smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1noc(C)c1NC(=O)C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000160657454 436875646 /nfs/dbraw/zinc/87/56/46/436875646.db2.gz UGGZXMZPBQZKMI-NSHDSACASA-N 1 2 338.408 0.663 10 70 ECIELO CCc1noc(C)c1NC(=O)C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000160657454 436875648 /nfs/dbraw/zinc/87/56/48/436875648.db2.gz UGGZXMZPBQZKMI-NSHDSACASA-N 1 2 338.408 0.663 10 70 ECIELO O=C(N[C@H]1CCc2ncnn2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000161099221 206327456 /nfs/dbraw/zinc/32/74/56/206327456.db2.gz UZDYQBIBBXBHKJ-HNNXBMFYSA-N 1 2 341.419 0.515 10 70 ECIELO CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000160414362 436871085 /nfs/dbraw/zinc/87/10/85/436871085.db2.gz OJGXLLWLPMSKBK-ZDUSSCGKSA-N 1 2 337.424 0.315 10 70 ECIELO CC(C)CCn1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000160414362 436871089 /nfs/dbraw/zinc/87/10/89/436871089.db2.gz OJGXLLWLPMSKBK-ZDUSSCGKSA-N 1 2 337.424 0.315 10 70 ECIELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000160072835 529783327 /nfs/dbraw/zinc/78/33/27/529783327.db2.gz ZFMZCDRINLVKBY-INIZCTEOSA-N 1 2 333.436 0.239 10 70 ECIELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000160072835 529783328 /nfs/dbraw/zinc/78/33/28/529783328.db2.gz ZFMZCDRINLVKBY-INIZCTEOSA-N 1 2 333.436 0.239 10 70 ECIELO CCc1noc(C)c1NC(=O)C(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000160657308 436874273 /nfs/dbraw/zinc/87/42/73/436874273.db2.gz UGGZXMZPBQZKMI-LLVKDONJSA-N 1 2 338.408 0.663 10 70 ECIELO CCc1noc(C)c1NC(=O)C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000160657308 436874277 /nfs/dbraw/zinc/87/42/77/436874277.db2.gz UGGZXMZPBQZKMI-LLVKDONJSA-N 1 2 338.408 0.663 10 70 ECIELO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000160807974 436879720 /nfs/dbraw/zinc/87/97/20/436879720.db2.gz ZWAFVEAYRTXWCA-LBPRGKRZSA-N 1 2 336.392 0.417 10 70 ECIELO O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000161231565 436886338 /nfs/dbraw/zinc/88/63/38/436886338.db2.gz ADGXZZUFOSPBJX-ZDUSSCGKSA-N 1 2 327.392 0.520 10 70 ECIELO C[C@H](CNC(=O)CCCNC(=O)c1cccnc1)[NH+]1CCOCC1 ZINC000161200615 436885563 /nfs/dbraw/zinc/88/55/63/436885563.db2.gz UIBFXHVEUDRCCV-CQSZACIVSA-N 1 2 334.420 0.429 10 70 ECIELO Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000160415458 436869758 /nfs/dbraw/zinc/86/97/58/436869758.db2.gz ZHOBVBPJKYOMMX-JTQLQIEISA-N 1 2 326.784 0.429 10 70 ECIELO Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000160415458 436869761 /nfs/dbraw/zinc/86/97/61/436869761.db2.gz ZHOBVBPJKYOMMX-JTQLQIEISA-N 1 2 326.784 0.429 10 70 ECIELO O=C(N[C@@H]1CCc2ncnn2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161339164 436887482 /nfs/dbraw/zinc/88/74/82/436887482.db2.gz KRKHXHITVRLERO-OAHLLOKOSA-N 1 2 341.419 0.515 10 70 ECIELO O=C(N[C@@H]1CCc2ncnn2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160329611 225389023 /nfs/dbraw/zinc/38/90/23/225389023.db2.gz UKHUCVFFTHOTEE-OAHLLOKOSA-N 1 2 341.419 0.515 10 70 ECIELO O=C(N[C@H]1CCc2ncnn2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161339285 436888371 /nfs/dbraw/zinc/88/83/71/436888371.db2.gz KRKHXHITVRLERO-HNNXBMFYSA-N 1 2 341.419 0.515 10 70 ECIELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000160072684 529789489 /nfs/dbraw/zinc/78/94/89/529789489.db2.gz ZFMZCDRINLVKBY-MRXNPFEDSA-N 1 2 333.436 0.239 10 70 ECIELO C[N@H+]1CCO[C@H](CNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000160072684 529789490 /nfs/dbraw/zinc/78/94/90/529789490.db2.gz ZFMZCDRINLVKBY-MRXNPFEDSA-N 1 2 333.436 0.239 10 70 ECIELO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(F)cc2cccnc21 ZINC000159827730 534624589 /nfs/dbraw/zinc/62/45/89/534624589.db2.gz MRQTYNKOEFGOJG-AWEZNQCLSA-N 1 2 333.363 0.797 10 70 ECIELO O=C(N[C@H]1CCc2ncnn2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160329753 206290748 /nfs/dbraw/zinc/29/07/48/206290748.db2.gz UKHUCVFFTHOTEE-HNNXBMFYSA-N 1 2 341.419 0.515 10 70 ECIELO CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000160808096 436880276 /nfs/dbraw/zinc/88/02/76/436880276.db2.gz ZWAFVEAYRTXWCA-GFCCVEGCSA-N 1 2 336.392 0.417 10 70 ECIELO Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000160415343 206296332 /nfs/dbraw/zinc/29/63/32/206296332.db2.gz ZHOBVBPJKYOMMX-SNVBAGLBSA-N 1 2 326.784 0.429 10 70 ECIELO Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000160415343 206296336 /nfs/dbraw/zinc/29/63/36/206296336.db2.gz ZHOBVBPJKYOMMX-SNVBAGLBSA-N 1 2 326.784 0.429 10 70 ECIELO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(F)cc2cccnc21 ZINC000159827859 225285698 /nfs/dbraw/zinc/28/56/98/225285698.db2.gz MRQTYNKOEFGOJG-CQSZACIVSA-N 1 2 333.363 0.797 10 70 ECIELO C[C@@H](CNC(=O)CCCNC(=O)c1cccnc1)[NH+]1CCOCC1 ZINC000161200511 436885691 /nfs/dbraw/zinc/88/56/91/436885691.db2.gz UIBFXHVEUDRCCV-AWEZNQCLSA-N 1 2 334.420 0.429 10 70 ECIELO O=C(N[C@@H]1CCc2ncnn2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000161099140 436884097 /nfs/dbraw/zinc/88/40/97/436884097.db2.gz UZDYQBIBBXBHKJ-OAHLLOKOSA-N 1 2 341.419 0.515 10 70 ECIELO Cn1c2[nH]c(C[NH+]3CCC(c4cc[nH]n4)CC3)nc2c(=O)n(C)c1=O ZINC000160552306 436875819 /nfs/dbraw/zinc/87/58/19/436875819.db2.gz MQAQOHXFDCNTKE-UHFFFAOYSA-N 1 2 343.391 0.063 10 70 ECIELO C[C@@H](CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC000160286632 436870849 /nfs/dbraw/zinc/87/08/49/436870849.db2.gz ZCVOXVVGVFVFSZ-ZDUSSCGKSA-N 1 2 334.411 0.690 10 70 ECIELO CC[C@@H]1C[N@@H+](CCc2cn(CC(=O)OC)nn2)CCN1CCOC ZINC000159926752 436866621 /nfs/dbraw/zinc/86/66/21/436866621.db2.gz LZSCERXPWFXCBM-OAHLLOKOSA-N 1 2 339.440 0.036 10 70 ECIELO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)[C@@H](C)C1 ZINC000161154828 436886095 /nfs/dbraw/zinc/88/60/95/436886095.db2.gz QTAJPPVTUORZOQ-CABZTGNLSA-N 1 2 331.376 0.070 10 70 ECIELO CC(C)[N@@H+]1C[C@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)[C@@H](C)C1 ZINC000161154828 436886098 /nfs/dbraw/zinc/88/60/98/436886098.db2.gz QTAJPPVTUORZOQ-CABZTGNLSA-N 1 2 331.376 0.070 10 70 ECIELO CC[C@H]1C[N@@H+](CCc2cn(CC(=O)OC)nn2)CCN1CCOC ZINC000159926908 436865127 /nfs/dbraw/zinc/86/51/27/436865127.db2.gz LZSCERXPWFXCBM-HNNXBMFYSA-N 1 2 339.440 0.036 10 70 ECIELO O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000161231451 436884922 /nfs/dbraw/zinc/88/49/22/436884922.db2.gz ADGXZZUFOSPBJX-CYBMUJFWSA-N 1 2 327.392 0.520 10 70 ECIELO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000161154715 436886227 /nfs/dbraw/zinc/88/62/27/436886227.db2.gz QTAJPPVTUORZOQ-SKDRFNHKSA-N 1 2 331.376 0.070 10 70 ECIELO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000161154715 436886231 /nfs/dbraw/zinc/88/62/31/436886231.db2.gz QTAJPPVTUORZOQ-SKDRFNHKSA-N 1 2 331.376 0.070 10 70 ECIELO CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000160414268 436870952 /nfs/dbraw/zinc/87/09/52/436870952.db2.gz OJGXLLWLPMSKBK-CYBMUJFWSA-N 1 2 337.424 0.315 10 70 ECIELO CC(C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000160414268 436870956 /nfs/dbraw/zinc/87/09/56/436870956.db2.gz OJGXLLWLPMSKBK-CYBMUJFWSA-N 1 2 337.424 0.315 10 70 ECIELO C[C@H](CNC(=O)N1CCCN(CC(F)F)CC1)[NH+]1CCOCC1 ZINC000160286772 436871219 /nfs/dbraw/zinc/87/12/19/436871219.db2.gz ZCVOXVVGVFVFSZ-CYBMUJFWSA-N 1 2 334.411 0.690 10 70 ECIELO