smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C)c1CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000159604629 206255221 /nfs/dbraw/zinc/25/52/21/206255221.db2.gz KLODTBXLAAKRJF-UHFFFAOYSA-N 1 2 349.438 2.926 10 70 EFIELO Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000159668042 206257656 /nfs/dbraw/zinc/25/76/56/206257656.db2.gz RWWMLGUJNWGVJJ-UHFFFAOYSA-N 1 2 344.846 2.754 10 70 EFIELO O=C([C@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159788833 206264180 /nfs/dbraw/zinc/26/41/80/206264180.db2.gz OTPMODCGRZIGAQ-MOPGFXCFSA-N 1 2 327.472 2.942 10 70 EFIELO Fc1ccccc1-c1cnc(C[NH+]2CCN(c3cccnn3)CC2)o1 ZINC000160168061 206281740 /nfs/dbraw/zinc/28/17/40/206281740.db2.gz KWCFIKNKMGBSRS-UHFFFAOYSA-N 1 2 339.374 2.593 10 70 EFIELO CCCCOC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000160388098 206294376 /nfs/dbraw/zinc/29/43/76/206294376.db2.gz BAVQZSMBGWIHFZ-ZDUSSCGKSA-N 1 2 336.432 2.514 10 70 EFIELO CCCCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161074268 206326542 /nfs/dbraw/zinc/32/65/42/206326542.db2.gz KZAMGTVJROYADY-HUUCEWRRSA-N 1 2 344.377 2.729 10 70 EFIELO CCCCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161074268 206326546 /nfs/dbraw/zinc/32/65/46/206326546.db2.gz KZAMGTVJROYADY-HUUCEWRRSA-N 1 2 344.377 2.729 10 70 EFIELO CC[C@@H](C(=O)NCCc1cn2ccccc2[nH+]1)c1c(C)noc1C ZINC000159399892 310686910 /nfs/dbraw/zinc/68/69/10/310686910.db2.gz MBTCSXDIHQZZIX-OAHLLOKOSA-N 1 2 326.400 2.792 10 70 EFIELO Cc1[nH]c(=O)ccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000161374062 310708549 /nfs/dbraw/zinc/70/85/49/310708549.db2.gz QIHWMYQTIZLZBI-CQSZACIVSA-N 1 2 343.402 2.754 10 70 EFIELO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@@H]2c2nc[nH]n2)CC1 ZINC000161357592 473229239 /nfs/dbraw/zinc/22/92/39/473229239.db2.gz TWVDCBZPAAOIEM-OAHLLOKOSA-N 1 2 333.480 2.616 10 70 EFIELO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCCC[C@@H]2c2nc[nH]n2)CC1 ZINC000161357592 473229243 /nfs/dbraw/zinc/22/92/43/473229243.db2.gz TWVDCBZPAAOIEM-OAHLLOKOSA-N 1 2 333.480 2.616 10 70 EFIELO COc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1F ZINC000161417710 473233615 /nfs/dbraw/zinc/23/36/15/473233615.db2.gz WULXHQUNMJROFY-UHFFFAOYSA-N 1 2 325.343 2.950 10 70 EFIELO CCOC(=O)C[N@@H+]1CCCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159625318 473045502 /nfs/dbraw/zinc/04/55/02/473045502.db2.gz LWAFUZFZHFXJGZ-UHFFFAOYSA-N 1 2 349.381 2.588 10 70 EFIELO CCOC(=O)C[N@H+]1CCCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159625318 473045505 /nfs/dbraw/zinc/04/55/05/473045505.db2.gz LWAFUZFZHFXJGZ-UHFFFAOYSA-N 1 2 349.381 2.588 10 70 EFIELO Fc1cc(F)c2nccc(N3CC[NH+](Cc4ccon4)CC3)c2c1 ZINC000159680451 473051160 /nfs/dbraw/zinc/05/11/60/473051160.db2.gz OCCQMOYVDYYFPI-UHFFFAOYSA-N 1 2 330.338 2.823 10 70 EFIELO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160042018 473083407 /nfs/dbraw/zinc/08/34/07/473083407.db2.gz ZIMYCZQOQAUBOS-ZBFHGGJFSA-N 1 2 345.393 2.960 10 70 EFIELO CC(C)COc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160169356 473092691 /nfs/dbraw/zinc/09/26/91/473092691.db2.gz QKCLAKMYEVIGIJ-MRXNPFEDSA-N 1 2 327.428 2.797 10 70 EFIELO CCOCCC1(CNC(=O)NCc2ccc[nH+]c2N(C)C)CCC1 ZINC000160246088 473100811 /nfs/dbraw/zinc/10/08/11/473100811.db2.gz FDPZRWXLZVTDMF-UHFFFAOYSA-N 1 2 334.464 2.544 10 70 EFIELO CCC1(CC)[C@@H](NC(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1OC ZINC000160248350 473101122 /nfs/dbraw/zinc/10/11/22/473101122.db2.gz ULXQPGIWKXLVHS-GJZGRUSLSA-N 1 2 334.464 2.541 10 70 EFIELO Cc1cc(N[C@H]2CCCCC[C@H]2C(N)=O)nc(-c2ccncc2)[nH+]1 ZINC000160736415 473168430 /nfs/dbraw/zinc/16/84/30/473168430.db2.gz IVIWIQWLMOLNMS-CABCVRRESA-N 1 2 325.416 2.693 10 70 EFIELO Cc1cc(N[C@@H]2CCCCC[C@@H]2C(N)=O)nc(-c2ccncc2)[nH+]1 ZINC000160736044 473168474 /nfs/dbraw/zinc/16/84/74/473168474.db2.gz IVIWIQWLMOLNMS-LSDHHAIUSA-N 1 2 325.416 2.693 10 70 EFIELO CCCC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000160794976 473176318 /nfs/dbraw/zinc/17/63/18/473176318.db2.gz PSGWCTPLGOQBBE-KRWDZBQOSA-N 1 2 347.484 2.866 10 70 EFIELO CCCC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000160794976 473176322 /nfs/dbraw/zinc/17/63/22/473176322.db2.gz PSGWCTPLGOQBBE-KRWDZBQOSA-N 1 2 347.484 2.866 10 70 EFIELO CC[C@H](CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C)cc1 ZINC000160384974 522104128 /nfs/dbraw/zinc/10/41/28/522104128.db2.gz YYPYRWTWBJTWBZ-VQIMIIECSA-N 1 2 330.472 2.858 10 70 EFIELO CC[C@H](CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(C)cc1 ZINC000160384974 522104136 /nfs/dbraw/zinc/10/41/36/522104136.db2.gz YYPYRWTWBJTWBZ-VQIMIIECSA-N 1 2 330.472 2.858 10 70 EFIELO Cc1noc([C@H](C)N2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000159381583 225207536 /nfs/dbraw/zinc/20/75/36/225207536.db2.gz BGSVKLLLVRLECT-HNNXBMFYSA-N 1 2 342.443 2.638 10 70 EFIELO O=C([C@H]1C[C@H]1C1CCCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159789095 225278504 /nfs/dbraw/zinc/27/85/04/225278504.db2.gz OTPMODCGRZIGAQ-OALUTQOASA-N 1 2 327.472 2.942 10 70 EFIELO Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000160061726 225329582 /nfs/dbraw/zinc/32/95/82/225329582.db2.gz FXZCPTXNANUQGT-CJNGLKHVSA-N 1 2 344.459 3.000 10 70 EFIELO COc1ccc(-c2nc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)no2)cc1 ZINC000161110621 544810334 /nfs/dbraw/zinc/81/03/34/544810334.db2.gz SXAUKOGSTWYJFX-DNVCBOLYSA-N 1 2 343.427 2.872 10 70 EFIELO COc1ccc(-c2nc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)no2)cc1 ZINC000161110621 544810336 /nfs/dbraw/zinc/81/03/36/544810336.db2.gz SXAUKOGSTWYJFX-DNVCBOLYSA-N 1 2 343.427 2.872 10 70 EFIELO O[C@]12CCCC[C@@H]1C[N@H+](Cc1noc(Cc3ccccc3)n1)CC2 ZINC000161146484 544811601 /nfs/dbraw/zinc/81/16/01/544811601.db2.gz NYLRFWWGWFKPBO-APWZRJJASA-N 1 2 327.428 2.787 10 70 EFIELO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1noc(Cc3ccccc3)n1)CC2 ZINC000161146484 544811604 /nfs/dbraw/zinc/81/16/04/544811604.db2.gz NYLRFWWGWFKPBO-APWZRJJASA-N 1 2 327.428 2.787 10 70 EFIELO C[C@H](c1cccc(F)c1)[NH+]1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000159468559 544796882 /nfs/dbraw/zinc/79/68/82/544796882.db2.gz QDWAEEQVXGFBRS-APWZRJJASA-N 1 2 336.451 2.700 10 70 EFIELO CCCCn1ncc(NC(=O)NCc2ccc[nH+]c2N(C)C)c1C ZINC000159903847 310692832 /nfs/dbraw/zinc/69/28/32/310692832.db2.gz RGRUOGAOXJDPFD-UHFFFAOYSA-N 1 2 330.436 2.774 10 70 EFIELO CCN(CC)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161171096 473214135 /nfs/dbraw/zinc/21/41/35/473214135.db2.gz ZEPFDDBDHLXOQY-HUUCEWRRSA-N 1 2 344.377 2.682 10 70 EFIELO CCN(CC)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161171096 473214138 /nfs/dbraw/zinc/21/41/38/473214138.db2.gz ZEPFDDBDHLXOQY-HUUCEWRRSA-N 1 2 344.377 2.682 10 70 EFIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000161422462 473234294 /nfs/dbraw/zinc/23/42/94/473234294.db2.gz ALVUNELDVLFGOB-OAHLLOKOSA-N 1 2 338.415 2.728 10 70 EFIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000161422462 473234295 /nfs/dbraw/zinc/23/42/95/473234295.db2.gz ALVUNELDVLFGOB-OAHLLOKOSA-N 1 2 338.415 2.728 10 70 EFIELO COC(=O)c1cc(F)ccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161508208 473240464 /nfs/dbraw/zinc/24/04/64/473240464.db2.gz FYWBFBVVRLUDTL-AWEZNQCLSA-N 1 2 349.324 2.748 10 70 EFIELO C[C@@H](C(=O)NC(C)(C)C)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159491598 473033272 /nfs/dbraw/zinc/03/32/72/473033272.db2.gz DKQPVLVHUAKNJF-GJZGRUSLSA-N 1 2 335.467 2.808 10 70 EFIELO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159491598 473033274 /nfs/dbraw/zinc/03/32/74/473033274.db2.gz DKQPVLVHUAKNJF-GJZGRUSLSA-N 1 2 335.467 2.808 10 70 EFIELO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(n2cncn2)CC1 ZINC000159911244 473072114 /nfs/dbraw/zinc/07/21/14/473072114.db2.gz FOBVGMFBZDLELJ-CQSZACIVSA-N 1 2 338.415 2.650 10 70 EFIELO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160272900 473103731 /nfs/dbraw/zinc/10/37/31/473103731.db2.gz CZJRUGJDXDSNQX-GJZGRUSLSA-N 1 2 338.415 2.518 10 70 EFIELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1(c2cccs2)CCCCC1 ZINC000160414113 473119551 /nfs/dbraw/zinc/11/95/51/473119551.db2.gz DBPVZGYMTYUWHD-MRXNPFEDSA-N 1 2 348.512 2.929 10 70 EFIELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1(c2cccs2)CCCCC1 ZINC000160414113 473119559 /nfs/dbraw/zinc/11/95/59/473119559.db2.gz DBPVZGYMTYUWHD-MRXNPFEDSA-N 1 2 348.512 2.929 10 70 EFIELO CCc1ccc([C@@H](C)CC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160435893 473124836 /nfs/dbraw/zinc/12/48/36/473124836.db2.gz HSMZHKXQPZCPSM-KXBFYZLASA-N 1 2 330.472 2.722 10 70 EFIELO CCc1ccc([C@@H](C)CC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160435893 473124842 /nfs/dbraw/zinc/12/48/42/473124842.db2.gz HSMZHKXQPZCPSM-KXBFYZLASA-N 1 2 330.472 2.722 10 70 EFIELO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1nc(C)ccc1O ZINC000160644425 473154979 /nfs/dbraw/zinc/15/49/79/473154979.db2.gz BNBXRPXZSHECGD-UHFFFAOYSA-N 1 2 329.400 2.565 10 70 EFIELO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1nc(C)ccc1O ZINC000160644425 473154988 /nfs/dbraw/zinc/15/49/88/473154988.db2.gz BNBXRPXZSHECGD-UHFFFAOYSA-N 1 2 329.400 2.565 10 70 EFIELO C[C@]1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCS1 ZINC000160677655 473160417 /nfs/dbraw/zinc/16/04/17/473160417.db2.gz FTIZDYRIECARFU-QGZVFWFLSA-N 1 2 334.489 2.635 10 70 EFIELO Cc1cc([C@@H]2CN(C(=O)NCCCn3cc[nH+]c3)CCO2)ccc1F ZINC000160732359 473167343 /nfs/dbraw/zinc/16/73/43/473167343.db2.gz BOUCVKRRSNHTLG-KRWDZBQOSA-N 1 2 346.406 2.504 10 70 EFIELO CC[C@](C)(O)C[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000160763776 473171955 /nfs/dbraw/zinc/17/19/55/473171955.db2.gz JKXUIWRSWIUAMA-GJZGRUSLSA-N 1 2 328.250 2.983 10 70 EFIELO CC[C@](C)(O)C[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000160763776 473171963 /nfs/dbraw/zinc/17/19/63/473171963.db2.gz JKXUIWRSWIUAMA-GJZGRUSLSA-N 1 2 328.250 2.983 10 70 EFIELO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000160807905 473177223 /nfs/dbraw/zinc/17/72/23/473177223.db2.gz ITURVRZAPWASIS-LSDHHAIUSA-N 1 2 328.250 2.983 10 70 EFIELO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000160807905 473177227 /nfs/dbraw/zinc/17/72/27/473177227.db2.gz ITURVRZAPWASIS-LSDHHAIUSA-N 1 2 328.250 2.983 10 70 EFIELO CCCCOC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160664279 520705551 /nfs/dbraw/zinc/70/55/51/520705551.db2.gz DKANZYLTJHKWRK-HNNXBMFYSA-N 1 2 334.464 2.875 10 70 EFIELO CCCCOC(=O)CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160664279 520705557 /nfs/dbraw/zinc/70/55/57/520705557.db2.gz DKANZYLTJHKWRK-HNNXBMFYSA-N 1 2 334.464 2.875 10 70 EFIELO Cc1cccc(OCC[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159667001 225258662 /nfs/dbraw/zinc/25/86/62/225258662.db2.gz DOQXVQHHUQWXAN-AEFFLSMTSA-N 1 2 331.412 2.791 10 70 EFIELO Cc1cccc(OCC[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159667001 225258667 /nfs/dbraw/zinc/25/86/67/225258667.db2.gz DOQXVQHHUQWXAN-AEFFLSMTSA-N 1 2 331.412 2.791 10 70 EFIELO Cc1cccc(NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161214816 310707136 /nfs/dbraw/zinc/70/71/36/310707136.db2.gz NJXYZHATRYDIID-HNNXBMFYSA-N 1 2 330.350 2.569 10 70 EFIELO CC(C)[C@H](O)CC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000161097493 473206333 /nfs/dbraw/zinc/20/63/33/473206333.db2.gz IDXOXQDUSCWXNJ-RHSMWYFYSA-N 1 2 338.879 2.952 10 70 EFIELO CC[C@H]([NH2+][C@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1nccs1 ZINC000161125694 473209163 /nfs/dbraw/zinc/20/91/63/473209163.db2.gz UPKKVGRZRNYNDQ-NEPJUHHUSA-N 1 2 344.440 2.558 10 70 EFIELO C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000161170482 473214073 /nfs/dbraw/zinc/21/40/73/473214073.db2.gz GRMSUGBKFODKDE-KZNAEPCWSA-N 1 2 340.508 2.589 10 70 EFIELO C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000161170482 473214075 /nfs/dbraw/zinc/21/40/75/473214075.db2.gz GRMSUGBKFODKDE-KZNAEPCWSA-N 1 2 340.508 2.589 10 70 EFIELO COc1ccc([C@H](NC(=O)C2=C(C)OCCC2)c2[nH+]ccn2C)cc1 ZINC000161406933 473233014 /nfs/dbraw/zinc/23/30/14/473233014.db2.gz BBBQXKUWWPPBSX-KRWDZBQOSA-N 1 2 341.411 2.719 10 70 EFIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000161421377 473234937 /nfs/dbraw/zinc/23/49/37/473234937.db2.gz LJUCJZMFGPTABZ-GFCCVEGCSA-N 1 2 344.444 2.789 10 70 EFIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000161421377 473234940 /nfs/dbraw/zinc/23/49/40/473234940.db2.gz LJUCJZMFGPTABZ-GFCCVEGCSA-N 1 2 344.444 2.789 10 70 EFIELO COc1nc(C)nc(N(C)Cc2[nH+]ccn2Cc2ccccc2)c1C ZINC000159728931 473054825 /nfs/dbraw/zinc/05/48/25/473054825.db2.gz METNXPOOVMCYCR-UHFFFAOYSA-N 1 2 337.427 2.983 10 70 EFIELO CCCCOC(=O)[C@H](C)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000159745129 473056742 /nfs/dbraw/zinc/05/67/42/473056742.db2.gz UKJMZAJURVIBOJ-HNNXBMFYSA-N 1 2 338.492 2.879 10 70 EFIELO COC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160153128 473090784 /nfs/dbraw/zinc/09/07/84/473090784.db2.gz JWORUJQMCPJENJ-AAEUAGOBSA-N 1 2 333.363 2.617 10 70 EFIELO COC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160153128 473090791 /nfs/dbraw/zinc/09/07/91/473090791.db2.gz JWORUJQMCPJENJ-AAEUAGOBSA-N 1 2 333.363 2.617 10 70 EFIELO CCCn1cc(C[N@H+](CC)CC(=O)NCc2ccc(F)cc2)cn1 ZINC000160233784 473099404 /nfs/dbraw/zinc/09/94/04/473099404.db2.gz GUQLAWNATKLYJI-UHFFFAOYSA-N 1 2 332.423 2.571 10 70 EFIELO CCCn1cc(C[N@@H+](CC)CC(=O)NCc2ccc(F)cc2)cn1 ZINC000160233784 473099408 /nfs/dbraw/zinc/09/94/08/473099408.db2.gz GUQLAWNATKLYJI-UHFFFAOYSA-N 1 2 332.423 2.571 10 70 EFIELO Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc[nH+]c2N(C)C)n1 ZINC000160250252 473101461 /nfs/dbraw/zinc/10/14/61/473101461.db2.gz SHHBGPRYDCFOLV-KRWDZBQOSA-N 1 2 339.443 2.898 10 70 EFIELO CCCCOC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000160387965 473115656 /nfs/dbraw/zinc/11/56/56/473115656.db2.gz BAVQZSMBGWIHFZ-CYBMUJFWSA-N 1 2 336.432 2.514 10 70 EFIELO CC(C)(C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1Cl ZINC000160402629 473117926 /nfs/dbraw/zinc/11/79/26/473117926.db2.gz JVXUFQPHZYESPK-AWEZNQCLSA-N 1 2 336.863 2.597 10 70 EFIELO CC(C)(C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1Cl ZINC000160402629 473117932 /nfs/dbraw/zinc/11/79/32/473117932.db2.gz JVXUFQPHZYESPK-AWEZNQCLSA-N 1 2 336.863 2.597 10 70 EFIELO CCc1ccc([C@H](C)CC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160436016 473124303 /nfs/dbraw/zinc/12/43/03/473124303.db2.gz HSMZHKXQPZCPSM-BEFAXECRSA-N 1 2 330.472 2.722 10 70 EFIELO CCc1ccc([C@H](C)CC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160436016 473124309 /nfs/dbraw/zinc/12/43/09/473124309.db2.gz HSMZHKXQPZCPSM-BEFAXECRSA-N 1 2 330.472 2.722 10 70 EFIELO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1OCCC(C)C ZINC000160452022 473127434 /nfs/dbraw/zinc/12/74/34/473127434.db2.gz GKMAGRJNJODIQP-QGZVFWFLSA-N 1 2 349.475 2.872 10 70 EFIELO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1OCCC(C)C ZINC000160452022 473127441 /nfs/dbraw/zinc/12/74/41/473127441.db2.gz GKMAGRJNJODIQP-QGZVFWFLSA-N 1 2 349.475 2.872 10 70 EFIELO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000160482365 473131777 /nfs/dbraw/zinc/13/17/77/473131777.db2.gz ORGJPNYTZOSJFQ-KBPBESRZSA-N 1 2 331.366 2.846 10 70 EFIELO C[C@H](O)[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000160932491 473192691 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C[C@H](c1cccc(F)c1)[NH+]1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000159468804 544796320 /nfs/dbraw/zinc/79/63/20/544796320.db2.gz QDWAEEQVXGFBRS-VQIMIIECSA-N 1 2 336.451 2.700 10 70 EFIELO CCC[C@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000160324012 310697493 /nfs/dbraw/zinc/69/74/93/310697493.db2.gz DGDYSFFWZRBOMI-SFHVURJKSA-N 1 2 342.443 2.642 10 70 EFIELO Cc1cc(N[C@H]2CCCCC[C@@H]2C(N)=O)nc(-c2ccncc2)[nH+]1 ZINC000160736182 310702032 /nfs/dbraw/zinc/70/20/32/310702032.db2.gz IVIWIQWLMOLNMS-GJZGRUSLSA-N 1 2 325.416 2.693 10 70 EFIELO Cc1cc([C@H]2CN(C(=O)N[C@H](C)Cn3cc[nH+]c3)CCO2)ccc1F ZINC000160739016 310702393 /nfs/dbraw/zinc/70/23/93/310702393.db2.gz MFWHNHLVBLROFU-RHSMWYFYSA-N 1 2 346.406 2.502 10 70 EFIELO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 ZINC000161011520 310705009 /nfs/dbraw/zinc/70/50/09/310705009.db2.gz FYEIEZGJTPJGIA-HNNXBMFYSA-N 1 2 336.501 2.869 10 70 EFIELO Cc1cccc(NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161214921 473218271 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CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160481968 473131088 /nfs/dbraw/zinc/13/10/88/473131088.db2.gz ORGJPNYTZOSJFQ-ZIAGYGMSSA-N 1 2 331.366 2.846 10 70 EFIELO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000160482917 473131219 /nfs/dbraw/zinc/13/12/19/473131219.db2.gz HWKCEICGZUQCJB-DZGCQCFKSA-N 1 2 331.366 2.846 10 70 EFIELO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000160483038 473131304 /nfs/dbraw/zinc/13/13/04/473131304.db2.gz HWKCEICGZUQCJB-ZFWWWQNUSA-N 1 2 331.366 2.846 10 70 EFIELO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160482658 473131710 /nfs/dbraw/zinc/13/17/10/473131710.db2.gz HWKCEICGZUQCJB-UKRRQHHQSA-N 1 2 331.366 2.846 10 70 EFIELO CC(C)S(=O)(=O)CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000160490570 473132524 /nfs/dbraw/zinc/13/25/24/473132524.db2.gz CZQYEQPYIBKVME-UHFFFAOYSA-N 1 2 344.908 2.675 10 70 EFIELO Cc1cc([C@@H]2CN(C(=O)N[C@@H](C)Cn3cc[nH+]c3)CCO2)ccc1F ZINC000160738626 473168948 /nfs/dbraw/zinc/16/89/48/473168948.db2.gz MFWHNHLVBLROFU-YOEHRIQHSA-N 1 2 346.406 2.502 10 70 EFIELO O=C(NCCCNc1cccc[nH+]1)N1CCO[C@@H](c2cccs2)C1 ZINC000161036984 473201111 /nfs/dbraw/zinc/20/11/11/473201111.db2.gz YNBQCSSBSSRDNF-CQSZACIVSA-N 1 2 346.456 2.728 10 70 EFIELO O=C(NCCCCOCc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161050458 473201661 /nfs/dbraw/zinc/20/16/61/473201661.db2.gz OORLOFMIZQVZDY-QGZVFWFLSA-N 1 2 327.428 2.559 10 70 EFIELO COc1c(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(C)nn1C ZINC000160625839 206306890 /nfs/dbraw/zinc/30/68/90/206306890.db2.gz WOHBFLDRFCPTDF-UHFFFAOYSA-N 1 2 325.359 2.971 10 70 EFIELO COc1c(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(C)nn1C ZINC000160625839 206306894 /nfs/dbraw/zinc/30/68/94/206306894.db2.gz WOHBFLDRFCPTDF-UHFFFAOYSA-N 1 2 325.359 2.971 10 70 EFIELO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160699327 206310164 /nfs/dbraw/zinc/31/01/64/206310164.db2.gz BUWAYWSDYBIRFU-IRXDYDNUSA-N 1 2 346.381 2.604 10 70 EFIELO C[N@H+]1CC[C@H](NC(=O)NCc2ccccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160699327 206310168 /nfs/dbraw/zinc/31/01/68/206310168.db2.gz BUWAYWSDYBIRFU-IRXDYDNUSA-N 1 2 346.381 2.604 10 70 EFIELO CCCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161074401 206327230 /nfs/dbraw/zinc/32/72/30/206327230.db2.gz KZAMGTVJROYADY-LSDHHAIUSA-N 1 2 344.377 2.729 10 70 EFIELO CCCCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161074401 206327235 /nfs/dbraw/zinc/32/72/35/206327235.db2.gz KZAMGTVJROYADY-LSDHHAIUSA-N 1 2 344.377 2.729 10 70 EFIELO CCCC[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(=O)OC(C)(C)C ZINC000161203143 206334645 /nfs/dbraw/zinc/33/46/45/206334645.db2.gz STODLMHIYBHOBW-OAHLLOKOSA-N 1 2 345.443 2.894 10 70 EFIELO O=C([C@@H](Cc1ccccc1)Nc1cc[nH+]c(C2CC2)n1)N1CCCC1 ZINC000161319722 206340674 /nfs/dbraw/zinc/34/06/74/206340674.db2.gz OTRHWGBHZRYNKI-QGZVFWFLSA-N 1 2 336.439 3.000 10 70 EFIELO COc1c(C)cnc(C[NH+]2CCN(c3ccccc3O)CC2)c1C ZINC000160966164 533412609 /nfs/dbraw/zinc/41/26/09/533412609.db2.gz XGNILEVAKSIDCG-UHFFFAOYSA-N 1 2 327.428 2.735 10 70 EFIELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000159468684 544796010 /nfs/dbraw/zinc/79/60/10/544796010.db2.gz QDWAEEQVXGFBRS-QFBILLFUSA-N 1 2 336.451 2.700 10 70 EFIELO CC(C)[C@@H](O)CC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000161097386 310706154 /nfs/dbraw/zinc/70/61/54/310706154.db2.gz IDXOXQDUSCWXNJ-YOEHRIQHSA-N 1 2 338.879 2.952 10 70 EFIELO Cc1ccccc1NC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161219681 473219183 /nfs/dbraw/zinc/21/91/83/473219183.db2.gz WAAZEDWZZMYELC-AWEZNQCLSA-N 1 2 349.456 2.714 10 70 EFIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000161348935 473228735 /nfs/dbraw/zinc/22/87/35/473228735.db2.gz SGSFEEZQFBBJNN-CQSZACIVSA-N 1 2 332.452 2.649 10 70 EFIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000161348935 473228740 /nfs/dbraw/zinc/22/87/40/473228740.db2.gz SGSFEEZQFBBJNN-CQSZACIVSA-N 1 2 332.452 2.649 10 70 EFIELO CC(C)CCn1ccc(NC(=O)NCc2ccc[nH+]c2N(C)C)n1 ZINC000161438110 473235698 /nfs/dbraw/zinc/23/56/98/473235698.db2.gz RDABEZBBNVESBC-UHFFFAOYSA-N 1 2 330.436 2.712 10 70 EFIELO O=C(Cc1c[nH]c2cc(F)ccc12)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000161461705 473237134 /nfs/dbraw/zinc/23/71/34/473237134.db2.gz JIRZNOYHHQQHAG-UHFFFAOYSA-N 1 2 349.369 2.747 10 70 EFIELO Cc1[nH]nc(C(C)C)c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159553883 473038909 /nfs/dbraw/zinc/03/89/09/473038909.db2.gz UAHBOSWROSZPFM-UHFFFAOYSA-N 1 2 327.432 2.767 10 70 EFIELO Cc1n[nH]c(C(C)C)c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159553883 473038915 /nfs/dbraw/zinc/03/89/15/473038915.db2.gz UAHBOSWROSZPFM-UHFFFAOYSA-N 1 2 327.432 2.767 10 70 EFIELO Cc1[nH]nc(C(C)C)c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159754515 473058496 /nfs/dbraw/zinc/05/84/96/473058496.db2.gz SBSZZVKNXAPGCL-UHFFFAOYSA-N 1 2 327.432 2.767 10 70 EFIELO Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159754515 473058501 /nfs/dbraw/zinc/05/85/01/473058501.db2.gz SBSZZVKNXAPGCL-UHFFFAOYSA-N 1 2 327.432 2.767 10 70 EFIELO CN(C)c1[nH+]cccc1CNC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000160251667 473100763 /nfs/dbraw/zinc/10/07/63/473100763.db2.gz KOFDMTRNFGXKIZ-UHFFFAOYSA-N 1 2 346.381 2.694 10 70 EFIELO Cc1cccc2[nH]c(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)nc21 ZINC000160360297 473112491 /nfs/dbraw/zinc/11/24/91/473112491.db2.gz DEPDQNREDHUQHB-UHFFFAOYSA-N 1 2 331.379 2.987 10 70 EFIELO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1OCCC(C)C ZINC000160452150 473127188 /nfs/dbraw/zinc/12/71/88/473127188.db2.gz GKMAGRJNJODIQP-KRWDZBQOSA-N 1 2 349.475 2.872 10 70 EFIELO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1OCCC(C)C ZINC000160452150 473127192 /nfs/dbraw/zinc/12/71/92/473127192.db2.gz GKMAGRJNJODIQP-KRWDZBQOSA-N 1 2 349.475 2.872 10 70 EFIELO CCCn1cc(C[N@H+](CC)CC(=O)Nc2cccc(OC)c2)cn1 ZINC000160648022 473156928 /nfs/dbraw/zinc/15/69/28/473156928.db2.gz NPQDLKXVJFXHSK-UHFFFAOYSA-N 1 2 330.432 2.762 10 70 EFIELO CCCn1cc(C[N@@H+](CC)CC(=O)Nc2cccc(OC)c2)cn1 ZINC000160648022 473156935 /nfs/dbraw/zinc/15/69/35/473156935.db2.gz NPQDLKXVJFXHSK-UHFFFAOYSA-N 1 2 330.432 2.762 10 70 EFIELO Cn1c(C[N@H+](C)Cc2ccc3c(c2)OCO3)nnc1-c1ccccc1 ZINC000160706216 473164468 /nfs/dbraw/zinc/16/44/68/473164468.db2.gz KJHIEAPNGDPFSW-UHFFFAOYSA-N 1 2 336.395 2.843 10 70 EFIELO Cn1c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)nnc1-c1ccccc1 ZINC000160706216 473164475 /nfs/dbraw/zinc/16/44/75/473164475.db2.gz KJHIEAPNGDPFSW-UHFFFAOYSA-N 1 2 336.395 2.843 10 70 EFIELO Cn1c(=O)cccc1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000160633397 527032343 /nfs/dbraw/zinc/03/23/43/527032343.db2.gz GQPWHONDSJXPOZ-UHFFFAOYSA-N 1 2 348.406 2.837 10 70 EFIELO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000160009611 225318393 /nfs/dbraw/zinc/31/83/93/225318393.db2.gz SBFCLYHKQXMNIY-ZDUSSCGKSA-N 1 2 348.472 2.535 10 70 EFIELO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000160009611 225318399 /nfs/dbraw/zinc/31/83/99/225318399.db2.gz SBFCLYHKQXMNIY-ZDUSSCGKSA-N 1 2 348.472 2.535 10 70 EFIELO Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000160061453 225330271 /nfs/dbraw/zinc/33/02/71/225330271.db2.gz FXZCPTXNANUQGT-CZUORRHYSA-N 1 2 344.459 3.000 10 70 EFIELO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NC2CCCC2)CC1 ZINC000159494559 310687629 /nfs/dbraw/zinc/68/76/29/310687629.db2.gz SKKXLHPJNTUTFW-OAHLLOKOSA-N 1 2 333.451 2.563 10 70 EFIELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000160429767 310698839 /nfs/dbraw/zinc/69/88/39/310698839.db2.gz WTSRNJBGFITJAX-UHFFFAOYSA-N 1 2 346.519 2.898 10 70 EFIELO C[C@@H](Oc1cccc(CO)c1)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000161440548 310709388 /nfs/dbraw/zinc/70/93/88/310709388.db2.gz AMUZAHOXAQGEFW-CQSZACIVSA-N 1 2 337.379 2.771 10 70 EFIELO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1nccs1 ZINC000161125567 473209124 /nfs/dbraw/zinc/20/91/24/473209124.db2.gz UPKKVGRZRNYNDQ-NWDGAFQWSA-N 1 2 344.440 2.558 10 70 EFIELO Cn1c[nH+]cc1CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161128374 473210268 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CC[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C)cc1 ZINC000160384828 473115640 /nfs/dbraw/zinc/11/56/40/473115640.db2.gz YYPYRWTWBJTWBZ-QFBILLFUSA-N 1 2 330.472 2.858 10 70 EFIELO CC[C@@H](CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(C)cc1 ZINC000160384828 473115642 /nfs/dbraw/zinc/11/56/42/473115642.db2.gz YYPYRWTWBJTWBZ-QFBILLFUSA-N 1 2 330.472 2.858 10 70 EFIELO CCn1cc(C2CC[NH+](Cc3cnn(-c4ccccc4)n3)CC2)cn1 ZINC000160471142 473129775 /nfs/dbraw/zinc/12/97/75/473129775.db2.gz LCBKZQAANBJESK-UHFFFAOYSA-N 1 2 336.443 2.863 10 70 EFIELO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000160763890 473172071 /nfs/dbraw/zinc/17/20/71/473172071.db2.gz JKXUIWRSWIUAMA-LSDHHAIUSA-N 1 2 328.250 2.983 10 70 EFIELO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000160763890 473172077 /nfs/dbraw/zinc/17/20/77/473172077.db2.gz JKXUIWRSWIUAMA-LSDHHAIUSA-N 1 2 328.250 2.983 10 70 EFIELO COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000160837962 473180422 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COc1ccc(-c2nc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)no2)cc1 ZINC000161110760 544809675 /nfs/dbraw/zinc/80/96/75/544809675.db2.gz SXAUKOGSTWYJFX-BEFAXECRSA-N 1 2 343.427 2.872 10 70 EFIELO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1noc(Cc3ccccc3)n1)CC2 ZINC000161146381 544810376 /nfs/dbraw/zinc/81/03/76/544810376.db2.gz NYLRFWWGWFKPBO-VQIMIIECSA-N 1 2 327.428 2.787 10 70 EFIELO O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1noc(Cc3ccccc3)n1)CC2 ZINC000161146381 544810380 /nfs/dbraw/zinc/81/03/80/544810380.db2.gz NYLRFWWGWFKPBO-VQIMIIECSA-N 1 2 327.428 2.787 10 70 EFIELO CCC[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000160323893 310697562 /nfs/dbraw/zinc/69/75/62/310697562.db2.gz DGDYSFFWZRBOMI-GOSISDBHSA-N 1 2 342.443 2.642 10 70 EFIELO CC(C)[C@@H](O)CC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000161097601 473206201 /nfs/dbraw/zinc/20/62/01/473206201.db2.gz IDXOXQDUSCWXNJ-PBHICJAKSA-N 1 2 338.879 2.952 10 70 EFIELO CCC[N@H+](Cc1cnc(CC(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161121764 473209038 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C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)C1CCOCC1 ZINC000161398344 473232539 /nfs/dbraw/zinc/23/25/39/473232539.db2.gz RSSRZPSGDVBHED-GUYCJALGSA-N 1 2 345.418 2.828 10 70 EFIELO CCC[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(=O)OC(C)(C)C ZINC000161496197 473239993 /nfs/dbraw/zinc/23/99/93/473239993.db2.gz RVZRBQSOESWAAI-CQSZACIVSA-N 1 2 331.416 2.503 10 70 EFIELO CCC1CCC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000159438285 473028922 /nfs/dbraw/zinc/02/89/22/473028922.db2.gz SZBWAJFBQACOAH-UHFFFAOYSA-N 1 2 330.476 2.878 10 70 EFIELO C[C@H](c1cccc(F)c1)N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000159494821 473032182 /nfs/dbraw/zinc/03/21/82/473032182.db2.gz XXBBQBOHYPKNAY-OAHLLOKOSA-N 1 2 341.430 2.803 10 70 EFIELO C[C@H](C(=O)NC(C)(C)C)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159491871 473032970 /nfs/dbraw/zinc/03/29/70/473032970.db2.gz DKQPVLVHUAKNJF-LSDHHAIUSA-N 1 2 335.467 2.808 10 70 EFIELO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000159491871 473032978 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C[C@H](O)[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000160932732 473192312 /nfs/dbraw/zinc/19/23/12/473192312.db2.gz XAUSPEKRDRMPPU-QWRGUYRKSA-N 1 2 338.249 2.918 10 70 EFIELO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2c(F)cccc2OC)cc1 ZINC000160975389 473195657 /nfs/dbraw/zinc/19/56/57/473195657.db2.gz SIUYMVSTHNHRHN-ZDUSSCGKSA-N 1 2 346.402 2.810 10 70 EFIELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000160980681 473196419 /nfs/dbraw/zinc/19/64/19/473196419.db2.gz IZHWZZFALLCWEC-CYBMUJFWSA-N 1 2 346.500 2.546 10 70 EFIELO CC(C)(C)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161043544 473202076 /nfs/dbraw/zinc/20/20/76/473202076.db2.gz PHWKSBNJLLCQFI-UONOGXRCSA-N 1 2 344.377 2.728 10 70 EFIELO CC(C)(C)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161043544 473202078 /nfs/dbraw/zinc/20/20/78/473202078.db2.gz PHWKSBNJLLCQFI-UONOGXRCSA-N 1 2 344.377 2.728 10 70 EFIELO O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159788710 534601999 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