smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C(C)C)[N@H+](Cc1cccc(F)c1)CC2 ZINC000034855755 557477351 /nfs/dbraw/zinc/47/73/51/557477351.db2.gz GSMFCAOVTQWUFI-WAIKUNEKSA-N 1 2 414.521 4.103 10 0 HIAELO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C(C)C)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000034855755 557477354 /nfs/dbraw/zinc/47/73/54/557477354.db2.gz GSMFCAOVTQWUFI-WAIKUNEKSA-N 1 2 414.521 4.103 10 0 HIAELO C[C@H]1S[C@@]2(c3ccccc3N(C[NH+]3CCC(C)CC3)C2=O)N(c2ccccc2)C1=O ZINC000016609276 558796568 /nfs/dbraw/zinc/79/65/68/558796568.db2.gz UTCRHBORNRXUAI-HOYKHHGWSA-N 1 2 421.566 4.044 10 0 HIAELO C[C@@H]1S[C@@]2(c3ccccc3N(C[NH+]3CCC(C)CC3)C2=O)N(c2ccccc2)C1=O ZINC000016609272 558796656 /nfs/dbraw/zinc/79/66/56/558796656.db2.gz UTCRHBORNRXUAI-MHECFPHRSA-N 1 2 421.566 4.044 10 0 HIAELO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C(C)C)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034855751 557477101 /nfs/dbraw/zinc/47/71/01/557477101.db2.gz OXCSTBMTNIMBRJ-MWTRTKDXSA-N 1 2 414.521 4.103 10 0 HIAELO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C(C)C)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034855751 557477104 /nfs/dbraw/zinc/47/71/04/557477104.db2.gz OXCSTBMTNIMBRJ-MWTRTKDXSA-N 1 2 414.521 4.103 10 0 HIAELO CCn1ncc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1C ZINC000012320701 558382579 /nfs/dbraw/zinc/38/25/79/558382579.db2.gz RDOGDCWLHPYONN-QFIPXVFZSA-N 1 2 419.529 4.392 10 0 HIAELO CCn1ncc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1C ZINC000012320701 558382582 /nfs/dbraw/zinc/38/25/82/558382582.db2.gz RDOGDCWLHPYONN-QFIPXVFZSA-N 1 2 419.529 4.392 10 0 HIAELO CC(C)CC(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020464690 568610144 /nfs/dbraw/zinc/61/01/44/568610144.db2.gz FZVZAUYEOUSGIT-UHFFFAOYSA-N 1 2 419.525 4.375 10 0 HIAELO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000006739961 132314358 /nfs/dbraw/zinc/31/43/58/132314358.db2.gz BCLHHSHZHHPFPG-UHFFFAOYSA-N 1 2 406.574 4.222 10 0 HIAELO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C(C)C)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034855750 557477157 /nfs/dbraw/zinc/47/71/57/557477157.db2.gz OXCSTBMTNIMBRJ-HJPURHCSSA-N 1 2 414.521 4.103 10 0 HIAELO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C(C)C)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034855750 557477160 /nfs/dbraw/zinc/47/71/60/557477160.db2.gz OXCSTBMTNIMBRJ-HJPURHCSSA-N 1 2 414.521 4.103 10 0 HIAELO Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)CCC(=O)NCc3ccco3)cc12 ZINC000004881591 132291485 /nfs/dbraw/zinc/29/14/85/132291485.db2.gz IJMAKMZVLIPPNB-UHFFFAOYSA-N 1 2 420.513 4.162 10 0 HIAELO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C(C)C)[N@H+](Cc1cccc(F)c1)CC2 ZINC000034855754 557477255 /nfs/dbraw/zinc/47/72/55/557477255.db2.gz GSMFCAOVTQWUFI-QMHKHESXSA-N 1 2 414.521 4.103 10 0 HIAELO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C(C)C)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000034855754 557477257 /nfs/dbraw/zinc/47/72/57/557477257.db2.gz GSMFCAOVTQWUFI-QMHKHESXSA-N 1 2 414.521 4.103 10 0 HIAELO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000224356005 569059784 /nfs/dbraw/zinc/05/97/84/569059784.db2.gz IYIPFPAEEYZHKR-UHFFFAOYSA-N 1 2 401.514 4.452 10 0 HIAELO Cc1cccn2c(C[N@@H+]3CCC[C@@H]3c3nccs3)c(C(=O)N3CCCCC3)nc12 ZINC000019790928 569429825 /nfs/dbraw/zinc/42/98/25/569429825.db2.gz AEIYXIHOQYGADL-QGZVFWFLSA-N 1 2 409.559 4.062 10 0 HIAELO Cc1cccn2c(C[N@H+]3CCC[C@@H]3c3nccs3)c(C(=O)N3CCCCC3)nc12 ZINC000019790928 569429826 /nfs/dbraw/zinc/42/98/26/569429826.db2.gz AEIYXIHOQYGADL-QGZVFWFLSA-N 1 2 409.559 4.062 10 0 HIAELO CC1=C[C@@H](CNS(=O)(=O)C(C)C)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000072320799 291262660 /nfs/dbraw/zinc/26/26/60/291262660.db2.gz OARLWHMWCGNGRX-FHWLQOOXSA-N 1 2 403.592 4.288 10 0 HIAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccc(I)cc2)c1 ZINC000226259014 569278653 /nfs/dbraw/zinc/27/86/53/569278653.db2.gz JQFUAPKALLBGHC-UHFFFAOYSA-N 1 2 421.282 4.116 10 0 HIAELO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 ZINC000003649835 132267657 /nfs/dbraw/zinc/26/76/57/132267657.db2.gz RZMABJIIBFYCCM-UHFFFAOYSA-N 1 2 411.889 4.051 10 0 HIAELO C[C@H]1CCCC[N@@H+]1CN1c2ccccc2C2(OCC(C)(c3ccccc3)CO2)C1=O ZINC000020569931 526250434 /nfs/dbraw/zinc/25/04/34/526250434.db2.gz NPHMEKFBMIWLEY-CCYWVKEMSA-N 1 2 406.526 4.023 10 0 HIAELO C[C@H]1CCCC[N@H+]1CN1c2ccccc2C2(OCC(C)(c3ccccc3)CO2)C1=O ZINC000020569931 526250438 /nfs/dbraw/zinc/25/04/38/526250438.db2.gz NPHMEKFBMIWLEY-CCYWVKEMSA-N 1 2 406.526 4.023 10 0 HIAELO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC[NH+](Cc2ccon2)CC1 ZINC000020535087 527141763 /nfs/dbraw/zinc/14/17/63/527141763.db2.gz XPVVDRXFRILOIH-UHFFFAOYSA-N 1 2 402.454 4.334 10 0 HIAELO COc1ccc(-c2[nH+]c(C)cc(C)c2CNS(=O)(=O)Cc2cccc(F)c2)cc1 ZINC000065171484 569188772 /nfs/dbraw/zinc/18/87/72/569188772.db2.gz DSELSWPKWFXDST-UHFFFAOYSA-N 1 2 414.502 4.133 10 0 HIAELO COc1ccc(CN(CCCn2cc[nH+]c2)C(=S)Nc2ccc(C(C)=O)cc2)cc1 ZINC000005917104 557680856 /nfs/dbraw/zinc/68/08/56/557680856.db2.gz FFWZAZYSQAJNEZ-UHFFFAOYSA-N 1 2 422.554 4.384 10 0 HIAELO CCn1ncc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1C ZINC000012320700 558382605 /nfs/dbraw/zinc/38/26/05/558382605.db2.gz RDOGDCWLHPYONN-JOCHJYFZSA-N 1 2 419.529 4.392 10 0 HIAELO CCn1ncc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)c1C ZINC000012320700 558382607 /nfs/dbraw/zinc/38/26/07/558382607.db2.gz RDOGDCWLHPYONN-JOCHJYFZSA-N 1 2 419.529 4.392 10 0 HIAELO FC(F)(F)c1cccc(Cc2noc(C[NH+]3CCC(Oc4cccnc4)CC3)n2)c1 ZINC000012318739 558381502 /nfs/dbraw/zinc/38/15/02/558381502.db2.gz CIDVYENYGPVCJH-UHFFFAOYSA-N 1 2 418.419 4.118 10 0 HIAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccccc2I)c1 ZINC000226259213 569278602 /nfs/dbraw/zinc/27/86/02/569278602.db2.gz CUEDQKAUOMKORD-UHFFFAOYSA-N 1 2 421.282 4.116 10 0 HIAELO C[C@@H]1S[C@]2(c3ccccc3N(C[NH+]3CCC(C)CC3)C2=O)N(c2ccccc2)C1=O ZINC000016609269 558796631 /nfs/dbraw/zinc/79/66/31/558796631.db2.gz UTCRHBORNRXUAI-UUOWRZLLSA-N 1 2 421.566 4.044 10 0 HIAELO Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)N4CCOCC4)C=C3C)[nH]c21 ZINC000072320967 291262216 /nfs/dbraw/zinc/26/22/16/291262216.db2.gz LCNKHXFVHFOBSN-ACRUOGEOSA-N 1 2 424.589 4.310 10 0 HIAELO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)N4CCOCC4)C=C3C)[nH+]c21 ZINC000072320967 291262219 /nfs/dbraw/zinc/26/22/19/291262219.db2.gz LCNKHXFVHFOBSN-ACRUOGEOSA-N 1 2 424.589 4.310 10 0 HIAELO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C(C)C)[N@H+](Cc1cccc(F)c1)CC2 ZINC000034855756 557477237 /nfs/dbraw/zinc/47/72/37/557477237.db2.gz GSMFCAOVTQWUFI-HJPURHCSSA-N 1 2 414.521 4.103 10 0 HIAELO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)C(C)C)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000034855756 557477238 /nfs/dbraw/zinc/47/72/38/557477238.db2.gz GSMFCAOVTQWUFI-HJPURHCSSA-N 1 2 414.521 4.103 10 0 HIAELO CCNC(=O)c1cccc(CSc2nc(N(C)Cc3ccccc3)cc(C)[nH+]2)c1 ZINC000006695703 569091546 /nfs/dbraw/zinc/09/15/46/569091546.db2.gz LOVGKMMGNJGJKI-UHFFFAOYSA-N 1 2 406.555 4.463 10 0 HIAELO CCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH+]c1N1CCC[C@@H](O)C1 ZINC000019595197 535295754 /nfs/dbraw/zinc/29/57/54/535295754.db2.gz YBKBCHLYTJJZEB-HXUWFJFHSA-N 1 2 407.514 4.036 10 0 HIAELO Cc1cccn2c([C@@H](CC(=O)NC3CCCCC3)c3ccc4c(c3)OCO4)c[nH+]c12 ZINC000035517002 569043327 /nfs/dbraw/zinc/04/33/27/569043327.db2.gz YKWUYWROHBKIQP-IBGZPJMESA-N 1 2 405.498 4.342 10 0 HIAELO Cc1nc(N2CCN(C(=O)CC(C)C)CC2)c(Cc2c(F)cccc2Cl)c(C)[nH+]1 ZINC000006775878 132315584 /nfs/dbraw/zinc/31/55/84/132315584.db2.gz UTGWJOPONDKZBN-UHFFFAOYSA-N 1 2 418.944 4.171 10 0 HIAELO Nc1nc(N)c(-c2nc3ccccc3s2)c(CCC(=O)Nc2ccc(Cl)cc2)[nH+]1 ZINC000000634454 569032849 /nfs/dbraw/zinc/03/28/49/569032849.db2.gz VCTKQBHRSDBKHU-UHFFFAOYSA-N 1 2 424.917 4.142 10 0 HIAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2cccc(I)c2)c1 ZINC000226259137 569278697 /nfs/dbraw/zinc/27/86/97/569278697.db2.gz ITQUKWBJWKBUJA-UHFFFAOYSA-N 1 2 421.282 4.116 10 0 HIAELO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C(C)C)[N@H+](Cc1cccc(F)c1)CC2 ZINC000034855757 557477112 /nfs/dbraw/zinc/47/71/12/557477112.db2.gz GSMFCAOVTQWUFI-MWTRTKDXSA-N 1 2 414.521 4.103 10 0 HIAELO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C(C)C)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000034855757 557477115 /nfs/dbraw/zinc/47/71/15/557477115.db2.gz GSMFCAOVTQWUFI-MWTRTKDXSA-N 1 2 414.521 4.103 10 0 HIAELO Cc1cccn2c(C[N@@H+]3CCC[C@H]3c3nccs3)c(C(=O)N3CCCCC3)nc12 ZINC000019790929 569429809 /nfs/dbraw/zinc/42/98/09/569429809.db2.gz AEIYXIHOQYGADL-KRWDZBQOSA-N 1 2 409.559 4.062 10 0 HIAELO Cc1cccn2c(C[N@H+]3CCC[C@H]3c3nccs3)c(C(=O)N3CCCCC3)nc12 ZINC000019790929 569429810 /nfs/dbraw/zinc/42/98/10/569429810.db2.gz AEIYXIHOQYGADL-KRWDZBQOSA-N 1 2 409.559 4.062 10 0 HIAELO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C(C)C)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034855748 557477094 /nfs/dbraw/zinc/47/70/94/557477094.db2.gz OXCSTBMTNIMBRJ-QMHKHESXSA-N 1 2 414.521 4.103 10 0 HIAELO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C(C)C)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034855748 557477096 /nfs/dbraw/zinc/47/70/96/557477096.db2.gz OXCSTBMTNIMBRJ-QMHKHESXSA-N 1 2 414.521 4.103 10 0 HIAELO CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1C[NH2+]Cc1ccco1 ZINC000014984425 558692612 /nfs/dbraw/zinc/69/26/12/558692612.db2.gz PWNDXPHJMRBXOR-UHFFFAOYSA-N 1 2 410.861 4.133 10 0 HIAELO Fc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3c[nH]nc3-c3ccc4c(c3)OCO4)nc2c1 ZINC000011936661 559268748 /nfs/dbraw/zinc/26/87/48/559268748.db2.gz KIQFODCWSTZAJV-SFHVURJKSA-N 1 2 405.433 4.158 10 0 HIAELO Fc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3c[nH]nc3-c3ccc4c(c3)OCO4)nc2c1 ZINC000011936661 559268749 /nfs/dbraw/zinc/26/87/49/559268749.db2.gz KIQFODCWSTZAJV-SFHVURJKSA-N 1 2 405.433 4.158 10 0 HIAELO C[C@@H]1CCCC[N@@H+]1CN1c2ccccc2C2(OCC(C)(c3ccccc3)CO2)C1=O ZINC000020569929 524112379 /nfs/dbraw/zinc/11/23/79/524112379.db2.gz NPHMEKFBMIWLEY-PNEAOOGRSA-N 1 2 406.526 4.023 10 0 HIAELO C[C@@H]1CCCC[N@H+]1CN1c2ccccc2C2(OCC(C)(c3ccccc3)CO2)C1=O ZINC000020569929 524112388 /nfs/dbraw/zinc/11/23/88/524112388.db2.gz NPHMEKFBMIWLEY-PNEAOOGRSA-N 1 2 406.526 4.023 10 0 HIAELO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C(C)C)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000034855749 557477123 /nfs/dbraw/zinc/47/71/23/557477123.db2.gz OXCSTBMTNIMBRJ-WAIKUNEKSA-N 1 2 414.521 4.103 10 0 HIAELO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C(C)C)[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000034855749 557477127 /nfs/dbraw/zinc/47/71/27/557477127.db2.gz OXCSTBMTNIMBRJ-WAIKUNEKSA-N 1 2 414.521 4.103 10 0 HIAELO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000224145325 569052847 /nfs/dbraw/zinc/05/28/47/569052847.db2.gz XVRSWVSSWNAZFS-UHFFFAOYSA-N 1 2 408.428 4.196 10 0 HIAELO O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000019771203 569429676 /nfs/dbraw/zinc/42/96/76/569429676.db2.gz RSWDHCPPRZEURR-UHFFFAOYSA-N 1 2 404.514 4.229 10 0 HIAELO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NC(C)C)[N@@H+](Cc3cccc(Cl)c3)C2)n1 ZINC000064084050 558961965 /nfs/dbraw/zinc/96/19/65/558961965.db2.gz RLQKAAZKFDNABD-OALUTQOASA-N 1 2 418.994 4.007 10 0 HIAELO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NC(C)C)[N@H+](Cc3cccc(Cl)c3)C2)n1 ZINC000064084050 558961968 /nfs/dbraw/zinc/96/19/68/558961968.db2.gz RLQKAAZKFDNABD-OALUTQOASA-N 1 2 418.994 4.007 10 0 HIAELO Fc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3c[nH]nc3-c3ccc4c(c3)OCO4)nc2c1 ZINC000011936662 559268769 /nfs/dbraw/zinc/26/87/69/559268769.db2.gz KIQFODCWSTZAJV-GOSISDBHSA-N 1 2 405.433 4.158 10 0 HIAELO Fc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3c[nH]nc3-c3ccc4c(c3)OCO4)nc2c1 ZINC000011936662 559268771 /nfs/dbraw/zinc/26/87/71/559268771.db2.gz KIQFODCWSTZAJV-GOSISDBHSA-N 1 2 405.433 4.158 10 0 HIAELO C[C@H]1S[C@]2(c3ccccc3N(C[NH+]3CCC(C)CC3)C2=O)N(c2ccccc2)C1=O ZINC000016609274 558796621 /nfs/dbraw/zinc/79/66/21/558796621.db2.gz UTCRHBORNRXUAI-KOSHJBKYSA-N 1 2 421.566 4.044 10 0 HIAELO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 ZINC000020540350 521931842 /nfs/dbraw/zinc/93/18/42/521931842.db2.gz SCSSJMVBCFDSAN-KRWDZBQOSA-N 1 2 420.494 4.470 10 0 HIAELO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 ZINC000020540350 521931852 /nfs/dbraw/zinc/93/18/52/521931852.db2.gz SCSSJMVBCFDSAN-KRWDZBQOSA-N 1 2 420.494 4.470 10 0 HIAELO COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2[nH]cc[nH+]2)cc1F ZINC000012433873 568722439 /nfs/dbraw/zinc/72/24/39/568722439.db2.gz WYSXXHSXJYPOSB-UHFFFAOYSA-N 1 2 405.477 4.351 10 0 HIAELO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2ncc[nH]2)cc1F ZINC000012433873 568722442 /nfs/dbraw/zinc/72/24/42/568722442.db2.gz WYSXXHSXJYPOSB-UHFFFAOYSA-N 1 2 405.477 4.351 10 0 HIAELO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2ncc[nH]2)cc1F ZINC000012433873 568722446 /nfs/dbraw/zinc/72/24/46/568722446.db2.gz WYSXXHSXJYPOSB-UHFFFAOYSA-N 1 2 405.477 4.351 10 0 HIAELO Clc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1 ZINC000021640331 568727474 /nfs/dbraw/zinc/72/74/74/568727474.db2.gz LDAZWSVZRHYSOL-UHFFFAOYSA-N 1 2 419.960 4.015 10 0 HIAELO Clc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)cc1 ZINC000021640331 568727475 /nfs/dbraw/zinc/72/74/75/568727475.db2.gz LDAZWSVZRHYSOL-UHFFFAOYSA-N 1 2 419.960 4.015 10 0 HIAELO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 ZINC000020540348 521930157 /nfs/dbraw/zinc/93/01/57/521930157.db2.gz SCSSJMVBCFDSAN-QGZVFWFLSA-N 1 2 420.494 4.470 10 0 HIAELO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 ZINC000020540348 521930172 /nfs/dbraw/zinc/93/01/72/521930172.db2.gz SCSSJMVBCFDSAN-QGZVFWFLSA-N 1 2 420.494 4.470 10 0 HIAELO Cc1cccn2c([C@H](CC(=O)NC3CCCCC3)c3ccc4c(c3)OCO4)c[nH+]c12 ZINC000035517004 569043373 /nfs/dbraw/zinc/04/33/73/569043373.db2.gz YKWUYWROHBKIQP-LJQANCHMSA-N 1 2 405.498 4.342 10 0 HIAELO O=C(COCc1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023310212 526940193 /nfs/dbraw/zinc/94/01/93/526940193.db2.gz MEKVSODMCAGZQI-AREMUKBSSA-N 1 2 418.512 4.276 10 0 HIAELO Cc1cc2nc(N3CCC[N@H+](Cc4nc5cc(F)ccc5[nH]4)CC3)nc(C)c2cc1C ZINC000019854255 569431192 /nfs/dbraw/zinc/43/11/92/569431192.db2.gz OGBQXWLNBIMIKI-UHFFFAOYSA-N 1 2 418.520 4.283 10 0 HIAELO Cc1cc2nc(N3CCC[N@@H+](Cc4nc5cc(F)ccc5[nH]4)CC3)nc(C)c2cc1C ZINC000019854255 569431193 /nfs/dbraw/zinc/43/11/93/569431193.db2.gz OGBQXWLNBIMIKI-UHFFFAOYSA-N 1 2 418.520 4.283 10 0 HIAELO O=C(COCc1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023310209 526939401 /nfs/dbraw/zinc/93/94/01/526939401.db2.gz MEKVSODMCAGZQI-SANMLTNESA-N 1 2 418.512 4.276 10 0 HIAELO O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000023872974 558578594 /nfs/dbraw/zinc/57/85/94/558578594.db2.gz ZTQQSEUPCHOSFX-UHFFFAOYSA-N 1 2 414.549 4.471 10 0 HIAELO Cc1[nH+]c(-c2ccccc2)nc(N2CCN(C(=O)Cc3ccccc3)CC2)c1C(C)C ZINC000035807561 569060837 /nfs/dbraw/zinc/06/08/37/569060837.db2.gz SWPXFCOKBYAXLY-UHFFFAOYSA-N 1 2 414.553 4.467 10 0 HIAELO