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Cc1nc(S[C@@H](C)C(=O)N2CCN(c3nccs3)CC2)[n-]c(=O)c1C ZINC000019576769 530568549 /nfs/dbraw/zinc/56/85/49/530568549.db2.gz AHNPVLYQQVFDAN-LBPRGKRZSA-N -1 1 379.511 1.673 40 0 GDABMM Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-][C@@H](C)c1cccc(Br)c1 ZINC000020030472 530569503 /nfs/dbraw/zinc/56/95/03/530569503.db2.gz SGOQZZFTLNYANG-ZETCQYMHSA-N -1 1 388.243 1.174 40 0 GDABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCO)cc2)c1 ZINC000408588330 533620474 /nfs/dbraw/zinc/62/04/74/533620474.db2.gz FPBIPWRIEKIRMV-UHFFFAOYSA-N -1 1 394.449 1.373 40 0 GDABMM O=C(Cc1cccc(Cl)c1)N1CCc2c(=O)[n-]c(N3CCOCC3)nc2C1 ZINC000072346902 136168694 /nfs/dbraw/zinc/16/86/94/136168694.db2.gz XMJIKHFJRGJYBA-UHFFFAOYSA-N -1 1 388.855 1.387 40 0 GDABMM Cc1cccc(NC(=O)CN2C(=O)SC(=C3SC(=O)[N-]C3=O)C2=O)c1 ZINC000065090538 222099566 /nfs/dbraw/zinc/09/95/66/222099566.db2.gz UQGMPKOMHQEGMU-ZHACJKMWSA-N -1 1 377.403 1.824 40 0 GDABMM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](CC(=O)Nc1ccccc1)C(=O)[O-] ZINC000096305812 570228222 /nfs/dbraw/zinc/22/82/22/570228222.db2.gz OIHZDYDGFATIQO-IYBDPMFKSA-N -1 1 399.403 1.540 40 0 GDABMM CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC4)[n-]c(=O)c32)cc1 ZINC000038828329 570583741 /nfs/dbraw/zinc/58/37/41/570583741.db2.gz MWPKOPGXICGVDM-AWEZNQCLSA-N -1 1 395.419 1.637 40 0 GDABMM C[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)NCc1ccccc1)CC(=O)N2 ZINC000040389089 570599894 /nfs/dbraw/zinc/59/98/94/570599894.db2.gz VLKUDRYMHPWDPK-HIFRSBDPSA-N -1 1 395.463 1.891 40 0 GDABMM CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1cccnc1)CC2 ZINC000019498860 570991827 /nfs/dbraw/zinc/99/18/27/570991827.db2.gz OAPUTNLZGPNIRH-KRWDZBQOSA-N -1 1 395.463 1.827 40 0 GDABMM O=C(Cc1c[nH]c2ccccc12)N1CCc2c(=O)[n-]c(N3CCCC3)nc2C1 ZINC000012181472 221162909 /nfs/dbraw/zinc/16/29/09/221162909.db2.gz NCLAGQCLSAMTGG-UHFFFAOYSA-N -1 1 377.448 1.979 40 0 GDABMM Cc1nc(SCC(=O)Nc2ccccc2F)[n-]c(=O)c1CN1CCOCC1 ZINC000071195223 222178458 /nfs/dbraw/zinc/17/84/58/222178458.db2.gz LLDMNJVSDBNNOH-UHFFFAOYSA-N -1 1 392.456 1.780 40 0 GDABMM COc1ccc(Cl)cc1NC(=O)CSc1nc2nc(N)[nH]c(=O)c2[n-]1 ZINC000005639895 530539545 /nfs/dbraw/zinc/53/95/45/530539545.db2.gz HVGSQINZDKDKON-UHFFFAOYSA-N -1 1 380.817 1.621 40 0 GDABMM COc1ccc(Cl)cc1NC(=O)CSc1nc2c([n-]1)nc(N)[nH]c2=O ZINC000005639895 530539549 /nfs/dbraw/zinc/53/95/49/530539549.db2.gz HVGSQINZDKDKON-UHFFFAOYSA-N -1 1 380.817 1.621 40 0 GDABMM O=C([O-])c1ccc(CN2Cc3[nH]cnc3C[C@H]2C(=O)NCc2ccco2)cc1 ZINC000015676294 221340577 /nfs/dbraw/zinc/34/05/77/221340577.db2.gz MAEGPRAMJANJQY-SFHVURJKSA-N -1 1 380.404 1.944 40 0 biogenic,in-vitro GDABMM COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019593173 221435222 /nfs/dbraw/zinc/43/52/22/221435222.db2.gz NMUOCDWKMJASPI-INIZCTEOSA-N -1 1 388.468 1.155 40 0 GDABMM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)ccc1OC ZINC000408699236 528424993 /nfs/dbraw/zinc/42/49/93/528424993.db2.gz VRFLWADUWDUCHU-UHFFFAOYSA-N -1 1 377.422 1.943 40 0 GDABMM O=C([O-])c1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)cc1 ZINC000077264226 560046486 /nfs/dbraw/zinc/04/64/86/560046486.db2.gz JNSNCLJOELRKSY-FMKPAKJESA-N -1 1 376.434 1.094 40 0 biogenic,in-vitro GDABMM CC(=O)N1CCN(CC[C@H]2CN(C(=O)C(C)(C)C)CC[C@H]2CC(=O)[O-])CC1 ZINC000096416651 560060037 /nfs/dbraw/zinc/06/00/37/560060037.db2.gz CAYDOMAMEFCKMJ-IRXDYDNUSA-N -1 1 381.517 1.526 40 0 biogenic,in-vitro GDABMM