smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC000761982063 1077790100 /nfs/dbraw/zinc/79/01/00/1077790100.db2.gz RGSYWBHQTCELOG-CYBMUJFWSA-N 1 0 408.842 0.547 20 10 HCCDRO CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC000761982064 1077790269 /nfs/dbraw/zinc/79/02/69/1077790269.db2.gz RGSYWBHQTCELOG-ZDUSSCGKSA-N 1 0 408.842 0.547 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(=O)Nc3cnn(C)c3)CC2)cc1 ZINC000762410493 1077848182 /nfs/dbraw/zinc/84/81/82/1077848182.db2.gz VRDJBMPHQCUMSR-UHFFFAOYSA-N 1 0 400.483 0.696 20 10 HCCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(S(N)(=O)=O)nc3)cc2F)CC1 ZINC000762744749 1077892256 /nfs/dbraw/zinc/89/22/56/1077892256.db2.gz ODTWADQMESVALN-UHFFFAOYSA-N 1 0 421.498 0.940 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@H](NC(N)=O)C3)CC2)cc1 ZINC000763001707 1077990064 /nfs/dbraw/zinc/99/00/64/1077990064.db2.gz MLHPOIOAQDFINQ-INIZCTEOSA-N 1 0 404.515 0.660 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CC[C@@H](NC(N)=O)C3)CC2)cc1 ZINC000763001708 1077990615 /nfs/dbraw/zinc/99/06/15/1077990615.db2.gz MLHPOIOAQDFINQ-MRXNPFEDSA-N 1 0 404.515 0.660 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3cc([C@H](C)O)nn3)CC2)cc1 ZINC000763010373 1077993605 /nfs/dbraw/zinc/99/36/05/1077993605.db2.gz RJVXCFWJWSBRBX-INIZCTEOSA-N 1 0 402.499 0.669 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3cc([C@@H](C)O)nn3)CC2)cc1 ZINC000763010375 1077993872 /nfs/dbraw/zinc/99/38/72/1077993872.db2.gz RJVXCFWJWSBRBX-MRXNPFEDSA-N 1 0 402.499 0.669 20 10 HCCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H](CCO)C3CCOCC3)CC2)cc1 ZINC000763904133 1079211937 /nfs/dbraw/zinc/21/19/37/1079211937.db2.gz XHGUJEWDPPEKGM-IFMALSPDSA-N 1 0 407.555 0.945 20 10 HCCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](CCO)C3CCOCC3)CC2)cc1 ZINC000763904135 1079211884 /nfs/dbraw/zinc/21/18/84/1079211884.db2.gz XHGUJEWDPPEKGM-IRLDBZIGSA-N 1 0 407.555 0.945 20 10 HCCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](CCO)C3CCOCC3)CC2)cc1 ZINC000763904136 1079211904 /nfs/dbraw/zinc/21/19/04/1079211904.db2.gz XHGUJEWDPPEKGM-RBBKRZOGSA-N 1 0 407.555 0.945 20 10 HCCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](CCO)C3CCOCC3)CC2)cc1 ZINC000763904138 1079211878 /nfs/dbraw/zinc/21/18/78/1079211878.db2.gz XHGUJEWDPPEKGM-UNMCSNQZSA-N 1 0 407.555 0.945 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3=NN(CCO)C(=O)CC3)CC2)cc1 ZINC000765465218 1079442697 /nfs/dbraw/zinc/44/26/97/1079442697.db2.gz JWSIGHZOSSGHCT-UHFFFAOYSA-N 1 0 417.510 0.294 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCS(=O)(=O)N(C)C)CC2)cc1 ZINC000765466416 1079440436 /nfs/dbraw/zinc/44/04/36/1079440436.db2.gz VEWMIVZAWAJPEY-UHFFFAOYSA-N 1 0 412.556 0.605 20 10 HCCDRO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765757217 1079749230 /nfs/dbraw/zinc/74/92/30/1079749230.db2.gz FXKILUSSRHUURV-INIZCTEOSA-N 1 0 414.547 0.890 20 10 HCCDRO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765757221 1079749040 /nfs/dbraw/zinc/74/90/40/1079749040.db2.gz FXKILUSSRHUURV-MRXNPFEDSA-N 1 0 414.547 0.890 20 10 HCCDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785422575 1079193510 /nfs/dbraw/zinc/19/35/10/1079193510.db2.gz NNAHRHQIVYTUIQ-UHFFFAOYSA-N 1 0 403.527 0.381 20 10 HCCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000785422577 1079193608 /nfs/dbraw/zinc/19/36/08/1079193608.db2.gz NPRLHUUMRMFCHY-FXAWDEMLSA-N 1 0 401.555 0.853 20 10 HCCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000785422578 1079193494 /nfs/dbraw/zinc/19/34/94/1079193494.db2.gz NPRLHUUMRMFCHY-PXNSSMCTSA-N 1 0 401.555 0.853 20 10 HCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000785422579 1079194348 /nfs/dbraw/zinc/19/43/48/1079194348.db2.gz NPRLHUUMRMFCHY-XLIONFOSSA-N 1 0 401.555 0.853 20 10 HCCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000785422580 1079194304 /nfs/dbraw/zinc/19/43/04/1079194304.db2.gz NPRLHUUMRMFCHY-YLJYHZDGSA-N 1 0 401.555 0.853 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000785423441 1079208585 /nfs/dbraw/zinc/20/85/85/1079208585.db2.gz YJIZSFJAHMCBEA-UHFFFAOYSA-N 1 0 401.555 0.855 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000785425139 1079253747 /nfs/dbraw/zinc/25/37/47/1079253747.db2.gz WXKOBIQXUYTUAJ-FQEVSTJZSA-N 1 0 401.555 0.996 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000785425142 1079255377 /nfs/dbraw/zinc/25/53/77/1079255377.db2.gz WXKOBIQXUYTUAJ-HXUWFJFHSA-N 1 0 401.555 0.996 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000785432593 1079419626 /nfs/dbraw/zinc/41/96/26/1079419626.db2.gz DTMCSZKNZQQBCR-UHFFFAOYSA-N 1 0 410.522 0.832 20 10 HCCDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785433959 1079439775 /nfs/dbraw/zinc/43/97/75/1079439775.db2.gz QGXPBZUPYONEAX-UHFFFAOYSA-N 1 0 403.527 0.428 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000785434015 1079434350 /nfs/dbraw/zinc/43/43/50/1079434350.db2.gz RROFLQAZGNBSOX-UHFFFAOYSA-N 1 0 401.511 0.135 20 10 HCCDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785438283 1079565995 /nfs/dbraw/zinc/56/59/95/1079565995.db2.gz BOMHBSUKRRCWAV-GOSISDBHSA-N 1 0 403.527 0.428 20 10 HCCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785438285 1079565814 /nfs/dbraw/zinc/56/58/14/1079565814.db2.gz BOMHBSUKRRCWAV-SFHVURJKSA-N 1 0 403.527 0.428 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000785438986 1079559934 /nfs/dbraw/zinc/55/99/34/1079559934.db2.gz JKYVTDGQOSVBPP-UHFFFAOYSA-N 1 0 410.522 0.832 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000785439541 1079773940 /nfs/dbraw/zinc/77/39/40/1079773940.db2.gz QOFXNOSRMHKYRU-UHFFFAOYSA-N 1 0 410.522 0.832 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000785442217 1080033863 /nfs/dbraw/zinc/03/38/63/1080033863.db2.gz IUZWCQOCRWYEAS-GOSISDBHSA-N 1 0 401.511 0.134 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000785442219 1080033822 /nfs/dbraw/zinc/03/38/22/1080033822.db2.gz IUZWCQOCRWYEAS-SFHVURJKSA-N 1 0 401.511 0.134 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000785443066 1080069653 /nfs/dbraw/zinc/06/96/53/1080069653.db2.gz LKXIMIDMXQWFHJ-FQEVSTJZSA-N 1 0 401.555 0.997 20 10 HCCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000785443068 1080069763 /nfs/dbraw/zinc/06/97/63/1080069763.db2.gz LKXIMIDMXQWFHJ-HXUWFJFHSA-N 1 0 401.555 0.997 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3nc4ccccn4c3=O)CC2)cc1 ZINC000914445637 1077603424 /nfs/dbraw/zinc/60/34/24/1077603424.db2.gz DHODHILNJBECAK-UHFFFAOYSA-N 1 0 424.505 0.833 20 10 HCCDRO COCCN1C[C@H](C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000914467395 1077617962 /nfs/dbraw/zinc/61/79/62/1077617962.db2.gz GFAKQMJUPFUECQ-GOSISDBHSA-N 1 0 418.538 0.818 20 10 HCCDRO COCCN1C[C@@H](C(=O)NCCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1=O ZINC000914467397 1077617467 /nfs/dbraw/zinc/61/74/67/1077617467.db2.gz GFAKQMJUPFUECQ-SFHVURJKSA-N 1 0 418.538 0.818 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cn(C)c(=O)[nH]c3=O)CC2)cc1 ZINC000915828696 1078003878 /nfs/dbraw/zinc/00/38/78/1078003878.db2.gz BQKRLUPWJYPWKN-UHFFFAOYSA-N 1 0 401.467 0.437 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)N3C(=O)CCC3=O)CC2)cc1 ZINC000916040831 1078057360 /nfs/dbraw/zinc/05/73/60/1078057360.db2.gz JJBWPLISPAJDCG-MRXNPFEDSA-N 1 0 402.495 0.861 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CN3CCCS3(=O)=O)CC2)cc1 ZINC000916040884 1078057916 /nfs/dbraw/zinc/05/79/16/1078057916.db2.gz OIMKKBRKAFUVQP-UHFFFAOYSA-N 1 0 410.540 0.359 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CN3CCS(=O)(=O)CC3)CC2)cc1 ZINC000916132511 1078066686 /nfs/dbraw/zinc/06/66/86/1078066686.db2.gz CKQBOXKLGOSOKT-UHFFFAOYSA-N 1 0 424.567 0.054 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000916196350 1078072791 /nfs/dbraw/zinc/07/27/91/1078072791.db2.gz BTISTFOGKPIBJZ-KRWDZBQOSA-N 1 0 424.567 0.941 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000916196351 1078072820 /nfs/dbraw/zinc/07/28/20/1078072820.db2.gz BTISTFOGKPIBJZ-QGZVFWFLSA-N 1 0 424.567 0.941 20 10 HCCDRO COc1ccc(N2CCN(C(=O)CSc3nnnn3CC[NH+](C)C)CC2)cc1 ZINC000916702958 1078133886 /nfs/dbraw/zinc/13/38/86/1078133886.db2.gz LNBGYPZPAANPBU-UHFFFAOYSA-N 1 0 405.528 0.684 20 10 HCCDRO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000917073952 1078198483 /nfs/dbraw/zinc/19/84/83/1078198483.db2.gz JMVSAXHPINCWSY-UHFFFAOYSA-N 1 0 401.555 0.949 20 10 HCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C(=O)NCCOC)CC1)cc2=O ZINC000917093098 1078208699 /nfs/dbraw/zinc/20/86/99/1078208699.db2.gz AGFDXTOAVCUNNA-UHFFFAOYSA-N 1 0 405.455 0.586 20 10 HCCDRO C[NH+](C)CCn1nnnc1SCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917227445 1078249117 /nfs/dbraw/zinc/24/91/17/1078249117.db2.gz SPXISFYHTXELJC-UHFFFAOYSA-N 1 0 423.518 0.619 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(S(N)(=O)=O)o3)CC2)cc1 ZINC000917938925 1078351362 /nfs/dbraw/zinc/35/13/62/1078351362.db2.gz NHNAUHDFRZRWPJ-UHFFFAOYSA-N 1 0 422.507 0.878 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCN3CCCS3(=O)=O)CC2)cc1 ZINC000918208373 1078372773 /nfs/dbraw/zinc/37/27/73/1078372773.db2.gz CFSZGQCXEFRPED-UHFFFAOYSA-N 1 0 424.567 0.749 20 10 HCCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C(=O)NCCCOC)CC1)cc2=O ZINC000918739008 1078561436 /nfs/dbraw/zinc/56/14/36/1078561436.db2.gz SMDMRJGMJONOKB-UHFFFAOYSA-N 1 0 419.482 0.976 20 10 HCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](C(=O)N3CCOCC3)C1)cc2=O ZINC000919804367 1079010883 /nfs/dbraw/zinc/01/08/83/1079010883.db2.gz MBVYVYHRJLBTEX-AWEZNQCLSA-N 1 0 417.466 0.682 20 10 HCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C(=O)N3CCOCC3)C1)cc2=O ZINC000919804368 1079010647 /nfs/dbraw/zinc/01/06/47/1079010647.db2.gz MBVYVYHRJLBTEX-CQSZACIVSA-N 1 0 417.466 0.682 20 10 HCCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(NS(C)(=O)=O)ccc3O)cn2)CC1 ZINC000919810253 1079018265 /nfs/dbraw/zinc/01/82/65/1079018265.db2.gz LGSBFBDMTHUXBU-UHFFFAOYSA-N 1 0 419.507 0.841 20 10 HCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)cc2=O ZINC000920089403 1079101607 /nfs/dbraw/zinc/10/16/07/1079101607.db2.gz AGQGLVKSXKKJHY-KBPBESRZSA-N 1 0 419.482 0.975 20 10 HCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](C(=O)NCCOC)CC[C@H]1C)cc2=O ZINC000920089407 1079101637 /nfs/dbraw/zinc/10/16/37/1079101637.db2.gz AGQGLVKSXKKJHY-KGLIPLIRSA-N 1 0 419.482 0.975 20 10 HCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C(=O)NCCOC)CC[C@@H]1C)cc2=O ZINC000920089411 1079101550 /nfs/dbraw/zinc/10/15/50/1079101550.db2.gz AGQGLVKSXKKJHY-UONOGXRCSA-N 1 0 419.482 0.975 20 10 HCCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](C(=O)NCCOC)CC[C@H]1C)cc2=O ZINC000920089417 1079101616 /nfs/dbraw/zinc/10/16/16/1079101616.db2.gz AGQGLVKSXKKJHY-ZIAGYGMSSA-N 1 0 419.482 0.975 20 10 HCCDRO COC(=O)C1CC[NH+](CCCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000920451745 1079161564 /nfs/dbraw/zinc/16/15/64/1079161564.db2.gz RUNXCHOJWXXDBF-UHFFFAOYSA-N 1 0 413.496 0.769 20 10 HCCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000920637111 1079196437 /nfs/dbraw/zinc/19/64/37/1079196437.db2.gz ZPEXPGQMNMGKBS-UHFFFAOYSA-N 1 0 411.480 0.664 20 10 HCCDRO COCCN1C(=O)C(=CNc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)NC1=S ZINC000920979461 1079216776 /nfs/dbraw/zinc/21/67/76/1079216776.db2.gz ODPDMEVSVZNLBH-DTQAZKPQSA-N 1 0 403.508 0.624 20 10 HCCDRO COCCN1C(=O)C(=CNc2ccc(N3CC[NH+](C)CC3)cc2)C(=O)NC1=S ZINC000920979462 1079216727 /nfs/dbraw/zinc/21/67/27/1079216727.db2.gz ODPDMEVSVZNLBH-SSZFMOIBSA-N 1 0 403.508 0.624 20 10 HCCDRO COCCN1C(=O)C(=CNC[C@H](c2cccc(OC)c2)[NH+](C)C)C(=O)NC1=S ZINC000920980308 1079217108 /nfs/dbraw/zinc/21/71/08/1079217108.db2.gz IIBUXQKTBCVTPZ-RBFDBLARSA-N 1 0 406.508 0.661 20 10 HCCDRO COCCN1C(=O)C(=CNC[C@@H](c2cccc(OC)c2)[NH+](C)C)C(=O)NC1=S ZINC000920980309 1079216972 /nfs/dbraw/zinc/21/69/72/1079216972.db2.gz IIBUXQKTBCVTPZ-SFKKXYGYSA-N 1 0 406.508 0.661 20 10 HCCDRO COCCN1C(=O)C(=CNC[C@H](c2cccc(OC)c2)[NH+](C)C)C(=O)NC1=S ZINC000920980310 1079216986 /nfs/dbraw/zinc/21/69/86/1079216986.db2.gz IIBUXQKTBCVTPZ-UVQBRAAOSA-N 1 0 406.508 0.661 20 10 HCCDRO COCCN1C(=O)C(=CNc2ccc(N3CC[NH+](C)CC3)cc2C)C(=O)NC1=S ZINC000920980411 1079217028 /nfs/dbraw/zinc/21/70/28/1079217028.db2.gz MLBLLGLORLRMLU-DTQAZKPQSA-N 1 0 417.535 0.932 20 10 HCCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CN3CC(=O)N(C)C3=O)CC2)cc1 ZINC001124517144 1078996816 /nfs/dbraw/zinc/99/68/16/1078996816.db2.gz MMSNVASXBZVCER-UHFFFAOYSA-N 1 0 403.483 0.218 20 10 HCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C(=O)NCCO)CC3)cc2)CC1 ZINC001687441200 1078808812 /nfs/dbraw/zinc/80/88/12/1078808812.db2.gz DODIHUDORNRVPZ-UHFFFAOYSA-N 1 0 403.527 0.469 20 10 HCCDRO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001687441359 1078809224 /nfs/dbraw/zinc/80/92/24/1078809224.db2.gz KIHHLARXCDPQCA-GOSISDBHSA-N 1 0 409.556 0.662 20 10 HCCDRO CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001687441360 1078809114 /nfs/dbraw/zinc/80/91/14/1078809114.db2.gz KIHHLARXCDPQCA-SFHVURJKSA-N 1 0 409.556 0.662 20 10 HCCDRO CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CCN2C1=O ZINC001687441392 1078809912 /nfs/dbraw/zinc/80/99/12/1078809912.db2.gz LNTUPWLBQSHDBW-GOSISDBHSA-N 1 0 414.510 0.616 20 10 HCCDRO CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)CCN2C1=O ZINC001687441393 1078809819 /nfs/dbraw/zinc/80/98/19/1078809819.db2.gz LNTUPWLBQSHDBW-SFHVURJKSA-N 1 0 414.510 0.616 20 10 HCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC(C(=O)NCCCO)CC3)cc2)CC1 ZINC001687441444 1078810158 /nfs/dbraw/zinc/81/01/58/1078810158.db2.gz NBNUFLOSXGGZLM-UHFFFAOYSA-N 1 0 417.554 0.859 20 10 HCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)cc2)CC1 ZINC001687441556 1078810232 /nfs/dbraw/zinc/81/02/32/1078810232.db2.gz QRZNSCRJYAPZAM-IBGZPJMESA-N 1 0 415.538 0.611 20 10 HCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)cc2)CC1 ZINC001687441557 1078810177 /nfs/dbraw/zinc/81/01/77/1078810177.db2.gz QRZNSCRJYAPZAM-LJQANCHMSA-N 1 0 415.538 0.611 20 10 HCCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(C(C)(C)C(N)=O)CC3)cc2)CC1 ZINC001687441581 1078810638 /nfs/dbraw/zinc/81/06/38/1078810638.db2.gz RORJZTQVCZBIRK-UHFFFAOYSA-N 1 0 402.543 0.530 20 10 HCCDRO COC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C(=O)OC ZINC001687443489 1078878032 /nfs/dbraw/zinc/87/80/32/1078878032.db2.gz IQBKSISWVDTWNX-HDICACEKSA-N 1 0 418.494 0.542 20 10 HCCDRO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C(=O)OC ZINC001687443490 1078878037 /nfs/dbraw/zinc/87/80/37/1078878037.db2.gz IQBKSISWVDTWNX-QZTJIDSGSA-N 1 0 418.494 0.542 20 10 HCCDRO COC(=O)[C@H]1CN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C(=O)OC ZINC001687443491 1078877892 /nfs/dbraw/zinc/87/78/92/1078877892.db2.gz IQBKSISWVDTWNX-ROUUACIJSA-N 1 0 418.494 0.542 20 10 HCCDRO COC(OC)C(=O)N1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001687443870 1078886167 /nfs/dbraw/zinc/88/61/67/1078886167.db2.gz WORLTKIRWOUURJ-UHFFFAOYSA-N 1 0 419.526 0.411 20 10 HCCDRO