smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CNC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000014155292 230887339 /nfs/dbraw/zinc/88/73/39/230887339.db2.gz ULNRZZTVDDPQNK-INIZCTEOSA-N 0 0 390.505 2.783 40 0 GFABRN COC[C@@H](C)NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408702930 231099706 /nfs/dbraw/zinc/09/97/06/231099706.db2.gz KJGSYHUXRUHEKO-LLVKDONJSA-N 0 0 397.324 2.691 40 0 GFABRN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCc1ccco1 ZINC000408709919 231102745 /nfs/dbraw/zinc/10/27/45/231102745.db2.gz ZLQIABGRVFRRNK-UHFFFAOYSA-N 0 0 391.427 2.773 40 0 GFABRN CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2ccccc21 ZINC000408713109 231103608 /nfs/dbraw/zinc/10/36/08/231103608.db2.gz KLKUBLAPHNJSCC-UHFFFAOYSA-N 0 0 391.471 2.992 40 0 GFABRN Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1 ZINC000409155380 231172750 /nfs/dbraw/zinc/17/27/50/231172750.db2.gz IPLVGQRRHLTEAZ-UHFFFAOYSA-N 0 0 395.488 2.784 40 0 GFABRN COCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000409381233 231198555 /nfs/dbraw/zinc/19/85/55/231198555.db2.gz KWXKJXGAMRLZDV-UHFFFAOYSA-N 0 0 376.478 2.789 40 0 GFABRN CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCOC)c2)cc1 ZINC000408604371 529688927 /nfs/dbraw/zinc/68/89/27/529688927.db2.gz MAQAQFIESXHDPJ-UHFFFAOYSA-N 0 0 376.478 2.734 40 0 GFABRN CC[C@@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1cccnc1 ZINC000004858857 203792302 /nfs/dbraw/zinc/79/23/02/203792302.db2.gz BRBNPDGOYRACDB-DOMZBBRYSA-N 0 0 375.498 2.830 40 0 GFABRN CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004885506 204087469 /nfs/dbraw/zinc/08/74/69/204087469.db2.gz GSMHWGACMCKVET-KGYLXKDPSA-N 0 0 392.455 2.767 40 0 GFABRN CCOC(=O)[C@]1(C)N[C@@H](c2cccc(C)c2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004885495 204087505 /nfs/dbraw/zinc/08/75/05/204087505.db2.gz NKVDDHHSNMJOSL-KEXUJGGDSA-N 0 0 392.455 2.767 40 0 GFABRN COc1ccc(Cc2nnc(SCc3cccc(Cl)c3)n(N)c2=O)cc1 ZINC000005257176 204121934 /nfs/dbraw/zinc/12/19/34/204121934.db2.gz KVTVMWNCMSNQMK-UHFFFAOYSA-N 0 0 388.880 2.897 40 0 GFABRN COCCNC(=S)N1CCN(c2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000004967076 204097208 /nfs/dbraw/zinc/09/72/08/204097208.db2.gz GQDHSWUCZODSJY-UHFFFAOYSA-N 0 0 376.551 2.761 40 0 GFABRN Cc1cc2c(cc(C(=O)O[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)n2C)o1 ZINC000035315829 204168301 /nfs/dbraw/zinc/16/83/01/204168301.db2.gz ZYBRSAYQTLHAJR-GFCCVEGCSA-N 0 0 384.388 2.670 40 0 GFABRN Cc1cc2c(cc(C(=O)O[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)n2C)o1 ZINC000035315828 204169000 /nfs/dbraw/zinc/16/90/00/204169000.db2.gz ZYBRSAYQTLHAJR-LBPRGKRZSA-N 0 0 384.388 2.670 40 0 GFABRN COC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000005576662 204141003 /nfs/dbraw/zinc/14/10/03/204141003.db2.gz HPFJMAHZPKLVKD-UHFFFAOYSA-N 0 0 388.445 2.510 40 0 GFABRN C[C@@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1cccc(Br)c1 ZINC000005612124 204143685 /nfs/dbraw/zinc/14/36/85/204143685.db2.gz BHFFLYJYELUQRN-ZYHUDNBSSA-N 0 0 378.338 2.843 40 0 GFABRN CCCn1nnnc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000006462599 204180440 /nfs/dbraw/zinc/18/04/40/204180440.db2.gz RWYGDXHHVHXLBZ-UHFFFAOYSA-N 0 0 389.268 2.525 40 0 GFABRN Cc1nn(CC(=O)NCc2ccccc2F)c(=O)c2cc3cc(F)ccc3n21 ZINC000006749931 204199963 /nfs/dbraw/zinc/19/99/63/204199963.db2.gz JFMDQOSQZSIWDF-UHFFFAOYSA-N 0 0 382.370 2.552 40 0 GFABRN CCc1ccc(CNC(=O)Cn2nc(C)n3c(cc4cc(F)ccc43)c2=O)cc1 ZINC000006749937 204200265 /nfs/dbraw/zinc/20/02/65/204200265.db2.gz XKMKZKQAXCZAFV-UHFFFAOYSA-N 0 0 392.434 2.976 40 0 GFABRN C[C@H]1CC(=O)N=C(SC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)N1 ZINC000006932485 204225207 /nfs/dbraw/zinc/22/52/07/204225207.db2.gz QOLIGRPAGCTXNN-ZDUSSCGKSA-N 0 0 396.472 2.630 40 0 GFABRN Cn1c2nnc(SCC(=O)c3cc(F)ccc3F)n2c2ccccc2c1=O ZINC000008704634 204284895 /nfs/dbraw/zinc/28/48/95/204284895.db2.gz LMUUCYLKISCOAY-UHFFFAOYSA-N 0 0 386.383 2.834 40 0 GFABRN O=C(Nc1ccc(F)cc1)N[C@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000008156609 204264050 /nfs/dbraw/zinc/26/40/50/204264050.db2.gz BBNRVJSTUMJWKG-MRXNPFEDSA-N 0 0 381.404 2.897 40 0 GFABRN COc1cc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1OC ZINC000008361558 204274179 /nfs/dbraw/zinc/27/41/79/204274179.db2.gz RKGUQFCAXNDYMZ-UHFFFAOYSA-N 0 0 384.432 2.769 40 0 GFABRN COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)NC(C)C ZINC000008475920 204277944 /nfs/dbraw/zinc/27/79/44/204277944.db2.gz DGGMDSJCYYTOKM-UHFFFAOYSA-N 0 0 390.461 2.837 40 0 GFABRN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OC)[C@H](C)Nc3ncnn32)cc1 ZINC000036701542 204324627 /nfs/dbraw/zinc/32/46/27/204324627.db2.gz FZECIAXZDKRWLL-AGRHKRQWSA-N 0 0 393.447 2.954 40 0 GFABRN CC1(C)CC(=O)c2c(nc(N3CCN(C=O)CC3)nc2Nc2ccccc2)C1 ZINC000009937593 204327611 /nfs/dbraw/zinc/32/76/11/204327611.db2.gz IFUIQQLFINJDHT-UHFFFAOYSA-N 0 0 379.464 2.654 40 0 GFABRN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Br)ccc1OC ZINC000010008782 204329260 /nfs/dbraw/zinc/32/92/60/204329260.db2.gz SYRVIEQUZJDATK-UHFFFAOYSA-N 0 0 399.266 2.618 40 0 GFABRN CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000067896653 204301030 /nfs/dbraw/zinc/30/10/30/204301030.db2.gz AORXRAMAFAXISF-VQIMIIECSA-N 0 0 388.489 2.917 40 0 biogenic,in-vitro GFABRN COc1ccc(O[C@@H](C)C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000011710750 204351779 /nfs/dbraw/zinc/35/17/79/204351779.db2.gz FSPJCTKGUGWFGJ-ZDUSSCGKSA-N 0 0 375.421 2.805 40 0 GFABRN C[C@@H](C(=O)NCCc1ccccc1F)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181231 204378098 /nfs/dbraw/zinc/37/80/98/204378098.db2.gz CEQXJFVTQBDIIP-LBPRGKRZSA-N 0 0 386.452 2.613 40 0 GFABRN Cc1nn(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(=O)c2ccccc12 ZINC000012116082 204372234 /nfs/dbraw/zinc/37/22/34/204372234.db2.gz CJJOVWPDBNXVPR-IBGZPJMESA-N 0 0 387.443 2.945 40 0 GFABRN Cc1nn(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)c(=O)c2cc3sccc3n21 ZINC000012115280 204372741 /nfs/dbraw/zinc/37/27/41/204372741.db2.gz NQBQAPALSSGDQW-LSDHHAIUSA-N 0 0 378.457 2.691 40 0 GFABRN Cc1nn(CC(=O)N2c3ccccc3C[C@H]2C)c(=O)c2cc3ccsc3n21 ZINC000012114237 204372904 /nfs/dbraw/zinc/37/29/04/204372904.db2.gz KBLJFHJODDWCGC-GFCCVEGCSA-N 0 0 378.457 2.997 40 0 GFABRN O=C(Cn1ncn2c3ccoc3cc2c1=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000012117990 204373273 /nfs/dbraw/zinc/37/32/73/204373273.db2.gz PBDVGEZDTRGHDL-NRFANRHFSA-N 0 0 399.410 2.543 40 0 GFABRN Cc1sc2nc(C(C)C)n(C3CCN(CC(=O)N(C)C)CC3)c(=O)c2c1C ZINC000012145449 204375467 /nfs/dbraw/zinc/37/54/67/204375467.db2.gz IDJFHBSXVGPPJU-UHFFFAOYSA-N 0 0 390.553 2.923 40 0 GFABRN COc1cc(CN2c3ccccc3C(=O)N3CCC[C@@H]3C2=O)cc(OC)c1OC ZINC000012146251 204375764 /nfs/dbraw/zinc/37/57/64/204375764.db2.gz DCZXZUREZXZWAA-QGZVFWFLSA-N 0 0 396.443 2.864 40 0 GFABRN CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)C1(C)C ZINC000012186049 204379380 /nfs/dbraw/zinc/37/93/80/204379380.db2.gz UNNVXXLUQLPZLR-WBVHZDCISA-N 0 0 384.476 2.769 40 0 GFABRN CCc1nc(N2CCOCC2)ncc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000012194847 204380470 /nfs/dbraw/zinc/38/04/70/204380470.db2.gz PFFVWDRNXTXRAF-HNNXBMFYSA-N 0 0 380.492 2.855 40 0 GFABRN Cc1cc2oc(C(=O)NCCc3nnc(-c4ccncc4)[nH]3)cc(=O)c2cc1C ZINC000012197291 204380916 /nfs/dbraw/zinc/38/09/16/204380916.db2.gz ZBUIESXISMKSMO-UHFFFAOYSA-N 0 0 389.415 2.562 40 0 GFABRN COc1cc(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)nc2-c2ccco2)nc(OC)n1 ZINC000012240451 204386771 /nfs/dbraw/zinc/38/67/71/204386771.db2.gz MUEBETYJRRZKIW-BETUJISGSA-N 0 0 397.435 2.824 40 0 GFABRN CCOc1ccccc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019520076 204648509 /nfs/dbraw/zinc/64/85/09/204648509.db2.gz NEUVKPOOECPARE-IBGZPJMESA-N 0 0 394.475 2.757 40 0 GFABRN CC(=O)Nc1ccc(C(=O)N2CCC(O)(Cn3ncc4ccccc43)CC2)cc1 ZINC000019022292 204624299 /nfs/dbraw/zinc/62/42/99/204624299.db2.gz RGJKFHKLIRVOIQ-UHFFFAOYSA-N 0 0 392.459 2.662 40 0 GFABRN CNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CN(C(=O)C2CC2)CCO1 ZINC000019235345 204632702 /nfs/dbraw/zinc/63/27/02/204632702.db2.gz JGWPEFVTYKRZAS-DEOSSOPVSA-N 0 0 392.499 2.958 40 0 GFABRN Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)n1 ZINC000019285939 204635326 /nfs/dbraw/zinc/63/53/26/204635326.db2.gz VOTPDHVGRWVIRN-HNNXBMFYSA-N 0 0 383.496 2.725 40 0 GFABRN COc1ccc2c(c1)C[C@H]([C@H]1CCCCN1C(=O)Cc1ccccn1)C(=O)N2 ZINC000019562315 204656597 /nfs/dbraw/zinc/65/65/97/204656597.db2.gz GYYNNNVJHBJHOE-UYAOXDASSA-N 0 0 379.460 2.825 40 0 GFABRN Cc1nn(C)cc1C(=O)N1CC[C@H](n2nc(-c3cccs3)ccc2=O)[C@@H](C)C1 ZINC000019583438 204660636 /nfs/dbraw/zinc/66/06/36/204660636.db2.gz LXNKVZOOFFIRTA-GUYCJALGSA-N 0 0 397.504 2.737 40 0 GFABRN Cc1ccc2c(cc(C(=O)N3CCO[C@@](C)(C(=O)NC4CCCC4)C3)n2C)c1 ZINC000019746828 204679714 /nfs/dbraw/zinc/67/97/14/204679714.db2.gz JOAOGBPUXUPJQE-JOCHJYFZSA-N 0 0 383.492 2.777 40 0 GFABRN COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)c3snnc3C)CC2)c1 ZINC000019749714 204680935 /nfs/dbraw/zinc/68/09/35/204680935.db2.gz CNPICDIFFHYYPS-HNNXBMFYSA-N 0 0 388.493 2.622 40 0 GFABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000019867849 204689574 /nfs/dbraw/zinc/68/95/74/204689574.db2.gz LKSOQPWWEGSDRM-DFQSSKMNSA-N 0 0 390.549 2.842 40 0 GFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)ccc2C)cc1C ZINC000020013737 204696721 /nfs/dbraw/zinc/69/67/21/204696721.db2.gz JGPNEOKNTQYKFI-UHFFFAOYSA-N 0 0 380.441 2.710 40 0 GFABRN COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020011937 204696970 /nfs/dbraw/zinc/69/69/70/204696970.db2.gz RAFVLGMIGUMSNV-CYBMUJFWSA-N 0 0 396.896 2.847 40 0 GFABRN COc1ccccc1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000020483951 204721615 /nfs/dbraw/zinc/72/16/15/204721615.db2.gz SJDJTPBUYCBYGV-UHFFFAOYSA-N 0 0 388.489 2.733 40 0 GFABRN CC[C@@H](C)NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022230938 204777815 /nfs/dbraw/zinc/77/78/15/204777815.db2.gz AHEGGEOZQGHXQF-MRXNPFEDSA-N 0 0 390.505 2.946 40 0 GFABRN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000024345410 204819971 /nfs/dbraw/zinc/81/99/71/204819971.db2.gz TUTQAYFMDYRCFE-UHFFFAOYSA-N 0 0 388.445 2.709 40 0 GFABRN O=C(NCCCn1ccnc1)c1cc2cc(Br)ccc2oc1=O ZINC000036627528 205019539 /nfs/dbraw/zinc/01/95/39/205019539.db2.gz WIVRHHQXEDFKMW-UHFFFAOYSA-N 0 0 376.210 2.572 40 0 GFABRN COc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1OC ZINC000038755691 205038142 /nfs/dbraw/zinc/03/81/42/205038142.db2.gz MKNHOAYOAWLNNN-ZDUSSCGKSA-N 0 0 392.477 2.875 40 0 GFABRN Cc1ccccc1O[C@@H](C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000038771697 205038450 /nfs/dbraw/zinc/03/84/50/205038450.db2.gz WOXHYQJVUNHTBP-HNNXBMFYSA-N 0 0 388.489 2.602 40 0 GFABRN CCc1nn2c(nnc(C(=O)N3CCN(C)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000040384991 205063074 /nfs/dbraw/zinc/06/30/74/205063074.db2.gz LLLHMLXLUGUULP-UHFFFAOYSA-N 0 0 398.898 2.703 40 0 GFABRN O=C(NC1CCCCC1)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 ZINC000040399783 205064367 /nfs/dbraw/zinc/06/43/67/205064367.db2.gz OQHUDOYWVAWANE-AWEZNQCLSA-N 0 0 399.426 2.527 40 0 GFABRN COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000044885338 205087327 /nfs/dbraw/zinc/08/73/27/205087327.db2.gz NUBAFSIPPGIXRA-UHFFFAOYSA-N 0 0 388.489 2.551 40 0 GFABRN COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c(OC)c1 ZINC000044845155 205088271 /nfs/dbraw/zinc/08/82/71/205088271.db2.gz PVFAGTLAQXIZIB-UHFFFAOYSA-N 0 0 384.841 2.981 40 0 GFABRN C[C@@H](NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1)c1ccc(F)cc1 ZINC000044934309 205091057 /nfs/dbraw/zinc/09/10/57/205091057.db2.gz WVFCPKVCWJHAGY-ACJLOTCBSA-N 0 0 392.452 2.620 40 0 GFABRN COc1ccc(O[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1 ZINC000045403158 205098035 /nfs/dbraw/zinc/09/80/35/205098035.db2.gz RGGYQVDEZWZPTI-CYBMUJFWSA-N 0 0 375.421 2.805 40 0 GFABRN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000045866084 205098675 /nfs/dbraw/zinc/09/86/75/205098675.db2.gz KOMNZTVOVAYXLT-UHFFFAOYSA-N 0 0 379.381 2.910 40 0 GFABRN Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1OCC[NH+]1CCC(C)CC1 ZINC000057823203 205161083 /nfs/dbraw/zinc/16/10/83/205161083.db2.gz RAVXFAGZKLYXJR-UHFFFAOYSA-N 0 0 392.525 2.640 40 0 GFABRN CCc1nccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2ccncc2)C1 ZINC000072350639 205330646 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/nfs/dbraw/zinc/36/08/14/570360814.db2.gz VFXSLJSVLDRMLJ-UHFFFAOYSA-N 0 0 380.372 2.528 40 0 GFABRN CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000057316271 570360987 /nfs/dbraw/zinc/36/09/87/570360987.db2.gz KHHVFHKUCNIQSE-UHFFFAOYSA-N 0 0 390.553 2.994 40 0 GFABRN CCCCN(CCO)c1nc(N(C)C)nc2c1CCN(Cc1ccccc1)C2 ZINC000057731556 570371825 /nfs/dbraw/zinc/37/18/25/570371825.db2.gz CAFDNJAVCLZHKI-UHFFFAOYSA-N 0 0 383.540 2.700 40 0 GFABRN COc1cc(C)c(CN(CCN2CCOCC2)Cc2cccnc2)cc1OC ZINC000022931461 570379300 /nfs/dbraw/zinc/37/93/00/570379300.db2.gz JBEAKMFWFVRPBG-UHFFFAOYSA-N 0 0 385.508 2.742 40 0 GFABRN CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(C(=O)OC)=C1C ZINC000006654662 570379766 /nfs/dbraw/zinc/37/97/66/570379766.db2.gz IOUZEZVWPFROTL-KAMYIIQDSA-N 0 0 375.421 2.795 40 0 GFABRN CCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl ZINC000006879717 570383626 /nfs/dbraw/zinc/38/36/26/570383626.db2.gz LWUNFXXMKFPJHW-UHFFFAOYSA-N 0 0 396.896 2.724 40 0 GFABRN CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220637942 570389921 /nfs/dbraw/zinc/38/99/21/570389921.db2.gz KJNGWIASFHIRJZ-SFHVURJKSA-N 0 0 392.477 2.887 40 0 GFABRN Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C ZINC000222442164 570410898 /nfs/dbraw/zinc/41/08/98/570410898.db2.gz UGESVPDSOUSBLN-OAHLLOKOSA-N 0 0 390.505 2.897 40 0 GFABRN CCn1cc(C(=O)NCc2ccc(OC)cc2OC)c(=O)c2ccc(C)nc21 ZINC000001364953 570413773 /nfs/dbraw/zinc/41/37/73/570413773.db2.gz OURBLFLYMVDPMA-UHFFFAOYSA-N 0 0 381.432 2.672 40 0 GFABRN COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000222540490 570414059 /nfs/dbraw/zinc/41/40/59/570414059.db2.gz RXTFBBYSOLUFLP-MRXNPFEDSA-N 0 0 388.489 2.759 40 0 GFABRN COc1cccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)[nH]n2)c1 ZINC000038490011 570421811 /nfs/dbraw/zinc/42/18/11/570421811.db2.gz ZSYDXUJUQQCHLR-GOEBONIOSA-N 0 0 390.443 2.507 40 0 GFABRN CC(=O)c1ccc(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000057449772 570426379 /nfs/dbraw/zinc/42/63/79/570426379.db2.gz NVJXGHANXHKCFJ-UHFFFAOYSA-N 0 0 377.488 2.991 40 0 GFABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cccc(C)c1C ZINC000222870270 570429543 /nfs/dbraw/zinc/42/95/43/570429543.db2.gz UTEZPOUPDLYXRH-KRWDZBQOSA-N 0 0 384.476 2.854 40 0 GFABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(F)cc1 ZINC000222937933 570432298 /nfs/dbraw/zinc/43/22/98/570432298.db2.gz RIUIJZDKBSCUKE-GOSISDBHSA-N 0 0 394.468 2.695 40 0 GFABRN CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000223047599 570439971 /nfs/dbraw/zinc/43/99/71/570439971.db2.gz FOKTWEOGOJFVSQ-FCHUYYIVSA-N 0 0 380.488 2.942 40 0 GFABRN COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1 ZINC000223122844 570444603 /nfs/dbraw/zinc/44/46/03/570444603.db2.gz HTPGTNSSANMPFX-UHFFFAOYSA-N 0 0 382.460 2.872 40 0 GFABRN CCOC(=O)[C@H]1CC(=O)N(c2cc(C)c(I)c(C)c2)C1 ZINC000045889686 570458685 /nfs/dbraw/zinc/45/86/85/570458685.db2.gz KVQQUFOJYCJQSF-NSHDSACASA-N 0 0 387.217 2.824 40 0 GFABRN COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000008158391 570466274 /nfs/dbraw/zinc/46/62/74/570466274.db2.gz KSNLUYLMYFPNLF-UHFFFAOYSA-N 0 0 388.367 2.631 40 0 GFABRN CC[C@H](Oc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000030064048 570486127 /nfs/dbraw/zinc/48/61/27/570486127.db2.gz WGXYHVAFSLBRBK-IBGZPJMESA-N 0 0 388.489 2.684 40 0 GFABRN Cc1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000030758640 570495681 /nfs/dbraw/zinc/49/56/81/570495681.db2.gz GDCGVWDZOTUOGL-MRXNPFEDSA-N 0 0 380.853 2.814 40 0 GFABRN Cn1c(Cc2ccccc2)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000000904510 570515575 /nfs/dbraw/zinc/51/55/75/570515575.db2.gz WHQNEWUFLCMMRI-UHFFFAOYSA-N 0 0 396.472 2.543 40 0 GFABRN O=C(c1cc(C2CC2)on1)N1CC2(C1)OCC[C@@H]2CCOCc1ccccn1 ZINC000575405736 570522037 /nfs/dbraw/zinc/52/20/37/570522037.db2.gz ZOMZFMGJXAQAFL-INIZCTEOSA-N 0 0 383.448 2.785 40 0 GFABRN CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CC(=O)N2CCC(F)(F)CC2)C1 ZINC000575406815 570522679 /nfs/dbraw/zinc/52/26/79/570522679.db2.gz UTYYEWGTQHCIJL-INIZCTEOSA-N 0 0 382.455 2.850 40 0 GFABRN O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(CN2CCOCC2)c1 ZINC000224730280 570527406 /nfs/dbraw/zinc/52/74/06/570527406.db2.gz XENKOELONIDWBN-UHFFFAOYSA-N 0 0 394.924 2.792 40 0 GFABRN COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cc1OC ZINC000000916964 570533487 /nfs/dbraw/zinc/53/34/87/570533487.db2.gz PFPNLUCXNIHBMS-UHFFFAOYSA-N 0 0 388.449 2.501 40 0 GFABRN Cc1cc(C)cc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1 ZINC000000932408 570541688 /nfs/dbraw/zinc/54/16/88/570541688.db2.gz DYCCPZRLWKFEHG-UHFFFAOYSA-N 0 0 383.433 2.739 40 0 GFABRN C[C@H]1Cc2ccccc2N1C(=O)CN(Cc1ccccc1F)S(C)(=O)=O ZINC000225303596 570563391 /nfs/dbraw/zinc/56/33/91/570563391.db2.gz NREIANBWBDDNMY-AWEZNQCLSA-N 0 0 376.453 2.565 40 0 GFABRN Cc1ccc(CN2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3)CC2=O)cc1 ZINC000028609439 570569746 /nfs/dbraw/zinc/56/97/46/570569746.db2.gz CDPWSHQHOPLHMH-GOSISDBHSA-N 0 0 380.444 2.834 40 0 GFABRN COc1cc(NC(=O)CSc2nnnn2C2CCCCC2)cc(OC)c1 ZINC000001340441 570570619 /nfs/dbraw/zinc/57/06/19/570570619.db2.gz QPOBRADUACNVLN-UHFFFAOYSA-N 0 0 377.470 2.926 40 0 GFABRN COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(Cl)cc3)cc2c1 ZINC000001366744 570579671 /nfs/dbraw/zinc/57/96/71/570579671.db2.gz UAHKUNHJBOSZLW-UHFFFAOYSA-N 0 0 386.835 2.825 40 0 GFABRN Cc1ccc2c(c1)cc(CN(C[C@@H]1CCCO1)C(=O)C(F)(F)F)c1nnnn12 ZINC000001376954 570581803 /nfs/dbraw/zinc/58/18/03/570581803.db2.gz SBQLYKGOMXLGJW-AWEZNQCLSA-N 0 0 393.369 2.656 40 0 GFABRN COc1cccc(C(=O)Nc2nnc(SCC(=O)NC3CCCC3)s2)c1 ZINC000001381532 570584258 /nfs/dbraw/zinc/58/42/58/570584258.db2.gz DHZZIQRVBGKTSZ-UHFFFAOYSA-N 0 0 392.506 2.950 40 0 GFABRN CC(C)(C)NC(=O)CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1 ZINC000004848223 570634281 /nfs/dbraw/zinc/63/42/81/570634281.db2.gz RGUUZPDVOUJRRY-UHFFFAOYSA-N 0 0 396.491 2.744 40 0 GFABRN CCN(CC)C(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C ZINC000004859083 570639710 /nfs/dbraw/zinc/63/97/10/570639710.db2.gz HDQSTCRHELDKEK-UHFFFAOYSA-N 0 0 376.526 2.912 40 0 GFABRN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1OC)CC(=O)N2 ZINC000004944430 570645761 /nfs/dbraw/zinc/64/57/61/570645761.db2.gz SMKBQCJIJGDOTG-GFCCVEGCSA-N 0 0 375.450 2.763 40 0 GFABRN Cn1c(C(=O)O[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc2sccc21 ZINC000004923957 570648841 /nfs/dbraw/zinc/64/88/41/570648841.db2.gz HBMYNVJUXAQLCB-RDTXWAMCSA-N 0 0 399.472 2.828 40 0 GFABRN O=C(NCc1c(F)cccc1Cl)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000005000167 570650935 /nfs/dbraw/zinc/65/09/35/570650935.db2.gz BSTSFMYMNVHQLV-SUMWQHHRSA-N 0 0 391.830 2.763 40 0 GFABRN O=c1/c(=C\c2ccco2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000005666119 570665970 /nfs/dbraw/zinc/66/59/70/570665970.db2.gz VQLHHFPYONZRRL-WORNYLJVSA-N 0 0 385.448 2.959 40 0 GFABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000260508173 570684841 /nfs/dbraw/zinc/68/48/41/570684841.db2.gz PXQMBAISIJERMH-FUHWJXTLSA-N 0 0 382.526 2.570 40 0 GFABRN CC1=C(C(N)=O)[C@@H](c2ccccc2)N=C(SCC(=O)Nc2ccccc2)N1 ZINC000408992520 570690615 /nfs/dbraw/zinc/69/06/15/570690615.db2.gz TVHMUOIBXYGMTG-GOSISDBHSA-N 0 0 380.473 2.818 40 0 GFABRN CCOc1ccc(N(CC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000260796089 570706404 /nfs/dbraw/zinc/70/64/04/570706404.db2.gz SXYWBFTVLSVZDT-INIZCTEOSA-N 0 0 390.505 2.771 40 0 GFABRN COc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)c(C)c1 ZINC000260836352 570709559 /nfs/dbraw/zinc/70/95/59/570709559.db2.gz OMQMNJAFFVPXGC-JXFKEZNVSA-N 0 0 386.473 2.546 40 0 GFABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 ZINC000260925559 570714432 /nfs/dbraw/zinc/71/44/32/570714432.db2.gz VPEFHGBPGMRCOS-ATZDWAIDSA-N 0 0 386.521 2.681 40 0 GFABRN CCS(=O)(=O)C(Br)(Br)[C@@H](O)c1cccc(F)c1 ZINC000096520909 570755519 /nfs/dbraw/zinc/75/55/19/570755519.db2.gz XMQVRQOLWRVFLU-VIFPVBQESA-N 0 0 390.068 2.737 40 0 GFABRN COC(=O)c1c2c(sc1NC(=O)c1c(OC)cccc1OC)CN(C)CC2 ZINC000004223499 570726912 /nfs/dbraw/zinc/72/69/12/570726912.db2.gz VFONCEFEOHRTRK-UHFFFAOYSA-N 0 0 390.461 2.792 40 0 GFABRN CCOCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000006957742 570753690 /nfs/dbraw/zinc/75/36/90/570753690.db2.gz CCUQGMVHSLZJTB-UHFFFAOYSA-N 0 0 396.553 2.555 40 0 GFABRN COC(=O)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1 ZINC000013547073 570757477 /nfs/dbraw/zinc/75/74/77/570757477.db2.gz MKAZPIRBSVLULF-GDNBJRDFSA-N 0 0 397.843 2.806 40 0 GFABRN COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OC ZINC000008163809 570767371 /nfs/dbraw/zinc/76/73/71/570767371.db2.gz RTDWBHCNUMDYQS-CSKARUKUSA-N 0 0 396.443 2.828 40 0 GFABRN O=C(Nc1ccc2ccccc2c1)[C@H]1CC(=O)Nc2nc(C(F)(F)F)nn21 ZINC000008559326 570770811 /nfs/dbraw/zinc/77/08/11/570770811.db2.gz GHWXRLYWVFZLPQ-GFCCVEGCSA-N 0 0 375.310 2.972 40 0 GFABRN CCN(CC)C(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013678187 570772744 /nfs/dbraw/zinc/77/27/44/570772744.db2.gz HECHGSJAUODATE-LJQANCHMSA-N 0 0 388.489 2.652 40 0 GFABRN CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000013711090 570777443 /nfs/dbraw/zinc/77/74/43/570777443.db2.gz WVLGLBMSYXQTRF-KRWDZBQOSA-N 0 0 392.477 2.887 40 0 GFABRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccccc1)S(C)(=O)=O ZINC000013711412 570777540 /nfs/dbraw/zinc/77/75/40/570777540.db2.gz NGCIQHHFAOSFQJ-INIZCTEOSA-N 0 0 390.461 2.641 40 0 GFABRN CC[C@@H](C(=O)Nc1cccc(NC(C)=O)c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711701 570778082 /nfs/dbraw/zinc/77/80/82/570778082.db2.gz DNTPNTBRTJSCCE-SFHVURJKSA-N 0 0 389.477 2.828 40 0 GFABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1cccc(C)n1 ZINC000261365289 570788526 /nfs/dbraw/zinc/78/85/26/570788526.db2.gz RDQAVFWBFRNBJN-IBGZPJMESA-O 0 0 394.480 2.866 40 0 GFABRN CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1C ZINC000010443075 570790496 /nfs/dbraw/zinc/79/04/96/570790496.db2.gz GZZLXUQAAHTFII-UHFFFAOYSA-N 0 0 390.461 2.820 40 0 GFABRN CCOc1ccc(N([C@H](C)C(=O)NCc2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000010447888 570790536 /nfs/dbraw/zinc/79/05/36/570790536.db2.gz RBYCFIPUDKCDAL-MRXNPFEDSA-N 0 0 390.505 2.865 40 0 GFABRN CCN(c1ccc(C(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 ZINC000260566866 570828164 /nfs/dbraw/zinc/82/81/64/570828164.db2.gz YTYGDFCQRTVPPT-GOSISDBHSA-N 0 0 388.489 2.811 40 0 GFABRN C[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ncnn21)Cn1cccn1 ZINC000036619377 570893449 /nfs/dbraw/zinc/89/34/49/570893449.db2.gz PPBKVILQUQSVST-ZDUSSCGKSA-N 0 0 395.854 2.707 40 0 GFABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccccc1F ZINC000014608291 570894068 /nfs/dbraw/zinc/89/40/68/570894068.db2.gz BOORDYJDEKOFBP-HNNXBMFYSA-N 0 0 380.375 2.925 40 0 GFABRN Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cnccn4)o3)CC2)cn1 ZINC000257281274 570902699 /nfs/dbraw/zinc/90/26/99/570902699.db2.gz OOJVYKTUFCCRLK-SHTZXODSSA-N 0 0 378.436 2.934 40 0 GFABRN COc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000015593308 570906441 /nfs/dbraw/zinc/90/64/41/570906441.db2.gz RPRUMBNDOIWCDL-UHFFFAOYSA-N 0 0 380.510 2.932 40 0 GFABRN COc1cc(NC(=S)NC(=O)C(C)C)ccc1N1C(=O)c2ccccc2C1=O ZINC000017081265 570919024 /nfs/dbraw/zinc/91/90/24/570919024.db2.gz NFAKIDHRZHWJRM-UHFFFAOYSA-N 0 0 397.456 2.965 40 0 GFABRN COCC[C@H]1Cn2cccc2CN(S(=O)(=O)c2ccc(C)cc2OC)C1 ZINC000585095459 570921777 /nfs/dbraw/zinc/92/17/77/570921777.db2.gz ROPRIEYBOFVJGB-INIZCTEOSA-N 0 0 378.494 2.662 40 0 GFABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1ccccc1 ZINC000016479962 570926165 /nfs/dbraw/zinc/92/61/65/570926165.db2.gz DFRRFBIYRGWSNH-UHFFFAOYSA-N 0 0 388.489 2.603 40 0 GFABRN CC(C)OCCCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016575535 570928323 /nfs/dbraw/zinc/92/83/23/570928323.db2.gz TUSUZNZIXQJFLF-UHFFFAOYSA-N 0 0 397.324 2.545 40 0 GFABRN CN(C)C(=O)[C@@H]1OC2(CCN(C(=O)Cc3ccccc3)CC2)c2ccccc21 ZINC000585109602 570938064 /nfs/dbraw/zinc/93/80/64/570938064.db2.gz CURVMKCHJWCECO-OAQYLSRUSA-N 0 0 378.472 2.907 40 0 GFABRN COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(c3cc(C(F)(F)F)ncn3)C[C@@H]21 ZINC000585109795 570938397 /nfs/dbraw/zinc/93/83/97/570938397.db2.gz VALDLWYKLJVYII-SUNYJGFJSA-N 0 0 392.381 2.533 40 0 GFABRN O=C(c1ccnc(F)c1)N1CC[C@@H]2OCCC[C@@]2(COCc2ccncc2)C1 ZINC000585108507 570940179 /nfs/dbraw/zinc/94/01/79/570940179.db2.gz PKUMBDONBXLHCB-RXVVDRJESA-N 0 0 385.439 2.844 40 0 GFABRN COc1ccc(CN2CCc3oc(C(=O)N4C[C@H](C)C[C@H](C)C4)nc3C2)nc1 ZINC000585113031 570943317 /nfs/dbraw/zinc/94/33/17/570943317.db2.gz XNOILNAQZNKEOP-GASCZTMLSA-N 0 0 384.480 2.755 40 0 GFABRN O=C(COc1ccc(F)cc1)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 ZINC000585111288 570945535 /nfs/dbraw/zinc/94/55/35/570945535.db2.gz MSNXDBZBXRWIJC-HXUWFJFHSA-N 0 0 395.434 2.880 40 0 GFABRN CCC(=O)[C@]12CCCC1=NC(=N)N=C2C1=NC(=N)N=C2CCC[C@]21C(=O)CC ZINC000018032018 570949890 /nfs/dbraw/zinc/94/98/90/570949890.db2.gz LRKAYJHJRHUKJN-BGYRXZFFSA-N 0 0 380.452 2.946 40 0 GFABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NC(C)C)N1C(=O)c2ccccc2C1=O ZINC000020573070 570951747 /nfs/dbraw/zinc/95/17/47/570951747.db2.gz DDYNJFBOZOLEPT-GOSISDBHSA-N 0 0 393.443 2.838 40 0 GFABRN Cc1cc2c(o1)c1cnn(CC(=O)N[C@H](C)CCc3ccco3)c(=O)c1n2C ZINC000019125937 570957812 /nfs/dbraw/zinc/95/78/12/570957812.db2.gz GGLUCUNGRCQYHX-GFCCVEGCSA-N 0 0 382.420 2.520 40 0 GFABRN Cc1cc(-c2cnc(NCCN3CCOCC3)nc2-c2cccnc2C)on1 ZINC000019124053 570957969 /nfs/dbraw/zinc/95/79/69/570957969.db2.gz GDENUPHRXJOCEN-UHFFFAOYSA-N 0 0 380.452 2.555 40 0 GFABRN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[NH2+]C4)C2)c(C)c1 ZINC000019132712 570958562 /nfs/dbraw/zinc/95/85/62/570958562.db2.gz AXCJTLDZKQPVEQ-ZWKOTPCHSA-N 0 0 394.519 2.913 40 0 GFABRN COc1ccc(CC(=O)N2CCC[C@H]2c2ccnc3cc(C)nn32)cc1OC ZINC000019130742 570958593 /nfs/dbraw/zinc/95/85/93/570958593.db2.gz JKDARWRNWDRCPQ-INIZCTEOSA-N 0 0 380.448 2.961 40 0 GFABRN CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)Oc2ccccc21 ZINC000250242987 570960518 /nfs/dbraw/zinc/96/05/18/570960518.db2.gz MSYORMAEYGGTKZ-FZKQIMNGSA-N 0 0 392.452 2.620 40 0 GFABRN Cc1nn(C[C@@H](C)C(=O)N2CCCN(Cc3cccc(C)n3)CC2)c(C)c1C ZINC000019236261 570966183 /nfs/dbraw/zinc/96/61/83/570966183.db2.gz UMUJLSMEMHVRKC-MRXNPFEDSA-N 0 0 383.540 2.882 40 0 GFABRN Cc1ccn(CCC(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)n1 ZINC000019238055 570967187 /nfs/dbraw/zinc/96/71/87/570967187.db2.gz QKJCVBMGLPVTDI-KRWDZBQOSA-N 0 0 391.475 2.635 40 0 GFABRN Cn1cc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)ccc1=O ZINC000019290503 570971986 /nfs/dbraw/zinc/97/19/86/570971986.db2.gz PTBKRMGNKLQBEX-MRXNPFEDSA-N 0 0 396.472 2.565 40 0 GFABRN O=C(COc1ccc(NC(=O)c2ccn(C(F)F)n2)cc1)N1CCCCC1 ZINC000019335556 570975898 /nfs/dbraw/zinc/97/58/98/570975898.db2.gz ZOIDJWNTRBYCBK-UHFFFAOYSA-N 0 0 378.379 2.922 40 0 GFABRN O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1cc3c(cc1Cl)OCO3)C2 ZINC000019402311 570982752 /nfs/dbraw/zinc/98/27/52/570982752.db2.gz DTQZKTIXINHBOH-UHFFFAOYSA-N 0 0 396.834 2.772 40 0 GFABRN CC(C)c1cc(C(=O)Nc2ccc(OCC(=O)N3CCCCC3)cc2)[nH]c(=O)n1 ZINC000019452487 570986296 /nfs/dbraw/zinc/98/62/96/570986296.db2.gz YULAMKVNOPEIPG-UHFFFAOYSA-N 0 0 398.463 2.537 40 0 GFABRN COC[C@@H](C)NC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCOCC1 ZINC000019456608 570987229 /nfs/dbraw/zinc/98/72/29/570987229.db2.gz XUMKEBQFNJUXBD-CQSZACIVSA-N 0 0 376.428 2.971 40 0 GFABRN CSc1nnc([C@@H]2CCCN2C(=O)[C@H](C)Cn2cnc3ccccc32)n1C ZINC000019457734 570987541 /nfs/dbraw/zinc/98/75/41/570987541.db2.gz WSSCCLNEPJXLDW-CJNGLKHVSA-N 0 0 384.509 2.887 40 0 GFABRN CSc1nnc([C@H]2CCCN2C(=O)[C@@H](C)Cn2cnc3ccccc32)n1C ZINC000019457732 570987580 /nfs/dbraw/zinc/98/75/80/570987580.db2.gz WSSCCLNEPJXLDW-XJKSGUPXSA-N 0 0 384.509 2.887 40 0 GFABRN CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)cn1 ZINC000019525045 570996760 /nfs/dbraw/zinc/99/67/60/570996760.db2.gz BYYXDTFLPNRSBZ-CYBMUJFWSA-N 0 0 393.494 2.849 40 0 GFABRN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(C(=O)c3ccccc3OC)C[C@@H]12 ZINC000019528276 570998296 /nfs/dbraw/zinc/99/82/96/570998296.db2.gz LHFKYFPODYGRPT-XXBNENTESA-N 0 0 392.455 2.885 40 0 GFABRN CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCN(CC(C)=O)C1 ZINC000019530011 570998510 /nfs/dbraw/zinc/99/85/10/570998510.db2.gz AJRANGSYDNTGTF-KKSFZXQISA-N 0 0 390.455 2.943 40 0 GFABRN CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)C(C)C)CCO1 ZINC000019529206 570998594 /nfs/dbraw/zinc/99/85/94/570998594.db2.gz UBKRPOCHZNUNMC-HSZRJFAPSA-N 0 0 395.503 2.681 40 0 GFABRN CCOc1ccc(-n2nnc(C(=O)N(C)Cc3c(C)nn(C)c3C)c2C)cc1 ZINC000019533640 570999764 /nfs/dbraw/zinc/99/97/64/570999764.db2.gz RHNORZCNACEJQV-UHFFFAOYSA-N 0 0 382.468 2.597 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cc1 ZINC000019557019 571003891 /nfs/dbraw/zinc/00/38/91/571003891.db2.gz GTKUZEPMFXDQDC-UHFFFAOYSA-N 0 0 390.509 2.581 40 0 GFABRN COc1ccc2sc(NC(=O)[C@@H]3CC(=O)N(Cc4ccncc4)C3)nc2c1 ZINC000019563717 571006327 /nfs/dbraw/zinc/00/63/27/571006327.db2.gz UBKUJKCBHUPVHY-CYBMUJFWSA-N 0 0 382.445 2.687 40 0 GFABRN COc1ccccc1-c1nnc2n1[C@H]1CN(C(=O)c3cccnc3)C[C@H]1CC2 ZINC000019571908 571010231 /nfs/dbraw/zinc/01/02/31/571010231.db2.gz ARABHTWHRMGWEX-WBVHZDCISA-N 0 0 375.432 2.608 40 0 GFABRN Cc1cc(C)n(CC(=O)N2CCC(c3noc4cc(F)ccc43)CC2)c(=O)n1 ZINC000019572320 571010317 /nfs/dbraw/zinc/01/03/17/571010317.db2.gz QOAQOWXWLLHMKD-UHFFFAOYSA-N 0 0 384.411 2.547 40 0 GFABRN Cc1cc(C)n(C[C@H](C)NC(=O)[C@H](c2ccc(Cl)cc2)N2CCOCC2)n1 ZINC000019573631 571010817 /nfs/dbraw/zinc/01/08/17/571010817.db2.gz VVWBYUHHYOHWED-KXBFYZLASA-N 0 0 390.915 2.732 40 0 GFABRN COCc1ccc(C(=O)NCc2cc(N(C)C)nc(-c3ccncc3)n2)cc1 ZINC000019584646 571015326 /nfs/dbraw/zinc/01/53/26/571015326.db2.gz OPBQDODOMPIXDN-UHFFFAOYSA-N 0 0 377.448 2.681 40 0 GFABRN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000019655031 571022770 /nfs/dbraw/zinc/02/27/70/571022770.db2.gz VXEWJJFXFIHDHC-GOSISDBHSA-N 0 0 392.846 2.849 40 0 GFABRN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000019655067 571022848 /nfs/dbraw/zinc/02/28/48/571022848.db2.gz FJLMZFBNBPKLHM-ZDUSSCGKSA-N 0 0 392.452 2.944 40 0 GFABRN COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)N(C)CCC3)cc1 ZINC000019661707 571026277 /nfs/dbraw/zinc/02/62/77/571026277.db2.gz CJYCNUONSLXRQF-UHFFFAOYSA-N 0 0 388.489 2.880 40 0 GFABRN Cc1cccc(-c2noc([C@H](C)NC(=O)c3cnc4c(C)cccn4c3=O)n2)c1 ZINC000019663152 571026591 /nfs/dbraw/zinc/02/65/91/571026591.db2.gz KGKRYSLTEQWEGY-AWEZNQCLSA-N 0 0 389.415 2.852 40 0 GFABRN Cc1cccc(-c2noc([C@H](C)NC(=O)CCc3c(C)nc(N)nc3C)n2)c1 ZINC000019665560 571027338 /nfs/dbraw/zinc/02/73/38/571027338.db2.gz SJMMDWBPOOZUMM-AWEZNQCLSA-N 0 0 380.452 2.844 40 0 GFABRN O=C(CCn1cnnn1)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000019690483 571029116 /nfs/dbraw/zinc/02/91/16/571029116.db2.gz VXUPDLNJSPFQLO-UHFFFAOYSA-N 0 0 394.454 2.594 40 0 GFABRN Cc1ncc(C(=O)NCc2ccccc2)c(CCNC(=O)[C@@H]2CC=CCC2)n1 ZINC000019697301 571030458 /nfs/dbraw/zinc/03/04/58/571030458.db2.gz KVGUDWUQZWNHCI-GOSISDBHSA-N 0 0 378.476 2.730 40 0 GFABRN Cc1cccc(C)c1OCC(=O)N1CCc2nnc([C@@H]3CCCCN3C)n2CC1 ZINC000019706441 571032339 /nfs/dbraw/zinc/03/23/39/571032339.db2.gz UTWHTMNJPAFSNW-SFHVURJKSA-N 0 0 397.523 2.515 40 0 GFABRN Cc1ccccc1OCCC(=O)N1CCc2nnc([C@@H]3CCCCN3C)n2CC1 ZINC000019706445 571032458 /nfs/dbraw/zinc/03/24/58/571032458.db2.gz PQKCONKUZLRKII-SFHVURJKSA-N 0 0 397.523 2.597 40 0 GFABRN Cc1nc(C)c(S(=O)(=O)N[C@H](CCN2CCOCC2)c2ccccc2)s1 ZINC000019715985 571037700 /nfs/dbraw/zinc/03/77/00/571037700.db2.gz DKIIMAVBLHJKBU-QGZVFWFLSA-N 0 0 395.550 2.502 40 0 GFABRN CN(C)c1nc(-c2cccc(F)c2)nc2c1CN(C(=O)c1cccnc1)CC2 ZINC000096058574 571098437 /nfs/dbraw/zinc/09/84/37/571098437.db2.gz MWPHTLFZCCJUSL-UHFFFAOYSA-N 0 0 377.423 2.942 40 0 GFABRN CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl ZINC000006946795 654459429 /nfs/dbraw/zinc/45/94/29/654459429.db2.gz FZEROQYFYHXRSL-ZDUSSCGKSA-N 0 0 390.933 2.958 40 0 GFABRN COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(OC)c1 ZINC000106765719 231019184 /nfs/dbraw/zinc/01/91/84/231019184.db2.gz ADIXQPGMRAXQOK-YBEGLDIGSA-N 0 0 390.461 2.753 40 0 GFABRN O=c1/c(=C\c2ccc(Sc3ncccn3)o2)sc2nc3ccccc3n12 ZINC000109974486 231021135 /nfs/dbraw/zinc/02/11/35/231021135.db2.gz OTVOBPLKOAXTBM-GXDHUFHOSA-N 0 0 378.438 2.991 40 0 GFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1C ZINC000408551724 231058179 /nfs/dbraw/zinc/05/81/79/231058179.db2.gz ILLABEXTJSPWNJ-ZDUSSCGKSA-N 0 0 396.896 2.640 40 0 GFABRN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC2CC2)CC1=O ZINC000408616187 231081090 /nfs/dbraw/zinc/08/10/90/231081090.db2.gz WZZQWTYOJBLABN-HNNXBMFYSA-N 0 0 377.444 2.879 40 0 GFABRN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)NC[C@H]3CCCO3)c2)o1 ZINC000408598772 231074438 /nfs/dbraw/zinc/07/44/38/231074438.db2.gz BBMFKCGOEPUSOS-CYBMUJFWSA-N 0 0 391.807 2.865 40 0 GFABRN C[C@@H](CCc1ccccc1)NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O ZINC000408602901 231076027 /nfs/dbraw/zinc/07/60/27/231076027.db2.gz BITALJSSKSQXEH-INIZCTEOSA-N 0 0 392.496 2.725 40 0 GFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000408603719 231076112 /nfs/dbraw/zinc/07/61/12/231076112.db2.gz GWTYWGPTQHBROU-ZDUSSCGKSA-N 0 0 396.896 2.674 40 0 GFABRN C[C@H](CCc1ccccc1)NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000408624311 231086515 /nfs/dbraw/zinc/08/65/15/231086515.db2.gz GSNYPMRLQLAHDH-OAHLLOKOSA-N 0 0 378.469 2.729 40 0 GFABRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCC(N)=O)cc2)S1 ZINC000408806527 231116188 /nfs/dbraw/zinc/11/61/88/231116188.db2.gz JNTOVIVYSCLSQV-UHFFFAOYSA-N 0 0 398.464 2.631 40 0 GFABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2N)cc1 ZINC000409196858 231178690 /nfs/dbraw/zinc/17/86/90/231178690.db2.gz ROHHQLMQXVYZSS-UHFFFAOYSA-N 0 0 383.477 2.919 40 0 GFABRN CN(C)c1oc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Br ZINC000408844969 529819415 /nfs/dbraw/zinc/81/94/15/529819415.db2.gz JGIQFDBMLBXCJN-JYRVWZFOSA-N 0 0 390.262 2.878 40 0 GFABRN COC(=O)C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(Cl)cc1 ZINC000004740131 204071880 /nfs/dbraw/zinc/07/18/80/204071880.db2.gz ICHCNARBKJBGSA-ILXRZTDVSA-N 0 0 379.844 2.547 40 0 GFABRN Cc1ccc(C)c(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)c1 ZINC000004488712 204047047 /nfs/dbraw/zinc/04/70/47/204047047.db2.gz AOWIXFQNVGMGPM-UJHHCITNSA-N 0 0 377.437 2.638 40 0 GFABRN CCOC(=O)CNC(=O)CSc1nc(Cc2ccccc2)nc2ccccc21 ZINC000004936319 204093513 /nfs/dbraw/zinc/09/35/13/204093513.db2.gz IQTSCQVKUZMTKG-UHFFFAOYSA-N 0 0 395.484 2.992 40 0 GFABRN Fc1ccc(-c2cc3nc4c(c(NCCN5CCOCC5)n3n2)CCC4)cc1 ZINC000035314343 204167578 /nfs/dbraw/zinc/16/75/78/204167578.db2.gz LEHGVHWLIXSGBQ-UHFFFAOYSA-N 0 0 381.455 2.768 40 0 GFABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000035313254 204167591 /nfs/dbraw/zinc/16/75/91/204167591.db2.gz VOCMHSNXYHCXNT-KSSFIOAISA-N 0 0 386.448 2.751 40 0 GFABRN O=C(NC1CCCCCC1)C1CCN(c2c3c(nc4ncnn42)CCC3)CC1 ZINC000035314587 204167629 /nfs/dbraw/zinc/16/76/29/204167629.db2.gz DPKIDMUEGVSDBW-UHFFFAOYSA-N 0 0 382.512 2.668 40 0 GFABRN Cn1c(C(=O)O[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc2occc21 ZINC000035315788 204169216 /nfs/dbraw/zinc/16/92/16/204169216.db2.gz BQCNDGHRADOJGQ-KXBFYZLASA-N 0 0 382.416 2.965 40 0 GFABRN C[C@@]1(O)Cc2[nH][nH]c(=O)c2[C@H](c2ccccc2)[C@@H]1C(=O)OCc1ccccc1 ZINC000006752718 204199515 /nfs/dbraw/zinc/19/95/15/204199515.db2.gz HDAYPYAFBVSIFQ-LRXVAGHRSA-N 0 0 378.428 2.914 40 0 GFABRN CCN(CC(=O)Nc1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1C ZINC000007217173 204235965 /nfs/dbraw/zinc/23/59/65/204235965.db2.gz DYJNZHRBSJKHSL-UHFFFAOYSA-N 0 0 376.478 2.961 40 0 GFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(OC)c2)cc1 ZINC000007217032 204236200 /nfs/dbraw/zinc/23/62/00/204236200.db2.gz YSACUDIQYWUFIR-UHFFFAOYSA-N 0 0 392.477 2.743 40 0 GFABRN COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)C ZINC000007608709 204244270 /nfs/dbraw/zinc/24/42/70/204244270.db2.gz XYAPMZCKPJWWND-UHFFFAOYSA-N 0 0 382.869 2.529 40 0 GFABRN CCOc1ccc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008059605 204260085 /nfs/dbraw/zinc/26/00/85/204260085.db2.gz SUXVWHFHWPROPG-UHFFFAOYSA-N 0 0 381.450 2.590 40 0 GFABRN O=C(c1ccc2c(c1)CCCC2)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008240368 204266313 /nfs/dbraw/zinc/26/63/13/204266313.db2.gz POQQIHYCJQLYIP-UHFFFAOYSA-N 0 0 384.501 2.712 40 0 GFABRN O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccccc1 ZINC000010010078 204329464 /nfs/dbraw/zinc/32/94/64/204329464.db2.gz OTYTXJRUWNGAQR-UHFFFAOYSA-N 0 0 390.530 2.880 40 0 GFABRN CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 ZINC000010444589 204334721 /nfs/dbraw/zinc/33/47/21/204334721.db2.gz BJNDPKDZCUFBBF-UHFFFAOYSA-N 0 0 390.461 2.576 40 0 GFABRN C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nc2c3ccccc3nc(C3CC3)n2c1=O ZINC000012182413 204378062 /nfs/dbraw/zinc/37/80/62/204378062.db2.gz SNIKINPWQAKMLL-CJNGLKHVSA-N 0 0 379.464 2.617 40 0 GFABRN CCCc1nn(CC(=O)NCc2ccc(C)o2)c(=O)c2cc3ccsc3n21 ZINC000012181757 204378159 /nfs/dbraw/zinc/37/81/59/204378159.db2.gz LUXAWHLUVZVFFW-UHFFFAOYSA-N 0 0 384.461 2.881 40 0 GFABRN O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000012114538 204371979 /nfs/dbraw/zinc/37/19/79/204371979.db2.gz KPIBKWKALFUNHL-UHFFFAOYSA-N 0 0 394.519 2.994 40 0 GFABRN CN(C)c1ncc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)cn1 ZINC000012113894 204372189 /nfs/dbraw/zinc/37/21/89/204372189.db2.gz KSEWRUCUHASFHA-UHFFFAOYSA-N 0 0 389.419 2.593 40 0 GFABRN CCc1nn(CC(=O)N(CC)Cc2ccco2)c(=O)c2cc3sccc3n21 ZINC000012115308 204372634 /nfs/dbraw/zinc/37/26/34/204372634.db2.gz ZEPWKHILGVCOFR-UHFFFAOYSA-N 0 0 384.461 2.915 40 0 GFABRN Cn1c2ccccc2nc1N1CCC(C(=O)NCCc2ccc(O)cc2)CC1 ZINC000012116361 204372796 /nfs/dbraw/zinc/37/27/96/204372796.db2.gz GLGSFZKRCOUEHM-UHFFFAOYSA-N 0 0 378.476 2.854 40 0 GFABRN CCc1nn(CC(=O)NCc2ccccc2OC)c(=O)c2cc3ccsc3n21 ZINC000012114283 204372916 /nfs/dbraw/zinc/37/29/16/204372916.db2.gz ZSXDDRNYUGRFKZ-UHFFFAOYSA-N 0 0 396.472 2.598 40 0 GFABRN O=C(CN1CCC2(CC1)Nc1ccccc1C(=O)N2)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012117931 204373408 /nfs/dbraw/zinc/37/34/08/204373408.db2.gz RISJWZFOBCHBHD-XLIONFOSSA-N 0 0 396.535 2.815 40 0 GFABRN Cc1nc2sc3c(c2c2nn(CC(=O)NC4CCCC4)c(=O)n21)CC[C@@H](C)C3 ZINC000012132331 204373615 /nfs/dbraw/zinc/37/36/15/204373615.db2.gz 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SNMXNRIDFUUDKT-UHFFFAOYSA-N 0 0 380.466 2.705 40 0 GFABRN CC(C)c1ccc(S(=O)(=O)N2CCC3(CN(CC4CC4)C3=O)CC2)cc1 ZINC000096202861 570219213 /nfs/dbraw/zinc/21/92/13/570219213.db2.gz NTDQHWDDCCTIGD-UHFFFAOYSA-N 0 0 376.522 2.833 40 0 GFABRN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccnc3)C2)cc1F ZINC000096226885 570220902 /nfs/dbraw/zinc/22/09/02/570220902.db2.gz JBQATZFCYDKNRE-VQIMIIECSA-N 0 0 389.452 2.569 40 0 GFABRN CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(C(=O)NC1CCCCC1)C2 ZINC000096238218 570221781 /nfs/dbraw/zinc/22/17/81/570221781.db2.gz XSVXGZAMBWLHEI-IBGZPJMESA-N 0 0 376.526 2.513 40 0 GFABRN CN1CC(=O)N(c2ccsc2)C[C@]12CCN(C(=O)Nc1ccccc1F)C2 ZINC000096238159 570221794 /nfs/dbraw/zinc/22/17/94/570221794.db2.gz OFENBKPZXPFVJV-LJQANCHMSA-N 0 0 388.468 2.842 40 0 GFABRN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(C(=O)c1ccsc1)CCC2 ZINC000096251238 570224515 /nfs/dbraw/zinc/22/45/15/570224515.db2.gz ONLLFNYVBFSFCG-UWJYYQICSA-N 0 0 398.532 2.590 40 0 GFABRN 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COc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1O ZINC000001567741 570265057 /nfs/dbraw/zinc/26/50/57/570265057.db2.gz ORVDDIQJHWRRLN-NTUHNPAUSA-N 0 0 385.372 2.771 40 0 GFABRN CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2)n2ncnc2N1CCC(C)C ZINC000020674202 570274801 /nfs/dbraw/zinc/27/48/01/570274801.db2.gz MIUAVSPZKVVEDJ-FQEVSTJZSA-N 0 0 395.507 2.866 40 0 GFABRN CC(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)c2cnc(C)nc2C)CC1 ZINC000100750149 570276549 /nfs/dbraw/zinc/27/65/49/570276549.db2.gz NVXCKJDLHQRELU-LVCYWYKZSA-N 0 0 395.507 2.902 40 0 GFABRN CCOC(=O)[C@H]1C[C@]2(C)[C@@H](CCCC[C@H]2O)N1S(=O)(=O)c1ccc(C)cc1 ZINC000212415885 570277093 /nfs/dbraw/zinc/27/70/93/570277093.db2.gz ZJRZYKZLCWIHRO-SOAMZJECSA-N 0 0 395.521 2.631 40 0 GFABRN COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000216254700 570297480 /nfs/dbraw/zinc/29/74/80/570297480.db2.gz GFWYBCYLLSTFDF-HNNXBMFYSA-N 0 0 376.478 2.647 40 0 GFABRN O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)Nc1cccc(Cl)c1 ZINC000001972615 570297721 /nfs/dbraw/zinc/29/77/21/570297721.db2.gz QTFVLAQQZCAKMB-UHFFFAOYSA-N 0 0 386.791 2.508 40 0 GFABRN CCOc1ccc(CCCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000022326510 570313172 /nfs/dbraw/zinc/31/31/72/570313172.db2.gz FCQQGIJFGUCSBT-UHFFFAOYSA-N 0 0 390.505 2.600 40 0 GFABRN CCOc1cccc(N(CC(=O)N2CCCc3ccccc32)S(C)(=O)=O)c1 ZINC000022396185 570315937 /nfs/dbraw/zinc/31/59/37/570315937.db2.gz SJRMYIVBSCIPMZ-UHFFFAOYSA-N 0 0 388.489 2.831 40 0 GFABRN COc1ccc([C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000022524333 570320067 /nfs/dbraw/zinc/32/00/67/570320067.db2.gz ZHQLDCLXDFUABH-CQSZACIVSA-N 0 0 396.443 2.957 40 0 GFABRN CC[C@@H](NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccccc1 ZINC000022522822 570320093 /nfs/dbraw/zinc/32/00/93/570320093.db2.gz GFQOVAPMFMZNCK-GOSISDBHSA-N 0 0 376.478 2.729 40 0 GFABRN O=C([O-])[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCNCc1ccccc1 ZINC000022592403 570322527 /nfs/dbraw/zinc/32/25/27/570322527.db2.gz YAELKNUBNSQHAA-KRWDZBQOSA-N 0 0 375.856 2.501 40 0 GFABRN CC[C@@]1(C)CC2=C(CO1)S[C@H]1N=NN(CC(=O)Nc3nccs3)C(=O)[C@H]21 ZINC000035323880 570357343 /nfs/dbraw/zinc/35/73/43/570357343.db2.gz VQINPRLEKIENQI-IOASZLSFSA-N 0 0 393.494 2.823 40 0 GFABRN CC[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1 ZINC000023434512 570362345 /nfs/dbraw/zinc/36/23/45/570362345.db2.gz SRNNLHFJIHABQR-QGZVFWFLSA-N 0 0 386.473 2.797 40 0 GFABRN CCOC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057731093 570371797 /nfs/dbraw/zinc/37/17/97/570371797.db2.gz CIHMSIAVMKQSTN-IFXJQAMLSA-N 0 0 387.480 2.741 40 0 GFABRN COc1cccc(N([C@H](C)C(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000220172235 570383340 /nfs/dbraw/zinc/38/33/40/570383340.db2.gz JQWSYTJVQTZLMY-LLVKDONJSA-N 0 0 384.404 2.767 40 0 GFABRN COc1cccc(N([C@@H](C)C(=O)NCc2ccccc2Cl)S(C)(=O)=O)c1 ZINC000220170552 570383393 /nfs/dbraw/zinc/38/33/93/570383393.db2.gz CHOQQRHUUAEIDJ-ZDUSSCGKSA-N 0 0 396.896 2.820 40 0 GFABRN CN1C(=O)N/C(=C/c2cccn2-c2ccc(I)cc2)C1=O ZINC000006949678 570393855 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/nfs/dbraw/zinc/36/44/49/570364449.db2.gz XFXAMCLGJJJCTI-CYBMUJFWSA-N 0 0 375.421 2.805 40 0 GFABRN CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057670321 570367943 /nfs/dbraw/zinc/36/79/43/570367943.db2.gz IHMHLQQTDROYTA-MOPGFXCFSA-N 0 0 388.491 2.655 40 0 GFABRN Cc1ccc([C@H](C)NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1C ZINC000219671355 570372871 /nfs/dbraw/zinc/37/28/71/570372871.db2.gz DAVUVBZXHRIVMO-HNNXBMFYSA-N 0 0 386.473 2.715 40 0 GFABRN CCCNC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)cc2)ccc1C ZINC000408626740 570379008 /nfs/dbraw/zinc/37/90/08/570379008.db2.gz WICZRUDPZSNTLO-UHFFFAOYSA-N 0 0 376.478 2.622 40 0 GFABRN C[C@@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc(F)cc1 ZINC000220095239 570381850 /nfs/dbraw/zinc/38/18/50/570381850.db2.gz JVTFMWDYAFIJCT-LLVKDONJSA-N 0 0 386.395 2.747 40 0 GFABRN CCOc1cccc(CNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 ZINC000220145360 570382638 /nfs/dbraw/zinc/38/26/38/570382638.db2.gz IXNIFJASYHGHBE-INIZCTEOSA-N 0 0 390.505 2.865 40 0 GFABRN Cc1ccc(Cn2ccsc2=NC(=O)CSc2nc(C)cc(N)n2)cc1 ZINC000102912265 570383716 /nfs/dbraw/zinc/38/37/16/570383716.db2.gz HBRNQUPMQAAGTE-PYCFMQQDSA-N 0 0 385.518 2.807 40 0 GFABRN CCc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000220269015 570384293 /nfs/dbraw/zinc/38/42/93/570384293.db2.gz UQRIMZLUKLRXLI-ZDUSSCGKSA-N 0 0 390.461 2.771 40 0 GFABRN COc1ccc(C)cc1N([C@H](C)C(=O)NCc1ccccc1C)S(C)(=O)=O ZINC000220331796 570385253 /nfs/dbraw/zinc/38/52/53/570385253.db2.gz OXRRHDZNRLSXGV-MRXNPFEDSA-N 0 0 390.505 2.783 40 0 GFABRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1ccccc1F)S(C)(=O)=O ZINC000220590100 570388984 /nfs/dbraw/zinc/38/89/84/570388984.db2.gz BQGLAMWIRSJZRN-AWEZNQCLSA-N 0 0 394.424 2.738 40 0 GFABRN CNS(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc32)ccc1OC ZINC000121438960 570408695 /nfs/dbraw/zinc/40/86/95/570408695.db2.gz COQGGTNUGKVJGI-UHFFFAOYSA-N 0 0 384.457 2.687 40 0 GFABRN Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)cc1 ZINC000222479943 570411965 /nfs/dbraw/zinc/41/19/65/570411965.db2.gz OUNGSZCRMSIHJW-UHFFFAOYSA-N 0 0 376.478 2.508 40 0 GFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1OC ZINC000222536578 570413935 /nfs/dbraw/zinc/41/39/35/570413935.db2.gz XIGOCIPYGBFDJJ-AWEZNQCLSA-N 0 0 390.867 2.891 40 0 GFABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-n1cnnc1 ZINC000222819471 570427677 /nfs/dbraw/zinc/42/76/77/570427677.db2.gz JHBQNIQJVCRZFJ-MSOLQXFVSA-N 0 0 381.509 2.784 40 0 GFABRN C[C@@H](C(=O)NCCCO)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222837946 570428418 /nfs/dbraw/zinc/42/84/18/570428418.db2.gz UDKWLODBXBSRJT-INIZCTEOSA-N 0 0 388.895 2.798 40 0 GFABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1OC ZINC000223196182 570449536 /nfs/dbraw/zinc/44/95/36/570449536.db2.gz HWZVIJRWPCQYJZ-KRWDZBQOSA-N 0 0 388.439 2.767 40 0 GFABRN C[C@@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)CCC2 ZINC000223229794 570451577 /nfs/dbraw/zinc/45/15/77/570451577.db2.gz SBEFPTTWUZEPGY-CQSZACIVSA-N 0 0 398.484 2.587 40 0 GFABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)n1-c1cccnc1 ZINC000223571087 570472002 /nfs/dbraw/zinc/47/20/02/570472002.db2.gz VEURMRQAMZUOHI-OALUTQOASA-N 0 0 379.489 2.541 40 0 GFABRN Cc1ccc(N(CC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1Cl ZINC000223682724 570478754 /nfs/dbraw/zinc/47/87/54/570478754.db2.gz PULRQVIOUUTLEV-UHFFFAOYSA-N 0 0 396.896 2.610 40 0 GFABRN COCc1cccc(NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)c1 ZINC000223697896 570479802 /nfs/dbraw/zinc/47/98/02/570479802.db2.gz DUAYYUOQEFNZIK-CQSZACIVSA-N 0 0 392.477 2.635 40 0 GFABRN CC(C)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000000810937 570484176 /nfs/dbraw/zinc/48/41/76/570484176.db2.gz NEUHCPXQPVSIOX-UHFFFAOYSA-N 0 0 379.309 2.919 40 0 GFABRN COc1ccc(-c2nnn(CC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1OC ZINC000000862228 570498568 /nfs/dbraw/zinc/49/85/68/570498568.db2.gz MKECSMVEHOBHIW-UHFFFAOYSA-N 0 0 387.827 2.958 40 0 GFABRN Cc1ccc(Cn2ccsc2=NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1 ZINC000032915785 570515388 /nfs/dbraw/zinc/51/53/88/570515388.db2.gz TZIBGXHRZRKRQL-BSYVCWPDSA-N 0 0 392.488 2.631 40 0 GFABRN CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccccc1 ZINC000224716650 570526433 /nfs/dbraw/zinc/52/64/33/570526433.db2.gz GVOMLMQANRXOGG-UHFFFAOYSA-N 0 0 388.474 2.610 40 0 GFABRN Cc1cccc(N(CCCC(=O)NCCCOC(C)C)S(C)(=O)=O)c1C ZINC000224722538 570526867 /nfs/dbraw/zinc/52/68/67/570526867.db2.gz LLYAOZXGZCGWOF-UHFFFAOYSA-N 0 0 384.542 2.781 40 0 GFABRN Cc1nnc(NC(=O)CCCC(=O)OCC(=O)Nc2ccccc2Cl)s1 ZINC000008474489 570534362 /nfs/dbraw/zinc/53/43/62/570534362.db2.gz GBTJHQOWGZOLON-UHFFFAOYSA-N 0 0 396.856 2.791 40 0 GFABRN COC(=O)c1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 ZINC000040640031 570604202 /nfs/dbraw/zinc/60/42/02/570604202.db2.gz USXFLXVYNATNTD-UHFFFAOYSA-N 0 0 388.445 2.656 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1F ZINC000030289119 570612351 /nfs/dbraw/zinc/61/23/51/570612351.db2.gz FPHBDUMGYUFGMG-UHFFFAOYSA-N 0 0 384.860 2.999 40 0 GFABRN Cc1cccc2cc(CN(CCO)C(=S)NCCc3ccccc3)c(=O)[nH]c12 ZINC000004131770 570617461 /nfs/dbraw/zinc/61/74/61/570617461.db2.gz SNFZIYCEFQTRBM-UHFFFAOYSA-N 0 0 395.528 2.748 40 0 GFABRN COc1cccc(OCc2nnc(SCC(=O)N3CCC[C@H](C)C3)n2C)c1 ZINC000004161340 570619670 /nfs/dbraw/zinc/61/96/70/570619670.db2.gz RETLNNMTZWIFJE-AWEZNQCLSA-N 0 0 390.509 2.753 40 0 GFABRN COc1ccc2cc(CN(CCCO)C(=O)c3ccccc3C)c(=O)[nH]c2c1 ZINC000004231066 570622361 /nfs/dbraw/zinc/62/23/61/570622361.db2.gz WYZKWWIEHXGTTK-UHFFFAOYSA-N 0 0 380.444 2.870 40 0 GFABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000004411515 570629354 /nfs/dbraw/zinc/62/93/54/570629354.db2.gz WIUIUHFHFWDFCR-UHFFFAOYSA-N 0 0 390.461 2.675 40 0 GFABRN Cc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1F ZINC000004895752 570637123 /nfs/dbraw/zinc/63/71/23/570637123.db2.gz ALBQHXSGDYGELI-AREMUKBSSA-N 0 0 380.416 2.908 40 0 GFABRN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(OC)ccc1OC)CC(=O)N2 ZINC000004944326 570645545 /nfs/dbraw/zinc/64/55/45/570645545.db2.gz AQPWWIPTMSORIX-GFCCVEGCSA-N 0 0 375.450 2.763 40 0 GFABRN CC(C)OCCCNC(=O)C(=O)NCCOc1ccc(-c2ccccc2)cc1 ZINC000059417411 570656169 /nfs/dbraw/zinc/65/61/69/570656169.db2.gz QRYHWKFLFOVCTF-UHFFFAOYSA-N 0 0 384.476 2.780 40 0 GFABRN COc1ccc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2OC)cc1 ZINC000059515291 570660095 /nfs/dbraw/zinc/66/00/95/570660095.db2.gz LZJZCBLVTUUHDW-UHFFFAOYSA-N 0 0 387.457 2.931 40 0 GFABRN S=C(Nc1ccccc1)N[C@@H]1OCCO[C@H]1NC(=S)Nc1ccccc1 ZINC000003123022 570676090 /nfs/dbraw/zinc/67/60/90/570676090.db2.gz MFZYZWHTLRFNKW-HZPDHXFCSA-N 0 0 388.518 2.659 40 0 GFABRN CCS(=O)(=O)[C@@](Cl)(I)[C@@H](O)c1ccc(C)cc1 ZINC000096520136 570755123 /nfs/dbraw/zinc/75/51/23/570755123.db2.gz PDTBKXIDSMVRCQ-QWRGUYRKSA-N 0 0 388.654 2.791 40 0 GFABRN C[C@H](NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000260841315 570709948 /nfs/dbraw/zinc/70/99/48/570709948.db2.gz NHHPIORMJYSWSX-KBPBESRZSA-N 0 0 394.468 2.866 40 0 GFABRN CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc2c(c1)CCCC2 ZINC000260914992 570713610 /nfs/dbraw/zinc/71/36/10/570713610.db2.gz CCIJXKPUVVRGDI-OALUTQOASA-N 0 0 378.538 2.804 40 0 GFABRN CC(C)[C@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 ZINC000260892918 570713642 /nfs/dbraw/zinc/71/36/42/570713642.db2.gz FKDQKBVPQAKPEW-SUMWQHHRSA-N 0 0 382.526 2.672 40 0 GFABRN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(Br)o1 ZINC000003009634 570723103 /nfs/dbraw/zinc/72/31/03/570723103.db2.gz BEXOOCHWUQMLNU-UHFFFAOYSA-N 0 0 379.210 2.767 40 0 GFABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3)CC2)cc1 ZINC000003614122 570725389 /nfs/dbraw/zinc/72/53/89/570725389.db2.gz IVWMDPPUQZXJRY-UHFFFAOYSA-N 0 0 390.530 2.620 40 0 GFABRN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4N=CC=C[C@H]34)C2O)cc1 ZINC000103528815 570725851 /nfs/dbraw/zinc/72/58/51/570725851.db2.gz HDJVVYZNPLXMGE-WCIQWLHISA-N 0 0 385.423 2.592 40 0 GFABRN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cc(C)cc(C)c3)[C@@H]4C2=O)no1 ZINC000013624154 570763409 /nfs/dbraw/zinc/76/34/09/570763409.db2.gz PWNRLDPQVXUNFA-QTQZEZTPSA-N 0 0 379.416 2.525 40 0 GFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccccc2F)cc1 ZINC000013633269 570764756 /nfs/dbraw/zinc/76/47/56/570764756.db2.gz PFLUGDSHWYZKAV-UHFFFAOYSA-N 0 0 380.441 2.874 40 0 GFABRN COc1cccc(N(CC(=O)NCCCc2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000013646808 570766339 /nfs/dbraw/zinc/76/63/39/570766339.db2.gz BCAMFQHSVKLHDS-UHFFFAOYSA-N 0 0 390.505 2.519 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC[C@H](C)C1 ZINC000013672423 570770968 /nfs/dbraw/zinc/77/09/68/570770968.db2.gz UJMSMYBMVQEHKN-HNNXBMFYSA-N 0 0 380.510 2.742 40 0 GFABRN CCOC(=O)c1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1C ZINC000013675086 570771753 /nfs/dbraw/zinc/77/17/53/570771753.db2.gz RXOUCQYHRRHKDO-UHFFFAOYSA-N 0 0 390.461 2.820 40 0 GFABRN COc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)cc2)ccc1OC(C)C ZINC000013676697 570772091 /nfs/dbraw/zinc/77/20/91/570772091.db2.gz OEYWOGVTEJMSCF-UHFFFAOYSA-N 0 0 392.477 2.784 40 0 GFABRN CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711116 570777573 /nfs/dbraw/zinc/77/75/73/570777573.db2.gz KEEFAOQJRGLCSS-KRWDZBQOSA-N 0 0 390.461 2.657 40 0 GFABRN COc1ccc(OC[C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000010542534 570791568 /nfs/dbraw/zinc/79/15/68/570791568.db2.gz SWRDLJPUSITLHF-CYBMUJFWSA-N 0 0 375.421 2.918 40 0 GFABRN O=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000015009088 570871220 /nfs/dbraw/zinc/87/12/20/570871220.db2.gz DCMFKIOSDWRDQX-APSNUPSMSA-N 0 0 398.396 2.796 40 0 GFABRN Cc1nonc1NC(=O)CN1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072362429 570881468 /nfs/dbraw/zinc/88/14/68/570881468.db2.gz AWZLDJPANKVTIX-HNNXBMFYSA-N 0 0 394.435 2.778 40 0 GFABRN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000257238478 570892871 /nfs/dbraw/zinc/89/28/71/570892871.db2.gz HLDQBCFPGWKEDS-XMEMRUQMSA-N 0 0 379.455 2.943 40 0 GFABRN CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)CC1 ZINC000257235325 570892913 /nfs/dbraw/zinc/89/29/13/570892913.db2.gz GXIPKSOFAANGCW-XIRDDKMYSA-N 0 0 382.464 2.765 40 0 GFABRN CCCn1cc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ncnn32)cn1 ZINC000036619056 570893473 /nfs/dbraw/zinc/89/34/73/570893473.db2.gz SKLBHVFWGBOGEP-UHFFFAOYSA-N 0 0 393.426 2.809 40 0 GFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(OC)c2OC)cc1 ZINC000015438598 570894059 /nfs/dbraw/zinc/89/40/59/570894059.db2.gz NJHNEVZPMMJKLV-UHFFFAOYSA-N 0 0 392.477 2.987 40 0 GFABRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1 ZINC000016083905 570913385 /nfs/dbraw/zinc/91/33/85/570913385.db2.gz QFHCMDZCMAUZJT-UHFFFAOYSA-N 0 0 392.477 2.580 40 0 GFABRN COc1ccc(C(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N(C)C ZINC000016163213 570915999 /nfs/dbraw/zinc/91/59/99/570915999.db2.gz ZAHRIOMKGHEQDE-UHFFFAOYSA-N 0 0 382.869 2.529 40 0 GFABRN CCOC(=O)C1=C(N)Oc2c3ccccc3[nH]c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000017077697 570916788 /nfs/dbraw/zinc/91/67/88/570916788.db2.gz SADXRQSTDFMPBK-HNNXBMFYSA-N 0 0 380.375 2.925 40 0 GFABRN CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000016575247 570928366 /nfs/dbraw/zinc/92/83/66/570928366.db2.gz 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COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCN4C)ncc3C2)c1 ZINC000019079324 570955597 /nfs/dbraw/zinc/95/55/97/570955597.db2.gz QCHREHBMHBYQFG-MGPUTAFESA-N 0 0 396.491 2.604 40 0 GFABRN CC(C)C(=O)N1CCO[C@@](Cc2ccc(-c3cccnc3)cc2)(C(=O)N(C)C)C1 ZINC000019085785 570956503 /nfs/dbraw/zinc/95/65/03/570956503.db2.gz MPAHAONUKLYJCM-HSZRJFAPSA-N 0 0 395.503 2.633 40 0 GFABRN Cc1cc(-c2cnc(N3CCCC3)nc2-c2ccc(N3CCOCC3)nc2)on1 ZINC000019123973 570957920 /nfs/dbraw/zinc/95/79/20/570957920.db2.gz XCPGACPERIPFTD-UHFFFAOYSA-N 0 0 392.463 2.939 40 0 GFABRN COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2ccnc3cc(C)nn32)c1 ZINC000019130730 570958499 /nfs/dbraw/zinc/95/84/99/570958499.db2.gz JAIRFLLOJOBSQB-QGZVFWFLSA-N 0 0 380.448 2.961 40 0 GFABRN Cc1ccc(-c2nnc([C@@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)o2)cn1 ZINC000019215186 570961773 /nfs/dbraw/zinc/96/17/73/570961773.db2.gz UMFDGOBTPKFNQS-CQSZACIVSA-N 0 0 388.424 2.757 40 0 GFABRN Cc1nccn1CCC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000019288058 570970625 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ZINC000022363204 570314613 /nfs/dbraw/zinc/31/46/13/570314613.db2.gz NTADNYLNLRKHDB-UHFFFAOYSA-N 0 0 398.887 2.994 40 0 GFABRN CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccc(F)c(F)c1 ZINC000022373463 570314726 /nfs/dbraw/zinc/31/47/26/570314726.db2.gz DSSLRWLWXLDZCQ-SFHVURJKSA-N 0 0 394.443 2.925 40 0 GFABRN COc1cccc(N(CCCC(=O)NCCCc2ccco2)S(C)(=O)=O)c1 ZINC000113968207 570338745 /nfs/dbraw/zinc/33/87/45/570338745.db2.gz NFIONAGAIAPTOZ-UHFFFAOYSA-N 0 0 394.493 2.583 40 0 GFABRN COc1cc(OC)cc(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)c1 ZINC000218901133 570343431 /nfs/dbraw/zinc/34/34/31/570343431.db2.gz WCOYYYIVHFSADS-UHFFFAOYSA-N 0 0 389.433 2.853 40 0 GFABRN O=S(=O)(Cc1ccccc1Cl)NCc1ccc(CN2CCOCC2)cc1 ZINC000116700853 570345175 /nfs/dbraw/zinc/34/51/75/570345175.db2.gz FUQFHCRFWXSHRH-UHFFFAOYSA-N 0 0 394.924 2.792 40 0 GFABRN CN(CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1 ZINC000219287798 570351060 /nfs/dbraw/zinc/35/10/60/570351060.db2.gz UZKXIJNLKHKXGC-UHFFFAOYSA-N 0 0 395.912 2.968 40 0 GFABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1 ZINC000006326874 570358068 /nfs/dbraw/zinc/35/80/68/570358068.db2.gz IQAFMPIZPBOZJA-RIYZIHGNSA-N 0 0 377.418 2.709 40 0 GFABRN CCCCCC(=O)NC(=S)Nc1cc(C(=O)OC)ccc1N1CCOCC1 ZINC000057327788 570358828 /nfs/dbraw/zinc/35/88/28/570358828.db2.gz HDVSFSBZVOSAKU-UHFFFAOYSA-N 0 0 393.509 2.703 40 0 GFABRN O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCC1=CCCCC1 ZINC000219434765 570360816 /nfs/dbraw/zinc/36/08/16/570360816.db2.gz QCLMPEPWXQLBPL-UHFFFAOYSA-N 0 0 376.478 2.618 40 0 GFABRN CCOC(=O)N1CCN(C(=O)CCCN2c3cccc4cccc(c34)C2=O)CC1 ZINC000219454823 570362184 /nfs/dbraw/zinc/36/21/84/570362184.db2.gz JNLPUTNISASGMR-UHFFFAOYSA-N 0 0 395.459 2.881 40 0 GFABRN O=C(C1=C2C(O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccc(F)cc1 ZINC000035380216 570365650 /nfs/dbraw/zinc/36/56/50/570365650.db2.gz DMCLCFCWODYPFH-YRXWBPOGSA-N 0 0 396.393 2.800 40 0 GFABRN COC[C@H](C)NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000408626823 570379102 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CCOC(=O)c1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1 ZINC000222438884 570410960 /nfs/dbraw/zinc/41/09/60/570410960.db2.gz QXJKYZQOPCPWBN-UHFFFAOYSA-N 0 0 390.461 2.820 40 0 GFABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(N(C)S(C)(=O)=O)c(C)c2)c1 ZINC000222473069 570411527 /nfs/dbraw/zinc/41/15/27/570411527.db2.gz XSPXAFNRANRUIC-UHFFFAOYSA-N 0 0 390.461 2.738 40 0 GFABRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)cc1 ZINC000222463786 570411727 /nfs/dbraw/zinc/41/17/27/570411727.db2.gz YESZHSLJDRZHNR-MRXNPFEDSA-N 0 0 390.505 2.897 40 0 GFABRN COC(=O)c1cn(S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c2ccccc12 ZINC000222643866 570418460 /nfs/dbraw/zinc/41/84/60/570418460.db2.gz URVBNWIDNVHWOB-UHFFFAOYSA-N 0 0 387.413 2.760 40 0 GFABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccccc2)c(C)c1 ZINC000222791654 570426099 /nfs/dbraw/zinc/42/60/99/570426099.db2.gz ZNYGZAXPYUXSLP-UHFFFAOYSA-N 0 0 376.478 2.725 40 0 GFABRN CCc1ccc(OCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)cc1 ZINC000222813449 570427090 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NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1 ZINC000000676174 570477577 /nfs/dbraw/zinc/47/75/77/570477577.db2.gz GDEGVKPISSCCCL-UHFFFAOYSA-N 0 0 378.461 2.506 40 0 GFABRN O=C(Cc1cccc2c(=O)cc(-c3ccccc3)oc12)OCCN1CCOCC1 ZINC000031771616 570506293 /nfs/dbraw/zinc/50/62/93/570506293.db2.gz PEIYHJNHFSCZHR-UHFFFAOYSA-N 0 0 393.439 2.878 40 0 GFABRN O=C(CN1CCOCC1)Nc1ccc2c(c1)[C@H]1Oc3ccccc3C[C@@H]1CO2 ZINC000031870847 570507282 /nfs/dbraw/zinc/50/72/82/570507282.db2.gz LNSGFDQMAJJFNX-ZHRRBRCNSA-N 0 0 380.444 2.642 40 0 GFABRN C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000000902295 570514342 /nfs/dbraw/zinc/51/43/42/570514342.db2.gz NSUPOSXSXVIISN-KRWDZBQOSA-N 0 0 393.553 2.922 40 0 GFABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCCC1 ZINC000000910841 570518127 /nfs/dbraw/zinc/51/81/27/570518127.db2.gz LGUHCTZHSAFFIV-SFHVURJKSA-N 0 0 396.495 2.854 40 0 GFABRN Cc1c2ccccc2oc1C(=O)N1Cc2ccnn2[C@H](CN2CCCC2=O)C1 ZINC000575404176 570520367 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CCN(CC)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CCOC ZINC000004169154 570621035 /nfs/dbraw/zinc/62/10/35/570621035.db2.gz BRYFGVOEHVYTRR-UHFFFAOYSA-N 0 0 378.498 2.561 40 0 GFABRN COCCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2ccccc2c1=O ZINC000004187666 570622009 /nfs/dbraw/zinc/62/20/09/570622009.db2.gz GTGUXLKWMNQDHU-AWEZNQCLSA-N 0 0 375.494 2.536 40 0 GFABRN Cc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)o1 ZINC000004278904 570625908 /nfs/dbraw/zinc/62/59/08/570625908.db2.gz UYKNNKSISDKNSQ-IOASZLSFSA-N 0 0 384.379 2.857 40 0 GFABRN Cc1ccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)cc1C ZINC000004848201 570634287 /nfs/dbraw/zinc/63/42/87/570634287.db2.gz JUBBMNPOPQEQEU-UHFFFAOYSA-N 0 0 396.491 2.975 40 0 GFABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)NC[C@@H]1CCCO1)OCCO4 ZINC000004848858 570634920 /nfs/dbraw/zinc/63/49/20/570634920.db2.gz LSVVJOPFGAVROE-NSHDSACASA-N 0 0 385.445 2.712 40 0 GFABRN CCSc1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 ZINC000044938707 570644897 /nfs/dbraw/zinc/64/48/97/570644897.db2.gz NZIVLTMEWXKIAT-INIZCTEOSA-N 0 0 392.502 2.964 40 0 GFABRN Cn1nc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2nccnc21 ZINC000012365104 570646857 /nfs/dbraw/zinc/64/68/57/570646857.db2.gz PVOHOWXNDMNTOR-LBPRGKRZSA-N 0 0 391.884 2.585 40 0 GFABRN O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)NC1CCCC1 ZINC000004973415 570655548 /nfs/dbraw/zinc/65/55/48/570655548.db2.gz RDFGDDMEGODUQK-UHFFFAOYSA-N 0 0 386.452 2.655 40 0 GFABRN COCCn1c(=O)c2ccccc2nc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000005015802 570657436 /nfs/dbraw/zinc/65/74/36/570657436.db2.gz ZHPSGVBNZDFLCP-HOCLYGCPSA-N 0 0 389.521 2.830 40 0 GFABRN CCOc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 ZINC000260840634 570709912 /nfs/dbraw/zinc/70/99/12/570709912.db2.gz WVZWHNOPCKEVFI-YWZLYKJASA-N 0 0 386.473 2.941 40 0 GFABRN CCS(=O)(=O)N1C[C@H](C(=O)NC[C@@H](C)c2ccccc2)Oc2ccccc21 ZINC000260850854 570711331 /nfs/dbraw/zinc/71/13/31/570711331.db2.gz SEHPDPPRTAUHOH-DNVCBOLYSA-N 0 0 388.489 2.524 40 0 GFABRN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000101170924 570714112 /nfs/dbraw/zinc/71/41/12/570714112.db2.gz SCRCIPFKSPGKPH-CEXWTWQISA-N 0 0 397.862 2.884 40 0 GFABRN CCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccccc3Cl)N2N1 ZINC000588227038 570745290 /nfs/dbraw/zinc/74/52/90/570745290.db2.gz HSAZVADQSYYGKA-KRWDZBQOSA-N 0 0 384.892 2.626 40 0 GFABRN CC(C)CNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000006537683 570746881 /nfs/dbraw/zinc/74/68/81/570746881.db2.gz AZPJPLATDXWEJA-UHFFFAOYSA-N 0 0 376.478 2.663 40 0 GFABRN CCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccccc2)c1 ZINC000013581885 570760529 /nfs/dbraw/zinc/76/05/29/570760529.db2.gz BHKOGYYUDUKKKL-UHFFFAOYSA-N 0 0 390.505 2.698 40 0 GFABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000007871994 570762428 /nfs/dbraw/zinc/76/24/28/570762428.db2.gz ZXDSNAZTMROMHA-UHFFFAOYSA-N 0 0 378.450 2.742 40 0 GFABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC ZINC000008040688 570763709 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ZINC000019285415 570969323 /nfs/dbraw/zinc/96/93/23/570969323.db2.gz RQVBMKRRBZVRTC-FQEVSTJZSA-N 0 0 390.443 2.751 40 0 GFABRN Nc1c(C(=O)[C@H]2CCCN(C(=O)c3cccnc3)C2)cnn1-c1ccc(F)cc1 ZINC000019337439 570976521 /nfs/dbraw/zinc/97/65/21/570976521.db2.gz IPZJYXKIMDOAPC-HNNXBMFYSA-N 0 0 393.422 2.724 40 0 GFABRN c1ccc(-c2n[nH]nc2CN(CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000019373940 570981605 /nfs/dbraw/zinc/98/16/05/570981605.db2.gz RVIOSOMRQSURMB-UHFFFAOYSA-N 0 0 392.507 2.591 40 0 GFABRN CC(C)c1nc(N2CCC(NC(=O)[C@@H]3CCCO3)CC2)ncc1-c1ccncc1 ZINC000019451593 570985495 /nfs/dbraw/zinc/98/54/95/570985495.db2.gz NXLSLOMUADZGPD-IBGZPJMESA-N 0 0 395.507 2.926 40 0 GFABRN CCCCNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000243479354 570987515 /nfs/dbraw/zinc/98/75/15/570987515.db2.gz NNRGGRPOJVNOLC-UHFFFAOYSA-N 0 0 390.505 2.948 40 0 GFABRN CCc1oc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019521498 570994627 /nfs/dbraw/zinc/99/46/27/570994627.db2.gz QTRHZGFIIGSDOE-FQEVSTJZSA-N 0 0 397.519 2.803 40 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COc1nn(Cc2cc(=O)[nH]c(NCC3CCCCC3)n2)c(=O)c2ccccc21 ZINC000019717518 571039993 /nfs/dbraw/zinc/03/99/93/571039993.db2.gz HIOKCWCIKJWWII-UHFFFAOYSA-N 0 0 395.463 2.529 40 0 GFABRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000019717852 571040769 /nfs/dbraw/zinc/04/07/69/571040769.db2.gz UJVFANHCLFBHBP-CQSZACIVSA-N 0 0 392.438 2.718 40 0 GFABRN Cc1c(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)sc2[nH]cnc(=O)c12 ZINC000019717809 571040882 /nfs/dbraw/zinc/04/08/82/571040882.db2.gz WNJUWUMKDWASFU-UHFFFAOYSA-N 0 0 383.408 2.929 40 0 GFABRN C[C@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C(F)(F)F)n1 ZINC000328966990 571048055 /nfs/dbraw/zinc/04/80/55/571048055.db2.gz CQEKVHRFARZDBP-MRVPVSSYSA-N 0 0 396.291 2.774 40 0 GFABRN Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(F)c1 ZINC000408535855 231054363 /nfs/dbraw/zinc/05/43/63/231054363.db2.gz XMJUXEHZDSDOOR-UHFFFAOYSA-N 0 0 380.441 2.838 40 0 GFABRN COC[C@H](C)NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000408615932 231080718 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376.519 2.628 40 0 GFABRN COc1ccc(OC[C@@H](C)NC(=O)COc2cc(OC)cc(OC)c2)cc1 ZINC000218894527 570343105 /nfs/dbraw/zinc/34/31/05/570343105.db2.gz KDHBVSVAZNQMDC-CQSZACIVSA-N 0 0 375.421 2.675 40 0 GFABRN O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCCSCc1ccccc1F ZINC000219016625 570345856 /nfs/dbraw/zinc/34/58/56/570345856.db2.gz HKAQPUSEKPEBSV-IYBDPMFKSA-N 0 0 390.480 2.516 40 0 GFABRN CC(=O)N[C@H]1[C@H](c2ccccc2)N(C(=O)NCc2ccccc2)CC[C@@]1(C)O ZINC000604382136 570353441 /nfs/dbraw/zinc/35/34/41/570353441.db2.gz HEZAHMKVGGNLON-JAXLGGSGSA-N 0 0 381.476 2.599 40 0 biogenic,in-vitro GFABRN C[C@@]1(O)CCN(C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000604383280 570354112 /nfs/dbraw/zinc/35/41/12/570354112.db2.gz RUPBFDUQQBBEAU-SXWKCWPCSA-N 0 0 378.472 2.920 40 0 biogenic,in-vitro GFABRN COCCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006450671 570365782 /nfs/dbraw/zinc/36/57/82/570365782.db2.gz MOJRNCYZTDOKED-UHFFFAOYSA-N 0 0 396.896 2.606 40 0 GFABRN 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/nfs/dbraw/zinc/38/21/69/570382169.db2.gz PAZIDLUANSIYJT-AWEZNQCLSA-N 0 0 392.477 2.805 40 0 GFABRN COc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000004560391 570384699 /nfs/dbraw/zinc/38/46/99/570384699.db2.gz OXZLZVXHFLRKFX-UHFFFAOYSA-N 0 0 388.489 2.718 40 0 GFABRN COc1ccc(C)cc1N([C@H](C)C(=O)N(C)Cc1ccccc1)S(C)(=O)=O ZINC000220325162 570384861 /nfs/dbraw/zinc/38/48/61/570384861.db2.gz WIRQQQYSTKRZDT-MRXNPFEDSA-N 0 0 390.505 2.817 40 0 GFABRN Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000121341192 570406219 /nfs/dbraw/zinc/40/62/19/570406219.db2.gz ORVTZQNJWYLORG-INIZCTEOSA-N 0 0 388.489 2.507 40 0 GFABRN C[C@]12C=C[C@](CO)(O1)[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000222249033 570407817 /nfs/dbraw/zinc/40/78/17/570407817.db2.gz PPIVCBCOLCHEFG-NOXHYTERSA-N 0 0 387.741 2.554 40 0 GFABRN CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000048066034 570410519 /nfs/dbraw/zinc/41/05/19/570410519.db2.gz FWILCURGPSGSGA-UYDKOKGTSA-N 0 0 389.496 2.882 40 0 GFABRN CC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)C1CCCC1 ZINC000004848361 570411907 /nfs/dbraw/zinc/41/19/07/570411907.db2.gz WZVNLTPWMPXANO-UHFFFAOYSA-N 0 0 380.514 2.548 40 0 GFABRN CCOc1ccccc1C(=O)NC1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000004909323 570416907 /nfs/dbraw/zinc/41/69/07/570416907.db2.gz SKJZEQJOFKKQAO-UHFFFAOYSA-N 0 0 387.524 2.728 40 0 GFABRN CN(C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1 ZINC000222640604 570418285 /nfs/dbraw/zinc/41/82/85/570418285.db2.gz IPYJNKDBQYBSNH-UHFFFAOYSA-N 0 0 392.452 2.652 40 0 GFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222961960 570433411 /nfs/dbraw/zinc/43/34/11/570433411.db2.gz ZYEKXRSZCZAWSZ-GOSISDBHSA-N 0 0 382.460 2.901 40 0 GFABRN COCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(C)=O ZINC000223258620 570453628 /nfs/dbraw/zinc/45/36/28/570453628.db2.gz HLWRTHRNQUWADR-JOCHJYFZSA-N 0 0 398.503 2.808 40 0 GFABRN Cc1csc(NC(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)n1 ZINC000035290106 570456416 /nfs/dbraw/zinc/45/64/16/570456416.db2.gz NBFYOUDOTXJJAI-UHFFFAOYSA-N 0 0 388.474 2.577 40 0 GFABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccccc1OC ZINC000223297420 570456494 /nfs/dbraw/zinc/45/64/94/570456494.db2.gz VWDRXEHKSZSZGM-UHFFFAOYSA-N 0 0 392.477 2.525 40 0 GFABRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000006155047 570470341 /nfs/dbraw/zinc/47/03/41/570470341.db2.gz RUVMADFJLGJZLA-UHFFFAOYSA-N 0 0 379.434 2.706 40 0 GFABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000008301065 570471344 /nfs/dbraw/zinc/47/13/44/570471344.db2.gz UAYFTFPQGNEFJD-CQSZACIVSA-N 0 0 392.477 2.626 40 0 GFABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(O)cc1 ZINC000223627520 570475502 /nfs/dbraw/zinc/47/55/02/570475502.db2.gz GUKRGQBYTLJZSO-WOJBJXKFSA-N 0 0 394.500 2.933 40 0 GFABRN COCc1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000223702613 570479742 /nfs/dbraw/zinc/47/97/42/570479742.db2.gz WRNYTFYRNGAZDT-UHFFFAOYSA-N 0 0 376.478 2.855 40 0 GFABRN CCCCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000006650220 570485836 /nfs/dbraw/zinc/48/58/36/570485836.db2.gz PRDJUJKQBLHKPP-NTEUORMPSA-N 0 0 394.405 2.983 40 0 GFABRN COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000007323284 570502809 /nfs/dbraw/zinc/50/28/09/570502809.db2.gz ZUHXGFYBQPFPNL-UHFFFAOYSA-N 0 0 388.445 2.573 40 0 GFABRN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000007709059 570513193 /nfs/dbraw/zinc/51/31/93/570513193.db2.gz XTVVFDCORXRROP-UHFFFAOYSA-N 0 0 388.445 2.709 40 0 GFABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C)c1 ZINC000000905367 570516382 /nfs/dbraw/zinc/51/63/82/570516382.db2.gz SZUCOLZPKVIPOF-UHFFFAOYSA-N 0 0 386.433 2.983 40 0 GFABRN Cc1c(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C ZINC000007813811 570516758 /nfs/dbraw/zinc/51/67/58/570516758.db2.gz BXMSSKHUHJQJIV-AWEZNQCLSA-N 0 0 395.415 2.619 40 0 GFABRN Cc1cccc(COC[C@@H]2CN(C(=O)c3cccc(O)c3)Cc3ccnn32)n1 ZINC000575405096 570521494 /nfs/dbraw/zinc/52/14/94/570521494.db2.gz SAPCFGWDJYGAFQ-IBGZPJMESA-N 0 0 378.432 2.706 40 0 GFABRN CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000028092220 570526915 /nfs/dbraw/zinc/52/69/15/570526915.db2.gz IIFYLUQTXHZHIZ-UHFFFAOYSA-N 0 0 397.294 2.929 40 0 GFABRN COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl ZINC000028207958 570529898 /nfs/dbraw/zinc/52/98/98/570529898.db2.gz ZEOBYTKLCKZZPI-UHFFFAOYSA-N 0 0 398.868 2.616 40 0 GFABRN COCCNC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2 ZINC000224774363 570530360 /nfs/dbraw/zinc/53/03/60/570530360.db2.gz BNJAXNGUEWXWKK-UHFFFAOYSA-N 0 0 382.460 2.959 40 0 GFABRN CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224798493 570531385 /nfs/dbraw/zinc/53/13/85/570531385.db2.gz AQZVMGFPFVRFHE-UHFFFAOYSA-N 0 0 379.434 2.706 40 0 GFABRN CCOc1ccc(C(=O)NC)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224819758 570532379 /nfs/dbraw/zinc/53/23/79/570532379.db2.gz CRNCEXPJSYFUGG-UHFFFAOYSA-N 0 0 376.478 2.574 40 0 GFABRN COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224860553 570534786 /nfs/dbraw/zinc/53/47/86/570534786.db2.gz RCHZSOVLOOSYFB-UHFFFAOYSA-N 0 0 399.852 2.726 40 0 GFABRN CCOc1cc(NC(=S)NC[C@@H]2CCCO2)c(OCC)cc1NC(C)=O ZINC000000929402 570539801 /nfs/dbraw/zinc/53/98/01/570539801.db2.gz CDFZZXAUMLSEOW-ZDUSSCGKSA-N 0 0 381.498 2.908 40 0 GFABRN CCN(CC)C(=O)CSc1nnc(COc2cccc(OC)c2)n1CC ZINC000000929229 570539808 /nfs/dbraw/zinc/53/98/08/570539808.db2.gz KRGMDRIAJAVABY-UHFFFAOYSA-N 0 0 378.498 2.846 40 0 GFABRN CCc1ccc(/C=c2/sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)cc1 ZINC000009189106 570551277 /nfs/dbraw/zinc/55/12/77/570551277.db2.gz RWUHADCAIYYUMQ-WOJGMQOQSA-N 0 0 393.468 2.945 40 0 GFABRN CCOC(=O)c1ccc(C)c(N(CC(=O)OC)S(=O)(=O)c2cccs2)c1 ZINC000225141517 570551870 /nfs/dbraw/zinc/55/18/70/570551870.db2.gz VFRLLVZTQPWJPC-UHFFFAOYSA-N 0 0 397.474 2.602 40 0 GFABRN CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000225209410 570556634 /nfs/dbraw/zinc/55/66/34/570556634.db2.gz XFWRJUXEBYBFAE-KRWDZBQOSA-N 0 0 380.554 2.822 40 0 GFABRN Cc1cccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)c1Cl ZINC000225217862 570557027 /nfs/dbraw/zinc/55/70/27/570557027.db2.gz YTXZQQHWSQROMX-UHFFFAOYSA-N 0 0 390.944 2.547 40 0 GFABRN COc1ccc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)c(OC)c1OC ZINC000225238537 570558403 /nfs/dbraw/zinc/55/84/03/570558403.db2.gz ARCXGRFWYWDQMW-SLZMIMFISA-N 0 0 385.416 2.682 40 0 GFABRN COc1cc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)ccc1O ZINC000036701643 570561757 /nfs/dbraw/zinc/56/17/57/570561757.db2.gz CGEDRCKHRONNKJ-IGNZVWTISA-N 0 0 379.420 2.651 40 0 GFABRN CCN(c1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1)S(C)(=O)=O ZINC000010008551 570564654 /nfs/dbraw/zinc/56/46/54/570564654.db2.gz GPVADHNHABICMZ-UHFFFAOYSA-N 0 0 378.450 2.742 40 0 GFABRN Cc1ccc(-n2ncc3c2ncn(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c3=O)cc1 ZINC000001330691 570568436 /nfs/dbraw/zinc/56/84/36/570568436.db2.gz KSJIGEZGCJILON-HOTGVXAUSA-N 0 0 379.464 2.680 40 0 GFABRN CNS(=O)(=O)c1cccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c1 ZINC000225412782 570571580 /nfs/dbraw/zinc/57/15/80/570571580.db2.gz BZTDLVRPIHJWOF-UHFFFAOYSA-N 0 0 390.505 2.745 40 0 GFABRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000038426918 570579241 /nfs/dbraw/zinc/57/92/41/570579241.db2.gz MSDCPWKWEFJACT-UHFFFAOYSA-N 0 0 381.476 2.608 40 0 GFABRN Cc1nccn1-c1ccccc1CNC(=O)c1cccc(CN2CCOCC2)c1 ZINC000038771565 570583266 /nfs/dbraw/zinc/58/32/66/570583266.db2.gz OUMQCTGNCPCHET-UHFFFAOYSA-N 0 0 390.487 2.943 40 0 GFABRN CCN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985206 570594958 /nfs/dbraw/zinc/59/49/58/570594958.db2.gz FEFAURNWPVCQJY-UHFFFAOYSA-N 0 0 380.510 2.713 40 0 GFABRN CCN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985903 570595735 /nfs/dbraw/zinc/59/57/35/570595735.db2.gz RBGDOMACWWIYRM-UHFFFAOYSA-N 0 0 382.526 2.935 40 0 GFABRN Cc1nc2nc3ccn(Cc4ccncc4)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398573 570602434 /nfs/dbraw/zinc/60/24/34/570602434.db2.gz BIZLWVQNFGTYTB-UHFFFAOYSA-N 0 0 386.390 2.997 40 0 GFABRN CCC(CC)NC(=O)CCc1cc(S(=O)(=O)N2CCCC2)ccc1OC ZINC000225694339 570604027 /nfs/dbraw/zinc/60/40/27/570604027.db2.gz DKLRYGGTUHUTDI-UHFFFAOYSA-N 0 0 382.526 2.717 40 0 GFABRN O=C(c1noc2c1CCCC2)N1C[C@H]2[C@H](CC[C@@]23Nc2ccccc2C(=O)N3)C1 ZINC000012086083 570606124 /nfs/dbraw/zinc/60/61/24/570606124.db2.gz ZQULGVCYNQYOHP-DHZVRSILSA-N 0 0 392.459 2.587 40 0 GFABRN CC(=O)Nc1ccc(NC(=O)CN2[C@@H]3CC[C@H]2CC(O)(c2ccco2)C3)cc1 ZINC000012114363 570610124 /nfs/dbraw/zinc/61/01/24/570610124.db2.gz ZTKSGEIIQNZLLL-HTZLVSCSSA-N 0 0 383.448 2.691 40 0 GFABRN Cc1cc2c(cc3c(=O)n(CC(=O)NCc4ccccc4F)nc(C)n23)s1 ZINC000012115351 570610498 /nfs/dbraw/zinc/61/04/98/570610498.db2.gz HSTHIQCBLUVDLK-UHFFFAOYSA-N 0 0 384.436 2.783 40 0 GFABRN CCn1c2cc(C)oc2c2cnn([C@H](C)C(=O)NCc3ccncc3)c(=O)c21 ZINC000012117742 570611941 /nfs/dbraw/zinc/61/19/41/570611941.db2.gz TWDCFOLLYOSBIV-CYBMUJFWSA-N 0 0 379.420 2.545 40 0 GFABRN CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)nc12 ZINC000012117705 570612033 /nfs/dbraw/zinc/61/20/33/570612033.db2.gz MBWKEOZHQMXXCX-HOTGVXAUSA-N 0 0 381.480 2.652 40 0 GFABRN CCn1c2cc(C)sc2c2cnn(CC(=O)Nc3c(C)nn(C)c3C)c(=O)c21 ZINC000012142717 570614973 /nfs/dbraw/zinc/61/49/73/570614973.db2.gz JQQHRQUZMKNSES-UHFFFAOYSA-N 0 0 398.492 2.730 40 0 GFABRN CCc1nnc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2CC)s1 ZINC000004130569 570617100 /nfs/dbraw/zinc/61/71/00/570617100.db2.gz HIMDOQPNNHNQHD-UHFFFAOYSA-N 0 0 390.494 2.815 40 0 GFABRN O=C(Cn1c(-c2cccs2)cc2cccnc21)NCC(=O)N1CCCCC1 ZINC000012148108 570617736 /nfs/dbraw/zinc/61/77/36/570617736.db2.gz LVADFVSHSPXILY-UHFFFAOYSA-N 0 0 382.489 2.894 40 0 GFABRN CCOc1cc2c(cc1CN(Cc1ccc3c(c1)OCO3)C[C@H](C)O)OCO2 ZINC000012185705 570620467 /nfs/dbraw/zinc/62/04/67/570620467.db2.gz LXVACDOZXDUPMI-AWEZNQCLSA-N 0 0 387.432 2.926 40 0 GFABRN O=S(=O)(c1ccc(Cl)cc1)N1CCC(c2[nH]nc3nccnc32)CC1 ZINC000012228355 570628862 /nfs/dbraw/zinc/62/88/62/570628862.db2.gz RGUWETMRZUDNID-UHFFFAOYSA-N 0 0 377.857 2.575 40 0 GFABRN 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385.239 2.701 40 0 GFABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000008494578 654484513 /nfs/dbraw/zinc/48/45/13/654484513.db2.gz PQUAJSQMEVWDAV-UHFFFAOYSA-N 0 0 384.567 2.972 40 0 GFABRN COc1cccc(CNc2nc(CCn3ncc4c3CCCC4)cc(=O)[nH]2)c1 ZINC000019565691 210265334 /nfs/dbraw/zinc/26/53/34/210265334.db2.gz RRRRLNIOEXQRQQ-UHFFFAOYSA-N 0 0 379.464 2.709 40 0 GFABRN CNc1nc(C)c(C(=O)N2CCC[C@H](c3cc4cccnc4c(=O)[nH]3)C2)s1 ZINC000019560878 210264401 /nfs/dbraw/zinc/26/44/01/210264401.db2.gz XEDFVWHTXSKCMC-ZDUSSCGKSA-N 0 0 383.477 2.750 40 0 GFABRN COc1cccc(C(=O)N2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)c1 ZINC000019564287 210263879 /nfs/dbraw/zinc/26/38/79/210263879.db2.gz QZFUHEXFBDPMKQ-UHFFFAOYSA-N 0 0 390.443 2.860 40 0 GFABRN CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220630067 222602178 /nfs/dbraw/zinc/60/21/78/222602178.db2.gz DAXRKASZRZZZKT-SFHVURJKSA-N 0 0 394.468 2.695 40 0 GFABRN Cc1ncsc1-c1cc(CN2CCC(NC(=O)c3ccccn3)CC2)n(C)n1 ZINC000019562505 210262767 /nfs/dbraw/zinc/26/27/67/210262767.db2.gz HTXHMEQBTPMUEJ-UHFFFAOYSA-N 0 0 396.520 2.641 40 0 GFABRN COc1ccc(CN(Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)cc1 ZINC000019554835 210262106 /nfs/dbraw/zinc/26/21/06/210262106.db2.gz GCKGNDQGALRPMH-NRFANRHFSA-N 0 0 398.507 2.503 40 0 GFABRN COc1ccc(CCc2nnc(NC(=O)c3cc4c([nH]c3=O)CCC4)s2)cc1 ZINC000019554726 210261501 /nfs/dbraw/zinc/26/15/01/210261501.db2.gz WCBRFAUNOFEATN-UHFFFAOYSA-N 0 0 396.472 2.761 40 0 GFABRN CCN1C(=O)N(CC(=O)N2CCOc3ccccc32)c2cccnc2N1CC ZINC000019528331 210258898 /nfs/dbraw/zinc/25/88/98/210258898.db2.gz COWBMWRBRPVZSE-UHFFFAOYSA-N 0 0 381.436 2.510 40 0 GFABRN CCn1cc(S(=O)(=O)N2CCC(c3nc(C)n4c(C)csc34)CC2)cn1 ZINC000019525015 210256860 /nfs/dbraw/zinc/25/68/60/210256860.db2.gz AALMLUZETBHMGY-UHFFFAOYSA-N 0 0 393.538 2.797 40 0 GFABRN CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3cccs3)o2)c(C)n1 ZINC000019524647 210256705 /nfs/dbraw/zinc/25/67/05/210256705.db2.gz BLWUMSOERLRJJV-GFCCVEGCSA-N 0 0 393.494 2.849 40 0 GFABRN CCc1nccn1CC1(O)CCN(C(=O)c2cc3cc(OC)ccc3n2C)CC1 ZINC000019523617 210256634 /nfs/dbraw/zinc/25/66/34/210256634.db2.gz VQIRLVSJVPDCQN-UHFFFAOYSA-N 0 0 396.491 2.613 40 0 GFABRN CCn1nc(C)c([C@@H](C)NC(=O)c2nnn(-c3cccc(OC)c3)c2C)c1C ZINC000019523753 210255803 /nfs/dbraw/zinc/25/58/03/210255803.db2.gz UUFKKGUEEVUMAN-GFCCVEGCSA-N 0 0 382.468 2.909 40 0 GFABRN CCc1noc(C)c1C(=O)N1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019521252 210255584 /nfs/dbraw/zinc/25/55/84/210255584.db2.gz CFKGDAPHNPJTRE-SFHVURJKSA-N 0 0 397.479 2.607 40 0 GFABRN CCc1noc(C)c1C(=O)N1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019521253 210254760 /nfs/dbraw/zinc/25/47/60/210254760.db2.gz CFKGDAPHNPJTRE-GOSISDBHSA-N 0 0 397.479 2.607 40 0 GFABRN CCC(CC)C(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C ZINC000019500279 210254556 /nfs/dbraw/zinc/25/45/56/210254556.db2.gz JJPPPZRXEVDRDL-GSHUGGBRSA-N 0 0 398.507 2.672 40 0 GFABRN COc1ccc([C@@H](C)NC(=O)C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)cc1F ZINC000019458624 210250211 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Cc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1C ZINC000408733979 231107517 /nfs/dbraw/zinc/10/75/17/231107517.db2.gz UACSDXPGUDFCNJ-ROUUACIJSA-N 0 0 399.450 2.780 40 0 GFABRN C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000408733564 231108133 /nfs/dbraw/zinc/10/81/33/231108133.db2.gz KEPNROCMMQHFKH-APYUEPQZSA-N 0 0 387.741 2.554 40 0 GFABRN O=C(Nc1ccc2nccnc2c1)c1ccc(OC(=S)N2CCOCC2)cc1 ZINC000408975849 231139862 /nfs/dbraw/zinc/13/98/62/231139862.db2.gz OFBIRZDAIYXWCD-UHFFFAOYSA-N 0 0 394.456 2.878 40 0 GFABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 ZINC000408975744 231140007 /nfs/dbraw/zinc/14/00/07/231140007.db2.gz MKAHLCSPCJNTFH-ZDUSSCGKSA-N 0 0 384.395 2.869 40 0 GFABRN NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CCCO2)C1 ZINC000019344571 210242197 /nfs/dbraw/zinc/24/21/97/210242197.db2.gz NODVEOOOPHUXKU-DYESRHJHSA-N 0 0 384.501 2.841 40 0 GFABRN NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000019344568 210241762 /nfs/dbraw/zinc/24/17/62/210241762.db2.gz NODVEOOOPHUXKU-UWJYYQICSA-N 0 0 384.501 2.841 40 0 GFABRN O=C(CCCn1ccnc1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 ZINC000019344273 210241171 /nfs/dbraw/zinc/24/11/71/210241171.db2.gz FASMSMOJLHIYSN-HNNXBMFYSA-N 0 0 397.504 2.881 40 0 GFABRN Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc[nH]2)cc(N(C)C)n1 ZINC000019240886 210236316 /nfs/dbraw/zinc/23/63/16/210236316.db2.gz ZPLXXCNONIGGKX-QGZVFWFLSA-N 0 0 389.463 2.769 40 0 GFABRN CNc1cc([C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)nc(-c2cccnc2)n1 ZINC000019238862 210234794 /nfs/dbraw/zinc/23/47/94/210234794.db2.gz JLVQBFZYGNBCEQ-MRXNPFEDSA-N 0 0 389.463 2.699 40 0 GFABRN Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)C4CC4)CCO3)c2)cc1 ZINC000019212634 210231651 /nfs/dbraw/zinc/23/16/51/210231651.db2.gz LFPIPOUAGXPKOD-HSZRJFAPSA-N 0 0 378.472 2.697 40 0 GFABRN Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C[C@@H]3NC(=O)C3[C@@H]4CCCC[C@H]34)C2)cc1 ZINC000019211702 210231183 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396.466 2.817 40 0 GFABRN CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1cccc(F)c1)C2 ZINC000019017353 210221022 /nfs/dbraw/zinc/22/10/22/210221022.db2.gz OLDCNWJMFHWBHO-FQEVSTJZSA-N 0 0 396.466 2.817 40 0 GFABRN CCn1nc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2c1=O ZINC000018891417 210219622 /nfs/dbraw/zinc/21/96/22/210219622.db2.gz JYXFCKBIOGFMSJ-CYBMUJFWSA-N 0 0 379.416 2.679 40 0 GFABRN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1OC ZINC000017959746 210211499 /nfs/dbraw/zinc/21/14/99/210211499.db2.gz GEEDMRRGFFCIAH-LLVKDONJSA-N 0 0 382.869 2.748 40 0 GFABRN CC(=O)Nc1ccc(/C=c2/sc3nnc(/C=C\c4ccccc4)n3c2=O)cc1 ZINC000017198137 210205908 /nfs/dbraw/zinc/20/59/08/210205908.db2.gz KBNBLYDQMCBEMG-HJCGTWLWSA-N 0 0 388.452 2.828 40 0 GFABRN CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)N3CCCC3)c21 ZINC000017081097 210204343 /nfs/dbraw/zinc/20/43/43/210204343.db2.gz JBZIUFMGUSHBMG-BOPFTXTBSA-N 0 0 396.516 2.514 40 0 GFABRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)CC3CCCCC3)cc2)CC1 ZINC000016740357 210195417 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380.481 2.510 40 0 biogenic,in-vitro GFABRN O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1)C1CCCC1 ZINC000096296402 560060330 /nfs/dbraw/zinc/06/03/30/560060330.db2.gz HUHKKTMPWIIJII-INIZCTEOSA-N 0 0 383.448 2.527 40 0 biogenic,in-vitro GFABRN c1cncc(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)c1 ZINC000035424619 560080865 /nfs/dbraw/zinc/08/08/65/560080865.db2.gz NLCIRKDYMLQAKJ-SFHVURJKSA-N 0 0 392.463 2.700 40 0 biogenic,in-vitro GFABRN CS(=O)(=O)c1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169724 560084121 /nfs/dbraw/zinc/08/41/21/560084121.db2.gz NNPQTQRVOKVSIX-INIZCTEOSA-N 0 0 384.461 2.525 40 0 biogenic,in-vitro GFABRN COc1ccc(C(=O)N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1OC ZINC000049171075 560084339 /nfs/dbraw/zinc/08/43/39/560084339.db2.gz QSWVRUOLCVQAFW-HNNXBMFYSA-N 0 0 380.404 2.779 40 0 biogenic,in-vitro GFABRN CC[NH+](CC)CC[C@H]1CN(C(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)[O-] ZINC000030879444 560090008 /nfs/dbraw/zinc/09/00/08/560090008.db2.gz HBHIGLWXGOODQS-ROUUACIJSA-N 0 0 376.497 2.980 40 0 biogenic,in-vitro GFABRN COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000005202360 560201337 /nfs/dbraw/zinc/20/13/37/560201337.db2.gz DPOVAJCRYIUTBD-HNNXBMFYSA-N 0 0 385.416 2.569 40 0 biogenic,in-vitro GFABRN CN1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529805 560212668 /nfs/dbraw/zinc/21/26/68/560212668.db2.gz WGAFTZYPBYVWBZ-HOCLYGCPSA-N 0 0 383.839 2.960 40 0 biogenic,in-vitro GFABRN Cc1ccccc1N(CC(=O)NCCSC1CCCCC1)S(C)(=O)=O ZINC000409027327 563560783 /nfs/dbraw/zinc/56/07/83/563560783.db2.gz AFYRUZVRHUCUNK-UHFFFAOYSA-N 0 0 384.567 2.943 40 0 GFABRN O=S(=O)(c1ccccc1)N1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000585105189 565103970 /nfs/dbraw/zinc/10/39/70/565103970.db2.gz PUMKTULPRNGIQS-MRXNPFEDSA-N 0 0 376.503 2.547 40 0 GFABRN Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCCc3ccccc3)C2)cc1C ZINC000585273412 570241531 /nfs/dbraw/zinc/24/15/31/570241531.db2.gz UQSOCBWYNMHDJP-DEOSSOPVSA-N 0 0 396.531 2.868 40 0 GFABRN 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CCc1ccccc1N(CC(=O)NCCOc1ccc(C)cc1)S(C)(=O)=O ZINC000022329825 570313589 /nfs/dbraw/zinc/31/35/89/570313589.db2.gz LFPQYYKOHQQCEF-UHFFFAOYSA-N 0 0 390.505 2.519 40 0 GFABRN COCc1nc(N2CCN(c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000022448562 570317220 /nfs/dbraw/zinc/31/72/20/570317220.db2.gz UYVMLSXUZRUIJX-UHFFFAOYSA-N 0 0 390.487 2.834 40 0 GFABRN N[C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1 ZINC000072227679 570318768 /nfs/dbraw/zinc/31/87/68/570318768.db2.gz JVUFMAVHLVFNIB-HOTGVXAUSA-N 0 0 375.222 2.636 40 0 GFABRN COc1ccc(CC(=O)Nc2ccc(NC(C)=O)cc2N2CCOCC2)cc1 ZINC000022636633 570323931 /nfs/dbraw/zinc/32/39/31/570323931.db2.gz BTWUXQAQLRXNFF-UHFFFAOYSA-N 0 0 383.448 2.671 40 0 GFABRN COc1ccc(CCNC(=O)C(=O)Nc2ccccc2Br)cc1 ZINC000048620540 570326845 /nfs/dbraw/zinc/32/68/45/570326845.db2.gz RQJQEYXBRDMIMX-UHFFFAOYSA-N 0 0 377.238 2.755 40 0 GFABRN O=C(CN1CCN(Cc2ccccc2F)CC1)Nc1ccnn1C1CCCC1 ZINC000022790252 570328375 /nfs/dbraw/zinc/32/83/75/570328375.db2.gz XTEIGSMMBUYZTF-UHFFFAOYSA-N 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570359382 /nfs/dbraw/zinc/35/93/82/570359382.db2.gz BUIRXUKDPLWXQU-UGNRZPKXSA-N 0 0 394.439 2.769 40 0 GFABRN COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000220346444 570385552 /nfs/dbraw/zinc/38/55/52/570385552.db2.gz RYBKRARBWAIMOS-AWEZNQCLSA-N 0 0 394.468 2.614 40 0 GFABRN CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220611672 570389325 /nfs/dbraw/zinc/38/93/25/570389325.db2.gz ANXAWNPAOPGWOJ-GOSISDBHSA-N 0 0 392.477 2.887 40 0 GFABRN Cc1cccc(C)c1NC(=O)Cn1c2cnnn2c2cc(Cl)ccc2c1=O ZINC000033313964 570406283 /nfs/dbraw/zinc/40/62/83/570406283.db2.gz UMOGWKFEJFOMFB-UHFFFAOYSA-N 0 0 381.823 2.953 40 0 GFABRN CCOC(=O)c1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)cc1 ZINC000222427096 570410168 /nfs/dbraw/zinc/41/01/68/570410168.db2.gz WWFDJJYNIMEPRM-UHFFFAOYSA-N 0 0 390.461 2.820 40 0 GFABRN COC(=O)c1cccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1C ZINC000222433408 570410632 /nfs/dbraw/zinc/41/06/32/570410632.db2.gz FLUOEHLTEGPSEX-UHFFFAOYSA-N 0 0 390.461 2.738 40 0 GFABRN 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CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000222393499 570409621 /nfs/dbraw/zinc/40/96/21/570409621.db2.gz REYOOJZOFGMIMG-QGZVFWFLSA-N 0 0 396.487 2.862 40 0 GFABRN Cc1ccccc1N(CCCC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222552259 570414286 /nfs/dbraw/zinc/41/42/86/570414286.db2.gz DNRVFAQOHGLDDT-UHFFFAOYSA-N 0 0 390.461 2.909 40 0 GFABRN Cc1cccc(CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 ZINC000222684397 570420711 /nfs/dbraw/zinc/42/07/11/570420711.db2.gz OKTVCRBTUDJYMX-UHFFFAOYSA-N 0 0 392.496 2.645 40 0 GFABRN CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000026895286 570429602 /nfs/dbraw/zinc/42/96/02/570429602.db2.gz DEGDZTPEJCXSMX-GOSISDBHSA-N 0 0 389.496 2.950 40 0 GFABRN C[C@@H](C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222923165 570431682 /nfs/dbraw/zinc/43/16/82/570431682.db2.gz ZOYJSNYETKODMU-AWEZNQCLSA-N 0 0 392.858 2.547 40 0 GFABRN CS(=O)(=O)N(CC(=O)Nc1cc(-c2cccc(F)c2)[nH]n1)C1CCCCC1 ZINC000223059027 570440657 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CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 ZINC000253404193 209219340 /nfs/dbraw/zinc/21/93/40/209219340.db2.gz QVMNPHGADVXUMJ-NRFANRHFSA-N 0 0 391.515 2.677 40 0 biogenic,in-vitro GFABRN COC[C@H]1CCCN1C(=O)c1c(-c2ccc(OC)c(OC)c2)noc1[C@H](C)O ZINC000253399680 209217374 /nfs/dbraw/zinc/21/73/74/209217374.db2.gz JTXSNVCNAZKOEW-GXTWGEPZSA-N 0 0 390.436 2.663 40 0 biogenic,in-vitro GFABRN CCOC(=O)[C@H]1CC(=O)[C@H](c2cccc(Cl)c2N2CCN(C(C)=O)CC2)C1 ZINC000057328099 209213459 /nfs/dbraw/zinc/21/34/59/209213459.db2.gz IXOLELMXQSNFFS-ZBFHGGJFSA-N 0 0 392.883 2.634 40 0 GFABRN O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCCC[C@@H]1CCO ZINC000033586012 209183161 /nfs/dbraw/zinc/18/31/61/209183161.db2.gz OPISTLJTCJWDJU-DXFLKOCDSA-N 0 0 388.489 2.877 40 0 GFABRN O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cccc2nonc21 ZINC000033538893 209183014 /nfs/dbraw/zinc/18/30/14/209183014.db2.gz KPQNVNIVXIVSGB-GHXNOFRVSA-N 0 0 386.414 2.959 40 0 GFABRN CCN(CC)C(=O)[C@H]1[C@@H]2NC(=S)N[C@@]1(C)Oc1ccc(Br)cc12 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385.514 2.904 40 0 GFABRN COCCN1CCC[C@@]2(CN(Cc3ccc(O)c(F)c3)CC(F)(F)C2)C1=O ZINC000306133872 212050903 /nfs/dbraw/zinc/05/09/03/212050903.db2.gz MYFMASCQMTWDPY-GOSISDBHSA-N 0 0 386.414 2.628 40 0 GFABRN Cn1cc(CN2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306135687 212050391 /nfs/dbraw/zinc/05/03/91/212050391.db2.gz OXVGPEIAVGLFOT-QFBILLFUSA-N 0 0 385.514 2.904 40 0 GFABRN CN1CCN(Cc2nccs2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306134192 212050285 /nfs/dbraw/zinc/05/02/85/212050285.db2.gz NFMBRTHALIQDIK-GOSISDBHSA-N 0 0 391.504 2.737 40 0 GFABRN COCCN1CCC[C@@]2(CN(Cc3cccnc3Cl)CC(F)(F)C2)C1=O ZINC000306133159 212050079 /nfs/dbraw/zinc/05/00/79/212050079.db2.gz MDRSTCAQZICZFT-QGZVFWFLSA-N 0 0 387.858 2.831 40 0 GFABRN CC(=O)N1CCC2(CC1)CN(C(=O)c1ccco1)Cc1c2nc(C)n1C(C)C ZINC000306127768 212047105 /nfs/dbraw/zinc/04/71/05/212047105.db2.gz GHENPDOONCDHDC-UHFFFAOYSA-N 0 0 384.480 2.902 40 0 GFABRN CC(C)(C)c1ccc(S(=O)(=O)N2CC[C@]3(C2)COCc2cncnc23)cc1 ZINC000306130032 212046827 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GFABRN COc1ccc(-c2n[nH]c3c2COC[C@]32CCN(C(=O)c3ccco3)C2)cc1 ZINC000306123496 212044589 /nfs/dbraw/zinc/04/45/89/212044589.db2.gz AOXAZBDNQFLUGI-OAQYLSRUSA-N 0 0 379.416 2.992 40 0 GFABRN CC(C)n1cnc([C@@H]2CN(C(=O)N3CCCC3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306122954 212043282 /nfs/dbraw/zinc/04/32/82/212043282.db2.gz AAMLPBLTZGLBNU-AVRDEDQJSA-N 0 0 399.539 2.708 40 0 GFABRN COc1cc(-c2cc(-c3cc4c(cc3C)n(C)c(=O)n4C)nn2C)ccc1O ZINC000257338714 212028020 /nfs/dbraw/zinc/02/80/20/212028020.db2.gz YYPYVMHGXLFZKA-UHFFFAOYSA-N 0 0 378.432 2.967 40 0 GFABRN Cc1cc(-c2nccn2C)nc(CC2CCN(C(=O)c3ccccn3)CC2)n1 ZINC000257332705 212025520 /nfs/dbraw/zinc/02/55/20/212025520.db2.gz XYIJGFDTSZSADA-UHFFFAOYSA-N 0 0 376.464 2.675 40 0 GFABRN CNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000257326494 212025896 /nfs/dbraw/zinc/02/58/96/212025896.db2.gz WXJUBGPLXLBXKU-OXQOHEQNSA-N 0 0 392.503 2.697 40 0 GFABRN CCCS(=O)(=O)N1CCC[C@H](Cc2cc(Nc3cc(C)[nH]n3)nc(C)n2)C1 ZINC000257327734 212025940 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CCN1C(=O)CC[C@@H](C(=O)NCc2ccncc2)[C@@H]1c1ccc(OC)cc1OC ZINC000257292584 212018802 /nfs/dbraw/zinc/01/88/02/212018802.db2.gz QMEWLXHKHLVRCC-NQIIRXRSSA-N 0 0 397.475 2.715 40 0 GFABRN CN(C)S(=O)(=O)N1CCC[C@@](C)(c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257263606 212012832 /nfs/dbraw/zinc/01/28/32/212012832.db2.gz LQSMCUPIVGBJCR-GOSISDBHSA-N 0 0 381.473 2.564 40 0 GFABRN O=C(N1CCO[C@H](c2cnccn2)C1)C1(Cc2ccccc2F)CCOCC1 ZINC000257256624 212011925 /nfs/dbraw/zinc/01/19/25/212011925.db2.gz KMGKRBRFGRREEV-IBGZPJMESA-N 0 0 385.439 2.555 40 0 GFABRN CC(=O)N1[C@@H](CNC(=O)c2ccc3ccccc3n2)C[C@]2(C)[C@H]1CCCC[C@@H]2O ZINC000257258013 212011797 /nfs/dbraw/zinc/01/17/97/212011797.db2.gz KSAULPBEYLFDOX-PIBIMKELSA-N 0 0 395.503 2.895 40 0 GFABRN OCCCNc1nc(Nc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000329057752 209160252 /nfs/dbraw/zinc/16/02/52/209160252.db2.gz VXYNXOLEQBWOMK-UHFFFAOYSA-N 0 0 391.191 2.640 40 0 GFABRN CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1C(=O)c1cc(C(C)C)no1 ZINC000257244622 212010379 /nfs/dbraw/zinc/01/03/79/212010379.db2.gz IMCSPVRMCMKCAU-SKBHOOIQSA-N 0 0 391.512 2.849 40 0 GFABRN CC(=O)N1CCC(Cc2cc(N3C(=O)OC[C@@H]3Cc3ccccc3)ncn2)CC1 ZINC000257201180 212001083 /nfs/dbraw/zinc/00/10/83/212001083.db2.gz AGRBTHPKQIMDFS-FQEVSTJZSA-N 0 0 394.475 2.846 40 0 GFABRN Cc1cc(-c2ccc(N)nc2)cc([C@H]2CN(C(=O)c3ccccn3)CCO2)n1 ZINC000257228104 212006731 /nfs/dbraw/zinc/00/67/31/212006731.db2.gz FSHLGXJIYQUCCT-LJQANCHMSA-N 0 0 375.432 2.643 40 0 GFABRN COc1ccc(Nc2cc(C3CC3)nc(N[C@@H](C)CO)n2)cc1C(F)(F)F ZINC000329033758 209157553 /nfs/dbraw/zinc/15/75/53/209157553.db2.gz QVVJGLWTQFIGPF-JTQLQIEISA-N 0 0 382.386 2.762 40 0 GFABRN Cn1c(CO[C@H]2CN(C(=O)COc3ccccc3)C[C@H]2F)nc2ccccc21 ZINC000096111985 211963399 /nfs/dbraw/zinc/96/33/99/211963399.db2.gz SWWJOXFQZAJJHU-APWZRJJASA-N 0 0 383.423 2.718 40 0 biogenic,in-vitro GFABRN COc1ccc(NC(=O)C2(C3(C(=O)N4CCOCC4)CC3)CC2)cc1Cl ZINC000225927360 211936137 /nfs/dbraw/zinc/93/61/37/211936137.db2.gz RCOBNCZHXQFZFE-UHFFFAOYSA-N 0 0 378.856 2.706 40 0 GFABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(C(F)(F)F)n1 ZINC000328982378 209154721 /nfs/dbraw/zinc/15/47/21/209154721.db2.gz GZNNNQJCNLQRGZ-LBPRGKRZSA-N 0 0 390.793 2.871 40 0 GFABRN O=C1OC[C@@H]2CCN(S(=O)(=O)Cc3ccccc3)Cc3ccc(F)cc3N12 ZINC000225485340 211900943 /nfs/dbraw/zinc/90/09/43/211900943.db2.gz CPUONOCYHFAEKD-KRWDZBQOSA-N 0 0 390.436 2.887 40 0 biogenic,in-vitro GFABRN OCCNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccnc2)n1 ZINC000328961422 209153683 /nfs/dbraw/zinc/15/36/83/209153683.db2.gz BCMRFKMSSZXGFP-UHFFFAOYSA-N 0 0 376.247 2.837 40 0 GFABRN CCNC(=O)c1ccc(OCC)c(CN(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000224797958 211872317 /nfs/dbraw/zinc/87/23/17/211872317.db2.gz ZEJFMLRYJBRJIB-UHFFFAOYSA-N 0 0 394.468 2.940 40 0 GFABRN CCOC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224637745 211869759 /nfs/dbraw/zinc/86/97/59/211869759.db2.gz MMRRCBSPYACFGY-UHFFFAOYSA-N 0 0 393.461 2.771 40 0 GFABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1OC ZINC000224050559 211852329 /nfs/dbraw/zinc/85/23/29/211852329.db2.gz RBOQROCVDPZFGT-KRWDZBQOSA-N 0 0 384.476 2.670 40 0 GFABRN Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)c(C)c1 ZINC000223621197 211838434 /nfs/dbraw/zinc/83/84/34/211838434.db2.gz SWJRZAQNPDBARW-UHFFFAOYSA-N 0 0 378.469 2.567 40 0 GFABRN CCOC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)c1C ZINC000223793424 211843563 /nfs/dbraw/zinc/84/35/63/211843563.db2.gz UVFGLBCORGJXAE-UHFFFAOYSA-N 0 0 377.418 2.759 40 0 GFABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCCO)c2ccccc2)cc1 ZINC000223554026 211836818 /nfs/dbraw/zinc/83/68/18/211836818.db2.gz SDHMZEXBSGITTM-HXUWFJFHSA-N 0 0 384.476 2.530 40 0 GFABRN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 ZINC000222484113 211803897 /nfs/dbraw/zinc/80/38/97/211803897.db2.gz OGAPCUJMMHZJAN-INIZCTEOSA-N 0 0 390.505 2.897 40 0 GFABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1 ZINC000222536437 211802607 /nfs/dbraw/zinc/80/26/07/211802607.db2.gz ZUCMZJRUMUZNHC-AWEZNQCLSA-N 0 0 390.867 2.891 40 0 GFABRN CC1(C)C[C@@H](NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c2ccccc2O1 ZINC000219018141 211764118 /nfs/dbraw/zinc/76/41/18/211764118.db2.gz AMSLVJUMBKZMIF-HLLBOEOZSA-N 0 0 382.460 2.746 40 0 GFABRN C[C@@H]1CCCN(C(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)C1 ZINC000004973404 211559713 /nfs/dbraw/zinc/55/97/13/211559713.db2.gz DIIAUYYRLXBGJU-CYBMUJFWSA-N 0 0 382.489 2.715 40 0 GFABRN Cn1c(C(=O)O[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc2sccc21 ZINC000004923933 211556631 /nfs/dbraw/zinc/55/66/31/211556631.db2.gz HBMYNVJUXAQLCB-KSSFIOAISA-N 0 0 399.472 2.828 40 0 GFABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1 ZINC000004890355 211555529 /nfs/dbraw/zinc/55/55/29/211555529.db2.gz HKSSRZUWHIEPKD-MRXNPFEDSA-N 0 0 388.493 2.807 40 0 GFABRN CCOc1cccc(OCC)c1NC(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000004184523 211534793 /nfs/dbraw/zinc/53/47/93/211534793.db2.gz NZROAFXEUCBMHM-UHFFFAOYSA-N 0 0 385.399 2.915 40 0 GFABRN COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000144931593 211496326 /nfs/dbraw/zinc/49/63/26/211496326.db2.gz XCONYWNGLCQIEW-UHFFFAOYSA-N 0 0 380.491 2.676 40 0 GFABRN COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1NC(C)=O ZINC000113971097 211470576 /nfs/dbraw/zinc/47/05/76/211470576.db2.gz DJIIMPTWNWMLRQ-UHFFFAOYSA-N 0 0 392.477 2.919 40 0 GFABRN COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(F)cc1 ZINC000113893294 211469482 /nfs/dbraw/zinc/46/94/82/211469482.db2.gz RIGXZHISAVMYBO-UHFFFAOYSA-N 0 0 387.816 2.856 40 0 GFABRN O=C(c1ccccc1Cl)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2C=Cc3cc(F)ccc3N21 ZINC000101471556 211399856 /nfs/dbraw/zinc/39/98/56/211399856.db2.gz NVPOKVXVPBYCIS-TVFCKZIOSA-N 0 0 396.805 2.835 40 0 GFABRN CC(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc(F)cc1 ZINC000101176174 211396595 /nfs/dbraw/zinc/39/65/95/211396595.db2.gz XJTOZJAEUQGOBW-RYLXDESZSA-N 0 0 394.439 2.769 40 0 GFABRN Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(CC(=O)Nc2ccccc2)n1 ZINC000017079483 211373779 /nfs/dbraw/zinc/37/37/79/211373779.db2.gz REQLAMCCVYTUCG-UHFFFAOYSA-N 0 0 389.463 2.940 40 0 GFABRN Cc1nn(CC(=O)Nc2ccc(C(N)=O)cc2)c2nc(C)cc(C(F)(F)F)c12 ZINC000017079887 211372980 /nfs/dbraw/zinc/37/29/80/211372980.db2.gz KEZSYVGETABOTQ-UHFFFAOYSA-N 0 0 391.353 2.805 40 0 GFABRN CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)NCc4cccc(F)c4)C[C@@H]32)C(=O)N1CC ZINC000096261609 211326939 /nfs/dbraw/zinc/32/69/39/211326939.db2.gz RFUXPNGSLXACCF-LDBYXDLTSA-N 0 0 386.471 2.787 40 0 GFABRN Cc1ccc(S(=O)(=O)N2CCCn3cnc(CN(C)C(C)C)c3C2)cc1 ZINC000096259266 211325298 /nfs/dbraw/zinc/32/52/98/211325298.db2.gz YZWVTIRAAAAXHH-UHFFFAOYSA-N 0 0 376.526 2.626 40 0 GFABRN Cc1nc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccn23)cn1C(C)C ZINC000096154943 211312348 /nfs/dbraw/zinc/31/23/48/211312348.db2.gz MFMPLIUZGRSBIG-UHFFFAOYSA-N 0 0 395.507 2.754 40 0 GFABRN O=C(c1ccccc1)N1CC[C@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096244219 211324427 /nfs/dbraw/zinc/32/44/27/211324427.db2.gz AKRSTMPCUVSIMD-QFIPXVFZSA-N 0 0 390.443 2.996 40 0 GFABRN O=C(Cc1ccccc1)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC000096239015 211323466 /nfs/dbraw/zinc/32/34/66/211323466.db2.gz XSRAFNQZLZMLDQ-QFIPXVFZSA-N 0 0 378.428 2.613 40 0 GFABRN Cn1cnc2c1[C@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1ccccc1)CC2 ZINC000096088040 211300728 /nfs/dbraw/zinc/30/07/28/211300728.db2.gz BGTHRLXYPBGCBU-LJQANCHMSA-N 0 0 378.407 2.938 40 0 GFABRN CN(C)C(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC1CC1)c1ccccc1O2 ZINC000096053137 211298466 /nfs/dbraw/zinc/29/84/66/211298466.db2.gz ZGCNWTMVUOWNGI-KRWDZBQOSA-N 0 0 385.508 2.985 40 0 GFABRN CNc1nc([C@@H]2CCCCN2C(=O)C2CCCC2)nc2c1CN(C(C)=O)CC2 ZINC000072372198 211103485 /nfs/dbraw/zinc/10/34/85/211103485.db2.gz OVTHIRXZCQVNPX-SFHVURJKSA-N 0 0 385.512 2.667 40 0 GFABRN COc1cccc(Oc2cc(C)nc([C@@H]3CCN(C(=O)c4cnn(C)c4)C3)n2)c1 ZINC000072384306 211107871 /nfs/dbraw/zinc/10/78/71/211107871.db2.gz QKZXWLUZYYMAMT-OAHLLOKOSA-N 0 0 393.447 2.949 40 0 GFABRN COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 ZINC000072345473 211095262 /nfs/dbraw/zinc/09/52/62/211095262.db2.gz MCKFFKRWSFBKLP-IBGZPJMESA-N 0 0 396.491 2.792 40 0 GFABRN Cc1nccc(-c2ccc(-c3noc(CN4CCC5(CC4)OCCO5)n3)cc2)n1 ZINC000072339986 211092819 /nfs/dbraw/zinc/09/28/19/211092819.db2.gz NJXNLUVFIURLER-UHFFFAOYSA-N 0 0 393.447 2.841 40 0 GFABRN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)c1 ZINC000072359021 211101563 /nfs/dbraw/zinc/10/15/63/211101563.db2.gz BXLNDLUOJAGART-MRXNPFEDSA-N 0 0 390.447 2.845 40 0 GFABRN COc1ccc(-c2cccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)n2)cc1 ZINC000072349289 211097232 /nfs/dbraw/zinc/09/72/32/211097232.db2.gz MGNMILRIRWJQQN-INIZCTEOSA-N 0 0 375.494 2.743 40 0 GFABRN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ncc[nH]2)C1 ZINC000072352214 211097001 /nfs/dbraw/zinc/09/70/01/211097001.db2.gz VYYNILDIKWPLBK-CQSZACIVSA-N 0 0 384.505 2.990 40 0 GFABRN CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349309 211096658 /nfs/dbraw/zinc/09/66/58/211096658.db2.gz MLHCZPAQCHSBFG-INIZCTEOSA-N 0 0 377.485 2.797 40 0 GFABRN CCOC(=O)[C@H](C(C)=O)C(c1cc(F)cc(F)c1)[C@@H](C(C)=O)C(=O)OCC ZINC000066054495 211000599 /nfs/dbraw/zinc/00/05/99/211000599.db2.gz MSJLSONBWFGZRX-HZPDHXFCSA-N 0 0 384.375 2.585 40 0 GFABRN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000055546653 210889606 /nfs/dbraw/zinc/88/96/06/210889606.db2.gz QUXHHQGZTXVBAX-UHFFFAOYSA-N 0 0 397.294 2.929 40 0 GFABRN COc1ccccc1-c1c2c(ccn(-c3ccccn3)c2=O)nc2nc(C)nn21 ZINC000040398470 210786755 /nfs/dbraw/zinc/78/67/55/210786755.db2.gz XSTKFCALHFHPLT-UHFFFAOYSA-N 0 0 384.399 2.807 40 0 GFABRN CCc1nn2c(nnc(C(=O)OC)c2CC(=O)OC)c1-c1cccc(Cl)c1 ZINC000040385013 210784413 /nfs/dbraw/zinc/78/44/13/210784413.db2.gz YPWHFUUJYSPOOH-UHFFFAOYSA-N 0 0 388.811 2.509 40 0 GFABRN C[C@@H]1[C@@H]2C[C@H](C[C@@H]1OC(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)C2(C)C ZINC000040073549 210769411 /nfs/dbraw/zinc/76/94/11/210769411.db2.gz QNHJMTKJDFGIIU-NYTXWWLZSA-N 0 0 397.493 2.528 40 0 GFABRN O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc2ccccc2oc1=O ZINC000028284116 210524647 /nfs/dbraw/zinc/52/46/47/210524647.db2.gz LPCHICKFFYTCDW-ZIAGYGMSSA-N 0 0 386.429 2.529 40 0 GFABRN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 ZINC000026407082 210497062 /nfs/dbraw/zinc/49/70/62/210497062.db2.gz ULMORPWJYUZHIC-HNNXBMFYSA-N 0 0 382.416 2.619 40 0 GFABRN CC[C@H](C)NC(=O)COc1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000022230941 210407203 /nfs/dbraw/zinc/40/72/03/210407203.db2.gz AHEGGEOZQGHXQF-INIZCTEOSA-N 0 0 390.505 2.946 40 0 GFABRN CCN(c1ccc(C(=O)N(C)Cc2ccccc2OC)cc1)S(C)(=O)=O ZINC000020481479 210339990 /nfs/dbraw/zinc/33/99/90/210339990.db2.gz UKFLWVNTWLMYMI-UHFFFAOYSA-N 0 0 376.478 2.753 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)Cc1ccc(C)cc1 ZINC000020488787 210340153 /nfs/dbraw/zinc/34/01/53/210340153.db2.gz CMCMMMZPHBYRIE-UHFFFAOYSA-N 0 0 388.489 2.969 40 0 GFABRN Cc1cc(C)cc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 ZINC000020245046 210325149 /nfs/dbraw/zinc/32/51/49/210325149.db2.gz RWIUFODWXJANBC-UHFFFAOYSA-N 0 0 379.457 2.694 40 0 GFABRN COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N(C)C ZINC000020024861 210312759 /nfs/dbraw/zinc/31/27/59/210312759.db2.gz QXJJNVRXOTVEGX-QGZVFWFLSA-N 0 0 388.489 2.753 40 0 GFABRN CCOc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000020041601 210312338 /nfs/dbraw/zinc/31/23/38/210312338.db2.gz TZINQFIGSNUXIN-CQSZACIVSA-N 0 0 394.468 2.868 40 0 GFABRN CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930259 210308685 /nfs/dbraw/zinc/30/86/85/210308685.db2.gz BLYHVTHTTYZHCG-UHFFFAOYSA-N 0 0 388.917 2.762 40 0 GFABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)c(C)c1 ZINC000019931276 210308414 /nfs/dbraw/zinc/30/84/14/210308414.db2.gz RKKKOIIDUMVDAR-IBGZPJMESA-N 0 0 386.517 2.780 40 0 GFABRN CCOc1cccc(CNC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)c1 ZINC000019933310 210308164 /nfs/dbraw/zinc/30/81/64/210308164.db2.gz QUHQBVSBGSYCDH-IBGZPJMESA-N 0 0 390.505 2.946 40 0 GFABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)CC)cc1 ZINC000019886516 210304737 /nfs/dbraw/zinc/30/47/37/210304737.db2.gz HZRBFXPCLZMUFB-UHFFFAOYSA-N 0 0 389.477 2.840 40 0 GFABRN CNc1nc(C2CCN(C(=O)CC3CCCC3)CC2)nc2c1CCN(C(C)=O)C2 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2.869 40 0 GFABRN Cc1ncsc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000019746441 210290420 /nfs/dbraw/zinc/29/04/20/210290420.db2.gz KMVCQFJRZXMHKN-INIZCTEOSA-N 0 0 387.509 2.722 40 0 GFABRN CC(=O)N1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1oc3ccccc3c1C)C2 ZINC000019705522 210283864 /nfs/dbraw/zinc/28/38/64/210283864.db2.gz MZFSIFMIQQWJLQ-MRXNPFEDSA-N 0 0 393.447 2.672 40 0 GFABRN CCS(=O)(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CC1)CCC2 ZINC000019706864 210284016 /nfs/dbraw/zinc/28/40/16/210284016.db2.gz KAKZOQCSZSAPCT-KRWDZBQOSA-N 0 0 378.542 2.824 40 0 GFABRN Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CCn2cnnn2)n1 ZINC000019692021 210282663 /nfs/dbraw/zinc/28/26/63/210282663.db2.gz KJOCMNSLNDFBRB-FQEVSTJZSA-N 0 0 394.454 2.860 40 0 GFABRN Cc1nnnn1-c1cccc(C(=O)NCCc2cn(C)c3ccc(F)cc23)c1 ZINC000019662372 210279147 /nfs/dbraw/zinc/27/91/47/210279147.db2.gz ZJNVJHGKRGGBPS-UHFFFAOYSA-N 0 0 378.411 2.574 40 0 GFABRN Cc1cc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)nc(N2CCCCC2)n1 ZINC000019660386 210276777 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COc1ccc(CCC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000015197885 221334378 /nfs/dbraw/zinc/33/43/78/221334378.db2.gz DSTJECZHFCHHQB-CQSZACIVSA-N 0 0 391.489 2.917 40 0 GFABRN O=C(NC1CCCCC1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675906 221338794 /nfs/dbraw/zinc/33/87/94/221338794.db2.gz UQURCJIPBZCAIQ-KRWDZBQOSA-N 0 0 393.451 2.996 40 0 biogenic,in-vitro GFABRN O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccccc1Cl ZINC000017877430 221384691 /nfs/dbraw/zinc/38/46/91/221384691.db2.gz SXZAEKCZHOQZQL-SFHVURJKSA-N 0 0 387.842 2.933 40 0 GFABRN Cc1c(NC(=O)c2cccc(N3CCCC3=O)c2)c(=O)n(-c2ccccc2)n1C ZINC000018076740 221387162 /nfs/dbraw/zinc/38/71/62/221387162.db2.gz BEGPDWDEDDDUMA-UHFFFAOYSA-N 0 0 390.443 2.864 40 0 GFABRN COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4C)ncc3C2)c1 ZINC000019079316 221394645 /nfs/dbraw/zinc/39/46/45/221394645.db2.gz QCHREHBMHBYQFG-YWZLYKJASA-N 0 0 396.491 2.604 40 0 GFABRN CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 ZINC000019018991 221395693 /nfs/dbraw/zinc/39/56/93/221395693.db2.gz PCLBMBFJCXWPLS-SFHVURJKSA-N 0 0 398.438 2.593 40 0 GFABRN COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)N4CCCN4[C@]3(C)C2=O)cc1 ZINC000019169293 221398632 /nfs/dbraw/zinc/39/86/32/221398632.db2.gz HADLUEXZIMKMLH-DXIQSLLYSA-N 0 0 377.444 2.621 40 0 GFABRN O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)c1ccccn1 ZINC000019400350 221412125 /nfs/dbraw/zinc/41/21/25/221412125.db2.gz CSAZYQPPSNTUFA-UHFFFAOYSA-N 0 0 376.445 2.894 40 0 GFABRN C[C@@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000019457399 221414036 /nfs/dbraw/zinc/41/40/36/221414036.db2.gz SUGYLXFAQMMRFE-AWEZNQCLSA-N 0 0 390.871 2.813 40 0 GFABRN COc1c(C)cccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(C)=O)ncc2C1 ZINC000019235852 221401771 /nfs/dbraw/zinc/40/17/71/221401771.db2.gz CUNFKPPZURSTLT-IBGZPJMESA-N 0 0 394.475 2.676 40 0 GFABRN Cc1nn(C)c(C)c1CN(C)C(=O)COc1ccccc1-n1cnnc1C1CC1 ZINC000019577728 221430667 /nfs/dbraw/zinc/43/06/67/221430667.db2.gz UTQHUSJOELLKRW-UHFFFAOYSA-N 0 0 394.479 2.532 40 0 GFABRN CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 ZINC000019502136 221416988 /nfs/dbraw/zinc/41/69/88/221416988.db2.gz KCEVYYSXRGMEHG-RTWAWAEBSA-N 0 0 398.555 2.901 40 0 GFABRN Cc1ccccc1OC1CCN(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000019664342 221440425 /nfs/dbraw/zinc/44/04/25/221440425.db2.gz WHWRSKBHKQMCDK-UHFFFAOYSA-N 0 0 395.459 2.922 40 0 GFABRN Nc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)C4CCC4)CC3)nc2n1 ZINC000019743257 221447976 /nfs/dbraw/zinc/44/79/76/221447976.db2.gz GNBVNLJZPPKMAJ-UHFFFAOYSA-N 0 0 394.401 2.714 40 0 GFABRN Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000020018905 221468742 /nfs/dbraw/zinc/46/87/42/221468742.db2.gz CRDCXHIYMKRPCB-UHFFFAOYSA-N 0 0 380.441 2.838 40 0 GFABRN COc1ccc(Cl)cc1N(CC(=O)N(C)C1CCCCC1)S(C)(=O)=O ZINC000020109079 221473517 /nfs/dbraw/zinc/47/35/17/221473517.db2.gz VILZTZJRFLZEJK-UHFFFAOYSA-N 0 0 388.917 2.906 40 0 GFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CCc1ccccc1 ZINC000020488336 221492953 /nfs/dbraw/zinc/49/29/53/221492953.db2.gz 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395.456 2.979 40 0 GFABRN C[C@H](CCc1ccccc1)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000022230812 221554790 /nfs/dbraw/zinc/55/47/90/221554790.db2.gz JPGXYGGWKXJREA-MRXNPFEDSA-N 0 0 390.505 2.599 40 0 GFABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NC(C)(C)C ZINC000022248430 221556736 /nfs/dbraw/zinc/55/67/36/221556736.db2.gz IDQHVCBTLNRVAJ-UHFFFAOYSA-N 0 0 376.906 2.664 40 0 GFABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)NCc1ccc(Cl)cc1 ZINC000022251484 221557096 /nfs/dbraw/zinc/55/70/96/221557096.db2.gz FNDCNGMNWCHSDN-UHFFFAOYSA-N 0 0 382.869 2.674 40 0 GFABRN CCc1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000030854931 221704882 /nfs/dbraw/zinc/70/48/82/221704882.db2.gz XZOVTSBMUOCTMW-UHFFFAOYSA-N 0 0 379.457 2.640 40 0 GFABRN CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 ZINC000030868049 221706832 /nfs/dbraw/zinc/70/68/32/221706832.db2.gz VZEWCKJEVDLUCY-MRXNPFEDSA-N 0 0 380.853 2.530 40 0 GFABRN CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000043220457 221948780 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O=C(NCCc1ccncc1)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339092 222230050 /nfs/dbraw/zinc/23/00/50/222230050.db2.gz QLHHWEITWDYDSE-PSHPWPFNSA-N 0 0 391.471 2.695 40 0 GFABRN CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(Cc2ccco2)CC1 ZINC000072335857 222230584 /nfs/dbraw/zinc/23/05/84/222230584.db2.gz OZBFCZOHSNIDPT-UHFFFAOYSA-N 0 0 398.488 2.915 40 0 GFABRN CC(C)OC(=O)[C@@H]1CCN(C(=O)CCCn2cncn2)[C@@H]1c1ccc(F)cc1 ZINC000072342751 222231989 /nfs/dbraw/zinc/23/19/89/222231989.db2.gz PTJJIIMRPKCVMN-IEBWSBKVSA-N 0 0 388.443 2.739 40 0 GFABRN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)Cc2ccccn2)nc1C ZINC000072345507 222232434 /nfs/dbraw/zinc/23/24/34/222232434.db2.gz RZBPHOVHSONHCV-IBGZPJMESA-N 0 0 395.507 2.958 40 0 GFABRN CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349310 222236445 /nfs/dbraw/zinc/23/64/45/222236445.db2.gz MLHCZPAQCHSBFG-MRXNPFEDSA-N 0 0 377.485 2.797 40 0 GFABRN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 ZINC000072349691 222236827 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COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2C(=O)c2cc[nH]n2)c1 ZINC000072377115 222244262 /nfs/dbraw/zinc/24/42/62/222244262.db2.gz XOHUHLVXWHSNED-KRWDZBQOSA-N 0 0 378.436 2.825 40 0 GFABRN CCC(=O)N1CCO[C@](Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)C1 ZINC000072389182 222247305 /nfs/dbraw/zinc/24/73/05/222247305.db2.gz KCNTYWMAWMJYEU-QHCPKHFHSA-N 0 0 395.503 2.823 40 0 GFABRN CN1C(=O)S[C@@H](CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)C1=O ZINC000072396262 222250452 /nfs/dbraw/zinc/25/04/52/222250452.db2.gz RDFUQPGUAKTZPG-RDJZCZTQSA-N 0 0 398.488 2.509 40 0 GFABRN CN(C(=O)[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079440351 222305455 /nfs/dbraw/zinc/30/54/55/222305455.db2.gz YYXPLXZRAIALIV-PBHICJAKSA-N 0 0 376.453 2.684 40 0 GFABRN O=C(c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12)N1CCCCO1 ZINC000096037973 222374047 /nfs/dbraw/zinc/37/40/47/222374047.db2.gz NKGUCBMRCMPTBT-UHFFFAOYSA-N 0 0 380.433 2.811 40 0 GFABRN O=C(c1ccnnc1)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC000096062763 222377588 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CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2([NH3+])C(=O)[O-])cc1 ZINC000218659571 553054068 /nfs/dbraw/zinc/05/40/68/553054068.db2.gz LAVGVDDIQPWLTO-XYJFISCASA-N 0 0 379.865 2.624 40 0 GFABRN CSc1cccc(N(CC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000220073090 553055043 /nfs/dbraw/zinc/05/50/43/553055043.db2.gz CVWDIFGUWHCUSI-UHFFFAOYSA-N 0 0 382.482 2.630 40 0 GFABRN CSc1cccc(N(CC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1 ZINC000220058756 553055216 /nfs/dbraw/zinc/05/52/16/553055216.db2.gz ZYDLJFFBWXUPBA-UHFFFAOYSA-N 0 0 378.519 2.833 40 0 GFABRN CN(c1cccc(NC(=S)NCCSCc2ccco2)c1)S(C)(=O)=O ZINC000225347841 553059101 /nfs/dbraw/zinc/05/91/01/553059101.db2.gz FPWWABXMBISZNV-UHFFFAOYSA-N 0 0 399.563 2.895 40 0 GFABRN O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2cc(O)ccc21 ZINC000225819653 553060433 /nfs/dbraw/zinc/06/04/33/553060433.db2.gz DYIZZEVREABRDZ-UHFFFAOYSA-N 0 0 379.459 2.642 40 0 GFABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCOCC3)n2)cc1 ZINC000225946491 553060714 /nfs/dbraw/zinc/06/07/14/553060714.db2.gz BUZIZTJXTPLFCE-UHFFFAOYSA-N 0 0 377.901 2.762 40 0 GFABRN COc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(Cl)cc2)cc1 ZINC000225951390 553060942 /nfs/dbraw/zinc/06/09/42/553060942.db2.gz VJRNMBGBMRQFNN-MRXNPFEDSA-N 0 0 382.869 2.968 40 0 GFABRN COC[C@]1(C(N)=S)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252516405 553149691 /nfs/dbraw/zinc/14/96/91/553149691.db2.gz SJBRWGDXJVFINB-SCTDSRPQSA-N 0 0 375.515 2.854 40 0 GFABRN COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2cccc(F)c2)CC[C@@]1(C)O ZINC000514290045 560030761 /nfs/dbraw/zinc/03/07/61/560030761.db2.gz RHNLDBSIIBEXBU-FDFHNCONSA-N 0 0 386.467 2.655 40 0 biogenic,in-vitro GFABRN CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)[C@H]1C(C)(C)CC[C@@H]2O ZINC000248048310 560036706 /nfs/dbraw/zinc/03/67/06/560036706.db2.gz AKSMCYXVBDZJRK-ZCTIPADRSA-N 0 0 380.481 2.510 40 0 biogenic,in-vitro GFABRN O=C(Nc1ccccc1)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccccc3)CO[C@H]12 ZINC000004222807 560197572 /nfs/dbraw/zinc/19/75/72/560197572.db2.gz BMYDXSFPZVRJMP-BSDSXHPESA-N 0 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LCWTYCXIEAWMEB-GOSISDBHSA-N 0 0 378.469 2.995 40 0 GFABRN COc1ccc(C[C@@H](CO)[C@@H](CO)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000014437643 221310873 /nfs/dbraw/zinc/31/08/73/221310873.db2.gz RCYOEYNMEUHMEP-HDICACEKSA-N 0 0 390.476 2.723 40 0 GFABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015472036 221336288 /nfs/dbraw/zinc/33/62/88/221336288.db2.gz AAHHCAWDDMIFFG-HNNXBMFYSA-N 0 0 388.489 2.971 40 0 GFABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015472034 221336425 /nfs/dbraw/zinc/33/64/25/221336425.db2.gz AAHHCAWDDMIFFG-OAHLLOKOSA-N 0 0 388.489 2.971 40 0 GFABRN Cn1c(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)nc2ccccc21 ZINC000015674663 221338759 /nfs/dbraw/zinc/33/87/59/221338759.db2.gz DCUIWURMTZZULG-APWZRJJASA-N 0 0 389.459 2.855 40 0 biogenic,in-vitro GFABRN c1nc2c([nH]1)CN(CCCc1ccccc1)[C@H](c1nc(-c3cnccn3)no1)C2 ZINC000015675486 221339261 /nfs/dbraw/zinc/33/92/61/221339261.db2.gz QSLSNMIBESNQPE-IBGZPJMESA-N 0 0 387.447 2.982 40 0 biogenic,in-vitro GFABRN 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COc1cccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c1 ZINC000019020394 221395103 /nfs/dbraw/zinc/39/51/03/221395103.db2.gz GQTMQOGARFLDRQ-QFIPXVFZSA-N 0 0 381.476 2.749 40 0 GFABRN CC(C)C(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](CC1CC1)CC3 ZINC000019085654 221396317 /nfs/dbraw/zinc/39/63/17/221396317.db2.gz FKEAUUVJINHFKN-IBGZPJMESA-N 0 0 397.523 2.913 40 0 GFABRN Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)c(=O)n1C ZINC000019131630 221398131 /nfs/dbraw/zinc/39/81/31/221398131.db2.gz RIABOTXVSXMJCS-ZDUSSCGKSA-N 0 0 384.461 2.825 40 0 GFABRN CCN1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccccc2OC)CC1 ZINC000019528098 221423493 /nfs/dbraw/zinc/42/34/93/221423493.db2.gz RRUIPYYTQTVLSY-HXUWFJFHSA-N 0 0 384.528 2.914 40 0 GFABRN COCc1ccc(C(=O)N2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000019594422 221435391 /nfs/dbraw/zinc/43/53/91/221435391.db2.gz BZECGEKFEZMECF-QFIPXVFZSA-N 0 0 380.444 2.630 40 0 GFABRN COCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2OC)c(C)n1 ZINC000019755647 221451994 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biogenic,in-vitro GFABRN CCn1c2ccc(-c3cncn3[C@@H](C)CN3CCOCC3)cc2n(CC)c1=O ZINC000019719640 570210468 /nfs/dbraw/zinc/21/04/68/570210468.db2.gz BELQRQVEGHQADC-INIZCTEOSA-N 0 0 383.496 2.600 40 0 GFABRN COc1ccc(CCn2cncc2-c2cnc(N3CCOCC3)nc2)cc1C ZINC000019719326 570210486 /nfs/dbraw/zinc/21/04/86/570210486.db2.gz KKPUZDAXHPTZPL-UHFFFAOYSA-N 0 0 379.464 2.736 40 0 GFABRN COc1ccc([C@@H](C)n2cncc2-c2cnc(N3CCOCC3)nc2)cc1OC ZINC000019719351 570210546 /nfs/dbraw/zinc/21/05/46/570210546.db2.gz YSFYJYUKJVNOHL-OAHLLOKOSA-N 0 0 395.463 2.803 40 0 GFABRN NC(=O)CCC(=O)N1CCc2nc(-c3cccc(C(F)(F)F)c3)sc2C1 ZINC000019719841 570211014 /nfs/dbraw/zinc/21/10/14/570211014.db2.gz SESJMZMWRAAWMD-UHFFFAOYSA-N 0 0 383.395 2.979 40 0 GFABRN Cc1ccc([C@@H]2CCCN2C(=O)c2cccn(CC(=O)N(C)C)c2=O)cc1C ZINC000019745680 570213552 /nfs/dbraw/zinc/21/35/52/570213552.db2.gz RRAHEJLBILGEBU-IBGZPJMESA-N 0 0 381.476 2.531 40 0 GFABRN Cc1c([C@H](C)NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)cnn1C ZINC000019748331 570214376 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GFABRN CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000019020324 221394702 /nfs/dbraw/zinc/39/47/02/221394702.db2.gz XLAOIEIMFMGGEP-LAUBAEHRSA-N 0 0 395.459 2.582 40 0 GFABRN COc1ccccc1O[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCN3C)ncc2C1 ZINC000019079330 221394787 /nfs/dbraw/zinc/39/47/87/221394787.db2.gz PCLAPBBDRZLSPW-YJBOKZPZSA-N 0 0 396.491 2.604 40 0 GFABRN CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000019020335 221395094 /nfs/dbraw/zinc/39/50/94/221395094.db2.gz QVGWDSBLNPAZPT-OXJNMPFZSA-N 0 0 381.432 2.540 40 0 GFABRN COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)Cn2nc(C)ccc2=O)cc1 ZINC000019131128 221397390 /nfs/dbraw/zinc/39/73/90/221397390.db2.gz ROEPNTZFIYXENM-UDKICSLYSA-N 0 0 381.476 2.649 40 0 GFABRN O=C(C/C=C/c1ccccc1)N[C@@H]1CCCN(c2ncc3c(n2)CCOC3)C1 ZINC000019368500 221411753 /nfs/dbraw/zinc/41/17/53/221411753.db2.gz BCTYWPDGDTVMGD-RRGNZLCHSA-N 0 0 378.476 2.738 40 0 GFABRN CCn1cc(S(=O)(=O)N2CCC[C@H]2c2nnc(-c3cccs3)o2)c(C)n1 ZINC000019524648 221421126 /nfs/dbraw/zinc/42/11/26/221421126.db2.gz BLWUMSOERLRJJV-LBPRGKRZSA-N 0 0 393.494 2.849 40 0 GFABRN Cc1cc(N)n(-c2ccc(C(=O)N(Cc3ccccn3)C[C@H]3CCCO3)cc2)n1 ZINC000019660740 221438071 /nfs/dbraw/zinc/43/80/71/221438071.db2.gz VDTPDYIDNFOSPM-HXUWFJFHSA-N 0 0 391.475 2.979 40 0 GFABRN COc1nc(C)c(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c(OC)n1 ZINC000019579430 221431133 /nfs/dbraw/zinc/43/11/33/221431133.db2.gz XGMIUGULGKMFMW-UHFFFAOYSA-N 0 0 395.463 2.627 40 0 GFABRN COc1ccc(CC(=O)NCc2cc(N(C)C)nc(-c3cccnc3)n2)cc1F ZINC000019584511 221432788 /nfs/dbraw/zinc/43/27/88/221432788.db2.gz CPZAGTHEWICETF-UHFFFAOYSA-N 0 0 395.438 2.611 40 0 GFABRN Cc1c([C@@H](C)NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)cnn1C ZINC000019748330 221451162 /nfs/dbraw/zinc/45/11/62/221451162.db2.gz QPSOXOJACRVSMC-MRXNPFEDSA-N 0 0 382.508 2.777 40 0 GFABRN CCC(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2OC)CC1 ZINC000019756562 221452178 /nfs/dbraw/zinc/45/21/78/221452178.db2.gz AZTJKUHCOCMRDK-UHFFFAOYSA-N 0 0 398.507 2.550 40 0 GFABRN C[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(Cl)cc1 ZINC000020012819 221466570 /nfs/dbraw/zinc/46/65/70/221466570.db2.gz AYRBIWSJTCRHSS-AWEZNQCLSA-N 0 0 380.897 2.979 40 0 GFABRN COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCSCC2)cc1 ZINC000020098478 221471429 /nfs/dbraw/zinc/47/14/29/221471429.db2.gz BYEJNSKTZJXOCU-QGZVFWFLSA-N 0 0 387.534 2.930 40 0 GFABRN CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccccc1 ZINC000020110939 221473577 /nfs/dbraw/zinc/47/35/77/221473577.db2.gz HRRPNBYQBLXPBK-GOSISDBHSA-N 0 0 393.484 2.706 40 0 GFABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C)CC2)C1 ZINC000409391800 533404203 /nfs/dbraw/zinc/40/42/03/533404203.db2.gz OSSCXHWWLPEPRE-KRWDZBQOSA-N 0 0 394.537 2.663 40 0 GFABRN COc1ccc(CNC(=O)C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000042645863 533575704 /nfs/dbraw/zinc/57/57/04/533575704.db2.gz VOANKCZAFRZLNF-UHFFFAOYSA-N 0 0 381.201 2.852 40 0 GFABRN COc1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)c1 ZINC000408610684 533620156 /nfs/dbraw/zinc/62/01/56/533620156.db2.gz VGZIGLXTLCWCCX-AWEZNQCLSA-N 0 0 392.477 2.788 40 0 GFABRN O=C(CN1CCC(c2ccncc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000072346589 136168818 /nfs/dbraw/zinc/16/88/18/136168818.db2.gz OJRZYZFGQJNQPU-UHFFFAOYSA-N 0 0 380.492 2.736 40 0 GFABRN O=C(N[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21)[C@H]1CCCO1 ZINC000096079081 136183445 /nfs/dbraw/zinc/18/34/45/136183445.db2.gz DFQIYOSHIDQISC-RTBURBONSA-N 0 0 378.476 2.755 40 0 GFABRN C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2c3c(nc4ncnn42)CCC3)CC1 ZINC000012472132 136200377 /nfs/dbraw/zinc/20/03/77/136200377.db2.gz HCGXLWVSOFVHNR-YOEHRIQHSA-N 0 0 382.512 2.524 40 0 GFABRN O=C(NCCSCc1ccco1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000222581194 136204775 /nfs/dbraw/zinc/20/47/75/136204775.db2.gz PGGFRGMCKMQUDW-UHFFFAOYSA-N 0 0 394.518 2.873 40 0 GFABRN CCCN1c2ccc(C(=O)NCCCOC(C)C)cc2S(=O)(=O)N=C1C ZINC000223113887 136205706 /nfs/dbraw/zinc/20/57/06/136205706.db2.gz ACHCJPFLPHIEME-UHFFFAOYSA-N 0 0 381.498 2.569 40 0 GFABRN Cc1ccc(C(=O)NCc2ccccc2F)cc1N1CCCCS1(=O)=O ZINC000224514854 136207088 /nfs/dbraw/zinc/20/70/88/136207088.db2.gz SFIFSUQKVLEOJL-UHFFFAOYSA-N 0 0 376.453 2.994 40 0 GFABRN COc1ccc(CCCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000022327264 221557344 /nfs/dbraw/zinc/55/73/44/221557344.db2.gz VPWDSMWFCQYYBK-UHFFFAOYSA-N 0 0 390.505 2.519 40 0 GFABRN Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000022327463 221557772 /nfs/dbraw/zinc/55/77/72/221557772.db2.gz PNUMPOCHPJCUNE-KRWDZBQOSA-N 0 0 390.505 2.653 40 0 GFABRN CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC ZINC000022537853 221563762 /nfs/dbraw/zinc/56/37/62/221563762.db2.gz FDVZRVIOZPPFLM-GFCCVEGCSA-N 0 0 380.441 2.624 40 0 GFABRN CCOc1ccc(N([C@@H](C)C(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000030852950 221704490 /nfs/dbraw/zinc/70/44/90/221704490.db2.gz ZOGFRGBKXCBAJL-AWEZNQCLSA-N 0 0 394.468 2.695 40 0 GFABRN O=C(CN(C(=O)c1csnn1)c1cccc(F)c1)NCCc1ccccc1 ZINC000035289219 221814150 /nfs/dbraw/zinc/81/41/50/221814150.db2.gz VMDONMALKCLREZ-UHFFFAOYSA-N 0 0 384.436 2.683 40 0 GFABRN O=C(NC1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccc(F)c1 ZINC000035289015 221814240 /nfs/dbraw/zinc/81/42/40/221814240.db2.gz HYTHHKXYOHUZQS-UHFFFAOYSA-N 0 0 380.416 2.548 40 0 GFABRN COCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2cccnc21 ZINC000035314448 221817194 /nfs/dbraw/zinc/81/71/94/221817194.db2.gz NDAIKOSUXGSGSC-UHFFFAOYSA-N 0 0 385.493 2.875 40 0 GFABRN CCOC(=O)CN1C(=O)SC(=CNc2ccc(Br)cc2)C1=O ZINC000036636247 221863064 /nfs/dbraw/zinc/86/30/64/221863064.db2.gz AUWSBQDVXCZBSO-XFFZJAGNSA-N 0 0 385.239 2.961 40 0 GFABRN COCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000038772874 221884623 /nfs/dbraw/zinc/88/46/23/221884623.db2.gz MXSQTCPNLLIMGY-UHFFFAOYSA-N 0 0 382.869 2.907 40 0 GFABRN CCN(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986909 221895182 /nfs/dbraw/zinc/89/51/82/221895182.db2.gz IDRWDSVOMAZMTA-UHFFFAOYSA-N 0 0 392.521 2.782 40 0 GFABRN CC(=O)Nc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000049889932 222002899 /nfs/dbraw/zinc/00/28/99/222002899.db2.gz JRHWEEQMIQZOOS-UHFFFAOYSA-N 0 0 389.477 2.521 40 0 GFABRN C[C@@H]1[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@@H]1N1CCOCC1)OCO3 ZINC000061887436 222062313 /nfs/dbraw/zinc/06/23/13/222062313.db2.gz OFUMSTVCETVCLF-DZKUTHLPSA-N 0 0 397.427 2.963 40 0 GFABRN CC(=O)Nc1ccc(CNC2(Cc3cc(-c4ccccn4)on3)COC2)cc1 ZINC000067898281 222166666 /nfs/dbraw/zinc/16/66/66/222166666.db2.gz NJXGVTJTRFGXOE-UHFFFAOYSA-N 0 0 378.432 2.796 40 0 biogenic,in-vitro GFABRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000068935303 222173401 /nfs/dbraw/zinc/17/34/01/222173401.db2.gz WKTDDJBYQUKGBK-PBHICJAKSA-N 0 0 376.453 2.732 40 0 GFABRN Cc1cccc(C(=O)N2[C@@H](C(=O)[O-])COC23CC[NH+](Cc2ccccc2)CC3)c1 ZINC000071980669 222203542 /nfs/dbraw/zinc/20/35/42/222203542.db2.gz ABDWEUJOSVEKBO-HXUWFJFHSA-N 0 0 394.471 2.913 40 0 GFABRN CN1CC[C@]2(C[C@H](NC(=O)CCCn3ccnc3)c3ccccc3O2)CCC1=O ZINC000072327815 222228664 /nfs/dbraw/zinc/22/86/64/222228664.db2.gz FQIKMYFASMJHHR-AVRDEDQJSA-N 0 0 396.491 2.684 40 0 GFABRN COc1cc2c(cc1OC)[C@@H](CCc1c(C)noc1C)N(S(C)(=O)=O)CC2 ZINC000072342722 222231951 /nfs/dbraw/zinc/23/19/51/222231951.db2.gz HEJJVOIRWFSRFL-QGZVFWFLSA-N 0 0 394.493 2.800 40 0 GFABRN Cc1nc([C@@H]2CCCCN2C(=O)C2CCCC2)ncc1C(=O)N1CCOCC1 ZINC000072345531 222233637 /nfs/dbraw/zinc/23/36/37/222233637.db2.gz MOMFHBQNFZRHCA-SFHVURJKSA-N 0 0 386.496 2.501 40 0 GFABRN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)C2CCCC2)c1 ZINC000072354828 222237698 /nfs/dbraw/zinc/23/76/98/222237698.db2.gz YKIVBFFZXNNOCJ-KRWDZBQOSA-N 0 0 379.464 2.678 40 0 GFABRN Cc1cc(C)nc(Nc2cnc([C@@H]3CCCN(S(=O)(=O)C(C)C)C3)cn2)n1 ZINC000072363645 222241283 /nfs/dbraw/zinc/24/12/83/222241283.db2.gz GEFIOEZLVSLPDA-OAHLLOKOSA-N 0 0 390.513 2.545 40 0 GFABRN CC(=O)NCC(=O)N1CCC[C@H](c2nc(C)cc(Oc3ccccc3C)n2)C1 ZINC000072362736 222241375 /nfs/dbraw/zinc/24/13/75/222241375.db2.gz DYNNBEKJQAOJJH-KRWDZBQOSA-N 0 0 382.464 2.728 40 0 GFABRN O=C(c1cnn2cccnc12)N1CCC[C@@H]([C@H]2CC(=O)c3ccccc3O2)C1 ZINC000072396469 222250595 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biogenic,in-vitro GFABRN COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000113957245 222520905 /nfs/dbraw/zinc/52/09/05/222520905.db2.gz RERDIPOHCNGXQR-ZIAGYGMSSA-N 0 0 394.468 2.866 40 0 GFABRN COc1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000014153207 534039950 /nfs/dbraw/zinc/03/99/50/534039950.db2.gz GSFHSKGNYSXFMF-UHFFFAOYSA-N 0 0 396.230 2.695 40 0 GFABRN COc1ccccc1CNC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000408706217 534084359 /nfs/dbraw/zinc/08/43/59/534084359.db2.gz XRBDCIOPUNPYMS-UHFFFAOYSA-N 0 0 394.468 2.697 40 0 GFABRN Cc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)c(C)c1 ZINC000408978967 534162199 /nfs/dbraw/zinc/16/21/99/534162199.db2.gz BFBVUPCSYBKIMV-OAQYLSRUSA-N 0 0 399.450 2.978 40 0 GFABRN O=C(NCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000408708945 534474812 /nfs/dbraw/zinc/47/48/12/534474812.db2.gz NLVBEGGWDYAANI-UHFFFAOYSA-N 0 0 379.460 2.656 40 0 GFABRN O=C(NCCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000408708219 534475770 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COCc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 ZINC000029144319 551125994 /nfs/dbraw/zinc/12/59/94/551125994.db2.gz ZJQOHQYAFCMJBN-UHFFFAOYSA-N 0 0 382.869 2.891 40 0 GFABRN CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1 ZINC000033930306 551133890 /nfs/dbraw/zinc/13/38/90/551133890.db2.gz YZLDNSLEWMORLE-UHFFFAOYSA-N 0 0 381.281 2.765 40 0 GFABRN CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1 ZINC000139452990 551392147 /nfs/dbraw/zinc/39/21/47/551392147.db2.gz HLMPLCZOMVUYDA-UHFFFAOYSA-N 0 0 381.841 2.922 40 0 GFABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000195419798 553047888 /nfs/dbraw/zinc/04/78/88/553047888.db2.gz IOSZAQWIOULVGY-AWEZNQCLSA-N 0 0 384.567 2.970 40 0 GFABRN CC(C)Sc1nnc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)s1 ZINC000223197158 553056407 /nfs/dbraw/zinc/05/64/07/553056407.db2.gz FWDHPWQYPKSHAA-UHFFFAOYSA-N 0 0 386.524 2.687 40 0 GFABRN COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(OC)cc2)ccc1Cl ZINC000223861807 553056704 /nfs/dbraw/zinc/05/67/04/553056704.db2.gz GOYQPIBOSVQWCV-UHFFFAOYSA-N 0 0 383.853 2.956 40 0 GFABRN C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000223857345 553056857 /nfs/dbraw/zinc/05/68/57/553056857.db2.gz OTEZGVXHFBWHLC-GFCCVEGCSA-N 0 0 387.910 2.924 40 0 GFABRN C[C@@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccc(F)cc1 ZINC000223969142 553057039 /nfs/dbraw/zinc/05/70/39/553057039.db2.gz ORUFKVNWPRCKOI-SECBINFHSA-N 0 0 386.474 2.701 40 0 GFABRN COC(=O)CSc1nnc(NC(=O)[C@H](C)Oc2cccc(C)c2C)s1 ZINC000225317506 553058742 /nfs/dbraw/zinc/05/87/42/553058742.db2.gz USNSVGBOIKASFQ-NSHDSACASA-N 0 0 381.479 2.826 40 0 GFABRN Cc1ccc([C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1C ZINC000225440685 553058893 /nfs/dbraw/zinc/05/88/93/553058893.db2.gz GKPNXRWHALWNMI-GFCCVEGCSA-N 0 0 382.511 2.789 40 0 GFABRN COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3ccncc3)n2)ccn1 ZINC000035424811 560080410 /nfs/dbraw/zinc/08/04/10/560080410.db2.gz NIMXIIKBMDYCOB-KRWDZBQOSA-N 0 0 381.436 2.889 40 0 biogenic,in-vitro GFABRN 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Cc1cc(C)n(CCc2nnc(NC(=O)c3ccnc(N4CCCC4)c3)s2)n1 ZINC000036752402 205021074 /nfs/dbraw/zinc/02/10/74/205021074.db2.gz RVTYNLIFXSKBJG-UHFFFAOYSA-N 0 0 397.508 2.842 40 0 GFABRN COc1ccccc1C(=O)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000077266212 205035766 /nfs/dbraw/zinc/03/57/66/205035766.db2.gz JPHXYXVPEPNUJV-QGZVFWFLSA-N 0 0 383.423 2.597 40 0 biogenic,in-vitro GFABRN COc1cccc(O[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2OC)c1 ZINC000038772104 205038444 /nfs/dbraw/zinc/03/84/44/205038444.db2.gz ZWUCYTSUTIRUCV-CYBMUJFWSA-N 0 0 375.421 2.805 40 0 GFABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000039986096 205045365 /nfs/dbraw/zinc/04/53/65/205045365.db2.gz RUMOURLBELBBAS-MRXNPFEDSA-N 0 0 390.505 2.973 40 0 GFABRN Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N2 ZINC000040386777 205062938 /nfs/dbraw/zinc/06/29/38/205062938.db2.gz SAGLWLSLQUIRJX-MRVPVSSYSA-N 0 0 387.749 2.856 40 0 GFABRN COCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(COC)nn32)c1=O ZINC000040396084 205063475 /nfs/dbraw/zinc/06/34/75/205063475.db2.gz WJPBJTQFCLGTFE-UHFFFAOYSA-N 0 0 399.838 2.552 40 0 GFABRN O=c1c2c(ccn1C[C@@H]1CCCO1)nc1ncnn1c2-c1ccccc1Cl ZINC000040398067 205063519 /nfs/dbraw/zinc/06/35/19/205063519.db2.gz PIINXIXCBLIJJQ-LBPRGKRZSA-N 0 0 381.823 2.939 40 0 GFABRN O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 ZINC000040399599 205064210 /nfs/dbraw/zinc/06/42/10/205064210.db2.gz DVCVDXHOFCJIRG-CQSZACIVSA-N 0 0 393.378 2.717 40 0 GFABRN O=c1c2c(ccn1C[C@H]1CCCO1)nc1ncnn1c2-c1ccccc1Cl ZINC000040398069 205064346 /nfs/dbraw/zinc/06/43/46/205064346.db2.gz PIINXIXCBLIJJQ-GFCCVEGCSA-N 0 0 381.823 2.939 40 0 GFABRN COc1ccccc1-c1c2c(ccn(Cc3cccnc3)c2=O)nc2nc(C)nn21 ZINC000040398457 205064526 /nfs/dbraw/zinc/06/45/26/205064526.db2.gz WSARQYGVXBZMSN-UHFFFAOYSA-N 0 0 398.426 2.867 40 0 GFABRN CC(C)Oc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000044904602 205089374 /nfs/dbraw/zinc/08/93/74/205089374.db2.gz BTNAWADJEUZHHX-MRXNPFEDSA-N 0 0 390.505 2.945 40 0 GFABRN CCOC(=O)N1CCN(C(=O)CCc2nc(-c3ccccc3Cl)no2)CC1 ZINC000041184704 205078424 /nfs/dbraw/zinc/07/84/24/205078424.db2.gz SFPQMTNDVSXUIV-UHFFFAOYSA-N 0 0 392.843 2.623 40 0 GFABRN COc1cc(C)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(C)c1 ZINC000047461993 205109622 /nfs/dbraw/zinc/10/96/22/205109622.db2.gz YCFRMXBEIIQRLU-UHFFFAOYSA-N 0 0 379.478 2.850 40 0 GFABRN Cc1cc(Br)cc(C)c1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000045998836 205101396 /nfs/dbraw/zinc/10/13/96/205101396.db2.gz JHFPKUAWUPPVGN-UHFFFAOYSA-N 0 0 389.315 2.676 40 0 GFABRN CN1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC000054363502 205139433 /nfs/dbraw/zinc/13/94/33/205139433.db2.gz VZNUNHOGYGXYSZ-UHFFFAOYSA-N 0 0 388.114 2.692 40 0 GFABRN CCN1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2Br)CC1 ZINC000054363121 205140464 /nfs/dbraw/zinc/14/04/64/205140464.db2.gz RQZVHCISPWLYJI-UHFFFAOYSA-N 0 0 381.723 2.737 40 0 GFABRN COc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1NC(C)=O ZINC000057013822 205153279 /nfs/dbraw/zinc/15/32/79/205153279.db2.gz UCFYVXAQGLZROC-UHFFFAOYSA-N 0 0 392.477 2.628 40 0 GFABRN C[C@@H](CC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1ccnc1 ZINC000072327795 205326747 /nfs/dbraw/zinc/32/67/47/205326747.db2.gz KXGGTRQPRFAFOQ-CECAUBDESA-N 0 0 396.491 2.855 40 0 GFABRN COc1ccccc1CN1Cc2cc3cc4c(cc3nc2OCC1=O)OCO4 ZINC000072341572 205327015 /nfs/dbraw/zinc/32/70/15/205327015.db2.gz RFAOOGZKKNWITO-UHFFFAOYSA-N 0 0 378.384 2.893 40 0 GFABRN CCSc1ncc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000072339836 205327398 /nfs/dbraw/zinc/32/73/98/205327398.db2.gz UCBOMXLLXMNXNV-UHFFFAOYSA-N 0 0 380.477 2.705 40 0 GFABRN Cc1nc(C)n(CCC(=O)N2CC[C@@H](c3c4ccccc4sc3C(N)=O)C2)n1 ZINC000072352481 205331919 /nfs/dbraw/zinc/33/19/19/205331919.db2.gz JDUOOHXOPAEQAN-CQSZACIVSA-N 0 0 397.504 2.615 40 0 GFABRN COc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)n2)c1 ZINC000072359771 205334723 /nfs/dbraw/zinc/33/47/23/205334723.db2.gz UTPFDVMCLGIBDR-INIZCTEOSA-N 0 0 377.448 2.906 40 0 GFABRN O=C(CN1CCCC1=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000072362674 205335712 /nfs/dbraw/zinc/33/57/12/205335712.db2.gz DJNXYOPNZNRHMY-INIZCTEOSA-N 0 0 380.448 2.597 40 0 GFABRN O=C(c1cnccn1)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1 ZINC000072378202 205338937 /nfs/dbraw/zinc/33/89/37/205338937.db2.gz CPKFVRSVUVHIAT-QGZVFWFLSA-N 0 0 389.463 2.890 40 0 GFABRN CCOc1ccc2cc(CNc3ccc(-n4cnnn4)c(OC)c3)c(=O)[nH]c2c1 ZINC000072389361 205342347 /nfs/dbraw/zinc/34/23/47/205342347.db2.gz ZUXDWMSOKQIMTB-UHFFFAOYSA-N 0 0 392.419 2.523 40 0 GFABRN COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1OC ZINC000078403797 205373677 /nfs/dbraw/zinc/37/36/77/205373677.db2.gz ZLXGUVXJROEPLE-CYBMUJFWSA-N 0 0 376.478 2.581 40 0 GFABRN C[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H]([NH3+])[C@H](O)CC(=O)[O-] ZINC000094568709 205436314 /nfs/dbraw/zinc/43/63/14/205436314.db2.gz NMCBHZITLTYUHZ-XMDBHEJHSA-N 0 0 397.471 2.921 40 0 GFABRN O=C(Nc1cccnc1)[C@@H]1CN(C(=O)c2ccc(F)cc2)CC12CCOCC2 ZINC000096240999 205547887 /nfs/dbraw/zinc/54/78/87/205547887.db2.gz KPHNNYVJBABWOL-SFHVURJKSA-N 0 0 383.423 2.728 40 0 GFABRN CN(C)C(=O)CNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 ZINC000096266468 205552416 /nfs/dbraw/zinc/55/24/16/205552416.db2.gz MNVVEJVTLIWQRI-UHFFFAOYSA-N 0 0 390.399 2.968 40 0 GFABRN COc1ccc(OCC(=O)N[C@@H]2c3ccccc3[C@@H]3CN(C(C)=O)C[C@@H]32)cc1 ZINC000096268326 205553581 /nfs/dbraw/zinc/55/35/81/205553581.db2.gz LKSVLIYGATZXCA-JAXLGGSGSA-N 0 0 380.444 2.507 40 0 GFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000113946776 205680199 /nfs/dbraw/zinc/68/01/99/205680199.db2.gz VHVLUSUMVLNQPN-IBGZPJMESA-N 0 0 387.505 2.737 40 0 GFABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000116222780 205682084 /nfs/dbraw/zinc/68/20/84/205682084.db2.gz ZFRSQSKEBDLCBG-GFCCVEGCSA-N 0 0 385.532 2.852 40 0 GFABRN CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C(=O)c4ccccn4)C3)nc2c1 ZINC000049168783 205668693 /nfs/dbraw/zinc/66/86/93/205668693.db2.gz QQXHDVFYLCEVBU-ZDUSSCGKSA-N 0 0 385.445 2.646 40 0 biogenic,in-vitro GFABRN COc1cc(OC)cc(-n2nnnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000000932290 205704845 /nfs/dbraw/zinc/70/48/45/205704845.db2.gz UWFCIFIOEDDEKQ-STQMWFEESA-N 0 0 391.497 2.561 40 0 GFABRN COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000004889893 205754626 /nfs/dbraw/zinc/75/46/26/205754626.db2.gz MWEQCFWBMURFCJ-NVXWUHKLSA-N 0 0 375.446 2.950 40 0 GFABRN O=C(Cn1c2ccsc2c(=O)n(CCc2ccccc2)c1=O)NC1CCCC1 ZINC000006679394 205781590 /nfs/dbraw/zinc/78/15/90/205781590.db2.gz RZIDHEPXKFMOLU-UHFFFAOYSA-N 0 0 397.500 2.526 40 0 GFABRN Cc1nn(C)c(C)c1CNC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000101726390 205809748 /nfs/dbraw/zinc/80/97/48/205809748.db2.gz WIBIYJFLYMYZOR-IYBDPMFKSA-N 0 0 378.517 2.984 40 0 GFABRN COCCNc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223414805 206000027 /nfs/dbraw/zinc/00/00/27/206000027.db2.gz UBSGJLCTMUCTQS-UHFFFAOYSA-N 0 0 398.868 2.986 40 0 GFABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000222910948 205989019 /nfs/dbraw/zinc/98/90/19/205989019.db2.gz LWUWNEPLBUCUSA-KRWDZBQOSA-N 0 0 398.503 2.842 40 0 GFABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000223643742 206004412 /nfs/dbraw/zinc/00/44/12/206004412.db2.gz KRTSZWBXWDPOJW-UWCCDQBKSA-N 0 0 386.473 2.823 40 0 GFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1OC ZINC000223763794 206006627 /nfs/dbraw/zinc/00/66/27/206006627.db2.gz OKMFCMRXCHZSGP-UHFFFAOYSA-N 0 0 389.433 2.575 40 0 GFABRN C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000223857404 206007457 /nfs/dbraw/zinc/00/74/57/206007457.db2.gz OTEZGVXHFBWHLC-LBPRGKRZSA-N 0 0 387.910 2.924 40 0 GFABRN CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2)ccc1OC ZINC000223878602 206007925 /nfs/dbraw/zinc/00/79/25/206007925.db2.gz FKGAEWAAIARHFT-UHFFFAOYSA-N 0 0 382.869 2.577 40 0 GFABRN COCCNC(=S)Nc1ncc(Br)c(C)c1Br ZINC000223884973 206009412 /nfs/dbraw/zinc/00/94/12/206009412.db2.gz WTCZOFFNNHMONB-UHFFFAOYSA-N 0 0 383.109 2.848 40 0 GFABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223989379 206011186 /nfs/dbraw/zinc/01/11/86/206011186.db2.gz LGPGFZPUGTZGJJ-OAHLLOKOSA-N 0 0 398.525 2.556 40 0 GFABRN Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1C ZINC000224087809 206012444 /nfs/dbraw/zinc/01/24/44/206012444.db2.gz RINDECGBTZINLD-UHFFFAOYSA-N 0 0 376.478 2.792 40 0 GFABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1 ZINC000224316851 206017413 /nfs/dbraw/zinc/01/74/13/206017413.db2.gz YLHLTILFVCFRSQ-UHFFFAOYSA-N 0 0 380.510 2.546 40 0 GFABRN CCCCOCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC ZINC000224439788 206020350 /nfs/dbraw/zinc/02/03/50/206020350.db2.gz IAITTYBLPHUAPE-UHFFFAOYSA-N 0 0 392.477 2.912 40 0 GFABRN CCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224583803 206023932 /nfs/dbraw/zinc/02/39/32/206023932.db2.gz QAEAIDIBUJDHNI-UHFFFAOYSA-N 0 0 393.461 2.852 40 0 GFABRN CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1 ZINC000224561362 206024195 /nfs/dbraw/zinc/02/41/95/206024195.db2.gz GAFODYWTZGATNL-UHFFFAOYSA-N 0 0 389.521 2.680 40 0 GFABRN Cc1ccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1 ZINC000224628185 206025398 /nfs/dbraw/zinc/02/53/98/206025398.db2.gz NBZGEHOCACUKBI-UHFFFAOYSA-N 0 0 390.505 2.736 40 0 GFABRN CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccccc1 ZINC000224670712 206025427 /nfs/dbraw/zinc/02/54/27/206025427.db2.gz AMYAZYWAYQYFOB-UHFFFAOYSA-N 0 0 391.445 2.540 40 0 GFABRN CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224801639 206029200 /nfs/dbraw/zinc/02/92/00/206029200.db2.gz WMPDWJZHGAGDSD-UHFFFAOYSA-N 0 0 379.434 2.706 40 0 GFABRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)c1 ZINC000225034548 206034272 /nfs/dbraw/zinc/03/42/72/206034272.db2.gz DRTSPKITVVYQEZ-UHFFFAOYSA-N 0 0 390.505 2.658 40 0 GFABRN CCC(=O)N1CCc2cc(S(=O)(=O)NCCSCc3ccco3)ccc21 ZINC000225124552 206037093 /nfs/dbraw/zinc/03/70/93/206037093.db2.gz YKFRUFLRXSVJDY-UHFFFAOYSA-N 0 0 394.518 2.790 40 0 GFABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000225125890 206037308 /nfs/dbraw/zinc/03/73/08/206037308.db2.gz FCDVXFQELLQQQA-MRXNPFEDSA-N 0 0 390.505 2.955 40 0 GFABRN COc1ccccc1OCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 ZINC000225142284 206038412 /nfs/dbraw/zinc/03/84/12/206038412.db2.gz WTPSAMZQALWVGH-UHFFFAOYSA-N 0 0 391.489 2.940 40 0 GFABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC1=CCCCC1 ZINC000225131475 206039404 /nfs/dbraw/zinc/03/94/04/206039404.db2.gz USCVVUCKUHGJKG-OAHLLOKOSA-N 0 0 380.510 2.856 40 0 GFABRN O=S(=O)(Cc1ccc(Br)cc1)NC[C@H]1COc2ccccc2O1 ZINC000225258342 206042126 /nfs/dbraw/zinc/04/21/26/206042126.db2.gz HQZCVCURJGQWRT-AWEZNQCLSA-N 0 0 398.278 2.709 40 0 GFABRN O=S(=O)(Cc1cccc(Br)c1)NC[C@H]1COc2ccccc2O1 ZINC000225280100 206043062 /nfs/dbraw/zinc/04/30/62/206043062.db2.gz HQUHREVOWOFOJQ-AWEZNQCLSA-N 0 0 398.278 2.709 40 0 GFABRN CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1cccs1 ZINC000225125408 206036725 /nfs/dbraw/zinc/03/67/25/206036725.db2.gz WIGQLHLQRLYFBS-UHFFFAOYSA-N 0 0 397.474 2.683 40 0 GFABRN Cc1ccc(OCCNC(=S)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000225562263 206057046 /nfs/dbraw/zinc/05/70/46/206057046.db2.gz VHSMMERXMQQRLD-UHFFFAOYSA-N 0 0 393.534 2.756 40 0 GFABRN CCn1c2ccc(S(=O)(=O)N[C@@H](C)COc3ccccc3)cc2sc1=O ZINC000225699119 206068315 /nfs/dbraw/zinc/06/83/15/206068315.db2.gz WICLJPWGGQQTOM-ZDUSSCGKSA-N 0 0 392.502 2.829 40 0 GFABRN C[C@@H](COc1ccccc1)NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000225782810 206075618 /nfs/dbraw/zinc/07/56/18/206075618.db2.gz ZMGYDKZHFHSHJJ-AWEZNQCLSA-N 0 0 393.534 2.836 40 0 GFABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(C)cc2)cc1 ZINC000225781146 206075717 /nfs/dbraw/zinc/07/57/17/206075717.db2.gz FRCNQXUJUPVPLM-UHFFFAOYSA-N 0 0 392.546 2.996 40 0 GFABRN COC(=O)CSc1nnc(NC(=O)COc2ccccc2C(C)C)s1 ZINC000225798802 206077146 /nfs/dbraw/zinc/07/71/46/206077146.db2.gz SFABKEKPFXYTPF-UHFFFAOYSA-N 0 0 381.479 2.944 40 0 GFABRN O=C1CC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)Oc2cc(O)ccc21 ZINC000225819764 206079012 /nfs/dbraw/zinc/07/90/12/206079012.db2.gz FSUNOHLKFHCGGY-UHFFFAOYSA-N 0 0 387.457 2.722 40 0 GFABRN COc1cc(C)c(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000225958370 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COC[C@]1(N)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218220760 553053391 /nfs/dbraw/zinc/05/33/91/553053391.db2.gz ZKJMIFCSCOFZLW-ULQDDVLXSA-N 0 0 396.306 2.733 40 0 GFABRN O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 ZINC000219428592 553054543 /nfs/dbraw/zinc/05/45/43/553054543.db2.gz ZMPJHSZKXOFHHA-UHFFFAOYSA-N 0 0 378.837 2.903 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)C)CC2)cc1Cl ZINC000242420428 553088039 /nfs/dbraw/zinc/08/80/39/553088039.db2.gz BIXRODMQVCPIFD-UHFFFAOYSA-N 0 0 388.917 2.522 40 0 GFABRN Cc1cc(C)cc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000244096047 553088602 /nfs/dbraw/zinc/08/86/02/553088602.db2.gz UGLXXMGTUZFAAI-UHFFFAOYSA-N 0 0 397.294 2.983 40 0 GFABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O ZINC000260892724 553153635 /nfs/dbraw/zinc/15/36/35/553153635.db2.gz FCMBYWHVKGVMMF-NEPJUHHUSA-N 0 0 376.906 2.664 40 0 GFABRN COc1ccc(-c2noc([C@H](C)O)c2C(=O)NCc2ccncc2)cc1OC ZINC000253395760 560040508 /nfs/dbraw/zinc/04/05/08/560040508.db2.gz CLLIGKHXKKHQOH-LBPRGKRZSA-N 0 0 383.404 2.737 40 0 biogenic,in-vitro GFABRN [NH3+][C@@H](Cc1ccc(Oc2ccc(O)c(I)c2)cc1)C(=O)[O-] ZINC000006092925 560205228 /nfs/dbraw/zinc/20/52/28/560205228.db2.gz RUIUIJSMLKJUDC-ZDUSSCGKSA-N 0 0 399.184 2.744 40 0 in-vitro GFABRN OCCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccncc2)n1 ZINC000328975434 563469790 /nfs/dbraw/zinc/46/97/90/563469790.db2.gz FKFXSGGQFFXSFH-UHFFFAOYSA-N 0 0 376.247 2.837 40 0 GFABRN COC(=O)CSC1=N[C@H](c2cccc(Cl)c2Cl)C(C(N)=O)=C(C)N1 ZINC000408991237 563560971 /nfs/dbraw/zinc/56/09/71/563560971.db2.gz PXABOBJWDYZMAE-CYBMUJFWSA-N 0 0 388.276 2.659 40 0 GFABRN CCc1nc(CNC(=O)NCc2cc(Br)cnc2OC)cs1 ZINC000623585111 565519200 /nfs/dbraw/zinc/51/92/00/565519200.db2.gz DLFLYPLQOJXMAE-UHFFFAOYSA-N 0 0 385.287 2.871 40 0 GFABRN C[C@H](NC(=O)N1CCO[C@H](C(F)(F)F)[C@@H]1C)c1ncc(Br)cn1 ZINC000624111660 565543954 /nfs/dbraw/zinc/54/39/54/565543954.db2.gz APTZARMHMRXTAN-NRPADANISA-N 0 0 397.195 2.661 40 0 GFABRN COc1ccc(Nc2cc(-c3ccccc3)nc(N[C@@H](C)CO)n2)cc1OC ZINC000328982360 570210403 /nfs/dbraw/zinc/21/04/03/570210403.db2.gz GZFQUCBQYDJUCM-AWEZNQCLSA-N 0 0 380.448 2.541 40 0 GFABRN Cc1cc(C)n(CCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)n1 ZINC000019719975 570210862 /nfs/dbraw/zinc/21/08/62/570210862.db2.gz MDHQQXVGHCLQGR-UHFFFAOYSA-N 0 0 378.480 2.953 40 0 GFABRN Cc1nc2cc(Nc3cc(-c4ccccn4)nc(N[C@H](C)CO)n3)ccc2s1 ZINC000329008096 570211843 /nfs/dbraw/zinc/21/18/43/570211843.db2.gz LOYXVZQBKQFMCU-GFCCVEGCSA-N 0 0 392.488 2.837 40 0 GFABRN CCC(=O)N1CCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccc(OC)cc1 ZINC000019739977 570212174 /nfs/dbraw/zinc/21/21/74/570212174.db2.gz MXWZUXGPXCOKDI-SFHVURJKSA-N 0 0 394.475 2.956 40 0 GFABRN COc1ccc(Nc2cc(C3CC3)nc(N[C@H](C)CO)n2)cc1C(F)(F)F ZINC000329033760 570213799 /nfs/dbraw/zinc/21/37/99/570213799.db2.gz QVVJGLWTQFIGPF-SNVBAGLBSA-N 0 0 382.386 2.762 40 0 GFABRN O=C(Cc1ccc(F)cc1)N1CC(C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000019747593 570214034 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CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000020489199 570262737 /nfs/dbraw/zinc/26/27/37/570262737.db2.gz XEBNQZNIWSLYLY-ZDUSSCGKSA-N 0 0 392.477 2.956 40 0 GFABRN COc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C ZINC000022227210 570307725 /nfs/dbraw/zinc/30/77/25/570307725.db2.gz UDBUNHJZWDFCAU-UHFFFAOYSA-N 0 0 390.505 2.663 40 0 GFABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1ccccc1F)S(C)(=O)=O ZINC000022251905 570310838 /nfs/dbraw/zinc/31/08/38/570310838.db2.gz FXWCTYHXGDCOSB-UHFFFAOYSA-N 0 0 396.440 2.881 40 0 GFABRN C[C@H](NC(=O)CN(CCc1ccccc1)S(C)(=O)=O)c1ccc(F)cc1 ZINC000022536051 570321506 /nfs/dbraw/zinc/32/15/06/570321506.db2.gz ZONYRFQBKARRKI-HNNXBMFYSA-N 0 0 378.469 2.507 40 0 GFABRN CN1CCN(C(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000047216220 570326153 /nfs/dbraw/zinc/32/61/53/570326153.db2.gz TWFUKQRBQCXRRD-UHFFFAOYSA-N 0 0 391.515 2.980 40 0 GFABRN CN(C)C(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000022274341 570330204 /nfs/dbraw/zinc/33/02/04/570330204.db2.gz YCMSQKDRLHCPBC-UHFFFAOYSA-N 0 0 397.294 2.733 40 0 GFABRN COC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000113871725 570334218 /nfs/dbraw/zinc/33/42/18/570334218.db2.gz PJOBZVUPVBSAAU-UHFFFAOYSA-N 0 0 390.461 2.630 40 0 GFABRN C[C@H](C(=O)NCCSC(C)(C)C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000113968369 570338776 /nfs/dbraw/zinc/33/87/76/570338776.db2.gz RPKCMFCPCLEIKY-GFCCVEGCSA-N 0 0 376.519 2.628 40 0 GFABRN O=C(NCCCN1CCOCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000116107679 570344441 /nfs/dbraw/zinc/34/44/41/570344441.db2.gz IMRSHYPOGXZGHN-UHFFFAOYSA-N 0 0 379.504 2.701 40 0 GFABRN COc1ccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000023240201 570352066 /nfs/dbraw/zinc/35/20/66/570352066.db2.gz OAVAQKPPZWOJLK-KRWDZBQOSA-N 0 0 384.476 2.611 40 0 GFABRN COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)c1 ZINC000006326233 570357445 /nfs/dbraw/zinc/35/74/45/570357445.db2.gz YAONECSGFCZTCC-NVNXTCNLSA-N 0 0 378.450 2.512 40 0 GFABRN CC[C@H](NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C)cc1 ZINC000023434515 570362461 /nfs/dbraw/zinc/36/24/61/570362461.db2.gz SRNNLHFJIHABQR-KRWDZBQOSA-N 0 0 386.473 2.797 40 0 GFABRN CCCCN(CCO)c1nc(N(C)C)nc2c1CN(Cc1ccccc1)CC2 ZINC000057731549 570371643 /nfs/dbraw/zinc/37/16/43/570371643.db2.gz KIASMRNDLMYUSQ-UHFFFAOYSA-N 0 0 383.540 2.700 40 0 GFABRN CC(C)Oc1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000219664149 570372507 /nfs/dbraw/zinc/37/25/07/570372507.db2.gz FXWSWAMLTJBPIQ-UHFFFAOYSA-N 0 0 388.445 2.647 40 0 GFABRN COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C ZINC000119957244 570384742 /nfs/dbraw/zinc/38/47/42/570384742.db2.gz QFEJBOHKXPPXIT-UHFFFAOYSA-N 0 0 388.489 2.605 40 0 GFABRN COc1ccc(C)cc1N([C@H](C)C(=O)N1CCc2ccccc21)S(C)(=O)=O ZINC000220341905 570385218 /nfs/dbraw/zinc/38/52/18/570385218.db2.gz FTYJTHDCDCRHMG-OAHLLOKOSA-N 0 0 388.489 2.747 40 0 GFABRN CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220501433 570387339 /nfs/dbraw/zinc/38/73/39/570387339.db2.gz CXIHPLKULLJKQI-IBGZPJMESA-N 0 0 390.505 2.865 40 0 GFABRN Cn1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C[C@H]2CCCO2)cn1 ZINC000032604104 570393319 /nfs/dbraw/zinc/39/33/19/570393319.db2.gz RJICEAUBSVCFGE-MRXNPFEDSA-N 0 0 398.492 2.588 40 0 GFABRN COc1ccc(NC(=O)CN2C(=O)N/C(=C/C=C/c3ccccc3)C2=O)cc1 ZINC000016778969 570403506 /nfs/dbraw/zinc/40/35/06/570403506.db2.gz SYWQBASVJYIOCZ-HYZSBJHASA-N 0 0 377.400 2.783 40 0 GFABRN COC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 ZINC000222517967 570413294 /nfs/dbraw/zinc/41/32/94/570413294.db2.gz VCTANJISMVNQKG-UHFFFAOYSA-N 0 0 396.852 2.775 40 0 GFABRN CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)cc1 ZINC000222630393 570417656 /nfs/dbraw/zinc/41/76/56/570417656.db2.gz ABWGLBOJDBHXAY-UHFFFAOYSA-N 0 0 394.468 2.550 40 0 GFABRN C[C@@H](NS(=O)(=O)c1ccc(OCc2nnc(N)s2)cc1)c1ccccc1 ZINC000222644897 570418520 /nfs/dbraw/zinc/41/85/20/570418520.db2.gz MPWLMYYBDKTHDZ-GFCCVEGCSA-N 0 0 390.490 2.739 40 0 GFABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000222723635 570422424 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Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)c1 ZINC000223243509 570452244 /nfs/dbraw/zinc/45/22/44/570452244.db2.gz VUSYRQDLVLWKQM-UHFFFAOYSA-N 0 0 376.478 2.880 40 0 GFABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCCO ZINC000223262757 570454167 /nfs/dbraw/zinc/45/41/67/570454167.db2.gz XVTDBSPCFYXHKJ-OAQYLSRUSA-N 0 0 398.503 2.544 40 0 GFABRN CNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000006706856 570489409 /nfs/dbraw/zinc/48/94/09/570489409.db2.gz ARJFOAUKAYAWOY-UHFFFAOYSA-N 0 0 388.367 2.631 40 0 GFABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NC1CCCCCCC1)O2 ZINC000030944122 570501886 /nfs/dbraw/zinc/50/18/86/570501886.db2.gz LXYVYSKXCCRNFX-GOSISDBHSA-N 0 0 380.510 2.751 40 0 GFABRN COc1cccc2c1O[C@@]1(C)[C@@H](C(=O)N(C)C)[C@@H]2NC(=S)N1c1ccccc1 ZINC000002963108 570517631 /nfs/dbraw/zinc/51/76/31/570517631.db2.gz FUUSMPUTMAGTMS-LZJOCLMNSA-N 0 0 397.500 2.944 40 0 GFABRN COC(=O)c1cccc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000095471944 570540653 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CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c1 ZINC000010324668 570569007 /nfs/dbraw/zinc/56/90/07/570569007.db2.gz FYCQRYXZQUYSNY-LBPRGKRZSA-N 0 0 387.461 2.608 40 0 GFABRN Cc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccs1 ZINC000004861382 570640858 /nfs/dbraw/zinc/64/08/58/570640858.db2.gz VVILRINQMSGMIL-UHFFFAOYSA-N 0 0 387.505 2.734 40 0 GFABRN Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccccc2)no1 ZINC000004875610 570641873 /nfs/dbraw/zinc/64/18/73/570641873.db2.gz WRDBBMDDIXZDEE-UHFFFAOYSA-N 0 0 398.463 2.794 40 0 GFABRN CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)C1CCCCC1 ZINC000044940420 570644782 /nfs/dbraw/zinc/64/47/82/570644782.db2.gz INKKRKNSFQQLGL-MRXNPFEDSA-N 0 0 386.901 2.658 40 0 GFABRN CCCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1cc(OC)ccc1OC ZINC000004944571 570645586 /nfs/dbraw/zinc/64/55/86/570645586.db2.gz YUWSVLKHLQVSIN-ZDUSSCGKSA-N 0 0 389.477 2.774 40 0 GFABRN COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)cc1 ZINC000005482947 570663132 /nfs/dbraw/zinc/66/31/32/570663132.db2.gz CSUPDFXGKDNJTD-UHFFFAOYSA-N 0 0 382.445 2.913 40 0 GFABRN CCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[nH]2)C1 ZINC000005642767 570666075 /nfs/dbraw/zinc/66/60/75/570666075.db2.gz JEUVJELJHKDDFD-INIZCTEOSA-N 0 0 394.479 2.790 40 0 GFABRN Cc1sc(C(=O)Nc2ccc(C)c(C)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000006679770 570674068 /nfs/dbraw/zinc/67/40/68/570674068.db2.gz WIPLUHDXJVWKBX-UHFFFAOYSA-N 0 0 394.518 2.947 40 0 GFABRN Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1C ZINC000006680829 570674842 /nfs/dbraw/zinc/67/48/42/570674842.db2.gz ADNHDBHDUHOAGQ-UHFFFAOYSA-N 0 0 381.475 2.605 40 0 GFABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccccc3F)cc2c1 ZINC000008582718 570680998 /nfs/dbraw/zinc/68/09/98/570680998.db2.gz AECJFHHQSIRMIY-UHFFFAOYSA-N 0 0 384.407 2.701 40 0 GFABRN Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NC[C@H]2CCCO2)n1 ZINC000260715126 570699695 /nfs/dbraw/zinc/69/96/95/570699695.db2.gz LYHFVSGXMCWGBX-QGZVFWFLSA-N 0 0 383.521 2.813 40 0 GFABRN Cc1ccc(N([C@H](C)C(=O)NCCOc2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000260793117 570706495 /nfs/dbraw/zinc/70/64/95/570706495.db2.gz KBWDUYSLBZORIJ-QGZVFWFLSA-N 0 0 390.505 2.653 40 0 GFABRN CCOc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 ZINC000260834751 570709554 /nfs/dbraw/zinc/70/95/54/570709554.db2.gz ODQYVJVFBCVSBE-JXFKEZNVSA-N 0 0 386.473 2.628 40 0 GFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000006205274 570740859 /nfs/dbraw/zinc/74/08/59/570740859.db2.gz VXQVLVOJUZVGFI-UHFFFAOYSA-N 0 0 392.477 2.987 40 0 GFABRN CC[C@@]1(C)N=c2ccccc2=C2C(=O)N=C(SCc3ccc(Cl)cc3)NN21 ZINC000588227774 570745617 /nfs/dbraw/zinc/74/56/17/570745617.db2.gz SYEFWCBCUAZVHX-FQEVSTJZSA-N 0 0 398.919 2.844 40 0 GFABRN CCCSC1=NC(=O)C2=c3ccccc3=N[C@H]([C@H]3CC=C(C)C[C@@H]3C)N2N1 ZINC000588228416 570746016 /nfs/dbraw/zinc/74/60/16/570746016.db2.gz VDNORUTYPKPUEF-DOXZYTNZSA-N 0 0 382.533 2.593 40 0 GFABRN Cc1ccccc1OCC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2 ZINC000006861183 570752306 /nfs/dbraw/zinc/75/23/06/570752306.db2.gz OFTQYRJWWYYGQG-UHFFFAOYSA-N 0 0 389.502 2.536 40 0 GFABRN COc1ccc(OC)c(/C=c2/sc3nnc(-c4ccccc4C)n3c2=O)c1 ZINC000013547835 570757377 /nfs/dbraw/zinc/75/73/77/570757377.db2.gz DWPWBLJHDZSTRV-GZTJUZNOSA-N 0 0 379.441 2.691 40 0 GFABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000007389238 570758693 /nfs/dbraw/zinc/75/86/93/570758693.db2.gz RUCNSJJXXAGOQQ-UHFFFAOYSA-N 0 0 398.459 2.944 40 0 GFABRN CCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cc(F)ccc1OC ZINC000013581144 570760120 /nfs/dbraw/zinc/76/01/20/570760120.db2.gz VZINCJRANALSIC-UHFFFAOYSA-N 0 0 380.441 2.792 40 0 GFABRN O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(=O)Nc2nc(C(F)(F)F)nn21 ZINC000008559324 570770815 /nfs/dbraw/zinc/77/08/15/570770815.db2.gz GHWXRLYWVFZLPQ-LBPRGKRZSA-N 0 0 375.310 2.972 40 0 GFABRN CCOC(=O)c1cccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c1 ZINC000013675346 570771818 /nfs/dbraw/zinc/77/18/18/570771818.db2.gz RJJZMXCXBMZOEQ-UHFFFAOYSA-N 0 0 376.434 2.796 40 0 GFABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1 ZINC000009262337 570774880 /nfs/dbraw/zinc/77/48/80/570774880.db2.gz SXQBNRNNCLJEPM-RBUKOAKNSA-N 0 0 393.443 2.798 40 0 GFABRN CC[C@@H](C(=O)NCc1ccccc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000013711201 570777494 /nfs/dbraw/zinc/77/74/94/570777494.db2.gz WGKDRDUFDBIWNH-KRWDZBQOSA-N 0 0 376.478 2.556 40 0 GFABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000010119911 570782861 /nfs/dbraw/zinc/78/28/61/570782861.db2.gz DQSUXLFAVMEUPP-UHFFFAOYSA-N 0 0 395.400 2.842 40 0 GFABRN CCOc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000010448643 570790494 /nfs/dbraw/zinc/79/04/94/570790494.db2.gz FXPZXBUGVHLHMM-UHFFFAOYSA-N 0 0 390.505 2.785 40 0 GFABRN COc1ccc(C)cc1N(CC(=O)N1c2ccccc2C[C@@H]1C)S(C)(=O)=O ZINC000010449782 570790974 /nfs/dbraw/zinc/79/09/74/570790974.db2.gz HOVGMUJFXGCTOH-HNNXBMFYSA-N 0 0 388.489 2.747 40 0 GFABRN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc(C(=O)OC)c1 ZINC000011610178 570796232 /nfs/dbraw/zinc/79/62/32/570796232.db2.gz CKSJNRWWZQWNNG-GFCCVEGCSA-N 0 0 387.388 2.674 40 0 GFABRN CCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[nH]2)CC1 ZINC000013083283 570820109 /nfs/dbraw/zinc/82/01/09/570820109.db2.gz MNXXCGQVCFFTSQ-UHFFFAOYSA-N 0 0 394.479 2.871 40 0 GFABRN CCCCNC(=O)COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000013584639 570851275 /nfs/dbraw/zinc/85/12/75/570851275.db2.gz GHKZOSCZPOTGPZ-UHFFFAOYSA-N 0 0 376.478 2.807 40 0 GFABRN Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)cc2)CC1=O ZINC000013857247 570864911 /nfs/dbraw/zinc/86/49/11/570864911.db2.gz KKEKXWAPTMGFBJ-HNNXBMFYSA-N 0 0 392.411 2.607 40 0 GFABRN O=C(C(=O)N1CCOCC1)c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000014135992 570877419 /nfs/dbraw/zinc/87/74/19/570877419.db2.gz MZRVLNRUWJAVGZ-UHFFFAOYSA-N 0 0 396.418 2.901 40 0 GFABRN Cc1cccnc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000014164683 570879223 /nfs/dbraw/zinc/87/92/23/570879223.db2.gz IRLGUEOLMRBFSC-CQSZACIVSA-N 0 0 394.460 2.796 40 0 GFABRN CCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014359891 570883966 /nfs/dbraw/zinc/88/39/66/570883966.db2.gz FKLZPOSCAQNKIT-UHFFFAOYSA-N 0 0 384.860 2.806 40 0 GFABRN CC[C@@H](CCNS(=O)(=O)c1cn(CC)nc1C)n1ccc(C(F)(F)F)n1 ZINC000036614893 570885440 /nfs/dbraw/zinc/88/54/40/570885440.db2.gz ZPVNZHZSXORTGV-LBPRGKRZSA-N 0 0 393.435 2.746 40 0 GFABRN COC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000015245344 570886302 /nfs/dbraw/zinc/88/63/02/570886302.db2.gz DJWZGUMJBNDJOQ-UHFFFAOYSA-N 0 0 388.445 2.573 40 0 GFABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccccc1Cl ZINC000015718168 570902681 /nfs/dbraw/zinc/90/26/81/570902681.db2.gz RCBUGOAUQXQPLU-UHFFFAOYSA-N 0 0 394.880 2.558 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1Cl ZINC000032472137 570908820 /nfs/dbraw/zinc/90/88/20/570908820.db2.gz QRGCJLAZPOLOKG-UHFFFAOYSA-N 0 0 388.917 2.664 40 0 GFABRN CNC(=O)C(Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)C(C)=O ZINC000016138790 570915163 /nfs/dbraw/zinc/91/51/63/570915163.db2.gz IAGSLKAUNPLQOV-CQSZACIVSA-N 0 0 386.351 2.778 40 0 GFABRN O=C(COc1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000018107894 570922820 /nfs/dbraw/zinc/92/28/20/570922820.db2.gz JLWNASYLEKJIAH-UHFFFAOYSA-N 0 0 388.489 2.556 40 0 GFABRN C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CCN1C(=O)c1c[nH]c2ccccc12 ZINC000585096332 570922987 /nfs/dbraw/zinc/92/29/87/570922987.db2.gz IQCCSLNADAYDTQ-AWEZNQCLSA-N 0 0 391.475 2.650 40 0 GFABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NC1CCCC1 ZINC000016479104 570926103 /nfs/dbraw/zinc/92/61/03/570926103.db2.gz VUFHHFGKGIDSSR-UHFFFAOYSA-N 0 0 386.517 2.979 40 0 GFABRN Cc1cc(C)nc(N2CCC3(CC[C@@H](CNC(=O)OC(C)C)OC3)CC2)n1 ZINC000585101252 570927024 /nfs/dbraw/zinc/92/70/24/570927024.db2.gz RKCANEAPHJFMSM-KRWDZBQOSA-N 0 0 376.501 2.994 40 0 GFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000016576807 570928292 /nfs/dbraw/zinc/92/82/92/570928292.db2.gz PIMGFQXJVAHNFI-ZDUSSCGKSA-N 0 0 396.896 2.847 40 0 GFABRN CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 ZINC000016637357 570929313 /nfs/dbraw/zinc/92/93/13/570929313.db2.gz WJNUUQKKWZNHCL-GFCCVEGCSA-N 0 0 391.331 2.765 40 0 GFABRN O=C1C[C@@]2(CN1Cc1cncs1)COCCN(Cc1cc(F)ccc1F)C2 ZINC000585103920 570929588 /nfs/dbraw/zinc/92/95/88/570929588.db2.gz VYAFQTQQGCVGDB-LJQANCHMSA-N 0 0 393.459 2.672 40 0 GFABRN CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OC ZINC000016681784 570930699 /nfs/dbraw/zinc/93/06/99/570930699.db2.gz IUZYEAXHCPBXEW-OAHLLOKOSA-N 0 0 390.505 2.745 40 0 GFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1 ZINC000016691815 570931231 /nfs/dbraw/zinc/93/12/31/570931231.db2.gz MBBZDHYDENEFOO-UHFFFAOYSA-N 0 0 380.510 2.713 40 0 GFABRN CC(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@H]1CCCO1)C2 ZINC000585107250 570934582 /nfs/dbraw/zinc/93/45/82/570934582.db2.gz RVTZWASVZHGCHX-XMSQKQJNSA-N 0 0 380.492 2.955 40 0 GFABRN COCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccco1)C2 ZINC000585107547 570935470 /nfs/dbraw/zinc/93/54/70/570935470.db2.gz ZMRLFSIZDQGYKO-NRFANRHFSA-N 0 0 378.432 2.673 40 0 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biogenic,in-vitro GFABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000007872007 204253831 /nfs/dbraw/zinc/25/38/31/204253831.db2.gz QJCUEJIOAMWPIS-LBPRGKRZSA-N 0 0 384.860 2.950 40 0 GFABRN Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000007974897 204256251 /nfs/dbraw/zinc/25/62/51/204256251.db2.gz ADKQCHGZSVVOEC-UHFFFAOYSA-N 0 0 390.480 2.851 40 0 GFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1C ZINC000008336411 204272785 /nfs/dbraw/zinc/27/27/85/204272785.db2.gz VDPSXPPLZCHBFH-UHFFFAOYSA-N 0 0 382.869 2.916 40 0 GFABRN O=C1CO[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897176 204302958 /nfs/dbraw/zinc/30/29/58/204302958.db2.gz JMLWGMAKFOPVHH-MOPGFXCFSA-N 0 0 376.378 2.716 40 0 biogenic,in-vitro GFABRN CNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)C[C@H](C)C2 ZINC000010157644 204331546 /nfs/dbraw/zinc/33/15/46/204331546.db2.gz ZVEKIUZPHVOTAT-CQSZACIVSA-N 0 0 381.480 2.619 40 0 GFABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1C ZINC000010301251 204332647 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Cc1nc2cc(Nc3cc(-c4cccnc4)nc(N[C@@H](C)CO)n3)ccc2s1 ZINC000329005162 570211547 /nfs/dbraw/zinc/21/15/47/570211547.db2.gz KVORHZXTMDMICC-LBPRGKRZSA-N 0 0 392.488 2.837 40 0 GFABRN O=C(COc1ccccc1)N1CCCC[C@H]1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000019746635 570213898 /nfs/dbraw/zinc/21/38/98/570213898.db2.gz WEYDPUQTGKXEJY-FQEVSTJZSA-N 0 0 396.491 2.722 40 0 GFABRN CC(=O)N1CCC[C@H]1c1nc(CN(C)Cc2cnc(C)s2)cc(N(C)C)n1 ZINC000019760118 570216749 /nfs/dbraw/zinc/21/67/49/570216749.db2.gz KJNILPHVMLRUCQ-KRWDZBQOSA-N 0 0 388.541 2.623 40 0 GFABRN OCCCNc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000329072261 570216959 /nfs/dbraw/zinc/21/69/59/570216959.db2.gz ZWRCKDMOVZGMJG-UHFFFAOYSA-N 0 0 389.381 2.939 40 0 GFABRN O=S(=O)(Cc1ccccc1)N1CC[C@@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215769 570219632 /nfs/dbraw/zinc/21/96/32/570219632.db2.gz MNWAMSCKOVLRPH-IBGZPJMESA-N 0 0 391.562 2.961 40 0 GFABRN COc1ccc(N2C[C@]3(CCN(C(=O)COc4ccccc4)C3)CC2=O)cc1 ZINC000096238982 570222173 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O=S(=O)(c1ccc(-c2n[nH]c(=S)n2C[C@@H]2CCCO2)cc1)N1CCCC1 ZINC000013534736 570247205 /nfs/dbraw/zinc/24/72/05/570247205.db2.gz RHWDMARSDXRTNQ-AWEZNQCLSA-N 0 0 394.522 2.571 40 0 GFABRN CSc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000020245337 570249761 /nfs/dbraw/zinc/24/97/61/570249761.db2.gz LEMLUPDELJPXRL-UHFFFAOYSA-N 0 0 397.497 2.799 40 0 GFABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000020457594 570259489 /nfs/dbraw/zinc/25/94/89/570259489.db2.gz AVCPHWCINCGIEH-MRXNPFEDSA-N 0 0 390.505 2.955 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCCC1=O ZINC000020456920 570259512 /nfs/dbraw/zinc/25/95/12/570259512.db2.gz CNDDSKJQVGPIHG-UHFFFAOYSA-N 0 0 386.473 2.569 40 0 GFABRN Cc1nc(Nc2ncccc2C)cc([C@H]2CCN2C(=O)C=Cc2c[nH]cn2)n1 ZINC000585291188 570259788 /nfs/dbraw/zinc/25/97/88/570259788.db2.gz LLRNVOGFYPUJEI-FUTAKVPZSA-N 0 0 375.436 2.942 40 0 GFABRN CC[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)CC)c2ccccc2O1)c1ccccc1 ZINC000020458906 570260018 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O=C(CN1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1)Nc1nccs1 ZINC000019767291 526756199 /nfs/dbraw/zinc/75/61/99/526756199.db2.gz AEADSZSQHJQQKC-INIZCTEOSA-N 0 0 399.520 2.592 40 0 GFABRN CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000408645055 527363815 /nfs/dbraw/zinc/36/38/15/527363815.db2.gz JOIVDDGWXZNXHE-KRWDZBQOSA-N 0 0 394.427 2.732 40 0 GFABRN CCC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000408601460 528056517 /nfs/dbraw/zinc/05/65/17/528056517.db2.gz BAKMJJCPVPPEID-INIZCTEOSA-N 0 0 382.526 2.791 40 0 GFABRN CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000408605604 528057052 /nfs/dbraw/zinc/05/70/52/528057052.db2.gz NCPBEUSUAGZAAH-INIZCTEOSA-N 0 0 382.526 2.791 40 0 GFABRN CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000113937837 528084911 /nfs/dbraw/zinc/08/49/11/528084911.db2.gz GCVJTUKHPZXEKQ-UHFFFAOYSA-N 0 0 382.869 2.680 40 0 GFABRN CCOC(=O)c1cccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1 ZINC000008097692 528249894 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CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 ZINC000409205192 529181084 /nfs/dbraw/zinc/18/10/84/529181084.db2.gz GIVLDFIYMXWFQH-ZDUSSCGKSA-N 0 0 380.441 2.920 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1I ZINC000013673458 551109376 /nfs/dbraw/zinc/10/93/76/551109376.db2.gz RZFKHMGGTUHJBH-JTQLQIEISA-N 0 0 395.262 2.720 40 0 GFABRN COc1ccc(N([C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000010364760 551104887 /nfs/dbraw/zinc/10/48/87/551104887.db2.gz XYFVWFIUCYXPRO-GFCCVEGCSA-N 0 0 388.917 2.952 40 0 GFABRN COc1ccc(N([C@H](C)C(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)cc1Cl ZINC000010541681 551105534 /nfs/dbraw/zinc/10/55/34/551105534.db2.gz CVPWGLYNQSPWKQ-CHWSQXEVSA-N 0 0 388.917 2.762 40 0 GFABRN O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(I)cc1 ZINC000017083366 551112456 /nfs/dbraw/zinc/11/24/56/551112456.db2.gz DMMDDOOIGXKYQU-MRXNPFEDSA-N 0 0 393.180 2.704 40 0 GFABRN CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000020245056 551115384 /nfs/dbraw/zinc/11/53/84/551115384.db2.gz VYJGCVAKLVYYJA-UHFFFAOYSA-N 0 0 385.848 2.731 40 0 GFABRN CCN(CC)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1Cl ZINC000028208216 551123462 /nfs/dbraw/zinc/12/34/62/551123462.db2.gz DDHJKGAMIBKFIX-UHFFFAOYSA-N 0 0 376.906 2.618 40 0 GFABRN Cc1ccc(CN(CC(=O)NCc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000223243427 553056429 /nfs/dbraw/zinc/05/64/29/553056429.db2.gz FYCYZWVRRGNYTK-UHFFFAOYSA-N 0 0 380.897 2.726 40 0 GFABRN CN(Cc1cc(CC2(NCc3cccnc3)COC2)no1)Cc1ccccc1 ZINC000067898127 560050028 /nfs/dbraw/zinc/05/00/28/560050028.db2.gz BYRKSFRYFNGICA-UHFFFAOYSA-N 0 0 378.476 2.803 40 0 biogenic,in-vitro GFABRN CC(C)(O)c1cc(CC2(NCc3ccc(OC(F)(F)F)cc3)COC2)no1 ZINC000067897899 560050040 /nfs/dbraw/zinc/05/00/40/560050040.db2.gz QANSXHMBKKYFEK-UHFFFAOYSA-N 0 0 386.370 2.902 40 0 biogenic,in-vitro GFABRN CC(=O)O[C@@H]1[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]2(C[C@@H](c3ccoc3)OC2=O)[C@@H]1C ZINC000085341129 560076159 /nfs/dbraw/zinc/07/61/59/560076159.db2.gz UUAHYIWQODZCJD-NIFJHIEYSA-N 0 0 386.400 2.858 40 0 biogenic,in-vitro 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/nfs/dbraw/zinc/21/32/58/570213258.db2.gz WDBVFTOOJLQBSC-KRWDZBQOSA-N 0 0 394.475 2.609 40 0 GFABRN CNc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CCN(C)C2 ZINC000019752991 570215886 /nfs/dbraw/zinc/21/58/86/570215886.db2.gz UNSLMWVOPARBLM-GOSISDBHSA-N 0 0 393.535 2.845 40 0 GFABRN C[C@@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccncc2)n1 ZINC000329066083 570216062 /nfs/dbraw/zinc/21/60/62/570216062.db2.gz XWYWSCGBKYIHJL-LBPRGKRZSA-N 0 0 389.381 2.938 40 0 GFABRN CN(CCO)C(=O)c1cc([C@H]2CN(C3CCCC3)CCO2)nc2ccccc21 ZINC000019754427 570216319 /nfs/dbraw/zinc/21/63/19/570216319.db2.gz GRXJJGBGBGLWBA-OAQYLSRUSA-N 0 0 383.492 2.615 40 0 GFABRN O=C(c1cc(-c2cn(-c3ccccn3)cn2)n2ccccc12)N1CCC[C@H](O)C1 ZINC000096154937 570216543 /nfs/dbraw/zinc/21/65/43/570216543.db2.gz NVTCYDJCAYGAOC-INIZCTEOSA-N 0 0 387.443 2.784 40 0 GFABRN CC(C)CNC(=O)c1cc([C@@H]2CN(c3ncccn3)CCO2)nc2ccccc21 ZINC000019759566 570216937 /nfs/dbraw/zinc/21/69/37/570216937.db2.gz GYWYUJZULRMJLR-FQEVSTJZSA-N 0 0 391.475 2.989 40 0 GFABRN Cc1ccsc1C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC000096225309 570220046 /nfs/dbraw/zinc/22/00/46/570220046.db2.gz BXJKHAUPSHEBRT-HXUWFJFHSA-N 0 0 398.488 2.519 40 0 GFABRN C[C@H](CNC(=O)C1=NO[C@]2(CCN(Cc3nccs3)C2)C1)c1ccccc1 ZINC000096225713 570220455 /nfs/dbraw/zinc/22/04/55/570220455.db2.gz WMYCXZSQQJFMNJ-FOIQADDNSA-N 0 0 384.505 2.784 40 0 GFABRN CN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCN(C(=O)CCc1ccccc1)C2 ZINC000096227405 570220944 /nfs/dbraw/zinc/22/09/44/570220944.db2.gz XDHFDWXGNMNFHC-OFNKIYASSA-N 0 0 377.488 2.911 40 0 GFABRN Cc1nc(CN2CCOC[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2)cs1 ZINC000096229291 570221440 /nfs/dbraw/zinc/22/14/40/570221440.db2.gz LBGXFIXBIXLVSP-FQEVSTJZSA-N 0 0 386.521 2.601 40 0 GFABRN O=C1C[C@]2(CCN(S(=O)(=O)c3cccc(F)c3)C2)CN1c1cccc(F)c1 ZINC000096238691 570222175 /nfs/dbraw/zinc/22/21/75/570222175.db2.gz HNHKTOQXDNHXRK-IBGZPJMESA-N 0 0 392.427 2.783 40 0 GFABRN O=C(NCC1CC1)[C@H]1CN(C(=O)Nc2cccc(F)c2)CC12CCOCC2 ZINC000096240859 570222236 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GFABRN CCOc1cccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000020490426 570262810 /nfs/dbraw/zinc/26/28/10/570262810.db2.gz JGBNYAXHFWBHJG-UHFFFAOYSA-N 0 0 390.505 2.785 40 0 GFABRN COc1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2ccnc3ncnn32)CC1 ZINC000100159055 570268060 /nfs/dbraw/zinc/26/80/60/570268060.db2.gz JWECCBFKMMJTPN-IYBDPMFKSA-N 0 0 395.463 2.602 40 0 GFABRN CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)CC1 ZINC000020798744 570281004 /nfs/dbraw/zinc/28/10/04/570281004.db2.gz ZVNPVBRKTXHWQE-MRXNPFEDSA-N 0 0 378.856 2.555 40 0 GFABRN Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 ZINC000001985827 570297589 /nfs/dbraw/zinc/29/75/89/570297589.db2.gz CTBGFVMJAZJBPZ-SFHVURJKSA-N 0 0 380.444 2.834 40 0 GFABRN CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000022226972 570307698 /nfs/dbraw/zinc/30/76/98/570307698.db2.gz ITCMQKANHADGPC-UHFFFAOYSA-N 0 0 380.897 2.999 40 0 GFABRN COc1ccc(C(=O)CN(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1OC ZINC000575422100 570308061 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CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 ZINC000040390431 570599642 /nfs/dbraw/zinc/59/96/42/570599642.db2.gz XROVXQMFZWLXGL-GJZGRUSLSA-N 0 0 395.463 2.603 40 0 GFABRN Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)c1 ZINC000040389056 570599961 /nfs/dbraw/zinc/59/99/61/570599961.db2.gz MWJHGOWEDZWSTH-ZFWWWQNUSA-N 0 0 395.463 2.522 40 0 GFABRN CCc1nn2c(nnc3c2ccn(CCOC)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395883 570600523 /nfs/dbraw/zinc/60/05/23/570600523.db2.gz LXXFUPLSSBVERT-UHFFFAOYSA-N 0 0 383.839 2.968 40 0 GFABRN COc1ccc(-c2cc3nc([C@H](C)NC(=O)C[C@@H]4CCCCO4)nn3cn2)cc1 ZINC000012085196 570606245 /nfs/dbraw/zinc/60/62/45/570606245.db2.gz GHOLWYNZVHKUOK-YOEHRIQHSA-N 0 0 395.463 2.936 40 0 GFABRN CCc1c(C)nc(NC2CCN(C(=O)C3(c4ccccc4)CC3)CC2)[nH]c1=O ZINC000012114052 570609569 /nfs/dbraw/zinc/60/95/69/570609569.db2.gz CGTYMYVQCBJZLF-UHFFFAOYSA-N 0 0 380.492 2.775 40 0 GFABRN COc1ccc(OC)c(CC(=O)N2CCC(n3cnc4cccnc43)CC2)c1 ZINC000012114692 570610067 /nfs/dbraw/zinc/61/00/67/570610067.db2.gz YKEJDZRIKKMYKZ-UHFFFAOYSA-N 0 0 380.448 2.855 40 0 GFABRN Cc1nn(CC(=O)NC[C@@H](C)c2ccccc2)c(=O)c2cc3sccc3n21 ZINC000012115275 570610548 /nfs/dbraw/zinc/61/05/48/570610548.db2.gz WOPVAKPAUWBWQR-CYBMUJFWSA-N 0 0 380.473 2.939 40 0 GFABRN Cc1cc(-c2c[nH]nc2[C@H]2CCCN(CC(=O)NCc3cccs3)C2)on1 ZINC000012115932 570610551 /nfs/dbraw/zinc/61/05/51/570610551.db2.gz SNMQUCWCZJVZLT-AWEZNQCLSA-N 0 0 385.493 2.930 40 0 GFABRN Cc1nn(CC(=O)N(Cc2ccncc2)C2CC2)c(=O)c2cc3sccc3n21 ZINC000012115261 570610570 /nfs/dbraw/zinc/61/05/70/570610570.db2.gz WSXLZCDVIPDPGL-UHFFFAOYSA-N 0 0 393.472 2.605 40 0 GFABRN CC(C)n1c2ncccc2n(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1=O ZINC000012117492 570612115 /nfs/dbraw/zinc/61/21/15/570612115.db2.gz DDZWTVXAHQQKAE-UHFFFAOYSA-N 0 0 382.420 2.925 40 0 GFABRN O=C(Cn1nc(-c2cccs2)n(-c2ccncc2)c1=O)NC1CCCCC1 ZINC000012117420 570612204 /nfs/dbraw/zinc/61/22/04/570612204.db2.gz KEXQGJWUYCWBNT-UHFFFAOYSA-N 0 0 383.477 2.606 40 0 GFABRN Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(CC(=O)N3CCCCC3)C2)on1 ZINC000012118463 570612622 /nfs/dbraw/zinc/61/26/22/570612622.db2.gz UEGCMQNLXLEMCX-QGZVFWFLSA-N 0 0 383.496 2.940 40 0 GFABRN COc1ccc(CC(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)cc1OC ZINC000012146125 570616816 /nfs/dbraw/zinc/61/68/16/570616816.db2.gz LNIDMFQRGALKOH-UHFFFAOYSA-N 0 0 398.488 2.865 40 0 GFABRN CC(C)c1nc2ccccc2c2nn(CC(=O)NCc3ccccc3F)c(=O)n21 ZINC000012181899 570619571 /nfs/dbraw/zinc/61/95/71/570619571.db2.gz UMJABGGLQSSZIN-UHFFFAOYSA-N 0 0 393.422 2.623 40 0 GFABRN Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N[C@H]3CCCc4ccccc43)n2)o1 ZINC000012182934 570619699 /nfs/dbraw/zinc/61/96/99/570619699.db2.gz AHEAOHZAJWWLCC-KRWDZBQOSA-N 0 0 378.432 2.588 40 0 GFABRN CCCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000004163564 570621160 /nfs/dbraw/zinc/62/11/60/570621160.db2.gz AQJREORBVKFUID-UHFFFAOYSA-N 0 0 379.309 2.920 40 0 GFABRN CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1C ZINC000225930067 570634321 /nfs/dbraw/zinc/63/43/21/570634321.db2.gz VNBFIAIEDQHTNS-UHFFFAOYSA-N 0 0 376.478 2.961 40 0 GFABRN COc1ccc(CNC(=S)Nc2nc(OC)cc(N3CCCCC3)n2)cc1 ZINC000225929902 570634360 /nfs/dbraw/zinc/63/43/60/570634360.db2.gz LVFBLVCFFULDTQ-UHFFFAOYSA-N 0 0 387.509 2.971 40 0 GFABRN CC(C)Oc1ccc(CNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000044849051 570635635 /nfs/dbraw/zinc/63/56/35/570635635.db2.gz RXQMDUIHDLWKOK-UHFFFAOYSA-N 0 0 394.468 2.695 40 0 GFABRN CCOc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1 ZINC000225956218 570636400 /nfs/dbraw/zinc/63/64/00/570636400.db2.gz QCZGMTNQSIUKHA-SFHVURJKSA-N 0 0 392.477 2.713 40 0 GFABRN COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C(=O)C[C@H]3c3ccccc32)c1 ZINC000004852552 570637866 /nfs/dbraw/zinc/63/78/66/570637866.db2.gz IOSGVIBONFEHJT-GAZPGATBSA-N 0 0 377.396 2.663 40 0 GFABRN COc1cc(C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)n1 ZINC000226001750 570638080 /nfs/dbraw/zinc/63/80/80/570638080.db2.gz KZBACDADYXMGQA-UHFFFAOYSA-N 0 0 390.484 2.968 40 0 GFABRN COc1cccc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000226072029 570640749 /nfs/dbraw/zinc/64/07/49/570640749.db2.gz MRGWQQVAEFKEEX-UHFFFAOYSA-N 0 0 388.489 2.759 40 0 GFABRN CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)Oc2ccccc21 ZINC000044902327 570640875 /nfs/dbraw/zinc/64/08/75/570640875.db2.gz MSYORMAEYGGTKZ-UGSOOPFHSA-N 0 0 392.452 2.620 40 0 GFABRN COc1cccc(CC(=O)N2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)c1 ZINC000012329659 570644057 /nfs/dbraw/zinc/64/40/57/570644057.db2.gz HUSXASKLCREKFD-MRXNPFEDSA-N 0 0 397.504 2.892 40 0 GFABRN COc1ccc(C(=O)N2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)s1 ZINC000012329346 570644231 /nfs/dbraw/zinc/64/42/31/570644231.db2.gz UTXLTVZSYXJVFQ-UHFFFAOYSA-N 0 0 386.433 2.927 40 0 GFABRN CCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032892239 570644479 /nfs/dbraw/zinc/64/44/79/570644479.db2.gz SKXGXRNPSHJOKY-AWEZNQCLSA-N 0 0 383.423 2.957 40 0 GFABRN Cc1cc(-c2cnc(C)nc2CN(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)on1 ZINC000012337691 570644639 /nfs/dbraw/zinc/64/46/39/570644639.db2.gz WROSTVMSDNCYCG-OAHLLOKOSA-N 0 0 391.431 2.833 40 0 GFABRN CS(=O)(=O)Nc1ccc(C(=O)NCCSCc2ccco2)cc1Cl ZINC000044949795 570645316 /nfs/dbraw/zinc/64/53/16/570645316.db2.gz PTUNASDMEOBMQO-UHFFFAOYSA-N 0 0 388.898 2.968 40 0 GFABRN C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000004909425 570647920 /nfs/dbraw/zinc/64/79/20/570647920.db2.gz AFAIINPWCJNJJC-HNAYVOBHSA-N 0 0 375.488 2.715 40 0 GFABRN O=C(COC(=O)c1ccccn1)N=c1sccn1Cc1ccccc1Cl ZINC000005693296 570664620 /nfs/dbraw/zinc/66/46/20/570664620.db2.gz YMSKOOHDMODSDK-UZYVYHOESA-N 0 0 387.848 2.931 40 0 GFABRN O=C(Oc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCCCC2)cs1 ZINC000006680495 570674437 /nfs/dbraw/zinc/67/44/37/570674437.db2.gz DTSJPGSNKANOOS-UHFFFAOYSA-N 0 0 395.458 2.871 40 0 GFABRN CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCc2cccc(OC(C)C)c2)C1 ZINC000260507468 570683178 /nfs/dbraw/zinc/68/31/78/570683178.db2.gz LUFGEJDSCZARFF-SFHVURJKSA-N 0 0 396.553 2.584 40 0 GFABRN Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1 ZINC000055526802 570695945 /nfs/dbraw/zinc/69/59/45/570695945.db2.gz CVFGHAIDPHDBSP-UHFFFAOYSA-N 0 0 376.478 2.792 40 0 GFABRN C[C@H](COc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000055731628 570698481 /nfs/dbraw/zinc/69/84/81/570698481.db2.gz QRFCUULIBBTTEL-MRXNPFEDSA-N 0 0 388.489 2.668 40 0 GFABRN Cc1ccccc1OCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000055954734 570698713 /nfs/dbraw/zinc/69/87/13/570698713.db2.gz UQIYFNKUYZUMII-UHFFFAOYSA-N 0 0 396.896 2.610 40 0 GFABRN COc1cc(C)c(S(=O)(=O)NCc2ccc(OC)c(OC)c2OC)c(C)c1 ZINC000056105190 570698892 /nfs/dbraw/zinc/69/88/92/570698892.db2.gz HMUGXWRUONSXSW-UHFFFAOYSA-N 0 0 395.477 2.816 40 0 GFABRN CC[C@H](c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057669977 570702693 /nfs/dbraw/zinc/70/26/93/570702693.db2.gz AQYDWJLLFQFFDZ-MRXNPFEDSA-N 0 0 398.433 2.612 40 0 GFABRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000260759378 570702970 /nfs/dbraw/zinc/70/29/70/570702970.db2.gz AXMUQZGLEGUYSV-KGLIPLIRSA-N 0 0 394.468 2.866 40 0 GFABRN CCS(=O)(=O)N1C[C@@H](C(=O)NC[C@H](C)c2ccccc2)Oc2ccccc21 ZINC000260850858 570711286 /nfs/dbraw/zinc/71/12/86/570711286.db2.gz SEHPDPPRTAUHOH-KXBFYZLASA-N 0 0 388.489 2.524 40 0 GFABRN CC(C)[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000260899773 570713668 /nfs/dbraw/zinc/71/36/68/570713668.db2.gz PWSMQOKYHYVKGY-DNVCBOLYSA-N 0 0 388.489 2.804 40 0 GFABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccn1 ZINC000005338465 570732177 /nfs/dbraw/zinc/73/21/77/570732177.db2.gz HQSLGOKONZAITQ-UHFFFAOYSA-N 0 0 399.447 2.732 40 0 GFABRN O=C(CSc1nnnn1-c1ccccc1)Nc1nnc(-c2ccccc2)s1 ZINC000005948130 570737222 /nfs/dbraw/zinc/73/72/22/570737222.db2.gz TYFQUVOCHKXNMP-UHFFFAOYSA-N 0 0 395.473 2.912 40 0 GFABRN Cc1ccc(CN2C(=O)N/C(=C\c3cn(CC(N)=O)c4ccccc34)C2=O)cc1 ZINC000006044351 570737667 /nfs/dbraw/zinc/73/76/67/570737667.db2.gz HMKCVXVDQPNDCQ-ZDLGFXPLSA-N 0 0 388.427 2.528 40 0 GFABRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccs3)N2N1 ZINC000588225047 570744049 /nfs/dbraw/zinc/74/40/49/570744049.db2.gz JRGPKELCUFHSCL-QGZVFWFLSA-N 0 0 384.530 2.815 40 0 GFABRN CCOc1cc(Br)c(/C=C2\NC(=S)N(CC)C2=O)cc1OC ZINC000006950792 570751359 /nfs/dbraw/zinc/75/13/59/570751359.db2.gz HKKWULVLZYJJDF-WDZFZDKYSA-N 0 0 385.283 2.934 40 0 GFABRN CS(=O)(=O)[C@](Cl)(I)C(=O)c1cccc(Cl)c1 ZINC000096518226 570754310 /nfs/dbraw/zinc/75/43/10/570754310.db2.gz PXBIKMWDZATMQS-SECBINFHSA-N 0 0 393.029 2.895 40 0 GFABRN COC(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000008092332 570765070 /nfs/dbraw/zinc/76/50/70/570765070.db2.gz AVJXQRPKJMFDNW-UHFFFAOYSA-N 0 0 396.852 2.531 40 0 GFABRN COCCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1ccncc1 ZINC000008372492 570768472 /nfs/dbraw/zinc/76/84/72/570768472.db2.gz WDYKAFASRBQRTQ-UHFFFAOYSA-N 0 0 397.504 2.703 40 0 GFABRN Cc1ncsc1C(=O)N1CCC[C@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257241065 570768507 /nfs/dbraw/zinc/76/85/07/570768507.db2.gz HWLDWGUERDLXBN-AWEZNQCLSA-N 0 0 382.493 2.970 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(C)c1 ZINC000013671743 570770850 /nfs/dbraw/zinc/77/08/50/570770850.db2.gz YCVRRWLZOYWSMQ-UHFFFAOYSA-N 0 0 388.489 2.718 40 0 GFABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2nc(-c3cccnc3)nn21 ZINC000009926479 570777387 /nfs/dbraw/zinc/77/73/87/570777387.db2.gz OLFKEEJPXGEMBS-AWEZNQCLSA-N 0 0 382.811 2.824 40 0 GFABRN COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccccc1 ZINC000010119959 570782913 /nfs/dbraw/zinc/78/29/13/570782913.db2.gz SXHSABHQWDPLND-UHFFFAOYSA-N 0 0 381.417 2.879 40 0 GFABRN Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4C[C@@H](C)O[C@H](C)C4)ncc32)on1 ZINC000013225909 570837913 /nfs/dbraw/zinc/83/79/13/570837913.db2.gz LPTLSOANZWMVBV-IIAWOOMASA-N 0 0 399.495 2.830 40 0 GFABRN Cc1ccccc1C(=O)N1[C@@H](C(=O)[O-])COC12CC[NH+](Cc1ccccc1)CC2 ZINC000071980597 570857740 /nfs/dbraw/zinc/85/77/40/570857740.db2.gz SWUCKISRZVWKCE-HXUWFJFHSA-N 0 0 394.471 2.913 40 0 GFABRN O=C([O-])[C@H]1COC2(CC[NH+](Cc3ccccc3)CC2)N1C(=O)Cc1ccccc1 ZINC000071980571 570857865 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375.352 2.805 40 0 GFABRN COc1cccc(C(=O)NC[C@H]2CC[C@H](c3ccnc4ncnn43)CC2)c1OC ZINC000257255630 570895174 /nfs/dbraw/zinc/89/51/74/570895174.db2.gz KIGDBJAZSGSPAU-SHTZXODSSA-N 0 0 395.463 2.845 40 0 GFABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)C)cc2)c1 ZINC000033627961 570910188 /nfs/dbraw/zinc/91/01/88/570910188.db2.gz AHIICYDYKUHRBB-UHFFFAOYSA-N 0 0 376.478 2.947 40 0 GFABRN CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000017081438 570919429 /nfs/dbraw/zinc/91/94/29/570919429.db2.gz BFPLSOZROXFXCI-SWLSCSKDSA-N 0 0 398.381 2.612 40 0 GFABRN C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)c2ccncc2)C[C@H](C)O1 ZINC000019497659 570926286 /nfs/dbraw/zinc/92/62/86/570926286.db2.gz OIKJAEJUAXVTEB-DAYGRLMNSA-N 0 0 395.507 2.929 40 0 GFABRN O=C(Cc1ccccn1)N1CC[C@@]2(CCC[C@@H]2C(=O)N[C@@H]2CCC2(F)F)C1 ZINC000585107319 570934939 /nfs/dbraw/zinc/93/49/39/570934939.db2.gz PRUVZRLXUYEGGA-MDZRGWNJSA-N 0 0 377.435 2.557 40 0 GFABRN CN(Cc1cn(C)nn1)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1 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/nfs/dbraw/zinc/94/46/22/570944622.db2.gz SBDHBNDACGWAHB-SFHVURJKSA-N 0 0 385.512 2.512 40 0 GFABRN CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)Oc2ccccc21 ZINC000250242976 570960451 /nfs/dbraw/zinc/96/04/51/570960451.db2.gz MSYORMAEYGGTKZ-ACJLOTCBSA-N 0 0 392.452 2.620 40 0 GFABRN Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1N ZINC000001364476 570965728 /nfs/dbraw/zinc/96/57/28/570965728.db2.gz VRMSGJSMBFQZGL-UHFFFAOYSA-N 0 0 383.433 2.524 40 0 GFABRN O=C1N[C@@H](c2ccc(O)cc2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000004279744 570969161 /nfs/dbraw/zinc/96/91/61/570969161.db2.gz JIAMXIWSZJUDBV-TYNCELHUSA-N 0 0 386.351 2.558 40 0 GFABRN CC(=O)Nc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000243322306 570986505 /nfs/dbraw/zinc/98/65/05/570986505.db2.gz LNZZOQHMTVUXLT-UHFFFAOYSA-N 0 0 389.477 2.667 40 0 GFABRN CCOC(=O)c1s/c(=N\c2ccccc2)n(CCN2CCOCC2)c1C ZINC000004614473 570986665 /nfs/dbraw/zinc/98/66/65/570986665.db2.gz NNKWYALWYMFCCR-VXPUYCOJSA-N 0 0 375.494 2.599 40 0 GFABRN CCc1cccc(C)c1NC(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000244221487 570989265 /nfs/dbraw/zinc/98/92/65/570989265.db2.gz WACCNBUMRADILQ-UHFFFAOYSA-N 0 0 376.478 2.971 40 0 GFABRN Cc1nc2nc(-c3ccc(NC(=O)CCCN4CCCC4=O)cc3)cn2nc1C ZINC000019657401 571023936 /nfs/dbraw/zinc/02/39/36/571023936.db2.gz XJRFKUIUOVRQCL-UHFFFAOYSA-N 0 0 392.463 2.749 40 0 GFABRN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc2c(c1)OCCO2 ZINC000020528490 230904462 /nfs/dbraw/zinc/90/44/62/230904462.db2.gz YKSPBEKVHBWNTC-UHFFFAOYSA-N 0 0 379.401 2.876 40 0 GFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1C ZINC000408551422 231058335 /nfs/dbraw/zinc/05/83/35/231058335.db2.gz HUCCRBIWNNZBSE-CABCVRRESA-N 0 0 376.478 2.548 40 0 GFABRN Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000408552721 231058599 /nfs/dbraw/zinc/05/85/99/231058599.db2.gz NDLRREKBRXVRFP-UHFFFAOYSA-N 0 0 380.231 2.995 40 0 GFABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1C ZINC000408556124 231058939 /nfs/dbraw/zinc/05/89/39/231058939.db2.gz CHWRNEOEHRQWNB-NSHDSACASA-N 0 0 384.404 2.587 40 0 GFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000408612146 231079594 /nfs/dbraw/zinc/07/95/94/231079594.db2.gz XRBLWGQXZNIWBM-CYBMUJFWSA-N 0 0 396.896 2.640 40 0 GFABRN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3)CC2=O)cc1C ZINC000409139532 231169981 /nfs/dbraw/zinc/16/99/81/231169981.db2.gz AWPDRPIPXZTWGN-HNNXBMFYSA-N 0 0 384.407 2.977 40 0 GFABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000409331694 231190627 /nfs/dbraw/zinc/19/06/27/231190627.db2.gz OKLBLAVMYAURHG-INIZCTEOSA-N 0 0 388.489 2.729 40 0 GFABRN CN(C)S(=O)(=O)N1CCC[C@](C)(c2ncc(Cc3ccccc3F)o2)C1 ZINC000257225214 222756882 /nfs/dbraw/zinc/75/68/82/222756882.db2.gz FFHSSNPILROZHD-SFHVURJKSA-N 0 0 381.473 2.564 40 0 GFABRN O=C(c1ccco1)N1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144916 209108349 /nfs/dbraw/zinc/10/83/49/209108349.db2.gz ZSCJDDWTPUIONU-ROUUACIJSA-N 0 0 379.391 2.942 40 0 GFABRN C[C@@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329035314 206242738 /nfs/dbraw/zinc/24/27/38/206242738.db2.gz RCZVBOZXGNMJNT-QMMMGPOBSA-N 0 0 396.291 2.774 40 0 GFABRN C[C@H](c1ccccc1)n1cc(C(=O)Nc2ccccc2N2CCOCC2)nn1 ZINC000004929625 206259902 /nfs/dbraw/zinc/25/99/02/206259902.db2.gz LWVZGHXVGVVDCW-MRXNPFEDSA-N 0 0 377.448 2.976 40 0 GFABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCCC3)cc2c1 ZINC000000782694 206259952 /nfs/dbraw/zinc/25/99/52/206259952.db2.gz RLZMTSDPSCPAPV-GOSISDBHSA-N 0 0 396.495 2.854 40 0 GFABRN CCSc1nc2n(n1)[C@@H](c1cnn(C)c1)[C@@H](C(=O)Nc1ccccc1)[C@@H](C)N2 ZINC000104611371 206253896 /nfs/dbraw/zinc/25/38/96/206253896.db2.gz CUODOWOBTTYGSB-KCXAZCMYSA-N 0 0 397.508 2.782 40 0 GFABRN CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2OC)s1 ZINC000001379760 206260537 /nfs/dbraw/zinc/26/05/37/206260537.db2.gz CTGYPLHQOQHZOE-GFCCVEGCSA-N 0 0 375.454 2.744 40 0 GFABRN COc1ccc(CNC(=O)Cn2nnc(-c3ccc(OCC(C)C)cc3)n2)cc1 ZINC000000878281 206260286 /nfs/dbraw/zinc/26/02/86/206260286.db2.gz FDQIBAJXNMDRHE-UHFFFAOYSA-N 0 0 395.463 2.700 40 0 GFABRN C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000253408609 206283089 /nfs/dbraw/zinc/28/30/89/206283089.db2.gz YJEDHPUODRFJFV-AWEZNQCLSA-N 0 0 396.422 2.891 40 0 biogenic,in-vitro GFABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000000789543 206321963 /nfs/dbraw/zinc/32/19/63/206321963.db2.gz XURWEUMYJXQTST-UHFFFAOYSA-N 0 0 390.480 2.851 40 0 GFABRN COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000883469 206330936 /nfs/dbraw/zinc/33/09/36/206330936.db2.gz WZETZSBWYXQHIN-UHFFFAOYSA-N 0 0 388.445 2.510 40 0 GFABRN CCn1c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2c2ccccc2c1=O ZINC000001331726 206373025 /nfs/dbraw/zinc/37/30/25/206373025.db2.gz YEUMQZJPZPPYKF-KBPBESRZSA-N 0 0 399.520 2.946 40 0 GFABRN O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000001345726 206374224 /nfs/dbraw/zinc/37/42/24/206374224.db2.gz HTBWSXQOUKWODX-UHFFFAOYSA-N 0 0 398.528 2.813 40 0 GFABRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)Oc1ccccc1 ZINC000001576255 206385326 /nfs/dbraw/zinc/38/53/26/206385326.db2.gz IBPGOHOPKSDPAT-SJORKVTESA-N 0 0 388.464 2.983 40 0 GFABRN CC(=O)Nc1nc(N)nc2c1C[C@@H](N(Cc1ccc(Cl)cc1)C(C)=O)CC2 ZINC000001568009 206386205 /nfs/dbraw/zinc/38/62/05/206386205.db2.gz ZFBWWJSFJREVFA-HNNXBMFYSA-N 0 0 387.871 2.577 40 0 GFABRN CNc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000001999817 206396237 /nfs/dbraw/zinc/39/62/37/206396237.db2.gz NLBLGIGBTKMQSA-MRXNPFEDSA-N 0 0 398.459 2.905 40 0 GFABRN C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004553367 206529389 /nfs/dbraw/zinc/52/93/89/206529389.db2.gz BIKOHLLBMQDSFE-XWKQNIGYSA-N 0 0 391.265 2.807 40 0 GFABRN O=C(CCCCOCCCCC(=O)OC[C@@H]1CCCO1)OC[C@@H]1CCCO1 ZINC000004896171 206568801 /nfs/dbraw/zinc/56/88/01/206568801.db2.gz CJMPCZXAUUWQRN-ROUUACIJSA-N 0 0 386.485 2.788 40 0 GFABRN CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000005443575 206612910 /nfs/dbraw/zinc/61/29/10/206612910.db2.gz VVWZCNDPQKCPSJ-UHFFFAOYSA-N 0 0 392.502 2.682 40 0 GFABRN CC1=NN(C(=O)c2ccccc2)C2(C1)CCN(C(=O)Cc1cccnc1)CC2 ZINC000306141858 209106884 /nfs/dbraw/zinc/10/68/84/209106884.db2.gz WILRMPCWHKUZJC-UHFFFAOYSA-N 0 0 376.460 2.907 40 0 GFABRN CCCNS(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1N1CCCC1 ZINC000010009914 206806346 /nfs/dbraw/zinc/80/63/46/206806346.db2.gz PFQGSSUFFUWORY-UHFFFAOYSA-N 0 0 393.553 2.991 40 0 GFABRN Cn1nc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2nccnc21 ZINC000012228541 206873645 /nfs/dbraw/zinc/87/36/45/206873645.db2.gz XDGKDGFOZUNHTF-UHFFFAOYSA-N 0 0 391.884 2.585 40 0 GFABRN CCn1cc(S(=O)(=O)N2CCC[C@@H](COc3ccccc3OC)C2)c(C)n1 ZINC000012239627 206874625 /nfs/dbraw/zinc/87/46/25/206874625.db2.gz DOUJPPQJPYNLQP-MRXNPFEDSA-N 0 0 393.509 2.700 40 0 GFABRN Cc1cccc(NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccco2)c1 ZINC000013856433 207002669 /nfs/dbraw/zinc/00/26/69/207002669.db2.gz YHVQUFHTUQQOGA-BZSNNMDCSA-N 0 0 395.459 2.869 40 0 GFABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(F)cc1 ZINC000016188230 207074993 /nfs/dbraw/zinc/07/49/93/207074993.db2.gz LQVHHYCSHUUTBI-UHFFFAOYSA-N 0 0 386.832 2.747 40 0 GFABRN CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2SC)ccc1OC ZINC000016681882 207076478 /nfs/dbraw/zinc/07/64/78/207076478.db2.gz GDCWNLRRILOASG-UHFFFAOYSA-N 0 0 380.491 2.968 40 0 GFABRN O=C(NCc1ccco1)NC[C@@H]1CCC[C@H](CNC(=O)NCc2ccco2)C1 ZINC000018141952 207094187 /nfs/dbraw/zinc/09/41/87/207094187.db2.gz STTWEESENNJORW-IYBDPMFKSA-N 0 0 388.468 2.978 40 0 GFABRN CC(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C(=O)c2cc4ccccc4o2)C3)C1 ZINC000019016680 207098957 /nfs/dbraw/zinc/09/89/57/207098957.db2.gz YTVBCEJCKIWKEC-MRXNPFEDSA-N 0 0 390.443 2.757 40 0 GFABRN COc1ccccc1CN1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000019017129 207100115 /nfs/dbraw/zinc/10/01/15/207100115.db2.gz MDODELSHNBWIOQ-SFHVURJKSA-N 0 0 380.492 2.769 40 0 GFABRN COc1ccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1 ZINC000019020382 207101786 /nfs/dbraw/zinc/10/17/86/207101786.db2.gz GDGHTHQXUWNEBU-QFIPXVFZSA-N 0 0 381.476 2.749 40 0 GFABRN CC(=O)N1CCc2nc([C@H]3CCN(C(=O)[C@H](C)c4ccc(C)cc4)C3)ncc2C1 ZINC000019135734 207104033 /nfs/dbraw/zinc/10/40/33/207104033.db2.gz GTNAPSNPIILBSH-APWZRJJASA-N 0 0 392.503 2.809 40 0 GFABRN Cc1cc(-c2cn(CCO)nc2[C@@H]2CCCCN2C(=O)c2ccccn2)on1 ZINC000019121426 207105168 /nfs/dbraw/zinc/10/51/68/207105168.db2.gz IOINPPQPKUZDAT-KRWDZBQOSA-N 0 0 381.436 2.601 40 0 GFABRN Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nnc(-c4ccc(C)nc4)o3)C2)cc1 ZINC000019211303 207105885 /nfs/dbraw/zinc/10/58/85/207105885.db2.gz REGZBIZSOFVRAV-MRXNPFEDSA-N 0 0 384.461 2.927 40 0 GFABRN Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)cn1 ZINC000019214781 207107436 /nfs/dbraw/zinc/10/74/36/207107436.db2.gz OBNWEUNIRFREEL-QIDMFYOTSA-N 0 0 376.460 2.938 40 0 GFABRN Cc1cnc(-c2nnc(C3CCN(C(=O)Cc4ccccc4F)CC3)o2)cn1 ZINC000019239228 207111989 /nfs/dbraw/zinc/11/19/89/207111989.db2.gz KXVMFJXTRHRARF-UHFFFAOYSA-N 0 0 381.411 2.923 40 0 GFABRN Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CCN(Cc1ccccc1)C2 ZINC000019286130 207113114 /nfs/dbraw/zinc/11/31/14/207113114.db2.gz UBNGLSVTBDNRFO-UHFFFAOYSA-N 0 0 394.519 2.559 40 0 GFABRN Cn1ccnc1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019291311 207113877 /nfs/dbraw/zinc/11/38/77/207113877.db2.gz FUVNVFPQHWAMLC-GFOJFJKKSA-N 0 0 376.504 2.866 40 0 GFABRN O=C(Cc1ccsc1)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 ZINC000019406424 207120906 /nfs/dbraw/zinc/12/09/06/207120906.db2.gz GTRCPGNMLQJZRL-UHFFFAOYSA-N 0 0 386.502 2.904 40 0 GFABRN O=S(=O)(Cc1cccc(F)c1)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000019293942 207115604 /nfs/dbraw/zinc/11/56/04/207115604.db2.gz QFBYPVBDCOFSRT-UHFFFAOYSA-N 0 0 392.500 2.853 40 0 GFABRN NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000019331610 207116600 /nfs/dbraw/zinc/11/66/00/207116600.db2.gz KPRJGWZSIKHRLY-UWJYYQICSA-N 0 0 384.501 2.841 40 0 GFABRN C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019497003 207124943 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553057194 /nfs/dbraw/zinc/05/71/94/553057194.db2.gz PVZHFFSICSMRHT-LBPRGKRZSA-N 0 0 387.910 2.924 40 0 GFABRN COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224957682 553058379 /nfs/dbraw/zinc/05/83/79/553058379.db2.gz RPVLOYNMTOVDCN-UHFFFAOYSA-N 0 0 387.816 2.856 40 0 GFABRN CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3ccncc3F)C[C@H]21 ZINC000514288586 560034533 /nfs/dbraw/zinc/03/45/33/560034533.db2.gz FDTOMYUOJFPQKV-WBVHZDCISA-N 0 0 395.356 2.957 40 0 biogenic,in-vitro GFABRN O=C1CO[C@H]2CN(Cc3cccnc3)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000067897312 560049982 /nfs/dbraw/zinc/04/99/82/560049982.db2.gz OMCSVPNOTSZQOU-MSOLQXFVSA-N 0 0 391.393 2.712 40 0 biogenic,in-vitro GFABRN COC(=O)[C@@H]1Cc2ncn(C)c2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000015676565 560094673 /nfs/dbraw/zinc/09/46/73/560094673.db2.gz AUWOTAHZXJXJSA-IBGZPJMESA-N 0 0 375.428 2.827 40 0 biogenic,in-vitro GFABRN O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2Nc1nccc(C2CCCC2)n1)c1ccccc1 ZINC000005433969 560201997 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O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cccc(N2CCCC2=O)c1 ZINC000125554384 208470659 /nfs/dbraw/zinc/47/06/59/208470659.db2.gz DTEYJSFZUXYMOV-UHFFFAOYSA-N 0 0 391.471 2.866 40 0 GFABRN O=C(Nc1cccc(I)c1)c1ccc(-n2cnnn2)cc1 ZINC000000873825 208484129 /nfs/dbraw/zinc/48/41/29/208484129.db2.gz BYJZWFFCJKQQJY-UHFFFAOYSA-N 0 0 391.172 2.519 40 0 GFABRN COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC ZINC000004160184 208537481 /nfs/dbraw/zinc/53/74/81/208537481.db2.gz LXCHGBFVKXGNSG-KRWDZBQOSA-N 0 0 382.460 2.724 40 0 GFABRN CCOc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccccc2F)cc1 ZINC000005000193 208662657 /nfs/dbraw/zinc/66/26/57/208662657.db2.gz VJALGMCAAXBZTK-RDTXWAMCSA-N 0 0 387.411 2.830 40 0 GFABRN Cc1nc2c(n1C(C)C)CN(C(=O)C1CC1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306131361 209102788 /nfs/dbraw/zinc/10/27/88/209102788.db2.gz KCKQXLQPQVLKSM-UHFFFAOYSA-N 0 0 387.528 2.540 40 0 GFABRN CN1CC2(CCN(Cc3nccs3)CC2)c2nn(CC3CCC3)cc2C1=O ZINC000306132835 209102512 /nfs/dbraw/zinc/10/25/12/209102512.db2.gz 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ZINC000053698012 551167722 /nfs/dbraw/zinc/16/77/22/551167722.db2.gz IBZGIWXXFXQGKO-CYBMUJFWSA-N 0 0 379.503 2.618 40 0 GFABRN COC[C@@]1(N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218124689 553053333 /nfs/dbraw/zinc/05/33/33/553053333.db2.gz PKVFIFUSPJJAJM-FGTMMUONSA-N 0 0 381.881 2.632 40 0 GFABRN COC[C@@]1(N)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218220680 553053494 /nfs/dbraw/zinc/05/34/94/553053494.db2.gz ZKJMIFCSCOFZLW-YESZJQIVSA-N 0 0 396.306 2.733 40 0 GFABRN [NH3+][C@]1(C(=O)[O-])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218650629 553054008 /nfs/dbraw/zinc/05/40/08/553054008.db2.gz GPGFIWGTIGBEPS-IJEWVQPXSA-N 0 0 386.256 2.715 40 0 GFABRN CSc1cccc(N(CC(=O)N2CCc3ccccc32)S(C)(=O)=O)c1 ZINC000220069770 553054868 /nfs/dbraw/zinc/05/48/68/553054868.db2.gz MPRCLKBYSDGWLM-UHFFFAOYSA-N 0 0 376.503 2.764 40 0 GFABRN COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000223459763 553055959 /nfs/dbraw/zinc/05/59/59/553055959.db2.gz 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/nfs/dbraw/zinc/06/07/81/553060781.db2.gz OXEMEKPWCVPQNP-MRXNPFEDSA-N 0 0 382.869 2.968 40 0 GFABRN [NH3+][C@@]1(C(=O)[O-])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242495744 553088136 /nfs/dbraw/zinc/08/81/36/553088136.db2.gz GPGFIWGTIGBEPS-IIAWOOMASA-N 0 0 386.256 2.715 40 0 GFABRN CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCCN(S(C)(=O)=O)C2)s1 ZINC000257226478 553152602 /nfs/dbraw/zinc/15/26/02/553152602.db2.gz FKTNPAPQRMHPIC-CYBMUJFWSA-N 0 0 380.539 2.938 40 0 GFABRN O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1)C1CCC1 ZINC000072321108 560077008 /nfs/dbraw/zinc/07/70/08/560077008.db2.gz WSYUZMDIYZTIDC-IFMALSPDSA-N 0 0 394.471 2.886 40 0 biogenic,in-vitro GFABRN COc1cc([C@@H]2c3cc4c(cc3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000003871570 560190851 /nfs/dbraw/zinc/19/08/51/560190851.db2.gz ZGLXUQQMLLIKAN-GBLZOACLSA-N 0 0 398.411 2.918 40 0 biogenic,in-vitro GFABRN CC(C)C(=O)NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000408619809 563560063 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COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000216341045 570299285 /nfs/dbraw/zinc/29/92/85/570299285.db2.gz GNYNEZYOXZQOJX-OAHLLOKOSA-N 0 0 386.448 2.868 40 0 GFABRN COc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1OC ZINC000216352891 570299691 /nfs/dbraw/zinc/29/96/91/570299691.db2.gz DFSPTFGILZIYOK-ZDUSSCGKSA-N 0 0 392.477 2.875 40 0 GFABRN COc1ccc(CCCNC(=O)c2cccc(CN3CCOCC3)c2)cc1OC ZINC000110663823 570324387 /nfs/dbraw/zinc/32/43/87/570324387.db2.gz GWAJOAOFARDAEM-UHFFFAOYSA-N 0 0 398.503 2.899 40 0 GFABRN COC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000113871905 570334179 /nfs/dbraw/zinc/33/41/79/570334179.db2.gz AXKFWOMXCNUWNU-UHFFFAOYSA-N 0 0 390.461 2.630 40 0 GFABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003565833 570348516 /nfs/dbraw/zinc/34/85/16/570348516.db2.gz RPUFKZLTUGLBEJ-UHFFFAOYSA-N 0 0 398.843 2.752 40 0 GFABRN Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000219218995 570350070 /nfs/dbraw/zinc/35/00/70/570350070.db2.gz 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GZSNQRPFRGGCPI-HNNXBMFYSA-N 0 0 383.418 2.993 40 0 GFABRN Cc1ccccc1CNC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O ZINC000220103365 570382164 /nfs/dbraw/zinc/38/21/64/570382164.db2.gz CEQBUKZKRFKPEJ-UHFFFAOYSA-N 0 0 390.505 2.865 40 0 GFABRN CCc1ccc(N([C@@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1 ZINC000220265970 570384215 /nfs/dbraw/zinc/38/42/15/570384215.db2.gz BLMUZIURSIHSRA-INIZCTEOSA-N 0 0 386.517 2.988 40 0 GFABRN COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1cccc(C)c1)S(C)(=O)=O ZINC000220345069 570385603 /nfs/dbraw/zinc/38/56/03/570385603.db2.gz OUQLXVFPJZPFFD-INIZCTEOSA-N 0 0 390.505 2.783 40 0 GFABRN CC[C@H](C(=O)Nc1ccccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220639932 570389842 /nfs/dbraw/zinc/38/98/42/570389842.db2.gz ORYDOJCSPVFYNZ-QGZVFWFLSA-N 0 0 392.477 2.887 40 0 GFABRN Nc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(N)cc2N)c(N)c1 ZINC000005022386 570398658 /nfs/dbraw/zinc/39/86/58/570398658.db2.gz VFKJYEPKNRIXFU-UHFFFAOYSA-N 0 0 376.420 2.520 40 0 GFABRN 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CC[C@H](C(=O)NCc1cccc(C)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000113967353 570337963 /nfs/dbraw/zinc/33/79/63/570337963.db2.gz HNWRGDAHDXUYGB-QGZVFWFLSA-N 0 0 378.469 2.995 40 0 GFABRN CCN(c1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1)S(=O)(=O)CC ZINC000113972399 570339111 /nfs/dbraw/zinc/33/91/11/570339111.db2.gz SCPPVKAQSIZWSG-UHFFFAOYSA-N 0 0 390.461 2.902 40 0 GFABRN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000003556655 570348143 /nfs/dbraw/zinc/34/81/43/570348143.db2.gz IYPFHPLEIAIYDI-UHFFFAOYSA-N 0 0 388.489 2.540 40 0 GFABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc1OC ZINC000006326860 570357514 /nfs/dbraw/zinc/35/75/14/570357514.db2.gz PHBQZZWIDSDBBV-OVCLIPMQSA-N 0 0 379.434 2.939 40 0 GFABRN Cc1cccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)CC2)c1C ZINC000057670347 570367928 /nfs/dbraw/zinc/36/79/28/570367928.db2.gz IQDBEQLWPSJOIY-TZIWHRDSSA-N 0 0 398.555 2.988 40 0 GFABRN CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC ZINC000408625203 570376618 /nfs/dbraw/zinc/37/66/18/570376618.db2.gz 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CC(C)(C)n1nnc(CC(=O)Nc2n[nH]c(-c3cccc4ccccc43)n2)n1 ZINC000685939021 570397296 /nfs/dbraw/zinc/39/72/96/570397296.db2.gz LBFKKDHOXIHZGE-UHFFFAOYSA-N 0 0 376.424 2.548 40 0 GFABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000024906382 570398223 /nfs/dbraw/zinc/39/82/23/570398223.db2.gz RJLLQVSHPNWOHT-GOSISDBHSA-N 0 0 376.478 2.583 40 0 GFABRN CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000016248513 570403174 /nfs/dbraw/zinc/40/31/74/570403174.db2.gz ABZDKXUQTZMNQP-VIFPVBQESA-N 0 0 384.807 2.969 40 0 GFABRN CN(c1cccc(C(=O)NCCSCc2ccccc2F)c1)S(C)(=O)=O ZINC000222418282 570410220 /nfs/dbraw/zinc/41/02/20/570410220.db2.gz VGIUDYJHWCMDEG-UHFFFAOYSA-N 0 0 396.509 2.885 40 0 GFABRN CCOc1ccccc1CNC(=O)c1cccc(N(C)S(C)(=O)=O)c1C ZINC000222440197 570410821 /nfs/dbraw/zinc/41/08/21/570410821.db2.gz WZDCMMLXNYTRRC-UHFFFAOYSA-N 0 0 376.478 2.720 40 0 GFABRN COc1ccc(OC)c(NC(=O)c2ccc(C)c(N(C)S(C)(=O)=O)c2)c1 ZINC000222448006 570411258 /nfs/dbraw/zinc/41/12/58/570411258.db2.gz KSFZCVKYDYWYBB-UHFFFAOYSA-N 0 0 378.450 2.660 40 0 GFABRN COc1cccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 ZINC000222759916 570424310 /nfs/dbraw/zinc/42/43/10/570424310.db2.gz DTQQDRSHILWZLN-UHFFFAOYSA-N 0 0 398.484 2.931 40 0 GFABRN O=C(Cn1c2cnnn2c2ccccc2c1=O)Nc1ccccc1C(F)(F)F ZINC000005035259 570425215 /nfs/dbraw/zinc/42/52/15/570425215.db2.gz FHSXCPILFMIEFM-UHFFFAOYSA-N 0 0 387.321 2.702 40 0 GFABRN CC[C@]1(c2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CCC(=O)NC1=O ZINC000005260006 570432783 /nfs/dbraw/zinc/43/27/83/570432783.db2.gz HYVMCKRMBIDPHO-HXUWFJFHSA-N 0 0 386.473 2.713 40 0 GFABRN COc1cccc(OC)c1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000222957875 570433214 /nfs/dbraw/zinc/43/32/14/570433214.db2.gz MEYRKVKMDKZIDC-UHFFFAOYSA-N 0 0 378.450 2.515 40 0 GFABRN CCOc1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000223007217 570437026 /nfs/dbraw/zinc/43/70/26/570437026.db2.gz VWHWISSYJJROJT-UHFFFAOYSA-N 0 0 376.478 2.794 40 0 GFABRN COC(=O)CSc1nnc(NC(=O)COc2ccc3c(c2)CCCC3)s1 ZINC000223229603 570451400 /nfs/dbraw/zinc/45/14/00/570451400.db2.gz POBGGVJOMZFKCM-UHFFFAOYSA-N 0 0 393.490 2.700 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CCC(C)CC1 ZINC000223236125 570451977 /nfs/dbraw/zinc/45/19/77/570451977.db2.gz YQTLKLOYFLGEDB-UHFFFAOYSA-N 0 0 394.537 2.671 40 0 GFABRN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 ZINC000028196310 570452364 /nfs/dbraw/zinc/45/23/64/570452364.db2.gz DLXIICKIPGFIJQ-UHFFFAOYSA-N 0 0 377.418 2.759 40 0 GFABRN CC(=O)Nc1ccc(/C=c2\sc3nnc(/C=C\c4ccccc4)n3c2=O)cc1 ZINC000005723195 570453145 /nfs/dbraw/zinc/45/31/45/570453145.db2.gz KBNBLYDQMCBEMG-ISGNFXHLSA-N 0 0 388.452 2.828 40 0 GFABRN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 ZINC000028240297 570453329 /nfs/dbraw/zinc/45/33/29/570453329.db2.gz PCJWRFQYEBPTKH-UHFFFAOYSA-N 0 0 377.418 2.759 40 0 GFABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 ZINC000223302687 570457240 /nfs/dbraw/zinc/45/72/40/570457240.db2.gz APXCEEOCYAZVPH-UHFFFAOYSA-N 0 0 396.399 2.639 40 0 GFABRN CCn1c2ccc(S(=O)(=O)Nc3ccc(OC)c4ncccc34)cc2oc1=O ZINC000223350697 570460806 /nfs/dbraw/zinc/46/08/06/570460806.db2.gz VPEFDKYAUFFXDR-UHFFFAOYSA-N 0 0 399.428 2.972 40 0 GFABRN COCCN1C(=O)S/C(=C\c2ccc(I)o2)C1=O ZINC000008104391 570463543 /nfs/dbraw/zinc/46/35/43/570463543.db2.gz RVDJPJFBYMBGSS-VURMDHGXSA-N 0 0 379.175 2.567 40 0 GFABRN CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1 ZINC000223398255 570464085 /nfs/dbraw/zinc/46/40/85/570464085.db2.gz KQKLLNXGLBBPLP-ZDUSSCGKSA-N 0 0 376.478 2.657 40 0 GFABRN COc1cccc(OCCNC(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000223451676 570466659 /nfs/dbraw/zinc/46/66/59/570466659.db2.gz CCRFOIWJWWFZPK-PKNBQFBNSA-N 0 0 387.432 2.929 40 0 GFABRN COc1ccccc1OCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000223451430 570466696 /nfs/dbraw/zinc/46/66/96/570466696.db2.gz DWLWKYNOARMUFE-ZRDIBKRKSA-N 0 0 387.432 2.929 40 0 GFABRN COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)ccc1O ZINC000008267989 570470286 /nfs/dbraw/zinc/47/02/86/570470286.db2.gz HUXQWDHRRAEQKN-KPENOIPVSA-N 0 0 390.461 2.838 40 0 GFABRN COc1ccc2c(c1N(CCO)CCO)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000006235581 570472914 /nfs/dbraw/zinc/47/29/14/570472914.db2.gz XXRXISZRSUUGHE-GNVZTASGSA-N 0 0 387.520 2.911 40 0 GFABRN COc1cccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3F)n2)c1 ZINC000223651399 570477001 /nfs/dbraw/zinc/47/70/01/570477001.db2.gz VBXARGKYNHJVMD-UHFFFAOYSA-N 0 0 391.424 2.846 40 0 GFABRN COCc1cccc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1 ZINC000223674476 570477892 /nfs/dbraw/zinc/47/78/92/570477892.db2.gz POGOPXYWVRRBQB-UHFFFAOYSA-N 0 0 392.477 2.555 40 0 GFABRN COc1cccc([C@@H]2NC(=S)N3[C@H](c4cccc(OC)c4)NC(=S)N23)c1 ZINC000006424647 570480005 /nfs/dbraw/zinc/48/00/05/570480005.db2.gz APZIPCVXHHIXIW-HZPDHXFCSA-N 0 0 386.502 2.696 40 0 GFABRN CCc1cc(S(=O)(=O)NCc2cc(OC)c(OC)c(OC)c2)ccc1OC ZINC000223711525 570480707 /nfs/dbraw/zinc/48/07/07/570480707.db2.gz UFARNRNJLGQHQM-UHFFFAOYSA-N 0 0 395.477 2.762 40 0 GFABRN COc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000223766148 570483397 /nfs/dbraw/zinc/48/33/97/570483397.db2.gz HFPOWQDECRUERR-UHFFFAOYSA-N 0 0 389.433 2.575 40 0 GFABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C3/c4ccccc4NC3=O)C2=O)cc1 ZINC000006606259 570484420 /nfs/dbraw/zinc/48/44/20/570484420.db2.gz QHCTXIPQDUKMFQ-MSUUIHNZSA-N 0 0 393.424 2.992 40 0 GFABRN COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1N1CCCC1=O ZINC000223887435 570488866 /nfs/dbraw/zinc/48/88/66/570488866.db2.gz FHUKGDJVUTZYIA-UHFFFAOYSA-N 0 0 394.880 2.954 40 0 GFABRN CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 ZINC000030756513 570495274 /nfs/dbraw/zinc/49/52/74/570495274.db2.gz BFLPYNOGMGLTPA-UHFFFAOYSA-N 0 0 398.488 2.872 40 0 GFABRN O=C(NCC1=CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000224105407 570499129 /nfs/dbraw/zinc/49/91/29/570499129.db2.gz QLMVLXSABLGIFE-UHFFFAOYSA-N 0 0 398.912 2.591 40 0 GFABRN CNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)ccc1OC ZINC000030865511 570499859 /nfs/dbraw/zinc/49/98/59/570499859.db2.gz VZZLXAKQMKZEOW-CQSZACIVSA-N 0 0 376.478 2.711 40 0 GFABRN O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CCCCC1 ZINC000030869074 570500245 /nfs/dbraw/zinc/50/02/45/570500245.db2.gz BHVRHIGHARCYCF-IBGZPJMESA-N 0 0 378.538 2.674 40 0 GFABRN COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000030940079 570501370 /nfs/dbraw/zinc/50/13/70/570501370.db2.gz YOGLBSPXGAZYGV-UHFFFAOYSA-N 0 0 378.432 2.560 40 0 GFABRN COC(=O)[C@@H]1CN(S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2O1 ZINC000007306326 570502527 /nfs/dbraw/zinc/50/25/27/570502527.db2.gz GSIFSCYAWWJMJQ-KRWDZBQOSA-N 0 0 375.446 2.741 40 0 GFABRN CC[C@H](C(=O)NCCOCc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000224298251 570507989 /nfs/dbraw/zinc/50/79/89/570507989.db2.gz HXLBVEGNBDGMRZ-LJQANCHMSA-N 0 0 390.505 2.564 40 0 GFABRN COc1cccc(C2=NN(C(=O)c3cccc(O)c3)[C@](O)(C(F)(F)F)C2)c1 ZINC000032101328 570508314 /nfs/dbraw/zinc/50/83/14/570508314.db2.gz MFGKEIQRDFAWLQ-QGZVFWFLSA-N 0 0 380.322 2.902 40 0 GFABRN CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC000000902302 570514693 /nfs/dbraw/zinc/51/46/93/570514693.db2.gz SUHCIUMOUHMLGI-UHFFFAOYSA-N 0 0 393.553 2.922 40 0 GFABRN COc1ccccc1OCc1nnc(SCC(=O)N2CCCC[C@H]2C)n1C ZINC000000904633 570515639 /nfs/dbraw/zinc/51/56/39/570515639.db2.gz OKVRACUXZZVENG-CQSZACIVSA-N 0 0 390.509 2.896 40 0 GFABRN Cc1c2ccccc2oc1C(=O)N1CC2(C1)CC[C@H](CN1CCCC1=O)CO2 ZINC000575403109 570519690 /nfs/dbraw/zinc/51/96/90/570519690.db2.gz CXPLTBXIIVDVJO-MRXNPFEDSA-N 0 0 382.460 2.985 40 0 GFABRN CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@@H](OCc1ccncc1)CCO2 ZINC000575405044 570521162 /nfs/dbraw/zinc/52/11/62/570521162.db2.gz QWGVIFULOFFYFS-KRWDZBQOSA-N 0 0 385.464 2.921 40 0 GFABRN COc1ccccc1[C@H](C)NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224684144 570524345 /nfs/dbraw/zinc/52/43/45/570524345.db2.gz KRQRXKHBKQCTDT-HNNXBMFYSA-N 0 0 376.478 2.647 40 0 GFABRN CCCOCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC ZINC000224708147 570526134 /nfs/dbraw/zinc/52/61/34/570526134.db2.gz VTJYHXQRXHVFNH-UHFFFAOYSA-N 0 0 392.477 2.912 40 0 GFABRN CC[C@H](NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000224760363 570529499 /nfs/dbraw/zinc/52/94/99/570529499.db2.gz SBHKKPDDTCGEGV-SFHVURJKSA-N 0 0 376.478 2.729 40 0 GFABRN CCN(CC)C(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccccc2)c1 ZINC000224771721 570529922 /nfs/dbraw/zinc/52/99/22/570529922.db2.gz MASVLIAJJHXBEJ-UHFFFAOYSA-N 0 0 390.505 2.998 40 0 GFABRN CNS(=O)(=O)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC ZINC000008476029 570532495 /nfs/dbraw/zinc/53/24/95/570532495.db2.gz KKHYRHGWTNKCFT-UHFFFAOYSA-N 0 0 388.367 2.874 40 0 GFABRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000224844431 570533749 /nfs/dbraw/zinc/53/37/49/570533749.db2.gz LNXKYJZJPFDJQI-UHFFFAOYSA-N 0 0 391.445 2.768 40 0 GFABRN COc1cc(OC)cc(-c2nnc(SCC(=O)NCc3ccco3)o2)c1 ZINC000000929488 570539802 /nfs/dbraw/zinc/53/98/02/570539802.db2.gz IGBGFFLXGUKACU-UHFFFAOYSA-N 0 0 375.406 2.755 40 0 GFABRN COc1ccccc1[C@@H](C)NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224970932 570540404 /nfs/dbraw/zinc/54/04/04/570540404.db2.gz 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CC(C)CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000067896629 560050306 /nfs/dbraw/zinc/05/03/06/560050306.db2.gz OVNVFLONAWZGPF-YLJYHZDGSA-N 0 0 376.497 2.978 40 0 biogenic,in-vitro GFABRN CC(=O)N1CCC(N2CCOC[C@H]2c2nc(-c3ccc(F)cc3F)c[nH]2)CC1 ZINC000072322012 560076460 /nfs/dbraw/zinc/07/64/60/560076460.db2.gz GRYDEPCBWUOGNP-IBGZPJMESA-N 0 0 390.434 2.739 40 0 biogenic,in-vitro GFABRN O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3cncnc3)c12 ZINC000005441120 560202142 /nfs/dbraw/zinc/20/21/42/560202142.db2.gz YEFGNSJSPFUKNJ-JKSUJKDBSA-N 0 0 387.443 2.957 40 0 biogenic,in-vitro GFABRN CN1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000012529906 560212958 /nfs/dbraw/zinc/21/29/58/560212958.db2.gz SBINZOUALAWTOK-OALUTQOASA-N 0 0 391.475 2.905 40 0 biogenic,in-vitro GFABRN CCO[C@@]1(C)C[C@H]1NC(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000528924607 564809853 /nfs/dbraw/zinc/80/98/53/564809853.db2.gz LMXREVBKPCZFBL-WBVHZDCISA-N 0 0 398.301 2.975 40 0 GFABRN CN(C)c1ncc(-c2cc(C(=O)NCCc3ccccn3)n(CC3CC3)c2)cn1 ZINC000096147677 570214526 /nfs/dbraw/zinc/21/45/26/570214526.db2.gz HMQLAYHDFYBROI-UHFFFAOYSA-N 0 0 390.491 2.789 40 0 GFABRN Cc1nc([C@@H]2CCCCN2CC(=O)N2CCCC2)ncc1C(=O)N1CCCCC1 ZINC000019766315 570217689 /nfs/dbraw/zinc/21/76/89/570217689.db2.gz SOAWLPPGQWCHCT-IBGZPJMESA-N 0 0 399.539 2.561 40 0 GFABRN Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 ZINC000585292201 570261590 /nfs/dbraw/zinc/26/15/90/570261590.db2.gz YIVQMGAHJVMJDH-BWPKMQGJSA-N 0 0 395.492 2.748 40 0 GFABRN O=C(Cc1cccs1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020768390 570281912 /nfs/dbraw/zinc/28/19/12/570281912.db2.gz HVOQTGWLPNIXMV-UHFFFAOYSA-N 0 0 378.519 2.782 40 0 GFABRN COc1cccc2c1cc1c(=O)n(CC(=O)NC3CCCCCC3)nc(C)n12 ZINC000006749736 570282316 /nfs/dbraw/zinc/28/23/16/570282316.db2.gz PFAMKAZXUSUWMM-UHFFFAOYSA-N 0 0 382.464 2.805 40 0 GFABRN CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1 ZINC000021094246 570289795 /nfs/dbraw/zinc/28/97/95/570289795.db2.gz MPQAUPDDSSFMBQ-INIZCTEOSA-N 0 0 396.443 2.929 40 0 GFABRN Cc1ccc(CN(c2ccc(OCC(=O)NC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022231478 570308784 /nfs/dbraw/zinc/30/87/84/570308784.db2.gz NNDYIMHCVOUWII-UHFFFAOYSA-N 0 0 390.505 2.865 40 0 GFABRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000575422588 570308879 /nfs/dbraw/zinc/30/88/79/570308879.db2.gz NLGSLIDHUDVQOS-SFHVURJKSA-N 0 0 393.530 2.681 40 0 GFABRN CS(=O)(=O)N(CC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000022335407 570313998 /nfs/dbraw/zinc/31/39/98/570313998.db2.gz HIBXVDFNHMWIDG-KRWDZBQOSA-N 0 0 376.453 2.786 40 0 GFABRN CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000022397725 570315947 /nfs/dbraw/zinc/31/59/47/570315947.db2.gz KQSIHOCJHFWAMW-CQSZACIVSA-N 0 0 394.468 2.868 40 0 GFABRN COc1ccccc1CNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000044791519 570322096 /nfs/dbraw/zinc/32/20/96/570322096.db2.gz QNXNZZJOYBAWPA-UHFFFAOYSA-N 0 0 396.896 2.739 40 0 GFABRN O=C([O-])[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCNCc1ccccc1 ZINC000022592409 570322551 /nfs/dbraw/zinc/32/25/51/570322551.db2.gz YAELKNUBNSQHAA-QGZVFWFLSA-N 0 0 375.856 2.501 40 0 GFABRN CCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000113870402 570334187 /nfs/dbraw/zinc/33/41/87/570334187.db2.gz QLEVUDCHBNTLMD-UHFFFAOYSA-N 0 0 390.461 2.712 40 0 GFABRN CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(F)cc1 ZINC000113887346 570334518 /nfs/dbraw/zinc/33/45/18/570334518.db2.gz NARGECQXYKPZDL-UHFFFAOYSA-N 0 0 381.425 2.983 40 0 GFABRN Cc1ccc(N(CCCC(=O)NCc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000113956470 570335593 /nfs/dbraw/zinc/33/55/93/570335593.db2.gz RTSLSVMVWXRKCF-UHFFFAOYSA-N 0 0 378.469 2.997 40 0 GFABRN CCOc1ccc(CNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 ZINC000113966755 570337777 /nfs/dbraw/zinc/33/77/77/570337777.db2.gz YUCDSRNTNBBBOL-AWEZNQCLSA-N 0 0 394.468 2.695 40 0 GFABRN COc1cc(OC)cc(OCC(=O)NCc2nc(-c3ccc(C)cc3)no2)c1 ZINC000218899489 570343556 /nfs/dbraw/zinc/34/35/56/570343556.db2.gz LOVFDTUJEYFEJG-UHFFFAOYSA-N 0 0 383.404 2.757 40 0 GFABRN COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(OC)c1 ZINC000006326843 570357512 /nfs/dbraw/zinc/35/75/12/570357512.db2.gz YMKJWNPBEZCEHU-VIZOYTHASA-N 0 0 379.434 2.939 40 0 GFABRN COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cc(OC)c1O ZINC000006326840 570357744 /nfs/dbraw/zinc/35/77/44/570357744.db2.gz LBVBPXNYWFDDSQ-VGOFMYFVSA-N 0 0 395.433 2.645 40 0 GFABRN CCCCn1nnc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)n1 ZINC000057316456 570361309 /nfs/dbraw/zinc/36/13/09/570361309.db2.gz JITMUPLRSZCCLN-UHFFFAOYSA-N 0 0 384.465 2.762 40 0 GFABRN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3)n2)c(OC)c1 ZINC000219492036 570364166 /nfs/dbraw/zinc/36/41/66/570364166.db2.gz XDSCUSRDSSWOMJ-CYBMUJFWSA-N 0 0 383.404 2.838 40 0 GFABRN CCC[C@@H](c1nnnn1CCOC)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670012 570367552 /nfs/dbraw/zinc/36/75/52/570367552.db2.gz PDDYNICXSSVTRZ-KRWDZBQOSA-N 0 0 392.935 2.945 40 0 GFABRN COc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000408625392 570377117 /nfs/dbraw/zinc/37/71/17/570377117.db2.gz SLVBZXGGWZKJLB-LLVKDONJSA-N 0 0 398.868 2.663 40 0 GFABRN C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1 ZINC000006824070 570381852 /nfs/dbraw/zinc/38/18/52/570381852.db2.gz ISGKUAFYIORCLO-LLVKDONJSA-N 0 0 383.267 2.755 40 0 GFABRN CC(C)Oc1cccc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c1 ZINC000220099471 570381877 /nfs/dbraw/zinc/38/18/77/570381877.db2.gz FDTNPGCOKVIPGD-UHFFFAOYSA-N 0 0 390.505 2.599 40 0 GFABRN CC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000220307090 570384839 /nfs/dbraw/zinc/38/48/39/570384839.db2.gz CAOCHCJCPDKQAD-LBPRGKRZSA-N 0 0 378.425 2.822 40 0 GFABRN C[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220313345 570384868 /nfs/dbraw/zinc/38/48/68/570384868.db2.gz LIMHLBQPOVBIBD-CQSZACIVSA-N 0 0 396.459 2.868 40 0 GFABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000222438595 570410867 /nfs/dbraw/zinc/41/08/67/570410867.db2.gz HUDCGLGHDUNSJI-MRXNPFEDSA-N 0 0 382.460 2.820 40 0 GFABRN COc1ccc(N(CCCC(=O)NCCc2ccccc2)S(C)(=O)=O)cc1 ZINC000222597690 570416125 /nfs/dbraw/zinc/41/61/25/570416125.db2.gz PEOFNBCMMDQNKJ-UHFFFAOYSA-N 0 0 390.505 2.600 40 0 GFABRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-n1cnnc1 ZINC000222598621 570416190 /nfs/dbraw/zinc/41/61/90/570416190.db2.gz XCFVANWDXMEBMA-KKXDTOCCSA-N 0 0 379.493 2.992 40 0 GFABRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)n(C)c(=O)n3C)S1 ZINC000222608866 570416691 /nfs/dbraw/zinc/41/66/91/570416691.db2.gz LWIGXXWALRRPQK-UUWFMWQGSA-N 0 0 379.489 2.861 40 0 GFABRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)n(C)c(=O)n3C)S1 ZINC000222609017 570416781 /nfs/dbraw/zinc/41/67/81/570416781.db2.gz LWIGXXWALRRPQK-PJSAGSTRSA-N 0 0 379.489 2.861 40 0 GFABRN CC[C@H](NC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccc(OC)c(C)c1 ZINC000222860256 570429240 /nfs/dbraw/zinc/42/92/40/570429240.db2.gz MUGBZAYPCXYUAP-KRWDZBQOSA-N 0 0 382.526 2.633 40 0 GFABRN COC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1Cl ZINC000026880092 570429508 /nfs/dbraw/zinc/42/95/08/570429508.db2.gz XHGZMMNEEBJELK-UHFFFAOYSA-N 0 0 396.852 2.629 40 0 GFABRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000222918914 570431512 /nfs/dbraw/zinc/43/15/12/570431512.db2.gz RBFPMQTXPVPJOI-HUUCEWRRSA-N 0 0 376.478 2.727 40 0 GFABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(OC)cc1 ZINC000222966764 570433690 /nfs/dbraw/zinc/43/36/90/570433690.db2.gz HMPWPPIZJQCLBY-HXUWFJFHSA-N 0 0 384.476 2.936 40 0 GFABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000222993986 570435768 /nfs/dbraw/zinc/43/57/68/570435768.db2.gz MVFIDJPLQGKZBU-OALUTQOASA-N 0 0 379.489 2.886 40 0 GFABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1c(F)cccc1F ZINC000223215513 570450245 /nfs/dbraw/zinc/45/02/45/570450245.db2.gz CINPPQILAADNMP-NSHDSACASA-N 0 0 384.404 2.767 40 0 GFABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 ZINC000028188696 570451815 /nfs/dbraw/zinc/45/18/15/570451815.db2.gz KVLCCSHCCYNTIO-UHFFFAOYSA-N 0 0 392.462 2.577 40 0 GFABRN CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 ZINC000223291906 570456712 /nfs/dbraw/zinc/45/67/12/570456712.db2.gz DOGUGDHJYDNJPW-AWEZNQCLSA-N 0 0 392.477 2.887 40 0 GFABRN CCCNC(=O)CSc1nnc2c3cc(Br)ccc3[nH]c2n1 ZINC000035312629 570467525 /nfs/dbraw/zinc/46/75/25/570467525.db2.gz HHJGRBROXGCJSC-UHFFFAOYSA-N 0 0 380.271 2.887 40 0 GFABRN COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(C)=O)cc1 ZINC000035311152 570471096 /nfs/dbraw/zinc/47/10/96/570471096.db2.gz VJVOTZFKLQGNSZ-UHFFFAOYSA-N 0 0 383.433 2.604 40 0 GFABRN OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000223589957 570473178 /nfs/dbraw/zinc/47/31/78/570473178.db2.gz ATCYWAYTIUMSSZ-ROUUACIJSA-N 0 0 399.907 2.886 40 0 GFABRN CCc1ccccc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O ZINC000223630413 570475409 /nfs/dbraw/zinc/47/54/09/570475409.db2.gz IYOOZVLWFQZEKI-UHFFFAOYSA-N 0 0 378.469 2.513 40 0 GFABRN CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000006306003 570476512 /nfs/dbraw/zinc/47/65/12/570476512.db2.gz NYKXKSLIPIUFDW-UHFFFAOYSA-N 0 0 390.505 2.801 40 0 GFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1C ZINC000006479064 570481193 /nfs/dbraw/zinc/48/11/93/570481193.db2.gz QJIUMGZLFORRQK-UHFFFAOYSA-N 0 0 376.478 2.880 40 0 GFABRN CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)C[C@@H](OC(C)=O)[C@]21O ZINC000253489173 570483882 /nfs/dbraw/zinc/48/38/82/570483882.db2.gz DEXUKJJEUCWGLM-YEYKPMIPSA-N 0 0 386.444 2.683 40 0 GFABRN C[C@@H]1CN(C(=O)CNc2ccccc2C(=O)NCc2ccccc2)C[C@@H](C)O1 ZINC000006653347 570486248 /nfs/dbraw/zinc/48/62/48/570486248.db2.gz DGRXITACZCWSAU-IAGOWNOFSA-N 0 0 381.476 2.664 40 0 GFABRN CC(=O)c1cccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000223877557 570488329 /nfs/dbraw/zinc/48/83/29/570488329.db2.gz OIWRLNQDCLSVKE-OAHLLOKOSA-N 0 0 388.489 2.575 40 0 GFABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223886116 570489014 /nfs/dbraw/zinc/48/90/14/570489014.db2.gz MDRLJNRJSDMJHK-CQSZACIVSA-N 0 0 384.498 2.514 40 0 GFABRN 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CNC(=O)c1ccc(OC)c(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224786896 553058087 /nfs/dbraw/zinc/05/80/87/553058087.db2.gz HAPWJIYSDHHBIS-UHFFFAOYSA-N 0 0 382.869 2.529 40 0 GFABRN CSc1cccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000225079052 553058195 /nfs/dbraw/zinc/05/81/95/553058195.db2.gz GYNQTEKGDSOPHO-UHFFFAOYSA-N 0 0 376.459 2.863 40 0 GFABRN COc1ccccc1CNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000225312487 553059096 /nfs/dbraw/zinc/05/90/96/553059096.db2.gz LWWDZHXSBUTSGZ-UHFFFAOYSA-N 0 0 379.507 2.578 40 0 GFABRN CC(C)CSc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2)s1 ZINC000225778883 553060151 /nfs/dbraw/zinc/06/01/51/553060151.db2.gz CYGUFDSFRXCUKR-UHFFFAOYSA-N 0 0 386.524 2.910 40 0 GFABRN COCCNC(=S)Nc1nc(N2CCCC[C@@H]2C)cc(C(F)(F)F)n1 ZINC000225899482 553060731 /nfs/dbraw/zinc/06/07/31/553060731.db2.gz RJPJQPQITFXQKP-JTQLQIEISA-N 0 0 377.436 2.807 40 0 GFABRN CC(C)N1C(=O)C(=O)N(C(C)C)C1(NC(C)(C)C)c1nc(Cl)c(Cl)[nH]1 ZINC000255187843 553151866 /nfs/dbraw/zinc/15/18/66/553151866.db2.gz HCRBISFWZYIDDL-UHFFFAOYSA-N 0 0 390.315 2.703 40 0 GFABRN CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000514288648 560034243 /nfs/dbraw/zinc/03/42/43/560034243.db2.gz LJBBFFVIZYGILA-OCCSQVGLSA-N 0 0 383.395 2.879 40 0 biogenic,in-vitro GFABRN O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O)C1CCC1 ZINC000077262531 560046722 /nfs/dbraw/zinc/04/67/22/560046722.db2.gz SQCIGRLJHPPUDW-CMKODMSKSA-N 0 0 388.439 2.848 40 0 biogenic,in-vitro GFABRN O=C(NC[C@H]1Cn2c(-c3ccc4c(c3)OCO4)cnc2CO1)NC1CCCCC1 ZINC000096296354 560060235 /nfs/dbraw/zinc/06/02/35/560060235.db2.gz RZIOVNQQDGPHPG-INIZCTEOSA-N 0 0 398.463 2.810 40 0 biogenic,in-vitro GFABRN CC(C)NC(=O)N1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 ZINC000096111692 560061222 /nfs/dbraw/zinc/06/12/22/560061222.db2.gz STXAKAMTPHRWDX-WMZOPIPTSA-N 0 0 380.448 2.568 40 0 biogenic,in-vitro GFABRN CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC000072322158 560077291 /nfs/dbraw/zinc/07/72/91/560077291.db2.gz KZLANJFHGDCLTM-INIZCTEOSA-N 0 0 377.510 2.684 40 0 biogenic,in-vitro GFABRN COc1ccc(C(=O)N2CCN3C(=O)N([C@H](C)c4ccccc4)C(=O)[C@@H]3C2)cc1 ZINC000005433702 560201976 /nfs/dbraw/zinc/20/19/76/560201976.db2.gz GZJKTXKLCPLZMR-BEFAXECRSA-N 0 0 393.443 2.545 40 0 biogenic,in-vitro GFABRN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)C1 ZINC000000698848 570218331 /nfs/dbraw/zinc/21/83/31/570218331.db2.gz BGGICLLFAFKUGP-IRXDYDNUSA-N 0 0 390.480 2.550 40 0 GFABRN Cc1nccn1CC(=O)N1CCC[C@](O)(COc2cc(C)ccc2Cl)CC1 ZINC000585270953 570239588 /nfs/dbraw/zinc/23/95/88/570239588.db2.gz CSXZBHQHYRPYEX-HXUWFJFHSA-N 0 0 391.899 2.976 40 0 GFABRN Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 ZINC000585290772 570259411 /nfs/dbraw/zinc/25/94/11/570259411.db2.gz FBPQURFMPZJQCJ-DKRLNXSXSA-N 0 0 389.463 2.686 40 0 GFABRN O=C(C=Cc1c[nH]cn1)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 ZINC000585291864 570260779 /nfs/dbraw/zinc/26/07/79/570260779.db2.gz UNJZIKBOTJTDOG-OWOJBTEDSA-N 0 0 395.492 2.894 40 0 GFABRN O=C(NCc1cc(=O)n2nc(-c3cccnc3)cc2[nH]1)c1ccc2ncccc2c1 ZINC000100744368 570276270 /nfs/dbraw/zinc/27/62/70/570276270.db2.gz GWLUKGMAEGZLGD-UHFFFAOYSA-N 0 0 396.410 2.975 40 0 GFABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000216425867 570301309 /nfs/dbraw/zinc/30/13/09/570301309.db2.gz RJSPTLNEMJIXGR-KBPBESRZSA-N 0 0 394.468 2.866 40 0 GFABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(F)c2)c1 ZINC000022229772 570308407 /nfs/dbraw/zinc/30/84/07/570308407.db2.gz IWZIUMKCPXXSNK-KRWDZBQOSA-N 0 0 392.452 2.935 40 0 GFABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCCCN1CCOCC1 ZINC000022246106 570310477 /nfs/dbraw/zinc/31/04/77/570310477.db2.gz XGICUPLUVYKXSE-UHFFFAOYSA-N 0 0 378.473 2.786 40 0 GFABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCCCC1 ZINC000022248841 570310585 /nfs/dbraw/zinc/31/05/85/570310585.db2.gz DESAERKBSQITJN-UHFFFAOYSA-N 0 0 388.917 2.762 40 0 GFABRN COc1ccc(CNC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000113940768 570334958 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CCOc1cc(CN2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)ccc1O ZINC000019531857 210257948 /nfs/dbraw/zinc/25/79/48/210257948.db2.gz CWJRRDODXMJOPJ-UHFFFAOYSA-N 0 0 398.507 2.669 40 0 GFABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000020768482 230906299 /nfs/dbraw/zinc/90/62/99/230906299.db2.gz RDNXMHCWHQDFIM-UHFFFAOYSA-N 0 0 386.395 2.886 40 0 GFABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000408603717 231076507 /nfs/dbraw/zinc/07/65/07/231076507.db2.gz GWTYWGPTQHBROU-CYBMUJFWSA-N 0 0 396.896 2.674 40 0 GFABRN Cc1ccc(NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)c(C)c1 ZINC000408706096 231100341 /nfs/dbraw/zinc/10/03/41/231100341.db2.gz VEZGSHMJELPZKA-UHFFFAOYSA-N 0 0 376.478 2.712 40 0 GFABRN COC[C@H](C)NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000408627868 231087559 /nfs/dbraw/zinc/08/75/59/231087559.db2.gz QNYXJUXHPNUUSI-KRWDZBQOSA-N 0 0 390.505 2.650 40 0 GFABRN NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnccn2)C1 ZINC000019374301 210246529 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/nfs/dbraw/zinc/42/62/88/570426288.db2.gz AEMWKPGAIDUJOH-UHFFFAOYSA-N 0 0 388.445 2.766 40 0 GFABRN COC(=O)c1cc(S(=O)(=O)NCCCc2cccc(OC)c2)ccc1C ZINC000222952449 570432907 /nfs/dbraw/zinc/43/29/07/570432907.db2.gz UGIOKJSVDICEJM-UHFFFAOYSA-N 0 0 377.462 2.701 40 0 GFABRN Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)Nc1c(F)cccc1F ZINC000223054506 570440400 /nfs/dbraw/zinc/44/04/00/570440400.db2.gz WSGRXBVNZKYNPY-UHFFFAOYSA-N 0 0 396.415 2.731 40 0 GFABRN CC[C@H](NS(=O)(=O)c1nnc(NC(C)=O)s1)c1ccc2c(c1)CCCC2 ZINC000223139509 570446386 /nfs/dbraw/zinc/44/63/86/570446386.db2.gz DMHMSONNBNPRCU-HNNXBMFYSA-N 0 0 394.522 2.805 40 0 GFABRN COc1cc(CC[C@@H](NC(C)=O)c2cccc(O)c(=O)c2)cc(OC)c1OC ZINC000005663282 570450662 /nfs/dbraw/zinc/45/06/62/570450662.db2.gz UYCXOJZDDYJBJN-MRXNPFEDSA-N 0 0 387.432 2.588 40 0 GFABRN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 ZINC000028197874 570452148 /nfs/dbraw/zinc/45/21/48/570452148.db2.gz NGRAUJOTCSJNPL-UHFFFAOYSA-N 0 0 377.418 2.677 40 0 GFABRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1 ZINC000028201823 570452349 /nfs/dbraw/zinc/45/23/49/570452349.db2.gz RHSDMLRZGYZMMA-UHFFFAOYSA-N 0 0 398.488 2.528 40 0 GFABRN COc1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3F)n2)cc1 ZINC000223651487 570477044 /nfs/dbraw/zinc/47/70/44/570477044.db2.gz AYYBNQCMKNXZTF-UHFFFAOYSA-N 0 0 391.424 2.846 40 0 GFABRN O=c1c2cn[nH]c2nc(SC[C@@H](O)COc2ccccc2)n1-c1ccccc1 ZINC000006414306 570479514 /nfs/dbraw/zinc/47/95/14/570479514.db2.gz QBFTYIBQHFTLEB-HNNXBMFYSA-N 0 0 394.456 2.641 40 0 GFABRN CC[C@@H](NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccc(OC)c(C)c1 ZINC000223921591 570490199 /nfs/dbraw/zinc/49/01/99/570490199.db2.gz MXFBMXKPWWPBHO-FGTMMUONSA-N 0 0 384.476 2.912 40 0 GFABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000030755000 570494767 /nfs/dbraw/zinc/49/47/67/570494767.db2.gz XLLAZXGVCVDCJE-LBPRGKRZSA-N 0 0 398.431 2.617 40 0 GFABRN Cc1ccc(C)c(OCCNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000224052850 570496420 /nfs/dbraw/zinc/49/64/20/570496420.db2.gz APBOZRBWSVLKRR-UHFFFAOYSA-N 0 0 392.502 2.574 40 0 GFABRN Cc1cc(C)cc(OCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000224105639 570499115 /nfs/dbraw/zinc/49/91/15/570499115.db2.gz BGNBSQSWTFNXCP-UHFFFAOYSA-N 0 0 376.478 2.508 40 0 GFABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1OC ZINC000007304100 570502620 /nfs/dbraw/zinc/50/26/20/570502620.db2.gz JWJAJSXQXPRMLJ-UHFFFAOYSA-N 0 0 392.477 2.580 40 0 GFABRN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(N4CCCC4)cc3)ccc21 ZINC000007323941 570502922 /nfs/dbraw/zinc/50/29/22/570502922.db2.gz KHYPBNGIDGSNCO-UHFFFAOYSA-N 0 0 385.489 2.997 40 0 GFABRN O=C(NCCSC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000031236412 570503567 /nfs/dbraw/zinc/50/35/67/570503567.db2.gz SKCMADBMTIIFFF-INIZCTEOSA-N 0 0 396.578 2.879 40 0 GFABRN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCOCC3)[C@@H]2C)OCO4)c1O ZINC000031860766 570506634 /nfs/dbraw/zinc/50/66/34/570506634.db2.gz RBEXOAWNMJODKC-YIKPVDIZSA-N 0 0 399.443 2.948 40 0 GFABRN CC[C@H](C(=O)NCCOc1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224308983 570508217 /nfs/dbraw/zinc/50/82/17/570508217.db2.gz CLZRNHUGZGUSNF-GOSISDBHSA-N 0 0 394.468 2.566 40 0 GFABRN COCCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000224304233 570508353 /nfs/dbraw/zinc/50/83/53/570508353.db2.gz KUUKYAPZGWCWKW-UHFFFAOYSA-N 0 0 376.478 2.505 40 0 GFABRN CCCC[C@@H](CC)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000007608509 570510207 /nfs/dbraw/zinc/51/02/07/570510207.db2.gz LHMNLTHXKBZHJE-QGZVFWFLSA-N 0 0 396.553 2.962 40 0 GFABRN CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(OC)c(OC)c1 ZINC000000904669 570515398 /nfs/dbraw/zinc/51/53/98/570515398.db2.gz VXFFVRMVTSTHBE-UHFFFAOYSA-N 0 0 376.482 2.697 40 0 GFABRN COc1ccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2C)cc1OC ZINC000000904680 570515625 /nfs/dbraw/zinc/51/56/25/570515625.db2.gz OUMPQONHLNRVME-UHFFFAOYSA-N 0 0 390.509 2.850 40 0 GFABRN CCCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1cccc(C)n1 ZINC000575404216 570520589 /nfs/dbraw/zinc/52/05/89/570520589.db2.gz LZLUSJNHYHCBQM-SFHVURJKSA-N 0 0 396.553 2.908 40 0 GFABRN Cc1cccc(CO[C@H]2CCOC3(CN(C(=O)[C@H]4Cc5ccccc5O4)C3)C2)n1 ZINC000575404569 570520811 /nfs/dbraw/zinc/52/08/11/570520811.db2.gz OJNRSQFUNQLKTG-PZJWPPBQSA-N 0 0 394.471 2.670 40 0 GFABRN Cc1c2ccccc2oc1C(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1 ZINC000575406045 570521842 /nfs/dbraw/zinc/52/18/42/570521842.db2.gz VTBJVMAOMHCPSL-QGZVFWFLSA-N 0 0 394.431 2.689 40 0 GFABRN C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)cc1 ZINC000028198777 570527325 /nfs/dbraw/zinc/52/73/25/570527325.db2.gz XOVYMIHQWUUHCA-GJZGRUSLSA-N 0 0 378.469 2.630 40 0 GFABRN CCc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000224802451 570531255 /nfs/dbraw/zinc/53/12/55/570531255.db2.gz YPZZFGIPGXQZFE-UHFFFAOYSA-N 0 0 393.461 2.635 40 0 GFABRN Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c2cc1C ZINC000008584100 570535019 /nfs/dbraw/zinc/53/50/19/570535019.db2.gz AMFRTVINHBMZRK-SFHVURJKSA-N 0 0 392.459 2.756 40 0 GFABRN COC(=O)c1cc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1Cl ZINC000224901923 570537291 /nfs/dbraw/zinc/53/72/91/570537291.db2.gz LNEYNLHAOSZTNH-UHFFFAOYSA-N 0 0 396.852 2.910 40 0 GFABRN CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000224923240 570538212 /nfs/dbraw/zinc/53/82/12/570538212.db2.gz VTOPAPKELVHGIY-UHFFFAOYSA-N 0 0 388.489 2.863 40 0 GFABRN COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000225125931 570550590 /nfs/dbraw/zinc/55/05/90/570550590.db2.gz FCDVXFQELLQQQA-INIZCTEOSA-N 0 0 390.505 2.955 40 0 GFABRN CCCn1c2ccccc2nc1N1CCN(CC(=O)NCc2cccs2)CC1 ZINC000036351044 570560786 /nfs/dbraw/zinc/56/07/86/570560786.db2.gz XVOYEJOEWNJFFY-UHFFFAOYSA-N 0 0 397.548 2.946 40 0 GFABRN CNc1nc(N2CCN(c3ccccc3OC)CC2)nc2c1C(=O)C[C@@H](C)C2 ZINC000010157645 570566381 /nfs/dbraw/zinc/56/63/81/570566381.db2.gz ZVEKIUZPHVOTAT-AWEZNQCLSA-N 0 0 381.480 2.619 40 0 GFABRN COc1cccc(CCc2nnc(NC(=O)c3cn4cccnc4n3)s2)c1 ZINC000036752158 570569656 /nfs/dbraw/zinc/56/96/56/570569656.db2.gz NTHHQUFSHSPUBQ-UHFFFAOYSA-N 0 0 380.433 2.627 40 0 GFABRN CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(S(C)(=O)=O)cc1 ZINC000225403950 570570092 /nfs/dbraw/zinc/57/00/92/570570092.db2.gz KOSQPHAJHWUXBJ-INIZCTEOSA-N 0 0 375.446 2.742 40 0 GFABRN COc1ccccc1[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225477157 570578457 /nfs/dbraw/zinc/57/84/57/570578457.db2.gz VKZMSPJFFSBLAH-SNVBAGLBSA-N 0 0 398.510 2.571 40 0 GFABRN COc1ccccc1[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000225477192 570578551 /nfs/dbraw/zinc/57/85/51/570578551.db2.gz VKZMSPJFFSBLAH-JTQLQIEISA-N 0 0 398.510 2.571 40 0 GFABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(OC)cc3)cc2c1 ZINC000001366876 570579708 /nfs/dbraw/zinc/57/97/08/570579708.db2.gz CVHAXWCBVIANLI-UHFFFAOYSA-N 0 0 396.443 2.570 40 0 GFABRN COc1cccc(C(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c1 ZINC000038753713 570581844 /nfs/dbraw/zinc/58/18/44/570581844.db2.gz XJYDYSXJBZNJBL-UHFFFAOYSA-N 0 0 378.450 2.643 40 0 GFABRN O=C(NCCN1CCOCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000038753863 570581916 /nfs/dbraw/zinc/58/19/16/570581916.db2.gz DBZXWNWSVOESSI-UHFFFAOYSA-N 0 0 386.517 2.920 40 0 GFABRN CCN(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000039985844 570594969 /nfs/dbraw/zinc/59/49/69/570594969.db2.gz LUQAQYVMAAVQIH-UHFFFAOYSA-N 0 0 389.477 2.603 40 0 GFABRN O=C(Cn1nnc2ccccc21)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000012088553 570606678 /nfs/dbraw/zinc/60/66/78/570606678.db2.gz ZHROKGYQPKMFPN-KRWDZBQOSA-N 0 0 399.458 2.690 40 0 GFABRN CC(=O)N1CCN(c2c3c(nc4c(-c5cccs5)c(C)nn42)CCC3)CC1 ZINC000012113396 570609368 /nfs/dbraw/zinc/60/93/68/570609368.db2.gz JAMGTJCBOYPGAO-UHFFFAOYSA-N 0 0 381.505 2.923 40 0 GFABRN COc1ccccc1OCCN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1 ZINC000012116963 570611368 /nfs/dbraw/zinc/61/13/68/570611368.db2.gz YOVGCTWCWIVNJA-UHFFFAOYSA-N 0 0 383.452 2.587 40 0 GFABRN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012116516 570611733 /nfs/dbraw/zinc/61/17/33/570611733.db2.gz QWGIDNWKISSCPD-AWEZNQCLSA-N 0 0 381.432 2.752 40 0 GFABRN CCn1c2ccccc2n2c(=O)n(CC(=O)N3CCC[C@H]4CCCC[C@H]43)nc12 ZINC000012117708 570611933 /nfs/dbraw/zinc/61/19/33/570611933.db2.gz MBWKEOZHQMXXCX-HZPDHXFCSA-N 0 0 381.480 2.652 40 0 GFABRN O=S(=O)(c1cc(Br)c2cccc3c2c1CC3)N1CCOCC1 ZINC000041105694 570615566 /nfs/dbraw/zinc/61/55/66/570615566.db2.gz SRIBEBSHCLOLMN-UHFFFAOYSA-N 0 0 382.279 2.722 40 0 GFABRN CCOC(=O)[C@]1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCCN(C(C)=O)C1 ZINC000012157273 570618631 /nfs/dbraw/zinc/61/86/31/570618631.db2.gz PVULUUZFHBISCV-XLIONFOSSA-N 0 0 376.428 2.901 40 0 GFABRN COc1ccccc1OCc1nnc(SCC(=O)N2CCC[C@H](C)C2)n1C ZINC000004161312 570619704 /nfs/dbraw/zinc/61/97/04/570619704.db2.gz GGQVMBHUEHUBMZ-AWEZNQCLSA-N 0 0 390.509 2.753 40 0 GFABRN Cc1cnc(-c2nc(C3CCN(C(=O)Cc4ccccc4F)CC3)no2)cn1 ZINC000012187426 570621400 /nfs/dbraw/zinc/62/14/00/570621400.db2.gz ZTBLVEDQSAQJMB-UHFFFAOYSA-N 0 0 381.411 2.923 40 0 GFABRN CCCOc1ccc(-c2nnn(CC(=O)Nc3cccc(C(=O)OC)c3)n2)cc1 ZINC000004169420 570621462 /nfs/dbraw/zinc/62/14/62/570621462.db2.gz PJYMOQPCYMWTKT-UHFFFAOYSA-N 0 0 395.419 2.554 40 0 GFABRN Cc1onc(-c2ccncc2)c1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000012203426 570625684 /nfs/dbraw/zinc/62/56/84/570625684.db2.gz DZGONAVQLVSSLB-UHFFFAOYSA-N 0 0 392.415 2.770 40 0 GFABRN CCc1ccc(NC(=O)C[S@](=O)CC(=O)N[C@@H](C)CCc2ccco2)cc1 ZINC000004355413 570627448 /nfs/dbraw/zinc/62/74/48/570627448.db2.gz DRVPLLZXUGYCFZ-QZXCRCNTSA-N 0 0 390.505 2.667 40 0 GFABRN O=S(=O)(c1ccc(CNC(=S)Nc2ccccc2)cc1)N1CCCC1 ZINC000044192528 570632704 /nfs/dbraw/zinc/63/27/04/570632704.db2.gz RULGHTUNEOCOIZ-UHFFFAOYSA-N 0 0 375.519 2.958 40 0 GFABRN Cc1nc(SCCNC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)n[nH]1 ZINC000225912699 570632711 /nfs/dbraw/zinc/63/27/11/570632711.db2.gz BGSQXANPIBPDPD-UHFFFAOYSA-N 0 0 383.481 2.786 40 0 GFABRN CCOC(=O)COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000225927524 570634008 /nfs/dbraw/zinc/63/40/08/570634008.db2.gz ZEZPAHHMLFJHHB-UHFFFAOYSA-N 0 0 378.425 2.624 40 0 GFABRN C[C@H](CCc1ccccc1)NC(=O)C[C@H](NS(C)(=O)=O)c1ccc(F)cc1 ZINC000225947876 570635549 /nfs/dbraw/zinc/63/55/49/570635549.db2.gz JKMLBATYEBYWCH-BEFAXECRSA-N 0 0 392.496 2.944 40 0 GFABRN COCCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccoc1C ZINC000004860827 570640593 /nfs/dbraw/zinc/64/05/93/570640593.db2.gz RMXSWEWHNLLBEO-UHFFFAOYSA-N 0 0 378.498 2.988 40 0 GFABRN CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)Oc2ccccc21 ZINC000044902325 570640826 /nfs/dbraw/zinc/64/08/26/570640826.db2.gz MSYORMAEYGGTKZ-SCLBCKFNSA-N 0 0 392.452 2.620 40 0 GFABRN COC(=O)[C@]1(C)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000004885759 570642675 /nfs/dbraw/zinc/64/26/75/570642675.db2.gz JWHVOBLPPCZCFU-ISJRUSPKSA-N 0 0 392.455 2.685 40 0 GFABRN COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000004888740 570643689 /nfs/dbraw/zinc/64/36/89/570643689.db2.gz CMEYIZXWOWHHMX-UHFFFAOYSA-N 0 0 388.489 2.587 40 0 GFABRN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 ZINC000044933564 570643807 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40 0 GFABRN CCCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)C1 ZINC000072369609 222241508 /nfs/dbraw/zinc/24/15/08/222241508.db2.gz MEJFEXXCGVOCCB-KRWDZBQOSA-N 0 0 399.539 2.919 40 0 GFABRN Cc1ncsc1C(=O)N1CC[C@@H](c2cc(-c3cnc(N)nc3)cc(C)n2)C1 ZINC000072374669 222242687 /nfs/dbraw/zinc/24/26/87/222242687.db2.gz NVEYYAHQBTYMIW-CYBMUJFWSA-N 0 0 380.477 2.824 40 0 GFABRN CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Oc2ccc(F)cc2)n1 ZINC000072384132 222246474 /nfs/dbraw/zinc/24/64/74/222246474.db2.gz JFHFJNLAHIVHRN-QGZVFWFLSA-N 0 0 386.427 2.906 40 0 GFABRN Cc1nnnn1-c1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 ZINC000072391802 222248233 /nfs/dbraw/zinc/24/82/33/222248233.db2.gz URCRXHAGJINJIN-UHFFFAOYSA-N 0 0 382.855 2.695 40 0 GFABRN COc1ccc(CN2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1OC ZINC000072395810 222252206 /nfs/dbraw/zinc/25/22/06/222252206.db2.gz NCDMURTWNXOHDJ-OFNKIYASSA-N 0 0 394.471 2.863 40 0 GFABRN Cc1ccc(CN2CCOC[C@@]3(CN(c4ccc(C)s4)C(=O)CO3)C2)o1 ZINC000096051463 222375580 /nfs/dbraw/zinc/37/55/80/222375580.db2.gz OTYCLOQBBGWQPB-IBGZPJMESA-N 0 0 376.478 2.592 40 0 GFABRN COCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC(C)C)c1ccccc1O2 ZINC000096053548 222375792 /nfs/dbraw/zinc/37/57/92/222375792.db2.gz ZYSHBNCJRWIPDH-QGZVFWFLSA-N 0 0 388.508 2.723 40 0 GFABRN Cc1ccc(CN2CCCn3c(=O)cc(CNC(=O)c4ccsc4)nc3C2)o1 ZINC000096059650 222377591 /nfs/dbraw/zinc/37/75/91/222377591.db2.gz REUDJVWUXKJJFG-UHFFFAOYSA-N 0 0 398.488 2.542 40 0 GFABRN COC(=O)c1ccc2[nH]c(CO[C@H]3CN(C(=O)c4ccccc4)C[C@H]3F)nc2c1 ZINC000096112108 222381373 /nfs/dbraw/zinc/38/13/73/222381373.db2.gz ABZZZSVUBIZODR-QAPCUYQASA-N 0 0 397.406 2.729 40 0 biogenic,in-vitro GFABRN CC(=O)Nc1ccc(CN2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cc1 ZINC000096112150 222381644 /nfs/dbraw/zinc/38/16/44/222381644.db2.gz QIELWXWKCXEVGB-AEFFLSMTSA-N 0 0 383.427 2.655 40 0 biogenic,in-vitro GFABRN CC(C)NC(=O)N1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 ZINC000096145427 222390295 /nfs/dbraw/zinc/39/02/95/222390295.db2.gz VYDYQFFGDQMYRW-NVXWUHKLSA-N 0 0 399.944 2.684 40 0 GFABRN COc1ccc(N2C[C@@]3(CCN(C(=O)COc4ccccc4)C3)CC2=O)cc1 ZINC000096238981 222401050 /nfs/dbraw/zinc/40/10/50/222401050.db2.gz MLZZPWUPVKJCPD-QFIPXVFZSA-N 0 0 380.444 2.730 40 0 GFABRN COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc(C(=O)[O-])cc2)C3)cc1 ZINC000096296285 222410683 /nfs/dbraw/zinc/41/06/83/222410683.db2.gz JNJXJIWRZZQURI-IBGZPJMESA-N 0 0 393.443 2.946 40 0 biogenic,in-vitro GFABRN CCOc1cccc(CNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 ZINC000113956978 222521017 /nfs/dbraw/zinc/52/10/17/222521017.db2.gz GZZCVLGTUVNTJS-AWEZNQCLSA-N 0 0 394.468 2.695 40 0 GFABRN Cc1ccc(CNS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408592777 534075672 /nfs/dbraw/zinc/07/56/72/534075672.db2.gz OPRWXUQXTJDBBY-INIZCTEOSA-N 0 0 390.505 2.765 40 0 GFABRN Cc1ccc(C)c(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)c1 ZINC000004848200 518188544 /nfs/dbraw/zinc/18/85/44/518188544.db2.gz OHWJRVSEIJLBEY-UHFFFAOYSA-N 0 0 396.491 2.975 40 0 GFABRN O=C(NCc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000192680355 534660882 /nfs/dbraw/zinc/66/08/82/534660882.db2.gz VBTBAWHTUBVITG-UHFFFAOYSA-N 0 0 395.390 2.604 40 0 GFABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408623685 528222952 /nfs/dbraw/zinc/22/29/52/528222952.db2.gz PJDXNJYORJJPDG-UHFFFAOYSA-N 0 0 392.477 2.743 40 0 GFABRN CCOc1cc([C@@H]2CC(=O)N=C3N=CNN32)ccc1OCCOc1ccccc1 ZINC000409378605 528334213 /nfs/dbraw/zinc/33/42/13/528334213.db2.gz QINGNVQKVOOTSR-KRWDZBQOSA-N 0 0 394.431 2.719 40 0 GFABRN CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)ccc1OC ZINC000408698318 528425334 /nfs/dbraw/zinc/42/53/34/528425334.db2.gz PCRNWHUPQJESNV-UHFFFAOYSA-N 0 0 392.433 2.616 40 0 GFABRN CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000010448870 528452054 /nfs/dbraw/zinc/45/20/54/528452054.db2.gz AGHQZSDKTSXXBI-AWEZNQCLSA-N 0 0 394.468 2.695 40 0 GFABRN CCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000409137197 528503893 /nfs/dbraw/zinc/50/38/93/528503893.db2.gz UNZAKCBVLWHDEW-UHFFFAOYSA-N 0 0 376.478 2.807 40 0 GFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1C ZINC000408601209 528583328 /nfs/dbraw/zinc/58/33/28/528583328.db2.gz AMKIXEJEXVYHHE-CVEARBPZSA-N 0 0 390.505 2.938 40 0 GFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1C ZINC000408622989 528583711 /nfs/dbraw/zinc/58/37/11/528583711.db2.gz OLYBQCCIEBYBBZ-ZDUSSCGKSA-N 0 0 380.441 2.838 40 0 GFABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2OCC)cc1 ZINC000408602259 528585161 /nfs/dbraw/zinc/58/51/61/528585161.db2.gz IMMUGBTYRLRACM-AWEZNQCLSA-N 0 0 392.477 2.790 40 0 GFABRN CC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C ZINC000409378093 529363742 /nfs/dbraw/zinc/36/37/42/529363742.db2.gz NGUJYXKXIZZRBO-OAHLLOKOSA-N 0 0 382.526 2.900 40 0 GFABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOc3ccccc32)cc1 ZINC000222872017 535180014 /nfs/dbraw/zinc/18/00/14/535180014.db2.gz OUARLUIYHSOKKE-UHFFFAOYSA-N 0 0 388.489 2.733 40 0 GFABRN C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1cccc(Br)c1 ZINC000005612267 551098357 /nfs/dbraw/zinc/09/83/57/551098357.db2.gz BHFFLYJYELUQRN-PWSUYJOCSA-N 0 0 378.338 2.843 40 0 GFABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000019689629 551114415 /nfs/dbraw/zinc/11/44/15/551114415.db2.gz FNLQEZSJAPVXGF-OAHLLOKOSA-N 0 0 380.901 2.960 40 0 GFABRN Cn1c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3Cl)cc2oc1=O ZINC000019936532 551114913 /nfs/dbraw/zinc/11/49/13/551114913.db2.gz VWFQHVOJAFFJIC-UHFFFAOYSA-N 0 0 387.244 2.917 40 0 GFABRN CNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022276169 551117468 /nfs/dbraw/zinc/11/74/68/551117468.db2.gz STEKBAVTAUZZCS-UHFFFAOYSA-N 0 0 397.294 2.699 40 0 GFABRN Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(F)cc1)S(C)(=O)=O ZINC000022510563 551117911 /nfs/dbraw/zinc/11/79/11/551117911.db2.gz DGSBBGPARUVRSF-UHFFFAOYSA-N 0 0 384.860 2.870 40 0 GFABRN CCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N2C(=O)CSC2=O)cc1 ZINC000028283992 551124221 /nfs/dbraw/zinc/12/42/21/551124221.db2.gz FFVIJWHISBSCPU-HUUCEWRRSA-N 0 0 382.507 2.534 40 0 GFABRN Cc1cc(Cl)ccc1NC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000033620729 551134069 /nfs/dbraw/zinc/13/40/69/551134069.db2.gz NJFVLOYUGNFFNN-UHFFFAOYSA-N 0 0 380.231 2.995 40 0 GFABRN CCOC(=O)[C@]1(N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218057738 553053339 /nfs/dbraw/zinc/05/33/39/553053339.db2.gz VUUITNNDAYGDSQ-BQFCYCMXSA-N 0 0 379.865 2.540 40 0 GFABRN COc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000223075918 553055662 /nfs/dbraw/zinc/05/56/62/553055662.db2.gz QJUGKRMVENSCAH-UHFFFAOYSA-N 0 0 382.869 2.749 40 0 GFABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SCC(=O)OC)s1 ZINC000224001083 553057458 /nfs/dbraw/zinc/05/74/58/553057458.db2.gz RAOJRVZBKUXWQX-LBPRGKRZSA-N 0 0 381.479 2.908 40 0 GFABRN C[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000225343054 553058975 /nfs/dbraw/zinc/05/89/75/553058975.db2.gz IHDFSTXGARMKPH-CQSZACIVSA-N 0 0 380.897 2.979 40 0 GFABRN CCSc1nnc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)s1 ZINC000225219265 553059113 /nfs/dbraw/zinc/05/91/13/553059113.db2.gz BXXVTGFVBNOYKF-UHFFFAOYSA-N 0 0 386.524 2.607 40 0 GFABRN CC(C)Sc1nnc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)s1 ZINC000225676793 553059976 /nfs/dbraw/zinc/05/99/76/553059976.db2.gz KSCCSJDQNDBSET-UHFFFAOYSA-N 0 0 386.524 2.687 40 0 GFABRN CCCSc1nnc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)s1 ZINC000225780255 553060337 /nfs/dbraw/zinc/06/03/37/553060337.db2.gz GFTOGQHLUGENRZ-UHFFFAOYSA-N 0 0 386.524 2.972 40 0 GFABRN COc1ccc(N([C@H](C)C(=O)N[C@H](C)C(C)C)S(C)(=O)=O)cc1Cl ZINC000260903953 553153274 /nfs/dbraw/zinc/15/32/74/553153274.db2.gz YMAOKZJPBAEJAG-VXGBXAGGSA-N 0 0 376.906 2.664 40 0 GFABRN COc1ccccc1C(=O)N1CCN2C(=O)N(Cc3ccc(C)cc3)C[C@H]2C1 ZINC000096269094 560054060 /nfs/dbraw/zinc/05/40/60/560054060.db2.gz FDALJYISANWANY-GOSISDBHSA-N 0 0 379.460 2.766 40 0 biogenic,in-vitro GFABRN CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1C ZINC000575426312 564699597 /nfs/dbraw/zinc/69/95/97/564699597.db2.gz QXPLXKJKLLWUIR-OCCSQVGLSA-N 0 0 379.931 2.625 40 0 GFABRN Cc1cccc(S(=O)(=O)N2CC3(C2)C[C@@H](Oc2cccnc2)CS3)c1 ZINC000585103622 565104623 /nfs/dbraw/zinc/10/46/23/565104623.db2.gz BZNTXIMJGZCQFJ-MRXNPFEDSA-N 0 0 376.503 2.718 40 0 GFABRN Cc1ccc([C@@]2(O)CCN(C(=O)c3cc(C)nc(N4CCCCC4)n3)C2)cc1 ZINC000019718932 570210162 /nfs/dbraw/zinc/21/01/62/570210162.db2.gz GFMQBVRGGQWKRB-JOCHJYFZSA-N 0 0 380.492 2.817 40 0 GFABRN OCCCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329009729 570211750 /nfs/dbraw/zinc/21/17/50/570211750.db2.gz LYHWMZGBBPWHKG-UHFFFAOYSA-N 0 0 396.291 2.776 40 0 GFABRN Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3C(=O)Cc3c(C)noc3C)n2n1 ZINC000019743568 570213288 /nfs/dbraw/zinc/21/32/88/570213288.db2.gz PDUXXCMMIKIWJK-SFHVURJKSA-N 0 0 396.495 2.610 40 0 GFABRN Nc1nc(C2CCN(C(=O)c3cccnc3)CC2)ccc1C(=O)NC1CCCC1 ZINC000019753954 570215866 /nfs/dbraw/zinc/21/58/66/570215866.db2.gz KYGHBBCNNBLFKF-UHFFFAOYSA-N 0 0 393.491 2.751 40 0 GFABRN CC(C)[C@H](CO)Nc1nc(Nc2cc(F)ccc2F)cc(C(F)(F)F)n1 ZINC000329068598 570216356 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