smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(CCCNC(=O)c2c[nH]c3cccc(Br)c23)C[C@H](C)O1 ZINC000159537097 565208913 /nfs/dbraw/zinc/20/89/13/565208913.db2.gz CBXNMEPBUBQGIG-BETUJISGSA-N 0 1 394.313 3.160 10 70 GGIEMN NC(=O)CCN(Cc1nc2ccc(Br)cc2[nH]1)Cc1ccccc1 ZINC000160338010 565241443 /nfs/dbraw/zinc/24/14/43/565241443.db2.gz QKXWUZKYRKLNJW-UHFFFAOYSA-N 0 1 387.281 3.203 10 70 GGIEMN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ncc(-c2ccccc2Br)o1 ZINC000160530092 565249814 /nfs/dbraw/zinc/24/98/14/565249814.db2.gz XYMLLSTXVWOHKB-NEPJUHHUSA-N 0 1 378.270 3.190 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 ZINC000160586459 565251888 /nfs/dbraw/zinc/25/18/88/565251888.db2.gz KBNVLPMBTDVSIF-JTQLQIEISA-N 0 1 375.270 3.252 10 70 GGIEMN CC[C@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CCN1CCOC ZINC000160920363 565264085 /nfs/dbraw/zinc/26/40/85/565264085.db2.gz SISIDCDSRKGKCE-ZDUSSCGKSA-N 0 1 394.313 3.113 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)n[nH]1 ZINC000161376954 565282724 /nfs/dbraw/zinc/28/27/24/565282724.db2.gz OACRVAWEYBKUFX-DGCLKSJQSA-N 0 1 380.286 3.304 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2Br)n[nH]1 ZINC000161376832 565283265 /nfs/dbraw/zinc/28/32/65/565283265.db2.gz OACRVAWEYBKUFX-YPMHNXCESA-N 0 1 380.286 3.304 10 70 GGIEMN C[C@H]1CN(CCCNC(=O)c2c[nH]c3cccc(Br)c23)C[C@H](C)O1 ZINC000159537161 565209185 /nfs/dbraw/zinc/20/91/85/565209185.db2.gz CBXNMEPBUBQGIG-STQMWFEESA-N 0 1 394.313 3.160 10 70 GGIEMN NC(=O)C[C@H]1CCCCN1Cc1ncc(-c2ccccc2Br)o1 ZINC000159858061 565221033 /nfs/dbraw/zinc/22/10/33/565221033.db2.gz WMMSUMQHLJOAEP-GFCCVEGCSA-N 0 1 378.270 3.334 10 70 GGIEMN CCc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)n[nH]1 ZINC000159847320 565221441 /nfs/dbraw/zinc/22/14/41/565221441.db2.gz VMMWTDMPPHWXMG-BDJLRTHQSA-N 0 1 378.270 3.337 10 70 GGIEMN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)NCCCCN1CCOCC1 ZINC000160262923 565239124 /nfs/dbraw/zinc/23/91/24/565239124.db2.gz FPLIVHKITPXDRW-CQSZACIVSA-N 0 1 388.339 3.336 10 70 GGIEMN CC[C@@H]1CN(C(=O)c2c[nH]c3cccc(Br)c23)CCN1CCOC ZINC000160920237 565264416 /nfs/dbraw/zinc/26/44/16/565264416.db2.gz SISIDCDSRKGKCE-CYBMUJFWSA-N 0 1 394.313 3.113 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2Br)n[nH]1 ZINC000161108556 565273765 /nfs/dbraw/zinc/27/37/65/565273765.db2.gz ONBGWYFDDBMBTR-ONGXEEELSA-N 0 1 384.249 3.134 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cnn(-c3cccc(Br)c3)c2)n[nH]1 ZINC000161164358 565276573 /nfs/dbraw/zinc/27/65/73/565276573.db2.gz KXDJWLWENJNWGW-LLVKDONJSA-N 0 1 388.269 3.027 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)c2ccc(-n3cc(Br)cn3)cc2)n[nH]1 ZINC000161246124 565277705 /nfs/dbraw/zinc/27/77/05/565277705.db2.gz IJBCFMPLHBOAOV-NSHDSACASA-N 0 1 388.269 3.027 10 70 GGIEMN CC(C)(C)CNC(=O)C(C)(C)NCc1nc2ccc(Br)cc2[nH]1 ZINC000161349522 565282150 /nfs/dbraw/zinc/28/21/50/565282150.db2.gz IVRBRXOHDIGLJM-UHFFFAOYSA-N 0 1 381.318 3.356 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)CCCOc2cccc(Br)c2)n[nH]1 ZINC000161471918 565285657 /nfs/dbraw/zinc/28/56/57/565285657.db2.gz AONKPPLXENSCAT-LBPRGKRZSA-N 0 1 380.286 3.387 10 70 GGIEMN CCCOc1c(Br)cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159659148 565213904 /nfs/dbraw/zinc/21/39/04/565213904.db2.gz DRKJAFVDFHVMHW-JSGCOSHPSA-N 0 1 399.329 3.332 10 70 GGIEMN CC(C)N(CCc1nccs1)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000159816891 565219326 /nfs/dbraw/zinc/21/93/26/565219326.db2.gz WXJXCGUNGKLPNC-UHFFFAOYSA-N 0 1 381.929 3.245 10 70 GGIEMN Brc1ccc2nc(CN3CCC(OC[C@H]4CCOC4)CC3)[nH]c2c1 ZINC000161206808 565276151 /nfs/dbraw/zinc/27/61/51/565276151.db2.gz OAVRBAYRNCJBFK-ZDUSSCGKSA-N 0 1 394.313 3.343 10 70 GGIEMN CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161299476 565280217 /nfs/dbraw/zinc/28/02/17/565280217.db2.gz GVIWNJFLQVWDIZ-LBPRGKRZSA-N 0 1 390.709 3.023 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)n[nH]1 ZINC000161323840 565281120 /nfs/dbraw/zinc/28/11/20/565281120.db2.gz JAMASWRXZDQXFU-SNVBAGLBSA-N 0 1 388.269 3.232 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)c2cc(I)cc(C)c2C)n[nH]1 ZINC000161453747 565284839 /nfs/dbraw/zinc/28/48/39/565284839.db2.gz HIQCCSMPTCBPSY-JTQLQIEISA-N 0 1 397.260 3.301 10 70 GGIEMN C[C@@H]1CN(CCCNC(=O)c2c[nH]c3cccc(Br)c23)C[C@@H](C)O1 ZINC000159537283 565208874 /nfs/dbraw/zinc/20/88/74/565208874.db2.gz CBXNMEPBUBQGIG-CHWSQXEVSA-N 0 1 394.313 3.160 10 70 GGIEMN Cc1cccc2nc(CNC(=O)c3cc(Br)cnc3N(C)C)[nH]c21 ZINC000160315391 565240062 /nfs/dbraw/zinc/24/00/62/565240062.db2.gz IUYFTBJUQDYJMQ-UHFFFAOYSA-N 0 1 388.269 3.025 10 70 GGIEMN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ncc(-c2ccccc2Br)o1 ZINC000160530264 565249230 /nfs/dbraw/zinc/24/92/30/565249230.db2.gz XYMLLSTXVWOHKB-VXGBXAGGSA-N 0 1 378.270 3.190 10 70 GGIEMN CN(Cc1nc2ccc(Br)cc2[nH]1)Cc1nc(-c2cccnc2)no1 ZINC000160699699 565256734 /nfs/dbraw/zinc/25/67/34/565256734.db2.gz WVCPEHRULWUOIH-UHFFFAOYSA-N 0 1 399.252 3.402 10 70 GGIEMN COc1cc(OC)c(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1Br ZINC000161108407 565273589 /nfs/dbraw/zinc/27/35/89/565273589.db2.gz UIAKBZMHCOPPLK-SECBINFHSA-N 0 1 397.273 3.251 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)n[nH]1 ZINC000161108299 565274177 /nfs/dbraw/zinc/27/41/77/565274177.db2.gz ONBGWYFDDBMBTR-GXSJLCMTSA-N 0 1 384.249 3.134 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)c2cnn(-c3cccc(Br)c3)c2)n[nH]1 ZINC000161164496 565276039 /nfs/dbraw/zinc/27/60/39/565276039.db2.gz KXDJWLWENJNWGW-NSHDSACASA-N 0 1 388.269 3.027 10 70 GGIEMN Brc1ccc2nc(CN3CCC(OC[C@@H]4CCOC4)CC3)[nH]c2c1 ZINC000161206700 565276452 /nfs/dbraw/zinc/27/64/52/565276452.db2.gz OAVRBAYRNCJBFK-CYBMUJFWSA-N 0 1 394.313 3.343 10 70 GGIEMN CCC[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)N(C)C ZINC000161270836 565279479 /nfs/dbraw/zinc/27/94/79/565279479.db2.gz IMCGAMRFCIQUOX-OAHLLOKOSA-N 0 1 389.949 3.039 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)n[nH]1 ZINC000161323999 565281507 /nfs/dbraw/zinc/28/15/07/565281507.db2.gz JAMASWRXZDQXFU-JTQLQIEISA-N 0 1 388.269 3.232 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cc(I)cc(C)c2C)n[nH]1 ZINC000161453878 565285061 /nfs/dbraw/zinc/28/50/61/565285061.db2.gz HIQCCSMPTCBPSY-SNVBAGLBSA-N 0 1 397.260 3.301 10 70 GGIEMN C[C@@H](N1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1)C(F)(F)F ZINC000160021971 565227437 /nfs/dbraw/zinc/22/74/37/565227437.db2.gz ZWTKFRKEIXTNDV-SNVBAGLBSA-N 0 1 391.235 3.394 10 70 GGIEMN Cc1ccnc(N2CCN(Cc3nc4ccc(Br)cc4[nH]3)CC2)c1 ZINC000160295541 565240392 /nfs/dbraw/zinc/24/03/92/565240392.db2.gz LLDRNMVOXCSUAC-UHFFFAOYSA-N 0 1 386.297 3.351 10 70 GGIEMN O=C(CCc1nc2cc(Br)ccc2s1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160390300 565242663 /nfs/dbraw/zinc/24/26/63/565242663.db2.gz NBYWOYYIBWJQOU-BETUJISGSA-N 0 1 394.338 3.344 10 70 GGIEMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ncc(-c2ccccc2Br)o1 ZINC000160530128 565249804 /nfs/dbraw/zinc/24/98/04/565249804.db2.gz XYMLLSTXVWOHKB-RYUDHWBXSA-N 0 1 378.270 3.190 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)Cc2c[nH]c3cccc(Br)c23)n[nH]1 ZINC000160586332 565251726 /nfs/dbraw/zinc/25/17/26/565251726.db2.gz KBNVLPMBTDVSIF-SNVBAGLBSA-N 0 1 375.270 3.252 10 70 GGIEMN COC(=O)c1ncsc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000160793784 565259298 /nfs/dbraw/zinc/25/92/98/565259298.db2.gz BIRRQGDCUICGJK-ZETCQYMHSA-N 0 1 395.289 3.276 10 70 GGIEMN Brc1ccc2nc(CN3CCN(Cc4cccnc4)CC3)[nH]c2c1 ZINC000161162949 565275269 /nfs/dbraw/zinc/27/52/69/565275269.db2.gz WLAHBIACAUYXEJ-UHFFFAOYSA-N 0 1 386.297 3.038 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2Br)n[nH]1 ZINC000161376599 565283066 /nfs/dbraw/zinc/28/30/66/565283066.db2.gz OACRVAWEYBKUFX-AAEUAGOBSA-N 0 1 380.286 3.304 10 70 GGIEMN O=C(COc1ccc(C2SCCCS2)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159529294 565209389 /nfs/dbraw/zinc/20/93/89/565209389.db2.gz OPDUNXDHXCZZIE-IYBDPMFKSA-N 0 1 378.563 3.287 10 70 GGIEMN CS(=O)(=O)c1csc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000159575157 565210052 /nfs/dbraw/zinc/21/00/52/565210052.db2.gz AJLQKMIUPJTTCF-UHFFFAOYSA-N 0 1 389.380 3.299 10 70 GGIEMN COCCCOC1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000159802433 565219389 /nfs/dbraw/zinc/21/93/89/565219389.db2.gz UZRZKGDKEGMZGJ-UHFFFAOYSA-N 0 1 382.302 3.343 10 70 GGIEMN NC(=O)C[C@@H]1CCCCN1Cc1ncc(-c2ccccc2Br)o1 ZINC000159858192 565220976 /nfs/dbraw/zinc/22/09/76/565220976.db2.gz WMMSUMQHLJOAEP-LBPRGKRZSA-N 0 1 378.270 3.334 10 70 GGIEMN C[C@H](N1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1)C(F)(F)F ZINC000160021849 565227926 /nfs/dbraw/zinc/22/79/26/565227926.db2.gz ZWTKFRKEIXTNDV-JTQLQIEISA-N 0 1 391.235 3.394 10 70 GGIEMN Cc1cccc2nc(CNC(=O)c3ccccc3I)[nH]c21 ZINC000160244476 565237105 /nfs/dbraw/zinc/23/71/05/565237105.db2.gz IUWSLCRFWQONJA-UHFFFAOYSA-N 0 1 391.212 3.406 10 70 GGIEMN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)NCCCCN1CCOCC1 ZINC000160262811 565238681 /nfs/dbraw/zinc/23/86/81/565238681.db2.gz FPLIVHKITPXDRW-AWEZNQCLSA-N 0 1 388.339 3.336 10 70 GGIEMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ncc(-c2ccccc2Br)o1 ZINC000160530440 565248938 /nfs/dbraw/zinc/24/89/38/565248938.db2.gz XYMLLSTXVWOHKB-NWDGAFQWSA-N 0 1 378.270 3.190 10 70 GGIEMN COc1cc(OC)c(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1Br ZINC000161108517 565273319 /nfs/dbraw/zinc/27/33/19/565273319.db2.gz UIAKBZMHCOPPLK-VIFPVBQESA-N 0 1 397.273 3.251 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(-n3cc(Br)cn3)cc2)n[nH]1 ZINC000161246008 565278043 /nfs/dbraw/zinc/27/80/43/565278043.db2.gz IJBCFMPLHBOAOV-LLVKDONJSA-N 0 1 388.269 3.027 10 70 GGIEMN CCC[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)N(C)C ZINC000161270729 565278994 /nfs/dbraw/zinc/27/89/94/565278994.db2.gz IMCGAMRFCIQUOX-HNNXBMFYSA-N 0 1 389.949 3.039 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)n[nH]1 ZINC000161376710 565282584 /nfs/dbraw/zinc/28/25/84/565282584.db2.gz OACRVAWEYBKUFX-WCQYABFASA-N 0 1 380.286 3.304 10 70 GGIEMN COC(=O)c1ncsc1S(=O)(=O)NC1(c2ccccc2)CCCCC1 ZINC000161420863 565284445 /nfs/dbraw/zinc/28/44/45/565284445.db2.gz XBNQATUTDYJIRG-UHFFFAOYSA-N 0 1 380.491 3.068 10 70 GGIEMN CCc1cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)n[nH]1 ZINC000159846948 565220612 /nfs/dbraw/zinc/22/06/12/565220612.db2.gz VMMWTDMPPHWXMG-ZBEGNZNMSA-N 0 1 378.270 3.337 10 70 GGIEMN CC(C)N(CCCOc1ccc(S(C)(=O)=O)cc1)CCc1nccs1 ZINC000159858698 565221503 /nfs/dbraw/zinc/22/15/03/565221503.db2.gz RKORSDKCTZVIQJ-UHFFFAOYSA-N 0 1 382.551 3.269 10 70 GGIEMN COc1ccc(Cl)cc1CNC(=O)CN(CCc1nccs1)C(C)C ZINC000159903611 565223648 /nfs/dbraw/zinc/22/36/48/565223648.db2.gz BEAZSSWBDCFGDU-UHFFFAOYSA-N 0 1 381.929 3.374 10 70 GGIEMN Cc1cc(C[C@H](C)NC(=O)c2cn(-c3ccc(Br)cc3)cn2)n[nH]1 ZINC000160160018 565234365 /nfs/dbraw/zinc/23/43/65/565234365.db2.gz GRJBLFCIAMYESE-NSHDSACASA-N 0 1 388.269 3.027 10 70 GGIEMN O=C1CCCCN1C1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000160273897 565238642 /nfs/dbraw/zinc/23/86/42/565238642.db2.gz KQWBPSPWOKXYMS-UHFFFAOYSA-N 0 1 391.313 3.302 10 70 GGIEMN COc1ccc(Br)cc1CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160443249 565245745 /nfs/dbraw/zinc/24/57/45/565245745.db2.gz GNTSLFQUQAUESC-UHFFFAOYSA-N 0 1 391.225 3.325 10 70 GGIEMN CC[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000160784222 565259209 /nfs/dbraw/zinc/25/92/09/565259209.db2.gz STOSDDYJVBEPLJ-OAHLLOKOSA-N 0 1 379.302 3.479 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2Br)n[nH]1 ZINC000161108460 565273727 /nfs/dbraw/zinc/27/37/27/565273727.db2.gz ONBGWYFDDBMBTR-KOLCDFICSA-N 0 1 384.249 3.134 10 70 GGIEMN Brc1ccc2nc(CN3CCN(Cc4ccncc4)CC3)[nH]c2c1 ZINC000161154095 565274669 /nfs/dbraw/zinc/27/46/69/565274669.db2.gz AYTIAKCIRMFHSV-UHFFFAOYSA-N 0 1 386.297 3.038 10 70 GGIEMN O[C@H](C1CCN(CCCc2nc(-c3cccs3)no2)CC1)C(F)(F)F ZINC000161224549 565277715 /nfs/dbraw/zinc/27/77/15/565277715.db2.gz FQKFNFYZEPXFMX-CQSZACIVSA-N 0 1 375.416 3.366 10 70 GGIEMN O[C@@H](C1CCN(CCCc2nc(-c3cccs3)no2)CC1)C(F)(F)F ZINC000161224423 565277969 /nfs/dbraw/zinc/27/79/69/565277969.db2.gz FQKFNFYZEPXFMX-AWEZNQCLSA-N 0 1 375.416 3.366 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)CCCOc2cccc(Br)c2)n[nH]1 ZINC000161471798 565285524 /nfs/dbraw/zinc/28/55/24/565285524.db2.gz AONKPPLXENSCAT-GFCCVEGCSA-N 0 1 380.286 3.387 10 70 GGIEMN CCn1cnnc1C1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000159501876 565207854 /nfs/dbraw/zinc/20/78/54/565207854.db2.gz HXXPSMNZDUHBQV-UHFFFAOYSA-N 0 1 389.301 3.316 10 70 GGIEMN CCCOc1c(Br)cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159659025 565213972 /nfs/dbraw/zinc/21/39/72/565213972.db2.gz DRKJAFVDFHVMHW-GXTWGEPZSA-N 0 1 399.329 3.332 10 70 GGIEMN CC1(C)c2cc(S(=O)(=O)Nc3cc(Cl)c(Cl)cn3)ccc2NC1=O ZINC000159756513 565217737 /nfs/dbraw/zinc/21/77/37/565217737.db2.gz ZMPROYOBRIKTRB-UHFFFAOYSA-N 0 1 386.260 3.419 10 70 GGIEMN CC(C)N(CCc1nccs1)CC(=O)NCCOc1cccc(Cl)c1 ZINC000159800252 565219514 /nfs/dbraw/zinc/21/95/14/565219514.db2.gz VJHDAMCIUSLQET-UHFFFAOYSA-N 0 1 381.929 3.245 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)c2cn(-c3ccc(Br)cc3)cn2)n[nH]1 ZINC000160159890 565234341 /nfs/dbraw/zinc/23/43/41/565234341.db2.gz GRJBLFCIAMYESE-LLVKDONJSA-N 0 1 388.269 3.027 10 70 GGIEMN Cc1cccc2nc(CNC(=O)c3[nH]nc(C(C)C)c3Br)[nH]c21 ZINC000160287929 565240251 /nfs/dbraw/zinc/24/02/51/565240251.db2.gz DTJOTROVBKVPJN-UHFFFAOYSA-N 0 1 376.258 3.410 10 70 GGIEMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160637215 565254653 /nfs/dbraw/zinc/25/46/53/565254653.db2.gz XUPYBKYLZOYUFF-HBUWYVDXSA-N 0 1 381.314 3.403 10 70 GGIEMN COc1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1Br ZINC000160658222 565255764 /nfs/dbraw/zinc/25/57/64/565255764.db2.gz NMBAQTSZHXAGGM-UHFFFAOYSA-N 0 1 394.313 3.026 10 70 GGIEMN C[C@H](c1ccccc1)N(CC(N)=O)Cc1nc2ccc(Br)cc2[nH]1 ZINC000160695375 565256934 /nfs/dbraw/zinc/25/69/34/565256934.db2.gz GIXZQOXBVGXEPN-GFCCVEGCSA-N 0 1 387.281 3.374 10 70 GGIEMN CC[C@H](NCC(=O)Nc1ccc(Br)cc1)c1c(C)nn(C)c1C ZINC000160784088 565259791 /nfs/dbraw/zinc/25/97/91/565259791.db2.gz STOSDDYJVBEPLJ-HNNXBMFYSA-N 0 1 379.302 3.479 10 70 GGIEMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)n[nH]1 ZINC000161108193 565274252 /nfs/dbraw/zinc/27/42/52/565274252.db2.gz ONBGWYFDDBMBTR-MWLCHTKSSA-N 0 1 384.249 3.134 10 70 GGIEMN OC1(C(F)(F)F)CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000161181139 565276834 /nfs/dbraw/zinc/27/68/34/565276834.db2.gz OBOUWIQXSRCXLM-UHFFFAOYSA-N 0 1 378.192 3.215 10 70 GGIEMN CC[C@H](CO)N1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161299562 565280330 /nfs/dbraw/zinc/28/03/30/565280330.db2.gz GVIWNJFLQVWDIZ-GFCCVEGCSA-N 0 1 390.709 3.023 10 70 GGIEMN