smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217832178 205941136 /nfs/dbraw/zinc/94/11/36/205941136.db2.gz FPUVBAJXIGTVOG-KRWDZBQOSA-N 0 0 375.852 4.146 40 70 GIIBRN COc1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1OC ZINC000218163941 205945278 /nfs/dbraw/zinc/94/52/78/205945278.db2.gz LIMFHVGQSULIEG-UHFFFAOYSA-N 0 0 377.440 4.309 40 70 GIIBRN Cc1ccc(-c2noc(CNC(=O)CCCOc3ccc(Cl)cc3)n2)cc1 ZINC000218738314 205948872 /nfs/dbraw/zinc/94/88/72/205948872.db2.gz KBBYWLXHQHHBPG-UHFFFAOYSA-N 0 0 385.851 4.174 40 70 GIIBRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1 ZINC000218716834 205949144 /nfs/dbraw/zinc/94/91/44/205949144.db2.gz GDUKAXWEQBOFRG-HNNXBMFYSA-N 0 0 399.878 4.399 40 70 GIIBRN COc1ccc(OC[C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000218735655 205949391 /nfs/dbraw/zinc/94/93/91/205949391.db2.gz PDOOMJWJDHUOHC-OAHLLOKOSA-N 0 0 377.868 4.091 40 70 GIIBRN COc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 ZINC000218741496 205950997 /nfs/dbraw/zinc/95/09/97/205950997.db2.gz ZEBGMGNNNFCVHB-HXUWFJFHSA-N 0 0 399.487 4.281 40 70 GIIBRN C[C@@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000218073821 205943362 /nfs/dbraw/zinc/94/33/62/205943362.db2.gz UUDOKCKERKUXKQ-CYBMUJFWSA-N 0 0 387.892 4.328 40 70 GIIBRN Cc1cccc(-c2noc(CNC(=O)CSCc3cccc(Cl)c3)n2)c1 ZINC000218039094 205943585 /nfs/dbraw/zinc/94/35/85/205943585.db2.gz DICKPKHVKOIEGG-UHFFFAOYSA-N 0 0 387.892 4.248 40 70 GIIBRN COc1ccc(/C=C/C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000217921885 570322662 /nfs/dbraw/zinc/32/26/62/570322662.db2.gz GRPXXWGWXGWABP-LFYBBSHMSA-N 0 0 383.835 4.070 40 70 GIIBRN COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC ZINC000217924912 570322806 /nfs/dbraw/zinc/32/28/06/570322806.db2.gz UJGJXQCKFBRDKF-MZEUMTGBSA-N 0 0 381.472 4.444 40 70 GIIBRN COc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000218042089 570324469 /nfs/dbraw/zinc/32/44/69/570324469.db2.gz JRTKZHUWZGWOHC-AWEZNQCLSA-N 0 0 379.909 4.166 40 70 GIIBRN C[C@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000218073909 570324674 /nfs/dbraw/zinc/32/46/74/570324674.db2.gz UUDOKCKERKUXKQ-ZDUSSCGKSA-N 0 0 387.892 4.328 40 70 GIIBRN COc1ccc(CCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1OC ZINC000218096335 570325273 /nfs/dbraw/zinc/32/52/73/570325273.db2.gz VKTCPHKQKFJTIM-CAPFRKAQSA-N 0 0 377.440 4.196 40 70 GIIBRN Cc1ccc(S[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218143822 570326327 /nfs/dbraw/zinc/32/63/27/570326327.db2.gz PJSROWFCMNYIRV-CYBMUJFWSA-N 0 0 387.892 4.495 40 70 GIIBRN COc1ccc(OC[C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000218201302 570327584 /nfs/dbraw/zinc/32/75/84/570327584.db2.gz FDIUSUGRFYOQTG-CYBMUJFWSA-N 0 0 397.899 4.305 40 70 GIIBRN CCOc1ccc(CNC(=O)c2ccccc2Br)cc1OCC ZINC000218220954 570327989 /nfs/dbraw/zinc/32/79/89/570327989.db2.gz HQCFKEPZKSHBGJ-UHFFFAOYSA-N 0 0 378.266 4.177 40 70 GIIBRN COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000218663952 570338601 /nfs/dbraw/zinc/33/86/01/570338601.db2.gz QMVYGVYHDYUIAG-SJORKVTESA-N 0 0 385.504 4.344 40 70 GIIBRN Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000218669962 570338997 /nfs/dbraw/zinc/33/89/97/570338997.db2.gz XUZXOKUICUVWOV-MRXNPFEDSA-N 0 0 393.487 4.426 40 70 GIIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccc(C)cc1 ZINC000218734417 570340039 /nfs/dbraw/zinc/34/00/39/570340039.db2.gz KGYZNUUOHNKXEX-UHFFFAOYSA-N 0 0 385.489 4.314 40 70 GIIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000218758336 570340625 /nfs/dbraw/zinc/34/06/25/570340625.db2.gz HEPIMKODJMKKHB-UXHICEINSA-N 0 0 399.487 4.280 40 70 GIIBRN CN(CCNC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000218154293 205946141 /nfs/dbraw/zinc/94/61/41/205946141.db2.gz MPJWMQKPILJRBE-UHFFFAOYSA-N 0 0 383.344 4.479 40 70 GIIBRN COc1ccc(CSCC(=O)NCCSCc2ccccc2C)cc1 ZINC000218110976 205943986 /nfs/dbraw/zinc/94/39/86/205943986.db2.gz ACGCCEJSWZTVHJ-UHFFFAOYSA-N 0 0 375.559 4.286 40 70 GIIBRN Cc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 ZINC000216762284 570305600 /nfs/dbraw/zinc/30/56/00/570305600.db2.gz TXTYVHQONGHIKF-IBGZPJMESA-N 0 0 388.393 4.189 40 70 GIIBRN COc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)c(OC)c1OC ZINC000218085881 570325062 /nfs/dbraw/zinc/32/50/62/570325062.db2.gz LGFHRLCLVMOWAX-UHFFFAOYSA-N 0 0 395.908 4.164 40 70 GIIBRN COc1ccc(CSCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000218112517 570325408 /nfs/dbraw/zinc/32/54/08/570325408.db2.gz BDSPCEIFBMAKDA-UHFFFAOYSA-N 0 0 389.517 4.041 40 70 GIIBRN CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218142906 570326261 /nfs/dbraw/zinc/32/62/61/570326261.db2.gz LMFNLTDJWTVYIK-BEFAXECRSA-N 0 0 391.558 4.147 40 70 GIIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(C)cc3)n2)cc1 ZINC000218145263 570326357 /nfs/dbraw/zinc/32/63/57/570326357.db2.gz OELPTXUXBRZARH-OAHLLOKOSA-N 0 0 397.500 4.193 40 70 GIIBRN Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000218151794 570326655 /nfs/dbraw/zinc/32/66/55/570326655.db2.gz OEDHWFDEKAHCPL-UHFFFAOYSA-N 0 0 381.501 4.494 40 70 GIIBRN Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000218144964 205945335 /nfs/dbraw/zinc/94/53/35/205945335.db2.gz KVXRTVQAABWBDM-MRXNPFEDSA-N 0 0 381.501 4.493 40 70 GIIBRN COc1ccc(OCCCC(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000218740315 205951380 /nfs/dbraw/zinc/95/13/80/205951380.db2.gz XQMMRLHGIIHDSK-UHFFFAOYSA-N 0 0 385.504 4.390 40 70 GIIBRN CCOc1ccc(CNC(=O)c2ccc(Br)cc2)cc1OCC ZINC000217868633 570322113 /nfs/dbraw/zinc/32/21/13/570322113.db2.gz KGXQKPAVOXDCBE-UHFFFAOYSA-N 0 0 378.266 4.177 40 70 GIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000217925470 570322821 /nfs/dbraw/zinc/32/28/21/570322821.db2.gz OMOYSKYZWAGKAB-JGZYNSJSSA-N 0 0 397.471 4.144 40 70 GIIBRN C[C@@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000218074010 570324636 /nfs/dbraw/zinc/32/46/36/570324636.db2.gz DLVVUFNPJUXOJU-CYBMUJFWSA-N 0 0 387.892 4.328 40 70 GIIBRN COc1ccc(CSCC(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000218113570 570325390 /nfs/dbraw/zinc/32/53/90/570325390.db2.gz LNGLNQBJZXAGGQ-UHFFFAOYSA-N 0 0 387.545 4.465 40 70 GIIBRN Cc1ccc(OCCNC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000218195994 570327580 /nfs/dbraw/zinc/32/75/80/570327580.db2.gz FRNGWZNVZTWSIU-UHFFFAOYSA-N 0 0 394.334 4.186 40 70 GIIBRN COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1Br)CC(C)(C)O2 ZINC000218222104 570328405 /nfs/dbraw/zinc/32/84/05/570328405.db2.gz RMTOXXUDXBFZIJ-MRXNPFEDSA-N 0 0 390.277 4.490 40 70 GIIBRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000218681197 570339066 /nfs/dbraw/zinc/33/90/66/570339066.db2.gz PWKWFLLEGHGPHT-LLVKDONJSA-N 0 0 392.242 4.127 40 70 GIIBRN CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000218742163 205951681 /nfs/dbraw/zinc/95/16/81/205951681.db2.gz MGWBSZHKLWZMBW-LJQANCHMSA-N 0 0 387.476 4.139 40 70 GIIBRN CSc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N2CCN(C)CC2)n1 ZINC000216851639 136203096 /nfs/dbraw/zinc/20/30/96/136203096.db2.gz QDGVCVUJCPYBFM-UHFFFAOYSA-N 0 0 384.336 4.001 40 70 GIIBRN CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)ccc1O ZINC000217629031 570319701 /nfs/dbraw/zinc/31/97/01/570319701.db2.gz DTEURNFLCFXMBC-YTMVEMIDSA-N 0 0 375.515 4.193 40 70 GIIBRN CC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(OC)c(OC)c1 ZINC000217870563 570322419 /nfs/dbraw/zinc/32/24/19/570322419.db2.gz QRQTVMUPAKTQLD-OAHLLOKOSA-N 0 0 378.266 4.347 40 70 GIIBRN Cc1cccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c1 ZINC000217993963 570323448 /nfs/dbraw/zinc/32/34/48/570323448.db2.gz NJNAXXGYDRIMCK-ZDUSSCGKSA-N 0 0 387.892 4.495 40 70 GIIBRN Cc1ccc(CSCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000218025639 570324143 /nfs/dbraw/zinc/32/41/43/570324143.db2.gz KCKSHTDIUIXRJX-UHFFFAOYSA-N 0 0 387.892 4.248 40 70 GIIBRN Cc1cccc(-c2noc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)n2)c1 ZINC000218106676 570325363 /nfs/dbraw/zinc/32/53/63/570325363.db2.gz BFNGCURZCBGOFN-XSFVSMFZSA-N 0 0 385.423 4.495 40 70 GIIBRN CC[C@@H](NC(=O)c1ccccc1Br)c1ccc(OC)c(OC)c1 ZINC000218222721 570328413 /nfs/dbraw/zinc/32/84/13/570328413.db2.gz XVMDQXBQPKIYJW-OAHLLOKOSA-N 0 0 378.266 4.347 40 70 GIIBRN COc1ccc2c(c1)[C@@H](NC(=O)c1cc3cccc(OC)c3o1)CC(C)(C)O2 ZINC000218617237 570338346 /nfs/dbraw/zinc/33/83/46/570338346.db2.gz MXZHICGMDCXJEE-INIZCTEOSA-N 0 0 381.428 4.482 40 70 GIIBRN COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000218710434 570339376 /nfs/dbraw/zinc/33/93/76/570339376.db2.gz UVBSTHQDSAAUEF-HOTGVXAUSA-N 0 0 391.895 4.316 40 70 GIIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000218739147 570339965 /nfs/dbraw/zinc/33/99/65/570339965.db2.gz WNELMUSRYQLFQW-UHFFFAOYSA-N 0 0 391.880 4.269 40 70 GIIBRN Cc1cccc(-c2noc(CNC(=O)CCCOc3ccc(Cl)cc3)n2)c1 ZINC000218738256 570340060 /nfs/dbraw/zinc/34/00/60/570340060.db2.gz RWQFSSCAPVRYQK-UHFFFAOYSA-N 0 0 385.851 4.174 40 70 GIIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000218758528 570340710 /nfs/dbraw/zinc/34/07/10/570340710.db2.gz AGJLERFLNSOKEJ-UXHICEINSA-N 0 0 399.487 4.280 40 70 GIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Br)cc1 ZINC000217870060 570322067 /nfs/dbraw/zinc/32/20/67/570322067.db2.gz ZGXNURQIOSPVHL-INIZCTEOSA-N 0 0 390.277 4.490 40 70 GIIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(C)cc1 ZINC000218026808 570324185 /nfs/dbraw/zinc/32/41/85/570324185.db2.gz YVWGCMIRBOPBBE-UHFFFAOYSA-N 0 0 387.530 4.388 40 70 GIIBRN O=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2cccs2)no1 ZINC000218091205 570324987 /nfs/dbraw/zinc/32/49/87/570324987.db2.gz RRXPSVUYBZLQEZ-UHFFFAOYSA-N 0 0 379.894 4.250 40 70 GIIBRN O=C(CN1C(=O)c2cccc3cccc1c23)NCCCc1ccccc1Cl ZINC000218315979 570331163 /nfs/dbraw/zinc/33/11/63/570331163.db2.gz IGLKDXNNVGCICO-UHFFFAOYSA-N 0 0 378.859 4.202 40 70 GIIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000218682784 570339358 /nfs/dbraw/zinc/33/93/58/570339358.db2.gz BGGDMZOPIVZMSC-GFCCVEGCSA-N 0 0 391.880 4.268 40 70 GIIBRN Cc1ccc(OCCCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000218733757 570339951 /nfs/dbraw/zinc/33/99/51/570339951.db2.gz ISHJQHQAKWLYQA-UHFFFAOYSA-N 0 0 379.460 4.171 40 70 GIIBRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000218759175 570340728 /nfs/dbraw/zinc/34/07/28/570340728.db2.gz HDQVKLMBYCNWLB-MOPGFXCFSA-N 0 0 387.476 4.137 40 70 GIIBRN CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000217903056 205941543 /nfs/dbraw/zinc/94/15/43/205941543.db2.gz OSKIJIGIHHHICN-HGZMWJMZSA-N 0 0 377.893 4.024 40 70 GIIBRN C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000218681396 205948692 /nfs/dbraw/zinc/94/86/92/205948692.db2.gz NPRNDOBSUCHZEN-NSHDSACASA-N 0 0 392.242 4.127 40 70 GIIBRN COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OC ZINC000217925019 205944059 /nfs/dbraw/zinc/94/40/59/205944059.db2.gz YRDFNSIWQHSUNT-VEGGFIAOSA-N 0 0 381.472 4.444 40 70 GIIBRN Cc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 ZINC000216762245 570305659 /nfs/dbraw/zinc/30/56/59/570305659.db2.gz TXTYVHQONGHIKF-LJQANCHMSA-N 0 0 388.393 4.189 40 70 GIIBRN CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217961346 570323000 /nfs/dbraw/zinc/32/30/00/570323000.db2.gz ADPMUCSWBWGUDC-LGWVBRRBSA-N 0 0 377.893 4.024 40 70 GIIBRN COc1ccc(CCCNC(=O)CSCc2ccccc2Cl)cc1OC ZINC000218029589 570324172 /nfs/dbraw/zinc/32/41/72/570324172.db2.gz WDZHNYVDYHWFMJ-UHFFFAOYSA-N 0 0 393.936 4.339 40 70 GIIBRN Cc1ccc(S[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218143745 570326241 /nfs/dbraw/zinc/32/62/41/570326241.db2.gz PJSROWFCMNYIRV-ZDUSSCGKSA-N 0 0 387.892 4.495 40 70 GIIBRN COc1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000218537989 570336273 /nfs/dbraw/zinc/33/62/73/570336273.db2.gz GQSQSQRIIZSOPT-UHFFFAOYSA-N 0 0 385.504 4.259 40 70 GIIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 ZINC000218756141 570340242 /nfs/dbraw/zinc/34/02/42/570340242.db2.gz HLTHIRROHZRVSI-QFIPXVFZSA-N 0 0 385.504 4.389 40 70 GIIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000218758289 570340606 /nfs/dbraw/zinc/34/06/06/570340606.db2.gz HEPIMKODJMKKHB-WOJBJXKFSA-N 0 0 399.487 4.280 40 70 GIIBRN CCOc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccc(OC)cc3)c2)c1 ZINC000216745166 205934317 /nfs/dbraw/zinc/93/43/17/205934317.db2.gz DPQXPYPAOYMESL-QHCPKHFHSA-N 0 0 378.472 4.416 40 70 GIIBRN COc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(C)cc3)n2)cc1 ZINC000218151895 205946112 /nfs/dbraw/zinc/94/61/12/205946112.db2.gz ROLPPAKYVUDLJM-UHFFFAOYSA-N 0 0 397.500 4.194 40 70 GIIBRN CC1(C)C[C@@H](NC(=O)CN2c3cccc4cccc(c34)C2=O)c2ccccc2O1 ZINC000218317364 205947643 /nfs/dbraw/zinc/94/76/43/205947643.db2.gz MPOHFPMHHFWVTE-GOSISDBHSA-N 0 0 386.451 4.219 40 70 GIIBRN Cc1cc(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc(C)c1Cl ZINC000218717731 205949314 /nfs/dbraw/zinc/94/93/14/205949314.db2.gz FABBKVGAXCKAAZ-OAHLLOKOSA-N 0 0 399.878 4.433 40 70 GIIBRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000218759097 205951225 /nfs/dbraw/zinc/95/12/25/205951225.db2.gz HDQVKLMBYCNWLB-RTBURBONSA-N 0 0 387.476 4.137 40 70 GIIBRN Cc1nc(Nc2ccccc2Oc2ccccc2)cc(N2CCN(C)CC2)n1 ZINC000216850435 136203165 /nfs/dbraw/zinc/20/31/65/136203165.db2.gz OVLSXDJCCHOVOW-UHFFFAOYSA-N 0 0 375.476 4.073 40 70 GIIBRN O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000218098326 136203603 /nfs/dbraw/zinc/20/36/03/136203603.db2.gz YCAYLCUDTBLPHS-OQKWZONESA-N 0 0 376.431 4.308 40 70 GIIBRN CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000217924038 570322661 /nfs/dbraw/zinc/32/26/61/570322661.db2.gz SSLNJAKFFJBDGP-WYMLVPIESA-N 0 0 383.488 4.255 40 70 GIIBRN CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217961264 570323033 /nfs/dbraw/zinc/32/30/33/570323033.db2.gz ADPMUCSWBWGUDC-QPEODSHDSA-N 0 0 377.893 4.024 40 70 GIIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)SCc3ccccc3)n2)cc1 ZINC000218074966 570324647 /nfs/dbraw/zinc/32/46/47/570324647.db2.gz AGHWHFVOTPGWAV-OAHLLOKOSA-N 0 0 397.500 4.026 40 70 GIIBRN CCCOc1ccccc1CCCNC(=O)CSCc1ccc(OC)cc1 ZINC000218114349 570325554 /nfs/dbraw/zinc/32/55/54/570325554.db2.gz DXLLZTWHYCZQMJ-UHFFFAOYSA-N 0 0 387.545 4.466 40 70 GIIBRN COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc(OC)c1OC ZINC000218128229 570325736 /nfs/dbraw/zinc/32/57/36/570325736.db2.gz KFQRNTUQXJUJMV-MRXNPFEDSA-N 0 0 385.460 4.053 40 70 GIIBRN Cc1ccc(OCCCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000218733664 570339989 /nfs/dbraw/zinc/33/99/89/570339989.db2.gz LPBHWBHLBWJWST-UHFFFAOYSA-N 0 0 379.460 4.171 40 70 GIIBRN COc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc(OC)c1OC ZINC000218128327 205945656 /nfs/dbraw/zinc/94/56/56/205945656.db2.gz KFQRNTUQXJUJMV-INIZCTEOSA-N 0 0 385.460 4.053 40 70 GIIBRN Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000218144742 205945920 /nfs/dbraw/zinc/94/59/20/205945920.db2.gz XLHDVOFTUFITME-MRXNPFEDSA-N 0 0 381.501 4.493 40 70 GIIBRN Cc1cccc(-c2noc(CNC(=O)CSCc3ccccc3Cl)n2)c1 ZINC000218032234 570324092 /nfs/dbraw/zinc/32/40/92/570324092.db2.gz XRTONCUHQSMWAU-UHFFFAOYSA-N 0 0 387.892 4.248 40 70 GIIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccccc1Cl ZINC000218033115 570324435 /nfs/dbraw/zinc/32/44/35/570324435.db2.gz AGPPOGFYVPNYIU-UHFFFAOYSA-N 0 0 387.892 4.282 40 70 GIIBRN COc1ccc(OC[C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000218087021 570325001 /nfs/dbraw/zinc/32/50/01/570325001.db2.gz LRZDFTWMMPINKT-CQSZACIVSA-N 0 0 379.909 4.415 40 70 GIIBRN CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000218116647 570325631 /nfs/dbraw/zinc/32/56/31/570325631.db2.gz WEUBTIYSBOQLPI-GOSISDBHSA-N 0 0 389.517 4.213 40 70 GIIBRN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 ZINC000218681693 570339029 /nfs/dbraw/zinc/33/90/29/570339029.db2.gz PLSIMBQONUJNRE-AWEZNQCLSA-N 0 0 385.851 4.124 40 70 GIIBRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1 ZINC000218681630 570339068 /nfs/dbraw/zinc/33/90/68/570339068.db2.gz PLSIMBQONUJNRE-CQSZACIVSA-N 0 0 385.851 4.124 40 70 GIIBRN CC[C@H](NC(=O)[C@H](CC)Oc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000218759222 570340693 /nfs/dbraw/zinc/34/06/93/570340693.db2.gz HDQVKLMBYCNWLB-OALUTQOASA-N 0 0 387.476 4.137 40 70 GIIBRN O=C(CSCc1ccccc1Cl)NCc1nc(-c2cccs2)no1 ZINC000218033007 208833312 /nfs/dbraw/zinc/83/33/12/208833312.db2.gz PEZIYKCKTUNDBX-UHFFFAOYSA-N 0 0 379.894 4.001 40 70 GIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1Br ZINC000218222301 208834548 /nfs/dbraw/zinc/83/45/48/208834548.db2.gz YAKNMGPNUINWQM-MRXNPFEDSA-N 0 0 390.277 4.490 40 70 GIIBRN CSc1nc(Nc2cccc(Cl)c2Cl)cc(N2CCN(C)CC2)n1 ZINC000216851515 136203092 /nfs/dbraw/zinc/20/30/92/136203092.db2.gz YVBLDQGMBORIMK-UHFFFAOYSA-N 0 0 384.336 4.001 40 70 GIIBRN O=C(CCCOc1ccc(Cl)cc1)NCCCN1CCCc2ccccc21 ZINC000218739453 136203791 /nfs/dbraw/zinc/20/37/91/136203791.db2.gz SQZOFFVASJBWOU-UHFFFAOYSA-N 0 0 386.923 4.458 40 70 GIIBRN CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218142819 570326002 /nfs/dbraw/zinc/32/60/02/570326002.db2.gz LMFNLTDJWTVYIK-DNVCBOLYSA-N 0 0 391.558 4.147 40 70 GIIBRN CC(C)(NC(=O)c1nn(CC2CCOCC2)c2ccccc21)c1ccccc1 ZINC000218736102 570961290 /nfs/dbraw/zinc/96/12/90/570961290.db2.gz HINCNLQQLQFMRD-UHFFFAOYSA-N 0 0 377.488 4.128 40 70 in-vitro GIIBRN COc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4C)o3)C2)cc1 ZINC000216647428 208822838 /nfs/dbraw/zinc/82/28/38/208822838.db2.gz JXILMVLSDREWDH-QGZVFWFLSA-N 0 0 377.444 4.073 40 70 GIIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1ccccc1 ZINC000218012944 208832860 /nfs/dbraw/zinc/83/28/60/208832860.db2.gz LLNMYIZIUKYENZ-UHFFFAOYSA-N 0 0 387.892 4.282 40 70 GIIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(C)cc3)n2)cc1 ZINC000218145345 208833220 /nfs/dbraw/zinc/83/32/20/208833220.db2.gz OELPTXUXBRZARH-HNNXBMFYSA-N 0 0 397.500 4.193 40 70 GIIBRN COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000218664016 208837509 /nfs/dbraw/zinc/83/75/09/208837509.db2.gz QMVYGVYHDYUIAG-IRXDYDNUSA-N 0 0 385.504 4.344 40 70 GIIBRN CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OCC ZINC000218672995 208838145 /nfs/dbraw/zinc/83/81/45/208838145.db2.gz BUXGRTGOSLCUIZ-AWEZNQCLSA-N 0 0 377.868 4.221 40 70 GIIBRN CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccccc2Br)c1 ZINC000216714537 136203232 /nfs/dbraw/zinc/20/32/32/136203232.db2.gz XLLLVCMOLPUKJF-IBGZPJMESA-N 0 0 396.288 4.460 40 70 GIIBRN Cc1ccccc1CSCC(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000218019181 570324043 /nfs/dbraw/zinc/32/40/43/570324043.db2.gz MVTWOIUUQCQNSG-UHFFFAOYSA-N 0 0 387.892 4.248 40 70 GIIBRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)SCc3ccccc3)n2)c1 ZINC000218074398 570324710 /nfs/dbraw/zinc/32/47/10/570324710.db2.gz LWYPNFGTELTKFZ-MRXNPFEDSA-N 0 0 381.501 4.325 40 70 GIIBRN Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000218144681 570326250 /nfs/dbraw/zinc/32/62/50/570326250.db2.gz XLHDVOFTUFITME-INIZCTEOSA-N 0 0 381.501 4.493 40 70 GIIBRN CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218150712 570326475 /nfs/dbraw/zinc/32/64/75/570326475.db2.gz ZQHODBJJNMZIBQ-LJQANCHMSA-N 0 0 391.558 4.148 40 70 GIIBRN COc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 ZINC000218709858 570339360 /nfs/dbraw/zinc/33/93/60/570339360.db2.gz AFNGIBCREUVQCL-MRXNPFEDSA-N 0 0 375.896 4.482 40 70 GIIBRN COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(OC)c1OC ZINC000218186685 208835544 /nfs/dbraw/zinc/83/55/44/208835544.db2.gz HOTUYHXJIVECNV-MLFXKNMZSA-N 0 0 397.471 4.144 40 70 GIIBRN COc1ccccc1N1CCN(C(=O)/C(=C/c2ccco2)c2ccccc2)CC1 ZINC000218094524 537062808 /nfs/dbraw/zinc/06/28/08/537062808.db2.gz HPHBZOLWDDDOHL-DYTRJAOYSA-N 0 0 388.467 4.178 40 70 GIIBRN Cc1cccc(N2CCO[C@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)c1 ZINC000216760414 570305639 /nfs/dbraw/zinc/30/56/39/570305639.db2.gz DDZSEBXSDSTNNK-IBGZPJMESA-N 0 0 388.393 4.189 40 70 GIIBRN Cc1ccc(S[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000218143933 570326339 /nfs/dbraw/zinc/32/63/39/570326339.db2.gz JRSSEKZRFLBVJW-ZDUSSCGKSA-N 0 0 387.892 4.495 40 70 GIIBRN COc1cccc(CCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 ZINC000218709928 570339386 /nfs/dbraw/zinc/33/93/86/570339386.db2.gz AFNGIBCREUVQCL-INIZCTEOSA-N 0 0 375.896 4.482 40 70 GIIBRN Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c1 ZINC000217993892 208833207 /nfs/dbraw/zinc/83/32/07/208833207.db2.gz NJNAXXGYDRIMCK-CYBMUJFWSA-N 0 0 387.892 4.495 40 70 GIIBRN Cc1ccc(CSCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218025533 208833668 /nfs/dbraw/zinc/83/36/68/208833668.db2.gz LEVJTGJDSVNBNC-UHFFFAOYSA-N 0 0 387.892 4.248 40 70 GIIBRN CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccc(Br)cc2)c1 ZINC000216713662 136203252 /nfs/dbraw/zinc/20/32/52/136203252.db2.gz SOOIQCZMPBJXRZ-LJQANCHMSA-N 0 0 396.288 4.460 40 70 GIIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1cccc(Cl)c1 ZINC000218040639 570324375 /nfs/dbraw/zinc/32/43/75/570324375.db2.gz NOLDPXDUVUSWFG-UHFFFAOYSA-N 0 0 393.921 4.343 40 70 GIIBRN COc1ccc(OC[C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000218035488 570324420 /nfs/dbraw/zinc/32/44/20/570324420.db2.gz HTJBBADYQBOMGP-CQSZACIVSA-N 0 0 379.909 4.166 40 70 GIIBRN Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000218151681 570326450 /nfs/dbraw/zinc/32/64/50/570326450.db2.gz GLEWGIMFRIUIRO-UHFFFAOYSA-N 0 0 381.501 4.494 40 70 GIIBRN COc1cccc2cc(C(=O)NCc3nc(-c4ccccc4Cl)no3)oc21 ZINC000218618936 570338149 /nfs/dbraw/zinc/33/81/49/570338149.db2.gz LXXUCWBSZHINKH-UHFFFAOYSA-N 0 0 383.791 4.075 40 70 GIIBRN COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000218749644 570340350 /nfs/dbraw/zinc/34/03/50/570340350.db2.gz BAAZAZMMTFBRFF-INIZCTEOSA-N 0 0 375.424 4.332 40 70 GIIBRN COc1ccc(/C=C/C(=O)NCCCc2ccc(OC(C)C)cc2)cc1OC ZINC000217923607 208832069 /nfs/dbraw/zinc/83/20/69/208832069.db2.gz NBBLCIPBGNIZON-GXDHUFHOSA-N 0 0 383.488 4.253 40 70 GIIBRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000218681335 208838268 /nfs/dbraw/zinc/83/82/68/208838268.db2.gz NPRNDOBSUCHZEN-LLVKDONJSA-N 0 0 392.242 4.127 40 70 GIIBRN CCOc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccc(OC)cc2)c1 ZINC000216745095 570305484 /nfs/dbraw/zinc/30/54/84/570305484.db2.gz DPUQVYUKEDKLND-HSZRJFAPSA-N 0 0 378.472 4.416 40 70 GIIBRN O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc(Cl)c1 ZINC000217854079 570322059 /nfs/dbraw/zinc/32/20/59/570322059.db2.gz JIOWGCNCBFWYCD-UHFFFAOYSA-N 0 0 392.640 4.083 40 70 GIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000217925401 570322834 /nfs/dbraw/zinc/32/28/34/570322834.db2.gz OMOYSKYZWAGKAB-DBEXCURXSA-N 0 0 397.471 4.144 40 70 GIIBRN Cc1ccc(-c2noc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)n2)cc1 ZINC000218106790 570325403 /nfs/dbraw/zinc/32/54/03/570325403.db2.gz ZGQBRQJWUFDRNO-XSFVSMFZSA-N 0 0 385.423 4.495 40 70 GIIBRN COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000218710348 570339412 /nfs/dbraw/zinc/33/94/12/570339412.db2.gz UVBSTHQDSAAUEF-CVEARBPZSA-N 0 0 391.895 4.316 40 70 GIIBRN Cc1ccc(OCCCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000218733390 570340058 /nfs/dbraw/zinc/34/00/58/570340058.db2.gz QMEBIGUPIJVEMO-UHFFFAOYSA-N 0 0 385.851 4.174 40 70 GIIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000218758610 570340767 /nfs/dbraw/zinc/34/07/67/570340767.db2.gz AGJLERFLNSOKEJ-PMACEKPBSA-N 0 0 399.487 4.280 40 70 GIIBRN COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000217925198 570322762 /nfs/dbraw/zinc/32/27/62/570322762.db2.gz UCVYIQZSJXGVHC-DBEXCURXSA-N 0 0 397.471 4.144 40 70 GIIBRN Cc1ccc(SCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000217979516 570323118 /nfs/dbraw/zinc/32/31/18/570323118.db2.gz MQTSZZPXPXGMRC-UHFFFAOYSA-N 0 0 387.892 4.449 40 70 GIIBRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1 ZINC000217994141 570323454 /nfs/dbraw/zinc/32/34/54/570323454.db2.gz BPLJELQAUDLUKD-ZDUSSCGKSA-N 0 0 387.892 4.495 40 70 GIIBRN O=C(CN1C(=O)c2cccc3cccc1c23)NCCCc1ccc(Cl)cc1 ZINC000218316079 570331201 /nfs/dbraw/zinc/33/12/01/570331201.db2.gz LZEGVLBBGMOVHQ-UHFFFAOYSA-N 0 0 378.859 4.202 40 70 GIIBRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000218663829 570338581 /nfs/dbraw/zinc/33/85/81/570338581.db2.gz QMVYGVYHDYUIAG-IAGOWNOFSA-N 0 0 385.504 4.344 40 70 GIIBRN COc1cc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OC(C)C ZINC000218673187 570338955 /nfs/dbraw/zinc/33/89/55/570338955.db2.gz JGJJWDGOWOAQMO-AWEZNQCLSA-N 0 0 377.868 4.220 40 70 GIIBRN Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3)no2)cc(C)c1Cl ZINC000218716574 570339739 /nfs/dbraw/zinc/33/97/39/570339739.db2.gz PQWUYMHEKCOJQH-AWEZNQCLSA-N 0 0 385.851 4.091 40 70 GIIBRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)/C=C/c1ccccc1 ZINC000217886368 208832352 /nfs/dbraw/zinc/83/23/52/208832352.db2.gz NEBJAIYYHJHQHD-ZHACJKMWSA-N 0 0 398.260 4.171 40 70 GIIBRN Cc1ccc(SCCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000218151234 208833191 /nfs/dbraw/zinc/83/31/91/208833191.db2.gz BEFFXKCILDCBCO-UHFFFAOYSA-N 0 0 387.892 4.497 40 70 GIIBRN Cc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)cc1C ZINC000218214490 208834483 /nfs/dbraw/zinc/83/44/83/208834483.db2.gz KSFYFOIHYXKZIG-CYBMUJFWSA-N 0 0 379.241 4.399 40 70 GIIBRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000218710033 208837530 /nfs/dbraw/zinc/83/75/30/208837530.db2.gz JOEFJKFRMPAHEP-MRXNPFEDSA-N 0 0 375.896 4.482 40 70 GIIBRN COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000218042004 570324464 /nfs/dbraw/zinc/32/44/64/570324464.db2.gz JRTKZHUWZGWOHC-CQSZACIVSA-N 0 0 379.909 4.166 40 70 GIIBRN COc1cc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc(OC)c1OC ZINC000218128439 570325655 /nfs/dbraw/zinc/32/56/55/570325655.db2.gz MQYSIJMKDQYMHL-MRXNPFEDSA-N 0 0 385.460 4.053 40 70 GIIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000218758574 570340637 /nfs/dbraw/zinc/34/06/37/570340637.db2.gz AGJLERFLNSOKEJ-VQTJNVASSA-N 0 0 399.487 4.280 40 70 GIIBRN COc1ccc(-c2noc(CNC(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000218542763 208838208 /nfs/dbraw/zinc/83/82/08/208838208.db2.gz ZWNXCDYNMMLETM-UHFFFAOYSA-N 0 0 393.487 4.292 40 70 GIIBRN CSc1nc(Nc2ccc(Cl)cc2Cl)cc(N2CCN(C)CC2)n1 ZINC000216851560 136203120 /nfs/dbraw/zinc/20/31/20/136203120.db2.gz BIWQBMCGTUVLNE-UHFFFAOYSA-N 0 0 384.336 4.001 40 70 GIIBRN Fc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C(F)(F)F)c3)nn2)cc1 ZINC000216771612 570305879 /nfs/dbraw/zinc/30/58/79/570305879.db2.gz HMCCXWWWMODPRT-GOSISDBHSA-N 0 0 392.356 4.020 40 70 GIIBRN COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OC ZINC000217924838 570322691 /nfs/dbraw/zinc/32/26/91/570322691.db2.gz UJGJXQCKFBRDKF-VEGGFIAOSA-N 0 0 381.472 4.444 40 70 GIIBRN Cc1ccc(-c2noc(CNC(=O)CSCc3cccc(Cl)c3)n2)cc1 ZINC000218039191 570324461 /nfs/dbraw/zinc/32/44/61/570324461.db2.gz OPYRESSIHCFZLA-UHFFFAOYSA-N 0 0 387.892 4.248 40 70 GIIBRN Cc1ccc(-c2noc(CNC(=O)CSCc3ccc(Cl)cc3)n2)cc1 ZINC000218045515 570324763 /nfs/dbraw/zinc/32/47/63/570324763.db2.gz MZWHGBWLIYSCBF-UHFFFAOYSA-N 0 0 387.892 4.248 40 70 GIIBRN Cc1cccc(-c2noc(CNC(=O)CCSc3ccc(Cl)cc3)n2)c1 ZINC000218090503 570325049 /nfs/dbraw/zinc/32/50/49/570325049.db2.gz APEBBONEVGQCTQ-UHFFFAOYSA-N 0 0 387.892 4.497 40 70 GIIBRN COc1cccc2cc(C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)oc21 ZINC000218619857 570338145 /nfs/dbraw/zinc/33/81/45/570338145.db2.gz ZLLSIXXFXVOERH-UHFFFAOYSA-N 0 0 397.818 4.417 40 70 GIIBRN COc1cccc2cc(C(=O)N(C)Cc3nc(-c4ccccc4Cl)no3)oc21 ZINC000218619746 570338292 /nfs/dbraw/zinc/33/82/92/570338292.db2.gz ZXNRMUMXBXUFFG-UHFFFAOYSA-N 0 0 397.818 4.417 40 70 GIIBRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000218671094 570339048 /nfs/dbraw/zinc/33/90/48/570339048.db2.gz KVKRKQPCLLXNOK-INIZCTEOSA-N 0 0 393.487 4.460 40 70 GIIBRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000218671018 211761032 /nfs/dbraw/zinc/76/10/32/211761032.db2.gz KVKRKQPCLLXNOK-MRXNPFEDSA-N 0 0 393.487 4.460 40 70 GIIBRN COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)CC(C)(C)O2 ZINC000217925277 211754948 /nfs/dbraw/zinc/75/49/48/211754948.db2.gz UCVYIQZSJXGVHC-JGZYNSJSSA-N 0 0 397.471 4.144 40 70 GIIBRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)SCc3ccccc3)n2)c1 ZINC000218074467 211754434 /nfs/dbraw/zinc/75/44/34/211754434.db2.gz LWYPNFGTELTKFZ-INIZCTEOSA-N 0 0 381.501 4.325 40 70 GIIBRN O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(c2ccccc2F)CC1 ZINC000218098428 136203537 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/nfs/dbraw/zinc/32/33/79/570323379.db2.gz JGLQYGDRLGUBID-KGLIPLIRSA-N 0 0 379.909 4.413 40 70 GIIBRN CN(CCCNC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 ZINC000218206324 570327857 /nfs/dbraw/zinc/32/78/57/570327857.db2.gz RVQZNFINXHXPDB-UHFFFAOYSA-N 0 0 380.916 4.355 40 70 GIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc2cccc(OC)c2o1 ZINC000218617414 570338253 /nfs/dbraw/zinc/33/82/53/570338253.db2.gz FQTAIEKWIBUEEY-INIZCTEOSA-N 0 0 381.428 4.482 40 70 GIIBRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000218679851 570338892 /nfs/dbraw/zinc/33/88/92/570338892.db2.gz RQIHFPQFCQKKQY-DYVFJYSZSA-N 0 0 377.868 4.392 40 70 GIIBRN COc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218709660 570339334 /nfs/dbraw/zinc/33/93/34/570339334.db2.gz OBFSVEGJLFZSDA-MRXNPFEDSA-N 0 0 375.896 4.482 40 70 GIIBRN COc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 ZINC000218741551 211762832 /nfs/dbraw/zinc/76/28/32/211762832.db2.gz ZEBGMGNNNFCVHB-FQEVSTJZSA-N 0 0 399.487 4.281 40 70 GIIBRN 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CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000218758374 570340667 /nfs/dbraw/zinc/34/06/67/570340667.db2.gz HEPIMKODJMKKHB-VQTJNVASSA-N 0 0 399.487 4.280 40 70 GIIBRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000218679916 211760940 /nfs/dbraw/zinc/76/09/40/211760940.db2.gz RQIHFPQFCQKKQY-SUMWQHHRSA-N 0 0 377.868 4.392 40 70 GIIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1Br ZINC000218222217 211757522 /nfs/dbraw/zinc/75/75/22/211757522.db2.gz YAKNMGPNUINWQM-INIZCTEOSA-N 0 0 390.277 4.490 40 70 GIIBRN C[C@H](SCc1ccccc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000218074084 211755967 /nfs/dbraw/zinc/75/59/67/211755967.db2.gz DLVVUFNPJUXOJU-ZDUSSCGKSA-N 0 0 387.892 4.328 40 70 GIIBRN CCOc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccc(OC)cc3)c2)cc1 ZINC000216744252 570305131 /nfs/dbraw/zinc/30/51/31/570305131.db2.gz NSOAYWBNGHUORO-QHCPKHFHSA-N 0 0 378.472 4.416 40 70 GIIBRN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(Br)cc1)CC(C)(C)O2 ZINC000217869942 570322101 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COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(OC)c1OC ZINC000218186769 570327133 /nfs/dbraw/zinc/32/71/33/570327133.db2.gz HOTUYHXJIVECNV-HVJHFUJKSA-N 0 0 397.471 4.144 40 70 GIIBRN COc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 ZINC000218741686 570339937 /nfs/dbraw/zinc/33/99/37/570339937.db2.gz JHZSIZOTNUIMBW-FQEVSTJZSA-N 0 0 399.487 4.281 40 70 GIIBRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(OC)cc1 ZINC000218756924 570340384 /nfs/dbraw/zinc/34/03/84/570340384.db2.gz FGBUPCSZALRVPB-OAQYLSRUSA-N 0 0 385.504 4.390 40 70 GIIBRN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218452454 211758598 /nfs/dbraw/zinc/75/85/98/211758598.db2.gz SNYDJPQLVKUFPD-OAHLLOKOSA-N 0 0 392.496 4.051 40 70 GIIBRN COc1cccc2cc(C(=O)N(C)Cc3nc(-c4ccc(C)cc4)no3)oc21 ZINC000218619360 211760456 /nfs/dbraw/zinc/76/04/56/211760456.db2.gz VERFVUWFXPRTLL-UHFFFAOYSA-N 0 0 377.400 4.072 40 70 GIIBRN CSc1nc(Nc2ccc(Cl)c(Cl)c2)cc(N2CCN(C)CC2)n1 ZINC000216851601 136203102 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222584295 /nfs/dbraw/zinc/58/42/95/222584295.db2.gz JOYIJJGKWLQORX-UHFFFAOYSA-N 0 0 387.892 4.282 40 70 GIIBRN COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000218663901 222589572 /nfs/dbraw/zinc/58/95/72/222589572.db2.gz QMVYGVYHDYUIAG-DLBZAZTESA-N 0 0 385.504 4.344 40 70 GIIBRN CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccccc2Br)c1 ZINC000216714581 136203178 /nfs/dbraw/zinc/20/31/78/136203178.db2.gz XLLLVCMOLPUKJF-LJQANCHMSA-N 0 0 396.288 4.460 40 70 GIIBRN CCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccc(OC)cc2)c1 ZINC000216745036 570305634 /nfs/dbraw/zinc/30/56/34/570305634.db2.gz DPUQVYUKEDKLND-QHCPKHFHSA-N 0 0 378.472 4.416 40 70 GIIBRN COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2 ZINC000217631865 570319557 /nfs/dbraw/zinc/31/95/57/570319557.db2.gz FYOQZXZMHZKLLH-NOKWSWOQSA-N 0 0 386.879 4.471 40 70 GIIBRN CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000217926017 570322678 /nfs/dbraw/zinc/32/26/78/570322678.db2.gz CNPPXIYZPHRGKL-UEICXMAYSA-N 0 0 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Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1 ZINC000218716753 222589627 /nfs/dbraw/zinc/58/96/27/222589627.db2.gz GDUKAXWEQBOFRG-OAHLLOKOSA-N 0 0 399.878 4.399 40 70 GIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc2cccc(OC)c2o1 ZINC000218617489 222589789 /nfs/dbraw/zinc/58/97/89/222589789.db2.gz FQTAIEKWIBUEEY-MRXNPFEDSA-N 0 0 381.428 4.482 40 70 GIIBRN CCOc1cc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@H](C4)[C@H]32)ccc1O ZINC000217628862 570319644 /nfs/dbraw/zinc/31/96/44/570319644.db2.gz DTEURNFLCFXMBC-CVGMDAAVSA-N 0 0 375.515 4.193 40 70 GIIBRN COc1cc(CNC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(C)C ZINC000217834333 570322029 /nfs/dbraw/zinc/32/20/29/570322029.db2.gz GYJKPIUFJZGJAB-UHFFFAOYSA-N 0 0 398.286 4.484 40 70 GIIBRN CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000217856822 570322088 /nfs/dbraw/zinc/32/20/88/570322088.db2.gz BHOHRBIJVKYKRJ-MRXNPFEDSA-N 0 0 386.300 4.278 40 70 GIIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)CSc1ccc(Cl)cc1 ZINC000217985052 570323422 /nfs/dbraw/zinc/32/34/22/570323422.db2.gz FYANAKSCYSDJDL-UHFFFAOYSA-N 0 0 379.894 4.202 40 70 GIIBRN COc1ccc(CCCNC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000218201191 570327621 /nfs/dbraw/zinc/32/76/21/570327621.db2.gz ACPOVZLIPBDIDC-UHFFFAOYSA-N 0 0 381.900 4.470 40 70 GIIBRN COc1ccc(OC[C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000218201355 570327656 /nfs/dbraw/zinc/32/76/56/570327656.db2.gz FDIUSUGRFYOQTG-ZDUSSCGKSA-N 0 0 397.899 4.305 40 70 GIIBRN Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCCC1 ZINC000218508468 570335892 /nfs/dbraw/zinc/33/58/92/570335892.db2.gz UTMLYYOPEDUIDA-UHFFFAOYSA-N 0 0 386.517 4.155 40 70 GIIBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000218756203 570340359 /nfs/dbraw/zinc/34/03/59/570340359.db2.gz GFQUDFMEBUNKRU-JOCHJYFZSA-N 0 0 385.504 4.389 40 70 GIIBRN COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217832263 222583346 /nfs/dbraw/zinc/58/33/46/222583346.db2.gz FPUVBAJXIGTVOG-QGZVFWFLSA-N 0 0 375.852 4.146 40 70 GIIBRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000217987141 222584252 /nfs/dbraw/zinc/58/42/52/222584252.db2.gz JGLQYGDRLGUBID-ZIAGYGMSSA-N 0 0 379.909 4.413 40 70 GIIBRN COc1cccc(CCCNC(=O)CSCc2c(F)cccc2Cl)c1 ZINC000218201082 222586156 /nfs/dbraw/zinc/58/61/56/222586156.db2.gz XDAMPOAOUCQKND-UHFFFAOYSA-N 0 0 381.900 4.470 40 70 GIIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)cc1 ZINC000217832450 570322118 /nfs/dbraw/zinc/32/21/18/570322118.db2.gz IDQPFJFGRJSICK-QGZVFWFLSA-N 0 0 375.852 4.146 40 70 GIIBRN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)CC(C)(C)O2 ZINC000217869902 570322131 /nfs/dbraw/zinc/32/21/31/570322131.db2.gz ZRFBBRYFWSJVGI-INIZCTEOSA-N 0 0 390.277 4.490 40 70 GIIBRN CC[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000217902980 570322424 /nfs/dbraw/zinc/32/24/24/570322424.db2.gz OSKIJIGIHHHICN-LVMGUKCRSA-N 0 0 377.893 4.024 40 70 GIIBRN CC[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000217983562 570323469 /nfs/dbraw/zinc/32/34/69/570323469.db2.gz QYRQBTZDELEZAB-QGZVFWFLSA-N 0 0 397.949 4.103 40 70 GIIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1cccc(Cl)c1 ZINC000218039869 570324405 /nfs/dbraw/zinc/32/44/05/570324405.db2.gz KPFRWXPHJJSIJM-UHFFFAOYSA-N 0 0 387.892 4.282 40 70 GIIBRN CCCOc1ccccc1CCCNC(=O)CCCOc1ccc(OC)cc1 ZINC000218740754 570340055 /nfs/dbraw/zinc/34/00/55/570340055.db2.gz XVNRFSHEUCTSJR-UHFFFAOYSA-N 0 0 385.504 4.392 40 70 GIIBRN COc1cc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OC(C)C ZINC000218673115 222588602 /nfs/dbraw/zinc/58/86/02/222588602.db2.gz JGJJWDGOWOAQMO-CQSZACIVSA-N 0 0 377.868 4.220 40 70 GIIBRN Cc1ccc(CSCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000218025967 570324111 /nfs/dbraw/zinc/32/41/11/570324111.db2.gz VTFYJSGUIHXIJS-UHFFFAOYSA-N 0 0 381.501 4.245 40 70 GIIBRN Cc1ccc(-c2noc(CNC(=O)CSCc3ccccc3Cl)n2)cc1 ZINC000218032343 570324163 /nfs/dbraw/zinc/32/41/63/570324163.db2.gz SOFWQKAYDUWSFV-UHFFFAOYSA-N 0 0 387.892 4.248 40 70 GIIBRN COc1ccc(/C=C/C(=O)NCCCc2ccc(Cl)cc2)c(OC)c1OC ZINC000218185258 570327211 /nfs/dbraw/zinc/32/72/11/570327211.db2.gz UHBIWDWTIXNIOV-UKTHLTGXSA-N 0 0 389.879 4.128 40 70 GIIBRN CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(OC)cc1 ZINC000218756966 570340260 /nfs/dbraw/zinc/34/02/60/570340260.db2.gz FGBUPCSZALRVPB-NRFANRHFSA-N 0 0 385.504 4.390 40 70 GIIBRN COc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1 ZINC000216649695 222577721 /nfs/dbraw/zinc/57/77/21/222577721.db2.gz QQEHIGVBHWOBQX-GOSISDBHSA-N 0 0 377.444 4.073 40 70 GIIBRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000218452529 222587907 /nfs/dbraw/zinc/58/79/07/222587907.db2.gz SNYDJPQLVKUFPD-HNNXBMFYSA-N 0 0 392.496 4.051 40 70 GIIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000218682851 222588708 /nfs/dbraw/zinc/58/87/08/222588708.db2.gz BGGDMZOPIVZMSC-LBPRGKRZSA-N 0 0 391.880 4.268 40 70 GIIBRN Cc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C ZINC000218724009 222589224 /nfs/dbraw/zinc/58/92/24/222589224.db2.gz PBDNAWJJEHWNEU-UHFFFAOYSA-N 0 0 385.851 4.044 40 70 GIIBRN COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000217987383 570323424 /nfs/dbraw/zinc/32/34/24/570323424.db2.gz JGLQYGDRLGUBID-KBPBESRZSA-N 0 0 379.909 4.413 40 70 GIIBRN COc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218709744 570339388 /nfs/dbraw/zinc/33/93/88/570339388.db2.gz OBFSVEGJLFZSDA-INIZCTEOSA-N 0 0 375.896 4.482 40 70 GIIBRN Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc(C)c1Cl ZINC000218717643 570339625 /nfs/dbraw/zinc/33/96/25/570339625.db2.gz FABBKVGAXCKAAZ-HNNXBMFYSA-N 0 0 399.878 4.433 40 70 GIIBRN CCOc1cccc(-n2ccc([C@H]3OCCN3Cc3ccc(OC)cc3)c2)c1 ZINC000216745208 222577798 /nfs/dbraw/zinc/57/77/98/222577798.db2.gz DPQXPYPAOYMESL-HSZRJFAPSA-N 0 0 378.472 4.416 40 70 GIIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 ZINC000218756243 222590556 /nfs/dbraw/zinc/59/05/56/222590556.db2.gz GFQUDFMEBUNKRU-QFIPXVFZSA-N 0 0 385.504 4.389 40 70 GIIBRN COc1ccc(/C=C/C(=O)NCCCc2cccc(OC(C)C)c2)cc1OC ZINC000217923477 570322686 /nfs/dbraw/zinc/32/26/86/570322686.db2.gz MJOCCRNCZSHKSP-ACCUITESSA-N 0 0 383.488 4.253 40 70 GIIBRN CC(C)c1ccc(CCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000218077744 570324978 /nfs/dbraw/zinc/32/49/78/570324978.db2.gz KZVJNSSSGGXQHU-UHFFFAOYSA-N 0 0 380.532 4.005 40 70 GIIBRN CCOc1ccc(CNC(=O)CSCc2ccc(OC)cc2)cc1OCC ZINC000218112419 570325312 /nfs/dbraw/zinc/32/53/12/570325312.db2.gz ARNGZRYUKAZEND-UHFFFAOYSA-N 0 0 389.517 4.042 40 70 GIIBRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000218758417 570340795 /nfs/dbraw/zinc/34/07/95/570340795.db2.gz HEPIMKODJMKKHB-PMACEKPBSA-N 0 0 399.487 4.280 40 70 GIIBRN COc1ccccc1CCCNC(=O)CSCc1c(F)cccc1Cl ZINC000218200963 222586273 /nfs/dbraw/zinc/58/62/73/222586273.db2.gz XFMZVQNTJPINBA-UHFFFAOYSA-N 0 0 381.900 4.470 40 70 GIIBRN Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000218670018 222588813 /nfs/dbraw/zinc/58/88/13/222588813.db2.gz XUZXOKUICUVWOV-INIZCTEOSA-N 0 0 393.487 4.426 40 70 GIIBRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000218679990 222589407 /nfs/dbraw/zinc/58/94/07/222589407.db2.gz RQIHFPQFCQKKQY-GUYCJALGSA-N 0 0 377.868 4.392 40 70 GIIBRN CCOc1cc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4CC[C@H](C4)[C@H]32)ccc1O ZINC000217628948 570319535 /nfs/dbraw/zinc/31/95/35/570319535.db2.gz DTEURNFLCFXMBC-PNBWRZCUSA-N 0 0 375.515 4.193 40 70 GIIBRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)SCc3ccccc3)n2)cc1 ZINC000218075056 570324717 /nfs/dbraw/zinc/32/47/17/570324717.db2.gz AGHWHFVOTPGWAV-HNNXBMFYSA-N 0 0 397.500 4.026 40 70 GIIBRN COc1ccc(OC[C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000218087108 570325078 /nfs/dbraw/zinc/32/50/78/570325078.db2.gz LRZDFTWMMPINKT-AWEZNQCLSA-N 0 0 379.909 4.415 40 70 GIIBRN CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 ZINC000218116732 570325581 /nfs/dbraw/zinc/32/55/81/570325581.db2.gz WEUBTIYSBOQLPI-SFHVURJKSA-N 0 0 389.517 4.213 40 70 GIIBRN Cc1ccc(/C=C/C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000218182131 570327171 /nfs/dbraw/zinc/32/71/71/570327171.db2.gz YATMLLNHLJYGNQ-MDZDMXLPSA-N 0 0 398.260 4.137 40 70 GIIBRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000218679755 570339001 /nfs/dbraw/zinc/33/90/01/570339001.db2.gz RQIHFPQFCQKKQY-CXAGYDPISA-N 0 0 377.868 4.392 40 70 GIIBRN