smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)ccc1OC ZINC000000752305 132378295 /nfs/dbraw/zinc/37/82/95/132378295.db2.gz JUHPDZBTXALPMU-UHFFFAOYSA-N 1 1 356.466 3.425 50 10 FGCAMO COc1ccc(N2CC[N@@H+](Cc3cnc(N(C)C)s3)CC2(C)C)cc1 ZINC000072141905 494133375 /nfs/dbraw/zinc/13/33/75/494133375.db2.gz SXHGWMDRSUWBDA-UHFFFAOYSA-N 1 1 360.527 3.319 50 10 FGCAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@H+]3CCCC[C@@H]3CO)c2)c1 ZINC000012245106 494216844 /nfs/dbraw/zinc/21/68/44/494216844.db2.gz WNXUJOUJEPVCOP-QGZVFWFLSA-N 1 1 357.450 3.423 50 10 FGCAMO CN(C)c1ccc([C@H](CNC(=O)C2CC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349252 494075572 /nfs/dbraw/zinc/07/55/72/494075572.db2.gz ZPCMXGZVJYXJFV-QFIPXVFZSA-N 1 1 363.505 3.378 50 10 FGCAMO O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000012373109 494227767 /nfs/dbraw/zinc/22/77/67/494227767.db2.gz KRDZRLAKFCGOCS-CQSZACIVSA-N 1 1 359.857 3.083 50 10 FGCAMO CCN(CC)C(=O)N(C)[C@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2[N@@H+](C)C1 ZINC000005608734 204217388 /nfs/dbraw/zinc/21/73/88/204217388.db2.gz IUDWQVQNXFHEFN-ILZDJORESA-N 1 1 368.525 3.284 50 10 FGCAMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC000248616554 497058151 /nfs/dbraw/zinc/05/81/51/497058151.db2.gz LYKVYTSXMGUOOH-QXAKKESOSA-N 1 1 359.514 3.488 50 10 FGCAMO COCC[N@@H+](C)CCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000048466894 570955726 /nfs/dbraw/zinc/95/57/26/570955726.db2.gz GSSCWHNJVAIIDS-UHFFFAOYSA-N 1 1 372.307 3.156 50 10 FGCAMO C[N@H+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730391 571258542 /nfs/dbraw/zinc/25/85/42/571258542.db2.gz HNEVCERPQUACIP-FUHWJXTLSA-N 1 1 356.466 3.195 50 10 FGCAMO C[NH+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730391 571258543 /nfs/dbraw/zinc/25/85/43/571258543.db2.gz HNEVCERPQUACIP-FUHWJXTLSA-N 1 1 356.466 3.195 50 10 FGCAMO C[NH+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730391 571258544 /nfs/dbraw/zinc/25/85/44/571258544.db2.gz HNEVCERPQUACIP-FUHWJXTLSA-N 1 1 356.466 3.195 50 10 FGCAMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)c1O ZINC000065492571 205356073 /nfs/dbraw/zinc/35/60/73/205356073.db2.gz MNQJHIQCWFDJAZ-MRXNPFEDSA-N 1 1 366.421 3.225 50 10 FGCAMO CN(C)c1ccc(/C=C/C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004981010 493905659 /nfs/dbraw/zinc/90/56/59/493905659.db2.gz XJZLOYZOBPHYOH-ONEGZZNKSA-N 1 1 366.465 3.496 50 10 FGCAMO O=C1CC[C@]2(CCC[N@H+](Cc3ccccc3O)C2)CN1Cc1ccncc1 ZINC000072474841 494180628 /nfs/dbraw/zinc/18/06/28/494180628.db2.gz REWBIKNMJDQBAX-QFIPXVFZSA-N 1 1 365.477 3.192 50 10 FGCAMO OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1Cc1cccs1 ZINC000020452070 527566669 /nfs/dbraw/zinc/56/66/69/527566669.db2.gz KLFVBUHQWMPIFU-MRXNPFEDSA-N 1 1 366.914 3.176 50 10 FGCAMO OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1Cc1cccs1 ZINC000020452070 527566673 /nfs/dbraw/zinc/56/66/73/527566673.db2.gz KLFVBUHQWMPIFU-MRXNPFEDSA-N 1 1 366.914 3.176 50 10 FGCAMO CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)cc2)c1C ZINC000216978405 206360724 /nfs/dbraw/zinc/36/07/24/206360724.db2.gz JLTXBNWRBXPWOZ-HNNXBMFYSA-N 1 1 353.466 3.073 50 10 FGCAMO CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)cc2)c1C ZINC000216978405 206360726 /nfs/dbraw/zinc/36/07/26/206360726.db2.gz JLTXBNWRBXPWOZ-HNNXBMFYSA-N 1 1 353.466 3.073 50 10 FGCAMO CCOC(=O)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC000019795196 494460288 /nfs/dbraw/zinc/46/02/88/494460288.db2.gz CVIFGAPCLFBVOL-UHFFFAOYSA-N 1 1 358.413 3.472 50 10 FGCAMO CCCC[N@@H+](C)C[C@@H]1C(=O)N(Cc2ccccc2)N[C@@H]1c1ccccc1O ZINC000248237526 496974400 /nfs/dbraw/zinc/97/44/00/496974400.db2.gz NBKOOOMGVDBCEM-PZJWPPBQSA-N 1 1 367.493 3.328 50 10 FGCAMO COc1ccc(N2CCC[N@H+](CC(=O)NC3CCCCCC3)CC2)cc1 ZINC000052465580 205185048 /nfs/dbraw/zinc/18/50/48/205185048.db2.gz ODNBALZGBLTROH-UHFFFAOYSA-N 1 1 359.514 3.046 50 10 FGCAMO COc1ccc(N2CCC[N@@H+](CC(=O)NC3CCCCCC3)CC2)cc1 ZINC000052465580 205185052 /nfs/dbraw/zinc/18/50/52/205185052.db2.gz ODNBALZGBLTROH-UHFFFAOYSA-N 1 1 359.514 3.046 50 10 FGCAMO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCN(C)CC3)cc2)cc(OC)c1 ZINC000058330147 136131608 /nfs/dbraw/zinc/13/16/08/136131608.db2.gz MUIQLADZWPDQOL-QGZVFWFLSA-N 1 1 369.509 3.306 50 10 FGCAMO CC(C)Cc1noc([C@H](C)[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)n1 ZINC000067692476 205383929 /nfs/dbraw/zinc/38/39/29/205383929.db2.gz YQMOBRVKTHTSRY-AWEZNQCLSA-N 1 1 372.469 3.316 50 10 FGCAMO COCCn1ncc2c1[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCC2 ZINC000364577236 498033180 /nfs/dbraw/zinc/03/31/80/498033180.db2.gz JBMVKUQAZZFBCE-AWEZNQCLSA-N 1 1 353.825 3.195 50 10 FGCAMO COCCn1ncc2c1[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCC2 ZINC000364577245 498033722 /nfs/dbraw/zinc/03/37/22/498033722.db2.gz JBMVKUQAZZFBCE-CQSZACIVSA-N 1 1 353.825 3.195 50 10 FGCAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000023373020 136152681 /nfs/dbraw/zinc/15/26/81/136152681.db2.gz HRJFUTJVBHPAMT-OAQYLSRUSA-N 1 1 365.521 3.487 50 10 FGCAMO CC(C)CC[N@H+]1CCN(Cc2c(O)ccc3ccccc32)C[C@@H]1CCO ZINC000020999817 494485013 /nfs/dbraw/zinc/48/50/13/494485013.db2.gz YRGUBSJWATYTKY-IBGZPJMESA-N 1 1 356.510 3.460 50 10 FGCAMO CC(C)CCN1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1CCO ZINC000020999817 494485016 /nfs/dbraw/zinc/48/50/16/494485016.db2.gz YRGUBSJWATYTKY-IBGZPJMESA-N 1 1 356.510 3.460 50 10 FGCAMO CC(C)CCN1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1CCO ZINC000020999817 494485019 /nfs/dbraw/zinc/48/50/19/494485019.db2.gz YRGUBSJWATYTKY-IBGZPJMESA-N 1 1 356.510 3.460 50 10 FGCAMO C[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(N2CCOCC2)cc1 ZINC000048326566 136123447 /nfs/dbraw/zinc/12/34/47/136123447.db2.gz ZPBSQSXIIRSODQ-UHFFFAOYSA-N 1 1 353.422 3.403 50 10 FGCAMO C[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(N2CCOCC2)cc1 ZINC000048326566 136123448 /nfs/dbraw/zinc/12/34/48/136123448.db2.gz ZPBSQSXIIRSODQ-UHFFFAOYSA-N 1 1 353.422 3.403 50 10 FGCAMO CC(C)CC[N@H+]1CCN(Cc2c(O)ccc3ccccc32)C[C@H]1CCO ZINC000104408534 495282548 /nfs/dbraw/zinc/28/25/48/495282548.db2.gz YRGUBSJWATYTKY-LJQANCHMSA-N 1 1 356.510 3.460 50 10 FGCAMO CC(C)CCN1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1CCO ZINC000104408534 495282552 /nfs/dbraw/zinc/28/25/52/495282552.db2.gz YRGUBSJWATYTKY-LJQANCHMSA-N 1 1 356.510 3.460 50 10 FGCAMO CC(C)CCN1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1CCO ZINC000104408534 495282558 /nfs/dbraw/zinc/28/25/58/495282558.db2.gz YRGUBSJWATYTKY-LJQANCHMSA-N 1 1 356.510 3.460 50 10 FGCAMO COc1ccc(N2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000000757042 536692098 /nfs/dbraw/zinc/69/20/98/536692098.db2.gz FSXZENNDQWXEEB-UHFFFAOYSA-N 1 1 365.521 3.482 50 10 FGCAMO C[C@@H](Cc1ccccn1)[N@@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065419998 136136339 /nfs/dbraw/zinc/13/63/39/136136339.db2.gz VFUPUVFVNFYQLE-INIZCTEOSA-N 1 1 353.466 3.342 50 10 FGCAMO COc1ccc(N2CC[N@H+](Cc3cnc(SC)nc3)CC2(C)C)cc1 ZINC000072161320 136143233 /nfs/dbraw/zinc/14/32/33/136143233.db2.gz OYOHZNVHVWHUTH-UHFFFAOYSA-N 1 1 358.511 3.308 50 10 FGCAMO COc1ccc(N2CC[N@@H+](Cc3cnc(SC)nc3)CC2(C)C)cc1 ZINC000072161320 136143234 /nfs/dbraw/zinc/14/32/34/136143234.db2.gz OYOHZNVHVWHUTH-UHFFFAOYSA-N 1 1 358.511 3.308 50 10 FGCAMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC000248616560 497057822 /nfs/dbraw/zinc/05/78/22/497057822.db2.gz LYKVYTSXMGUOOH-UHOSZYNNSA-N 1 1 359.514 3.488 50 10 FGCAMO C[C@H](Cc1ccccn1)[N@@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065420001 136136343 /nfs/dbraw/zinc/13/63/43/136136343.db2.gz VFUPUVFVNFYQLE-MRXNPFEDSA-N 1 1 353.466 3.342 50 10 FGCAMO COc1ccc(N2CCC[N@@H+](CCOc3ccccc3OC)CC2)cc1 ZINC000052467116 494028157 /nfs/dbraw/zinc/02/81/57/494028157.db2.gz ZDEXUVARCLIYTC-UHFFFAOYSA-N 1 1 356.466 3.295 50 10 FGCAMO O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C[NH+]1CCCCC1 ZINC000013398578 494287331 /nfs/dbraw/zinc/28/73/31/494287331.db2.gz XSRVSRILLFGKDJ-UVTDQMKNSA-N 1 1 363.464 3.239 50 10 FGCAMO C[NH+]1CCN([C@H](c2ccc(Cl)cc2)c2cc3c(cc2O)OCO3)CC1 ZINC000020735773 494480566 /nfs/dbraw/zinc/48/05/66/494480566.db2.gz FUQZAMYSHUCXCK-LJQANCHMSA-N 1 1 360.841 3.111 50 10 FGCAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@H+]3CCCC[C@H]3CO)c2)c1 ZINC000012245107 207351239 /nfs/dbraw/zinc/35/12/39/207351239.db2.gz WNXUJOUJEPVCOP-KRWDZBQOSA-N 1 1 357.450 3.423 50 10 FGCAMO CCOC(=O)N1CC[NH+](Cc2cc3c(cc2O)[nH]c2ccccc23)CC1 ZINC000023818002 211396725 /nfs/dbraw/zinc/39/67/25/211396725.db2.gz IUIDNOOEOJECAI-UHFFFAOYSA-N 1 1 353.422 3.301 50 10 FGCAMO CCCC[N@@H+](C)C[C@H]1C(=O)N(Cc2ccccc2)N[C@@H]1c1ccccc1O ZINC000248237527 496975044 /nfs/dbraw/zinc/97/50/44/496975044.db2.gz NBKOOOMGVDBCEM-TZIWHRDSSA-N 1 1 367.493 3.328 50 10 FGCAMO COc1cccc(C[N@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)c1O ZINC000023360926 211384923 /nfs/dbraw/zinc/38/49/23/211384923.db2.gz XDDGCTMWRQZZFA-FQEVSTJZSA-N 1 1 352.478 3.424 50 10 FGCAMO COc1cccc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c1O ZINC000023360926 211384926 /nfs/dbraw/zinc/38/49/26/211384926.db2.gz XDDGCTMWRQZZFA-FQEVSTJZSA-N 1 1 352.478 3.424 50 10 FGCAMO COc1cccc(CN2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)c1O ZINC000023360926 211384929 /nfs/dbraw/zinc/38/49/29/211384929.db2.gz XDDGCTMWRQZZFA-FQEVSTJZSA-N 1 1 352.478 3.424 50 10 FGCAMO CC1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(N(C)C)cc2)C3)CC1 ZINC000021640187 211319404 /nfs/dbraw/zinc/31/94/04/211319404.db2.gz XUOPXXQTQWROSJ-UHFFFAOYSA-N 1 1 365.525 3.337 50 10 FGCAMO CC1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(N(C)C)cc2)C3)CC1 ZINC000021640187 211319409 /nfs/dbraw/zinc/31/94/09/211319409.db2.gz XUOPXXQTQWROSJ-UHFFFAOYSA-N 1 1 365.525 3.337 50 10 FGCAMO C[NH+]1CCN([C@@H](c2ccc(Cl)cc2)c2cc3c(cc2O)OCO3)CC1 ZINC000020735769 211296011 /nfs/dbraw/zinc/29/60/11/211296011.db2.gz FUQZAMYSHUCXCK-IBGZPJMESA-N 1 1 360.841 3.111 50 10 FGCAMO O=C1CN(c2ccc(C[N@H+]3CCCCC[C@@H]3c3ccncc3)cc2)CCN1 ZINC000095982228 132216422 /nfs/dbraw/zinc/21/64/22/132216422.db2.gz KOYZJGJXPMATNK-OAQYLSRUSA-N 1 1 364.493 3.135 50 10 FGCAMO CCOC(=O)c1c(C)n(C)c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c21 ZINC000075567735 494796702 /nfs/dbraw/zinc/79/67/02/494796702.db2.gz QHLBRPIJWVWRGM-UHFFFAOYSA-N 1 1 367.449 3.493 50 10 FGCAMO CC(C)Cc1noc([C@@H](C)[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)n1 ZINC000067692473 221272682 /nfs/dbraw/zinc/27/26/82/221272682.db2.gz YQMOBRVKTHTSRY-CQSZACIVSA-N 1 1 372.469 3.316 50 10 FGCAMO Oc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(-n2ccnc2)cc1 ZINC000072433754 494174165 /nfs/dbraw/zinc/17/41/65/494174165.db2.gz OTYXHESDYNMRDP-QFIPXVFZSA-N 1 1 371.444 3.449 50 10 FGCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC)c2O)N3)C1 ZINC000004556323 493882576 /nfs/dbraw/zinc/88/25/76/493882576.db2.gz LWUZERAPMGQMGU-INIZCTEOSA-N 1 1 359.451 3.269 50 10 FGCAMO CCOc1ccc(N2CC[NH+](CCNC(=O)Nc3ccccc3)CC2)cc1 ZINC000016475631 494392427 /nfs/dbraw/zinc/39/24/27/494392427.db2.gz ZLZPVPWVEGFZDI-UHFFFAOYSA-N 1 1 368.481 3.029 50 10 FGCAMO Nc1ccc(CC(=O)NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000670458000 571355372 /nfs/dbraw/zinc/35/53/72/571355372.db2.gz BJOBXJVVKNPYSO-OAQYLSRUSA-N 1 1 351.494 3.372 50 10 FGCAMO COc1cccc(C[N@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)c1O ZINC000023360924 211384948 /nfs/dbraw/zinc/38/49/48/211384948.db2.gz XDDGCTMWRQZZFA-HXUWFJFHSA-N 1 1 352.478 3.424 50 10 FGCAMO COc1cccc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c1O ZINC000023360924 211384952 /nfs/dbraw/zinc/38/49/52/211384952.db2.gz XDDGCTMWRQZZFA-HXUWFJFHSA-N 1 1 352.478 3.424 50 10 FGCAMO COc1cccc(CN2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1O ZINC000023360924 211384955 /nfs/dbraw/zinc/38/49/55/211384955.db2.gz XDDGCTMWRQZZFA-HXUWFJFHSA-N 1 1 352.478 3.424 50 10 FGCAMO Oc1cc2c(cc1C[NH+]1CCN(Cc3cccc(Cl)c3)CC1)OCO2 ZINC000022815397 211365149 /nfs/dbraw/zinc/36/51/49/211365149.db2.gz GSRTYGBLZMVFAY-UHFFFAOYSA-N 1 1 360.841 3.092 50 10 FGCAMO Cc1c(O)c(C[NH2+]Cc2ccncc2)cc2c3c(c(=O)oc12)CCCC3 ZINC000008915125 494108675 /nfs/dbraw/zinc/10/86/75/494108675.db2.gz BILVTNMPQKPUDN-UHFFFAOYSA-N 1 1 350.418 3.371 50 10 FGCAMO OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1C1CCCCC1 ZINC000020994692 211301896 /nfs/dbraw/zinc/30/18/96/211301896.db2.gz JYWQRGRLPJNWIX-GOSISDBHSA-N 1 1 352.906 3.247 50 10 FGCAMO COc1ccc(N2CC[N@@H+](Cc3ccc(N(C)C)nc3)CC2(C)C)cc1 ZINC000072166090 136143503 /nfs/dbraw/zinc/14/35/03/136143503.db2.gz VUGMSKBMCQYVQP-UHFFFAOYSA-N 1 1 354.498 3.257 50 10 FGCAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2c(O)ccc4ccccc42)N3)C1 ZINC000004832511 493895064 /nfs/dbraw/zinc/89/50/64/493895064.db2.gz UBOSRLIIGDVAMP-SFHVURJKSA-N 1 1 365.458 3.449 50 10 FGCAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2c(O)ccc4ccccc42)N3)C1 ZINC000004832511 493895067 /nfs/dbraw/zinc/89/50/67/493895067.db2.gz UBOSRLIIGDVAMP-SFHVURJKSA-N 1 1 365.458 3.449 50 10 FGCAMO COc1ccc(N2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@H](C)C2)cc1 ZINC000072125370 136142103 /nfs/dbraw/zinc/14/21/03/136142103.db2.gz AKGUTZOSYGOTPT-OAHLLOKOSA-N 1 1 352.438 3.389 50 10 FGCAMO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)CC1 ZINC000023373023 136152763 /nfs/dbraw/zinc/15/27/63/136152763.db2.gz HRJFUTJVBHPAMT-NRFANRHFSA-N 1 1 365.521 3.487 50 10 FGCAMO OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000095499210 494980456 /nfs/dbraw/zinc/98/04/56/494980456.db2.gz DQKZFFAHBFWPML-IBGZPJMESA-N 1 1 360.885 3.114 50 10 FGCAMO CN(C)c1ccc([C@@H](CNC(=O)C2CC2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349251 494074972 /nfs/dbraw/zinc/07/49/72/494074972.db2.gz ZPCMXGZVJYXJFV-JOCHJYFZSA-N 1 1 363.505 3.378 50 10 FGCAMO OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1Cc1ccccc1 ZINC000023153491 494553520 /nfs/dbraw/zinc/55/35/20/494553520.db2.gz DQKZFFAHBFWPML-LJQANCHMSA-N 1 1 360.885 3.114 50 10 FGCAMO NC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC000014075680 220103927 /nfs/dbraw/zinc/10/39/27/220103927.db2.gz MVAJTIJLBTWYGB-OAHLLOKOSA-N 1 1 363.255 3.148 50 10 FGCAMO COc1cccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccn3)no2)c1O ZINC000065501951 221226933 /nfs/dbraw/zinc/22/69/33/221226933.db2.gz INFDFFVKQQNKIW-OAHLLOKOSA-N 1 1 352.394 3.183 50 10 FGCAMO C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000056269781 136127679 /nfs/dbraw/zinc/12/76/79/136127679.db2.gz WHEORVAOLIHQDQ-PMGBHYCQSA-N 1 1 357.429 3.061 50 10 FGCAMO CC[NH+]1CCN(C(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)CC1 ZINC000006877917 493984529 /nfs/dbraw/zinc/98/45/29/493984529.db2.gz GGWPNTWWEMTUBK-UHFFFAOYSA-N 1 1 351.494 3.442 50 10 FGCAMO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000008185504 494075189 /nfs/dbraw/zinc/07/51/89/494075189.db2.gz OLCPAVYBUFBABK-UHFFFAOYSA-N 1 1 371.433 3.477 50 10 FGCAMO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000008185504 494075193 /nfs/dbraw/zinc/07/51/93/494075193.db2.gz OLCPAVYBUFBABK-UHFFFAOYSA-N 1 1 371.433 3.477 50 10 FGCAMO COc1ccc(N2CC[N@H+](Cc3ccc4nsnc4c3)[C@H](C)C2)cc1 ZINC000072157180 136143033 /nfs/dbraw/zinc/14/30/33/136143033.db2.gz CSVGMTNRXHIILJ-CQSZACIVSA-N 1 1 354.479 3.411 50 10 FGCAMO COc1ccc(N2CC[N@@H+](Cc3ccc4nsnc4c3)[C@H](C)C2)cc1 ZINC000072157180 136143034 /nfs/dbraw/zinc/14/30/34/136143034.db2.gz CSVGMTNRXHIILJ-CQSZACIVSA-N 1 1 354.479 3.411 50 10 FGCAMO CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CC[N@H+](C)[C@H](C)C3)cc2)c1C ZINC000216978422 496993548 /nfs/dbraw/zinc/99/35/48/496993548.db2.gz JLTXBNWRBXPWOZ-OAHLLOKOSA-N 1 1 353.466 3.073 50 10 FGCAMO CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)cc2)c1C ZINC000216978422 496993552 /nfs/dbraw/zinc/99/35/52/496993552.db2.gz JLTXBNWRBXPWOZ-OAHLLOKOSA-N 1 1 353.466 3.073 50 10 FGCAMO CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349272 494074817 /nfs/dbraw/zinc/07/48/17/494074817.db2.gz NXTDBTVMLXDOPB-OAQYLSRUSA-N 1 1 351.494 3.378 50 10 FGCAMO CCNc1cc(N2CC[NH+](C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737969 493977130 /nfs/dbraw/zinc/97/71/30/493977130.db2.gz XKCVLIQCOHGREZ-UHFFFAOYSA-N 1 1 362.433 3.223 50 10 FGCAMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccncc21 ZINC000012561932 494242711 /nfs/dbraw/zinc/24/27/11/494242711.db2.gz PLGKXTWBKUWEQE-UHFFFAOYSA-N 1 1 363.461 3.409 50 10 FGCAMO O=C(C[NH+]1CCCC1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O ZINC000010433970 494153060 /nfs/dbraw/zinc/15/30/60/494153060.db2.gz JKUWEOLWZINSFD-INIZCTEOSA-N 1 1 355.463 3.227 50 10 FGCAMO CC[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCC(=O)N1Cc1ccccc1 ZINC000071711879 221354593 /nfs/dbraw/zinc/35/45/93/221354593.db2.gz IVMLYVBPIWTADS-GOSISDBHSA-N 1 1 354.450 3.111 50 10 FGCAMO CC[C@@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCC(=O)N1Cc1ccccc1 ZINC000071711879 221354595 /nfs/dbraw/zinc/35/45/95/221354595.db2.gz IVMLYVBPIWTADS-GOSISDBHSA-N 1 1 354.450 3.111 50 10 FGCAMO COc1ccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000016662729 494398804 /nfs/dbraw/zinc/39/88/04/494398804.db2.gz DOVRFJIUIPHMFJ-GQCTYLIASA-N 1 1 353.422 3.439 50 10 FGCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc(C)o4)C3)CC2)cc1 ZINC000019791248 524431415 /nfs/dbraw/zinc/43/14/15/524431415.db2.gz DXBGZNCVNVHPER-HXUWFJFHSA-N 1 1 369.509 3.383 50 10 FGCAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(C)o4)C3)CC2)cc1 ZINC000019791248 524431418 /nfs/dbraw/zinc/43/14/18/524431418.db2.gz DXBGZNCVNVHPER-HXUWFJFHSA-N 1 1 369.509 3.383 50 10 FGCAMO CCOC(=O)C1CC[NH+](Cc2c(O)c(CC)cc3c(C)cc(=O)oc32)CC1 ZINC000006998149 204286067 /nfs/dbraw/zinc/28/60/67/204286067.db2.gz PTBIKEDDNRJASR-UHFFFAOYSA-N 1 1 373.449 3.145 50 10 FGCAMO CN1CCCc2cc(C[N@H+](C)Cc3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000065371782 205342281 /nfs/dbraw/zinc/34/22/81/205342281.db2.gz RZOVUSGTVMRKMO-UHFFFAOYSA-N 1 1 358.507 3.105 50 10 FGCAMO CN1CCCc2cc(C[N@@H+](C)Cc3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000065371782 205342284 /nfs/dbraw/zinc/34/22/84/205342284.db2.gz RZOVUSGTVMRKMO-UHFFFAOYSA-N 1 1 358.507 3.105 50 10 FGCAMO COc1cccc(O)c1C[N@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000067842498 205396090 /nfs/dbraw/zinc/39/60/90/205396090.db2.gz QGBUXJIFJLPFCI-UHFFFAOYSA-N 1 1 353.397 3.488 50 10 FGCAMO CCOc1ccc(C[N@H+]2CCN(c3ccc(OC)cc3)C[C@H]2C)cc1CO ZINC000244773738 520974164 /nfs/dbraw/zinc/97/41/64/520974164.db2.gz PFOPRRVORIZMSL-QGZVFWFLSA-N 1 1 370.493 3.297 50 10 FGCAMO COc1ccc(N2CCN(C(=O)CCCn3cc[nH+]c3C)CC2(C)C)cc1 ZINC000095384309 536679666 /nfs/dbraw/zinc/67/96/66/536679666.db2.gz FKWOFVHCWPHMIH-UHFFFAOYSA-N 1 1 370.497 3.108 50 10 FGCAMO CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC000184240871 206317421 /nfs/dbraw/zinc/31/74/21/206317421.db2.gz LYKVYTSXMGUOOH-WDSOQIARSA-N 1 1 359.514 3.488 50 10 FGCAMO CCCC[N@@H+](C)C[C@@H]1C(=O)N(Cc2ccccc2)N[C@H]1c1ccccc1O ZINC000048547492 493836779 /nfs/dbraw/zinc/83/67/79/493836779.db2.gz NBKOOOMGVDBCEM-FPOVZHCZSA-N 1 1 367.493 3.328 50 10 FGCAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)NCc1ccc(N2CCCC2)cc1 ZINC000069897243 494025845 /nfs/dbraw/zinc/02/58/45/494025845.db2.gz YQMHSVMXHCEVOE-NRFANRHFSA-N 1 1 363.505 3.393 50 10 FGCAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2O)N3)C1 ZINC000006358285 204246199 /nfs/dbraw/zinc/24/61/99/204246199.db2.gz NFHHWKGVOMYELI-MRXNPFEDSA-N 1 1 359.451 3.355 50 10 FGCAMO Cc1ccc2c(c1)[C@H](N1CC[NH+](CCO)CC1)Cc1ccc(F)cc1S2 ZINC000071404353 494091819 /nfs/dbraw/zinc/09/18/19/494091819.db2.gz NGEOXZLKAAJWOG-LJQANCHMSA-N 1 1 372.509 3.492 50 10 FGCAMO COc1ccc2ccc(O)c(C[NH+]3CCN(C(=O)c4ccco4)CC3)c2c1 ZINC000095464575 494977943 /nfs/dbraw/zinc/97/79/43/494977943.db2.gz IBCLFCLAJMJMIY-UHFFFAOYSA-N 1 1 366.417 3.105 50 10 FGCAMO COc1ccc(C(=O)CC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000052537686 536682992 /nfs/dbraw/zinc/68/29/92/536682992.db2.gz IZZJKJQJKVPUGS-UHFFFAOYSA-N 1 1 354.450 3.099 50 10 FGCAMO C[C@H](NC(=O)/C=C\c1ccco1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000098055218 132231533 /nfs/dbraw/zinc/23/15/33/132231533.db2.gz WHEORVAOLIHQDQ-LYASGUKUSA-N 1 1 357.429 3.061 50 10 FGCAMO COc1ccc(N2CC[NH+](Cc3cc(=O)oc4ccc(C)cc34)CC2)cc1 ZINC000054105892 132376084 /nfs/dbraw/zinc/37/60/84/132376084.db2.gz GQVOIJALBXYCPR-UHFFFAOYSA-N 1 1 364.445 3.432 50 10 aggregator FGCAMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC3(C1)CCCCCC3)cc2=O ZINC000079024448 494393770 /nfs/dbraw/zinc/39/37/70/494393770.db2.gz CQORWGHWWNPHSN-UHFFFAOYSA-N 1 1 372.469 3.158 50 10 FGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)c1 ZINC000020601846 494476863 /nfs/dbraw/zinc/47/68/63/494476863.db2.gz PENRQOGHLCRUNW-FQEVSTJZSA-N 1 1 352.478 3.424 50 10 FGCAMO COc1ccc(O)c(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000020601846 494476864 /nfs/dbraw/zinc/47/68/64/494476864.db2.gz PENRQOGHLCRUNW-FQEVSTJZSA-N 1 1 352.478 3.424 50 10 FGCAMO COc1ccc(O)c(CN2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000020601846 494476865 /nfs/dbraw/zinc/47/68/65/494476865.db2.gz PENRQOGHLCRUNW-FQEVSTJZSA-N 1 1 352.478 3.424 50 10 FGCAMO Oc1ccccc1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000020996841 494485255 /nfs/dbraw/zinc/48/52/55/494485255.db2.gz PBKOEISOYGMITL-LJQANCHMSA-N 1 1 369.484 3.318 50 10 FGCAMO CCCC[N@@H+](C)C[C@H]1C(=O)N(Cc2ccccc2)N[C@H]1c1ccccc1O ZINC000048547490 493836381 /nfs/dbraw/zinc/83/63/81/493836381.db2.gz NBKOOOMGVDBCEM-CTNGQTDRSA-N 1 1 367.493 3.328 50 10 FGCAMO CN(C)c1ccc(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000029502627 493841246 /nfs/dbraw/zinc/84/12/46/493841246.db2.gz HSIZVUKYXUQSBO-UHFFFAOYSA-N 1 1 366.425 3.009 50 10 FGCAMO CN(C)c1ccc(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000029502627 493841250 /nfs/dbraw/zinc/84/12/50/493841250.db2.gz HSIZVUKYXUQSBO-UHFFFAOYSA-N 1 1 366.425 3.009 50 10 FGCAMO O=C1CN(c2ccc(C[N@H+]3CCCCC[C@H]3c3ccncc3)cc2)CCN1 ZINC000095982229 132216383 /nfs/dbraw/zinc/21/63/83/132216383.db2.gz KOYZJGJXPMATNK-NRFANRHFSA-N 1 1 364.493 3.135 50 10 FGCAMO CNC(=O)C1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 ZINC000012640313 494248252 /nfs/dbraw/zinc/24/82/52/494248252.db2.gz QQWRGXKQURYZNX-UHFFFAOYSA-N 1 1 367.493 3.043 50 10 FGCAMO COc1cccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccn3)no2)c1O ZINC000065501955 494205519 /nfs/dbraw/zinc/20/55/19/494205519.db2.gz INFDFFVKQQNKIW-HNNXBMFYSA-N 1 1 352.394 3.183 50 10 FGCAMO CCOc1cccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)c1O ZINC000020210263 494469632 /nfs/dbraw/zinc/46/96/32/494469632.db2.gz LWLYEYHDWTZOOH-UHFFFAOYSA-N 1 1 364.449 3.108 50 10 FGCAMO CN(C)CC[N@H+](Cc1ccccc1)Cc1cc(-c2cncnc2)ccc1O ZINC000023362805 494563335 /nfs/dbraw/zinc/56/33/35/494563335.db2.gz SKAXKCYKMKITCT-UHFFFAOYSA-N 1 1 362.477 3.413 50 10 FGCAMO CN(C)CC[N@@H+](Cc1ccccc1)Cc1cc(-c2cncnc2)ccc1O ZINC000023362805 494563340 /nfs/dbraw/zinc/56/33/40/494563340.db2.gz SKAXKCYKMKITCT-UHFFFAOYSA-N 1 1 362.477 3.413 50 10 FGCAMO CN(C)c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000058165453 493829461 /nfs/dbraw/zinc/82/94/61/493829461.db2.gz ZTLSAUJXIFCPGE-UHFFFAOYSA-N 1 1 368.481 3.415 50 10 FGCAMO CN(C)c1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OCC3)cc1 ZINC000001298597 209387616 /nfs/dbraw/zinc/38/76/16/209387616.db2.gz GJJAICDPYFDTSE-FQEVSTJZSA-N 1 1 359.433 3.206 50 10 FGCAMO COc1ccc(N2CC[N@H+](Cc3ccc4nsnc4c3)[C@@H](C)C2)cc1 ZINC000072157181 136143103 /nfs/dbraw/zinc/14/31/03/136143103.db2.gz CSVGMTNRXHIILJ-AWEZNQCLSA-N 1 1 354.479 3.411 50 10 FGCAMO COc1ccc(N2CC[N@@H+](Cc3ccc4nsnc4c3)[C@@H](C)C2)cc1 ZINC000072157181 136143104 /nfs/dbraw/zinc/14/31/04/136143104.db2.gz CSVGMTNRXHIILJ-AWEZNQCLSA-N 1 1 354.479 3.411 50 10 FGCAMO O=C1c2ccccc2[N+](=O)C1c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000003844996 493858014 /nfs/dbraw/zinc/85/80/14/493858014.db2.gz UNSAEIUDSAXQJP-UHFFFAOYSA-N 1 1 353.333 3.289 50 10 FGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)c1 ZINC000020601845 494477396 /nfs/dbraw/zinc/47/73/96/494477396.db2.gz PENRQOGHLCRUNW-HXUWFJFHSA-N 1 1 352.478 3.424 50 10 FGCAMO COc1ccc(O)c(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000020601845 494477400 /nfs/dbraw/zinc/47/74/00/494477400.db2.gz PENRQOGHLCRUNW-HXUWFJFHSA-N 1 1 352.478 3.424 50 10 FGCAMO COc1ccc(O)c(CN2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c1 ZINC000020601845 494477404 /nfs/dbraw/zinc/47/74/04/494477404.db2.gz PENRQOGHLCRUNW-HXUWFJFHSA-N 1 1 352.478 3.424 50 10 FGCAMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1O ZINC000058174858 493830281 /nfs/dbraw/zinc/83/02/81/493830281.db2.gz HTUSXTQICBHDCR-UHFFFAOYSA-N 1 1 373.409 3.160 50 10 FGCAMO CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349271 494075121 /nfs/dbraw/zinc/07/51/21/494075121.db2.gz NXTDBTVMLXDOPB-NRFANRHFSA-N 1 1 351.494 3.378 50 10 FGCAMO COc1ccc(N2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@@H](C)C2)cc1 ZINC000072125371 136142234 /nfs/dbraw/zinc/14/22/34/136142234.db2.gz AKGUTZOSYGOTPT-HNNXBMFYSA-N 1 1 352.438 3.389 50 10 FGCAMO O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1C[NH+]1CCCCC1 ZINC000021964718 494512437 /nfs/dbraw/zinc/51/24/37/494512437.db2.gz XSRVSRILLFGKDJ-GXDHUFHOSA-N 1 1 363.464 3.239 50 10 FGCAMO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cc(OC)c1 ZINC000058330146 136131575 /nfs/dbraw/zinc/13/15/75/136131575.db2.gz MUIQLADZWPDQOL-KRWDZBQOSA-N 1 1 369.509 3.306 50 10 FGCAMO Cc1ccc2c(c1)[C@@H](N1CC[NH+](CCO)CC1)Cc1ccc(F)cc1S2 ZINC000071404354 494092148 /nfs/dbraw/zinc/09/21/48/494092148.db2.gz NGEOXZLKAAJWOG-IBGZPJMESA-N 1 1 372.509 3.492 50 10 FGCAMO O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1C[NH+]1CCCCC1 ZINC000038205253 494112789 /nfs/dbraw/zinc/11/27/89/494112789.db2.gz VCBPNCFLAWVKPC-UVTDQMKNSA-N 1 1 363.464 3.239 50 10 FGCAMO O=C(C[NH+]1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O ZINC000010433974 494152936 /nfs/dbraw/zinc/15/29/36/494152936.db2.gz JKUWEOLWZINSFD-MRXNPFEDSA-N 1 1 355.463 3.227 50 10 FGCAMO COc1cc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)ccc1OC(F)F ZINC000008072549 207218917 /nfs/dbraw/zinc/21/89/17/207218917.db2.gz KQXMXUKDADUGSV-UHFFFAOYSA-N 1 1 367.348 3.363 50 10 FGCAMO C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000056269778 136127628 /nfs/dbraw/zinc/12/76/28/136127628.db2.gz WHEORVAOLIHQDQ-VFADXPBXSA-N 1 1 357.429 3.061 50 10 FGCAMO COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)c1 ZINC000000722190 493771427 /nfs/dbraw/zinc/77/14/27/493771427.db2.gz VRVWZVKLZZGFET-UHFFFAOYSA-N 1 1 355.390 3.448 50 10 in-vitro FGCAMO Oc1ccccc1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000020996843 494485296 /nfs/dbraw/zinc/48/52/96/494485296.db2.gz PBKOEISOYGMITL-IBGZPJMESA-N 1 1 369.484 3.318 50 10 FGCAMO CCOC(=O)c1ccc(OCc2noc3c2ccc(O)c3C[NH+](C)C)cc1 ZINC000032501412 210246200 /nfs/dbraw/zinc/24/62/00/210246200.db2.gz LFLDOZIRNZITHX-UHFFFAOYSA-N 1 1 370.405 3.351 50 10 FGCAMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000001193359 210333961 /nfs/dbraw/zinc/33/39/61/210333961.db2.gz ZNTCWSXJLCXLJA-MOPGFXCFSA-N 1 1 351.494 3.314 50 10 FGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000011813034 494191197 /nfs/dbraw/zinc/19/11/97/494191197.db2.gz WAFXIASSCDLPRX-OAQYLSRUSA-N 1 1 359.441 3.357 50 10 FGCAMO COc1cccc(C[N@H+]2CCC[C@H](c3nc(-c4cccnc4)no3)C2)c1O ZINC000065492568 221225566 /nfs/dbraw/zinc/22/55/66/221225566.db2.gz MNQJHIQCWFDJAZ-INIZCTEOSA-N 1 1 366.421 3.225 50 10 FGCAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(O)ccc4ccccc42)N3)C1 ZINC000004832512 493894853 /nfs/dbraw/zinc/89/48/53/493894853.db2.gz UBOSRLIIGDVAMP-GOSISDBHSA-N 1 1 365.458 3.449 50 10 FGCAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(O)ccc4ccccc42)N3)C1 ZINC000004832512 493894855 /nfs/dbraw/zinc/89/48/55/493894855.db2.gz UBOSRLIIGDVAMP-GOSISDBHSA-N 1 1 365.458 3.449 50 10 FGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000011813033 494191446 /nfs/dbraw/zinc/19/14/46/494191446.db2.gz WAFXIASSCDLPRX-NRFANRHFSA-N 1 1 359.441 3.357 50 10 FGCAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3O)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095383069 494970457 /nfs/dbraw/zinc/97/04/57/494970457.db2.gz DHSDIDAHRMMHCY-MDNUFGMLSA-N 1 1 364.489 3.463 50 10 FGCAMO C[C@@H](NC(=O)/C=C\c1ccco1)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000098055219 132231482 /nfs/dbraw/zinc/23/14/82/132231482.db2.gz WHEORVAOLIHQDQ-DDJMYBDESA-N 1 1 357.429 3.061 50 10 FGCAMO COc1cc(O)c(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1OC ZINC000089350773 522773724 /nfs/dbraw/zinc/77/37/24/522773724.db2.gz YBWZKEAGXQUYBZ-UHFFFAOYSA-N 1 1 353.422 3.227 50 10 FGCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc(C)o4)C3)CC2)cc1 ZINC000019791249 524434660 /nfs/dbraw/zinc/43/46/60/524434660.db2.gz DXBGZNCVNVHPER-FQEVSTJZSA-N 1 1 369.509 3.383 50 10 FGCAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(C)o4)C3)CC2)cc1 ZINC000019791249 524434668 /nfs/dbraw/zinc/43/46/68/524434668.db2.gz DXBGZNCVNVHPER-FQEVSTJZSA-N 1 1 369.509 3.383 50 10 FGCAMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1ccsc1)cc2=O ZINC000048249388 570937876 /nfs/dbraw/zinc/93/78/76/570937876.db2.gz DXMMMZOQOXANDX-HNNXBMFYSA-N 1 1 372.450 3.010 50 10 FGCAMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC000014075678 211069619 /nfs/dbraw/zinc/06/96/19/211069619.db2.gz MVAJTIJLBTWYGB-HNNXBMFYSA-N 1 1 363.255 3.148 50 10 FGCAMO CCOc1ccc(C[N@H+]2CCN(c3ccc(OC)cc3)C[C@@H]2C)cc1CO ZINC000072147092 136142676 /nfs/dbraw/zinc/14/26/76/136142676.db2.gz PFOPRRVORIZMSL-KRWDZBQOSA-N 1 1 370.493 3.297 50 10 FGCAMO COc1ccc(N2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000000752479 132378307 /nfs/dbraw/zinc/37/83/07/132378307.db2.gz KMLFOAXUFSBRHD-UHFFFAOYSA-N 1 1 372.465 3.043 50 10 FGCAMO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc(Cl)cc3)CC1)OCO2 ZINC000032751626 494012478 /nfs/dbraw/zinc/01/24/78/494012478.db2.gz SDAYBZKCCFUISK-UHFFFAOYSA-N 1 1 360.841 3.092 50 10 FGCAMO COCc1cc(C[NH2+]Cc2csc(-c3cnccn3)n2)ccc1OC ZINC000952991744 762541418 /nfs/dbraw/zinc/54/14/18/762541418.db2.gz UYSWUARNSZXUNG-UHFFFAOYSA-N 1 1 356.451 3.045 50 10 FGCAMO CC(=O)N1CC[NH+](Cc2cc(-c3nc4ccccc4s3)ccc2O)CC1 ZINC000020911712 211299435 /nfs/dbraw/zinc/29/94/35/211299435.db2.gz CRPGCEVHLVRCOC-UHFFFAOYSA-N 1 1 367.474 3.333 50 10 FGCAMO CCCCn1c(C)c(C(=O)OCC)c2c1ccc(O)c2C[NH+]1CCOCC1 ZINC000019881326 211258498 /nfs/dbraw/zinc/25/84/98/211258498.db2.gz LTXPBGBIDBMBJM-UHFFFAOYSA-N 1 1 374.481 3.464 50 10 FGCAMO CCOc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000006784197 493979570 /nfs/dbraw/zinc/97/95/70/493979570.db2.gz XRFPOESYOPYPRP-INIZCTEOSA-N 1 1 359.451 3.269 50 10 FGCAMO CCOc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000006784197 493979574 /nfs/dbraw/zinc/97/95/74/493979574.db2.gz XRFPOESYOPYPRP-INIZCTEOSA-N 1 1 359.451 3.269 50 10 FGCAMO COC(=O)Cc1c(C)c2cc(C[NH2+]C3CCCCC3)c(O)c(C)c2oc1=O ZINC000012390837 494228593 /nfs/dbraw/zinc/22/85/93/494228593.db2.gz ISPNWFPFYKAITM-UHFFFAOYSA-N 1 1 373.449 3.253 50 10 FGCAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)NCc1ccc(N2CCCC2)cc1 ZINC000069897239 221328693 /nfs/dbraw/zinc/32/86/93/221328693.db2.gz YQMHSVMXHCEVOE-OAQYLSRUSA-N 1 1 363.505 3.393 50 10 FGCAMO CCOc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)c1O ZINC000006891469 493985021 /nfs/dbraw/zinc/98/50/21/493985021.db2.gz ALTPWJXUMZAQDE-QGZVFWFLSA-N 1 1 373.478 3.085 50 10 FGCAMO Nc1ccc(CC(=O)NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000670457999 571355363 /nfs/dbraw/zinc/35/53/63/571355363.db2.gz BJOBXJVVKNPYSO-NRFANRHFSA-N 1 1 351.494 3.372 50 10 FGCAMO O=C(c1ccco1)N1CC[NH+](Cc2cc(-c3cccnc3)ccc2O)CC1 ZINC000299783920 223094708 /nfs/dbraw/zinc/09/47/08/223094708.db2.gz VQVRSKXROSXSTD-UHFFFAOYSA-N 1 1 363.417 3.005 50 10 FGCAMO COc1ccc(N2CC[NH+](Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 ZINC000054105889 132376129 /nfs/dbraw/zinc/37/61/29/132376129.db2.gz FTUWCQPJUQDEDM-UHFFFAOYSA-N 1 1 364.445 3.432 50 10 FGCAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2O)N3)C1 ZINC000006358283 493961220 /nfs/dbraw/zinc/96/12/20/493961220.db2.gz NFHHWKGVOMYELI-INIZCTEOSA-N 1 1 359.451 3.355 50 10 FGCAMO OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1C1CCCCC1 ZINC000020994695 220347831 /nfs/dbraw/zinc/34/78/31/220347831.db2.gz JYWQRGRLPJNWIX-SFHVURJKSA-N 1 1 352.906 3.247 50 10 FGCAMO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(C)c3OC)CC2)cc1 ZINC000001227039 132381310 /nfs/dbraw/zinc/38/13/10/132381310.db2.gz KGFDDJAZDJLWLH-UHFFFAOYSA-N 1 1 356.466 3.343 50 10 FGCAMO CCOc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)c1O ZINC000006891464 493984986 /nfs/dbraw/zinc/98/49/86/493984986.db2.gz ALTPWJXUMZAQDE-KRWDZBQOSA-N 1 1 373.478 3.085 50 10 FGCAMO CC[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCC(=O)N1Cc1ccccc1 ZINC000071711880 221354583 /nfs/dbraw/zinc/35/45/83/221354583.db2.gz IVMLYVBPIWTADS-SFHVURJKSA-N 1 1 354.450 3.111 50 10 FGCAMO CC[C@H]1C[N@@H+](Cc2ccc(O)c(O)c2)CCC(=O)N1Cc1ccccc1 ZINC000071711880 221354586 /nfs/dbraw/zinc/35/45/86/221354586.db2.gz IVMLYVBPIWTADS-SFHVURJKSA-N 1 1 354.450 3.111 50 10 FGCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC)c2O)N3)C1 ZINC000004556324 493882725 /nfs/dbraw/zinc/88/27/25/493882725.db2.gz LWUZERAPMGQMGU-MRXNPFEDSA-N 1 1 359.451 3.269 50 10 FGCAMO CN(C)c1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OCC3)cc1 ZINC000001298598 219393468 /nfs/dbraw/zinc/39/34/68/219393468.db2.gz GJJAICDPYFDTSE-HXUWFJFHSA-N 1 1 359.433 3.206 50 10 FGCAMO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc(Cl)s3)CC1)OCO2 ZINC000022782826 220399233 /nfs/dbraw/zinc/39/92/33/220399233.db2.gz KRGAHIYHBYRDAN-UHFFFAOYSA-N 1 1 366.870 3.154 50 10 FGCAMO O=C1CC[C@@]2(CCC[N@H+](Cc3ccccc3O)C2)CN1Cc1ccncc1 ZINC000072474842 494180513 /nfs/dbraw/zinc/18/05/13/494180513.db2.gz REWBIKNMJDQBAX-JOCHJYFZSA-N 1 1 365.477 3.192 50 10 FGCAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000012298860 494220357 /nfs/dbraw/zinc/22/03/57/494220357.db2.gz SJTBVMMPYGIAGM-GOSISDBHSA-N 1 1 355.862 3.227 50 10 FGCAMO OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1Cc1cccs1 ZINC000096753150 222129225 /nfs/dbraw/zinc/12/92/25/222129225.db2.gz KLFVBUHQWMPIFU-INIZCTEOSA-N 1 1 366.914 3.176 50 10 FGCAMO OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1Cc1cccs1 ZINC000096753150 222129227 /nfs/dbraw/zinc/12/92/27/222129227.db2.gz KLFVBUHQWMPIFU-INIZCTEOSA-N 1 1 366.914 3.176 50 10 FGCAMO CCC(CC)NC(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000076089716 493819900 /nfs/dbraw/zinc/81/99/00/493819900.db2.gz ZLMGUSWFCINLJT-UHFFFAOYSA-N 1 1 357.292 3.281 50 10 FGCAMO Oc1ccccc1C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(-n2ccnc2)cc1 ZINC000072433755 494173457 /nfs/dbraw/zinc/17/34/57/494173457.db2.gz OTYXHESDYNMRDP-JOCHJYFZSA-N 1 1 371.444 3.449 50 10 FGCAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000012298861 494219921 /nfs/dbraw/zinc/21/99/21/494219921.db2.gz SJTBVMMPYGIAGM-SFHVURJKSA-N 1 1 355.862 3.227 50 10 FGCAMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1ccsc1)cc2=O ZINC000048249385 221002960 /nfs/dbraw/zinc/00/29/60/221002960.db2.gz DXMMMZOQOXANDX-OAHLLOKOSA-N 1 1 372.450 3.010 50 10 FGCAMO CC(C)=CCN1CC[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1CCO ZINC000020782726 519428248 /nfs/dbraw/zinc/42/82/48/519428248.db2.gz WKPJCYIJHJJMBN-IBGZPJMESA-N 1 1 354.494 3.380 50 10 FGCAMO