smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)c1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000004280578 717097878 /nfs/dbraw/zinc/09/78/78/717097878.db2.gz JOHBGQDLSZLLGM-OBGWFSINSA-N 1 0 372.488 5.358 10 30 FKEERO CCCCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000004375805 207016525 /nfs/dbraw/zinc/01/65/25/207016525.db2.gz BIMIEBMZQZLFKK-RBMKEPMWSA-N 1 0 350.506 5.831 10 30 FKEERO CCN(CC)c1ccc(C2=[N+](CCC#N)c3cccc4cccc2c34)cc1 ZINC000005139458 204192810 /nfs/dbraw/zinc/19/28/10/204192810.db2.gz SRXOBNWSHZEBCY-UHFFFAOYSA-N 1 0 354.477 5.095 10 30 FKEERO CCN(CCC#N)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(C)c1 ZINC000005139529 520979433 /nfs/dbraw/zinc/97/94/33/520979433.db2.gz ZFWWVXCMCNTJFZ-UHFFFAOYSA-N 1 0 372.536 5.454 10 30 FKEERO CCN(CC)C1=CC(=O)C(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C=C1 ZINC000005247168 204199500 /nfs/dbraw/zinc/19/95/00/204199500.db2.gz XUTXRGSPXZPEOC-LHCMUGKRSA-N 1 0 372.472 6.404 10 30 FKEERO CCOC(=O)C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1C(C)(C)C ZINC000005325698 219670571 /nfs/dbraw/zinc/67/05/71/219670571.db2.gz FCRKKYDSQPDABW-UHFFFAOYSA-N 1 0 374.504 5.169 10 30 FKEERO C=C[C@H](C)[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000005368201 203829504 /nfs/dbraw/zinc/82/95/04/203829504.db2.gz VVOPGCQQHJMEAU-NRFANRHFSA-N 1 0 362.496 6.722 10 30 FKEERO CC[N+](CC)(CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1Cl ZINC000005688396 717100994 /nfs/dbraw/zinc/10/09/94/717100994.db2.gz GDUBXMOOQQAGDS-UHFFFAOYSA-O 1 0 373.948 5.261 10 30 FKEERO C[C@@H]1C(=O)C(c2ccccc2)(c2ccccc2)C[C@H](C)[N+]12CCCCCC2 ZINC000005698981 717101031 /nfs/dbraw/zinc/10/10/31/717101031.db2.gz VMCXEGHRSJVMEN-LEWJYISDSA-N 1 0 362.537 5.113 10 30 FKEERO c1ccc(Sc2ccccc2[S+](c2ccccc2)c2ccccc2)cc1 ZINC000006116165 207131423 /nfs/dbraw/zinc/13/14/23/207131423.db2.gz YBFQYBCOXWSFIV-UHFFFAOYSA-N 1 0 371.550 6.933 10 30 FKEERO CCCCCCCCCCCCCCCC[N+](C)(C)[C@@H]1CCCC[C@H]1O ZINC000008214369 717106791 /nfs/dbraw/zinc/10/67/91/717106791.db2.gz YPQVDFLBDPTGLB-DNQXCXABSA-N 1 0 368.670 6.848 10 30 in-man FKEERO CN(C)c1ccc(/C=[NH+]\CC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000018129635 211191598 /nfs/dbraw/zinc/19/15/98/211191598.db2.gz BYYQXUOKLFCTPP-BUFPPZMGSA-N 1 0 364.533 5.089 10 30 FKEERO CCc1c(C)sc2c1CC[N@H+](Cc1ccc(C#N)cc1)[C@@H]2c1ccccc1 ZINC000021337825 211313672 /nfs/dbraw/zinc/31/36/72/211313672.db2.gz FHZDYXVFJXNJBG-HSZRJFAPSA-N 1 0 372.537 5.638 10 30 FKEERO CCc1c(C)sc2c1CC[N@H+](Cc1ccc(C#N)cc1)[C@H]2c1ccccc1 ZINC000021337827 220357091 /nfs/dbraw/zinc/35/70/91/220357091.db2.gz FHZDYXVFJXNJBG-QHCPKHFHSA-N 1 0 372.537 5.638 10 30 FKEERO CCc1c(C)sc2c1CC[N@H+](Cc1ccccc1C#N)[C@@H]2c1ccccc1 ZINC000021337829 220357182 /nfs/dbraw/zinc/35/71/82/220357182.db2.gz FWFWIJJQHYXQSP-HSZRJFAPSA-N 1 0 372.537 5.638 10 30 FKEERO CCc1c(C)sc2c1CC[N@H+](Cc1ccccc1C#N)[C@H]2c1ccccc1 ZINC000021337831 220357210 /nfs/dbraw/zinc/35/72/10/220357210.db2.gz FWFWIJJQHYXQSP-QHCPKHFHSA-N 1 0 372.537 5.638 10 30 FKEERO Cc1cc(NC(=N[C@@H](C)C(C)(C)C)Nc2nccs2)c2ccccc2[nH+]1 ZINC000029569500 210243345 /nfs/dbraw/zinc/24/33/45/210243345.db2.gz APSCGBRBKJTSAJ-AWEZNQCLSA-N 1 0 367.522 5.314 10 30 FKEERO CCC[N+](/C=C\C(=O)c1ccc(Br)cc1)(CCC)CCC ZINC000033373991 717121008 /nfs/dbraw/zinc/12/10/08/717121008.db2.gz HQWWYJZEALWVPL-PTNGSMBKSA-N 1 0 353.324 5.192 10 30 FKEERO CCCCCCOC(=O)C[N+]1(C/C=C(\C)Cc2ccccc2)CCCCC1 ZINC000033956328 717123584 /nfs/dbraw/zinc/12/35/84/717123584.db2.gz VSQYJSGIPZZKIS-PXLXIMEGSA-N 1 0 372.573 5.300 10 30 FKEERO C/C(=C\C[N+]1(CC(=O)OC2CCCCC2)CCCCC1)Cc1ccccc1 ZINC000033956329 717123343 /nfs/dbraw/zinc/12/33/43/717123343.db2.gz RPLXXZLDNXISOM-RCCKNPSSSA-N 1 0 370.557 5.052 10 30 FKEERO CCCCCCCOc1ccccc1NC(=O)O[C@@H](C)C[NH+](CC)CC ZINC000036126887 205006943 /nfs/dbraw/zinc/00/69/43/205006943.db2.gz PYSAVFUPLJMDHW-SFHVURJKSA-N 1 0 364.530 5.315 10 30 FKEERO CCCCCCCOc1ccccc1NC(=O)O[C@H](C)C[NH+](CC)CC ZINC000036126888 208148980 /nfs/dbraw/zinc/14/89/80/208148980.db2.gz PYSAVFUPLJMDHW-GOSISDBHSA-N 1 0 364.530 5.315 10 30 FKEERO C=CCC(O)(CC=C)c1ccc(C[N@@H+](CCC)Cc2ccc(C)s2)o1 ZINC000036154604 210169587 /nfs/dbraw/zinc/16/95/87/210169587.db2.gz RTNWUVNDKVNPCD-UHFFFAOYSA-N 1 0 359.535 5.402 10 30 FKEERO CCCCCCCCCCCCCCCCOC[C@@H](C[N+](C)(C)C)OC ZINC000038143129 205038487 /nfs/dbraw/zinc/03/84/87/205038487.db2.gz AWIKXQMXUCFSAM-HSZRJFAPSA-N 1 0 372.658 6.206 10 30 FKEERO CCCCCCCCCCCCCCCCOC[C@H](C[N+](C)(C)C)OC ZINC000038143130 220849067 /nfs/dbraw/zinc/84/90/67/220849067.db2.gz AWIKXQMXUCFSAM-QHCPKHFHSA-N 1 0 372.658 6.206 10 30 FKEERO CCCCCCCCCCCCCCCCOCC[N+](C)(C)CCO ZINC000038143133 208199926 /nfs/dbraw/zinc/19/99/26/208199926.db2.gz OLJCTSXIXRYDJG-UHFFFAOYSA-N 1 0 358.631 5.553 10 30 FKEERO CCCCCCCCCCCCCCCCOCC[N+](C)(C)CCCO ZINC000038143144 205038410 /nfs/dbraw/zinc/03/84/10/205038410.db2.gz IVTRZKIOYCOVRZ-UHFFFAOYSA-N 1 0 372.658 5.943 10 30 FKEERO CCCCCCCCCOC[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000038144564 220848292 /nfs/dbraw/zinc/84/82/92/220848292.db2.gz PLVXRUKZPXPITR-UHFFFAOYSA-N 1 0 365.541 5.702 10 30 FKEERO CCCCCCCCCCCCCC[C@H](CO)[NH+](CCCC)CCCC ZINC000043552567 208308230 /nfs/dbraw/zinc/30/82/30/208308230.db2.gz BMIRNPGGOJAGRW-XMMPIXPASA-N 1 0 369.678 7.341 10 30 FKEERO CCCCCCCCCCCCCCCC[N+](C)(CCCC)CCCC ZINC000049679932 717130061 /nfs/dbraw/zinc/13/00/61/717130061.db2.gz LXFSLIPLYYREGP-UHFFFAOYSA-N 1 0 368.714 8.515 10 30 FKEERO CCCCCCCCCCCCCCCC[N+](C)(C)[C@@H]1CCCC[C@@H]1O ZINC000056898789 717130333 /nfs/dbraw/zinc/13/03/33/717130333.db2.gz YPQVDFLBDPTGLB-RPWUZVMVSA-N 1 0 368.670 6.848 10 30 in-man FKEERO CCCCCCCCCCCCCCCC[N+](C)(C)[C@H]1CCCC[C@@H]1O ZINC000056898790 717130374 /nfs/dbraw/zinc/13/03/74/717130374.db2.gz YPQVDFLBDPTGLB-ZEQRLZLVSA-N 1 0 368.670 6.848 10 30 in-man FKEERO CCCCCCCCCCCCCCCC[N+](C)(C)[C@H]1CCCC[C@H]1O ZINC000056898792 717130587 /nfs/dbraw/zinc/13/05/87/717130587.db2.gz YPQVDFLBDPTGLB-BJKOFHAPSA-N 1 0 368.670 6.848 10 30 in-man FKEERO CCCCCCCCCCCCCC[N+](CC)(CC)Cc1ccccc1 ZINC000059122578 717130872 /nfs/dbraw/zinc/13/08/72/717130872.db2.gz MYURSISRUXROHM-UHFFFAOYSA-N 1 0 360.650 7.744 10 30 FKEERO CCCCCCCCCCCCCCCCCCOCCC[NH+](C)C ZINC000059687088 212017642 /nfs/dbraw/zinc/01/76/42/212017642.db2.gz BHQZSXXOSYWJSZ-UHFFFAOYSA-N 1 0 355.651 7.216 10 30 FKEERO CCCCCCCC/C=C/CCCCCCCC[NH2+]Cc1ccccc1O ZINC000059717323 205281666 /nfs/dbraw/zinc/28/16/66/205281666.db2.gz TUUBSRLXQKBHEW-MDZDMXLPSA-N 1 0 373.625 7.519 10 30 FKEERO CCCCCCCCCCCCCC[C@@H](C)[N+](C)(C)Cc1ccccc1 ZINC000060069165 717131921 /nfs/dbraw/zinc/13/19/21/717131921.db2.gz DPPIJAGRZCYDRD-XMMPIXPASA-N 1 0 360.650 7.743 10 30 FKEERO CCCCCCCCCCCCCC[C@H](C)[N+](C)(C)Cc1ccccc1 ZINC000060069168 717131858 /nfs/dbraw/zinc/13/18/58/717131858.db2.gz DPPIJAGRZCYDRD-DEOSSOPVSA-N 1 0 360.650 7.743 10 30 FKEERO CCCCCCCCCCCC[C@@H](c1ccccc1)[N+](CC)(CC)CC ZINC000060138815 717132078 /nfs/dbraw/zinc/13/20/78/717132078.db2.gz INEUTTFARBFMGL-VWLOTQADSA-N 1 0 360.650 7.915 10 30 FKEERO CCCCCCCCCCCC[C@H](c1ccccc1)[N+](CC)(CC)CC ZINC000060138816 717131973 /nfs/dbraw/zinc/13/19/73/717131973.db2.gz INEUTTFARBFMGL-RUZDIDTESA-N 1 0 360.650 7.915 10 30 FKEERO C[N+](C)(CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)C1CCCC1 ZINC000064610163 717132693 /nfs/dbraw/zinc/13/26/93/717132693.db2.gz KODFLMOPDBSLGF-UHFFFAOYSA-O 1 0 373.904 5.090 10 30 FKEERO CCCC[P+](CCCC)(CCCC)Cc1c(C)c(C)c(C)c(C)c1C ZINC000071789883 221376156 /nfs/dbraw/zinc/37/61/56/221376156.db2.gz SDYCKXNUQBHMBA-UHFFFAOYSA-N 1 0 363.590 8.147 10 30 FKEERO CCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 ZINC000078067300 717134810 /nfs/dbraw/zinc/13/48/10/717134810.db2.gz NVTGIHULGRHJOP-UHFFFAOYSA-N 1 0 374.677 8.134 10 30 FKEERO CCCC[N+](CCCC)(CCCC)CC(=O)c1ccc2ccccc2c1 ZINC000090416758 521255151 /nfs/dbraw/zinc/25/51/51/521255151.db2.gz TZIGECBMCYGIJP-UHFFFAOYSA-N 1 0 354.558 6.240 10 30 FKEERO CCCCCCCCCCCCCCCCC[C@H](O)CC[N+](C)(C)C ZINC000095681989 205794642 /nfs/dbraw/zinc/79/46/42/205794642.db2.gz KKJWZPZEDCMDIZ-QHCPKHFHSA-N 1 0 356.659 6.705 10 30 FKEERO CCCCCCCCCCCCCCCCC[C@@H](O)CC[N+](C)(C)C ZINC000095681990 717139699 /nfs/dbraw/zinc/13/96/99/717139699.db2.gz KKJWZPZEDCMDIZ-HSZRJFAPSA-N 1 0 356.659 6.705 10 30 FKEERO CCCCCCCC/C=C/CCCCCCCC[NH+](CCO)CCO ZINC000095803370 209086876 /nfs/dbraw/zinc/08/68/76/209086876.db2.gz BITAPBDLHJQAID-MDZDMXLPSA-N 1 0 355.607 5.311 10 30 FKEERO CCCCCCCCOc1ccccc1C(=O)OCC[N+](C)(CC)CC ZINC000095858621 717140248 /nfs/dbraw/zinc/14/02/48/717140248.db2.gz GFJZCZSZNYPXMX-UHFFFAOYSA-N 1 0 364.550 5.069 10 30 FKEERO CC(C)(C#CC(c1ccccc1)c1ccccc1)[N+](C)(C)Cc1ccccc1 ZINC000096194484 571334864 /nfs/dbraw/zinc/33/48/64/571334864.db2.gz NROQOFHUSCTAHU-UHFFFAOYSA-N 1 0 368.544 5.877 10 30 FKEERO Cc1ccc(C(=O)/C=C/C2=C[C@H]([C@@H]3CCCCC[NH2+]3)c3ccccc32)cc1 ZINC000097447428 222182141 /nfs/dbraw/zinc/18/21/41/222182141.db2.gz AESHSURTBODTEF-YNBDVOJHSA-N 1 0 357.497 5.447 10 30 FKEERO Cc1ccc(C(=O)/C=C/C2=C[C@@H]([C@@H]3CCCCC[NH2+]3)c3ccccc32)cc1 ZINC000097447430 222181353 /nfs/dbraw/zinc/18/13/53/222181353.db2.gz AESHSURTBODTEF-HPYXHBHTSA-N 1 0 357.497 5.447 10 30 FKEERO FC(F)(F)c1ccccc1C[NH2+]CCCSC(F)(F)C(F)(F)F ZINC000097950189 527687016 /nfs/dbraw/zinc/68/70/16/527687016.db2.gz OJYNJXOBLHODDV-UHFFFAOYSA-N 1 0 367.305 5.073 10 30 FKEERO FC(F)(F)c1cccc(C[NH2+]CCCSC(F)(F)C(F)(F)F)c1 ZINC000097950191 527685265 /nfs/dbraw/zinc/68/52/65/527685265.db2.gz ICLKOMTYSVXPQQ-UHFFFAOYSA-N 1 0 367.305 5.073 10 30 FKEERO FC(F)(F)c1ccc(C[NH2+]CCCSC(F)(F)C(F)(F)F)cc1 ZINC000097950193 527681934 /nfs/dbraw/zinc/68/19/34/527681934.db2.gz VVHNTFMUGTYAAS-UHFFFAOYSA-N 1 0 367.305 5.073 10 30 FKEERO Cc1ccc(C(=O)/C=C/C2=C[C@H]([C@H]3CCCCC[NH2+]3)c3ccccc32)cc1 ZINC000098211562 222230053 /nfs/dbraw/zinc/23/00/53/222230053.db2.gz AESHSURTBODTEF-QREDHFMISA-N 1 0 357.497 5.447 10 30 FKEERO Cc1ccc(C(=O)/C=C/C2=C[C@@H]([C@H]3CCCCC[NH2+]3)c3ccccc32)cc1 ZINC000098211563 209207340 /nfs/dbraw/zinc/20/73/40/209207340.db2.gz AESHSURTBODTEF-NVECHQRWSA-N 1 0 357.497 5.447 10 30 FKEERO O=C1C(Cl)=CC(Cl)=CC1=C[NH+]=C1C=CC(=NNc2ccccc2)C=C1 ZINC000100033360 209207567 /nfs/dbraw/zinc/20/75/67/209207567.db2.gz LJGABIJVAAECNB-OBMCKAMCSA-N 1 0 370.239 6.865 10 30 FKEERO CCCCCCCCCCCCCCCCCC1=[NH+]CCN1CCN ZINC000100049366 519993497 /nfs/dbraw/zinc/99/34/97/519993497.db2.gz ZDESIKLNPAKKBA-UHFFFAOYSA-N 1 0 351.623 5.921 10 30 FKEERO CCCCCCCCCCCC[N+](CCCC)(CCCC)CCCC ZINC000100057758 205937512 /nfs/dbraw/zinc/93/75/12/205937512.db2.gz ZMUVCOYLTZPCKC-UHFFFAOYSA-N 1 0 354.687 8.124 10 30 FKEERO CCCCCCCC/C=C\CCCCCCCC[N+](C)(CCO)CCO ZINC000100069893 222234666 /nfs/dbraw/zinc/23/46/66/222234666.db2.gz SIIMROTZKDKRFD-KHPPLWFESA-N 1 0 370.642 5.455 10 30 FKEERO CCCCC[C@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000100398602 209213867 /nfs/dbraw/zinc/21/38/67/209213867.db2.gz BIMIEBMZQZLFKK-PILQTQQDSA-N 1 0 350.506 5.831 10 30 FKEERO O=C1C(Cl)=CC(Cl)=CC1=C[NH+]=C1C=CC(=NNc2ccccc2)C=C1 ZINC000100483932 222245027 /nfs/dbraw/zinc/24/50/27/222245027.db2.gz LJGABIJVAAECNB-DEEJLSECSA-N 1 0 370.239 6.865 10 30 FKEERO CCN(CC)C1=CC(=O)C(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C=C1 ZINC000100490940 222245835 /nfs/dbraw/zinc/24/58/35/222245835.db2.gz XUTXRGSPXZPEOC-UVUOEECRSA-N 1 0 372.472 6.404 10 30 FKEERO CCCCCCCCCCCCCCCc1ccc(OCC[NH2+]C)cc1 ZINC000100890624 520006098 /nfs/dbraw/zinc/00/60/98/520006098.db2.gz POGZOJICGLFIHI-UHFFFAOYSA-N 1 0 361.614 6.919 10 30 FKEERO CCCCCCCCCCCCCCCc1ccc(OCCC[NH3+])cc1 ZINC000100890908 520005512 /nfs/dbraw/zinc/00/55/12/520005512.db2.gz XUDZWJZCFAMYCG-UHFFFAOYSA-N 1 0 361.614 7.048 10 30 FKEERO CCCCCCCCCCCCCCCCCC[N+](CC)(OC)OC ZINC000102288773 717145863 /nfs/dbraw/zinc/14/58/63/717145863.db2.gz ITJMLKAXGMLUDQ-UHFFFAOYSA-N 1 0 358.631 7.207 10 30 FKEERO CCCCCCCCCC[C@@]1(OC)C=CC(/[NH+]=C\c2ccccc2)=CC1 ZINC000103677833 222340789 /nfs/dbraw/zinc/34/07/89/222340789.db2.gz OTLYEPSUNBGDDW-VHBBHFJJSA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCCCCC[C@@]1(OC)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000103677838 222341141 /nfs/dbraw/zinc/34/11/41/222341141.db2.gz OTLYEPSUNBGDDW-YPIBWQMHSA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCCCCC[C@]1(OC)C=CC(/[NH+]=C\c2ccccc2)=CC1 ZINC000103677842 222341050 /nfs/dbraw/zinc/34/10/50/222341050.db2.gz OTLYEPSUNBGDDW-OQICMLARSA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCCCCC[C@]1(OC)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000103677847 222341409 /nfs/dbraw/zinc/34/14/09/222341409.db2.gz OTLYEPSUNBGDDW-UZSVZKDMSA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCCCCCO[C@@]1(C)C=CC(/[NH+]=C\c2ccccc2)=CC1 ZINC000103720339 209255522 /nfs/dbraw/zinc/25/55/22/209255522.db2.gz NGKGUYAICYSWPH-OQICMLARSA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCCCCCO[C@@]1(C)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000103720343 222342534 /nfs/dbraw/zinc/34/25/34/222342534.db2.gz NGKGUYAICYSWPH-UZSVZKDMSA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCCCCCO[C@]1(C)C=CC(/[NH+]=C\c2ccccc2)=CC1 ZINC000103720346 222342988 /nfs/dbraw/zinc/34/29/88/222342988.db2.gz NGKGUYAICYSWPH-VHBBHFJJSA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCCCCCO[C@]1(C)C=CC(/[NH+]=C/c2ccccc2)=CC1 ZINC000103720349 222342428 /nfs/dbraw/zinc/34/24/28/222342428.db2.gz NGKGUYAICYSWPH-YPIBWQMHSA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCCCCCCCC[C@H]([NH3+])CCc1ccccc1C(N)=O ZINC000103781595 222344268 /nfs/dbraw/zinc/34/42/68/222344268.db2.gz ADLZKMGHCBLSIK-NRFANRHFSA-N 1 0 360.586 5.747 10 30 FKEERO CCCCCCCCCCCCC[C@@H]([NH3+])CCc1ccccc1C(N)=O ZINC000103781598 222343579 /nfs/dbraw/zinc/34/35/79/222343579.db2.gz ADLZKMGHCBLSIK-OAQYLSRUSA-N 1 0 360.586 5.747 10 30 FKEERO CCCCC[C@H]1/C(=N\O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000105211371 222366454 /nfs/dbraw/zinc/36/64/54/222366454.db2.gz BIMIEBMZQZLFKK-XRJSOMBGSA-N 1 0 350.506 5.831 10 30 FKEERO CCCCCCCCCCCCCCCCC[N+]1(CC)CCCCC1 ZINC000105353819 717147732 /nfs/dbraw/zinc/14/77/32/717147732.db2.gz JFZKVJXTWMHCOK-UHFFFAOYSA-N 1 0 352.671 7.878 10 30 FKEERO CCCCCCCC/C=C/CCCCCCCC[N+](C)(CCO)CCO ZINC000111397023 717148208 /nfs/dbraw/zinc/14/82/08/717148208.db2.gz SIIMROTZKDKRFD-ZHACJKMWSA-N 1 0 370.642 5.455 10 30 FKEERO CCCCCCCCCCCCCCCCCC[NH2+]Cc1ccccc1 ZINC000111397402 519996832 /nfs/dbraw/zinc/99/68/32/519996832.db2.gz OALZJIBCZVVPBY-UHFFFAOYSA-N 1 0 359.642 8.038 10 30 FKEERO CCN(CC)c1ccc(/N=N/c2ccc(C(=O)C[N+](C)(C)C)cc2)c(C)c1 ZINC000111404667 209332528 /nfs/dbraw/zinc/33/25/28/209332528.db2.gz LHSQAXPRSLOCBS-WCWDXBQESA-N 1 0 367.517 5.146 10 30 FKEERO CCCCCCCCCCCCCCCCOC[N+]1(C)CCCCC1 ZINC000111464577 717148699 /nfs/dbraw/zinc/14/86/99/717148699.db2.gz OLGBGKYADASECX-UHFFFAOYSA-N 1 0 354.643 7.072 10 30 FKEERO CCCCCCCCCCCC[N+](C)(C)Cc1cccc(Cl)c1Cl ZINC000111898917 717149275 /nfs/dbraw/zinc/14/92/75/717149275.db2.gz WFNYLNZIXCKAFJ-UHFFFAOYSA-N 1 0 373.432 7.491 10 30 FKEERO CCCCCCCCCCCC[N+](C)(C)COC[C@@H](CC)CCCC ZINC000111905263 717149134 /nfs/dbraw/zinc/14/91/34/717149134.db2.gz BWGJARJWXULJBZ-QHCPKHFHSA-N 1 0 356.659 7.174 10 30 FKEERO CCCCCCCCCCCC[N+](C)(C)COC[C@H](CC)CCCC ZINC000111905264 717149174 /nfs/dbraw/zinc/14/91/74/717149174.db2.gz BWGJARJWXULJBZ-HSZRJFAPSA-N 1 0 356.659 7.174 10 30 FKEERO CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C ZINC000113151041 717149278 /nfs/dbraw/zinc/14/92/78/717149278.db2.gz OWMLFDGBZCHKOL-UHFFFAOYSA-N 1 0 370.686 7.361 10 30 FKEERO CCCCCCCCCCCCCCCC(=O)N[C@@H](CC)[N+](C)(C)C ZINC000113152211 717148978 /nfs/dbraw/zinc/14/89/78/717148978.db2.gz TYUHBNIIQCCUSI-OAQYLSRUSA-O 1 0 355.631 6.026 10 30 FKEERO CCCCCCCCCCCCCCCC(=O)N[C@H](CC)[N+](C)(C)C ZINC000113152214 717149272 /nfs/dbraw/zinc/14/92/72/717149272.db2.gz TYUHBNIIQCCUSI-NRFANRHFSA-O 1 0 355.631 6.026 10 30 FKEERO CCCCCCCCCC[N+](C)(CCO)CCCCCCCCCC ZINC000113912598 717149824 /nfs/dbraw/zinc/14/98/24/717149824.db2.gz XUXZYMCUMKODKW-UHFFFAOYSA-N 1 0 356.659 6.707 10 30 FKEERO CCCCCCCCCCCCCCCC[N+](CCC)(CCC)CCC ZINC000115104609 717149705 /nfs/dbraw/zinc/14/97/05/717149705.db2.gz PKFBZZVFMRCSRF-UHFFFAOYSA-N 1 0 368.714 8.515 10 30 FKEERO CCCCCCCCCCCC[N+](C)(C)C(Cl)(Cl)c1ccccc1 ZINC000115287638 717149576 /nfs/dbraw/zinc/14/95/76/717149576.db2.gz KNRAYCRALVBQHP-UHFFFAOYSA-N 1 0 373.432 7.272 10 30 FKEERO CCCCCCCCCCCCCC[N+](C)(C)[C@@H](CC)c1ccccc1 ZINC000115676265 717149537 /nfs/dbraw/zinc/14/95/37/717149537.db2.gz OJULFXGOEXCYJL-VWLOTQADSA-N 1 0 360.650 7.915 10 30 FKEERO CCCCCCCCCCCCCC[N+](C)(C)[C@H](CC)c1ccccc1 ZINC000115676268 717149526 /nfs/dbraw/zinc/14/95/26/717149526.db2.gz OJULFXGOEXCYJL-RUZDIDTESA-N 1 0 360.650 7.915 10 30 FKEERO CCCCCCCCCCCCCCCCCC[N+](C)(C)C[C@@H]1CO1 ZINC000118247581 717150309 /nfs/dbraw/zinc/15/03/09/717150309.db2.gz RGSUZYPDANFDCI-HSZRJFAPSA-N 1 0 354.643 6.723 10 30 FKEERO CCCCCCCCCCCCCCCCCC[N+](C)(C)C[C@H]1CO1 ZINC000118247582 717150189 /nfs/dbraw/zinc/15/01/89/717150189.db2.gz RGSUZYPDANFDCI-QHCPKHFHSA-N 1 0 354.643 6.723 10 30 FKEERO CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCC ZINC000118664290 717149963 /nfs/dbraw/zinc/14/99/63/717149963.db2.gz XTUDQJASLONBNO-UHFFFAOYSA-N 1 0 354.687 8.124 10 30 FKEERO CCCCCCCCCCCC[N+](C)(C)CCOC(=O)c1ccccc1 ZINC000136568856 717151003 /nfs/dbraw/zinc/15/10/03/717151003.db2.gz QQNIHGLGJSCBOZ-UHFFFAOYSA-N 1 0 362.578 5.841 10 30 FKEERO CCCCCCCC/C=C/CCCCCCC[C@@H](CC)[N+](C)(C)CC ZINC000137215369 717151418 /nfs/dbraw/zinc/15/14/18/717151418.db2.gz QBGHSURWXXXLHB-RFAWQRTRSA-N 1 0 352.671 7.899 10 30 FKEERO CCCCCCCC/C=C/CCCCCCC[C@H](CC)[N+](C)(C)CC ZINC000137215416 717151395 /nfs/dbraw/zinc/15/13/95/717151395.db2.gz QBGHSURWXXXLHB-QDEBQFNMSA-N 1 0 352.671 7.899 10 30 FKEERO CCCCCCCCCCCC[N+](C)(C)COCCCCCCCC ZINC000137291013 717151388 /nfs/dbraw/zinc/15/13/88/717151388.db2.gz JEJSKWJSZPSXEQ-UHFFFAOYSA-N 1 0 356.659 7.318 10 30 FKEERO CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCC ZINC000138264029 717151731 /nfs/dbraw/zinc/15/17/31/717151731.db2.gz PSNXDTWZVBWUJA-UHFFFAOYSA-N 1 0 354.687 8.124 10 30 FKEERO CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(CC)cc1 ZINC000139136443 717151896 /nfs/dbraw/zinc/15/18/96/717151896.db2.gz VIQYYWHDEKRNMH-UHFFFAOYSA-N 1 0 360.650 7.527 10 30 FKEERO CCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C ZINC000139914075 717152012 /nfs/dbraw/zinc/15/20/12/717152012.db2.gz RYEGIPVUPSLYHS-UHFFFAOYSA-N 1 0 356.615 6.107 10 30 FKEERO CCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC ZINC000140689989 717151815 /nfs/dbraw/zinc/15/18/15/717151815.db2.gz RMQQXXFOCVGDBU-UHFFFAOYSA-N 1 0 368.714 8.515 10 30 FKEERO CCCCCCCCCCCCc1ccc(C[N+](CC)(CC)CC)cc1 ZINC000147878709 717153674 /nfs/dbraw/zinc/15/36/74/717153674.db2.gz WPSZMIVHUKAAIQ-UHFFFAOYSA-N 1 0 360.650 7.527 10 30 FKEERO CCCCCCCCCCCCCCOC[C@H](O)C[N+](CC)(CC)CC ZINC000204890895 717159275 /nfs/dbraw/zinc/15/92/75/717159275.db2.gz KDHNZDMVPFTXIR-HSZRJFAPSA-N 1 0 372.658 5.942 10 30 FKEERO CCCCCCCCCCCCCCOC[C@@H](O)C[N+](CC)(CC)CC ZINC000204890910 717159428 /nfs/dbraw/zinc/15/94/28/717159428.db2.gz KDHNZDMVPFTXIR-QHCPKHFHSA-N 1 0 372.658 5.942 10 30 FKEERO CCCCCCCCCCCCCCCCc1ccc(C[N+](C)(C)C)cc1 ZINC000205105674 717159262 /nfs/dbraw/zinc/15/92/62/717159262.db2.gz BYEQUSLIAZFMEH-UHFFFAOYSA-N 1 0 374.677 7.917 10 30 FKEERO CCCCCCCCCCCCCCCCCC[N+](C)(C)CCS ZINC000205159083 717159415 /nfs/dbraw/zinc/15/94/15/717159415.db2.gz YTJSUUVXORZQHP-UHFFFAOYSA-O 1 0 358.700 7.254 10 30 FKEERO CCCCCCCCCCCCCCCCOCCOCC[N+](C)(C)C ZINC000205555682 717159962 /nfs/dbraw/zinc/15/99/62/717159962.db2.gz KWBIULVVKKFKSY-UHFFFAOYSA-N 1 0 372.658 6.207 10 30 FKEERO CCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CCC ZINC000219380009 717161413 /nfs/dbraw/zinc/16/14/13/717161413.db2.gz USEMZWRYPUBOAH-UHFFFAOYSA-N 1 0 354.643 7.261 10 30 FKEERO CCCCCCC[C@]1(OCCCC)C=CC([NH+]=Cc2ccccc2)=CC1 ZINC000255003904 520070498 /nfs/dbraw/zinc/07/04/98/520070498.db2.gz GBERYAJUKJSPTM-DEOSSOPVSA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCC[C@@]1(OCCCC)C=CC([NH+]=Cc2ccccc2)=CC1 ZINC000255003905 520068022 /nfs/dbraw/zinc/06/80/22/520068022.db2.gz GBERYAJUKJSPTM-XMMPIXPASA-N 1 0 353.550 6.865 10 30 FKEERO CCCCCCCCCC[N@@+](C)(CCCCCCCC)Cc1ccccc1 ZINC000256112407 717176523 /nfs/dbraw/zinc/17/65/23/717176523.db2.gz VIFXPKUUIUDWIO-HHHXNRCGSA-N 1 0 374.677 8.134 10 30 FKEERO CCCCCCCCCC[N@+](C)(CCCCCCCC)Cc1ccccc1 ZINC000256112410 717176508 /nfs/dbraw/zinc/17/65/08/717176508.db2.gz VIFXPKUUIUDWIO-MHZLTWQESA-N 1 0 374.677 8.134 10 30 FKEERO C/C(=N\O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H]([N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC001088682592 717196750 /nfs/dbraw/zinc/19/67/50/717196750.db2.gz QBKKBQOXHZCBAX-CVGQEYDQSA-O 1 0 373.605 5.490 10 30 FKEERO C/C(=N\O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H]([N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC001088682593 717196392 /nfs/dbraw/zinc/19/63/92/717196392.db2.gz QBKKBQOXHZCBAX-VWGJFULMSA-O 1 0 373.605 5.490 10 30 FKEERO C/C(=N\O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H]([N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC001088682594 717196473 /nfs/dbraw/zinc/19/64/73/717196473.db2.gz QBKKBQOXHZCBAX-YHVFYUDZSA-O 1 0 373.605 5.490 10 30 FKEERO