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](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000374416469 380261184 /nfs/dbraw/zinc/26/11/84/380261184.db2.gz RBSZWLGBOZGHQH-MCIONIFRSA-N 1 2 330.454 -0.025 10 30 EBEELO C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000185192918 381080020 /nfs/dbraw/zinc/08/00/20/381080020.db2.gz KDBWMGAGNJOMHF-AWEZNQCLSA-N 1 2 342.399 -0.247 10 30 EBEELO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000189293492 381111684 /nfs/dbraw/zinc/11/16/84/381111684.db2.gz MZGCZXXESLPWDJ-CABCVRRESA-N 1 2 335.452 -0.111 10 30 EBEELO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000189293492 381111687 /nfs/dbraw/zinc/11/16/87/381111687.db2.gz MZGCZXXESLPWDJ-CABCVRRESA-N 1 2 335.452 -0.111 10 30 EBEELO Cc1noc([C@@H]2CN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CCN2C)n1 ZINC000329129013 381583372 /nfs/dbraw/zinc/58/33/72/381583372.db2.gz NRLGFPVKZBQJJE-STQMWFEESA-N 1 2 338.412 -0.089 10 30 EBEELO Cc1noc([C@@H]2CN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CCN2C)n1 ZINC000329129013 381583374 /nfs/dbraw/zinc/58/33/74/381583374.db2.gz NRLGFPVKZBQJJE-STQMWFEESA-N 1 2 338.412 -0.089 10 30 EBEELO Cc1nc([C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CCO2)no1 ZINC000329531155 381602354 /nfs/dbraw/zinc/60/23/54/381602354.db2.gz WGSOVFVPLVCVQL-NEPJUHHUSA-N 1 2 325.369 -0.004 10 30 EBEELO Cc1nc([C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CCO2)no1 ZINC000329531155 381602362 /nfs/dbraw/zinc/60/23/62/381602362.db2.gz WGSOVFVPLVCVQL-NEPJUHHUSA-N 1 2 325.369 -0.004 10 30 EBEELO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178960911 154123673 /nfs/dbraw/zinc/12/36/73/154123673.db2.gz LOMHKVRSWVKFDQ-AWEZNQCLSA-N 1 2 327.388 -0.079 10 30 EBEELO C[C@H](CNC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000329237424 545735243 /nfs/dbraw/zinc/73/52/43/545735243.db2.gz KGVFSLGQBIRQIO-ABAIWWIYSA-N 1 2 339.396 -0.548 10 30 EBEELO CCC(=O)N1CSC[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000328912784 545706639 /nfs/dbraw/zinc/70/66/39/545706639.db2.gz HMZVFGGTBKGHFN-NWDGAFQWSA-N 1 2 331.438 -0.053 10 30 EBEELO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000249040971 377338657 /nfs/dbraw/zinc/33/86/57/377338657.db2.gz MZGCZXXESLPWDJ-HUUCEWRRSA-N 1 2 335.452 -0.111 10 30 EBEELO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCNC(=O)[C@H]2C)CC1 ZINC000249040971 377338666 /nfs/dbraw/zinc/33/86/66/377338666.db2.gz MZGCZXXESLPWDJ-HUUCEWRRSA-N 1 2 335.452 -0.111 10 30 EBEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCN3CCCS3(=O)=O)C[C@H]21 ZINC000328891829 380815273 /nfs/dbraw/zinc/81/52/73/380815273.db2.gz SRYOJKNWSDYAMK-CHWSQXEVSA-N 1 2 346.453 -0.659 10 30 EBEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCN3CCCS3(=O)=O)C[C@H]21 ZINC000328891829 380815284 /nfs/dbraw/zinc/81/52/84/380815284.db2.gz SRYOJKNWSDYAMK-CHWSQXEVSA-N 1 2 346.453 -0.659 10 30 EBEELO CN1C(=O)N[C@]2(CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000329262836 381590991 /nfs/dbraw/zinc/59/09/91/381590991.db2.gz ZNSSFUYFURCDHL-YGRLFVJLSA-N 1 2 325.369 -0.939 10 30 EBEELO CN1C(=O)N[C@]2(CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000329262836 381590998 /nfs/dbraw/zinc/59/09/98/381590998.db2.gz ZNSSFUYFURCDHL-YGRLFVJLSA-N 1 2 325.369 -0.939 10 30 EBEELO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191129422 381117308 /nfs/dbraw/zinc/11/73/08/381117308.db2.gz ZZLXFCMENGIOQP-OAHLLOKOSA-N 1 2 335.452 -0.157 10 30 EBEELO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191129422 381117319 /nfs/dbraw/zinc/11/73/19/381117319.db2.gz ZZLXFCMENGIOQP-OAHLLOKOSA-N 1 2 335.452 -0.157 10 30 EBEELO C[C@H](CNC(=O)N1CCc2c(ncn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000330116133 545778303 /nfs/dbraw/zinc/77/83/03/545778303.db2.gz UYXMUIHZTNAHIQ-GFCCVEGCSA-N 1 2 335.408 -0.227 10 30 EBEELO N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000151504576 381037448 /nfs/dbraw/zinc/03/74/48/381037448.db2.gz NDMAFONZRHHEAK-HNNXBMFYSA-N 1 2 327.388 -0.596 10 30 EBEELO CC(C)(C)n1cnc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000329761657 545745547 /nfs/dbraw/zinc/74/55/47/545745547.db2.gz RRXYAKWXRMHFHW-LLVKDONJSA-N 1 2 326.401 0.052 10 30 EBEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC(=O)N3CCOCC3)C[C@@H]21 ZINC000328897189 380815969 /nfs/dbraw/zinc/81/59/69/380815969.db2.gz WBATVIIQVJWRIW-QWHCGFSZSA-N 1 2 326.397 -0.836 10 30 EBEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC(=O)N3CCOCC3)C[C@@H]21 ZINC000328897189 380815978 /nfs/dbraw/zinc/81/59/78/380815978.db2.gz WBATVIIQVJWRIW-QWHCGFSZSA-N 1 2 326.397 -0.836 10 30 EBEELO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868979 381248659 /nfs/dbraw/zinc/24/86/59/381248659.db2.gz PISQAVHURRDOQW-UHFFFAOYSA-N 1 2 334.424 -0.060 10 30 EBEELO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105868979 381248669 /nfs/dbraw/zinc/24/86/69/381248669.db2.gz PISQAVHURRDOQW-UHFFFAOYSA-N 1 2 334.424 -0.060 10 30 EBEELO Cc1nc2c(cnn2C)c(N2CC[NH+](CC(=O)NCC#N)CC2)n1 ZINC000108867770 377520830 /nfs/dbraw/zinc/52/08/30/377520830.db2.gz APXGRMABJGJEAM-UHFFFAOYSA-N 1 2 328.380 -0.567 10 30 EBEELO C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000374416470 380261075 /nfs/dbraw/zinc/26/10/75/380261075.db2.gz RBSZWLGBOZGHQH-MGPQQGTHSA-N 1 2 330.454 -0.025 10 30 EBEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCN3CCNC(=O)C3)C[C@@H]21 ZINC000329074332 381581799 /nfs/dbraw/zinc/58/17/99/381581799.db2.gz PENFCIBZNOIILD-QWHCGFSZSA-N 1 2 325.413 -0.423 10 30 EBEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCN3CCNC(=O)C3)C[C@@H]21 ZINC000329074332 381581807 /nfs/dbraw/zinc/58/18/07/381581807.db2.gz PENFCIBZNOIILD-QWHCGFSZSA-N 1 2 325.413 -0.423 10 30 EBEELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329465352 381599905 /nfs/dbraw/zinc/59/99/05/381599905.db2.gz VLLCMHATDLCQLZ-HZSPNIEDSA-N 1 2 341.408 -0.320 10 30 EBEELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329465352 381599913 /nfs/dbraw/zinc/59/99/13/381599913.db2.gz VLLCMHATDLCQLZ-HZSPNIEDSA-N 1 2 341.408 -0.320 10 30 EBEELO Cn1cc(CN2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)cn1 ZINC000329192596 381586044 /nfs/dbraw/zinc/58/60/44/381586044.db2.gz SXTZRJWWRHXRKJ-OAHLLOKOSA-N 1 2 336.440 -0.218 10 30 EBEELO Cn1cc(CN2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)cn1 ZINC000329192596 381586049 /nfs/dbraw/zinc/58/60/49/381586049.db2.gz SXTZRJWWRHXRKJ-OAHLLOKOSA-N 1 2 336.440 -0.218 10 30 EBEELO CCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000328825563 380812430 /nfs/dbraw/zinc/81/24/30/380812430.db2.gz RWRGBVRBRHDNLU-ZDUSSCGKSA-N 1 2 348.469 -0.365 10 30 EBEELO CCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000328825563 380812438 /nfs/dbraw/zinc/81/24/38/380812438.db2.gz RWRGBVRBRHDNLU-ZDUSSCGKSA-N 1 2 348.469 -0.365 10 30 EBEELO Cc1cccc(NC(=O)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1C#N ZINC000178961117 154122744 /nfs/dbraw/zinc/12/27/44/154122744.db2.gz KBZIWJQABFZORY-CYBMUJFWSA-N 1 2 327.388 -0.079 10 30 EBEELO C#CC[NH+]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000101694565 584038782 /nfs/dbraw/zinc/03/87/82/584038782.db2.gz UEQXCEFNBKFUEV-UHFFFAOYSA-N 1 2 326.356 -0.533 10 30 EBEELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000329096739 381583225 /nfs/dbraw/zinc/58/32/25/381583225.db2.gz BXLOLLOQNXVZOA-ZIAGYGMSSA-N 1 2 340.424 -0.446 10 30 EBEELO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000329096739 381583231 /nfs/dbraw/zinc/58/32/31/381583231.db2.gz BXLOLLOQNXVZOA-ZIAGYGMSSA-N 1 2 340.424 -0.446 10 30 EBEELO Cc1cc(N2CCN(C(=O)Cn3cnnn3)CC2)c(C#N)c(C)[nH+]1 ZINC000301753838 155170073 /nfs/dbraw/zinc/17/00/73/155170073.db2.gz CDZSSHBHXMXDOW-UHFFFAOYSA-N 1 2 326.364 -0.095 10 30 EBEELO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCNC(=O)C1 ZINC000328803734 649996598 /nfs/dbraw/zinc/99/65/98/649996598.db2.gz HBTJTSKJQQQNSC-UHFFFAOYSA-N 1 2 333.396 -0.215 10 30 EBEELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000329100906 381584140 /nfs/dbraw/zinc/58/41/40/381584140.db2.gz MTETXZGSLWONDT-NWDGAFQWSA-N 1 2 334.442 -0.755 10 30 EBEELO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000329100906 381584149 /nfs/dbraw/zinc/58/41/49/381584149.db2.gz MTETXZGSLWONDT-NWDGAFQWSA-N 1 2 334.442 -0.755 10 30 EBEELO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178962338 154123516 /nfs/dbraw/zinc/12/35/16/154123516.db2.gz HNCULRYRGQKTQK-CQSZACIVSA-N 1 2 327.388 -0.079 10 30 EBEELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000329100907 381583258 /nfs/dbraw/zinc/58/32/58/381583258.db2.gz MTETXZGSLWONDT-VXGBXAGGSA-N 1 2 334.442 -0.755 10 30 EBEELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000329100907 381583264 /nfs/dbraw/zinc/58/32/64/381583264.db2.gz MTETXZGSLWONDT-VXGBXAGGSA-N 1 2 334.442 -0.755 10 30 EBEELO C[N@@H+]1CCO[C@@H]2CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C[C@@H]21 ZINC000329197637 381585876 /nfs/dbraw/zinc/58/58/76/381585876.db2.gz UIQAXZYESDZDJN-IGQOVBAYSA-N 1 2 336.396 -0.463 10 30 EBEELO C[N@H+]1CCO[C@@H]2CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C[C@@H]21 ZINC000329197637 381585886 /nfs/dbraw/zinc/58/58/86/381585886.db2.gz UIQAXZYESDZDJN-IGQOVBAYSA-N 1 2 336.396 -0.463 10 30 EBEELO CC1(C)C(=O)NC(=O)N1CC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000328811005 545701734 /nfs/dbraw/zinc/70/17/34/545701734.db2.gz FAMXSNNEXXQYIN-JTQLQIEISA-N 1 2 328.369 -0.193 10 30 EBEELO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)[NH+]1CCOCC1 ZINC000329028262 545716867 /nfs/dbraw/zinc/71/68/67/545716867.db2.gz KMKAQFYWWDLTST-UPJWGTAASA-N 1 2 325.413 -0.077 10 30 EBEELO C[C@H](CNC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000329237430 545735711 /nfs/dbraw/zinc/73/57/11/545735711.db2.gz KGVFSLGQBIRQIO-IAQYHMDHSA-N 1 2 339.396 -0.548 10 30 EBEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCC(=O)N3CCOCC3)C[C@H]21 ZINC000328895796 380816752 /nfs/dbraw/zinc/81/67/52/380816752.db2.gz VKGAUTYVRAPEHK-ZIAGYGMSSA-N 1 2 340.424 -0.446 10 30 EBEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCC(=O)N3CCOCC3)C[C@H]21 ZINC000328895796 380816761 /nfs/dbraw/zinc/81/67/61/380816761.db2.gz VKGAUTYVRAPEHK-ZIAGYGMSSA-N 1 2 340.424 -0.446 10 30 EBEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC(=O)N3CCOCC3)C[C@H]21 ZINC000328897188 380817016 /nfs/dbraw/zinc/81/70/16/380817016.db2.gz WBATVIIQVJWRIW-CHWSQXEVSA-N 1 2 326.397 -0.836 10 30 EBEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC(=O)N3CCOCC3)C[C@H]21 ZINC000328897188 380817024 /nfs/dbraw/zinc/81/70/24/380817024.db2.gz WBATVIIQVJWRIW-CHWSQXEVSA-N 1 2 326.397 -0.836 10 30 EBEELO C[N@@H+]1CCO[C@@H]2CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C[C@H]21 ZINC000329197639 381586441 /nfs/dbraw/zinc/58/64/41/381586441.db2.gz UIQAXZYESDZDJN-REWJHTLYSA-N 1 2 336.396 -0.463 10 30 EBEELO C[N@H+]1CCO[C@@H]2CCN(C([O-])=[NH+][C@H]3COC[C@H]3n3ccnn3)C[C@H]21 ZINC000329197639 381586447 /nfs/dbraw/zinc/58/64/47/381586447.db2.gz UIQAXZYESDZDJN-REWJHTLYSA-N 1 2 336.396 -0.463 10 30 EBEELO CN1C(=O)N[C@@]2(CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)C1=O ZINC000329262833 381590697 /nfs/dbraw/zinc/59/06/97/381590697.db2.gz ZNSSFUYFURCDHL-QMTHXVAHSA-N 1 2 325.369 -0.939 10 30 EBEELO CN1C(=O)N[C@@]2(CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)C1=O ZINC000329262833 381590709 /nfs/dbraw/zinc/59/07/09/381590709.db2.gz ZNSSFUYFURCDHL-QMTHXVAHSA-N 1 2 325.369 -0.939 10 30 EBEELO CN(CCC#N)S(=O)(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000408387636 376882674 /nfs/dbraw/zinc/88/26/74/376882674.db2.gz XAYZXALKOSVWHS-LBPRGKRZSA-N 1 2 326.426 -0.201 10 30 EBEELO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178962348 154123459 /nfs/dbraw/zinc/12/34/59/154123459.db2.gz HNCULRYRGQKTQK-AWEZNQCLSA-N 1 2 327.388 -0.079 10 30 EBEELO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191129434 381118601 /nfs/dbraw/zinc/11/86/01/381118601.db2.gz ZZLXFCMENGIOQP-HNNXBMFYSA-N 1 2 335.452 -0.157 10 30 EBEELO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCN(C)C(=O)C2)CC1 ZINC000191129434 381118606 /nfs/dbraw/zinc/11/86/06/381118606.db2.gz ZZLXFCMENGIOQP-HNNXBMFYSA-N 1 2 335.452 -0.157 10 30 EBEELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329465353 381601040 /nfs/dbraw/zinc/60/10/40/381601040.db2.gz VLLCMHATDLCQLZ-MELADBBJSA-N 1 2 341.408 -0.320 10 30 EBEELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329465353 381601045 /nfs/dbraw/zinc/60/10/45/381601045.db2.gz VLLCMHATDLCQLZ-MELADBBJSA-N 1 2 341.408 -0.320 10 30 EBEELO CO[C@H]1C[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)N(S(C)(=O)=O)C1 ZINC000329880681 381698315 /nfs/dbraw/zinc/69/83/15/381698315.db2.gz NUFBVEIFAMFFDP-SDDRHHMPSA-N 1 2 335.426 -0.678 10 30 EBEELO CO[C@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)N(S(C)(=O)=O)C1 ZINC000329880681 381698328 /nfs/dbraw/zinc/69/83/28/381698328.db2.gz NUFBVEIFAMFFDP-SDDRHHMPSA-N 1 2 335.426 -0.678 10 30 EBEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCN3CCCS3(=O)=O)C[C@@H]21 ZINC000328891833 380817130 /nfs/dbraw/zinc/81/71/30/380817130.db2.gz SRYOJKNWSDYAMK-QWHCGFSZSA-N 1 2 346.453 -0.659 10 30 EBEELO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCN3CCCS3(=O)=O)C[C@@H]21 ZINC000328891833 380817137 /nfs/dbraw/zinc/81/71/37/380817137.db2.gz SRYOJKNWSDYAMK-QWHCGFSZSA-N 1 2 346.453 -0.659 10 30 EBEELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000329096733 381583659 /nfs/dbraw/zinc/58/36/59/381583659.db2.gz BXLOLLOQNXVZOA-KGLIPLIRSA-N 1 2 340.424 -0.446 10 30 EBEELO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000329096733 381583664 /nfs/dbraw/zinc/58/36/64/381583664.db2.gz BXLOLLOQNXVZOA-KGLIPLIRSA-N 1 2 340.424 -0.446 10 30 EBEELO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178960903 154122639 /nfs/dbraw/zinc/12/26/39/154122639.db2.gz LOMHKVRSWVKFDQ-CQSZACIVSA-N 1 2 327.388 -0.079 10 30 EBEELO C[C@@H](CNC(=O)N1CCc2c(ncn(C)c2=O)C1)[NH+]1CCOCC1 ZINC000330116134 545778201 /nfs/dbraw/zinc/77/82/01/545778201.db2.gz UYXMUIHZTNAHIQ-LBPRGKRZSA-N 1 2 335.408 -0.227 10 30 EBEELO CN(CCC#N)S(=O)(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000408387635 376721382 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C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000374416464 380260248 /nfs/dbraw/zinc/26/02/48/380260248.db2.gz RBSZWLGBOZGHQH-HZSPNIEDSA-N 1 2 330.454 -0.025 10 30 EBEELO N#CCc1ccc(NC(=O)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000178963135 381074368 /nfs/dbraw/zinc/07/43/68/381074368.db2.gz QAHXPGBPHBFJSA-HNNXBMFYSA-N 1 2 327.388 -0.193 10 30 EBEELO C#CCNC(=O)CNc1nc(NCC(=O)NCC#C)c(Cl)c[nH+]1 ZINC000302767289 382070408 /nfs/dbraw/zinc/07/04/08/382070408.db2.gz YXXVSNRNUVXBEW-UHFFFAOYSA-N 1 2 334.767 -0.547 10 30 EBEELO CC(C)(C)n1cnc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)n1 ZINC000329761658 545745791 /nfs/dbraw/zinc/74/57/91/545745791.db2.gz RRXYAKWXRMHFHW-NSHDSACASA-N 1 2 326.401 0.052 10 30 EBEELO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178957812 154123571 /nfs/dbraw/zinc/12/35/71/154123571.db2.gz PNPHFXVIFCZWGJ-ZDUSSCGKSA-N 1 2 331.351 -0.248 10 30 EBEELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCC(=O)N3CCOCC3)C[C@@H]21 ZINC000328895794 380816224 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