smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CCOCC2)cc(Nc2ccc(N)cc2)[nH+]1 ZINC000206579794 374177249 /nfs/dbraw/zinc/17/72/49/374177249.db2.gz VYVOREWGNIZQHO-UHFFFAOYSA-N 1 1 285.351 1.947 50 10 CDCAMO Oc1ccc(-c2cncnc2)cc1C[NH+]1CCOCC1 ZINC000020453268 171208181 /nfs/dbraw/zinc/20/81/81/171208181.db2.gz HVBHEZNIPNHKDI-UHFFFAOYSA-N 1 1 271.320 1.681 50 10 CDCAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000000757461 355921397 /nfs/dbraw/zinc/92/13/97/355921397.db2.gz UDAPQOIBUZOPLD-CYBMUJFWSA-N 1 1 261.369 1.450 50 10 CDCAMO COc1cccc(C[N@@H+](C)C[C@@H](C)N2CCOCC2)c1O ZINC000065405139 357537732 /nfs/dbraw/zinc/53/77/32/357537732.db2.gz CVWDUUVIHOTILN-CYBMUJFWSA-N 1 1 294.395 1.553 50 10 CDCAMO CNC(=O)C(C)(C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000067643089 357616925 /nfs/dbraw/zinc/61/69/25/357616925.db2.gz DPAAZIXQLYENMK-UHFFFAOYSA-N 1 1 254.305 1.488 50 10 CDCAMO Cc1cc(=O)oc2c(C)c([O-])c(CN3CCOCC3)cc12 ZINC000020646686 171269069 /nfs/dbraw/zinc/26/90/69/171269069.db2.gz DIFPGROGRYFHIN-UHFFFAOYSA-N 1 1 289.331 1.948 50 10 CDCAMO CC(C)C[N@H+]1CCN(Cc2ccccc2O)C[C@@H]1CCO ZINC000019839045 390229216 /nfs/dbraw/zinc/22/92/16/390229216.db2.gz WVLJEROPSPSBMM-INIZCTEOSA-N 1 1 292.423 1.917 50 10 CDCAMO CC(C)CN1CC[N@H+](Cc2ccccc2O)C[C@@H]1CCO ZINC000019839045 390229218 /nfs/dbraw/zinc/22/92/18/390229218.db2.gz WVLJEROPSPSBMM-INIZCTEOSA-N 1 1 292.423 1.917 50 10 CDCAMO CC(C)CN1CC[N@@H+](Cc2ccccc2O)C[C@@H]1CCO ZINC000019839045 390229219 /nfs/dbraw/zinc/22/92/19/390229219.db2.gz WVLJEROPSPSBMM-INIZCTEOSA-N 1 1 292.423 1.917 50 10 CDCAMO CCc1cc(=O)oc2c(C)c(O)c(C[NH2+]CCO)cc12 ZINC000009486175 170378881 /nfs/dbraw/zinc/37/88/81/170378881.db2.gz FEZTZAMZYBJLHC-UHFFFAOYSA-N 1 1 277.320 1.451 50 10 CDCAMO O=[N+]([O-])c1ccc(O)c(Cn2c[n+](-c3ccccc3)cn2)c1 ZINC000019799480 356506263 /nfs/dbraw/zinc/50/62/63/356506263.db2.gz MOFHKUZAJZCHSF-UHFFFAOYSA-O 1 1 297.294 1.822 50 10 CDCAMO Oc1ccc(-c2cnccn2)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000011788431 356278992 /nfs/dbraw/zinc/27/89/92/356278992.db2.gz OFECAPMIZSXAKR-AWEZNQCLSA-N 1 1 285.347 1.806 50 10 CDCAMO O=CN1CC[NH+](Cc2cc(-c3ccccn3)ccc2O)CC1 ZINC000019741407 356499470 /nfs/dbraw/zinc/49/94/70/356499470.db2.gz HXTDMEIKQKBMQM-UHFFFAOYSA-N 1 1 297.358 1.728 50 10 CDCAMO CCOc1cccc(C[N@H+]2CCN(C)[C@H](CCO)C2)c1O ZINC000022853590 356623497 /nfs/dbraw/zinc/62/34/97/356623497.db2.gz RQCVDUCGOYMAFF-CQSZACIVSA-N 1 1 294.395 1.289 50 10 CDCAMO CCOc1cccc(CN2CC[N@H+](C)[C@H](CCO)C2)c1O ZINC000022853590 356623500 /nfs/dbraw/zinc/62/35/00/356623500.db2.gz RQCVDUCGOYMAFF-CQSZACIVSA-N 1 1 294.395 1.289 50 10 CDCAMO CCOc1cccc(CN2CC[N@@H+](C)[C@H](CCO)C2)c1O ZINC000022853590 356623503 /nfs/dbraw/zinc/62/35/03/356623503.db2.gz RQCVDUCGOYMAFF-CQSZACIVSA-N 1 1 294.395 1.289 50 10 CDCAMO Cc1cccc(CN2CCN3CC[N@H+](C)C[C@H]3C2)c1O ZINC000106250508 186104883 /nfs/dbraw/zinc/10/48/83/186104883.db2.gz VFVQCKZBBDQOEA-HNNXBMFYSA-N 1 1 275.396 1.132 50 10 CDCAMO Cc1cccc(C[N@H+]2CCN3CCN(C)C[C@H]3C2)c1O ZINC000106250508 186104884 /nfs/dbraw/zinc/10/48/84/186104884.db2.gz VFVQCKZBBDQOEA-HNNXBMFYSA-N 1 1 275.396 1.132 50 10 CDCAMO Cc1cccc(C[N@@H+]2CCN3CCN(C)C[C@H]3C2)c1O ZINC000106250508 186104886 /nfs/dbraw/zinc/10/48/86/186104886.db2.gz VFVQCKZBBDQOEA-HNNXBMFYSA-N 1 1 275.396 1.132 50 10 CDCAMO COC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000038588076 376866302 /nfs/dbraw/zinc/86/63/02/376866302.db2.gz VHBXGLNCRCZNKB-UHFFFAOYSA-N 1 1 293.367 1.173 50 10 CDCAMO Cc1nnc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000392421967 836486101 /nfs/dbraw/zinc/48/61/01/836486101.db2.gz QMSZTFOXQKMEQN-VIFPVBQESA-N 1 1 258.325 1.899 50 10 CDCAMO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000014246942 356381474 /nfs/dbraw/zinc/38/14/74/356381474.db2.gz NYYCEMFMCMMXLB-VIFPVBQESA-N 1 1 251.282 1.342 50 10 CDCAMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000014246942 356381477 /nfs/dbraw/zinc/38/14/77/356381477.db2.gz NYYCEMFMCMMXLB-VIFPVBQESA-N 1 1 251.282 1.342 50 10 CDCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC000023281634 521338105 /nfs/dbraw/zinc/33/81/05/521338105.db2.gz KHHCQQGUJFYPMT-GFCCVEGCSA-N 1 1 251.326 1.748 50 10 CDCAMO C[NH+]1CCN(c2nc(-c3ccc(O)c(O)c3)cs2)CC1 ZINC000007781620 170301975 /nfs/dbraw/zinc/30/19/75/170301975.db2.gz RHRQDVGKYZMNJA-UHFFFAOYSA-N 1 1 291.376 1.973 50 10 CDCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1O ZINC000023282095 521337832 /nfs/dbraw/zinc/33/78/32/521337832.db2.gz FLWKFPAPRRYOIX-GFCCVEGCSA-N 1 1 265.353 1.995 50 10 CDCAMO C[N@H+]1CCCC[C@@H]1CC(=O)NCc1ccc(O)cc1O ZINC000216047658 358919711 /nfs/dbraw/zinc/91/97/11/358919711.db2.gz MWDXBMKDVHAOKM-GFCCVEGCSA-N 1 1 278.352 1.588 50 10 CDCAMO CCN1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC000022586694 171393157 /nfs/dbraw/zinc/39/31/57/171393157.db2.gz VURHWOQDSWMGPT-UHFFFAOYSA-N 1 1 250.342 1.538 50 10 CDCAMO CC(C)NC(=O)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000008184016 170323176 /nfs/dbraw/zinc/32/31/76/170323176.db2.gz LQTKCRXULAPNNA-UHFFFAOYSA-N 1 1 280.324 1.077 50 10 CDCAMO CC(C)NC(=O)C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000008184016 170323178 /nfs/dbraw/zinc/32/31/78/170323178.db2.gz LQTKCRXULAPNNA-UHFFFAOYSA-N 1 1 280.324 1.077 50 10 CDCAMO COc1ccc(N2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000052521577 362538629 /nfs/dbraw/zinc/53/86/29/362538629.db2.gz MOTJUIBFPPGAFU-UHFFFAOYSA-N 1 1 277.368 1.081 50 10 CDCAMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000014246941 356381348 /nfs/dbraw/zinc/38/13/48/356381348.db2.gz NYYCEMFMCMMXLB-SECBINFHSA-N 1 1 251.282 1.342 50 10 CDCAMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000014246941 356381350 /nfs/dbraw/zinc/38/13/50/356381350.db2.gz NYYCEMFMCMMXLB-SECBINFHSA-N 1 1 251.282 1.342 50 10 CDCAMO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000012984009 373909771 /nfs/dbraw/zinc/90/97/71/373909771.db2.gz YXVUTXUVOZYGLD-NSHDSACASA-N 1 1 265.309 1.732 50 10 CDCAMO CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000012984009 373909780 /nfs/dbraw/zinc/90/97/80/373909780.db2.gz YXVUTXUVOZYGLD-NSHDSACASA-N 1 1 265.309 1.732 50 10 CDCAMO CC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000097031845 358085320 /nfs/dbraw/zinc/08/53/20/358085320.db2.gz FEVMQGFIWOXWCD-HNNXBMFYSA-N 1 1 291.395 1.219 50 10 CDCAMO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000032888274 359259918 /nfs/dbraw/zinc/25/99/18/359259918.db2.gz WDWDQRXLQMNHKY-CQSZACIVSA-N 1 1 295.404 1.500 50 10 CDCAMO C[N@@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000032888274 359259922 /nfs/dbraw/zinc/25/99/22/359259922.db2.gz WDWDQRXLQMNHKY-CQSZACIVSA-N 1 1 295.404 1.500 50 10 CDCAMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000095430319 374932425 /nfs/dbraw/zinc/93/24/25/374932425.db2.gz QIWWXGWQAZULRU-LLVKDONJSA-N 1 1 278.352 1.488 50 10 CDCAMO CC[N@@H+](CCN1CCOCC1)Cc1cc(C)ccc1O ZINC000065376377 357533029 /nfs/dbraw/zinc/53/30/29/357533029.db2.gz SXRMZUVGBXFLNE-UHFFFAOYSA-N 1 1 278.396 1.855 50 10 CDCAMO OCC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000023282116 356639125 /nfs/dbraw/zinc/63/91/25/356639125.db2.gz STDKVZGRVOWGAL-UHFFFAOYSA-N 1 1 270.760 1.156 50 10 CDCAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000065397600 740254610 /nfs/dbraw/zinc/25/46/10/740254610.db2.gz VNDOPEDAIAEXNW-SNVBAGLBSA-N 1 1 266.341 1.357 50 10 CDCAMO COCc1cc(C[NH+]2CCOCC2)c(O)c2ncccc12 ZINC000019857303 356510559 /nfs/dbraw/zinc/51/05/59/356510559.db2.gz YTKRVCSFNZGTCM-UHFFFAOYSA-N 1 1 288.347 1.919 50 10 CDCAMO CC[NH+]1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000031726380 375818460 /nfs/dbraw/zinc/81/84/60/375818460.db2.gz ZHGYCKAXNQOVCI-UHFFFAOYSA-N 1 1 290.411 1.600 50 10 CDCAMO C[N@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000032888275 356409003 /nfs/dbraw/zinc/40/90/03/356409003.db2.gz WDWDQRXLQMNHKY-AWEZNQCLSA-N 1 1 295.404 1.500 50 10 CDCAMO C[N@@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCS(=O)(=O)C1 ZINC000032888275 356409004 /nfs/dbraw/zinc/40/90/04/356409004.db2.gz WDWDQRXLQMNHKY-AWEZNQCLSA-N 1 1 295.404 1.500 50 10 CDCAMO Cc1nc[nH]c1CSCCNc1nc(N)[nH+]cc1C ZINC000091966235 180293860 /nfs/dbraw/zinc/29/38/60/180293860.db2.gz SBLBGDRLCJIJPV-UHFFFAOYSA-N 1 1 278.385 1.744 50 10 CDCAMO CCOc1cccc(CN2CC[NH+](C)CC2)c1O ZINC000022586649 171393232 /nfs/dbraw/zinc/39/32/32/171393232.db2.gz CMIXWPFSCOLTHQ-UHFFFAOYSA-N 1 1 250.342 1.538 50 10 CDCAMO CNC(=O)C[C@H](C)[N@@H+](C)Cc1cccc(OC)c1O ZINC000065397599 824934676 /nfs/dbraw/zinc/93/46/76/824934676.db2.gz VNDOPEDAIAEXNW-JTQLQIEISA-N 1 1 266.341 1.357 50 10 CDCAMO C[N@H+]1CCCC[C@H]1CC(=O)NCc1ccc(O)cc1O ZINC000216047707 358920284 /nfs/dbraw/zinc/92/02/84/358920284.db2.gz MWDXBMKDVHAOKM-LBPRGKRZSA-N 1 1 278.352 1.588 50 10 CDCAMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000095430318 374932479 /nfs/dbraw/zinc/93/24/79/374932479.db2.gz QIWWXGWQAZULRU-NSHDSACASA-N 1 1 278.352 1.488 50 10 CDCAMO CC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000097031848 358085736 /nfs/dbraw/zinc/08/57/36/358085736.db2.gz FEVMQGFIWOXWCD-OAHLLOKOSA-N 1 1 291.395 1.219 50 10 CDCAMO Oc1ccc(-c2cnccn2)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000011788430 356279105 /nfs/dbraw/zinc/27/91/05/356279105.db2.gz OFECAPMIZSXAKR-CQSZACIVSA-N 1 1 285.347 1.806 50 10 CDCAMO C[C@@H]1C[NH+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)O1 ZINC000016075210 170686950 /nfs/dbraw/zinc/68/69/50/170686950.db2.gz WXYMKOPOTIFOEV-NXEZZACHSA-N 1 1 265.309 1.730 50 10 CDCAMO CCOc1cccc(C[NH+]2CCN(CC)CC2)c1O ZINC000023281520 359220622 /nfs/dbraw/zinc/22/06/22/359220622.db2.gz WFYZKMILLXMDMQ-UHFFFAOYSA-N 1 1 264.369 1.928 50 10 CDCAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(O)cc1O ZINC000095367406 358686239 /nfs/dbraw/zinc/68/62/39/358686239.db2.gz VGNJPIHKOGSGNC-CYBMUJFWSA-N 1 1 292.379 1.979 50 10 CDCAMO COc1cccc(C[N@@H+](C)C[C@H](C)N2CCOCC2)c1O ZINC000065405137 357538184 /nfs/dbraw/zinc/53/81/84/357538184.db2.gz CVWDUUVIHOTILN-ZDUSSCGKSA-N 1 1 294.395 1.553 50 10 CDCAMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000392421966 682400599 /nfs/dbraw/zinc/40/05/99/682400599.db2.gz QMSZTFOXQKMEQN-SECBINFHSA-N 1 1 258.325 1.899 50 10 CDCAMO CC(C)[N@H+]1CCN(Cc2ccccc2O)C[C@@H]1CCO ZINC000019229213 356477962 /nfs/dbraw/zinc/47/79/62/356477962.db2.gz XDIKUFHYZQMYDF-HNNXBMFYSA-N 1 1 278.396 1.669 50 10 CDCAMO CC(C)N1CC[N@H+](Cc2ccccc2O)C[C@@H]1CCO ZINC000019229213 356477963 /nfs/dbraw/zinc/47/79/63/356477963.db2.gz XDIKUFHYZQMYDF-HNNXBMFYSA-N 1 1 278.396 1.669 50 10 CDCAMO CC(C)N1CC[N@@H+](Cc2ccccc2O)C[C@@H]1CCO ZINC000019229213 356477964 /nfs/dbraw/zinc/47/79/64/356477964.db2.gz XDIKUFHYZQMYDF-HNNXBMFYSA-N 1 1 278.396 1.669 50 10 CDCAMO CC(C)[N@@H+](CCC(N)=O)Cc1cc(F)ccc1O ZINC000067956314 357641426 /nfs/dbraw/zinc/64/14/26/357641426.db2.gz WSNUEIBZQNTYOI-UHFFFAOYSA-N 1 1 254.305 1.617 50 10 CDCAMO C[C@H]1C[NH+](Cc2cc3c(cc2O)OCO3)C[C@H](C)O1 ZINC000016075213 357473489 /nfs/dbraw/zinc/47/34/89/357473489.db2.gz WXYMKOPOTIFOEV-UWVGGRQHSA-N 1 1 265.309 1.730 50 10 CDCAMO Nc1ccc(N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000054975158 373752366 /nfs/dbraw/zinc/75/23/66/373752366.db2.gz VCWQFUGLDPFWLC-UHFFFAOYSA-N 1 1 268.364 1.986 50 10 CDCAMO COc1ccc(N2CCC([N@@H+]3CCCNCC3)CC2)cc1 ZINC000426606668 361162055 /nfs/dbraw/zinc/16/20/55/361162055.db2.gz ADCBJXIYJNYDPQ-UHFFFAOYSA-N 1 1 289.423 1.959 50 10 CDCAMO COc1ccc(N2CCC([N@H+]3CCCNCC3)CC2)cc1 ZINC000426606668 361162059 /nfs/dbraw/zinc/16/20/59/361162059.db2.gz ADCBJXIYJNYDPQ-UHFFFAOYSA-N 1 1 289.423 1.959 50 10 CDCAMO O=CN1CC[NH+](Cc2cc(-c3cncnc3)ccc2O)CC1 ZINC000019839771 374806240 /nfs/dbraw/zinc/80/62/40/374806240.db2.gz WARIZSNNCLHCIK-UHFFFAOYSA-N 1 1 298.346 1.123 50 10 CDCAMO O=C1CC[N@@H+](Cc2c(O)ccc3ccccc32)CCN1 ZINC000032771154 356365175 /nfs/dbraw/zinc/36/51/75/356365175.db2.gz BMEMTZMUUYKUPP-UHFFFAOYSA-N 1 1 270.332 1.867 50 10 CDCAMO CCN(CC)c1ccc(C[NH2+]CCNCCO)cc1 ZINC000019370619 356482538 /nfs/dbraw/zinc/48/25/38/356482538.db2.gz DMPIDZDWPLYJFD-UHFFFAOYSA-N 1 1 265.401 1.204 50 10 CDCAMO CNC(=O)C[N@@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000012883453 356329448 /nfs/dbraw/zinc/32/94/48/356329448.db2.gz RGZRXDCFBQPZKO-UHFFFAOYSA-N 1 1 288.347 1.732 50 10 CDCAMO CN1CCO[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]21 ZINC000128793757 187390848 /nfs/dbraw/zinc/39/08/48/187390848.db2.gz YRYGUUHDNRCLRL-DOTOQJQBSA-N 1 1 288.391 1.396 50 10 CDCAMO CCOc1cccc(C[N@H+]2CCC[C@H](O)C2)c1O ZINC000023281636 521341508 /nfs/dbraw/zinc/34/15/08/521341508.db2.gz KHHCQQGUJFYPMT-LBPRGKRZSA-N 1 1 251.326 1.748 50 10 CDCAMO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1O)N1CCOCC1 ZINC000067559816 357612827 /nfs/dbraw/zinc/61/28/27/357612827.db2.gz NYVJDWGFCJGYKH-GFCCVEGCSA-N 1 1 282.359 1.684 50 10 CDCAMO CC(C)C[N@H+]1CCN(Cc2ccccc2O)C[C@H]1CCO ZINC000104330081 361586627 /nfs/dbraw/zinc/58/66/27/361586627.db2.gz WVLJEROPSPSBMM-MRXNPFEDSA-N 1 1 292.423 1.917 50 10 CDCAMO CC(C)CN1CC[N@H+](Cc2ccccc2O)C[C@H]1CCO ZINC000104330081 361586632 /nfs/dbraw/zinc/58/66/32/361586632.db2.gz WVLJEROPSPSBMM-MRXNPFEDSA-N 1 1 292.423 1.917 50 10 CDCAMO CC(C)CN1CC[N@@H+](Cc2ccccc2O)C[C@H]1CCO ZINC000104330081 361586637 /nfs/dbraw/zinc/58/66/37/361586637.db2.gz WVLJEROPSPSBMM-MRXNPFEDSA-N 1 1 292.423 1.917 50 10 CDCAMO CC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000023281415 171418516 /nfs/dbraw/zinc/41/85/16/171418516.db2.gz VGNMJNUCQIJAMM-UHFFFAOYSA-N 1 1 261.369 1.417 50 10 CDCAMO CN1CCO[C@H]2C[N@@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]21 ZINC000128793526 187390204 /nfs/dbraw/zinc/39/02/04/187390204.db2.gz YRYGUUHDNRCLRL-RDJZCZTQSA-N 1 1 288.391 1.396 50 10 CDCAMO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1O)N1CCOCC1 ZINC000067559813 357613418 /nfs/dbraw/zinc/61/34/18/357613418.db2.gz NYVJDWGFCJGYKH-LBPRGKRZSA-N 1 1 282.359 1.684 50 10 CDCAMO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2C(N)=O)cc1C ZINC000009256519 392000019 /nfs/dbraw/zinc/00/00/19/392000019.db2.gz LAFCWPBZNLWOKO-ZDUSSCGKSA-N 1 1 262.353 1.849 50 10 CDCAMO COc1cccc(CN(C)C2CC[NH2+]CC2)c1O ZINC000097095602 357953196 /nfs/dbraw/zinc/95/31/96/357953196.db2.gz XVNDRTRBIFRSIB-UHFFFAOYSA-N 1 1 250.342 1.585 50 10 CDCAMO CCN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000019634957 356494280 /nfs/dbraw/zinc/49/42/80/356494280.db2.gz JARBIUJZSWGVPS-UHFFFAOYSA-N 1 1 250.342 1.538 50 10 CDCAMO COCC[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000065393635 357535881 /nfs/dbraw/zinc/53/58/81/357535881.db2.gz ZPUYPLACPMBUHY-ZDUSSCGKSA-N 1 1 281.352 1.638 50 10 CDCAMO COCC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000065393635 357535885 /nfs/dbraw/zinc/53/58/85/357535885.db2.gz ZPUYPLACPMBUHY-ZDUSSCGKSA-N 1 1 281.352 1.638 50 10 CDCAMO CCN1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000022578800 171392627 /nfs/dbraw/zinc/39/26/27/171392627.db2.gz CYBNOBFFZZJWNJ-UHFFFAOYSA-N 1 1 250.342 1.538 50 10 CDCAMO CCOc1cccc(C[N@H+]2CCCN(C)CC2)c1O ZINC000022586748 171393494 /nfs/dbraw/zinc/39/34/94/171393494.db2.gz WGCXUAGQXSVNKC-UHFFFAOYSA-N 1 1 264.369 1.928 50 10 CDCAMO CCOc1cccc(CN2CCC[N@H+](C)CC2)c1O ZINC000022586748 171393495 /nfs/dbraw/zinc/39/34/95/171393495.db2.gz WGCXUAGQXSVNKC-UHFFFAOYSA-N 1 1 264.369 1.928 50 10 CDCAMO CCOc1cccc(CN2CCC[N@@H+](C)CC2)c1O ZINC000022586748 171393496 /nfs/dbraw/zinc/39/34/96/171393496.db2.gz WGCXUAGQXSVNKC-UHFFFAOYSA-N 1 1 264.369 1.928 50 10 CDCAMO CC(C)[N@H+]1CCN(Cc2ccccc2O)C[C@H]1CCO ZINC000104435343 186001533 /nfs/dbraw/zinc/00/15/33/186001533.db2.gz XDIKUFHYZQMYDF-OAHLLOKOSA-N 1 1 278.396 1.669 50 10 CDCAMO CC(C)N1CC[N@H+](Cc2ccccc2O)C[C@H]1CCO ZINC000104435343 186001535 /nfs/dbraw/zinc/00/15/35/186001535.db2.gz XDIKUFHYZQMYDF-OAHLLOKOSA-N 1 1 278.396 1.669 50 10 CDCAMO CC(C)N1CC[N@@H+](Cc2ccccc2O)C[C@H]1CCO ZINC000104435343 186001537 /nfs/dbraw/zinc/00/15/37/186001537.db2.gz XDIKUFHYZQMYDF-OAHLLOKOSA-N 1 1 278.396 1.669 50 10 CDCAMO Cc1cccc(CN2CCN3CC[N@H+](C)C[C@@H]3C2)c1O ZINC000065386735 357535273 /nfs/dbraw/zinc/53/52/73/357535273.db2.gz VFVQCKZBBDQOEA-OAHLLOKOSA-N 1 1 275.396 1.132 50 10 CDCAMO Cc1cccc(C[N@H+]2CCN3CCN(C)C[C@@H]3C2)c1O ZINC000065386735 357535277 /nfs/dbraw/zinc/53/52/77/357535277.db2.gz VFVQCKZBBDQOEA-OAHLLOKOSA-N 1 1 275.396 1.132 50 10 CDCAMO Cc1cccc(C[N@@H+]2CCN3CCN(C)C[C@@H]3C2)c1O ZINC000065386735 357535282 /nfs/dbraw/zinc/53/52/82/357535282.db2.gz VFVQCKZBBDQOEA-OAHLLOKOSA-N 1 1 275.396 1.132 50 10 CDCAMO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1C ZINC000009256518 391999989 /nfs/dbraw/zinc/99/99/89/391999989.db2.gz LAFCWPBZNLWOKO-CYBMUJFWSA-N 1 1 262.353 1.849 50 10 CDCAMO Cc1cc(O)c(C[NH+]2CCN(S(C)(=O)=O)CC2)cc1C ZINC000032855708 356395786 /nfs/dbraw/zinc/39/57/86/356395786.db2.gz HROGZOQEBQMXMD-UHFFFAOYSA-N 1 1 298.408 1.086 50 10 CDCAMO C[N@H+](CC(=O)N1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000032906686 356425242 /nfs/dbraw/zinc/42/52/42/356425242.db2.gz PVORZYQJTVDOFL-UHFFFAOYSA-N 1 1 292.335 1.175 50 10 CDCAMO C[N@@H+](CC(=O)N1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000032906686 356425244 /nfs/dbraw/zinc/42/52/44/356425244.db2.gz PVORZYQJTVDOFL-UHFFFAOYSA-N 1 1 292.335 1.175 50 10 CDCAMO COCC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000065393634 357535984 /nfs/dbraw/zinc/53/59/84/357535984.db2.gz ZPUYPLACPMBUHY-CYBMUJFWSA-N 1 1 281.352 1.638 50 10 CDCAMO COCC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)CCO1 ZINC000065393634 357535987 /nfs/dbraw/zinc/53/59/87/357535987.db2.gz ZPUYPLACPMBUHY-CYBMUJFWSA-N 1 1 281.352 1.638 50 10 CDCAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(O)cc1O ZINC000095367407 358686591 /nfs/dbraw/zinc/68/65/91/358686591.db2.gz VGNJPIHKOGSGNC-ZDUSSCGKSA-N 1 1 292.379 1.979 50 10 CDCAMO CCN(CC)c1ccc(C[NH+]2CCN(C=O)CC2)cc1 ZINC000019632763 356494132 /nfs/dbraw/zinc/49/41/32/356494132.db2.gz VGDXKFFNGRUZBY-UHFFFAOYSA-N 1 1 275.396 1.807 50 10 CDCAMO CCc1[nH+]ccn1CCCNC(=O)Cc1ccc(N)cc1 ZINC000670454615 483029042 /nfs/dbraw/zinc/02/90/42/483029042.db2.gz GKRLGTTXUKJEHY-UHFFFAOYSA-N 1 1 286.379 1.777 50 10 CDCAMO CCOc1cccc(C[N@H+]2CCC[C@H](CO)C2)c1O ZINC000023282097 521336826 /nfs/dbraw/zinc/33/68/26/521336826.db2.gz FLWKFPAPRRYOIX-LBPRGKRZSA-N 1 1 265.353 1.995 50 10 CDCAMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000000757463 355920920 /nfs/dbraw/zinc/92/09/20/355920920.db2.gz UDAPQOIBUZOPLD-ZDUSSCGKSA-N 1 1 261.369 1.450 50 10 CDCAMO Cc1cc(C[N@H+](CC(N)=O)C(C)C)ccc1N(C)C ZINC000293649266 362812280 /nfs/dbraw/zinc/81/22/80/362812280.db2.gz XYMLMPWLJLQOOL-UHFFFAOYSA-N 1 1 263.385 1.757 50 10 CDCAMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C)O1 ZINC000016075212 357473350 /nfs/dbraw/zinc/47/33/50/357473350.db2.gz WXYMKOPOTIFOEV-AOOOYVTPSA-N 1 1 265.309 1.730 50 10 CDCAMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C)O1 ZINC000016075212 357473354 /nfs/dbraw/zinc/47/33/54/357473354.db2.gz WXYMKOPOTIFOEV-AOOOYVTPSA-N 1 1 265.309 1.730 50 10 CDCAMO C[N@@H+](Cc1cc(=O)oc2cc(O)c(O)cc12)CC(C)(C)O ZINC000095996061 185060283 /nfs/dbraw/zinc/06/02/83/185060283.db2.gz ATABWKVXMDZDSX-UHFFFAOYSA-N 1 1 293.319 1.407 50 10 CDCAMO CCOc1cccc(C[N@H+]2CCN(C)[C@@H](CCO)C2)c1O ZINC000023146031 390241093 /nfs/dbraw/zinc/24/10/93/390241093.db2.gz RQCVDUCGOYMAFF-AWEZNQCLSA-N 1 1 294.395 1.289 50 10 CDCAMO CCOc1cccc(CN2CC[N@H+](C)[C@@H](CCO)C2)c1O ZINC000023146031 390241097 /nfs/dbraw/zinc/24/10/97/390241097.db2.gz RQCVDUCGOYMAFF-AWEZNQCLSA-N 1 1 294.395 1.289 50 10 CDCAMO CCOc1cccc(CN2CC[N@@H+](C)[C@@H](CCO)C2)c1O ZINC000023146031 390241099 /nfs/dbraw/zinc/24/10/99/390241099.db2.gz RQCVDUCGOYMAFF-AWEZNQCLSA-N 1 1 294.395 1.289 50 10 CDCAMO CC(C)CN1C(=O)/C(=C/N2CC[NH+](C)CC2)SC1=S ZINC000032042431 375868677 /nfs/dbraw/zinc/86/86/77/375868677.db2.gz HCPPAUQSTHZSII-LUAWRHEFSA-N 1 1 299.465 1.592 50 10 CDCAMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1[O-])C1CC[NH+](C)CC1 ZINC000004987135 170049519 /nfs/dbraw/zinc/04/95/19/170049519.db2.gz RRHCUOXYGYKADY-UHFFFAOYSA-N 1 1 279.340 1.826 50 10 CDCAMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1[O-])C1CC[NH+](C)CC1 ZINC000004987135 170049520 /nfs/dbraw/zinc/04/95/20/170049520.db2.gz RRHCUOXYGYKADY-UHFFFAOYSA-N 1 1 279.340 1.826 50 10 CDCAMO COc1ccc(C[N@@H+](C)C2CCN(C)CC2)c(O)c1 ZINC000004988853 170049882 /nfs/dbraw/zinc/04/98/82/170049882.db2.gz OYLHFFNPDDJHJR-UHFFFAOYSA-N 1 1 264.369 1.927 50 10 CDCAMO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000012984007 373908797 /nfs/dbraw/zinc/90/87/97/373908797.db2.gz YXVUTXUVOZYGLD-LLVKDONJSA-N 1 1 265.309 1.732 50 10 CDCAMO CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000012984007 373908805 /nfs/dbraw/zinc/90/88/05/373908805.db2.gz YXVUTXUVOZYGLD-LLVKDONJSA-N 1 1 265.309 1.732 50 10 CDCAMO