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CCC[C@@H](O)[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000412541959 419437640 /nfs/dbraw/zinc/43/76/40/419437640.db2.gz WAJDTESSJIGMNB-GHMZBOCLSA-N -1 3 331.394 -0.759 50 0 EBAAHM CN(Cc1cnn(-c2ccccc2)n1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000046831320 523510094 /nfs/dbraw/zinc/51/00/94/523510094.db2.gz NLKCXISDZOQWFL-LBPRGKRZSA-N -1 3 328.332 -0.176 50 0 EBAAHM C[C@@H]1CN(S(=O)(=O)[N-]CC(=O)Nc2ccccn2)C[C@@H](C)O1 ZINC000084706437 545883236 /nfs/dbraw/zinc/88/32/36/545883236.db2.gz VZMIRKHFSZNMPE-GHMZBOCLSA-N -1 3 328.394 -0.036 50 0 EBAAHM C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1cc(=O)[n-]c(=O)[nH]1)CC2 ZINC000072143834 649969704 /nfs/dbraw/zinc/96/97/04/649969704.db2.gz FSDQHOHPZDGBIV-JTQLQIEISA-N -1 3 336.348 -0.926 50 0 EBAAHM C[N@H+]1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1cc(=O)[n-]c(=O)[nH]1)CC2 ZINC000072143834 649969706 /nfs/dbraw/zinc/96/97/06/649969706.db2.gz FSDQHOHPZDGBIV-JTQLQIEISA-N -1 3 336.348 -0.926 50 0 EBAAHM Nc1cc(=O)[n-]c(CCNc2nccc(N3CCC[C@@H](O)C3)n2)n1 ZINC000065404190 719401801 /nfs/dbraw/zinc/40/18/01/719401801.db2.gz FLMLSLOXAJGLKV-SNVBAGLBSA-N -1 3 331.380 -0.242 50 0 EBAAHM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)CN1CCCN(C)CC1)C2 ZINC000067446587 215146680 /nfs/dbraw/zinc/14/66/80/215146680.db2.gz KLHFIVFMOUIFQS-UHFFFAOYSA-N -1 3 335.408 -0.360 50 0 EBAAHM CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](C)N)CC1)C(=O)[O-] ZINC000002138727 209823210 /nfs/dbraw/zinc/82/32/10/209823210.db2.gz LJARIAPEDVYXRL-ONGXEEELSA-N -1 3 331.438 -0.105 50 0 biogenic EBAAHM Cc1nc(CCNC(=O)CN2CC(=O)[N-]C2=O)nc2c1CCCC2 ZINC000215198543 241111975 /nfs/dbraw/zinc/11/19/75/241111975.db2.gz LXDJQYRCJBLMFB-UHFFFAOYSA-N -1 3 331.376 -0.126 50 0 EBAAHM Cc1cccnc1CN1CCN(C(=O)Cc2cc(=O)[n-]c(N)n2)CC1 ZINC000216157798 241171751 /nfs/dbraw/zinc/17/17/51/241171751.db2.gz ARNMMSYWWOJBAR-UHFFFAOYSA-N -1 3 342.403 -0.058 50 0 EBAAHM Cc1ncc(CO)c(CN2CCN(Cc3cn[nH]n3)C[C@@H](O)C2)c1[O-] ZINC000216975432 241229720 /nfs/dbraw/zinc/22/97/20/241229720.db2.gz KQNQRZLZTPXZJE-CQSZACIVSA-N -1 3 348.407 -0.615 50 0 EBAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1nc(N)nc(N(C)C)n1 ZINC000032809788 375981775 /nfs/dbraw/zinc/98/17/75/375981775.db2.gz CMXRMPIUMQVITH-UHFFFAOYSA-N -1 3 341.397 -0.354 50 0 EBAAHM O=C(CN1CCc2sccc2C1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000072290701 376031992 /nfs/dbraw/zinc/03/19/92/376031992.db2.gz KWYGPZWFUGSVKL-OAHLLOKOSA-N -1 3 334.401 -0.083 50 0 EBAAHM Cc1cc(=O)[n-]c(NCCNc2nccc(N3CC[C@@H](O)C3)n2)n1 ZINC000065466948 376224473 /nfs/dbraw/zinc/22/44/73/376224473.db2.gz FBNNIYAHVIZCSA-LLVKDONJSA-N -1 3 331.380 -0.037 50 0 EBAAHM CCN(C)S(=O)(=O)N1CCc2nc(N(C)C)[n-]c(=O)c2CC1 ZINC000065455524 376225280 /nfs/dbraw/zinc/22/52/80/376225280.db2.gz OHNBOGVNWWTHBZ-UHFFFAOYSA-N -1 3 329.426 -0.567 50 0 EBAAHM CCn1c(N)nc2cc(C(=O)NCCc3nc(N)cc(=O)[n-]3)cnc21 ZINC000077354643 376340913 /nfs/dbraw/zinc/34/09/13/376340913.db2.gz LETRNDSDGCOVIQ-UHFFFAOYSA-N -1 3 342.363 -0.329 50 0 EBAAHM Cc1nc(C)c(CC(=O)N2CCN(CCn3cncn3)CC2)c(=O)[n-]1 ZINC000077426036 376343941 /nfs/dbraw/zinc/34/39/41/376343941.db2.gz XYVFWXOTSRJOKG-UHFFFAOYSA-N -1 3 345.407 -0.635 50 0 EBAAHM CC(C)(C)c1cc(C(=O)N2CC[C@@]3(CC(=O)NC3=O)C2)[n-]c(=O)n1 ZINC000082098971 376373879 /nfs/dbraw/zinc/37/38/79/376373879.db2.gz QMBYTVHDLGKYRF-MRXNPFEDSA-N -1 3 332.360 -0.054 50 0 EBAAHM CCN(C(=O)COC(=O)c1[nH]c(=O)[n-]c(=O)c1N)c1ccccc1 ZINC000085584343 377377706 /nfs/dbraw/zinc/37/77/06/377377706.db2.gz UZYHGPCXMSFTKE-UHFFFAOYSA-N -1 3 332.316 -0.145 50 0 EBAAHM C[N-]S(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)OC)cn1 ZINC000591589548 377721214 /nfs/dbraw/zinc/72/12/14/377721214.db2.gz STWNLPJEECSFHM-VIFPVBQESA-N -1 3 345.402 -0.322 50 0 EBAAHM CN(C)S(=O)(=O)N1C[C@@H]2CN(Cc3ccoc3)C[C@]2(C(=O)[O-])C1 ZINC000091547223 218020541 /nfs/dbraw/zinc/02/05/41/218020541.db2.gz JIHJEOPGFQLCPR-JSGCOSHPSA-N -1 3 343.405 -0.096 50 0 EBAAHM CCn1c(C)nnc1SCCNC(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000092037765 218107993 /nfs/dbraw/zinc/10/79/93/218107993.db2.gz KFLFYYBVGKJOHY-SECBINFHSA-N -1 3 340.409 -0.197 50 0 EBAAHM COc1ccc(CNC(=O)COC(=O)c2cc(=O)[n-]c(=O)[nH]2)cc1 ZINC000003251119 379694311 /nfs/dbraw/zinc/69/43/11/379694311.db2.gz FZFOMMRJCAVUKT-UHFFFAOYSA-N -1 3 333.300 -0.455 50 0 EBAAHM NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000285364111 380243366 /nfs/dbraw/zinc/24/33/66/380243366.db2.gz NRKBXDDUFDGXMC-SFYZADRCSA-N -1 3 335.382 -0.549 50 0 EBAAHM CC(C)N1CCNC(=O)[C@H]1CC(=O)N1CCc2c(nc(N)[n-]c2=O)C1 ZINC000299788710 258094949 /nfs/dbraw/zinc/09/49/49/258094949.db2.gz WYLOHXUGZQSSTF-GFCCVEGCSA-N -1 3 348.407 -0.752 50 0 EBAAHM C[C@@H](Cn1cncn1)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000299228100 155150099 /nfs/dbraw/zinc/15/00/99/155150099.db2.gz DCQCLYOLWNCLLG-VIFPVBQESA-N -1 3 329.407 -0.177 50 0 EBAAHM Nc1nnc([C@@H](NC(=O)CN2CC(=O)[N-]C2=O)c2ccccc2)s1 ZINC000223548224 419248550 /nfs/dbraw/zinc/24/85/50/419248550.db2.gz YZBRVOXLMDSBCV-NSHDSACASA-N -1 3 346.372 -0.122 50 0 EBAAHM CCc1nc(S(=O)(=O)[N-][C@H]2[C@H]3CCO[C@H]3[C@@H]2NC(C)=O)c[nH]1 ZINC000223904560 419249176 /nfs/dbraw/zinc/24/91/76/419249176.db2.gz FXIYNNCHQVTKOW-GHORINQJSA-N -1 3 328.394 -0.458 50 0 EBAAHM Cc1nonc1CC(=O)NC1CCN(c2cc(=O)[n-]c(N)n2)CC1 ZINC000426701511 420656196 /nfs/dbraw/zinc/65/61/96/420656196.db2.gz XXSWOQOBNSUMFE-UHFFFAOYSA-N -1 3 333.352 -0.216 50 0 EBAAHM Cc1nn(C)c2ncnc(N3CCN(c4cc(=O)[n-]c(N)n4)CC3)c12 ZINC000072481528 282291200 /nfs/dbraw/zinc/29/12/00/282291200.db2.gz RRKLCNQNELLHRE-UHFFFAOYSA-N -1 3 341.379 -0.336 50 0 EBAAHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C)[C@@H]1CO ZINC000252486383 290797325 /nfs/dbraw/zinc/79/73/25/290797325.db2.gz HKWYZUFXRABRRU-QWRGUYRKSA-N -1 3 348.446 -0.014 50 0 EBAAHM CN1CCN(c2ncccc2CNC(=O)c2cc(=O)[n-]c(=O)[nH]2)CC1 ZINC000067947012 215256337 /nfs/dbraw/zinc/25/63/37/215256337.db2.gz YNIPJSJFCLMWEX-UHFFFAOYSA-N -1 3 344.375 -0.860 50 0 EBAAHM C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1c[nH]c(=O)[n-]c1=O)CC2 ZINC000072148120 216035549 /nfs/dbraw/zinc/03/55/49/216035549.db2.gz WVQZQPFHKLJZOO-JTQLQIEISA-N -1 3 336.348 -0.926 50 0 EBAAHM C[N@H+]1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1c[nH]c(=O)[n-]c1=O)CC2 ZINC000072148120 216035552 /nfs/dbraw/zinc/03/55/52/216035552.db2.gz WVQZQPFHKLJZOO-JTQLQIEISA-N -1 3 336.348 -0.926 50 0 EBAAHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCc1nc(Cc2ccccc2)no1 ZINC000215405441 241122499 /nfs/dbraw/zinc/12/24/99/241122499.db2.gz GGRANIRIRJYZRA-NSHDSACASA-N -1 3 343.343 -0.083 50 0 EBAAHM Cc1cnc(C)c(N2CCN(C(=O)CN3CC(=O)[N-]C3=O)CC2)n1 ZINC000215485213 241129358 /nfs/dbraw/zinc/12/93/58/241129358.db2.gz WOKFUJZLEWOXLV-UHFFFAOYSA-N -1 3 332.364 -0.706 50 0 EBAAHM O=C1CCCc2c1cnc1c2c(=O)[n-]c(=O)n1CCN1CCOCC1 ZINC000019818732 212072434 /nfs/dbraw/zinc/07/24/34/212072434.db2.gz DCJZJURLMOEAAJ-UHFFFAOYSA-N -1 3 344.371 -0.064 50 0 EBAAHM CCN1CCN(C[C@H](C)C[N-]S(=O)(=O)c2cn(C)cn2)CC1 ZINC000096428388 376200908 /nfs/dbraw/zinc/20/09/08/376200908.db2.gz NYXPECFQQPNILN-CYBMUJFWSA-N -1 3 329.470 -0.028 50 0 EBAAHM CCn1nc(C)c(CNC(=O)C(=O)Nc2c[nH]c(=O)[n-]c2=O)c1C ZINC000012389976 211366986 /nfs/dbraw/zinc/36/69/86/211366986.db2.gz DKISMDXLGOPNEQ-UHFFFAOYSA-N -1 3 334.336 -0.849 50 0 EBAAHM Cc1nn(C)c(C)c1CN(CCO)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000091325524 217994093 /nfs/dbraw/zinc/99/40/93/217994093.db2.gz WDEUQKBFMHYBGJ-GFCCVEGCSA-N -1 3 337.380 -0.654 50 0 EBAAHM CC(C)N1CCC[C@@]2(CCN(C(=O)CN3CC(=O)[N-]C3=O)C2)C1=O ZINC000091416787 218001804 /nfs/dbraw/zinc/00/18/04/218001804.db2.gz GQYXBWULDIOTCF-INIZCTEOSA-N -1 3 336.392 -0.212 50 0 EBAAHM CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1c[nH]c(=O)[n-]c1=O)CC2 ZINC000091664335 218043335 /nfs/dbraw/zinc/04/33/35/218043335.db2.gz JAKHJCKICGWPKE-NEPJUHHUSA-N -1 3 337.376 -0.616 50 0 EBAAHM O=C(COC(=O)c1ccc([O-])cc1O)N[C@@H]1CCS(=O)(=O)C1 ZINC000003362742 379702970 /nfs/dbraw/zinc/70/29/70/379702970.db2.gz QAWMJOQBJNJYSU-MRVPVSSYSA-N -1 3 329.330 -0.442 50 0 EBAAHM NCC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000002126038 379805528 /nfs/dbraw/zinc/80/55/28/379805528.db2.gz XSENZDPYJYTWNF-AWEZNQCLSA-N -1 3 333.388 -0.004 50 0 biogenic EBAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000322558424 380527600 /nfs/dbraw/zinc/52/76/00/380527600.db2.gz ILLUQFXMRYNXGO-SECBINFHSA-N -1 3 339.314 -0.128 50 0 EBAAHM COc1cccc(N2CCN(C(=O)C[C@H]3NC(=O)[N-]C3=O)CC2=O)c1 ZINC000082106905 132818549 /nfs/dbraw/zinc/81/85/49/132818549.db2.gz YAJQSHOUZSEVLY-GFCCVEGCSA-N -1 3 346.343 -0.532 50 0 EBAAHM CCOC(=O)COCCNC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000295616492 155069991 /nfs/dbraw/zinc/06/99/91/155069991.db2.gz HKCYQZPPIAZWJF-UHFFFAOYSA-N -1 3 345.377 -0.701 50 0 EBAAHM O=C(Cc1cnc[n-]c1=O)N1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000091452205 303658762 /nfs/dbraw/zinc/65/87/62/303658762.db2.gz KTRKBSWOYKBDPY-MRXNPFEDSA-N -1 3 334.376 -0.854 50 0 EBAAHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000091620871 545922700 /nfs/dbraw/zinc/92/27/00/545922700.db2.gz HTZQZEGZZVVKPU-QGZVFWFLSA-N -1 3 348.403 -0.211 50 0 EBAAHM O=C(CC[C@H]1NC(=O)[N-]C1=O)NCCNC(=O)c1ccc(F)cc1 ZINC000056290400 214368271 /nfs/dbraw/zinc/36/82/71/214368271.db2.gz QTQWHCNPJHLQGW-LLVKDONJSA-N -1 3 336.323 -0.340 50 0 EBAAHM C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCC(N)=O ZINC000003240886 209986077 /nfs/dbraw/zinc/98/60/77/209986077.db2.gz OGXSRHHNJMSEHJ-LURJTMIESA-N -1 3 344.374 -0.613 50 0 EBAAHM Cc1nc(CCNC(=O)c2cn(C)c(=O)[n-]c2=O)nc2c1CCC2 ZINC000215602462 241134298 /nfs/dbraw/zinc/13/42/98/241134298.db2.gz HPKBNRGSFBNERF-UHFFFAOYSA-N -1 3 329.360 -0.367 50 0 EBAAHM O=C(Cc1c[nH]c(=O)[n-]c1=O)NC[C@H]1CCCN(c2ncccn2)C1 ZINC000215650486 241136687 /nfs/dbraw/zinc/13/66/87/241136687.db2.gz CLMOTVZOJAABFG-LLVKDONJSA-N -1 3 344.375 -0.572 50 0 EBAAHM CCCn1nccc1S(=O)(=O)N1C[C@@H]2CN(C)C[C@]2(C(=O)[O-])C1 ZINC000096136393 376490073 /nfs/dbraw/zinc/49/00/73/376490073.db2.gz JKWSCUQHXXLEKM-FZMZJTMJSA-N -1 3 342.421 -0.070 50 0 EBAAHM O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1c[nH]c(=O)[n-]c1=O ZINC000012296679 211335749 /nfs/dbraw/zinc/33/57/49/211335749.db2.gz BRFKINUJOAZUCQ-UHFFFAOYSA-N -1 3 341.327 -0.158 50 0 biogenic 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