smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccs1 ZINC000160380869 551579833 /nfs/dbraw/zinc/57/98/33/551579833.db2.gz RQNXLSYYVLUESW-CYBMUJFWSA-N -1 3 375.418 2.750 20 70 GFIDHM CCCCN(Cc1cc([O-])ccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000160784816 551585499 /nfs/dbraw/zinc/58/54/99/551585499.db2.gz QQARPPGLZOQJOL-ZDUSSCGKSA-N -1 3 376.316 2.944 20 70 GFIDHM C[C@@]1(c2cccc(C(=O)Nc3cccc(Br)c3)c2)NC(=O)[N-]C1=O ZINC000161213101 551591729 /nfs/dbraw/zinc/59/17/29/551591729.db2.gz GOCIEKFMTJUXPZ-KRWDZBQOSA-N -1 3 388.221 2.756 20 70 GFIDHM O=S(=O)([N-]CCNc1nccc(C(F)(F)F)n1)c1cccc(Cl)c1F ZINC000159596890 551567279 /nfs/dbraw/zinc/56/72/79/551567279.db2.gz NVYPWMACWVOAJD-UHFFFAOYSA-N -1 3 398.769 2.678 20 70 GFIDHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)s2)s1 ZINC000159639697 551568409 /nfs/dbraw/zinc/56/84/09/551568409.db2.gz NELZIBUSSPVFNA-NSHDSACASA-N -1 3 386.564 2.706 20 70 GFIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000160335234 551579349 /nfs/dbraw/zinc/57/93/49/551579349.db2.gz CFHSNTKDCOYNAQ-NSHDSACASA-N -1 3 390.221 2.907 20 70 GFIDHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000159994738 551574326 /nfs/dbraw/zinc/57/43/26/551574326.db2.gz BNOAQYQXOYGDCB-LBPRGKRZSA-N -1 3 376.906 2.697 20 70 GFIDHM Cc1ccc(I)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000160858988 551586433 /nfs/dbraw/zinc/58/64/33/551586433.db2.gz HYPUVESBRHZLHK-UHFFFAOYSA-N -1 3 396.110 2.989 20 70 GFIDHM Cc1ccc(I)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000160858988 551586435 /nfs/dbraw/zinc/58/64/35/551586435.db2.gz HYPUVESBRHZLHK-UHFFFAOYSA-N -1 3 396.110 2.989 20 70 GFIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000160306253 551578774 /nfs/dbraw/zinc/57/87/74/551578774.db2.gz OJURHVWAPBPDRD-GFCCVEGCSA-N -1 3 386.695 2.550 20 70 GFIDHM CC(C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000161006546 551588672 /nfs/dbraw/zinc/58/86/72/551588672.db2.gz JUJARPFYRWTSDD-UHFFFAOYSA-N -1 3 376.194 2.517 20 70 GFIDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000161007484 551588909 /nfs/dbraw/zinc/58/89/09/551588909.db2.gz YEGQENYJMXHOPN-UHFFFAOYSA-N -1 3 381.278 2.970 20 70 GFIDHM COc1ccc(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)c(Cl)c1Cl ZINC000161076675 551590300 /nfs/dbraw/zinc/59/03/00/551590300.db2.gz SDTAEEAQQZNXMB-GFCCVEGCSA-N -1 3 390.288 2.884 20 70 GFIDHM CCOc1ncccc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000159573256 551566818 /nfs/dbraw/zinc/56/68/18/551566818.db2.gz VHSKPZLQPLLMNA-UHFFFAOYSA-N -1 3 380.242 2.948 20 70 GFIDHM CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000159760733 551570353 /nfs/dbraw/zinc/57/03/53/551570353.db2.gz BWWRTZLDKYXSPW-ZDUSSCGKSA-N -1 3 386.290 2.649 20 70 GFIDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)COc2ccc(F)cc2)c(Cl)cc1F ZINC000159964644 551573921 /nfs/dbraw/zinc/57/39/21/551573921.db2.gz DYZDMOGGGXQZQR-GFCCVEGCSA-N -1 3 391.823 2.645 20 70 GFIDHM COc1cc(Br)c(S(=O)(=O)[N-]C2(C)CCOCC2)cc1Cl ZINC000161021531 551589121 /nfs/dbraw/zinc/58/91/21/551589121.db2.gz FNTFPZNJKYTAOD-UHFFFAOYSA-N -1 3 398.706 2.959 20 70 GFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O)c1nccs1 ZINC000159922533 551573178 /nfs/dbraw/zinc/57/31/78/551573178.db2.gz IGMPHJMUJPIZPZ-XHDPSFHLSA-N -1 3 379.507 2.870 20 70 GFIDHM CN(CC(F)(F)F)C(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000160961473 551587880 /nfs/dbraw/zinc/58/78/80/551587880.db2.gz CGKKKVBMKDYTTN-UHFFFAOYSA-N -1 3 398.453 2.922 20 70 GFIDHM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1ccc(F)cc1Br ZINC000159537308 551566361 /nfs/dbraw/zinc/56/63/61/551566361.db2.gz ZYLVSQYHGOOPRI-CYBMUJFWSA-N -1 3 380.279 2.808 20 70 GFIDHM CN(Cc1ccc(Cl)s1)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000159522421 551566467 /nfs/dbraw/zinc/56/64/67/551566467.db2.gz ZBZJOIBEFZBQFJ-KRWDZBQOSA-N -1 3 377.853 2.728 20 70 GFIDHM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c1 ZINC000159685485 551569302 /nfs/dbraw/zinc/56/93/02/551569302.db2.gz ZAYIQURZBUWPRC-UHFFFAOYSA-N -1 3 382.507 2.655 20 70 GFIDHM O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000159773357 551571094 /nfs/dbraw/zinc/57/10/94/551571094.db2.gz JVLOSYDCPDHILO-QZTJIDSGSA-N -1 3 399.244 2.679 20 70 GFIDHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000160573312 551582970 /nfs/dbraw/zinc/58/29/70/551582970.db2.gz SRQDHBGYABPDPI-VIFPVBQESA-N -1 3 399.713 2.862 20 70 GFIDHM O=S(=O)([N-]C[C@@H](O)COc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000159981765 551573837 /nfs/dbraw/zinc/57/38/37/551573837.db2.gz PYMCHJMRZIIEEX-GFCCVEGCSA-N -1 3 394.251 2.851 20 70 GFIDHM CCCCN(Cc1cc([O-])ccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000160784682 551585277 /nfs/dbraw/zinc/58/52/77/551585277.db2.gz QQARPPGLZOQJOL-CYBMUJFWSA-N -1 3 376.316 2.944 20 70 GFIDHM C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000160946621 551588002 /nfs/dbraw/zinc/58/80/02/551588002.db2.gz AXMBTEXHHZNHIT-LBPRGKRZSA-N -1 3 386.926 2.675 20 70 GFIDHM C[C@@H](Cc1ccccc1Cl)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000161006170 551588556 /nfs/dbraw/zinc/58/85/56/551588556.db2.gz XWTLHJDGZXXOPT-LBPRGKRZSA-N -1 3 386.926 2.675 20 70 GFIDHM O=S(=O)([N-]C[C@H](O)Cc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000161058307 551589721 /nfs/dbraw/zinc/58/97/21/551589721.db2.gz JJBIZBZYTVYFAN-CYBMUJFWSA-N -1 3 377.359 2.726 20 70 GFIDHM COc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000159468074 551565796 /nfs/dbraw/zinc/56/57/96/551565796.db2.gz XZQPYYUTROPQFC-CQSZACIVSA-N -1 3 375.368 2.726 20 70 GFIDHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160234301 551577926 /nfs/dbraw/zinc/57/79/26/551577926.db2.gz QKPSRFRUUQIMDV-SMDDNHRTSA-N -1 3 382.482 2.748 20 70 GFIDHM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000160273677 551578380 /nfs/dbraw/zinc/57/83/80/551578380.db2.gz WCRNYTOOKQKKHW-UHFFFAOYSA-N -1 3 391.276 2.993 20 70 GFIDHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000160888469 551586979 /nfs/dbraw/zinc/58/69/79/551586979.db2.gz QUSZLUKMAVNLIT-CYBMUJFWSA-N -1 3 382.507 2.979 20 70 GFIDHM CCc1ccc(CC)c(NC(=O)NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000159459247 551565180 /nfs/dbraw/zinc/56/51/80/551565180.db2.gz FWNFNLYDKXZRHL-UHFFFAOYSA-N -1 3 381.523 2.973 20 70 GFIDHM O=C(NCc1ccc([O-])c(Br)c1)NC[C@@H]1Cc2ccccc2O1 ZINC000159930073 551573087 /nfs/dbraw/zinc/57/30/87/551573087.db2.gz ORQGKMSBIUTMNI-ZDUSSCGKSA-N -1 3 377.238 2.958 20 70 GFIDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)c1nccs1 ZINC000159976237 551573824 /nfs/dbraw/zinc/57/38/24/551573824.db2.gz SVVOYBBSHKNWGD-GFCCVEGCSA-N -1 3 388.536 2.593 20 70 GFIDHM O=S(=O)([N-]CC1(O)CCCCCC1)c1cc(F)ccc1Br ZINC000160975551 551588732 /nfs/dbraw/zinc/58/87/32/551588732.db2.gz CYAATYQGBDCJSV-UHFFFAOYSA-N -1 3 380.279 2.952 20 70 GFIDHM O=C(CCS(=O)(=O)[N-]Cc1nc(C2CC2)cs1)OCc1ccccc1 ZINC000161095972 551589966 /nfs/dbraw/zinc/58/99/66/551589966.db2.gz HZUZPPMABDMFFU-UHFFFAOYSA-N -1 3 380.491 2.573 20 70 GFIDHM CN(Cc1ccc(Cl)s1)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000159522578 551566278 /nfs/dbraw/zinc/56/62/78/551566278.db2.gz ZBZJOIBEFZBQFJ-QGZVFWFLSA-N -1 3 377.853 2.728 20 70 GFIDHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCC1 ZINC000159761459 551570531 /nfs/dbraw/zinc/57/05/31/551570531.db2.gz LQQNXYVIOARATO-CQSZACIVSA-N -1 3 398.937 2.914 20 70 GFIDHM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1cc(Br)ccc1Cl ZINC000161357816 551593328 /nfs/dbraw/zinc/59/33/28/551593328.db2.gz MFDNHVNNVBQJKH-HOMQSWHASA-N -1 3 382.707 2.932 20 70 GFIDHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](OC)c1ccccc1Cl ZINC000218338399 553053446 /nfs/dbraw/zinc/05/34/46/553053446.db2.gz AUDLIPYLKVYLMI-LBPRGKRZSA-N -1 3 389.882 2.854 20 70 GFIDHM O=S(=O)([N-]C[C@@H](O)COc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000159988930 551574163 /nfs/dbraw/zinc/57/41/63/551574163.db2.gz QTIUTNHDHWOVCN-LLVKDONJSA-N -1 3 394.251 2.851 20 70 GFIDHM O=S(=O)([N-]CC1(CO)CCCC1)c1ccc(Br)cc1Cl ZINC000160343428 551579242 /nfs/dbraw/zinc/57/92/42/551579242.db2.gz IYPVNLBMFMIAIW-UHFFFAOYSA-N -1 3 382.707 2.934 20 70 GFIDHM CC[C@@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000160847717 551586320 /nfs/dbraw/zinc/58/63/20/551586320.db2.gz DJTXDBYKOQUDIC-AWEZNQCLSA-N -1 3 385.482 2.665 20 70 GFIDHM O=C(NCCNC(=O)c1ccc(Br)c(Cl)c1)c1ccc([O-])cc1 ZINC000159635851 551568599 /nfs/dbraw/zinc/56/85/99/551568599.db2.gz VDEVZUXHKQHAJV-UHFFFAOYSA-N -1 3 397.656 2.968 20 70 GFIDHM O=S(=O)([N-]C[C@H](O)COCC1CC1)c1cc2cc(Cl)ccc2s1 ZINC000160712792 551584387 /nfs/dbraw/zinc/58/43/87/551584387.db2.gz LBOIZYVSIRPHLE-ZDUSSCGKSA-N -1 3 375.899 2.621 20 70 GFIDHM Cc1ncc(C[N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)s1 ZINC000161170363 551591265 /nfs/dbraw/zinc/59/12/65/551591265.db2.gz HSZUCPQVCANCEA-UHFFFAOYSA-N -1 3 390.328 2.759 20 70 GFIDHM COc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000159362105 551564251 /nfs/dbraw/zinc/56/42/51/551564251.db2.gz OCBXAAQTXWAMOL-CYBMUJFWSA-N -1 3 375.368 2.726 20 70 GFIDHM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000159773488 551570831 /nfs/dbraw/zinc/57/08/31/551570831.db2.gz JVLOSYDCPDHILO-ROUUACIJSA-N -1 3 399.244 2.679 20 70 GFIDHM CN(C)C[C@H](O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000160109404 551575314 /nfs/dbraw/zinc/57/53/14/551575314.db2.gz NSMJVBQEINIMRC-LBPRGKRZSA-N -1 3 390.914 2.504 20 70 GFIDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)c(Cl)c1Cl ZINC000161076791 551590344 /nfs/dbraw/zinc/59/03/44/551590344.db2.gz SDTAEEAQQZNXMB-LBPRGKRZSA-N -1 3 390.288 2.884 20 70 GFIDHM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000160946888 551588012 /nfs/dbraw/zinc/58/80/12/551588012.db2.gz RBEDQNLXZBJIBT-LBPRGKRZSA-N -1 3 386.926 2.675 20 70 GFIDHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c1 ZINC000160984614 551588391 /nfs/dbraw/zinc/58/83/91/551588391.db2.gz VOGFDWDFIHYJKI-UHFFFAOYSA-N -1 3 377.315 2.972 20 70 GFIDHM O=S(=O)([N-]c1c(F)c(F)cc(F)c1F)c1cnn(C2CCOCC2)c1 ZINC000160973856 551588506 /nfs/dbraw/zinc/58/85/06/551588506.db2.gz GMNHVAADMXNMCR-UHFFFAOYSA-N -1 3 379.335 2.592 20 70 GFIDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159856670 551572068 /nfs/dbraw/zinc/57/20/68/551572068.db2.gz JTNZQTGRRRGRFR-ZFWWWQNUSA-N -1 3 383.901 2.828 20 70 GFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1nccs1 ZINC000159977435 551573595 /nfs/dbraw/zinc/57/35/95/551573595.db2.gz LLMSQKYHUAAVNH-HNNXBMFYSA-N -1 3 379.507 2.872 20 70 GFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1nccs1 ZINC000159977555 551573926 /nfs/dbraw/zinc/57/39/26/551573926.db2.gz LLMSQKYHUAAVNH-OAHLLOKOSA-N -1 3 379.507 2.872 20 70 GFIDHM O=C(CCCNC(=O)c1cccnc1)Nc1cc(Br)ccc1[O-] ZINC000160049078 551574800 /nfs/dbraw/zinc/57/48/00/551574800.db2.gz NCDMCDDUCSQDPB-UHFFFAOYSA-N -1 3 378.226 2.698 20 70 GFIDHM CCC(=O)c1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000160725533 551585045 /nfs/dbraw/zinc/58/50/45/551585045.db2.gz PLIYRTIYPMPFLZ-UHFFFAOYSA-N -1 3 386.882 2.911 20 70 GFIDHM CC[C@@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000160843033 551585864 /nfs/dbraw/zinc/58/58/64/551585864.db2.gz IAFYIGRRWOEMHX-NSHDSACASA-N -1 3 393.939 2.932 20 70 GFIDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)sc1Br ZINC000161055946 551589760 /nfs/dbraw/zinc/58/97/60/551589760.db2.gz NHUCIZLTLGJNIT-LBPRGKRZSA-N -1 3 390.324 2.701 20 70 GFIDHM CCCC1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000161144611 551590674 /nfs/dbraw/zinc/59/06/74/551590674.db2.gz MBYHVHVSGACGOS-UHFFFAOYSA-N -1 3 388.917 2.841 20 70 GFIDHM CCCCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H](C)CCC ZINC000161301871 551592748 /nfs/dbraw/zinc/59/27/48/551592748.db2.gz YXFDRLDCXJGDRT-GFCCVEGCSA-N -1 3 388.306 2.507 20 70 GFIDHM Cc1cc(Br)cc2cc(C(=O)Nc3nnc(SCCO)[n-]3)oc21 ZINC000160195543 551576728 /nfs/dbraw/zinc/57/67/28/551576728.db2.gz ZIPWNZFSQWJSOU-UHFFFAOYSA-N -1 3 397.254 2.959 20 70 GFIDHM Cc1cc(Br)cc2cc(C(=O)Nc3nc(SCCO)n[n-]3)oc21 ZINC000160195543 551576730 /nfs/dbraw/zinc/57/67/30/551576730.db2.gz ZIPWNZFSQWJSOU-UHFFFAOYSA-N -1 3 397.254 2.959 20 70 GFIDHM Cc1cc(Br)cc2cc(C(=O)Nc3n[n-]c(SCCO)n3)oc21 ZINC000160195543 551576733 /nfs/dbraw/zinc/57/67/33/551576733.db2.gz ZIPWNZFSQWJSOU-UHFFFAOYSA-N -1 3 397.254 2.959 20 70 GFIDHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](O)C1CCCCC1 ZINC000159551079 551566757 /nfs/dbraw/zinc/56/67/57/551566757.db2.gz OQLISQAAQYCQBG-ZDUSSCGKSA-N -1 3 392.315 2.677 20 70 GFIDHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)s1 ZINC000159678253 551569186 /nfs/dbraw/zinc/56/91/86/551569186.db2.gz HNVHZCFVUBTEJV-CQSZACIVSA-N -1 3 380.535 2.817 20 70 GFIDHM O=C(c1ccc(Br)cc1[O-])N1CC[C@H](OCCN2CCCCC2)C1 ZINC000159573952 551566845 /nfs/dbraw/zinc/56/68/45/551566845.db2.gz OTQXJKZUKYQLCF-HNNXBMFYSA-N -1 3 397.313 2.872 20 70 GFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(F)cc1F ZINC000159607805 551567888 /nfs/dbraw/zinc/56/78/88/551567888.db2.gz PLYMDXNHMQQPDK-CQSZACIVSA-N -1 3 389.445 2.798 20 70 GFIDHM O=S(=O)([N-]C[C@H](O)COc1cccc(Cl)c1Cl)c1ccccc1F ZINC000160017801 551574363 /nfs/dbraw/zinc/57/43/63/551574363.db2.gz QMCOHWRZSOHYDI-JTQLQIEISA-N -1 3 394.251 2.851 20 70 GFIDHM O=S(=O)([N-][C@H]1CC[C@@H](CO)CC1)c1ccc(Br)c(Cl)c1 ZINC000161357331 551593487 /nfs/dbraw/zinc/59/34/87/551593487.db2.gz HUGHGAYXVKCKTB-MGCOHNPYSA-N -1 3 382.707 2.932 20 70 GFIDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C2(CCOC)CC2)c(F)cc1F ZINC000161434362 551594333 /nfs/dbraw/zinc/59/43/33/551594333.db2.gz NSEKMLCRAHHXKI-UHFFFAOYSA-N -1 3 376.425 2.872 20 70 GFIDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(F)cc1F ZINC000159607667 551567833 /nfs/dbraw/zinc/56/78/33/551567833.db2.gz PLYMDXNHMQQPDK-AWEZNQCLSA-N -1 3 389.445 2.798 20 70 GFIDHM O=S(=O)([N-]C[C@H](O)COc1cccc(Cl)c1Cl)c1cccs1 ZINC000160016312 551574429 /nfs/dbraw/zinc/57/44/29/551574429.db2.gz DYEAPRHZPFWHGT-VIFPVBQESA-N -1 3 382.290 2.773 20 70 GFIDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000160306175 551578891 /nfs/dbraw/zinc/57/88/91/551578891.db2.gz OJURHVWAPBPDRD-LBPRGKRZSA-N -1 3 386.695 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O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1ccc(F)cc1Br ZINC000159537211 551566477 /nfs/dbraw/zinc/56/64/77/551566477.db2.gz ZYLVSQYHGOOPRI-ZDUSSCGKSA-N -1 3 380.279 2.808 20 70 GFIDHM C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000161033268 551589204 /nfs/dbraw/zinc/58/92/04/551589204.db2.gz BQTKUSKYMQQKMR-SNVBAGLBSA-N -1 3 384.454 2.650 20 70 GFIDHM CS(=O)(=O)CCCCN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000161478481 551595153 /nfs/dbraw/zinc/59/51/53/551595153.db2.gz KDFODGUWCQUZOV-UHFFFAOYSA-N -1 3 388.917 2.521 20 70 GFIDHM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000159574083 551567013 /nfs/dbraw/zinc/56/70/13/551567013.db2.gz OTQXJKZUKYQLCF-OAHLLOKOSA-N -1 3 397.313 2.872 20 70 GFIDHM O=S(=O)([N-]CCNc1nccc(C(F)(F)F)n1)c1ccc(Cl)cc1F ZINC000159593325 551567248 /nfs/dbraw/zinc/56/72/48/551567248.db2.gz LFYQHPCPEPFLNE-UHFFFAOYSA-N -1 3 398.769 2.678 20 70 GFIDHM CC[C@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000160847834 551586182 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GFIDHM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000159773202 551571056 /nfs/dbraw/zinc/57/10/56/551571056.db2.gz JVLOSYDCPDHILO-ZWKOTPCHSA-N -1 3 399.244 2.679 20 70 GFIDHM NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000160249004 551577914 /nfs/dbraw/zinc/57/79/14/551577914.db2.gz LQZWVUQRKPHMCV-SCZZXKLOSA-N -1 3 384.807 2.681 20 70 GFIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(CS(C)(=O)=O)c(C)s3)[n-]2)o1 ZINC000160385019 551579860 /nfs/dbraw/zinc/57/98/60/551579860.db2.gz IHKBGSBGONZJJX-UHFFFAOYSA-N -1 3 380.451 2.540 20 70 GFIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(CS(C)(=O)=O)c(C)s3)n2)o1 ZINC000160385019 551579862 /nfs/dbraw/zinc/57/98/62/551579862.db2.gz IHKBGSBGONZJJX-UHFFFAOYSA-N -1 3 380.451 2.540 20 70 GFIDHM Cc1ccc(-c2nc(NC(=O)c3cc(CS(C)(=O)=O)c(C)s3)n[n-]2)o1 ZINC000160385019 551579864 /nfs/dbraw/zinc/57/98/64/551579864.db2.gz IHKBGSBGONZJJX-UHFFFAOYSA-N -1 3 380.451 2.540 20 70 GFIDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159856796 551572084 /nfs/dbraw/zinc/57/20/84/551572084.db2.gz JTNZQTGRRRGRFR-DZGCQCFKSA-N -1 3 383.901 2.828 20 70 GFIDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)c1nccs1 ZINC000159976094 551573866 /nfs/dbraw/zinc/57/38/66/551573866.db2.gz SVVOYBBSHKNWGD-LBPRGKRZSA-N -1 3 388.536 2.593 20 70 GFIDHM COc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000160749238 551584940 /nfs/dbraw/zinc/58/49/40/551584940.db2.gz GZVLYDFEASOVRB-CQSZACIVSA-N -1 3 375.368 2.726 20 70 GFIDHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)c(Br)c1 ZINC000160258520 551577828 /nfs/dbraw/zinc/57/78/28/551577828.db2.gz CVLDCROMVXBICR-UHFFFAOYSA-N -1 3 391.674 2.910 20 70 GFIDHM COc1cccc(C(=O)N(CCO)Cc2cc(Br)ccc2F)c1[O-] ZINC000160273774 551578129 /nfs/dbraw/zinc/57/81/29/551578129.db2.gz YECDQMKSVRWUEG-UHFFFAOYSA-N -1 3 398.228 2.937 20 70 GFIDHM CC[C@H](CS(=O)(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000160846498 551586332 /nfs/dbraw/zinc/58/63/32/551586332.db2.gz SHTBGBGMFJSNPP-CQSZACIVSA-N -1 3 385.482 2.665 20 70 GFIDHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000160922792 551587616 /nfs/dbraw/zinc/58/76/16/551587616.db2.gz PZCYJHYJJZLXGS-UHFFFAOYSA-N -1 3 382.829 2.676 20 70 GFIDHM COc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000159362223 551564286 /nfs/dbraw/zinc/56/42/86/551564286.db2.gz OCBXAAQTXWAMOL-ZDUSSCGKSA-N -1 3 375.368 2.726 20 70 GFIDHM Cc1ccoc1C(=O)NCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000160276979 551578255 /nfs/dbraw/zinc/57/82/55/551578255.db2.gz RWEHSSRHBGDBPY-UHFFFAOYSA-N -1 3 391.276 2.993 20 70 GFIDHM O=S(=O)([N-]C[C@@H](O)Cc1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000161058178 551589580 /nfs/dbraw/zinc/58/95/80/551589580.db2.gz JJBIZBZYTVYFAN-ZDUSSCGKSA-N -1 3 377.359 2.726 20 70 GFIDHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1Cl ZINC000161259458 551592187 /nfs/dbraw/zinc/59/21/87/551592187.db2.gz NWMFVQHKDXNGNL-ZDUSSCGKSA-N -1 3 382.844 2.842 20 70 GFIDHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)s2)s1 ZINC000159639550 551568676 /nfs/dbraw/zinc/56/86/76/551568676.db2.gz NELZIBUSSPVFNA-LLVKDONJSA-N -1 3 386.564 2.706 20 70 GFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)c1nccs1 ZINC000159922682 551573257 /nfs/dbraw/zinc/57/32/57/551573257.db2.gz IGMPHJMUJPIZPZ-ABAIWWIYSA-N -1 3 379.507 2.870 20 70 GFIDHM CCCCCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H](C)CCC ZINC000161301746 551592591 /nfs/dbraw/zinc/59/25/91/551592591.db2.gz YXFDRLDCXJGDRT-LBPRGKRZSA-N -1 3 388.306 2.507 20 70 GFIDHM CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000159760855 551570471 /nfs/dbraw/zinc/57/04/71/551570471.db2.gz BWWRTZLDKYXSPW-CYBMUJFWSA-N -1 3 386.290 2.649 20 70 GFIDHM O=S(=O)([N-]C[C@H](O)COc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000159964764 551573567 /nfs/dbraw/zinc/57/35/67/551573567.db2.gz MGMOUVLRLAAWQD-NSHDSACASA-N -1 3 394.251 2.851 20 70 GFIDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCc1cc2ccccc2[nH]1 ZINC000159538761 551566313 /nfs/dbraw/zinc/56/63/13/551566313.db2.gz CFLXSBJDHXOWOC-UHFFFAOYSA-N -1 3 397.909 2.520 20 70 GFIDHM Cc1ccc(Br)c(C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000159635437 551568596 /nfs/dbraw/zinc/56/85/96/551568596.db2.gz HXUCWMPWCYDDSZ-UHFFFAOYSA-N -1 3 377.238 2.623 20 70 GFIDHM Cc1nnc([N-]C(=O)c2cc(I)c(F)cc2F)s1 ZINC000159741863 551570580 /nfs/dbraw/zinc/57/05/80/551570580.db2.gz CMSSEZPFAWPYNE-UHFFFAOYSA-N -1 3 381.145 2.982 20 70 GFIDHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2CO)c(Cl)c1Cl ZINC000159773621 551570691 /nfs/dbraw/zinc/57/06/91/551570691.db2.gz GVESNEPFRSJIDY-UHFFFAOYSA-N -1 3 376.261 2.973 20 70 GFIDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2)c1nccs1 ZINC000159913795 551573165 /nfs/dbraw/zinc/57/31/65/551573165.db2.gz VZXVZLUYQZRPBM-OAHLLOKOSA-N -1 3 379.507 2.872 20 70 GFIDHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000159994629 551574172 /nfs/dbraw/zinc/57/41/72/551574172.db2.gz BNOAQYQXOYGDCB-GFCCVEGCSA-N -1 3 376.906 2.697 20 70 GFIDHM O=S(=O)([N-]C[C@H](O)COc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000159988775 551574360 /nfs/dbraw/zinc/57/43/60/551574360.db2.gz QTIUTNHDHWOVCN-NSHDSACASA-N -1 3 394.251 2.851 20 70 GFIDHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C3CC3)CC2)cc1 ZINC000160174805 551576673 /nfs/dbraw/zinc/57/66/73/551576673.db2.gz NUDVTDWOSSSZFI-UHFFFAOYSA-N -1 3 386.539 2.697 20 70 GFIDHM NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000160248745 551577800 /nfs/dbraw/zinc/57/78/00/551577800.db2.gz LQZWVUQRKPHMCV-WPRPVWTQSA-N -1 3 384.807 2.681 20 70 GFIDHM CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000160335362 551579366 /nfs/dbraw/zinc/57/93/66/551579366.db2.gz CFHSNTKDCOYNAQ-LLVKDONJSA-N -1 3 390.221 2.907 20 70 GFIDHM CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O)c1nccs1 ZINC000159922399 551573070 /nfs/dbraw/zinc/57/30/70/551573070.db2.gz IGMPHJMUJPIZPZ-NHYWBVRUSA-N -1 3 379.507 2.870 20 70 GFIDHM O=S(=O)([N-]C[C@H](O)COc1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000159981903 551573587 /nfs/dbraw/zinc/57/35/87/551573587.db2.gz PYMCHJMRZIIEEX-LBPRGKRZSA-N -1 3 394.251 2.851 20 70 GFIDHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(Br)c1 ZINC000160132485 551575664 /nfs/dbraw/zinc/57/56/64/551575664.db2.gz VCWJYKGZFHYQBC-UHFFFAOYSA-N -1 3 388.283 2.704 20 70 GFIDHM Cc1cnn(Cc2cc(C(=O)NCc3ccc([O-])c(Br)c3)no2)c1 ZINC000160327836 551578654 /nfs/dbraw/zinc/57/86/54/551578654.db2.gz KCVMYYMNADABPA-UHFFFAOYSA-N -1 3 391.225 2.626 20 70 GFIDHM CSc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2Cl)cc1 ZINC000160856254 551586313 /nfs/dbraw/zinc/58/63/13/551586313.db2.gz RSOCPMPNDYVCDB-UHFFFAOYSA-N -1 3 381.870 2.838 20 70 GFIDHM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1F ZINC000161258954 551592203 /nfs/dbraw/zinc/59/22/03/551592203.db2.gz AXEPTOAOXCPCPH-ZDUSSCGKSA-N -1 3 382.844 2.842 20 70 GFIDHM CCC1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000161280559 551592394 /nfs/dbraw/zinc/59/23/94/551592394.db2.gz YVDQBSHSJDBHDG-UHFFFAOYSA-N -1 3 388.917 2.699 20 70 GFIDHM CCN(CC)CC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000159457920 551565325 /nfs/dbraw/zinc/56/53/25/551565325.db2.gz SVSLRDBLESXLCH-UHFFFAOYSA-N -1 3 387.702 2.862 20 70 GFIDHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000160010601 551574380 /nfs/dbraw/zinc/57/43/80/551574380.db2.gz UFVGBBFAPRLNOK-UHFFFAOYSA-N -1 3 376.906 2.697 20 70 GFIDHM NC(=O)c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000161269687 551592384 /nfs/dbraw/zinc/59/23/84/551592384.db2.gz HFVYTNRHMLPGHD-UHFFFAOYSA-N -1 3 382.189 2.714 20 70 GFIDHM