smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cnnc1[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000161275031 349413279 /nfs/dbraw/zinc/41/32/79/349413279.db2.gz RIUJMQNPCHUKFI-GFCCVEGCSA-N 1 0 236.363 2.133 10 70 BEIERO CCC[C@@H](C(=O)NCc1cccc(C)c1)[NH+](C)C ZINC000161451809 169345520 /nfs/dbraw/zinc/34/55/20/169345520.db2.gz YKEGDWXUMMSTJY-AWEZNQCLSA-N 1 0 248.370 2.342 10 70 BEIERO CCC[C@H](C(=O)N1CCc2ccccc21)[NH+](C)C ZINC000161169644 384469303 /nfs/dbraw/zinc/46/93/03/384469303.db2.gz IQKYUOKUOGYTKS-CQSZACIVSA-N 1 0 246.354 2.306 10 70 BEIERO CCC[C@H](C(=O)N[C@H]1CCC[C@H](C)C1)[NH+](C)C ZINC000161479919 387227482 /nfs/dbraw/zinc/22/74/82/387227482.db2.gz PEWYGBYEHUOAGR-RWMBFGLXSA-N 1 0 240.391 2.412 10 70 BEIERO C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)OCC1CC1 ZINC000159626052 388024147 /nfs/dbraw/zinc/02/41/47/388024147.db2.gz SWFKTEMQXZINNN-KGLIPLIRSA-N 1 0 239.359 2.056 10 70 BEIERO CCC[C@@H](C(=O)N1CCCCCC1)[NH+](C)C ZINC000161132120 323148903 /nfs/dbraw/zinc/14/89/03/323148903.db2.gz WCBHRNFDOUCUDS-LBPRGKRZSA-N 1 0 226.364 2.119 10 70 BEIERO CCC[C@@H](C(=O)NCc1ccccc1)[NH+](C)C ZINC000161139098 169345007 /nfs/dbraw/zinc/34/50/07/169345007.db2.gz RWZCOIOWWZSHLE-ZDUSSCGKSA-N 1 0 234.343 2.033 10 70 BEIERO CCC[C@@H](C(=O)NCc1ccccc1C)[NH+](C)C ZINC000161258994 169345482 /nfs/dbraw/zinc/34/54/82/169345482.db2.gz QTFPZASFGWROGV-AWEZNQCLSA-N 1 0 248.370 2.342 10 70 BEIERO CCSCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000160520930 384418565 /nfs/dbraw/zinc/41/85/65/384418565.db2.gz FHCRMTOYFZISGB-LBPRGKRZSA-N 1 0 239.388 2.310 10 70 BEIERO CCC[C@H](C(=O)NCc1ccccc1C)[NH+](C)C ZINC000161259124 384475885 /nfs/dbraw/zinc/47/58/85/384475885.db2.gz QTFPZASFGWROGV-CQSZACIVSA-N 1 0 248.370 2.342 10 70 BEIERO CCCCCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000161134240 323148983 /nfs/dbraw/zinc/14/89/83/323148983.db2.gz DGWJWADXUVWWJI-LLVKDONJSA-N 1 0 214.353 2.023 10 70 BEIERO CCCCCNC(=O)[C@H](CCC)[NH+](C)C ZINC000161134357 323149052 /nfs/dbraw/zinc/14/90/52/323149052.db2.gz DGWJWADXUVWWJI-NSHDSACASA-N 1 0 214.353 2.023 10 70 BEIERO COc1cccc(C[NH2+][C@@H]2C[C@@H]2C)c1F ZINC000160464615 488135905 /nfs/dbraw/zinc/13/59/05/488135905.db2.gz WQFQARUQKLNWOW-WCBMZHEXSA-N 1 0 209.264 2.332 10 70 BEIERO CCC[C@H](C(=O)NCc1ccc(C)cc1)[NH+](C)C ZINC000161202945 169467090 /nfs/dbraw/zinc/46/70/90/169467090.db2.gz ZAMZNZNSYUQZAE-CQSZACIVSA-N 1 0 248.370 2.342 10 70 BEIERO CCC[C@H](C(=O)Nc1ccccc1)[NH+](C)C ZINC000161142438 384466026 /nfs/dbraw/zinc/46/60/26/384466026.db2.gz ZNYAGPLEKOESAS-GFCCVEGCSA-N 1 0 220.316 2.355 10 70 BEIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC1(C)C ZINC000161328441 387191640 /nfs/dbraw/zinc/19/16/40/387191640.db2.gz AXCXBTJMWPZHQJ-VXGBXAGGSA-N 1 0 240.391 2.125 10 70 BEIERO CC[C@](C)(O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000160652814 388080684 /nfs/dbraw/zinc/08/06/84/388080684.db2.gz HFJMVQOMRZGWQJ-AWEZNQCLSA-N 1 0 243.391 2.284 10 70 BEIERO CO[C@H]1CCC[C@@H]([NH2+]C[C@@H](C)N2CCCC2)C1 ZINC000161194856 174880903 /nfs/dbraw/zinc/88/09/03/174880903.db2.gz JYLBJCPYRIXGRG-MCIONIFRSA-N 1 0 240.391 2.018 10 70 BEIERO CCC[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161156134 323149434 /nfs/dbraw/zinc/14/94/34/323149434.db2.gz BMZHEDXHJHGCSP-XQQFMLRXSA-N 1 0 240.391 2.221 10 70 BEIERO CN1CC[C@H]([NH2+]CC2C3CC4CC(C3)CC2C4)C1 ZINC000216794647 592081214 /nfs/dbraw/zinc/08/12/14/592081214.db2.gz PAPZWYHSHHXSSP-CGAUPDFVSA-N 1 0 248.414 2.352 10 70 BEIERO Oc1cc(F)cc(C[NH2+]CCC2CC2)c1 ZINC000159605889 183259692 /nfs/dbraw/zinc/25/96/92/183259692.db2.gz WURSRIONXBCNJG-UHFFFAOYSA-N 1 0 209.264 2.421 10 70 BEIERO CC[C@](C)(O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000161452657 133514135 /nfs/dbraw/zinc/51/41/35/133514135.db2.gz IVPNHRHASFGJLV-UPJWGTAASA-N 1 0 211.349 2.269 10 70 BEIERO CCCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160426601 323066285 /nfs/dbraw/zinc/06/62/85/323066285.db2.gz FDCVXARZTUHQEW-GFCCVEGCSA-N 1 0 226.364 2.023 10 70 BEIERO c1n[nH]cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000218658679 490541126 /nfs/dbraw/zinc/54/11/26/490541126.db2.gz NVDXLMODULHFCM-UHFFFAOYSA-N 1 0 231.343 2.468 10 70 BEIERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cscn1 ZINC000161164172 538914246 /nfs/dbraw/zinc/91/42/46/538914246.db2.gz ARZQKDLIAUQUHM-AEJSXWLSSA-N 1 0 226.345 2.097 10 70 BEIERO CN[C@@H](C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216870298 350021230 /nfs/dbraw/zinc/02/12/30/350021230.db2.gz MLIFQVQMEVOKCU-FTPDJBBVSA-N 1 0 222.376 2.009 10 70 BEIERO CC(C)[C@H](O)C[NH2+]CC1CCC(C)CC1 ZINC000160704955 361324057 /nfs/dbraw/zinc/32/40/57/361324057.db2.gz DMEHHYFYIBKHHO-WXRRBKDZSA-N 1 0 213.365 2.419 10 70 BEIERO CCC[C@H](C(=O)NCCc1ccccc1)[NH+](C)C ZINC000161140163 384466803 /nfs/dbraw/zinc/46/68/03/384466803.db2.gz BRHKLZCQMNOEHA-CQSZACIVSA-N 1 0 248.370 2.076 10 70 BEIERO CCC[C@H](C(=O)N[C@@H]1CCC[C@H](C)C1)[NH+](C)C ZINC000161479687 387228069 /nfs/dbraw/zinc/22/80/69/387228069.db2.gz PEWYGBYEHUOAGR-YNEHKIRRSA-N 1 0 240.391 2.412 10 70 BEIERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000217967869 256843863 /nfs/dbraw/zinc/84/38/63/256843863.db2.gz JSIHGAWPPBUQRZ-CYDGBPFRSA-N 1 0 227.348 2.101 10 70 BEIERO CCC[C@@H](C(=O)Nc1ccc(F)cc1)[NH+](C)C ZINC000161146549 323075811 /nfs/dbraw/zinc/07/58/11/323075811.db2.gz MZPXWZVQLFNDOU-LBPRGKRZSA-N 1 0 238.306 2.495 10 70 BEIERO COc1cccc(C[NH2+][C@H]2C[C@H]2C)c1F ZINC000160464236 488136219 /nfs/dbraw/zinc/13/62/19/488136219.db2.gz WQFQARUQKLNWOW-SCZZXKLOSA-N 1 0 209.264 2.332 10 70 BEIERO Cc1nc(CC[NH2+]Cc2ccoc2)cs1 ZINC000218097819 592151369 /nfs/dbraw/zinc/15/13/69/592151369.db2.gz OKKNEZWQGLJZNI-UHFFFAOYSA-N 1 0 222.313 2.377 10 70 BEIERO C[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccc(O)cc2C1 ZINC000218014237 344432400 /nfs/dbraw/zinc/43/24/00/344432400.db2.gz IVUPHSONVWIOPG-ZWNOBZJWSA-N 1 0 217.312 2.344 10 70 BEIERO CCSCC[N@@H+]1CCS[C@@H](C)C1 ZINC000160582827 349259694 /nfs/dbraw/zinc/25/96/94/349259694.db2.gz CLRYTXYBSOJOHE-VIFPVBQESA-N 1 0 205.392 2.177 10 70 BEIERO CCSCCN1CCC([NH+]2CCCC2)CC1 ZINC000160592149 349262627 /nfs/dbraw/zinc/26/26/27/349262627.db2.gz DAEXDKAFIRTYQD-UHFFFAOYSA-N 1 0 242.432 2.300 10 70 BEIERO CC(C)[C@@H](O)C[NH2+]CC1CCC(C)CC1 ZINC000160704832 349316639 /nfs/dbraw/zinc/31/66/39/349316639.db2.gz DMEHHYFYIBKHHO-BPCQOVAHSA-N 1 0 213.365 2.419 10 70 BEIERO CCn1cnnc1[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000161290575 349416523 /nfs/dbraw/zinc/41/65/23/349416523.db2.gz SFVDWTWZFDHGGP-CYBMUJFWSA-N 1 0 248.374 2.444 10 70 BEIERO Cc1c(C[NH2+]CCCC2CC2)cnn1C ZINC000160151442 324138164 /nfs/dbraw/zinc/13/81/64/324138164.db2.gz BJTUNFVJQBNXJR-UHFFFAOYSA-N 1 0 207.321 2.008 10 70 BEIERO CCC[C@H](C(=O)Nc1cccc(F)c1)[NH+](C)C ZINC000161149528 384470540 /nfs/dbraw/zinc/47/05/40/384470540.db2.gz QCXDZUSNKQFYDB-GFCCVEGCSA-N 1 0 238.306 2.495 10 70 BEIERO CC[C@H]1CCCC[C@H]1[N@@H+]1CCN[C@@H](C)C1 ZINC000159584928 171611072 /nfs/dbraw/zinc/61/10/72/171611072.db2.gz WKYFQFXSOGGPNJ-RWMBFGLXSA-N 1 0 210.365 2.249 10 70 BEIERO CCC[C@H](C(=O)N1CCCCCC1)[NH+](C)C ZINC000161132257 323148840 /nfs/dbraw/zinc/14/88/40/323148840.db2.gz WCBHRNFDOUCUDS-GFCCVEGCSA-N 1 0 226.364 2.119 10 70 BEIERO CCC[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161156265 323149454 /nfs/dbraw/zinc/14/94/54/323149454.db2.gz BMZHEDXHJHGCSP-FRRDWIJNSA-N 1 0 240.391 2.221 10 70 BEIERO CCCC[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000161428259 349445646 /nfs/dbraw/zinc/44/56/46/349445646.db2.gz OONXSMLPEDGVDI-LBPRGKRZSA-N 1 0 236.363 2.278 10 70 BEIERO CC1CCC(C[NH2+]C2(CO)CCC2)CC1 ZINC000160709655 353269002 /nfs/dbraw/zinc/26/90/02/353269002.db2.gz MKFSIOLVEMHDEB-UHFFFAOYSA-N 1 0 211.349 2.317 10 70 BEIERO CCC[C@@H](C(=O)Nc1ccc(C)cn1)[NH+](C)C ZINC000161474848 169346474 /nfs/dbraw/zinc/34/64/74/169346474.db2.gz AZRAQQGNPPFEBS-NSHDSACASA-N 1 0 235.331 2.059 10 70 BEIERO CCC[C@H](C(=O)NCc1ccccc1)[NH+](C)C ZINC000161139232 384468013 /nfs/dbraw/zinc/46/80/13/384468013.db2.gz RWZCOIOWWZSHLE-CYBMUJFWSA-N 1 0 234.343 2.033 10 70 BEIERO CCSCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160070002 384603407 /nfs/dbraw/zinc/60/34/07/384603407.db2.gz HBKCAQDFZVXFRL-UHFFFAOYSA-N 1 0 239.388 2.342 10 70 BEIERO CCC1([NH2+]Cc2cnn(C)c2C)CCC1 ZINC000160162518 388050373 /nfs/dbraw/zinc/05/03/73/388050373.db2.gz AVKMGCASMQDXRS-UHFFFAOYSA-N 1 0 207.321 2.151 10 70 BEIERO C[C@H]1C[N@H+](Cc2cnc3ccccn23)CCS1 ZINC000159795881 323048110 /nfs/dbraw/zinc/04/81/10/323048110.db2.gz ZVVNXPMWNODKDI-NSHDSACASA-N 1 0 247.367 2.272 10 70 BEIERO CCC[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161156487 323075824 /nfs/dbraw/zinc/07/58/24/323075824.db2.gz BMZHEDXHJHGCSP-RWMBFGLXSA-N 1 0 240.391 2.221 10 70 BEIERO CCC[C@@H](C(=O)NCc1cccs1)[NH+](C)C ZINC000161209030 323075880 /nfs/dbraw/zinc/07/58/80/323075880.db2.gz UGKYPQWXGJBYFO-NSHDSACASA-N 1 0 240.372 2.095 10 70 BEIERO CCC[C@@H](C(=O)NC1CCCCC1)[NH+](C)C ZINC000161139639 323149021 /nfs/dbraw/zinc/14/90/21/323149021.db2.gz PMJXSNXFOAVINZ-LBPRGKRZSA-N 1 0 226.364 2.166 10 70 BEIERO OC1CC(C[NH2+]C/C=C\c2ccccc2)C1 ZINC000217710234 324051742 /nfs/dbraw/zinc/05/17/42/324051742.db2.gz IVDXFEZYRRFNAX-DAXSKMNVSA-N 1 0 217.312 2.060 10 70 BEIERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cscn1 ZINC000161164433 538914734 /nfs/dbraw/zinc/91/47/34/538914734.db2.gz ARZQKDLIAUQUHM-GUBZILKMSA-N 1 0 226.345 2.097 10 70 BEIERO C[C@H](CC(N)=S)[N@@H+]1CCC[C@@H](C)CC1 ZINC000216820067 343258951 /nfs/dbraw/zinc/25/89/51/343258951.db2.gz QDVNEVNRUGIALX-NXEZZACHSA-N 1 0 214.378 2.173 10 70 BEIERO CN[C@H](C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216870326 345744172 /nfs/dbraw/zinc/74/41/72/345744172.db2.gz MLIFQVQMEVOKCU-UIBFTYAWSA-N 1 0 222.376 2.009 10 70 BEIERO CC[C@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000218409733 134254657 /nfs/dbraw/zinc/25/46/57/134254657.db2.gz QKUZXINKXBMKQA-STQMWFEESA-N 1 0 212.381 2.482 10 70 BEIERO C[C@@H](O)CC[NH2+]C/C=C\c1ccccc1 ZINC000217013001 134215549 /nfs/dbraw/zinc/21/55/49/134215549.db2.gz BEFCHYLSYDGSAP-VVEJJEBESA-N 1 0 205.301 2.060 10 70 BEIERO CC(C)OC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000160678610 323102616 /nfs/dbraw/zinc/10/26/16/323102616.db2.gz AYDOQPRCDJTHJR-NWDGAFQWSA-N 1 0 240.347 2.090 10 70 BEIERO COc1cccc(C[NH2+][C@H]2C[C@@H]2C)c1F ZINC000160464377 488135996 /nfs/dbraw/zinc/13/59/96/488135996.db2.gz WQFQARUQKLNWOW-WPRPVWTQSA-N 1 0 209.264 2.332 10 70 BEIERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccco1 ZINC000217665208 490478736 /nfs/dbraw/zinc/47/87/36/490478736.db2.gz QYLRZEGIXWRCLA-HBNTYKKESA-N 1 0 209.289 2.234 10 70 BEIERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cscn1 ZINC000218233786 538108633 /nfs/dbraw/zinc/10/86/33/538108633.db2.gz ARZQKDLIAUQUHM-IVZWLZJFSA-N 1 0 226.345 2.097 10 70 BEIERO CCC[C@H](C(=O)NCc1cccc(C)c1)[NH+](C)C ZINC000161451930 384490995 /nfs/dbraw/zinc/49/09/95/384490995.db2.gz YKEGDWXUMMSTJY-CQSZACIVSA-N 1 0 248.370 2.342 10 70 BEIERO CCC[C@H](C(=O)NCCCC(C)C)[NH+](C)C ZINC000161486257 387227966 /nfs/dbraw/zinc/22/79/66/387227966.db2.gz HGASHBLQKQZSOF-GFCCVEGCSA-N 1 0 228.380 2.269 10 70 BEIERO CCCC[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000161428387 133514039 /nfs/dbraw/zinc/51/40/39/133514039.db2.gz OONXSMLPEDGVDI-GFCCVEGCSA-N 1 0 236.363 2.278 10 70 BEIERO CC[C@H](C(N)=S)[N@@H+]1CCC[C@@H](C)CC1 ZINC000216820221 350017759 /nfs/dbraw/zinc/01/77/59/350017759.db2.gz RUMAZCURNVBWFR-NXEZZACHSA-N 1 0 214.378 2.173 10 70 BEIERO CCC[C@@H](C)[N@H+](C)C[C@@H](N)CC(C)C ZINC000218310381 355646983 /nfs/dbraw/zinc/64/69/83/355646983.db2.gz BEZDUEOCINTUGM-NEPJUHHUSA-N 1 0 200.370 2.480 10 70 BEIERO CCCC[C@H](COC)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160572420 169004271 /nfs/dbraw/zinc/00/42/71/169004271.db2.gz CXPTWDVDTGOEDT-MJBXVCDLSA-N 1 0 243.391 2.332 10 70 BEIERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)OCC1CC1 ZINC000159625896 411322202 /nfs/dbraw/zinc/32/22/02/411322202.db2.gz SWFKTEMQXZINNN-ZIAGYGMSSA-N 1 0 239.359 2.056 10 70 BEIERO C([NH2+][C@H]1CCOC1)C1C2CC3CC(C2)CC1C3 ZINC000217127318 490429332 /nfs/dbraw/zinc/42/93/32/490429332.db2.gz KZKLEYZMSMULCC-BPHCLYMKSA-N 1 0 235.371 2.437 10 70 BEIERO CN1CC[C@@H]([NH2+]CC2C3CC4CC(C3)CC2C4)C1 ZINC000216794687 592081064 /nfs/dbraw/zinc/08/10/64/592081064.db2.gz PAPZWYHSHHXSSP-BAPHQMLMSA-N 1 0 248.414 2.352 10 70 BEIERO C[C@@H](C[N@@H+]1CCC[C@@H](C)CC1)C(N)=S ZINC000216819837 350017539 /nfs/dbraw/zinc/01/75/39/350017539.db2.gz GUKYAHROUFSVMN-ZJUUUORDSA-N 1 0 214.378 2.031 10 70 BEIERO CCn1cnnc1[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000161290708 349416529 /nfs/dbraw/zinc/41/65/29/349416529.db2.gz SFVDWTWZFDHGGP-ZDUSSCGKSA-N 1 0 248.374 2.444 10 70 BEIERO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000216861705 384429621 /nfs/dbraw/zinc/42/96/21/384429621.db2.gz AULLSDBXLWOAOU-OLZOCXBDSA-N 1 0 212.381 2.482 10 70 BEIERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cscn1 ZINC000218237119 592153358 /nfs/dbraw/zinc/15/33/58/592153358.db2.gz LTZGBLJPKMEQJC-ATZCPNFKSA-N 1 0 226.345 2.361 10 70 BEIERO CCn1cnnc1[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000161275146 136273949 /nfs/dbraw/zinc/27/39/49/136273949.db2.gz RIUJMQNPCHUKFI-LBPRGKRZSA-N 1 0 236.363 2.133 10 70 BEIERO C[C@H]1CN(CCC[NH+]2CCCCC2)CCS1 ZINC000161336609 349424765 /nfs/dbraw/zinc/42/47/65/349424765.db2.gz CKLCOZSXJXFHTI-ZDUSSCGKSA-N 1 0 242.432 2.300 10 70 BEIERO CCC[C@@H](C(=O)NCc1ccc(C)cc1)[NH+](C)C ZINC000161202844 169344811 /nfs/dbraw/zinc/34/48/11/169344811.db2.gz ZAMZNZNSYUQZAE-AWEZNQCLSA-N 1 0 248.370 2.342 10 70 BEIERO CCC[C@@H](C(=O)N1CCc2ccccc21)[NH+](C)C ZINC000161169520 169343743 /nfs/dbraw/zinc/34/37/43/169343743.db2.gz IQKYUOKUOGYTKS-AWEZNQCLSA-N 1 0 246.354 2.306 10 70 BEIERO CCC[C@@H](C(=O)Nc1ccccc1)[NH+](C)C ZINC000161142312 169346235 /nfs/dbraw/zinc/34/62/35/169346235.db2.gz ZNYAGPLEKOESAS-LBPRGKRZSA-N 1 0 220.316 2.355 10 70 BEIERO CCSCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000160520782 384418182 /nfs/dbraw/zinc/41/81/82/384418182.db2.gz FHCRMTOYFZISGB-GFCCVEGCSA-N 1 0 239.388 2.310 10 70 BEIERO COC(C[N@@H+]1CCC[C@@H]1c1ccco1)OC ZINC000161138341 385743637 /nfs/dbraw/zinc/74/36/37/385743637.db2.gz SVSUOHPGVAVWMP-SNVBAGLBSA-N 1 0 225.288 2.035 10 70 BEIERO CCC[C@H](C(=O)NC1CCCCC1)[NH+](C)C ZINC000161139742 323149002 /nfs/dbraw/zinc/14/90/02/323149002.db2.gz PMJXSNXFOAVINZ-GFCCVEGCSA-N 1 0 226.364 2.166 10 70 BEIERO COc1cccc(C[NH2+][C@@H]2C[C@H]2C)c1F ZINC000160464498 488135866 /nfs/dbraw/zinc/13/58/66/488135866.db2.gz WQFQARUQKLNWOW-PSASIEDQSA-N 1 0 209.264 2.332 10 70 BEIERO C([NH2+][C@@H]1CCOC1)C1C2CC3CC(C2)CC1C3 ZINC000217127306 490429541 /nfs/dbraw/zinc/42/95/41/490429541.db2.gz KZKLEYZMSMULCC-DUTNFGBUSA-N 1 0 235.371 2.437 10 70 BEIERO Cc1nc(C[C@@H]2CCC[N@@H+](CC(C)C)C2)no1 ZINC000161048442 349366202 /nfs/dbraw/zinc/36/62/02/349366202.db2.gz NGSFHEQTKBSAQM-LBPRGKRZSA-N 1 0 237.347 2.289 10 70 BEIERO CC[C@@H](C(N)=S)[N@@H+]1CCC[C@@H](C)CC1 ZINC000216820256 350017833 /nfs/dbraw/zinc/01/78/33/350017833.db2.gz RUMAZCURNVBWFR-ZJUUUORDSA-N 1 0 214.378 2.173 10 70 BEIERO CC[C@@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000218409651 134254672 /nfs/dbraw/zinc/25/46/72/134254672.db2.gz QKUZXINKXBMKQA-OLZOCXBDSA-N 1 0 212.381 2.482 10 70 BEIERO C[SiH](C)[NH+]([SiH](C)C)[Si](C)(C)C ZINC000584600002 358103807 /nfs/dbraw/zinc/10/38/07/358103807.db2.gz NLYUKRLXDNHLJA-UHFFFAOYSA-N 1 0 205.526 2.090 10 70 BEIERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217633127 371989695 /nfs/dbraw/zinc/98/96/95/371989695.db2.gz ZLKRPNRIZXZFNJ-LPWJVIDDSA-N 1 0 211.349 2.458 10 70 BEIERO CCC[C@H](C(=O)Nc1ccc(C)cn1)[NH+](C)C ZINC000161474965 384493518 /nfs/dbraw/zinc/49/35/18/384493518.db2.gz AZRAQQGNPPFEBS-LLVKDONJSA-N 1 0 235.331 2.059 10 70 BEIERO COC(C[N@@H+]1CCC[C@H]1c1ccco1)OC ZINC000161138479 385744865 /nfs/dbraw/zinc/74/48/65/385744865.db2.gz SVSUOHPGVAVWMP-JTQLQIEISA-N 1 0 225.288 2.035 10 70 BEIERO CC[C@@](C)(O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000160652932 201725795 /nfs/dbraw/zinc/72/57/95/201725795.db2.gz HFJMVQOMRZGWQJ-CQSZACIVSA-N 1 0 243.391 2.284 10 70 BEIERO c1ncn(C2CC[NH+](CCC3CCCC3)CC2)n1 ZINC000159908679 345640710 /nfs/dbraw/zinc/64/07/10/345640710.db2.gz MFWPGXVEVXSFEH-UHFFFAOYSA-N 1 0 248.374 2.495 10 70 BEIERO CCC[C@H](C(=O)Nc1ccc(F)cc1)[NH+](C)C ZINC000161146640 351085138 /nfs/dbraw/zinc/08/51/38/351085138.db2.gz MZPXWZVQLFNDOU-GFCCVEGCSA-N 1 0 238.306 2.495 10 70 BEIERO CCC[C@@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C ZINC000161138292 169342773 /nfs/dbraw/zinc/34/27/73/169342773.db2.gz UDJQDZKTERRDCJ-AWEZNQCLSA-N 1 0 248.370 2.375 10 70 BEIERO CCC[C@@H](C(=O)NCCc1ccccc1)[NH+](C)C ZINC000161140040 169344041 /nfs/dbraw/zinc/34/40/41/169344041.db2.gz BRHKLZCQMNOEHA-AWEZNQCLSA-N 1 0 248.370 2.076 10 70 BEIERO CCC[C@@H](C(=O)Nc1cccc(F)c1)[NH+](C)C ZINC000161149412 169346701 /nfs/dbraw/zinc/34/67/01/169346701.db2.gz QCXDZUSNKQFYDB-LBPRGKRZSA-N 1 0 238.306 2.495 10 70 BEIERO CCC[C@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C ZINC000161138441 384467022 /nfs/dbraw/zinc/46/70/22/384467022.db2.gz UDJQDZKTERRDCJ-CQSZACIVSA-N 1 0 248.370 2.375 10 70 BEIERO C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)OCC1CC1 ZINC000159626186 388024339 /nfs/dbraw/zinc/02/43/39/388024339.db2.gz SWFKTEMQXZINNN-UONOGXRCSA-N 1 0 239.359 2.056 10 70 BEIERO c1cc(C2CC[NH+](CCOCC3CC3)CC2)n[nH]1 ZINC000160069570 388045006 /nfs/dbraw/zinc/04/50/06/388045006.db2.gz GSTZVZJDDTYUJR-UHFFFAOYSA-N 1 0 249.358 2.016 10 70 BEIERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccco1 ZINC000217665391 490479079 /nfs/dbraw/zinc/47/90/79/490479079.db2.gz QYLRZEGIXWRCLA-GARJFASQSA-N 1 0 209.289 2.234 10 70 BEIERO CCC[C@H](C)[N@H+](C)C[C@@H](N)CC(C)C ZINC000218310441 535630275 /nfs/dbraw/zinc/63/02/75/535630275.db2.gz BEZDUEOCINTUGM-RYUDHWBXSA-N 1 0 200.370 2.480 10 70 BEIERO C[C@@H]([NH3+])c1ccc(-c2cnn(C)c2)cc1F ZINC000218537841 491082614 /nfs/dbraw/zinc/08/26/14/491082614.db2.gz UTMUBOCMTDZOJA-MRVPVSSYSA-N 1 0 219.263 2.246 10 70 BEIERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cscn1 ZINC000218233942 491082617 /nfs/dbraw/zinc/08/26/17/491082617.db2.gz ARZQKDLIAUQUHM-LPEHRKFASA-N 1 0 226.345 2.097 10 70 BEIERO CCC[C@H](C(=O)NCc1cccs1)[NH+](C)C ZINC000161209155 387149618 /nfs/dbraw/zinc/14/96/18/387149618.db2.gz UGKYPQWXGJBYFO-LLVKDONJSA-N 1 0 240.372 2.095 10 70 BEIERO CC(C)OC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000160678476 323102691 /nfs/dbraw/zinc/10/26/91/323102691.db2.gz AYDOQPRCDJTHJR-VXGBXAGGSA-N 1 0 240.347 2.090 10 70 BEIERO Cc1nc(C[C@H]2CCC[N@@H+](CC(C)C)C2)no1 ZINC000161048582 349366062 /nfs/dbraw/zinc/36/60/62/349366062.db2.gz NGSFHEQTKBSAQM-GFCCVEGCSA-N 1 0 237.347 2.289 10 70 BEIERO C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)OCC1CC1 ZINC000159626317 386074390 /nfs/dbraw/zinc/07/43/90/386074390.db2.gz SWFKTEMQXZINNN-KBPBESRZSA-N 1 0 239.359 2.056 10 70 BEIERO CCC[C@@H](C(=O)NCCCC(C)C)[NH+](C)C ZINC000161486143 387228203 /nfs/dbraw/zinc/22/82/03/387228203.db2.gz HGASHBLQKQZSOF-LBPRGKRZSA-N 1 0 228.380 2.269 10 70 BEIERO O[C@@H]1CCC[C@H]1[N@@H+]1CCc2sccc2C1 ZINC000217800554 411267236 /nfs/dbraw/zinc/26/72/36/411267236.db2.gz MQTNHUGYXUPCDH-GHMZBOCLSA-N 1 0 223.341 2.020 10 70 BEIERO