smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2ccc([O-])c(C[NH+]3CCN(c4ccccc4)CC3)c2c1 ZINC000022384856 212294713 /nfs/dbraw/zinc/29/47/13/212294713.db2.gz ONSSVDAUOPJQLJ-UHFFFAOYSA-N 0 3 348.446 3.876 50 10 EHCAHN Cc1c([C@@H](C)[NH2+]Cc2ccccc2[O-])cnn1-c1ccc(F)cc1 ZINC000071792566 203113586 /nfs/dbraw/zinc/11/35/86/203113586.db2.gz GEJIWEJSQSJSOK-CYBMUJFWSA-N 0 3 325.387 3.876 50 10 EHCAHN CC[C@H](Nc1ccccc1CN1CCC(O)CC1)c1ccccc1O ZINC000157325080 206129333 /nfs/dbraw/zinc/12/93/33/206129333.db2.gz GSRKNWDUUIZULS-IBGZPJMESA-N 0 3 340.467 3.912 50 10 EHCAHN COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(C)C)C2)c1[O-] ZINC000020773898 202054695 /nfs/dbraw/zinc/05/46/95/202054695.db2.gz RAGULENTXJTUKK-AWEZNQCLSA-N 0 3 329.444 3.627 50 10 EHCAHN COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(C)C)C2)c1[O-] ZINC000020773898 202054698 /nfs/dbraw/zinc/05/46/98/202054698.db2.gz RAGULENTXJTUKK-AWEZNQCLSA-N 0 3 329.444 3.627 50 10 EHCAHN COc1cc(C)cc(CN(C)[C@H]2CCCc3nc(C)sc32)c1O ZINC000164321514 564013839 /nfs/dbraw/zinc/01/38/39/564013839.db2.gz PKCSRDOBAQURJA-HNNXBMFYSA-N 0 3 332.469 3.984 50 10 EHCAHN c1ccc2c(c1)SCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000008428759 564165275 /nfs/dbraw/zinc/16/52/75/564165275.db2.gz WGWDSQHHEKDGQQ-IBGZPJMESA-N 0 3 340.492 3.850 50 10 EHCAHN Cc1noc([C@H]2CCN(Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 ZINC000408519728 563993102 /nfs/dbraw/zinc/99/31/02/563993102.db2.gz VXZKLSZGOYKGAU-SFHVURJKSA-N 0 3 340.471 3.666 50 10 EHCAHN Cc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000065297858 564104837 /nfs/dbraw/zinc/10/48/37/564104837.db2.gz HASAJFUFSFELJK-HXUWFJFHSA-N 0 3 349.478 3.646 50 10 biogenic EHCAHN Cc1cc(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000022932817 202095500 /nfs/dbraw/zinc/09/55/00/202095500.db2.gz PIGVIZZFNABFSE-RMKNXTFCSA-N 0 3 336.479 3.840 50 10 EHCAHN CC[C@H](N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000156912474 206105515 /nfs/dbraw/zinc/10/55/15/206105515.db2.gz CPESEZYJNYEXHY-GJZGRUSLSA-N 0 3 325.330 3.584 50 10 EHCAHN Cc1nn(-c2ccccc2)c(C)c1CNCc1ccc(N(C)C)cc1 ZINC000012533193 207166752 /nfs/dbraw/zinc/16/67/52/207166752.db2.gz DXDCWYSUISRDOQ-UHFFFAOYSA-N 0 3 334.467 3.845 50 10 EHCAHN CCOc1ccc(O)c(CN[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000078394087 202389750 /nfs/dbraw/zinc/38/97/50/202389750.db2.gz XUBDRVKSUNVUMI-CYBMUJFWSA-N 0 3 328.412 3.600 50 10 EHCAHN CCOc1ccc(O)c(CN[C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000078394083 202390656 /nfs/dbraw/zinc/39/06/56/202390656.db2.gz XUBDRVKSUNVUMI-ZDUSSCGKSA-N 0 3 328.412 3.600 50 10 EHCAHN CC[C@H](N[C@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000156912754 206106526 /nfs/dbraw/zinc/10/65/26/206106526.db2.gz CPESEZYJNYEXHY-LSDHHAIUSA-N 0 3 325.330 3.584 50 10 EHCAHN CCOc1cccc(CN(Cc2ccsc2)[C@H](CC)CO)c1O ZINC000055307999 563934287 /nfs/dbraw/zinc/93/42/87/563934287.db2.gz SMQJBJQDUIRDSK-MRXNPFEDSA-N 0 3 335.469 3.626 50 10 EHCAHN CC[C@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccccc1[O-] ZINC000095940785 564142016 /nfs/dbraw/zinc/14/20/16/564142016.db2.gz SCPOEKPLWIWJCU-FQEVSTJZSA-N 0 3 339.483 3.535 50 10 EHCAHN CN(C)c1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1F ZINC000069898441 203062692 /nfs/dbraw/zinc/06/26/92/203062692.db2.gz MQQVIXQFJUPYIS-UHFFFAOYSA-N 0 3 346.421 3.826 50 10 EHCAHN COc1cc(Br)cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[O-] ZINC000004988648 563517873 /nfs/dbraw/zinc/51/78/73/563517873.db2.gz CQTBQBLBDYGNTD-QWRGUYRKSA-N 0 3 328.250 3.641 50 10 EHCAHN Cc1ccc([O-])c(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)c1 ZINC000065383138 563959060 /nfs/dbraw/zinc/95/90/60/563959060.db2.gz RWWRAXCKLXUBDD-OAQYLSRUSA-N 0 3 325.452 3.516 50 10 EHCAHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)c1 ZINC000065533788 563961959 /nfs/dbraw/zinc/96/19/59/563961959.db2.gz IIWJLXJGTOGXNR-HNNXBMFYSA-N 0 3 329.444 3.662 50 10 EHCAHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)c1 ZINC000065533788 563961960 /nfs/dbraw/zinc/96/19/60/563961960.db2.gz IIWJLXJGTOGXNR-HNNXBMFYSA-N 0 3 329.444 3.662 50 10 EHCAHN COc1cccc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c1[O-] ZINC000012753677 563670167 /nfs/dbraw/zinc/67/01/67/563670167.db2.gz SDYSNRLYTMXSSH-KRWDZBQOSA-N 0 3 330.403 3.616 50 10 EHCAHN COc1cccc(C[N@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c1[O-] ZINC000012753677 563670169 /nfs/dbraw/zinc/67/01/69/563670169.db2.gz SDYSNRLYTMXSSH-KRWDZBQOSA-N 0 3 330.403 3.616 50 10 EHCAHN O=C(Nc1ccc(CNCc2ccc3c(c2)CCO3)cc1)c1ccco1 ZINC000058203400 563939818 /nfs/dbraw/zinc/93/98/18/563939818.db2.gz KOMABFXKJRNELS-UHFFFAOYSA-N 0 3 348.402 3.757 50 10 EHCAHN Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(N(C)C)cc1 ZINC000015581966 201958020 /nfs/dbraw/zinc/95/80/20/201958020.db2.gz UBFIXJRYUUQONO-UHFFFAOYSA-N 0 3 348.494 3.904 50 10 EHCAHN CCOCc1cc(CN[C@H]2CCCc3c2cnn3CC)ccc1OC ZINC000072298402 202362927 /nfs/dbraw/zinc/36/29/27/202362927.db2.gz YTAXPWNEDOHXAJ-SFHVURJKSA-N 0 3 343.471 3.615 50 10 EHCAHN Cc1cc([O-])c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1C ZINC000071886817 203138360 /nfs/dbraw/zinc/13/83/60/203138360.db2.gz BXQAESMPEBOYST-UHFFFAOYSA-N 0 3 329.415 3.944 50 10 EHCAHN C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1c([O-])ccc2ccccc21 ZINC000012785012 564070231 /nfs/dbraw/zinc/07/02/31/564070231.db2.gz UARDHAINVJRHSG-UHFFFAOYSA-N 0 3 335.403 3.949 50 10 EHCAHN C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c([O-])ccc2ccccc21 ZINC000012785012 564070232 /nfs/dbraw/zinc/07/02/32/564070232.db2.gz UARDHAINVJRHSG-UHFFFAOYSA-N 0 3 335.403 3.949 50 10 EHCAHN [O-]c1ccccc1C[NH2+]CCCCCC[NH2+]Cc1ccccc1[O-] ZINC000002343991 564132411 /nfs/dbraw/zinc/13/24/11/564132411.db2.gz DHSAOPPPTOFPHV-UHFFFAOYSA-N 0 3 328.456 3.538 50 10 EHCAHN Cc1ccc(CN[C@H](C)c2ccc(N3CCC(O)CC3)cc2)s1 ZINC000095420457 564139901 /nfs/dbraw/zinc/13/99/01/564139901.db2.gz XOEGIUDEONAZKQ-OAHLLOKOSA-N 0 3 330.497 3.868 50 10 EHCAHN Cc1ccc(C(C)C)c([O-])c1C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000095996994 564144303 /nfs/dbraw/zinc/14/43/03/564144303.db2.gz VZMNAYBXVJVILN-KRWDZBQOSA-N 0 3 344.499 3.562 50 10 EHCAHN Cc1ccc(C(C)C)c([O-])c1C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000095996994 564144304 /nfs/dbraw/zinc/14/43/04/564144304.db2.gz VZMNAYBXVJVILN-KRWDZBQOSA-N 0 3 344.499 3.562 50 10 EHCAHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(C)C)C1 ZINC000023129897 202099349 /nfs/dbraw/zinc/09/93/49/202099349.db2.gz YHFJHAHJSVGFCZ-AWEZNQCLSA-N 0 3 329.444 3.627 50 10 EHCAHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2n[nH]cc2C(C)C)C1 ZINC000023129897 202099352 /nfs/dbraw/zinc/09/93/52/202099352.db2.gz YHFJHAHJSVGFCZ-AWEZNQCLSA-N 0 3 329.444 3.627 50 10 EHCAHN [O-]c1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000069566358 203019315 /nfs/dbraw/zinc/01/93/15/203019315.db2.gz HDFMBXRBPULTTP-LJQANCHMSA-N 0 3 333.435 3.804 50 10 EHCAHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nc(CC(C)C)no3)C2)c1 ZINC000065533793 563961942 /nfs/dbraw/zinc/96/19/42/563961942.db2.gz IIWJLXJGTOGXNR-OAHLLOKOSA-N 0 3 329.444 3.662 50 10 EHCAHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nc(CC(C)C)no3)C2)c1 ZINC000065533793 563961944 /nfs/dbraw/zinc/96/19/44/563961944.db2.gz IIWJLXJGTOGXNR-OAHLLOKOSA-N 0 3 329.444 3.662 50 10 EHCAHN Cc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000065297856 564104831 /nfs/dbraw/zinc/10/48/31/564104831.db2.gz HASAJFUFSFELJK-FQEVSTJZSA-N 0 3 349.478 3.646 50 10 biogenic EHCAHN CC[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1ccccc1[O-] ZINC000155654663 564139592 /nfs/dbraw/zinc/13/95/92/564139592.db2.gz RISINNULPSCKHI-KRWDZBQOSA-N 0 3 331.387 3.681 50 10 EHCAHN CCOc1cccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000078394099 202390691 /nfs/dbraw/zinc/39/06/91/202390691.db2.gz ZLNRBJZLYGBNEP-AWEZNQCLSA-N 0 3 345.439 3.967 50 10 EHCAHN CCOc1cccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1[O-] ZINC000078394099 202390694 /nfs/dbraw/zinc/39/06/94/202390694.db2.gz ZLNRBJZLYGBNEP-AWEZNQCLSA-N 0 3 345.439 3.967 50 10 EHCAHN Cc1ccc(C[NH+]2CCC(n3cc(C4CCCC4)nn3)CC2)c([O-])c1 ZINC000020167223 212108215 /nfs/dbraw/zinc/10/82/15/212108215.db2.gz CKTKCIOCAHAFOP-UHFFFAOYSA-N 0 3 340.471 3.787 50 10 EHCAHN COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cc(C)ccc3[O-])C2)c1 ZINC000065408307 563960362 /nfs/dbraw/zinc/96/03/62/563960362.db2.gz YVFQMWSYQHJSSR-OAHLLOKOSA-N 0 3 327.424 3.707 50 10 EHCAHN COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3cc(C)ccc3[O-])C2)c1 ZINC000065408307 563960364 /nfs/dbraw/zinc/96/03/64/563960364.db2.gz YVFQMWSYQHJSSR-OAHLLOKOSA-N 0 3 327.424 3.707 50 10 EHCAHN Oc1cc2c(cc1CN1CCN(C/C=C/c3ccccc3)CC1)CCC2 ZINC000022932820 202094650 /nfs/dbraw/zinc/09/46/50/202094650.db2.gz YWDJMCBGWCTAFI-VMPITWQZSA-N 0 3 348.490 3.712 50 10 EHCAHN Cc1nc(CNCCc2c(C)n3c4c2cccc4CCC3)n(C)c1C ZINC000952873162 1137482949 /nfs/dbraw/zinc/48/29/49/1137482949.db2.gz WBDFPHMERUMCAX-UHFFFAOYSA-N 0 3 336.483 3.579 50 10 EHCAHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1[O-] ZINC000155870274 201397771 /nfs/dbraw/zinc/39/77/71/201397771.db2.gz BFEOHTMAOUQYPU-VDGAXYAQSA-N 0 3 339.483 3.739 50 10 EHCAHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000012458898 563661581 /nfs/dbraw/zinc/66/15/81/563661581.db2.gz BBMPWBAUAHDDOP-AWEZNQCLSA-N 0 3 348.393 3.756 50 10 EHCAHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000012458898 563661585 /nfs/dbraw/zinc/66/15/85/563661585.db2.gz BBMPWBAUAHDDOP-AWEZNQCLSA-N 0 3 348.393 3.756 50 10 EHCAHN CC[C@@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1ccccc1[O-] ZINC000095940786 564141985 /nfs/dbraw/zinc/14/19/85/564141985.db2.gz SCPOEKPLWIWJCU-HXUWFJFHSA-N 0 3 339.483 3.535 50 10 EHCAHN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccccc1[O-] ZINC000155870047 201397088 /nfs/dbraw/zinc/39/70/88/201397088.db2.gz BFEOHTMAOUQYPU-FFZOFVMBSA-N 0 3 339.483 3.739 50 10 EHCAHN NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000005162777 563996468 /nfs/dbraw/zinc/99/64/68/563996468.db2.gz KJTUTENUUQRHAB-UHFFFAOYSA-N 0 3 349.415 3.779 50 10 EHCAHN Cc1cccc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)c1O ZINC000055060481 563933528 /nfs/dbraw/zinc/93/35/28/563933528.db2.gz VAJXGXPKAHSJJT-UHFFFAOYSA-N 0 3 325.387 3.862 50 10 EHCAHN CC[C@@H]([NH2+]C1CCN(c2ccc(C)cn2)CC1)c1ccccc1[O-] ZINC000156000959 564008661 /nfs/dbraw/zinc/00/86/61/564008661.db2.gz NMHATJDQJLLEFO-GOSISDBHSA-N 0 3 325.456 3.805 50 10 EHCAHN COc1cc(C)cc(CN(C)[C@@H]2CCCc3nc(C)sc32)c1O ZINC000164321394 533629670 /nfs/dbraw/zinc/62/96/70/533629670.db2.gz PKCSRDOBAQURJA-OAHLLOKOSA-N 0 3 332.469 3.984 50 10 EHCAHN Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000001619831 563397157 /nfs/dbraw/zinc/39/71/57/563397157.db2.gz GAAKALASJNGQKD-UHFFFAOYSA-N 0 3 349.400 3.652 50 10 in-vitro EHCAHN CCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c1[O-] ZINC000069517672 564170056 /nfs/dbraw/zinc/17/00/56/564170056.db2.gz JFFZZJTYLKKFLX-OAHLLOKOSA-N 0 3 337.423 3.827 50 10 EHCAHN Cc1cc(C)cc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000071836996 564175816 /nfs/dbraw/zinc/17/58/16/564175816.db2.gz VUPJHBWGEZBDJO-UHFFFAOYSA-N 0 3 342.458 3.693 50 10 EHCAHN CCOc1cccc(CN2CCC[C@@H]2c2c(C)noc2CC)c1O ZINC000021720892 212245256 /nfs/dbraw/zinc/24/52/56/212245256.db2.gz CYHWUERRWACGJV-OAHLLOKOSA-N 0 3 330.428 3.987 50 10 EHCAHN CCOc1cccc(CN2CCN(c3cc(C)ccc3C)CC2)c1O ZINC000016662805 563918033 /nfs/dbraw/zinc/91/80/33/563918033.db2.gz GNNWXRUMVFEIII-UHFFFAOYSA-N 0 3 340.467 3.730 50 10 EHCAHN CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1[O-] ZINC000248540271 564072371 /nfs/dbraw/zinc/07/23/71/564072371.db2.gz BFEOHTMAOUQYPU-UXPWSPDFSA-N 0 3 339.483 3.739 50 10 EHCAHN COc1cc2c(cc1OC)CN(Cc1cc(C)c(C)cc1O)CC2 ZINC000007076436 564104742 /nfs/dbraw/zinc/10/47/42/564104742.db2.gz YJWZWXONRHPKMT-UHFFFAOYSA-N 0 3 327.424 3.585 50 10 EHCAHN C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(N2CCCC2=O)c1 ZINC000065538057 564107253 /nfs/dbraw/zinc/10/72/53/564107253.db2.gz NUZLAJJDLPENCZ-OAHLLOKOSA-N 0 3 336.435 3.599 50 10 EHCAHN C[C@@H](NCc1ccc(N(C)CCO)cc1)c1ccc2c(c1)CCCC2 ZINC000008345215 564164663 /nfs/dbraw/zinc/16/46/63/564164663.db2.gz IMWYSFNOURYVGV-QGZVFWFLSA-N 0 3 338.495 3.845 50 10 EHCAHN CCOc1cccc(CN(CCOC)Cc2sccc2C)c1O ZINC000055242355 214293769 /nfs/dbraw/zinc/29/37/69/214293769.db2.gz AQDRJRKSEMSLQG-UHFFFAOYSA-N 0 3 335.469 3.809 50 10 EHCAHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(C)C)C2)c1 ZINC000020202298 212111319 /nfs/dbraw/zinc/11/13/19/212111319.db2.gz COLYYMDVRUPQJI-AWEZNQCLSA-N 0 3 329.444 3.627 50 10 EHCAHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3n[nH]cc3C(C)C)C2)c1 ZINC000020202298 212111323 /nfs/dbraw/zinc/11/13/23/212111323.db2.gz COLYYMDVRUPQJI-AWEZNQCLSA-N 0 3 329.444 3.627 50 10 EHCAHN Cc1ccc(CN[C@@H](C)c2ccc(N3CCC(O)CC3)cc2)s1 ZINC000095420456 218360997 /nfs/dbraw/zinc/36/09/97/218360997.db2.gz XOEGIUDEONAZKQ-HNNXBMFYSA-N 0 3 330.497 3.868 50 10 EHCAHN COc1ccc(-n2c(C)cc(C(=O)CNCCC(C)C)c2C)cc1 ZINC000006508460 564091193 /nfs/dbraw/zinc/09/11/93/564091193.db2.gz OZYWLSIIHMXCLC-UHFFFAOYSA-N 0 3 328.456 3.921 50 10 EHCAHN CCOc1cccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000078394102 217047139 /nfs/dbraw/zinc/04/71/39/217047139.db2.gz ZLNRBJZLYGBNEP-CQSZACIVSA-N 0 3 345.439 3.967 50 10 EHCAHN CCOc1cccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1[O-] ZINC000078394102 217047144 /nfs/dbraw/zinc/04/71/44/217047144.db2.gz ZLNRBJZLYGBNEP-CQSZACIVSA-N 0 3 345.439 3.967 50 10 EHCAHN COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c([O-])c1 ZINC000015066026 563775041 /nfs/dbraw/zinc/77/50/41/563775041.db2.gz VBNASNOQRHFFDQ-HNNXBMFYSA-N 0 3 348.393 3.756 50 10 EHCAHN COc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c([O-])c1 ZINC000015066026 563775043 /nfs/dbraw/zinc/77/50/43/563775043.db2.gz VBNASNOQRHFFDQ-HNNXBMFYSA-N 0 3 348.393 3.756 50 10 EHCAHN COc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c1[O-] ZINC000071792498 563920726 /nfs/dbraw/zinc/92/07/26/563920726.db2.gz KUKRKDKGBRUDRI-IBGZPJMESA-N 0 3 343.423 3.659 50 10 EHCAHN CC[C@@H]([NH2+]C1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1[O-] ZINC000097139542 563968172 /nfs/dbraw/zinc/96/81/72/563968172.db2.gz OLGPKRCAWFZOQH-GOSISDBHSA-N 0 3 340.471 3.509 50 10 EHCAHN Oc1cc2c(cc1CN1CCN(c3cccc(Cl)c3)CC1)CCC2 ZINC000012637575 564061917 /nfs/dbraw/zinc/06/19/17/564061917.db2.gz YECRDKMENGZXBP-UHFFFAOYSA-N 0 3 342.870 3.857 50 10 EHCAHN COc1cccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1[O-] ZINC000071792499 564175315 /nfs/dbraw/zinc/17/53/15/564175315.db2.gz KUKRKDKGBRUDRI-LJQANCHMSA-N 0 3 343.423 3.659 50 10 EHCAHN COc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1[O-] ZINC000067692429 215188041 /nfs/dbraw/zinc/18/80/41/215188041.db2.gz QNCUWVZOFIKXCD-HNNXBMFYSA-N 0 3 337.423 3.657 50 10 EHCAHN COc1cccc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1[O-] ZINC000067692429 215188044 /nfs/dbraw/zinc/18/80/44/215188044.db2.gz QNCUWVZOFIKXCD-HNNXBMFYSA-N 0 3 337.423 3.657 50 10 EHCAHN Cc1cc(O)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000057395044 132200411 /nfs/dbraw/zinc/20/04/11/132200411.db2.gz RGDDHUUHYAYBIH-UHFFFAOYSA-N 0 3 330.859 3.985 50 10 EHCAHN COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)c1[O-] ZINC000019300999 212014488 /nfs/dbraw/zinc/01/44/88/212014488.db2.gz PJDABHGCRWRRRH-OAHLLOKOSA-N 0 3 343.471 3.702 50 10 EHCAHN COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)c1[O-] ZINC000019300999 212014490 /nfs/dbraw/zinc/01/44/90/212014490.db2.gz PJDABHGCRWRRRH-OAHLLOKOSA-N 0 3 343.471 3.702 50 10 EHCAHN COCCN(C/C=C/c1ccccc1)Cc1cccc(OC)c1O ZINC000055242927 214293992 /nfs/dbraw/zinc/29/39/92/214293992.db2.gz GBHQBSKOAJNUOD-JXMROGBWSA-N 0 3 327.424 3.563 50 10 EHCAHN COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(C)C)C2)c1[O-] ZINC000020773895 212170722 /nfs/dbraw/zinc/17/07/22/212170722.db2.gz RAGULENTXJTUKK-CQSZACIVSA-N 0 3 329.444 3.627 50 10 EHCAHN COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(C)C)C2)c1[O-] ZINC000020773895 212170727 /nfs/dbraw/zinc/17/07/27/212170727.db2.gz RAGULENTXJTUKK-CQSZACIVSA-N 0 3 329.444 3.627 50 10 EHCAHN CC[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1ccccc1[O-] ZINC000155202586 529182162 /nfs/dbraw/zinc/18/21/62/529182162.db2.gz ATCYVOCNQWAWKE-GOSISDBHSA-N 0 3 336.439 3.831 50 10 EHCAHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000012458896 211389140 /nfs/dbraw/zinc/38/91/40/211389140.db2.gz BBMPWBAUAHDDOP-CQSZACIVSA-N 0 3 348.393 3.756 50 10 EHCAHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000012458896 211389144 /nfs/dbraw/zinc/38/91/44/211389144.db2.gz BBMPWBAUAHDDOP-CQSZACIVSA-N 0 3 348.393 3.756 50 10 EHCAHN COc1cccc(O)c1CN1CCC[C@H](C(=O)c2sccc2C)C1 ZINC000012302262 211338720 /nfs/dbraw/zinc/33/87/20/211338720.db2.gz WRHNTUPNCQEWMM-AWEZNQCLSA-N 0 3 345.464 3.866 50 10 EHCAHN COc1ccc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c([O-])c1 ZINC000012001957 211277206 /nfs/dbraw/zinc/27/72/06/211277206.db2.gz WVRBJYZUBLXYPB-KRWDZBQOSA-N 0 3 330.403 3.616 50 10 EHCAHN COc1ccc(C[N@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c([O-])c1 ZINC000012001957 211277208 /nfs/dbraw/zinc/27/72/08/211277208.db2.gz WVRBJYZUBLXYPB-KRWDZBQOSA-N 0 3 330.403 3.616 50 10 EHCAHN CCOc1cccc(CN2CCC[C@H]2c2c(C)noc2CC)c1O ZINC000021720894 212243949 /nfs/dbraw/zinc/24/39/49/212243949.db2.gz CYHWUERRWACGJV-HNNXBMFYSA-N 0 3 330.428 3.987 50 10 EHCAHN C[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000013007990 564086464 /nfs/dbraw/zinc/08/64/64/564086464.db2.gz HIHAHAGJWODOQN-NSHDSACASA-N 0 3 336.229 3.529 50 10 EHCAHN CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccccc1[O-] ZINC000155304096 564138340 /nfs/dbraw/zinc/13/83/40/564138340.db2.gz NOBHDQACOSQUPR-KRWDZBQOSA-N 0 3 325.387 3.958 50 10 EHCAHN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1C ZINC000052583708 214135536 /nfs/dbraw/zinc/13/55/36/214135536.db2.gz FIXAODLHHHTZTP-UHFFFAOYSA-N 0 3 344.499 3.624 50 10 EHCAHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000011789890 211247585 /nfs/dbraw/zinc/24/75/85/211247585.db2.gz RGOOQQHEGYTBLD-OAHLLOKOSA-N 0 3 343.471 3.702 50 10 EHCAHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000011789890 211247588 /nfs/dbraw/zinc/24/75/88/211247588.db2.gz RGOOQQHEGYTBLD-OAHLLOKOSA-N 0 3 343.471 3.702 50 10 EHCAHN COc1ccc([C@@H](c2cc3c(cc2[O-])OCO3)[NH+]2CCCCC2)cc1 ZINC000005249248 563524515 /nfs/dbraw/zinc/52/45/15/563524515.db2.gz VXUBMVYKZKUFMX-FQEVSTJZSA-N 0 3 341.407 3.705 50 10 EHCAHN [O-]c1cc2c(cc1C[NH+]1CCC(Cc3ccccc3)CC1)OCO2 ZINC000006997771 568418323 /nfs/dbraw/zinc/41/83/23/568418323.db2.gz STLNREVXIQLXLG-UHFFFAOYSA-N 0 3 325.408 3.576 50 10 EHCAHN COc1cccc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c1[O-] ZINC000012753675 563670120 /nfs/dbraw/zinc/67/01/20/563670120.db2.gz SDYSNRLYTMXSSH-QGZVFWFLSA-N 0 3 330.403 3.616 50 10 EHCAHN COc1cccc(C[N@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c1[O-] ZINC000012753675 563670121 /nfs/dbraw/zinc/67/01/21/563670121.db2.gz SDYSNRLYTMXSSH-QGZVFWFLSA-N 0 3 330.403 3.616 50 10 EHCAHN CC[C@@H](Nc1ccccc1CN1CCC(O)CC1)c1ccccc1O ZINC000157325227 564010653 /nfs/dbraw/zinc/01/06/53/564010653.db2.gz GSRKNWDUUIZULS-LJQANCHMSA-N 0 3 340.467 3.912 50 10 EHCAHN CC(C)(C)c1n[nH]cc1CNCc1ccc(N2CCSCC2)cc1 ZINC000097159161 563968316 /nfs/dbraw/zinc/96/83/16/563968316.db2.gz PVOLAHCLSZOOCJ-UHFFFAOYSA-N 0 3 344.528 3.550 50 10 EHCAHN CC[C@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1ccccc1[O-] ZINC000155202469 529625038 /nfs/dbraw/zinc/62/50/38/529625038.db2.gz ATCYVOCNQWAWKE-SFHVURJKSA-N 0 3 336.439 3.831 50 10 EHCAHN CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000155218581 529183641 /nfs/dbraw/zinc/18/36/41/529183641.db2.gz DYPXYNXZKYZEEV-GOSISDBHSA-N 0 3 344.430 3.609 50 10 EHCAHN CCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c1[O-] ZINC000069517670 564170062 /nfs/dbraw/zinc/17/00/62/564170062.db2.gz JFFZZJTYLKKFLX-HNNXBMFYSA-N 0 3 337.423 3.827 50 10 EHCAHN CCOCc1cc(CN[C@@H]2CCCc3c2cnn3CC)ccc1OC ZINC000072298401 216136669 /nfs/dbraw/zinc/13/66/69/216136669.db2.gz YTAXPWNEDOHXAJ-GOSISDBHSA-N 0 3 343.471 3.615 50 10 EHCAHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(Cc2cccs2)CC1 ZINC000022794609 212324998 /nfs/dbraw/zinc/32/49/98/212324998.db2.gz RISCCNYUBLJOFB-UHFFFAOYSA-N 0 3 338.476 3.925 50 10 EHCAHN COc1ccc(OC)c([C@H]2CC[N@H+](Cc3cc(C)ccc3[O-])C2)c1 ZINC000065408306 563960356 /nfs/dbraw/zinc/96/03/56/563960356.db2.gz YVFQMWSYQHJSSR-HNNXBMFYSA-N 0 3 327.424 3.707 50 10 EHCAHN COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3cc(C)ccc3[O-])C2)c1 ZINC000065408306 563960358 /nfs/dbraw/zinc/96/03/58/563960358.db2.gz YVFQMWSYQHJSSR-HNNXBMFYSA-N 0 3 327.424 3.707 50 10 EHCAHN CC1CC[NH+](Cc2c([O-])ccc3oc(-c4ccco4)cc(=O)c32)CC1 ZINC000004387304 210186428 /nfs/dbraw/zinc/18/64/28/210186428.db2.gz LOKGYUVYCKCQFL-UHFFFAOYSA-N 0 3 339.391 3.991 50 10 EHCAHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)c1 ZINC000012703448 563668014 /nfs/dbraw/zinc/66/80/14/563668014.db2.gz AUSRCOPVDSESEL-QGZVFWFLSA-N 0 3 330.403 3.616 50 10 EHCAHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)c1 ZINC000012703448 563668016 /nfs/dbraw/zinc/66/80/16/563668016.db2.gz AUSRCOPVDSESEL-QGZVFWFLSA-N 0 3 330.403 3.616 50 10 EHCAHN [O-]c1ccc(F)cc1C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000020118992 212103008 /nfs/dbraw/zinc/10/30/08/212103008.db2.gz JDIXDANOSMSCTK-UHFFFAOYSA-N 0 3 344.434 3.618 50 10 EHCAHN COc1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c([O-])c1 ZINC000012001954 211277665 /nfs/dbraw/zinc/27/76/65/211277665.db2.gz WVRBJYZUBLXYPB-QGZVFWFLSA-N 0 3 330.403 3.616 50 10 EHCAHN COc1ccc(C[N@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c([O-])c1 ZINC000012001954 211277671 /nfs/dbraw/zinc/27/76/71/211277671.db2.gz WVRBJYZUBLXYPB-QGZVFWFLSA-N 0 3 330.403 3.616 50 10 EHCAHN COc1cc(Br)cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000004988646 210351228 /nfs/dbraw/zinc/35/12/28/210351228.db2.gz CQTBQBLBDYGNTD-PHIMTYICSA-N 0 3 328.250 3.641 50 10 EHCAHN COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[O-] ZINC000004988646 210351231 /nfs/dbraw/zinc/35/12/31/210351231.db2.gz CQTBQBLBDYGNTD-PHIMTYICSA-N 0 3 328.250 3.641 50 10 EHCAHN OC1CCN(c2ccc(CNC/C=C\c3ccccc3)cc2F)CC1 ZINC000097296564 219009696 /nfs/dbraw/zinc/00/96/96/219009696.db2.gz BNSRVPYWFXFGDI-DAXSKMNVSA-N 0 3 340.442 3.590 50 10 EHCAHN COc1ccccc1N1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000019790496 563856915 /nfs/dbraw/zinc/85/69/15/563856915.db2.gz WGFIVTMADDNYGP-UHFFFAOYSA-N 0 3 348.446 3.876 50 10 EHCAHN CC[C@@H](N[C@@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000156912601 564009684 /nfs/dbraw/zinc/00/96/84/564009684.db2.gz CPESEZYJNYEXHY-CABCVRRESA-N 0 3 325.330 3.584 50 10 EHCAHN OC1CCN(c2ccc(CNC/C=C/c3ccccc3)cc2F)CC1 ZINC000075126856 564080370 /nfs/dbraw/zinc/08/03/70/564080370.db2.gz BNSRVPYWFXFGDI-QPJJXVBHSA-N 0 3 340.442 3.590 50 10 EHCAHN C[C@H](NCc1ccc(N(C)CCO)cc1)c1ccc2c(c1)CCCC2 ZINC000008345214 564164630 /nfs/dbraw/zinc/16/46/30/564164630.db2.gz IMWYSFNOURYVGV-KRWDZBQOSA-N 0 3 338.495 3.845 50 10 EHCAHN CCOc1cccc(CN[C@H](C)c2ccc(OC)c(OC)c2)c1O ZINC000098212996 219087605 /nfs/dbraw/zinc/08/76/05/219087605.db2.gz RNHGBVPPUDEVCZ-CYBMUJFWSA-N 0 3 331.412 3.659 50 10 EHCAHN CCOc1cccc(CN(Cc2ccsc2)[C@@H](CC)CO)c1O ZINC000055307998 214304292 /nfs/dbraw/zinc/30/42/92/214304292.db2.gz SMQJBJQDUIRDSK-INIZCTEOSA-N 0 3 335.469 3.626 50 10 EHCAHN O=C(c1ccccc1)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 ZINC000032888345 212861465 /nfs/dbraw/zinc/86/14/65/212861465.db2.gz BIVIKZWWKCNDKW-UHFFFAOYSA-N 0 3 335.447 3.976 50 10 EHCAHN CN1CCCc2cc(CNCc3ccc(OC(F)F)cc3)ccc21 ZINC000058438176 564050378 /nfs/dbraw/zinc/05/03/78/564050378.db2.gz KULQUSKOCRIBRU-UHFFFAOYSA-N 0 3 332.394 3.960 50 10 EHCAHN c1ccc2c(c1)SCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000008428758 564165286 /nfs/dbraw/zinc/16/52/86/564165286.db2.gz WGWDSQHHEKDGQQ-LJQANCHMSA-N 0 3 340.492 3.850 50 10 EHCAHN [O-]c1ccccc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000082138934 1030433590 /nfs/dbraw/zinc/43/35/90/1030433590.db2.gz MQBCHQVFLMWXPC-UHFFFAOYSA-N 0 3 336.357 3.733 50 10 EHCAHN COc1ccc(O)c([C@@H](C)NCc2cccc3c2OC(F)(F)O3)c1 ZINC000845971123 1136728387 /nfs/dbraw/zinc/72/83/87/1136728387.db2.gz HFVVNOONCWVWDZ-SNVBAGLBSA-N 0 3 337.322 3.573 50 10 EHCAHN CCN(CC)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019634501 212052385 /nfs/dbraw/zinc/05/23/85/212052385.db2.gz AFXWZAVSWOSACX-UHFFFAOYSA-N 0 3 337.511 3.851 50 10 EHCAHN CC[C@H]([NH2+]C1CCN(c2ccc(C)cn2)CC1)c1ccccc1[O-] ZINC000156000851 564008671 /nfs/dbraw/zinc/00/86/71/564008671.db2.gz NMHATJDQJLLEFO-SFHVURJKSA-N 0 3 325.456 3.805 50 10 EHCAHN CCOc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1O ZINC000055292139 132194929 /nfs/dbraw/zinc/19/49/29/132194929.db2.gz STAIPRVOSJJZGU-UHFFFAOYSA-N 0 3 346.858 3.767 50 10 EHCAHN CC[C@@H](N[C@H](CO)c1cc(F)c(F)c(F)c1)c1ccccc1O ZINC000156912896 564009693 /nfs/dbraw/zinc/00/96/93/564009693.db2.gz CPESEZYJNYEXHY-HUUCEWRRSA-N 0 3 325.330 3.584 50 10 EHCAHN Cc1ccc([O-])c(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)c1 ZINC000065383140 563959115 /nfs/dbraw/zinc/95/91/15/563959115.db2.gz RWWRAXCKLXUBDD-NRFANRHFSA-N 0 3 325.452 3.516 50 10 EHCAHN CCOc1ccc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)cc1 ZINC000008189651 564163427 /nfs/dbraw/zinc/16/34/27/564163427.db2.gz HINPLPFTMJKWLY-QGZVFWFLSA-N 0 3 341.407 3.857 50 10 EHCAHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000015250728 563780439 /nfs/dbraw/zinc/78/04/39/563780439.db2.gz RLYCJYISTVPBSJ-UHFFFAOYSA-N 0 3 334.419 3.573 50 10 EHCAHN CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000075584106 563921492 /nfs/dbraw/zinc/92/14/92/563921492.db2.gz OQKWPZGBOKKZKC-KRWDZBQOSA-N 0 3 325.456 3.740 50 10 EHCAHN COc1ccc(O)c([C@H](C)NCc2c(C)nc3sc(C)cn32)c1 ZINC000585140866 563973385 /nfs/dbraw/zinc/97/33/85/563973385.db2.gz KFYSVAVNVVLDGH-NSHDSACASA-N 0 3 331.441 3.578 50 10 EHCAHN [O-]c1ccc(-c2cccnc2)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000299769491 564060750 /nfs/dbraw/zinc/06/07/50/564060750.db2.gz XQIYFYVAOGVGQQ-UHFFFAOYSA-N 0 3 345.446 3.776 50 10 EHCAHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(N3CCCC3)cc2)o1 ZINC000097159315 563968346 /nfs/dbraw/zinc/96/83/46/563968346.db2.gz XEBHOAYWBVPBHD-UHFFFAOYSA-N 0 3 336.439 3.868 50 10 EHCAHN CCN(C)c1ccc(CNCc2c[nH]nc2-c2ccccc2)cc1F ZINC000072289938 563976342 /nfs/dbraw/zinc/97/63/42/563976342.db2.gz YVDWQCJDBZLHJX-UHFFFAOYSA-N 0 3 338.430 3.962 50 10 EHCAHN C[C@H](NCc1ccc2c(c1)CCO2)c1cccc(N2CCCC2=O)c1 ZINC000065538055 564107260 /nfs/dbraw/zinc/10/72/60/564107260.db2.gz NUZLAJJDLPENCZ-HNNXBMFYSA-N 0 3 336.435 3.599 50 10 EHCAHN COc1ccc(Oc2ccc(C[NH2+]Cc3ccccc3[O-])cn2)cc1 ZINC000069537214 564170345 /nfs/dbraw/zinc/17/03/45/564170345.db2.gz GSNYPBIWSHBDMZ-UHFFFAOYSA-N 0 3 336.391 3.878 50 10 EHCAHN CCOc1ccc(O)c(CN[C@H](C)c2cc(OC)ccc2OC)c1 ZINC000071792497 564175313 /nfs/dbraw/zinc/17/53/13/564175313.db2.gz XIKPHGLMGLZWFZ-CYBMUJFWSA-N 0 3 331.412 3.659 50 10 EHCAHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000066970182 215100376 /nfs/dbraw/zinc/10/03/76/215100376.db2.gz YWDFFAHRFVCJRY-CQSZACIVSA-N 0 3 332.394 3.652 50 10 EHCAHN COc1cc(C)cc(CN2CCN(c3cccc(C)c3C)CC2)c1O ZINC000089686576 564113068 /nfs/dbraw/zinc/11/30/68/564113068.db2.gz TZTBOFLOBVFNNL-UHFFFAOYSA-N 0 3 340.467 3.648 50 10 EHCAHN Cc1c([C@H](C)[NH2+]Cc2ccccc2[O-])cnn1-c1ccc(F)cc1 ZINC000071792567 215827790 /nfs/dbraw/zinc/82/77/90/215827790.db2.gz GEJIWEJSQSJSOK-ZDUSSCGKSA-N 0 3 325.387 3.876 50 10 EHCAHN COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3sccc3C)C2)c1 ZINC000012464253 211390526 /nfs/dbraw/zinc/39/05/26/211390526.db2.gz FXQRYZNCQKECNT-CQSZACIVSA-N 0 3 345.464 3.866 50 10 EHCAHN COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1F ZINC000012386057 211365162 /nfs/dbraw/zinc/36/51/62/211365162.db2.gz SFFJXJQGQDRFDH-INIZCTEOSA-N 0 3 343.398 3.635 50 10 EHCAHN COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1F ZINC000012386057 211365164 /nfs/dbraw/zinc/36/51/64/211365164.db2.gz SFFJXJQGQDRFDH-INIZCTEOSA-N 0 3 343.398 3.635 50 10 EHCAHN COc1cccc(O)c1CN1CCC[C@@H](C(=O)c2sccc2C)C1 ZINC000012302260 211338380 /nfs/dbraw/zinc/33/83/80/211338380.db2.gz WRHNTUPNCQEWMM-CQSZACIVSA-N 0 3 345.464 3.866 50 10 EHCAHN CCOc1ccc(O)c(CN[C@@H](C)c2cc(OC)ccc2OC)c1 ZINC000071792496 564175323 /nfs/dbraw/zinc/17/53/23/564175323.db2.gz XIKPHGLMGLZWFZ-ZDUSSCGKSA-N 0 3 331.412 3.659 50 10 EHCAHN [O-]c1ccccc1C[NH+]1CCC(CO)(CCCc2ccccc2)CC1 ZINC000011934127 1129193053 /nfs/dbraw/zinc/19/30/53/1129193053.db2.gz LDGAUWKOZDPQIF-UHFFFAOYSA-N 0 3 339.479 3.990 50 10 EHCAHN CCOc1cccc(CN[C@@H](C)c2ccc(OC)c(OC)c2)c1O ZINC000098212995 219087407 /nfs/dbraw/zinc/08/74/07/219087407.db2.gz RNHGBVPPUDEVCZ-ZDUSSCGKSA-N 0 3 331.412 3.659 50 10 EHCAHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000022777930 212323151 /nfs/dbraw/zinc/32/31/51/212323151.db2.gz OJICWDZWYHOHDQ-UHFFFAOYSA-N 0 3 338.476 3.925 50 10 EHCAHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000014957546 563768085 /nfs/dbraw/zinc/76/80/85/563768085.db2.gz WAGCCCQWELDCPB-INIZCTEOSA-N 0 3 330.403 3.616 50 10 EHCAHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000014957546 563768087 /nfs/dbraw/zinc/76/80/87/563768087.db2.gz WAGCCCQWELDCPB-INIZCTEOSA-N 0 3 330.403 3.616 50 10 EHCAHN CN(C)c1ccc(CNCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000017318104 564011659 /nfs/dbraw/zinc/01/16/59/564011659.db2.gz CCQMCOGJTFRTGO-UHFFFAOYSA-N 0 3 346.858 3.857 50 10 EHCAHN CC[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1ccccc1[O-] ZINC000155654763 564139563 /nfs/dbraw/zinc/13/95/63/564139563.db2.gz RISINNULPSCKHI-QGZVFWFLSA-N 0 3 331.387 3.681 50 10 EHCAHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(C)C)C1 ZINC000023129895 212352597 /nfs/dbraw/zinc/35/25/97/212352597.db2.gz YHFJHAHJSVGFCZ-CQSZACIVSA-N 0 3 329.444 3.627 50 10 EHCAHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(C)C)C1 ZINC000023129895 212352601 /nfs/dbraw/zinc/35/26/01/212352601.db2.gz YHFJHAHJSVGFCZ-CQSZACIVSA-N 0 3 329.444 3.627 50 10 EHCAHN COc1cc(Br)cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[O-] ZINC000004988650 210351086 /nfs/dbraw/zinc/35/10/86/210351086.db2.gz CQTBQBLBDYGNTD-GHMZBOCLSA-N 0 3 328.250 3.641 50 10 EHCAHN Cc1cc(C(C)(C)C)cc(CN2CCN(c3ccccn3)CC2)c1O ZINC000023702571 563867257 /nfs/dbraw/zinc/86/72/57/563867257.db2.gz DHKSXCDPTDAEAQ-UHFFFAOYSA-N 0 3 339.483 3.715 50 10 EHCAHN CCOc1cccc(CN2CCN(c3cccc(C)c3C)CC2)c1O ZINC000013943210 564020758 /nfs/dbraw/zinc/02/07/58/564020758.db2.gz KIFJDUSCTJSKOO-UHFFFAOYSA-N 0 3 340.467 3.730 50 10 EHCAHN CCN(CC)Cc1ccccc1NC(=O)N(C)Cc1ccccc1O ZINC000047569216 564026453 /nfs/dbraw/zinc/02/64/53/564026453.db2.gz BLNCBMVXRPICPH-UHFFFAOYSA-N 0 3 341.455 3.898 50 10 EHCAHN O=[N+]([N-]c1nonc1-c1ccccc1)c1nonc1-c1ccccc1 ZINC000225396442 564084329 /nfs/dbraw/zinc/08/43/29/564084329.db2.gz LTOHYXXQLRPNJC-UHFFFAOYSA-N 0 3 335.303 3.604 50 10 EHCAHN Cc1ccc(C(C)C)c([O-])c1C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000095996995 564144286 /nfs/dbraw/zinc/14/42/86/564144286.db2.gz VZMNAYBXVJVILN-QGZVFWFLSA-N 0 3 344.499 3.562 50 10 EHCAHN Cc1ccc(C(C)C)c([O-])c1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000095996995 564144287 /nfs/dbraw/zinc/14/42/87/564144287.db2.gz VZMNAYBXVJVILN-QGZVFWFLSA-N 0 3 344.499 3.562 50 10 EHCAHN CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000155218487 529627507 /nfs/dbraw/zinc/62/75/07/529627507.db2.gz DYPXYNXZKYZEEV-SFHVURJKSA-N 0 3 344.430 3.609 50 10 EHCAHN COc1cccc(CN[C@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000078394092 217046760 /nfs/dbraw/zinc/04/67/60/217046760.db2.gz KTDXNBKHKPDTKJ-CYBMUJFWSA-N 0 3 331.412 3.577 50 10 EHCAHN COc1cccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1[O-] ZINC000078394092 217046762 /nfs/dbraw/zinc/04/67/62/217046762.db2.gz KTDXNBKHKPDTKJ-CYBMUJFWSA-N 0 3 331.412 3.577 50 10 EHCAHN CCOc1ccccc1[C@H](c1cc2c(cc1[O-])OCO2)[NH+]1CCCC1 ZINC000006357361 563566002 /nfs/dbraw/zinc/56/60/02/563566002.db2.gz JIPHYNLAMLINND-HXUWFJFHSA-N 0 3 341.407 3.705 50 10 EHCAHN Cc1noc([C@@H]2CCN(Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 ZINC000408519727 563993116 /nfs/dbraw/zinc/99/31/16/563993116.db2.gz VXZKLSZGOYKGAU-GOSISDBHSA-N 0 3 340.471 3.666 50 10 EHCAHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1COc2ccccc2O1 ZINC000003415214 210032197 /nfs/dbraw/zinc/03/21/97/210032197.db2.gz YGRUCLUZIYWFDZ-INIZCTEOSA-N 0 3 335.403 3.817 50 10 EHCAHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1COc2ccccc2O1 ZINC000003415214 210032202 /nfs/dbraw/zinc/03/22/02/210032202.db2.gz YGRUCLUZIYWFDZ-INIZCTEOSA-N 0 3 335.403 3.817 50 10 EHCAHN CCOc1ccccc1[C@@H](c1cc2c(cc1[O-])OCO2)[NH+]1CCCC1 ZINC000006357327 563565934 /nfs/dbraw/zinc/56/59/34/563565934.db2.gz JIPHYNLAMLINND-FQEVSTJZSA-N 0 3 341.407 3.705 50 10 EHCAHN CCOc1cc(CN(CC)Cc2ccc(N(C)C)cc2)ccc1O ZINC000225534294 564047572 /nfs/dbraw/zinc/04/75/72/564047572.db2.gz DQRCPTZUEDPUFZ-UHFFFAOYSA-N 0 3 328.456 3.879 50 10 EHCAHN COc1ccc(O)c([C@H](C)NCc2cccc3c2OC(F)(F)O3)c1 ZINC000845971122 1136728415 /nfs/dbraw/zinc/72/84/15/1136728415.db2.gz HFVVNOONCWVWDZ-JTQLQIEISA-N 0 3 337.322 3.573 50 10 EHCAHN CCOc1cccc(CNCc2ccc(OCC)c(OCC)c2)c1O ZINC000040477129 213312693 /nfs/dbraw/zinc/31/26/93/213312693.db2.gz ZJTWGHGADUIMPQ-UHFFFAOYSA-N 0 3 345.439 3.878 50 10 EHCAHN COc1cccc(CN[C@@H](C)c2cc(OC)c(OC)cc2C)c1O ZINC000078394095 217046644 /nfs/dbraw/zinc/04/66/44/217046644.db2.gz KTDXNBKHKPDTKJ-ZDUSSCGKSA-N 0 3 331.412 3.577 50 10 EHCAHN COc1cccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1[O-] ZINC000078394095 217046647 /nfs/dbraw/zinc/04/66/47/217046647.db2.gz KTDXNBKHKPDTKJ-ZDUSSCGKSA-N 0 3 331.412 3.577 50 10 EHCAHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c1 ZINC000012703453 563668024 /nfs/dbraw/zinc/66/80/24/563668024.db2.gz AUSRCOPVDSESEL-KRWDZBQOSA-N 0 3 330.403 3.616 50 10 EHCAHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c1 ZINC000012703453 563668027 /nfs/dbraw/zinc/66/80/27/563668027.db2.gz AUSRCOPVDSESEL-KRWDZBQOSA-N 0 3 330.403 3.616 50 10 EHCAHN CC[C@H]([NH2+]C1CCN(c2cc(C)nc(C)n2)CC1)c1ccccc1[O-] ZINC000097139540 563968157 /nfs/dbraw/zinc/96/81/57/563968157.db2.gz OLGPKRCAWFZOQH-SFHVURJKSA-N 0 3 340.471 3.509 50 10 EHCAHN COc1cc(CNCc2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000017318086 564011641 /nfs/dbraw/zinc/01/16/41/564011641.db2.gz YRAFAUKSTSOMOB-UHFFFAOYSA-N 0 3 334.847 3.713 50 10 EHCAHN CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000006209185 564082940 /nfs/dbraw/zinc/08/29/40/564082940.db2.gz SPLXOKOOXGAHON-UHFFFAOYSA-N 0 3 339.313 3.772 50 10 EHCAHN C[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000013007988 564086490 /nfs/dbraw/zinc/08/64/90/564086490.db2.gz HIHAHAGJWODOQN-LLVKDONJSA-N 0 3 336.229 3.529 50 10 EHCAHN CCOc1ccc(CN(Cc2c(O)cccc2OC)C2CC2)cc1 ZINC000055325565 214307884 /nfs/dbraw/zinc/30/78/84/214307884.db2.gz LOMNNSPWQRIAFR-UHFFFAOYSA-N 0 3 327.424 3.964 50 10 EHCAHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(CCc2ccccc2)CC1 ZINC000028812388 563904073 /nfs/dbraw/zinc/90/40/73/563904073.db2.gz ZHSQHTOLKBGLQZ-UHFFFAOYSA-N 0 3 346.474 3.906 50 10 EHCAHN CCOc1cccc(CN(CCCO)Cc2ccc(C)s2)c1O ZINC000055357759 214310646 /nfs/dbraw/zinc/31/06/46/214310646.db2.gz WHFGKMYVHQPXJM-UHFFFAOYSA-N 0 3 335.469 3.545 50 10 EHCAHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1COc2ccccc2O1 ZINC000003415219 210033348 /nfs/dbraw/zinc/03/33/48/210033348.db2.gz YGRUCLUZIYWFDZ-MRXNPFEDSA-N 0 3 335.403 3.817 50 10 EHCAHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1COc2ccccc2O1 ZINC000003415219 210033351 /nfs/dbraw/zinc/03/33/51/210033351.db2.gz YGRUCLUZIYWFDZ-MRXNPFEDSA-N 0 3 335.403 3.817 50 10 EHCAHN CC[NH+](CC)Cc1c([O-])ccc2c1ccc([O-])c2C[NH+](CC)CC ZINC000003296915 210000036 /nfs/dbraw/zinc/00/00/36/210000036.db2.gz CDKZLKUKBANDGR-UHFFFAOYSA-N 0 3 330.472 3.935 50 10 EHCAHN COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c([O-])c1 ZINC000015066025 563775128 /nfs/dbraw/zinc/77/51/28/563775128.db2.gz VBNASNOQRHFFDQ-OAHLLOKOSA-N 0 3 348.393 3.756 50 10 EHCAHN COc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c([O-])c1 ZINC000015066025 563775131 /nfs/dbraw/zinc/77/51/31/563775131.db2.gz VBNASNOQRHFFDQ-OAHLLOKOSA-N 0 3 348.393 3.756 50 10 EHCAHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(N2CCCC2=O)cc1 ZINC000065475963 564106273 /nfs/dbraw/zinc/10/62/73/564106273.db2.gz AVLOJUPRTPXYMW-OAHLLOKOSA-N 0 3 336.435 3.599 50 10 EHCAHN Cc1cn2c(CNCc3ccc(N4CCCC4)cc3)c(C)nc2s1 ZINC000069873620 564172629 /nfs/dbraw/zinc/17/26/29/564172629.db2.gz DCAYOOWGMQJABG-UHFFFAOYSA-N 0 3 340.496 3.903 50 10 EHCAHN COc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1[O-] ZINC000067692431 215188415 /nfs/dbraw/zinc/18/84/15/215188415.db2.gz QNCUWVZOFIKXCD-OAHLLOKOSA-N 0 3 337.423 3.657 50 10 EHCAHN COc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1[O-] ZINC000067692431 215188419 /nfs/dbraw/zinc/18/84/19/215188419.db2.gz QNCUWVZOFIKXCD-OAHLLOKOSA-N 0 3 337.423 3.657 50 10 EHCAHN COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)cc1F ZINC000012386056 211364886 /nfs/dbraw/zinc/36/48/86/211364886.db2.gz SFFJXJQGQDRFDH-MRXNPFEDSA-N 0 3 343.398 3.635 50 10 EHCAHN COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)cc1F ZINC000012386056 211364889 /nfs/dbraw/zinc/36/48/89/211364889.db2.gz SFFJXJQGQDRFDH-MRXNPFEDSA-N 0 3 343.398 3.635 50 10 EHCAHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000011789891 211248671 /nfs/dbraw/zinc/24/86/71/211248671.db2.gz RGOOQQHEGYTBLD-HNNXBMFYSA-N 0 3 343.471 3.702 50 10 EHCAHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000011789891 211248675 /nfs/dbraw/zinc/24/86/75/211248675.db2.gz RGOOQQHEGYTBLD-HNNXBMFYSA-N 0 3 343.471 3.702 50 10 EHCAHN COc1ccc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC000021548631 212231703 /nfs/dbraw/zinc/23/17/03/212231703.db2.gz FPUSTKCTAAALJW-UHFFFAOYSA-N 0 3 348.446 3.876 50 10 EHCAHN COc1ccc(O)c(CN2CCC[C@H](C(=O)c3sccc3C)C2)c1 ZINC000012464256 211390499 /nfs/dbraw/zinc/39/04/99/211390499.db2.gz FXQRYZNCQKECNT-AWEZNQCLSA-N 0 3 345.464 3.866 50 10 EHCAHN CC(C)(C)n1ncc2c1CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000075584104 563921501 /nfs/dbraw/zinc/92/15/01/563921501.db2.gz OQKWPZGBOKKZKC-QGZVFWFLSA-N 0 3 325.456 3.740 50 10 EHCAHN [O-]c1ccc(-c2ccc(F)cc2)cc1C[NH2+]CCCn1ccnc1 ZINC000045373457 563929193 /nfs/dbraw/zinc/92/91/93/563929193.db2.gz ZVCFJGDNNHVKNO-UHFFFAOYSA-N 0 3 325.387 3.575 50 10 EHCAHN CCOc1ccc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)cc1 ZINC000008189649 564163442 /nfs/dbraw/zinc/16/34/42/564163442.db2.gz HINPLPFTMJKWLY-KRWDZBQOSA-N 0 3 341.407 3.857 50 10 EHCAHN [O-]c1ccccc1C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000069566362 564170516 /nfs/dbraw/zinc/17/05/16/564170516.db2.gz HDFMBXRBPULTTP-IBGZPJMESA-N 0 3 333.435 3.804 50 10 EHCAHN Cc1c2ccccc2n(C)c1CNCc1ccc(N2CCCC2)nc1 ZINC000355123955 1127502291 /nfs/dbraw/zinc/50/22/91/1127502291.db2.gz NVPDZXCZXXHBLA-UHFFFAOYSA-N 0 3 334.467 3.772 50 10 EHCAHN CCOc1ccccc1CN(Cc1cccc(OC)c1O)C1CC1 ZINC000055119197 214276715 /nfs/dbraw/zinc/27/67/15/214276715.db2.gz ZGJCYZYCVAUKJQ-UHFFFAOYSA-N 0 3 327.424 3.964 50 10 EHCAHN COc1ccc(O)c([C@@H](C)NCc2c(C)nc3sc(C)cn32)c1 ZINC000585140863 563973348 /nfs/dbraw/zinc/97/33/48/563973348.db2.gz KFYSVAVNVVLDGH-LLVKDONJSA-N 0 3 331.441 3.578 50 10 EHCAHN Cc1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000078552344 217073542 /nfs/dbraw/zinc/07/35/42/217073542.db2.gz VCTHPXCFHADXGH-UHFFFAOYSA-N 0 3 342.458 3.633 50 10 EHCAHN COc1ccc(N2CCCN(CCOc3ccc(C)cc3)CC2)cc1 ZINC000084157208 564067073 /nfs/dbraw/zinc/06/70/73/564067073.db2.gz ATVNQKZBDJHVNR-UHFFFAOYSA-N 0 3 340.467 3.595 50 10 EHCAHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(C)C)C2)c1 ZINC000020202295 212110909 /nfs/dbraw/zinc/11/09/09/212110909.db2.gz COLYYMDVRUPQJI-CQSZACIVSA-N 0 3 329.444 3.627 50 10 EHCAHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(C)C)C2)c1 ZINC000020202295 212110911 /nfs/dbraw/zinc/11/09/11/212110911.db2.gz COLYYMDVRUPQJI-CQSZACIVSA-N 0 3 329.444 3.627 50 10 EHCAHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(N2CCCC2=O)cc1 ZINC000065475961 564106258 /nfs/dbraw/zinc/10/62/58/564106258.db2.gz AVLOJUPRTPXYMW-HNNXBMFYSA-N 0 3 336.435 3.599 50 10 EHCAHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019288068 212012029 /nfs/dbraw/zinc/01/20/29/212012029.db2.gz IORFJSWONDTTNA-UHFFFAOYSA-N 0 3 332.447 3.863 50 10 EHCAHN CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccccc1[O-] ZINC000155304197 564138319 /nfs/dbraw/zinc/13/83/19/564138319.db2.gz NOBHDQACOSQUPR-QGZVFWFLSA-N 0 3 325.387 3.958 50 10 EHCAHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000066970181 215100440 /nfs/dbraw/zinc/10/04/40/215100440.db2.gz YWDFFAHRFVCJRY-AWEZNQCLSA-N 0 3 332.394 3.652 50 10 EHCAHN COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)c1[O-] ZINC000019301000 212014534 /nfs/dbraw/zinc/01/45/34/212014534.db2.gz PJDABHGCRWRRRH-HNNXBMFYSA-N 0 3 343.471 3.702 50 10 EHCAHN COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)c1[O-] ZINC000019301000 212014532 /nfs/dbraw/zinc/01/45/32/212014532.db2.gz PJDABHGCRWRRRH-HNNXBMFYSA-N 0 3 343.471 3.702 50 10 EHCAHN CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1O ZINC000023282266 563919425 /nfs/dbraw/zinc/91/94/25/563919425.db2.gz QCCKJKZHIICWFC-UHFFFAOYSA-N 0 3 346.858 3.767 50 10 EHCAHN CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccccc1[O-] ZINC000248540270 564072397 /nfs/dbraw/zinc/07/23/97/564072397.db2.gz BFEOHTMAOUQYPU-LSTHTHJFSA-N 0 3 339.483 3.739 50 10 EHCAHN COc1ccc([C@H](c2cc3c(cc2[O-])OCO3)[NH+]2CCCCC2)cc1 ZINC000005257137 563524384 /nfs/dbraw/zinc/52/43/84/563524384.db2.gz VXUBMVYKZKUFMX-HXUWFJFHSA-N 0 3 341.407 3.705 50 10 EHCAHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000014957542 563768108 /nfs/dbraw/zinc/76/81/08/563768108.db2.gz WAGCCCQWELDCPB-MRXNPFEDSA-N 0 3 330.403 3.616 50 10 EHCAHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000014957542 563768110 /nfs/dbraw/zinc/76/81/10/563768110.db2.gz WAGCCCQWELDCPB-MRXNPFEDSA-N 0 3 330.403 3.616 50 10 EHCAHN O=[N+]([O-])c1cc(CNCc2ccccc2)ccc1N1CCCCC1 ZINC000006787284 564097767 /nfs/dbraw/zinc/09/77/67/564097767.db2.gz MSJRXGIKJOBUNR-UHFFFAOYSA-N 0 3 325.412 3.875 50 10 EHCAHN COc1cc(Br)cc(C[NH2+]Cc2cccs2)c1[O-] ZINC000069771103 564172057 /nfs/dbraw/zinc/17/20/57/564172057.db2.gz JJPQSUTUVZEDOL-UHFFFAOYSA-N 0 3 328.231 3.515 50 10 EHCAHN