smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1C[N@@H+](Cc2cccc(OC)c2O)Cc2cc(OC)ccc2O1 ZINC000012453646 1129943165 /nfs/dbraw/zinc/94/31/65/1129943165.db2.gz HJWHXLJRJQNYRM-INIZCTEOSA-N 1 1 343.423 3.583 50 10 EHCAMO Cc1ccc(/C=C2/SC(=S)N(C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000055195971 214286947 /nfs/dbraw/zinc/28/69/47/214286947.db2.gz TUZOSEVYMKXYNR-LFIBNONCSA-N 1 1 346.521 3.886 50 10 EHCAMO C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3 ZINC000000122782 206372058 /nfs/dbraw/zinc/37/20/58/206372058.db2.gz KRCRLEJHLWTLDE-UHFFFAOYSA-N 1 1 335.403 3.619 50 10 biogenic EHCAMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286689 564104446 /nfs/dbraw/zinc/10/44/46/564104446.db2.gz PNQCLJHKDVUVGU-SFHVURJKSA-N 1 1 349.438 3.535 50 10 EHCAMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286689 564104447 /nfs/dbraw/zinc/10/44/47/564104447.db2.gz PNQCLJHKDVUVGU-SFHVURJKSA-N 1 1 349.438 3.535 50 10 EHCAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(C)c2O)C1 ZINC000089983563 564115985 /nfs/dbraw/zinc/11/59/85/564115985.db2.gz YDQQPPKREAZGQY-HNNXBMFYSA-N 1 1 333.472 3.773 50 10 EHCAMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(C)C)C2)c1O ZINC000020773898 202054691 /nfs/dbraw/zinc/05/46/91/202054691.db2.gz RAGULENTXJTUKK-AWEZNQCLSA-N 1 1 329.444 3.627 50 10 EHCAMO COc1cc(C)cc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)c1O ZINC000164321514 564013838 /nfs/dbraw/zinc/01/38/38/564013838.db2.gz PKCSRDOBAQURJA-HNNXBMFYSA-N 1 1 332.469 3.984 50 10 EHCAMO CN(C)c1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000055543280 132195734 /nfs/dbraw/zinc/19/57/34/132195734.db2.gz OCWPPXMDKKWARS-UHFFFAOYSA-N 1 1 329.875 3.728 50 10 EHCAMO Cc1noc([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 ZINC000408519728 563993101 /nfs/dbraw/zinc/99/31/01/563993101.db2.gz VXZKLSZGOYKGAU-SFHVURJKSA-N 1 1 340.471 3.666 50 10 EHCAMO Cc1c(O)c(C[N@H+]2CCC[C@@H](C)C2)cc2c3c(c(=O)oc12)CCC3 ZINC000005025276 563519317 /nfs/dbraw/zinc/51/93/17/563519317.db2.gz QQUSMDJNSUOXTP-GFCCVEGCSA-N 1 1 327.424 3.528 50 10 EHCAMO Cc1c(O)c(C[N@@H+]2CCC[C@@H](C)C2)cc2c3c(c(=O)oc12)CCC3 ZINC000005025276 563519320 /nfs/dbraw/zinc/51/93/20/563519320.db2.gz QQUSMDJNSUOXTP-GFCCVEGCSA-N 1 1 327.424 3.528 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1Cc2cc(Cl)ccc2O[C@@H](C)C1 ZINC000014990144 563770882 /nfs/dbraw/zinc/77/08/82/563770882.db2.gz UTRTZRDUOPOLSD-LBPRGKRZSA-N 1 1 333.815 3.837 50 10 EHCAMO COc1cccc(O)c1C[N@@H+]1Cc2cc(Cl)ccc2O[C@@H](C)C1 ZINC000014990144 563770884 /nfs/dbraw/zinc/77/08/84/563770884.db2.gz UTRTZRDUOPOLSD-LBPRGKRZSA-N 1 1 333.815 3.837 50 10 EHCAMO CCOc1cccc(C[N@@H+](Cc2ccsc2)[C@H](CC)CO)c1O ZINC000055307999 563934286 /nfs/dbraw/zinc/93/42/86/563934286.db2.gz SMQJBJQDUIRDSK-MRXNPFEDSA-N 1 1 335.469 3.626 50 10 EHCAMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1O ZINC000072312080 563920209 /nfs/dbraw/zinc/92/02/09/563920209.db2.gz NNUMUVAFWHJDAB-QGZVFWFLSA-N 1 1 344.842 3.935 50 10 EHCAMO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)c1 ZINC000065533788 563961957 /nfs/dbraw/zinc/96/19/57/563961957.db2.gz IIWJLXJGTOGXNR-HNNXBMFYSA-N 1 1 329.444 3.662 50 10 EHCAMO Cc1ccc(/C=C2\SC(=S)N(C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000057218365 564153405 /nfs/dbraw/zinc/15/34/05/564153405.db2.gz TUZOSEVYMKXYNR-WJDWOHSUSA-N 1 1 346.521 3.886 50 10 EHCAMO COc1ccc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)c(OC)c1OC ZINC000008428230 564165226 /nfs/dbraw/zinc/16/52/26/564165226.db2.gz XKHCLCXWYJPCCS-UHFFFAOYSA-N 1 1 345.439 3.667 50 10 EHCAMO COc1cccc(C[N@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c1O ZINC000012753677 563670165 /nfs/dbraw/zinc/67/01/65/563670165.db2.gz SDYSNRLYTMXSSH-KRWDZBQOSA-N 1 1 330.403 3.616 50 10 EHCAMO CSCC[C@H]1c2[nH]cnc2CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000067692054 563962528 /nfs/dbraw/zinc/96/25/28/563962528.db2.gz NEAJHXCBUHKAAH-AWEZNQCLSA-N 1 1 337.876 3.621 50 10 EHCAMO CSCC[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000067692054 563962529 /nfs/dbraw/zinc/96/25/29/563962529.db2.gz NEAJHXCBUHKAAH-AWEZNQCLSA-N 1 1 337.876 3.621 50 10 EHCAMO COc1cc(Br)cc(C[N@@H+]2CCc3ccccc3C2)c1O ZINC000019634430 564077435 /nfs/dbraw/zinc/07/74/35/564077435.db2.gz KSTXHQWIVLIAMK-UHFFFAOYSA-N 1 1 348.240 3.722 50 10 EHCAMO COc1cc(Br)cc(C[N@H+]2CCc3ccccc3C2)c1O ZINC000019634430 564077436 /nfs/dbraw/zinc/07/74/36/564077436.db2.gz KSTXHQWIVLIAMK-UHFFFAOYSA-N 1 1 348.240 3.722 50 10 EHCAMO COc1cc2c(cc1OC)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000004987727 564013942 /nfs/dbraw/zinc/01/39/42/564013942.db2.gz CLDVXNJVCMMRDH-UHFFFAOYSA-N 1 1 333.815 3.621 50 10 EHCAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000004987727 564013943 /nfs/dbraw/zinc/01/39/43/564013943.db2.gz CLDVXNJVCMMRDH-UHFFFAOYSA-N 1 1 333.815 3.621 50 10 EHCAMO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1c(O)ccc2ccccc21 ZINC000012785012 564070230 /nfs/dbraw/zinc/07/02/30/564070230.db2.gz UARDHAINVJRHSG-UHFFFAOYSA-N 1 1 335.403 3.949 50 10 EHCAMO Cc1ccc(C(C)C)c(O)c1C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000095996994 564144302 /nfs/dbraw/zinc/14/43/02/564144302.db2.gz VZMNAYBXVJVILN-KRWDZBQOSA-N 1 1 344.499 3.562 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](c2n[nH]cc2C(C)C)C1 ZINC000023129897 202099346 /nfs/dbraw/zinc/09/93/46/202099346.db2.gz YHFJHAHJSVGFCZ-AWEZNQCLSA-N 1 1 329.444 3.627 50 10 EHCAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000012031321 563652667 /nfs/dbraw/zinc/65/26/67/563652667.db2.gz RLYROAHXBFCSPX-HNNXBMFYSA-N 1 1 343.398 3.635 50 10 EHCAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 ZINC000004553989 563778051 /nfs/dbraw/zinc/77/80/51/563778051.db2.gz LMOBRUJBCKABEJ-INIZCTEOSA-N 1 1 343.452 3.649 50 10 EHCAMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nc(CC(C)C)no3)C2)c1 ZINC000065533793 563961941 /nfs/dbraw/zinc/96/19/41/563961941.db2.gz IIWJLXJGTOGXNR-OAHLLOKOSA-N 1 1 329.444 3.662 50 10 EHCAMO Cc1cnc(C2CC2)n1[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000581806148 1132368089 /nfs/dbraw/zinc/36/80/89/1132368089.db2.gz MEWFJPCDODDDOT-INIZCTEOSA-N 1 1 329.419 3.751 50 10 EHCAMO Cc1cnc(C2CC2)n1[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000581806148 1132368099 /nfs/dbraw/zinc/36/80/99/1132368099.db2.gz MEWFJPCDODDDOT-INIZCTEOSA-N 1 1 329.419 3.751 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1Cc2cc(Cl)ccc2O[C@H](C)C1 ZINC000014990142 563770567 /nfs/dbraw/zinc/77/05/67/563770567.db2.gz UTRTZRDUOPOLSD-GFCCVEGCSA-N 1 1 333.815 3.837 50 10 EHCAMO COc1cccc(O)c1C[N@@H+]1Cc2cc(Cl)ccc2O[C@H](C)C1 ZINC000014990142 563770569 /nfs/dbraw/zinc/77/05/69/563770569.db2.gz UTRTZRDUOPOLSD-GFCCVEGCSA-N 1 1 333.815 3.837 50 10 EHCAMO CC(=O)N1CC[NH+](Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC000023281228 563918458 /nfs/dbraw/zinc/91/84/58/563918458.db2.gz IGVGSMOZBAFBOI-UHFFFAOYSA-N 1 1 346.515 3.651 50 10 EHCAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)c1 ZINC000065408307 563960360 /nfs/dbraw/zinc/96/03/60/563960360.db2.gz YVFQMWSYQHJSSR-OAHLLOKOSA-N 1 1 327.424 3.707 50 10 EHCAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000075260760 202380025 /nfs/dbraw/zinc/38/00/25/202380025.db2.gz YYFNBJAFBWYTFY-QGZVFWFLSA-N 1 1 340.467 3.626 50 10 EHCAMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(F)cc3)C1)CCC2 ZINC000040061141 564167874 /nfs/dbraw/zinc/16/78/74/564167874.db2.gz PRFSEPXZGQLCTL-HXUWFJFHSA-N 1 1 327.399 3.594 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000012458898 563661579 /nfs/dbraw/zinc/66/15/79/563661579.db2.gz BBMPWBAUAHDDOP-AWEZNQCLSA-N 1 1 348.393 3.756 50 10 EHCAMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc(Br)s2)cc1O ZINC000095996986 564144312 /nfs/dbraw/zinc/14/43/12/564144312.db2.gz YKSLEWWYFGCNRJ-UHFFFAOYSA-N 1 1 342.258 3.862 50 10 EHCAMO Cc1cccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1O ZINC000055060481 563933527 /nfs/dbraw/zinc/93/35/27/563933527.db2.gz VAJXGXPKAHSJJT-UHFFFAOYSA-N 1 1 325.387 3.862 50 10 EHCAMO COc1cc(C)cc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)c1O ZINC000164321394 533629666 /nfs/dbraw/zinc/62/96/66/533629666.db2.gz PKCSRDOBAQURJA-OAHLLOKOSA-N 1 1 332.469 3.984 50 10 EHCAMO OC[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000012744852 563669869 /nfs/dbraw/zinc/66/98/69/563669869.db2.gz PBYHLNASCZECOD-FQEVSTJZSA-N 1 1 345.870 3.863 50 10 EHCAMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2CC)c1O ZINC000021720892 212245252 /nfs/dbraw/zinc/24/52/52/212245252.db2.gz CYHWUERRWACGJV-OAHLLOKOSA-N 1 1 330.428 3.987 50 10 EHCAMO Cc1c(O)c(C[NH+]2CCCCC2)cc2c3c(c(=O)oc12)CCCC3 ZINC000004749683 210270965 /nfs/dbraw/zinc/27/09/65/210270965.db2.gz KCDLJJMWMXDAHI-UHFFFAOYSA-N 1 1 327.424 3.672 50 10 EHCAMO Cc1ccccc1/C=C1\SC(=S)N(C[NH+]2CCCCC2)C1=O ZINC000103838894 564023160 /nfs/dbraw/zinc/02/31/60/564023160.db2.gz NOQJFPJYFZPVBF-PTNGSMBKSA-N 1 1 332.494 3.640 50 10 EHCAMO C[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1c(O)ccc2ccccc21 ZINC000006590734 564092521 /nfs/dbraw/zinc/09/25/21/564092521.db2.gz ZJMMOFSRXVXXCL-UHFFFAOYSA-N 1 1 338.382 3.755 50 10 EHCAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(C)c(C)cc1O)CC2 ZINC000007076436 564104741 /nfs/dbraw/zinc/10/47/41/564104741.db2.gz YJWZWXONRHPKMT-UHFFFAOYSA-N 1 1 327.424 3.585 50 10 EHCAMO CCOc1cccc(C[N@@H+](CCOC)Cc2sccc2C)c1O ZINC000055242355 214293767 /nfs/dbraw/zinc/29/37/67/214293767.db2.gz AQDRJRKSEMSLQG-UHFFFAOYSA-N 1 1 335.469 3.809 50 10 EHCAMO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000035526375 213035027 /nfs/dbraw/zinc/03/50/27/213035027.db2.gz CAEYYAXRMOWHKY-HXUWFJFHSA-N 1 1 347.414 3.645 50 10 EHCAMO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000035526375 213035031 /nfs/dbraw/zinc/03/50/31/213035031.db2.gz CAEYYAXRMOWHKY-HXUWFJFHSA-N 1 1 347.414 3.645 50 10 EHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3n[nH]cc3C(C)C)C2)c1 ZINC000020202298 212111318 /nfs/dbraw/zinc/11/13/18/212111318.db2.gz COLYYMDVRUPQJI-AWEZNQCLSA-N 1 1 329.444 3.627 50 10 EHCAMO COC1CCN(c2ccc(C[N@@H+](C)CCC3CCOCC3)cc2)CC1 ZINC000296797886 564090337 /nfs/dbraw/zinc/09/03/37/564090337.db2.gz OUKNRQJEHRXCHC-UHFFFAOYSA-N 1 1 346.515 3.550 50 10 EHCAMO COc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c(O)c1 ZINC000015066026 563775037 /nfs/dbraw/zinc/77/50/37/563775037.db2.gz VBNASNOQRHFFDQ-HNNXBMFYSA-N 1 1 348.393 3.756 50 10 EHCAMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1O ZINC000072312079 563920229 /nfs/dbraw/zinc/92/02/29/563920229.db2.gz NNUMUVAFWHJDAB-KRWDZBQOSA-N 1 1 344.842 3.935 50 10 EHCAMO COc1ccc(N2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)cc1 ZINC000012592858 564060256 /nfs/dbraw/zinc/06/02/56/564060256.db2.gz GDYFBHNTMPGFHM-UHFFFAOYSA-N 1 1 349.434 3.672 50 10 EHCAMO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1c(O)ccc2ccncc21 ZINC000083115152 564061262 /nfs/dbraw/zinc/06/12/62/564061262.db2.gz HEWHVACGVQKHSY-UHFFFAOYSA-N 1 1 339.464 3.908 50 10 EHCAMO COc1cccc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1O ZINC000067692429 215188038 /nfs/dbraw/zinc/18/80/38/215188038.db2.gz QNCUWVZOFIKXCD-HNNXBMFYSA-N 1 1 337.423 3.657 50 10 EHCAMO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)CC1CC1 ZINC000006398234 563871400 /nfs/dbraw/zinc/87/14/00/563871400.db2.gz XSMOZCVIYHWQGF-UHFFFAOYSA-N 1 1 328.250 3.785 50 10 EHCAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)c1O ZINC000019300999 212014483 /nfs/dbraw/zinc/01/44/83/212014483.db2.gz PJDABHGCRWRRRH-OAHLLOKOSA-N 1 1 343.471 3.702 50 10 EHCAMO COCC[N@@H+](C/C=C/c1ccccc1)Cc1cccc(OC)c1O ZINC000055242927 214293990 /nfs/dbraw/zinc/29/39/90/214293990.db2.gz GBHQBSKOAJNUOD-JXMROGBWSA-N 1 1 327.424 3.563 50 10 EHCAMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(C)C)C2)c1O ZINC000020773895 212170720 /nfs/dbraw/zinc/17/07/20/212170720.db2.gz RAGULENTXJTUKK-CQSZACIVSA-N 1 1 329.444 3.627 50 10 EHCAMO COc1ccc(N2CC[NH+](C/C=C/c3ccccc3OC)CC2)cc1 ZINC000023281844 563918882 /nfs/dbraw/zinc/91/88/82/563918882.db2.gz FFSGCRBYTNWUOJ-FNORWQNLSA-N 1 1 338.451 3.539 50 10 EHCAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000058590873 563946849 /nfs/dbraw/zinc/94/68/49/563946849.db2.gz ITPKBYIVRRRUPV-HNNXBMFYSA-N 1 1 333.472 3.773 50 10 EHCAMO COc1ccc(O)c(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000023374041 1035241525 /nfs/dbraw/zinc/24/15/25/1035241525.db2.gz LZSQEVMLRKLPFG-SFHVURJKSA-N 1 1 332.488 3.535 50 10 EHCAMO COc1ccc(O)c(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000023374041 1035241528 /nfs/dbraw/zinc/24/15/28/1035241528.db2.gz LZSQEVMLRKLPFG-SFHVURJKSA-N 1 1 332.488 3.535 50 10 EHCAMO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000035526374 213035422 /nfs/dbraw/zinc/03/54/22/213035422.db2.gz CAEYYAXRMOWHKY-FQEVSTJZSA-N 1 1 347.414 3.645 50 10 EHCAMO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000035526374 213035425 /nfs/dbraw/zinc/03/54/25/213035425.db2.gz CAEYYAXRMOWHKY-FQEVSTJZSA-N 1 1 347.414 3.645 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000012458896 211389138 /nfs/dbraw/zinc/38/91/38/211389138.db2.gz BBMPWBAUAHDDOP-CQSZACIVSA-N 1 1 348.393 3.756 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](C(=O)c2sccc2C)C1 ZINC000012302262 211338716 /nfs/dbraw/zinc/33/87/16/211338716.db2.gz WRHNTUPNCQEWMM-AWEZNQCLSA-N 1 1 345.464 3.866 50 10 EHCAMO COc1ccc(C[N@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c(O)c1 ZINC000012001957 211277202 /nfs/dbraw/zinc/27/72/02/211277202.db2.gz WVRBJYZUBLXYPB-KRWDZBQOSA-N 1 1 330.403 3.616 50 10 EHCAMO CC1=CC(=C2SC(=S)[N-]C2=O)C=C(C)N1CCc1ccccc1 ZINC000685944445 564051393 /nfs/dbraw/zinc/05/13/93/564051393.db2.gz MMXOFMTXGNCHFJ-UHFFFAOYSA-N 1 1 342.489 3.754 50 10 EHCAMO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000581807423 1132370047 /nfs/dbraw/zinc/37/00/47/1132370047.db2.gz MVVBQGKMULFFPS-HNNXBMFYSA-N 1 1 343.446 3.826 50 10 EHCAMO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000581807423 1132370053 /nfs/dbraw/zinc/37/00/53/1132370053.db2.gz MVVBQGKMULFFPS-HNNXBMFYSA-N 1 1 343.446 3.826 50 10 EHCAMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2c(C)noc2CC)c1O ZINC000021720894 212243945 /nfs/dbraw/zinc/24/39/45/212243945.db2.gz CYHWUERRWACGJV-HNNXBMFYSA-N 1 1 330.428 3.987 50 10 EHCAMO CCn1c[nH+]c2cc(NCc3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000000423360 563998354 /nfs/dbraw/zinc/99/83/54/563998354.db2.gz QSVVEFDJGZAUHM-UHFFFAOYSA-N 1 1 341.411 3.694 50 10 EHCAMO C[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000013007990 564086463 /nfs/dbraw/zinc/08/64/63/564086463.db2.gz HIHAHAGJWODOQN-NSHDSACASA-N 1 1 336.229 3.529 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000011789890 211247579 /nfs/dbraw/zinc/24/75/79/211247579.db2.gz RGOOQQHEGYTBLD-OAHLLOKOSA-N 1 1 343.471 3.702 50 10 EHCAMO COc1cccc(C[N@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c1O ZINC000012753675 563670118 /nfs/dbraw/zinc/67/01/18/563670118.db2.gz SDYSNRLYTMXSSH-QGZVFWFLSA-N 1 1 330.403 3.616 50 10 EHCAMO COc1ccc(C(=O)c2c(C)oc3ccc(O)c(C[NH+](C)C)c32)cc1 ZINC000006720174 564096367 /nfs/dbraw/zinc/09/63/67/564096367.db2.gz BWVLWZVKKBVGPM-UHFFFAOYSA-N 1 1 339.391 3.748 50 10 EHCAMO OC[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000012744850 563669840 /nfs/dbraw/zinc/66/98/40/563669840.db2.gz PBYHLNASCZECOD-HXUWFJFHSA-N 1 1 345.870 3.863 50 10 EHCAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000012031318 211281235 /nfs/dbraw/zinc/28/12/35/211281235.db2.gz RLYROAHXBFCSPX-OAHLLOKOSA-N 1 1 343.398 3.635 50 10 EHCAMO Cc1ccc([C@H]2c3[nH]cnc3CC[N@@H+]2Cc2cc(C)ccc2O)cc1 ZINC000067491106 215154917 /nfs/dbraw/zinc/15/49/17/215154917.db2.gz XCTGVXARRSBCNV-NRFANRHFSA-N 1 1 333.435 3.880 50 10 EHCAMO CC[NH+](CC)Cc1c2c(ccc1O)oc(C)c2C(=O)NC1CCCC1 ZINC000005182442 1033406543 /nfs/dbraw/zinc/40/65/43/1033406543.db2.gz OJWKFKRGBUIKFM-UHFFFAOYSA-N 1 1 344.455 3.961 50 10 EHCAMO COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)c1 ZINC000065408306 563960355 /nfs/dbraw/zinc/96/03/55/563960355.db2.gz YVFQMWSYQHJSSR-HNNXBMFYSA-N 1 1 327.424 3.707 50 10 EHCAMO COc1ccc(O)c(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000023374038 1035241815 /nfs/dbraw/zinc/24/18/15/1035241815.db2.gz LZSQEVMLRKLPFG-GOSISDBHSA-N 1 1 332.488 3.535 50 10 EHCAMO COc1ccc(O)c(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000023374038 1035241818 /nfs/dbraw/zinc/24/18/18/1035241818.db2.gz LZSQEVMLRKLPFG-GOSISDBHSA-N 1 1 332.488 3.535 50 10 EHCAMO Cc1cnc(C2CC2)n1[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000581806153 1132368301 /nfs/dbraw/zinc/36/83/01/1132368301.db2.gz MEWFJPCDODDDOT-MRXNPFEDSA-N 1 1 329.419 3.751 50 10 EHCAMO Cc1cnc(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000581806153 1132368310 /nfs/dbraw/zinc/36/83/10/1132368310.db2.gz MEWFJPCDODDDOT-MRXNPFEDSA-N 1 1 329.419 3.751 50 10 EHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)c1 ZINC000012703448 563668011 /nfs/dbraw/zinc/66/80/11/563668011.db2.gz AUSRCOPVDSESEL-QGZVFWFLSA-N 1 1 330.403 3.616 50 10 EHCAMO COc1ccc(N2CCC([N@@H+](C)[C@H](C)c3ccncc3)CC2)cc1 ZINC000065406973 563960333 /nfs/dbraw/zinc/96/03/33/563960333.db2.gz YZHQASGZAKTHOE-MRXNPFEDSA-N 1 1 325.456 3.752 50 10 EHCAMO COc1cccc(O)c1C[N@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000055167452 214281324 /nfs/dbraw/zinc/28/13/24/214281324.db2.gz SOPCMPJJFVBCLW-HNNXBMFYSA-N 1 1 333.453 3.644 50 10 EHCAMO Cc1cccc(NN=C(C(N)=O)C2=[NH+]C(C)(C)Cc3ccccc32)c1 ZINC000100702575 219105232 /nfs/dbraw/zinc/10/52/32/219105232.db2.gz HKJVWUIGFHYUNC-QZOSNYCWSA-N 1 1 334.423 3.857 50 10 EHCAMO COc1ccc(C[N@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c(O)c1 ZINC000012001954 211277661 /nfs/dbraw/zinc/27/76/61/211277661.db2.gz WVRBJYZUBLXYPB-QGZVFWFLSA-N 1 1 330.403 3.616 50 10 EHCAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(C)c2O)C1 ZINC000089983562 564116019 /nfs/dbraw/zinc/11/60/19/564116019.db2.gz YDQQPPKREAZGQY-OAHLLOKOSA-N 1 1 333.472 3.773 50 10 EHCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C)cc2O)N3)C1 ZINC000004556159 210220097 /nfs/dbraw/zinc/22/00/97/210220097.db2.gz SQFDJBXSNGOISE-INIZCTEOSA-N 1 1 343.452 3.569 50 10 EHCAMO COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000004988646 210351222 /nfs/dbraw/zinc/35/12/22/210351222.db2.gz CQTBQBLBDYGNTD-PHIMTYICSA-N 1 1 328.250 3.641 50 10 EHCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(C)c2O)N3)C1 ZINC000006654906 564095488 /nfs/dbraw/zinc/09/54/88/564095488.db2.gz NZHYPXLFJKFDJS-INIZCTEOSA-N 1 1 343.452 3.569 50 10 EHCAMO CN(C)c1ccc(/C=C/C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000004980796 563517001 /nfs/dbraw/zinc/51/70/01/563517001.db2.gz BUWYZOHUTAUJRH-AATRIKPKSA-N 1 1 339.458 3.727 50 10 EHCAMO CCOc1cccc(C[N@@H+](Cc2ccsc2)[C@@H](CC)CO)c1O ZINC000055307998 214304289 /nfs/dbraw/zinc/30/42/89/214304289.db2.gz SMQJBJQDUIRDSK-INIZCTEOSA-N 1 1 335.469 3.626 50 10 EHCAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 ZINC000004553991 210221075 /nfs/dbraw/zinc/22/10/75/210221075.db2.gz LMOBRUJBCKABEJ-MRXNPFEDSA-N 1 1 343.452 3.649 50 10 EHCAMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1c(O)ccc2ccncc21 ZINC000012908325 564077894 /nfs/dbraw/zinc/07/78/94/564077894.db2.gz UXCZLEXEKWPLBJ-UHFFFAOYSA-N 1 1 344.418 3.758 50 10 EHCAMO Oc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@H]1CCc1ccccc1 ZINC000067919730 215250055 /nfs/dbraw/zinc/25/00/55/215250055.db2.gz DYPFMQBPMZZKNV-LJQANCHMSA-N 1 1 333.435 3.848 50 10 EHCAMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(F)cc3)C1)CCC2 ZINC000040061138 213256686 /nfs/dbraw/zinc/25/66/86/213256686.db2.gz PRFSEPXZGQLCTL-FQEVSTJZSA-N 1 1 327.399 3.594 50 10 EHCAMO CCN(CC)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019634501 212052382 /nfs/dbraw/zinc/05/23/82/212052382.db2.gz AFXWZAVSWOSACX-UHFFFAOYSA-N 1 1 337.511 3.851 50 10 EHCAMO COc1cccc(O)c1C[N@H+](Cc1ccsc1)C[C@H]1CCCO1 ZINC000055167457 214281425 /nfs/dbraw/zinc/28/14/25/214281425.db2.gz SOPCMPJJFVBCLW-OAHLLOKOSA-N 1 1 333.453 3.644 50 10 EHCAMO Cc1c(O)c(C[NH+]2CCC(C)CC2)cc2c3c(c(=O)oc12)CCCC3 ZINC000005235485 210420423 /nfs/dbraw/zinc/42/04/23/210420423.db2.gz YKQQTOZYMNZZOW-UHFFFAOYSA-N 1 1 341.451 3.918 50 10 EHCAMO O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1C[NH+]1CCCC1 ZINC000334163635 258016157 /nfs/dbraw/zinc/01/61/57/258016157.db2.gz ZKOUKMHXKWHOFT-LCYFTJDESA-N 1 1 338.885 3.595 50 10 EHCAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)cc1 ZINC000008189651 564163426 /nfs/dbraw/zinc/16/34/26/564163426.db2.gz HINPLPFTMJKWLY-QGZVFWFLSA-N 1 1 341.407 3.857 50 10 EHCAMO Oc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@@H]1CCc1ccccc1 ZINC000067919732 215249929 /nfs/dbraw/zinc/24/99/29/215249929.db2.gz DYPFMQBPMZZKNV-IBGZPJMESA-N 1 1 333.435 3.848 50 10 EHCAMO CSc1nnc(C[N@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000069707592 564171711 /nfs/dbraw/zinc/17/17/11/564171711.db2.gz MJLHUFOCTSJGSM-UHFFFAOYSA-N 1 1 335.498 3.910 50 10 EHCAMO CSc1nnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000069707592 564171712 /nfs/dbraw/zinc/17/17/12/564171712.db2.gz MJLHUFOCTSJGSM-UHFFFAOYSA-N 1 1 335.498 3.910 50 10 EHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)c3sccc3C)C2)c1 ZINC000012464253 211390522 /nfs/dbraw/zinc/39/05/22/211390522.db2.gz FXQRYZNCQKECNT-CQSZACIVSA-N 1 1 345.464 3.866 50 10 EHCAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)cc1F ZINC000012386057 211365158 /nfs/dbraw/zinc/36/51/58/211365158.db2.gz SFFJXJQGQDRFDH-INIZCTEOSA-N 1 1 343.398 3.635 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](C(=O)c2sccc2C)C1 ZINC000012302260 211338371 /nfs/dbraw/zinc/33/83/71/211338371.db2.gz WRHNTUPNCQEWMM-CQSZACIVSA-N 1 1 345.464 3.866 50 10 EHCAMO Cc1c(O)c(C[N@H+]2CCC[C@H](C)C2)cc2c3c(c(=O)oc12)CCC3 ZINC000005025275 210364824 /nfs/dbraw/zinc/36/48/24/210364824.db2.gz QQUSMDJNSUOXTP-LBPRGKRZSA-N 1 1 327.424 3.528 50 10 EHCAMO Cc1c(O)c(C[N@@H+]2CCC[C@H](C)C2)cc2c3c(c(=O)oc12)CCC3 ZINC000005025275 210364826 /nfs/dbraw/zinc/36/48/26/210364826.db2.gz QQUSMDJNSUOXTP-LBPRGKRZSA-N 1 1 327.424 3.528 50 10 EHCAMO C[N@H+](Cc1cscn1)C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000952981137 1137485264 /nfs/dbraw/zinc/48/52/64/1137485264.db2.gz GTCSYPJTJGNZQF-UHFFFAOYSA-N 1 1 327.497 3.733 50 10 EHCAMO C[N@@H+](Cc1cscn1)C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000952981137 1137485265 /nfs/dbraw/zinc/48/52/65/1137485265.db2.gz GTCSYPJTJGNZQF-UHFFFAOYSA-N 1 1 327.497 3.733 50 10 EHCAMO COc1ccc(-n2c(C)cc(C(=O)C[NH+]3CCCCC3)c2C)cc1 ZINC000000089251 563221804 /nfs/dbraw/zinc/22/18/04/563221804.db2.gz VBOQOZOWVULYSK-UHFFFAOYSA-N 1 1 326.440 3.771 50 10 EHCAMO COc1ccc(-c2cc(=O)oc3c(C)c(O)c(C[NH+](C)C)cc23)cc1 ZINC000000489632 564090565 /nfs/dbraw/zinc/09/05/65/564090565.db2.gz CJLPBRABBONKIB-UHFFFAOYSA-N 1 1 339.391 3.544 50 10 biogenic EHCAMO Cc1ccccc1/C=C1/SC(=S)N(C[NH+]2CCCCC2)C1=O ZINC000023279548 212366268 /nfs/dbraw/zinc/36/62/68/212366268.db2.gz NOQJFPJYFZPVBF-RVDMUPIBSA-N 1 1 332.494 3.640 50 10 EHCAMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2C1 ZINC000236721076 242333932 /nfs/dbraw/zinc/33/39/32/242333932.db2.gz MGZWELYPRVMZQR-UHFFFAOYSA-N 1 1 337.467 3.812 50 10 EHCAMO Cc1cc(C[NH+]2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000020528638 212143384 /nfs/dbraw/zinc/14/33/84/212143384.db2.gz IPTKKFPKSJSSRB-UHFFFAOYSA-N 1 1 338.373 3.945 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000014957546 563768083 /nfs/dbraw/zinc/76/80/83/563768083.db2.gz WAGCCCQWELDCPB-INIZCTEOSA-N 1 1 330.403 3.616 50 10 EHCAMO C[C@H](c1ccco1)[N@H+](Cc1cc(=O)oc2cc(O)c(O)cc12)C1CC1 ZINC000097135212 563968137 /nfs/dbraw/zinc/96/81/37/563968137.db2.gz STJQZXVKBGKWHU-LLVKDONJSA-N 1 1 341.363 3.523 50 10 EHCAMO C[C@H](c1ccco1)[N@@H+](Cc1cc(=O)oc2cc(O)c(O)cc12)C1CC1 ZINC000097135212 563968138 /nfs/dbraw/zinc/96/81/38/563968138.db2.gz STJQZXVKBGKWHU-LLVKDONJSA-N 1 1 341.363 3.523 50 10 EHCAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)on1 ZINC000035511238 213035722 /nfs/dbraw/zinc/03/57/22/213035722.db2.gz FWHJWONUGMUFIO-CYBMUJFWSA-N 1 1 337.217 3.788 50 10 EHCAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)on1 ZINC000035511238 213035725 /nfs/dbraw/zinc/03/57/25/213035725.db2.gz FWHJWONUGMUFIO-CYBMUJFWSA-N 1 1 337.217 3.788 50 10 EHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(C)C)C1 ZINC000023129895 212352594 /nfs/dbraw/zinc/35/25/94/212352594.db2.gz YHFJHAHJSVGFCZ-CQSZACIVSA-N 1 1 329.444 3.627 50 10 EHCAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000089983556 564115998 /nfs/dbraw/zinc/11/59/98/564115998.db2.gz ITPKBYIVRRRUPV-OAHLLOKOSA-N 1 1 333.472 3.773 50 10 EHCAMO Cc1ccc(C(C)C)c(O)c1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000095996995 564144285 /nfs/dbraw/zinc/14/42/85/564144285.db2.gz VZMNAYBXVJVILN-QGZVFWFLSA-N 1 1 344.499 3.562 50 10 EHCAMO CN1CCCCCC[N@H+](Cc2cccc(F)c2O)[C@H]2CCC[C@H]2C1=O ZINC000257179220 1034725643 /nfs/dbraw/zinc/72/56/43/1034725643.db2.gz IEBDUZRXXOKJKY-AEFFLSMTSA-N 1 1 348.462 3.534 50 10 EHCAMO CN1CCCCCC[N@@H+](Cc2cccc(F)c2O)[C@H]2CCC[C@H]2C1=O ZINC000257179220 1034725657 /nfs/dbraw/zinc/72/56/57/1034725657.db2.gz IEBDUZRXXOKJKY-AEFFLSMTSA-N 1 1 348.462 3.534 50 10 EHCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(C)ccc2O)N3)C1 ZINC000004556439 210221014 /nfs/dbraw/zinc/22/10/14/210221014.db2.gz SKSDIZIZXPZAPR-INIZCTEOSA-N 1 1 343.452 3.569 50 10 EHCAMO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)c(C)c3)C2)n1 ZINC000408519727 563993115 /nfs/dbraw/zinc/99/31/15/563993115.db2.gz VXZKLSZGOYKGAU-GOSISDBHSA-N 1 1 340.471 3.666 50 10 EHCAMO C[N@H+](Cc1c(O)ccc2ccccc21)C[C@H]1COc2ccccc2O1 ZINC000003415214 210032191 /nfs/dbraw/zinc/03/21/91/210032191.db2.gz YGRUCLUZIYWFDZ-INIZCTEOSA-N 1 1 335.403 3.817 50 10 EHCAMO CSCC[C@@H]1c2[nH]cnc2CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000067692052 215187477 /nfs/dbraw/zinc/18/74/77/215187477.db2.gz NEAJHXCBUHKAAH-CQSZACIVSA-N 1 1 337.876 3.621 50 10 EHCAMO CSCC[C@@H]1c2[nH]cnc2CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000067692052 215187481 /nfs/dbraw/zinc/18/74/81/215187481.db2.gz NEAJHXCBUHKAAH-CQSZACIVSA-N 1 1 337.876 3.621 50 10 EHCAMO Cc1cccc(/C=C2/SC(=S)N(C[NH+]3CCCCC3)C2=O)c1 ZINC000023279527 212366544 /nfs/dbraw/zinc/36/65/44/212366544.db2.gz VIZOVBRKKCXFMJ-RVDMUPIBSA-N 1 1 332.494 3.640 50 10 EHCAMO C[C@@H](c1ccco1)[N@H+](Cc1cc(=O)oc2cc(O)c(O)cc12)C1CC1 ZINC000097135209 563968114 /nfs/dbraw/zinc/96/81/14/563968114.db2.gz STJQZXVKBGKWHU-NSHDSACASA-N 1 1 341.363 3.523 50 10 EHCAMO C[C@@H](c1ccco1)[N@@H+](Cc1cc(=O)oc2cc(O)c(O)cc12)C1CC1 ZINC000097135209 563968115 /nfs/dbraw/zinc/96/81/15/563968115.db2.gz STJQZXVKBGKWHU-NSHDSACASA-N 1 1 341.363 3.523 50 10 EHCAMO CCOc1cc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)ccc1O ZINC000225534294 564047571 /nfs/dbraw/zinc/04/75/71/564047571.db2.gz 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