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)[N@@H+]1[C@@H]2CCN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843278 720627700 /nfs/dbraw/zinc/62/77/00/720627700.db2.gz XKOQPTJSRREFSX-IVAOSVALSA-N 1 1 465.602 3.000 20 30 JFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843283 720628764 /nfs/dbraw/zinc/62/87/64/720628764.db2.gz XKOQPTJSRREFSX-PLACYPQZSA-N 1 1 465.602 3.000 20 30 JFEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164751013 720840649 /nfs/dbraw/zinc/84/06/49/720840649.db2.gz XRYLRMKYPUSOTL-SYYKKAFVSA-N 1 1 462.602 2.909 20 30 JFEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750556 720930536 /nfs/dbraw/zinc/93/05/36/720930536.db2.gz JUKXVUYJKSIJRH-GJZUVCINSA-N 1 1 461.566 2.890 20 30 JFEDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC2)C1 ZINC001164875736 721292857 /nfs/dbraw/zinc/29/28/57/721292857.db2.gz GHMWMPWPIWFODK-UHFFFAOYSA-N 1 1 484.988 2.801 20 30 JFEDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC2)C1 ZINC001164879614 721292916 /nfs/dbraw/zinc/29/29/16/721292916.db2.gz XFLHCBBKDDDIKX-UHFFFAOYSA-N 1 1 484.988 2.801 20 30 JFEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1 ZINC001164892786 721448266 /nfs/dbraw/zinc/44/82/66/721448266.db2.gz YFRPRKLUTLIUCM-HYBUGGRVSA-N 1 1 450.543 2.780 20 30 JFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1 ZINC001164892785 721448428 /nfs/dbraw/zinc/44/84/28/721448428.db2.gz YFRPRKLUTLIUCM-GBXCKJPGSA-N 1 1 450.543 2.780 20 30 JFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1 ZINC001164892787 721448518 /nfs/dbraw/zinc/44/85/18/721448518.db2.gz YFRPRKLUTLIUCM-RDPSFJRHSA-N 1 1 450.543 2.780 20 30 JFEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903494 721553983 /nfs/dbraw/zinc/55/39/83/721553983.db2.gz BNNLVEGJINETCE-YZGWKJHDSA-N 1 1 461.497 2.891 20 30 JFEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963277 722059866 /nfs/dbraw/zinc/05/98/66/722059866.db2.gz VGLRYAJNHULIPZ-OAQYLSRUSA-N 1 1 486.576 2.924 20 30 JFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983107 722108766 /nfs/dbraw/zinc/10/87/66/722108766.db2.gz YHLQBJBPKUKGBR-FXAWDEMLSA-N 1 1 455.946 2.906 20 30 JFEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nn2)cc1 ZINC001164998073 722229733 /nfs/dbraw/zinc/22/97/33/722229733.db2.gz WLNODKZTXRDMMO-JOCHJYFZSA-N 1 1 454.582 2.588 20 30 JFEDMO CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001265828612 1059930811 /nfs/dbraw/zinc/93/08/11/1059930811.db2.gz QYDADOAWODZOKX-DHIUTWEWSA-N 1 1 459.550 2.886 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001286273961 1060031979 /nfs/dbraw/zinc/03/19/79/1060031979.db2.gz HGMIDGNFBXUWEY-ISJBWFOZSA-N 1 1 467.614 2.657 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001286273961 1060031994 /nfs/dbraw/zinc/03/19/94/1060031994.db2.gz HGMIDGNFBXUWEY-ISJBWFOZSA-N 1 1 467.614 2.657 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001286294666 1060048913 /nfs/dbraw/zinc/04/89/13/1060048913.db2.gz FCDHPEPNDCDZMI-IPMKNSEASA-N 1 1 469.590 2.819 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001286297701 1060050487 /nfs/dbraw/zinc/05/04/87/1060050487.db2.gz CVMFCXVZEWSXLA-JRBPQWBISA-N 1 1 461.657 2.783 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001286297701 1060050506 /nfs/dbraw/zinc/05/05/06/1060050506.db2.gz CVMFCXVZEWSXLA-JRBPQWBISA-N 1 1 461.657 2.783 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001286297709 1060050592 /nfs/dbraw/zinc/05/05/92/1060050592.db2.gz CVMFCXVZEWSXLA-PNYFIKQUSA-N 1 1 461.657 2.783 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001286297709 1060050607 /nfs/dbraw/zinc/05/06/07/1060050607.db2.gz CVMFCXVZEWSXLA-PNYFIKQUSA-N 1 1 461.657 2.783 20 30 JFEDMO C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001286304169 1060055909 /nfs/dbraw/zinc/05/59/09/1060055909.db2.gz UUAXOYYFBROGQB-RPWUZVMVSA-N 1 1 463.674 2.975 20 30 JFEDMO C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001286305212 1060057773 /nfs/dbraw/zinc/05/77/73/1060057773.db2.gz LRJALFBTAAAZLU-CGXNFDGLSA-N 1 1 474.650 2.864 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCCC[C@H]2CC)c1 ZINC001286308527 1060061331 /nfs/dbraw/zinc/06/13/31/1060061331.db2.gz APZAGJZPOJDKDM-HSZRJFAPSA-N 1 1 474.613 2.999 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001286308381 1060061457 /nfs/dbraw/zinc/06/14/57/1060061457.db2.gz ISMVYEJVYINYPM-UXHICEINSA-N 1 1 479.629 2.593 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC001286308528 1060062021 /nfs/dbraw/zinc/06/20/21/1060062021.db2.gz APZAGJZPOJDKDM-QHCPKHFHSA-N 1 1 474.613 2.999 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001286308995 1060062464 /nfs/dbraw/zinc/06/24/64/1060062464.db2.gz NEACXZLUJHCPGQ-QFIPXVFZSA-N 1 1 466.630 2.989 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001286309362 1060063470 /nfs/dbraw/zinc/06/34/70/1060063470.db2.gz KRTJRBWPCXUIDP-QFIPXVFZSA-N 1 1 450.587 2.569 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001286310036 1060065357 /nfs/dbraw/zinc/06/53/57/1060065357.db2.gz AORNQRMODVFPLM-GGAORHGYSA-N 1 1 494.640 2.729 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001286311794 1060071272 /nfs/dbraw/zinc/07/12/72/1060071272.db2.gz QBBQOADSILAXAM-UYAOXDASSA-N 1 1 450.587 2.711 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC001286311787 1060071333 /nfs/dbraw/zinc/07/13/33/1060071333.db2.gz QBBQOADSILAXAM-ICSRJNTNSA-N 1 1 450.587 2.711 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC001286311790 1060071445 /nfs/dbraw/zinc/07/14/45/1060071445.db2.gz QBBQOADSILAXAM-QUCCMNQESA-N 1 1 450.587 2.711 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCCn2cc[nH+]c2C)c1 ZINC001286311932 1060071939 /nfs/dbraw/zinc/07/19/39/1060071939.db2.gz SCZGHURDMZCAOS-NRFANRHFSA-N 1 1 461.570 2.824 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001286312351 1060073631 /nfs/dbraw/zinc/07/36/31/1060073631.db2.gz WWQLVIJHEBEGMW-DNQXCXABSA-N 1 1 494.640 2.933 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)C2CCCC2)c1 ZINC001286312659 1060073712 /nfs/dbraw/zinc/07/37/12/1060073712.db2.gz ZJNMBEBUKGJIAY-FQEVSTJZSA-N 1 1 450.587 2.713 20 30 JFEDMO C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286318341 1060078972 /nfs/dbraw/zinc/07/89/72/1060078972.db2.gz NFEPENCVLCHEHE-DEOSSOPVSA-N 1 1 450.631 2.980 20 30 JFEDMO C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001286327619 1060085639 /nfs/dbraw/zinc/08/56/39/1060085639.db2.gz JQGJSIOSRRCRQV-UHFFFAOYSA-N 1 1 469.659 2.572 20 30 JFEDMO C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001286327619 1060085662 /nfs/dbraw/zinc/08/56/62/1060085662.db2.gz JQGJSIOSRRCRQV-UHFFFAOYSA-N 1 1 469.659 2.572 20 30 JFEDMO C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001286337126 1060091195 /nfs/dbraw/zinc/09/11/95/1060091195.db2.gz AIQZHMWMHJPEPU-QFBILLFUSA-N 1 1 461.408 2.996 20 30 JFEDMO C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001286338840 1060093862 /nfs/dbraw/zinc/09/38/62/1060093862.db2.gz QQZAGICPZVVYBF-VWLOTQADSA-N 1 1 450.587 2.862 20 30 JFEDMO C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286342289 1060097786 /nfs/dbraw/zinc/09/77/86/1060097786.db2.gz PHSRVJWNFWHLGN-SKPFHBQLSA-N 1 1 482.604 2.959 20 30 JFEDMO C#CCCCn1c(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286360984 1060121951 /nfs/dbraw/zinc/12/19/51/1060121951.db2.gz XKVPMHFSWRSTIJ-AREMUKBSSA-N 1 1 472.678 2.727 20 30 JFEDMO C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001286363592 1060126219 /nfs/dbraw/zinc/12/62/19/1060126219.db2.gz PGWVKKFPVOBKFT-HFZDXXHNSA-N 1 1 467.614 2.657 20 30 JFEDMO C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001286363592 1060126225 /nfs/dbraw/zinc/12/62/25/1060126225.db2.gz PGWVKKFPVOBKFT-HFZDXXHNSA-N 1 1 467.614 2.657 20 30 JFEDMO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001286377577 1060141379 /nfs/dbraw/zinc/14/13/79/1060141379.db2.gz YPORXBOJKUIENY-WOJBJXKFSA-N 1 1 460.623 2.920 20 30 JFEDMO C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCC[N@@H+]1CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286387564 1060201991 /nfs/dbraw/zinc/20/19/91/1060201991.db2.gz SISHHYLJIHDESZ-FGZHOGPDSA-N 1 1 470.643 2.621 20 30 JFEDMO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286387975 1060205684 /nfs/dbraw/zinc/20/56/84/1060205684.db2.gz JHQWJGGQWRGHST-UNMCSNQZSA-N 1 1 485.654 2.845 20 30 JFEDMO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CC[N@H+](CCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388213 1060208463 /nfs/dbraw/zinc/20/84/63/1060208463.db2.gz MEKKEDHDXUSDAA-FYYLOGMGSA-N 1 1 469.655 2.866 20 30 JFEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1CCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393639 1060244944 /nfs/dbraw/zinc/24/49/44/1060244944.db2.gz RGFSVZZSUPEIOE-GHTZIAJQSA-N 1 1 490.699 2.525 20 30 JFEDMO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H]1CCCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001286395235 1060255980 /nfs/dbraw/zinc/25/59/80/1060255980.db2.gz RSIZBYUNBRQHKZ-GOTSBHOMSA-N 1 1 469.655 2.678 20 30 JFEDMO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397625 1060269217 /nfs/dbraw/zinc/26/92/17/1060269217.db2.gz BNLLNHJYFGRADK-CIAFKFPVSA-N 1 1 491.702 2.555 20 30 JFEDMO C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286408531 1060291545 /nfs/dbraw/zinc/29/15/45/1060291545.db2.gz GSLZUZICRRDMOM-JOCHJYFZSA-N 1 1 467.017 2.538 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286408635 1060291734 /nfs/dbraw/zinc/29/17/34/1060291734.db2.gz IILDFDDMKNNZAU-HSZRJFAPSA-N 1 1 485.592 2.616 20 30 JFEDMO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@H+](CC)C1CC1 ZINC001286413843 1060298939 /nfs/dbraw/zinc/29/89/39/1060298939.db2.gz OGGDHTVTJZRPNK-FQEVSTJZSA-N 1 1 454.619 2.950 20 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1 1 475.601 2.576 20 30 JFEDMO CC[N@@H+](CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868680 1063905193 /nfs/dbraw/zinc/90/51/93/1063905193.db2.gz UOKNSYVFXVBEEL-SANMLTNESA-N 1 1 496.660 2.642 20 30 JFEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1C ZINC001296014033 1064075650 /nfs/dbraw/zinc/07/56/50/1064075650.db2.gz XPFKSYLXRIISBD-IUKKYPGJSA-N 1 1 456.616 2.516 20 30 JFEDMO CC[N@@H+]1CC[C@H](Cn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001296050767 1064110343 /nfs/dbraw/zinc/11/03/43/1064110343.db2.gz UUYWNHZDJLPXTG-PKTZIBPZSA-N 1 1 464.662 2.580 20 30 JFEDMO CC[N@H+]1CC[C@H](Cn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001296050767 1064110356 /nfs/dbraw/zinc/11/03/56/1064110356.db2.gz UUYWNHZDJLPXTG-PKTZIBPZSA-N 1 1 464.662 2.580 20 30 JFEDMO CC[N@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296056489 1064117592 /nfs/dbraw/zinc/11/75/92/1064117592.db2.gz LPFCKQVTHLMQQD-QFIPXVFZSA-N 1 1 465.602 2.523 20 30 JFEDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296061187 1064126697 /nfs/dbraw/zinc/12/66/97/1064126697.db2.gz VSGMTCSNLSVNPW-RTWAWAEBSA-N 1 1 456.616 2.705 20 30 JFEDMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001296079183 1064146043 /nfs/dbraw/zinc/14/60/43/1064146043.db2.gz CTGHUHOBQIMERI-FCHUYYIVSA-N 1 1 465.602 2.740 20 30 JFEDMO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001291765337 1064246029 /nfs/dbraw/zinc/24/60/29/1064246029.db2.gz LAYJJTYISIQYIF-OFNKIYASSA-N 1 1 451.619 2.848 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001291765337 1064246042 /nfs/dbraw/zinc/24/60/42/1064246042.db2.gz LAYJJTYISIQYIF-OFNKIYASSA-N 1 1 451.619 2.848 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC001291766249 1064247715 /nfs/dbraw/zinc/24/77/15/1064247715.db2.gz UCDOJWVVYVQXIU-OFNKIYASSA-N 1 1 462.602 2.957 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001291766939 1064249038 /nfs/dbraw/zinc/24/90/38/1064249038.db2.gz HATJFZLAGFYSBW-LJQANCHMSA-N 1 1 487.674 2.797 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001291771982 1064255128 /nfs/dbraw/zinc/25/51/28/1064255128.db2.gz MUYXNMYUTKPISU-HXUWFJFHSA-N 1 1 459.602 2.659 20 30 JFEDMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001291783661 1064277707 /nfs/dbraw/zinc/27/77/07/1064277707.db2.gz ORHLFNLVJHXOSM-RXVVDRJESA-N 1 1 453.591 2.564 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001291785872 1064281763 /nfs/dbraw/zinc/28/17/63/1064281763.db2.gz XNGRZCIHMSVEBY-HXUWFJFHSA-N 1 1 494.644 2.843 20 30 JFEDMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(F)(F)F)C2)CC1 ZINC001296183168 1064326755 /nfs/dbraw/zinc/32/67/55/1064326755.db2.gz ZCNFXXICEYZKBP-GOSISDBHSA-N 1 1 463.508 2.507 20 30 JFEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296185260 1064333056 /nfs/dbraw/zinc/33/30/56/1064333056.db2.gz OEBVQBNISPWFNH-VGOFRKELSA-N 1 1 460.989 2.709 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296191457 1064341881 /nfs/dbraw/zinc/34/18/81/1064341881.db2.gz ALSBXJTUFARKNC-NZQKXSOJSA-N 1 1 451.619 2.706 20 30 JFEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296191456 1064341984 /nfs/dbraw/zinc/34/19/84/1064341984.db2.gz ALSBXJTUFARKNC-NFBKMPQASA-N 1 1 451.619 2.706 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001296193115 1064347938 /nfs/dbraw/zinc/34/79/38/1064347938.db2.gz HNHNYSXQMRXEIQ-OALUTQOASA-N 1 1 453.591 2.686 20 30 JFEDMO CC[NH+]1CCN(CCCCn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296204250 1064385710 /nfs/dbraw/zinc/38/57/10/1064385710.db2.gz QSKVIPAGXHANKH-XMMPIXPASA-N 1 1 457.573 2.868 20 30 JFEDMO CC[NH+]1CCN(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296205890 1064392646 /nfs/dbraw/zinc/39/26/46/1064392646.db2.gz FCIGXEKKUBSNOZ-UHFFFAOYSA-N 1 1 452.563 2.621 20 30 JFEDMO CC[NH+]1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296206371 1064395443 /nfs/dbraw/zinc/39/54/43/1064395443.db2.gz OUDMTYKNWKHOPA-UHFFFAOYSA-N 1 1 492.672 2.728 20 30 JFEDMO CCN1CC[NH+](CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001296213030 1064406632 /nfs/dbraw/zinc/40/66/32/1064406632.db2.gz FHUWVYDEAIRKNG-NRFANRHFSA-N 1 1 469.659 2.635 20 30 JFEDMO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001296306211 1064584735 /nfs/dbraw/zinc/58/47/35/1064584735.db2.gz HQYWTFQPBDMJFY-NRFANRHFSA-N 1 1 464.618 2.789 20 30 JFEDMO CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001296306212 1064584963 /nfs/dbraw/zinc/58/49/63/1064584963.db2.gz HQYWTFQPBDMJFY-OAQYLSRUSA-N 1 1 464.618 2.789 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001292056079 1064725969 /nfs/dbraw/zinc/72/59/69/1064725969.db2.gz QNUJPJVXVOQNHO-JOCHJYFZSA-N 1 1 459.595 2.758 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[N@H+]1CCc2sccc2C1 ZINC001292056079 1064725980 /nfs/dbraw/zinc/72/59/80/1064725980.db2.gz QNUJPJVXVOQNHO-JOCHJYFZSA-N 1 1 459.595 2.758 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCn1cc[nH+]c1C ZINC001292139213 1064907458 /nfs/dbraw/zinc/90/74/58/1064907458.db2.gz UGBWQISVJBWBRS-QFIPXVFZSA-N 1 1 476.585 2.851 20 30 JFEDMO CCC(O)(CC)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001292267124 1065046372 /nfs/dbraw/zinc/04/63/72/1065046372.db2.gz JBVRDIVWBGSEFF-UHFFFAOYSA-N 1 1 467.618 2.551 20 30 JFEDMO CCc1ccc([C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)[NH+](C)C)cc1 ZINC001292460831 1065189696 /nfs/dbraw/zinc/18/96/96/1065189696.db2.gz JWHKJYUFTPMJQS-UIFIKXQLSA-N 1 1 458.632 2.784 20 30 JFEDMO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CCNC(=O)C2N=CC=CC2=O)cc1 ZINC001292483197 1065204624 /nfs/dbraw/zinc/20/46/24/1065204624.db2.gz BYBJKJUGUJZZEW-KKLKEOMVSA-N 1 1 477.613 2.953 20 30 JFEDMO CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001292790466 1065551876 /nfs/dbraw/zinc/55/18/76/1065551876.db2.gz HNZQJMGEVRZCOG-CALCHBBNSA-N 1 1 466.615 2.824 20 30 JFEDMO CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001292790466 1065551891 /nfs/dbraw/zinc/55/18/91/1065551891.db2.gz HNZQJMGEVRZCOG-CALCHBBNSA-N 1 1 466.615 2.824 20 30 JFEDMO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001293638993 1066156700 /nfs/dbraw/zinc/15/67/00/1066156700.db2.gz NDCSYSPVVWJECG-CTNGQTDRSA-N 1 1 468.602 2.843 20 30 JFEDMO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001293638993 1066156704 /nfs/dbraw/zinc/15/67/04/1066156704.db2.gz NDCSYSPVVWJECG-CTNGQTDRSA-N 1 1 468.602 2.843 20 30 JFEDMO CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001293834487 1066339043 /nfs/dbraw/zinc/33/90/43/1066339043.db2.gz JIVFOLKHVVJSPC-FNZWTVRRSA-N 1 1 482.629 2.969 20 30 JFEDMO CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC[N@H+]1CCOC ZINC001294069902 1066540415 /nfs/dbraw/zinc/54/04/15/1066540415.db2.gz ZQTDIJWHQILJRB-DHLKQENFSA-N 1 1 468.602 2.559 20 30 JFEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837737 720606496 /nfs/dbraw/zinc/60/64/96/720606496.db2.gz IVQRTNYAZAZNOS-VLVHOKLOSA-N 1 1 473.581 2.984 20 30 JFEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837735 720608231 /nfs/dbraw/zinc/60/82/31/720608231.db2.gz IVQRTNYAZAZNOS-DZCCDHAISA-N 1 1 473.581 2.984 20 30 JFEDMO COC(=O)c1cc(C#N)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750539 720931214 /nfs/dbraw/zinc/93/12/14/720931214.db2.gz JUKXVUYJKSIJRH-ATIYNZHBSA-N 1 1 461.566 2.890 20 30 JFEDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC2)C1 ZINC001164874100 721264343 /nfs/dbraw/zinc/26/43/43/721264343.db2.gz JBPRQXVGAGBSMI-UHFFFAOYSA-N 1 1 451.546 2.766 20 30 JFEDMO COc1cc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(C#N)c(Cl)n1 ZINC001164886485 721421377 /nfs/dbraw/zinc/42/13/77/721421377.db2.gz JEEWKRODHJRVIH-IIBYNOLFSA-N 1 1 469.964 2.926 20 30 JFEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903490 721554273 /nfs/dbraw/zinc/55/42/73/721554273.db2.gz BNNLVEGJINETCE-DFQSSKMNSA-N 1 1 461.497 2.891 20 30 JFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)[C@H]2CCCO[C@H]12 ZINC001164808935 721585598 /nfs/dbraw/zinc/58/55/98/721585598.db2.gz RVBAWTDZIDOPRE-KEZQHZCBSA-N 1 1 464.570 2.689 20 30 JFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)[C@H]2CCCO[C@H]12 ZINC001164808935 721585601 /nfs/dbraw/zinc/58/56/01/721585601.db2.gz RVBAWTDZIDOPRE-KEZQHZCBSA-N 1 1 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454.582 2.588 20 30 JFEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(COc4ccc(CC#N)cc4)cn2)CC3)CC1 ZINC001165002840 722238261 /nfs/dbraw/zinc/23/82/61/722238261.db2.gz ZVRZVKMGVOPEPL-UHFFFAOYSA-N 1 1 469.593 2.874 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCC[N@@H+]1CC ZINC001286294831 1060048878 /nfs/dbraw/zinc/04/88/78/1060048878.db2.gz FRDYJIWGADUGMZ-XUVXKRRUSA-N 1 1 460.623 2.919 20 30 JFEDMO C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[N@H+](C)CCOC ZINC001286298621 1060051709 /nfs/dbraw/zinc/05/17/09/1060051709.db2.gz MMMAGEPXJIXYFB-UXHICEINSA-N 1 1 462.639 2.819 20 30 JFEDMO C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001286314889 1060075745 /nfs/dbraw/zinc/07/57/45/1060075745.db2.gz IEVPIMQKZPTNQV-VQTJNVASSA-N 1 1 472.659 2.918 20 30 JFEDMO C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001286314943 1060076257 /nfs/dbraw/zinc/07/62/57/1060076257.db2.gz JMUPFJLLALXMFM-JOCHJYFZSA-N 1 1 466.630 2.982 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C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC001286560698 1060634735 /nfs/dbraw/zinc/63/47/35/1060634735.db2.gz HWVMMBWBYXJORX-BVSLBCMMSA-N 1 1 457.623 2.597 20 30 JFEDMO C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001286578748 1060665433 /nfs/dbraw/zinc/66/54/33/1060665433.db2.gz JJBVFYCPLRBQIG-FCHUYYIVSA-N 1 1 452.603 2.637 20 30 JFEDMO C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286584933 1060676722 /nfs/dbraw/zinc/67/67/22/1060676722.db2.gz WEPKLYUMLQDMFK-HDICACEKSA-N 1 1 475.663 2.668 20 30 JFEDMO C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286584933 1060676731 /nfs/dbraw/zinc/67/67/31/1060676731.db2.gz WEPKLYUMLQDMFK-HDICACEKSA-N 1 1 475.663 2.668 20 30 JFEDMO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286591331 1060687431 /nfs/dbraw/zinc/68/74/31/1060687431.db2.gz PYMZBJUYEJPGRB-JOCHJYFZSA-N 1 1 484.645 2.770 20 30 JFEDMO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286601657 1060703452 /nfs/dbraw/zinc/70/34/52/1060703452.db2.gz SBRNSBKKFFXDJS-GBXCKJPGSA-N 1 1 477.613 2.684 20 30 JFEDMO C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001286605351 1060712327 /nfs/dbraw/zinc/71/23/27/1060712327.db2.gz LGORAASRDZGIEB-UHFFFAOYSA-N 1 1 482.629 2.681 20 30 JFEDMO C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001286605351 1060712344 /nfs/dbraw/zinc/71/23/44/1060712344.db2.gz LGORAASRDZGIEB-UHFFFAOYSA-N 1 1 482.629 2.681 20 30 JFEDMO C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001286607012 1060716188 /nfs/dbraw/zinc/71/61/88/1060716188.db2.gz ALXIFWRERLUWEY-SFTDATJTSA-N 1 1 490.649 2.854 20 30 JFEDMO C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001286607506 1060717238 /nfs/dbraw/zinc/71/72/38/1060717238.db2.gz QNKNZCOGJDLPJJ-RBUKOAKNSA-N 1 1 475.663 2.750 20 30 JFEDMO C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001286607604 1060717816 /nfs/dbraw/zinc/71/78/16/1060717816.db2.gz SKHRQWIKDVGWRF-UHFFFAOYSA-N 1 1 450.591 2.605 20 30 JFEDMO C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286613166 1060726142 /nfs/dbraw/zinc/72/61/42/1060726142.db2.gz SHLNJPOQMGXUCP-WIOPSUGQSA-N 1 1 496.656 2.747 20 30 JFEDMO C=C(C)COCCn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001286613788 1060727578 /nfs/dbraw/zinc/72/75/78/1060727578.db2.gz FTNGLCYJVBVVKF-SQJMNOBHSA-N 1 1 477.650 2.601 20 30 JFEDMO C=C(Cn1c(COCC)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC001286618994 1060734756 /nfs/dbraw/zinc/73/47/56/1060734756.db2.gz LAUYKKPFKRUBNQ-XUZZJYLKSA-N 1 1 466.630 2.907 20 30 JFEDMO C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286623288 1060740620 /nfs/dbraw/zinc/74/06/20/1060740620.db2.gz FHOSDTLMACKRIE-ZHRRBRCNSA-N 1 1 489.020 2.704 20 30 JFEDMO C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286623308 1060741115 /nfs/dbraw/zinc/74/11/15/1060741115.db2.gz FLCLKDYQDJXASP-UGSOOPFHSA-N 1 1 496.841 2.777 20 30 JFEDMO C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286627382 1060746889 /nfs/dbraw/zinc/74/68/89/1060746889.db2.gz ZYADXQLWHUYEQO-IIBYNOLFSA-N 1 1 458.010 2.780 20 30 JFEDMO C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001286666670 1060779600 /nfs/dbraw/zinc/77/96/00/1060779600.db2.gz CVWDOUUJNXWENW-ROUUACIJSA-N 1 1 452.669 2.801 20 30 JFEDMO C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001286667936 1060780066 /nfs/dbraw/zinc/78/00/66/1060780066.db2.gz ODAGTUMBSHBINV-UHFFFAOYSA-N 1 1 461.632 2.719 20 30 JFEDMO C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286673041 1060787684 /nfs/dbraw/zinc/78/76/84/1060787684.db2.gz SZGYZGHELPLLHJ-CEMLEFRQSA-N 1 1 458.651 2.763 20 30 JFEDMO C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286689465 1060802536 /nfs/dbraw/zinc/80/25/36/1060802536.db2.gz QYLKWYCCJXUWPR-FQEVSTJZSA-N 1 1 457.648 2.733 20 30 JFEDMO C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286689466 1060802638 /nfs/dbraw/zinc/80/26/38/1060802638.db2.gz QYLKWYCCJXUWPR-HXUWFJFHSA-N 1 1 457.648 2.733 20 30 JFEDMO C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001286692178 1060803934 /nfs/dbraw/zinc/80/39/34/1060803934.db2.gz COYNUCXJTAFULL-SLFFLAALSA-N 1 1 452.669 2.945 20 30 JFEDMO C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001286709311 1060826431 /nfs/dbraw/zinc/82/64/31/1060826431.db2.gz PYFWNNLCODBXBA-UHFFFAOYSA-N 1 1 452.603 2.672 20 30 JFEDMO C=CCCOCCn1c(-c2ccccc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001286709311 1060826447 /nfs/dbraw/zinc/82/64/47/1060826447.db2.gz PYFWNNLCODBXBA-UHFFFAOYSA-N 1 1 452.603 2.672 20 30 JFEDMO C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001286709745 1060828126 /nfs/dbraw/zinc/82/81/26/1060828126.db2.gz CUIGDNZRKBZSBW-NRFANRHFSA-N 1 1 456.566 2.673 20 30 JFEDMO C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286712601 1060836284 /nfs/dbraw/zinc/83/62/84/1060836284.db2.gz DRXVESNHPCNELA-YKSBVNFPSA-N 1 1 484.620 2.590 20 30 JFEDMO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cc[nH+]c1C ZINC001286745327 1060869434 /nfs/dbraw/zinc/86/94/34/1060869434.db2.gz CLVVULYOEUYVFR-NRFANRHFSA-N 1 1 454.600 2.968 20 30 JFEDMO C=CCN(Cc1cccs1)c1nnc(-c2ccccn2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286748167 1060873552 /nfs/dbraw/zinc/87/35/52/1060873552.db2.gz RHZNJYLLXWHMAW-UHFFFAOYSA-N 1 1 451.600 2.758 20 30 JFEDMO C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001286765948 1060893569 /nfs/dbraw/zinc/89/35/69/1060893569.db2.gz LGHYMGYOYAUZHQ-NRFANRHFSA-N 1 1 464.408 2.721 20 30 JFEDMO C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCOCC1(C)C ZINC001286766127 1060894331 /nfs/dbraw/zinc/89/43/31/1060894331.db2.gz XVXFKTPGTOBKNN-UHFFFAOYSA-N 1 1 467.412 2.785 20 30 JFEDMO C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC[N@H+]1CCOCC1(C)C ZINC001286766127 1060894344 /nfs/dbraw/zinc/89/43/44/1060894344.db2.gz XVXFKTPGTOBKNN-UHFFFAOYSA-N 1 1 467.412 2.785 20 30 JFEDMO C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001286778639 1060916571 /nfs/dbraw/zinc/91/65/71/1060916571.db2.gz CKQZZIPFWCJQRZ-MZYLBHOOSA-N 1 1 466.630 2.669 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001286781910 1060927292 /nfs/dbraw/zinc/92/72/92/1060927292.db2.gz DOKCCXNMSKJWLT-UHFFFAOYSA-N 1 1 452.559 2.541 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001286781910 1060927302 /nfs/dbraw/zinc/92/73/02/1060927302.db2.gz DOKCCXNMSKJWLT-UHFFFAOYSA-N 1 1 452.559 2.541 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001286781993 1060927948 /nfs/dbraw/zinc/92/79/48/1060927948.db2.gz GXTCACKKHMBJMG-QUCCMNQESA-N 1 1 486.686 2.981 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001286782087 1060928038 /nfs/dbraw/zinc/92/80/38/1060928038.db2.gz JZTNTNPDZKTPJE-UONOGXRCSA-N 1 1 467.437 2.990 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001286783091 1060932022 /nfs/dbraw/zinc/93/20/22/1060932022.db2.gz GOZCAALILLZCDN-UHFFFAOYSA-N 1 1 491.434 2.939 20 30 JFEDMO C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC001286797294 1060975645 /nfs/dbraw/zinc/97/56/45/1060975645.db2.gz VAXIGESRLWSSET-WOJBJXKFSA-N 1 1 452.603 2.933 20 30 JFEDMO C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001286797513 1060976870 /nfs/dbraw/zinc/97/68/70/1060976870.db2.gz YKIWLEJAZAQXKH-IRLDBZIGSA-N 1 1 482.629 2.576 20 30 JFEDMO C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001286797515 1060977021 /nfs/dbraw/zinc/97/70/21/1060977021.db2.gz YKIWLEJAZAQXKH-UNMCSNQZSA-N 1 1 482.629 2.576 20 30 JFEDMO C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001286797669 1060977418 /nfs/dbraw/zinc/97/74/18/1060977418.db2.gz YTYJTSVKDLVJEF-OAQYLSRUSA-N 1 1 455.603 2.942 20 30 JFEDMO C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001286797669 1060977437 /nfs/dbraw/zinc/97/74/37/1060977437.db2.gz YTYJTSVKDLVJEF-OAQYLSRUSA-N 1 1 455.603 2.942 20 30 JFEDMO C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001286810630 1061001898 /nfs/dbraw/zinc/00/18/98/1061001898.db2.gz UDVDPOGEKSNBHZ-PZJWPPBQSA-N 1 1 465.664 2.616 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001286815990 1061021506 /nfs/dbraw/zinc/02/15/06/1061021506.db2.gz DFXNTKOLNGPWDX-SFHVURJKSA-N 1 1 494.061 2.889 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001286815990 1061021527 /nfs/dbraw/zinc/02/15/27/1061021527.db2.gz DFXNTKOLNGPWDX-SFHVURJKSA-N 1 1 494.061 2.889 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286818948 1061039248 /nfs/dbraw/zinc/03/92/48/1061039248.db2.gz UNIMITYFGDVVNL-HXUWFJFHSA-N 1 1 487.674 2.817 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001286823691 1061064382 /nfs/dbraw/zinc/06/43/82/1061064382.db2.gz XVOQHKVPGZKHJK-FQEVSTJZSA-N 1 1 457.644 2.932 20 30 JFEDMO C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286828424 1061076152 /nfs/dbraw/zinc/07/61/52/1061076152.db2.gz MSGBKFFREZVCEI-DENIHFKCSA-N 1 1 469.659 2.638 20 30 JFEDMO CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001286851316 1061182899 /nfs/dbraw/zinc/18/28/99/1061182899.db2.gz LXJXDAGUGWSFDN-UHFFFAOYSA-N 1 1 479.629 2.622 20 30 JFEDMO CC(=O)N1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001286851316 1061182906 /nfs/dbraw/zinc/18/29/06/1061182906.db2.gz LXJXDAGUGWSFDN-UHFFFAOYSA-N 1 1 479.629 2.622 20 30 JFEDMO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)C[C@@H]2C)CC1 ZINC001286871460 1061272687 /nfs/dbraw/zinc/27/26/87/1061272687.db2.gz OOUAKIYPFSLHOL-SQJMNOBHSA-N 1 1 493.656 2.748 20 30 JFEDMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001286902260 1061396586 /nfs/dbraw/zinc/39/65/86/1061396586.db2.gz MDRWIUHHCGBWEC-KXTRFFEISA-N 1 1 479.629 2.547 20 30 JFEDMO Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001289879539 1061564999 /nfs/dbraw/zinc/56/49/99/1061564999.db2.gz SJUZVTFEWOEFQO-NHCUHLMSSA-N 1 1 470.643 2.845 20 30 JFEDMO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001286943271 1061601195 /nfs/dbraw/zinc/60/11/95/1061601195.db2.gz ZRRAGLOQFJQLQP-UPVQGACJSA-N 1 1 479.629 2.526 20 30 JFEDMO CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001286954176 1061703863 /nfs/dbraw/zinc/70/38/63/1061703863.db2.gz HKRLUSMPSSZYAU-IBGZPJMESA-N 1 1 465.602 2.566 20 30 JFEDMO CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001294226114 1061738252 /nfs/dbraw/zinc/73/82/52/1061738252.db2.gz OGCVUYJDZSYGDJ-FQEVSTJZSA-N 1 1 455.582 2.851 20 30 JFEDMO CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001294226115 1061738329 /nfs/dbraw/zinc/73/83/29/1061738329.db2.gz OGCVUYJDZSYGDJ-HXUWFJFHSA-N 1 1 455.582 2.851 20 30 JFEDMO CC(C)n1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)C[NH+]2CCOCC2)c2ccccc2c1=O ZINC001286966464 1061740952 /nfs/dbraw/zinc/74/09/52/1061740952.db2.gz TWJYOXUWNUMVSP-PMACEKPBSA-N 1 1 492.628 2.800 20 30 JFEDMO Cc1ccc(-n2nc(CCCNC(=O)[C@]3([NH+](C)C)COc4ccccc4C3)c(C#N)c2N)cc1 ZINC001294274905 1061768877 /nfs/dbraw/zinc/76/88/77/1061768877.db2.gz ZJEQFHGLJXMEQB-AREMUKBSSA-N 1 1 458.566 2.619 20 30 JFEDMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001286984028 1061840218 /nfs/dbraw/zinc/84/02/18/1061840218.db2.gz ZPLOXQMBNWVYFL-ZIFCJYIRSA-N 1 1 467.599 2.534 20 30 JFEDMO CC(C)(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286986954 1061867233 /nfs/dbraw/zinc/86/72/33/1061867233.db2.gz YOQCUCQJTBMQSP-QFIPXVFZSA-N 1 1 479.629 2.528 20 30 JFEDMO Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290158440 1061900202 /nfs/dbraw/zinc/90/02/02/1061900202.db2.gz KHHYYOSWGWZAMZ-HSZRJFAPSA-N 1 1 463.630 2.860 20 30 JFEDMO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCSC1 ZINC001287034698 1061998130 /nfs/dbraw/zinc/99/81/30/1061998130.db2.gz SLKKESGXCJKKHQ-DEOSSOPVSA-N 1 1 454.644 2.929 20 30 JFEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C1 ZINC001294461217 1062010629 /nfs/dbraw/zinc/01/06/29/1062010629.db2.gz UOEWWUUEDQATRR-HXUWFJFHSA-N 1 1 451.575 2.827 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 ZINC001294505535 1062041581 /nfs/dbraw/zinc/04/15/81/1062041581.db2.gz ANCNEEHXBABVIV-MRXNPFEDSA-N 1 1 450.385 2.507 20 30 JFEDMO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001294507521 1062045564 /nfs/dbraw/zinc/04/55/64/1062045564.db2.gz SHVFAOCBHUUMPX-QHCPKHFHSA-N 1 1 451.619 2.850 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001294507521 1062045590 /nfs/dbraw/zinc/04/55/90/1062045590.db2.gz SHVFAOCBHUUMPX-QHCPKHFHSA-N 1 1 451.619 2.850 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294522495 1062057737 /nfs/dbraw/zinc/05/77/37/1062057737.db2.gz DBEVVLREGLRXMZ-UHFFFAOYSA-N 1 1 458.632 2.952 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001294522873 1062058662 /nfs/dbraw/zinc/05/86/62/1062058662.db2.gz OXTUQPVLWJZJEC-UHFFFAOYSA-N 1 1 459.602 2.589 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294523961 1062061013 /nfs/dbraw/zinc/06/10/13/1062061013.db2.gz JDICCGYBLRFEEL-QFIPXVFZSA-N 1 1 492.672 2.682 20 30 JFEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001294641929 1062163777 /nfs/dbraw/zinc/16/37/77/1062163777.db2.gz QRCPVOVQHNNAFY-DOTOQJQBSA-N 1 1 462.396 2.507 20 30 JFEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001294641936 1062163875 /nfs/dbraw/zinc/16/38/75/1062163875.db2.gz QRCPVOVQHNNAFY-WBVHZDCISA-N 1 1 462.396 2.507 20 30 JFEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294649181 1062191144 /nfs/dbraw/zinc/19/11/44/1062191144.db2.gz YXLMNHFURDNZQE-IFMALSPDSA-N 1 1 470.643 2.952 20 30 JFEDMO Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001290503485 1062299266 /nfs/dbraw/zinc/29/92/66/1062299266.db2.gz IBACQMFQXMLRKI-JOCHJYFZSA-N 1 1 476.585 2.851 20 30 JFEDMO CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001294994371 1062781296 /nfs/dbraw/zinc/78/12/96/1062781296.db2.gz WLGBCPPQEYLIPW-DEOSSOPVSA-N 1 1 479.629 2.766 20 30 JFEDMO CC(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001287433240 1062869373 /nfs/dbraw/zinc/86/93/73/1062869373.db2.gz ZENMLVNEOOQVNU-SFHVURJKSA-N 1 1 453.591 2.512 20 30 JFEDMO CC(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001287433240 1062869397 /nfs/dbraw/zinc/86/93/97/1062869397.db2.gz ZENMLVNEOOQVNU-SFHVURJKSA-N 1 1 453.591 2.512 20 30 JFEDMO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC[C@@H]1COCCO1 ZINC001287456666 1062894106 /nfs/dbraw/zinc/89/41/06/1062894106.db2.gz HSLQCXODEUCYHJ-HSZRJFAPSA-N 1 1 452.603 2.866 20 30 JFEDMO CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295175129 1062998749 /nfs/dbraw/zinc/99/87/49/1062998749.db2.gz UPXPAENXYBQMDM-SFTDATJTSA-N 1 1 470.643 2.951 20 30 JFEDMO CC(C)CCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001287599075 1062999367 /nfs/dbraw/zinc/99/93/67/1062999367.db2.gz SIFXMAHDCSFABJ-OAQYLSRUSA-N 1 1 478.439 2.879 20 30 JFEDMO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CCN1S(C)(=O)=O ZINC001291098236 1063061658 /nfs/dbraw/zinc/06/16/58/1063061658.db2.gz KFLIJCBYPWQUDM-PMACEKPBSA-N 1 1 485.658 2.551 20 30 JFEDMO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001291099921 1063066780 /nfs/dbraw/zinc/06/67/80/1063066780.db2.gz PGMNOPPUHVQPSF-WOJBJXKFSA-N 1 1 465.602 2.660 20 30 JFEDMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001291103621 1063081360 /nfs/dbraw/zinc/08/13/60/1063081360.db2.gz IBCGFXUBJDLEBT-BCHFMIIMSA-N 1 1 479.629 2.941 20 30 JFEDMO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001287762069 1063088438 /nfs/dbraw/zinc/08/84/38/1063088438.db2.gz YAEKRHRAKSUKQO-UHFFFAOYSA-N 1 1 470.643 2.952 20 30 JFEDMO CCN(CC)C(=O)CCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295305849 1063168067 /nfs/dbraw/zinc/16/80/67/1063168067.db2.gz MZYKGDFXQOMLCG-HHHXNRCGSA-N 1 1 493.656 2.748 20 30 JFEDMO C[C@H]1CCC[N@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001291137394 1063195562 /nfs/dbraw/zinc/19/55/62/1063195562.db2.gz PXPBVXRATLDNGN-FQEVSTJZSA-N 1 1 451.619 2.848 20 30 JFEDMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)C[C@H](C)O1 ZINC001291188556 1063304660 /nfs/dbraw/zinc/30/46/60/1063304660.db2.gz MGZVCWSJROTWOM-SAHWJRBASA-N 1 1 489.621 2.599 20 30 JFEDMO CC[NH+](CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 ZINC001295396537 1063382768 /nfs/dbraw/zinc/38/27/68/1063382768.db2.gz FBFBJPDSGHCJEI-TZIWHRDSSA-N 1 1 498.609 2.753 20 30 JFEDMO CC[NH+](CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001295538708 1063574191 /nfs/dbraw/zinc/57/41/91/1063574191.db2.gz HPWHXCMLYNJBCC-UHFFFAOYSA-N 1 1 486.580 2.996 20 30 JFEDMO CC[NH+](CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001295545872 1063580870 /nfs/dbraw/zinc/58/08/70/1063580870.db2.gz WAJNBWCFKYCLDQ-HSZRJFAPSA-N 1 1 451.619 2.850 20 30 JFEDMO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CCCO1 ZINC001291290391 1063663775 /nfs/dbraw/zinc/66/37/75/1063663775.db2.gz ZKGYFBFRGDBRQP-LJQANCHMSA-N 1 1 486.642 2.589 20 30 JFEDMO CCN(Cc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001295646486 1063688360 /nfs/dbraw/zinc/68/83/60/1063688360.db2.gz LNTLIRDRVGVRAQ-QHCPKHFHSA-N 1 1 452.584 2.883 20 30 JFEDMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001291306522 1063717943 /nfs/dbraw/zinc/71/79/43/1063717943.db2.gz ASCAPJCZCYDSIP-HXUWFJFHSA-N 1 1 479.629 2.621 20 30 JFEDMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001291306522 1063717955 /nfs/dbraw/zinc/71/79/55/1063717955.db2.gz ASCAPJCZCYDSIP-HXUWFJFHSA-N 1 1 479.629 2.621 20 30 JFEDMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001291306521 1063718031 /nfs/dbraw/zinc/71/80/31/1063718031.db2.gz ASCAPJCZCYDSIP-FQEVSTJZSA-N 1 1 479.629 2.621 20 30 JFEDMO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001291306521 1063718042 /nfs/dbraw/zinc/71/80/42/1063718042.db2.gz ASCAPJCZCYDSIP-FQEVSTJZSA-N 1 1 479.629 2.621 20 30 JFEDMO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1CC(F)(F)F ZINC001291306607 1063719082 /nfs/dbraw/zinc/71/90/82/1063719082.db2.gz CFIZCBSEVOWDJM-MSOLQXFVSA-N 1 1 477.535 2.610 20 30 JFEDMO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1CC(F)(F)F ZINC001291306607 1063719101 /nfs/dbraw/zinc/71/91/01/1063719101.db2.gz CFIZCBSEVOWDJM-MSOLQXFVSA-N 1 1 477.535 2.610 20 30 JFEDMO CC[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](C#N)C1)C1CC1 ZINC001295828408 1063838580 /nfs/dbraw/zinc/83/85/80/1063838580.db2.gz YGKKQPVQUUWUQR-CQSZACIVSA-N 1 1 451.394 2.982 20 30 JFEDMO CC[N@@H+](CCn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 ZINC001295828392 1063838653 /nfs/dbraw/zinc/83/86/53/1063838653.db2.gz YGKKQPVQUUWUQR-AWEZNQCLSA-N 1 1 451.394 2.982 20 30 JFEDMO CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001295834043 1063849316 /nfs/dbraw/zinc/84/93/16/1063849316.db2.gz NWUSNOURVJDVPS-NRFANRHFSA-N 1 1 481.601 2.595 20 30 JFEDMO CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001295834043 1063849329 /nfs/dbraw/zinc/84/93/29/1063849329.db2.gz NWUSNOURVJDVPS-NRFANRHFSA-N 1 1 481.601 2.595 20 30 JFEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(C)C ZINC001295833984 1063849410 /nfs/dbraw/zinc/84/94/10/1063849410.db2.gz LWWDMRQSCMXYMW-HXUWFJFHSA-N 1 1 484.612 2.924 20 30 JFEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001295835000 1063851151 /nfs/dbraw/zinc/85/11/51/1063851151.db2.gz ZQAQFACGPWQVIH-JOCHJYFZSA-N 1 1 492.672 2.680 20 30 JFEDMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001295877751 1063919271 /nfs/dbraw/zinc/91/92/71/1063919271.db2.gz KLYNUEIMSMJJTH-OAQYLSRUSA-N 1 1 456.616 2.705 20 30 JFEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H]1C ZINC001296012110 1064072512 /nfs/dbraw/zinc/07/25/12/1064072512.db2.gz RKAGMDZJEWFZJU-WFHKKQPCSA-N 1 1 493.612 2.611 20 30 JFEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296012439 1064073218 /nfs/dbraw/zinc/07/32/18/1064073218.db2.gz STACESSPSHKDIY-RTBURBONSA-N 1 1 467.618 2.810 20 30 JFEDMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291568422 1064095922 /nfs/dbraw/zinc/09/59/22/1064095922.db2.gz BMVHJIOTSUDJKP-NRFANRHFSA-N 1 1 479.629 2.624 20 30 JFEDMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291610883 1064148719 /nfs/dbraw/zinc/14/87/19/1064148719.db2.gz RHGBTWPHNOLMJS-QPPBQGQZSA-N 1 1 492.672 2.933 20 30 JFEDMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001296087953 1064157313 /nfs/dbraw/zinc/15/73/13/1064157313.db2.gz PIQBDKQVOHLOAG-FCHUYYIVSA-N 1 1 465.602 2.628 20 30 JFEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296127646 1064221937 /nfs/dbraw/zinc/22/19/37/1064221937.db2.gz WICJTGYHJCIBGG-VQTJNVASSA-N 1 1 451.619 2.846 20 30 JFEDMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296130318 1064223768 /nfs/dbraw/zinc/22/37/68/1064223768.db2.gz CQUBBZQFSGVPSA-OAQYLSRUSA-N 1 1 458.614 2.798 20 30 JFEDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001291768794 1064251203 /nfs/dbraw/zinc/25/12/03/1064251203.db2.gz ZWZHOEVTNNFROH-JXFKEZNVSA-N 1 1 450.547 2.816 20 30 JFEDMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC(C)C)C2)CC1 ZINC001296179337 1064308699 /nfs/dbraw/zinc/30/86/99/1064308699.db2.gz FKOZNSPFLGCJLQ-HSZRJFAPSA-N 1 1 451.619 2.848 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296190360 1064337787 /nfs/dbraw/zinc/33/77/87/1064337787.db2.gz CKGJMPCCHVMDBF-UUOWRZLLSA-N 1 1 475.563 2.863 20 30 JFEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190357 1064337952 /nfs/dbraw/zinc/33/79/52/1064337952.db2.gz CKGJMPCCHVMDBF-HOYKHHGWSA-N 1 1 475.563 2.863 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296196394 1064366480 /nfs/dbraw/zinc/36/64/80/1064366480.db2.gz SVCQEFYQZBREHP-FCHUYYIVSA-N 1 1 483.686 2.881 20 30 JFEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001296196395 1064366628 /nfs/dbraw/zinc/36/66/28/1064366628.db2.gz SVCQEFYQZBREHP-FGZHOGPDSA-N 1 1 483.686 2.881 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296196627 1064368751 /nfs/dbraw/zinc/36/87/51/1064368751.db2.gz VMDJKDIKMBZKRF-YZUZCNPQSA-N 1 1 465.646 2.952 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296196623 1064368785 /nfs/dbraw/zinc/36/87/85/1064368785.db2.gz VMDJKDIKMBZKRF-HFMPRLQTSA-N 1 1 465.646 2.952 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296196621 1064368901 /nfs/dbraw/zinc/36/89/01/1064368901.db2.gz VMDJKDIKMBZKRF-AWRGLXIESA-N 1 1 465.646 2.952 20 30 JFEDMO CC[NH+]1CCN(CCCCn2c([C@@H]3COc4ccccc4O3)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001296203018 1064380656 /nfs/dbraw/zinc/38/06/56/1064380656.db2.gz KIEOZQZFZGZSLM-OFNKIYASSA-N 1 1 467.618 2.804 20 30 JFEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296206456 1064396432 /nfs/dbraw/zinc/39/64/32/1064396432.db2.gz RLOQQZBXRPAZLU-RUZDIDTESA-N 1 1 451.619 2.850 20 30 JFEDMO CC[NH+]1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001296206908 1064397157 /nfs/dbraw/zinc/39/71/57/1064397157.db2.gz VGKGEHXPDHYHKO-JOCHJYFZSA-N 1 1 451.619 2.706 20 30 JFEDMO 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CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001293545117 1066064255 /nfs/dbraw/zinc/06/42/55/1066064255.db2.gz WWIVPGDACHIENH-JTHBVZDNSA-N 1 1 451.619 2.706 20 30 JFEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[N@H+](CC)C2)CCN1CCOC ZINC001293545115 1066064302 /nfs/dbraw/zinc/06/43/02/1066064302.db2.gz WWIVPGDACHIENH-GMAHTHKFSA-N 1 1 451.619 2.706 20 30 JFEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[N@@H+](CC)C2)CCN1CCOC ZINC001293545115 1066064308 /nfs/dbraw/zinc/06/43/08/1066064308.db2.gz WWIVPGDACHIENH-GMAHTHKFSA-N 1 1 451.619 2.706 20 30 JFEDMO CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001293722710 1066182556 /nfs/dbraw/zinc/18/25/56/1066182556.db2.gz WDNIJJPYYMPYOH-ONEGZZNKSA-N 1 1 477.613 2.829 20 30 JFEDMO CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001293722710 1066182560 /nfs/dbraw/zinc/18/25/60/1066182560.db2.gz WDNIJJPYYMPYOH-ONEGZZNKSA-N 1 1 477.613 2.829 20 30 JFEDMO CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001293834488 1066339094 /nfs/dbraw/zinc/33/90/94/1066339094.db2.gz JIVFOLKHVVJSPC-RXFWQSSRSA-N 1 1 482.629 2.969 20 30 JFEDMO CCC[C@@H](C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001293866929 1066379179 /nfs/dbraw/zinc/37/91/79/1066379179.db2.gz IYYUQTQEZBEAIY-IFMALSPDSA-N 1 1 479.629 2.956 20 30 JFEDMO CCCC(O)(CCC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001294006562 1066504967 /nfs/dbraw/zinc/50/49/67/1066504967.db2.gz JASLIWDDLCYFJI-OAQYLSRUSA-N 1 1 468.602 2.581 20 30 JFEDMO CCCC(O)(CCC)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001294006562 1066504980 /nfs/dbraw/zinc/50/49/80/1066504980.db2.gz JASLIWDDLCYFJI-OAQYLSRUSA-N 1 1 468.602 2.581 20 30 JFEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1F ZINC001164738960 720705294 /nfs/dbraw/zinc/70/52/94/720705294.db2.gz LPXUJVUPUYLEKX-HOTGVXAUSA-N 1 1 451.893 2.940 20 30 JFEDMO 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C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001286288527 1060045410 /nfs/dbraw/zinc/04/54/10/1060045410.db2.gz HPFQFPRBENHXND-IBGZPJMESA-N 1 1 477.613 2.805 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001286288527 1060045428 /nfs/dbraw/zinc/04/54/28/1060045428.db2.gz HPFQFPRBENHXND-IBGZPJMESA-N 1 1 477.613 2.805 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCC[NH+]1CCN(CC)CC1 ZINC001286288504 1060045458 /nfs/dbraw/zinc/04/54/58/1060045458.db2.gz HHHKPXMDDKEAIO-NRFANRHFSA-N 1 1 490.656 2.721 20 30 JFEDMO C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001286300811 1060052949 /nfs/dbraw/zinc/05/29/49/1060052949.db2.gz XUGIEBWHOAWBEM-VGSWGCGISA-N 1 1 450.612 2.707 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001286308992 1060062651 /nfs/dbraw/zinc/06/26/51/1060062651.db2.gz NEACXZLUJHCPGQ-JOCHJYFZSA-N 1 1 466.630 2.989 20 30 JFEDMO 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/nfs/dbraw/zinc/07/52/22/1066075222.db2.gz MUOWQUNHTWYGOW-XZOQPEGZSA-N 1 1 451.619 2.848 20 30 JFEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@H+]2CC)CCN1CCOC ZINC001293560988 1066075236 /nfs/dbraw/zinc/07/52/36/1066075236.db2.gz MUOWQUNHTWYGOW-XZOQPEGZSA-N 1 1 451.619 2.848 20 30 JFEDMO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001293638994 1066156963 /nfs/dbraw/zinc/15/69/63/1066156963.db2.gz NDCSYSPVVWJECG-FPOVZHCZSA-N 1 1 468.602 2.843 20 30 JFEDMO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCOCC2(C)C)C[C@H](C)O1 ZINC001293638994 1066156965 /nfs/dbraw/zinc/15/69/65/1066156965.db2.gz NDCSYSPVVWJECG-FPOVZHCZSA-N 1 1 468.602 2.843 20 30 JFEDMO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCN(CC)CC2)C[C@@H](C)O1 ZINC001293640914 1066157544 /nfs/dbraw/zinc/15/75/44/1066157544.db2.gz WHLOOKJEUADDRQ-FYYLOGMGSA-N 1 1 481.645 2.760 20 30 JFEDMO C[C@@H]1C[C@@H](N(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001293664539 1066169341 /nfs/dbraw/zinc/16/93/41/1066169341.db2.gz XGYMFJWXXZADOP-QUCCMNQESA-N 1 1 454.596 2.627 20 30 JFEDMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)cc2)CC1 ZINC001294064062 1066534930 /nfs/dbraw/zinc/53/49/30/1066534930.db2.gz HNCOTOHTQSYGKU-FQEVSTJZSA-N 1 1 451.546 2.789 20 30 JFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164851505 720863410 /nfs/dbraw/zinc/86/34/10/720863410.db2.gz AAJDFPYIRIWWRO-YOEHRIQHSA-N 1 1 472.920 2.502 20 30 JFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164888620 721399203 /nfs/dbraw/zinc/39/92/03/721399203.db2.gz KMXGDWAWPQYBHC-JPYJTQIMSA-N 1 1 461.994 2.549 20 30 JFEDMO COc1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(C#N)c(Cl)n1 ZINC001164886487 721421316 /nfs/dbraw/zinc/42/13/16/721421316.db2.gz JEEWKRODHJRVIH-KKSFZXQISA-N 1 1 469.964 2.926 20 30 JFEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164896608 721426043 /nfs/dbraw/zinc/42/60/43/721426043.db2.gz ROWMQGUQNKXPCU-NLFFAJNJSA-N 1 1 454.619 2.703 20 30 JFEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1 ZINC001164892788 721448401 /nfs/dbraw/zinc/44/84/01/721448401.db2.gz YFRPRKLUTLIUCM-YKSBVNFPSA-N 1 1 450.543 2.780 20 30 JFEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804096 721579005 /nfs/dbraw/zinc/57/90/05/721579005.db2.gz ILJMUVPHSLLUDU-UWSZBUKDSA-N 1 1 472.549 2.673 20 30 JFEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804096 721579006 /nfs/dbraw/zinc/57/90/06/721579006.db2.gz ILJMUVPHSLLUDU-UWSZBUKDSA-N 1 1 472.549 2.673 20 30 JFEDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1 ZINC001164934594 721879683 /nfs/dbraw/zinc/87/96/83/721879683.db2.gz SGHZFUHYZDOSGM-SMIHKQSGSA-N 1 1 490.633 2.883 20 30 JFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983113 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1060077227 /nfs/dbraw/zinc/07/72/27/1060077227.db2.gz HPTRYKHWCGLNEQ-YKSBVNFPSA-N 1 1 459.598 2.609 20 30 JFEDMO C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286316275 1060077295 /nfs/dbraw/zinc/07/72/95/1060077295.db2.gz HPTRYKHWCGLNEQ-RDPSFJRHSA-N 1 1 459.598 2.609 20 30 JFEDMO C#CCCCn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286342473 1060097686 /nfs/dbraw/zinc/09/76/86/1060097686.db2.gz QUTWQKGBAXRLPE-QPPBQGQZSA-N 1 1 494.640 2.973 20 30 JFEDMO C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286342286 1060097969 /nfs/dbraw/zinc/09/79/69/1060097969.db2.gz PHSRVJWNFWHLGN-JXALWOEJSA-N 1 1 482.604 2.959 20 30 JFEDMO C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001286349626 1060106219 /nfs/dbraw/zinc/10/62/19/1060106219.db2.gz LAQOTWAJPWWOKX-HSZRJFAPSA-N 1 1 469.655 2.942 20 30 JFEDMO C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001286358632 1060118001 /nfs/dbraw/zinc/11/80/01/1060118001.db2.gz ZAOPMOPJUBHGDN-UHFFFAOYSA-N 1 1 463.586 2.725 20 30 JFEDMO C#CCN(c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CC[N@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286382408 1060155265 /nfs/dbraw/zinc/15/52/65/1060155265.db2.gz JCYFPWVBYISGDF-XLIONFOSSA-N 1 1 462.019 2.567 20 30 JFEDMO C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286383975 1060165603 /nfs/dbraw/zinc/16/56/03/1060165603.db2.gz FVQCRRBAQKABOU-VXKWHMMOSA-N 1 1 455.628 2.693 20 30 JFEDMO C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286383975 1060165608 /nfs/dbraw/zinc/16/56/08/1060165608.db2.gz FVQCRRBAQKABOU-VXKWHMMOSA-N 1 1 455.628 2.693 20 30 JFEDMO C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCC[N@@H+]1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286387566 1060201963 /nfs/dbraw/zinc/20/19/63/1060201963.db2.gz SISHHYLJIHDESZ-YADHBBJMSA-N 1 1 470.643 2.621 20 30 JFEDMO C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCC[N@@H+]1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286387565 1060202118 /nfs/dbraw/zinc/20/21/18/1060202118.db2.gz SISHHYLJIHDESZ-VXKWHMMOSA-N 1 1 470.643 2.621 20 30 JFEDMO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC[N@H+]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001286387973 1060205516 /nfs/dbraw/zinc/20/55/16/1060205516.db2.gz JHQWJGGQWRGHST-IRLDBZIGSA-N 1 1 485.654 2.845 20 30 JFEDMO C#CCN(c1nnc(-c2cccc3cccnc32)n1CCC[N@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286388257 1060209692 /nfs/dbraw/zinc/20/96/92/1060209692.db2.gz MJWIMWUUHMXIIM-OAQYLSRUSA-N 1 1 480.638 2.850 20 30 JFEDMO C#CCN(c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001286389226 1060219715 /nfs/dbraw/zinc/21/97/15/1060219715.db2.gz ZMMZJXQOSORLOH-VXKWHMMOSA-N 1 1 455.628 2.619 20 30 JFEDMO C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286389908 1060222418 /nfs/dbraw/zinc/22/24/18/1060222418.db2.gz SNMHSNSTLPQUAO-FYYLOGMGSA-N 1 1 478.622 2.578 20 30 JFEDMO C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286390373 1060224657 /nfs/dbraw/zinc/22/46/57/1060224657.db2.gz AMMGLIDUWLXZIA-WPFOTENUSA-N 1 1 483.682 2.810 20 30 JFEDMO C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCC[N@@H+]1CCC)[C@H]1CCS(=O)(=O)C1 ZINC001286391780 1060234070 /nfs/dbraw/zinc/23/40/70/1060234070.db2.gz DRBRFQFCBJYUPZ-PKTZIBPZSA-N 1 1 487.645 2.899 20 30 JFEDMO C#CCN(c1nnc(CCCc2ccccc2)n1C[C@@H]1CCCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286391978 1060235848 /nfs/dbraw/zinc/23/58/48/1060235848.db2.gz KLIAMZXHKAGKGJ-BJKOFHAPSA-N 1 1 483.682 2.955 20 30 JFEDMO C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[NH+]1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001286393082 1060241902 /nfs/dbraw/zinc/24/19/02/1060241902.db2.gz JKVMZACLGDPMKZ-IBGZPJMESA-N 1 1 491.608 2.506 20 30 JFEDMO C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCC[N@@H+]1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286394999 1060252633 /nfs/dbraw/zinc/25/26/33/1060252633.db2.gz YNVAUJVGVGAFGH-GOTSBHOMSA-N 1 1 484.670 2.545 20 30 JFEDMO 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20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286405941 1060288945 /nfs/dbraw/zinc/28/89/45/1060288945.db2.gz LVGQPCWHFHPCPW-NRFANRHFSA-N 1 1 452.990 2.614 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001286408663 1060292397 /nfs/dbraw/zinc/29/23/97/1060292397.db2.gz IXIBACADNWEZKE-OAQYLSRUSA-N 1 1 471.609 2.868 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCCCn1cc[nH+]c1C ZINC001286408796 1060293482 /nfs/dbraw/zinc/29/34/82/1060293482.db2.gz LPCRETCYLBHSSK-UHFFFAOYSA-N 1 1 468.565 2.733 20 30 JFEDMO C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001286413854 1060299572 /nfs/dbraw/zinc/29/95/72/1060299572.db2.gz OPZRGIOAVKTORV-UHFFFAOYSA-N 1 1 484.645 2.576 20 30 JFEDMO C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001286413854 1060299582 /nfs/dbraw/zinc/29/95/82/1060299582.db2.gz OPZRGIOAVKTORV-UHFFFAOYSA-N 1 1 484.645 2.576 20 30 JFEDMO 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C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286546102 1060594449 /nfs/dbraw/zinc/59/44/49/1060594449.db2.gz GGXUBTCBTXRJLL-QZNHQXDQSA-N 1 1 488.677 2.726 20 30 JFEDMO C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001286547251 1060596878 /nfs/dbraw/zinc/59/68/78/1060596878.db2.gz FXSPITLQLJIYDE-AOIWGVFYSA-N 1 1 484.439 2.600 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286547629 1060597964 /nfs/dbraw/zinc/59/79/64/1060597964.db2.gz PGXBGIAEBMTSFE-MALNDZBISA-N 1 1 458.651 2.762 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001286553068 1060617116 /nfs/dbraw/zinc/61/71/16/1060617116.db2.gz CNRZAXDWFJEREX-BDTNDASRSA-N 1 1 461.651 2.948 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001286555748 1060623624 /nfs/dbraw/zinc/62/36/24/1060623624.db2.gz YTOIUPIFLHMWRI-JFYQVNSESA-N 1 1 477.650 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2.738 20 30 JFEDMO C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001286584598 1060675760 /nfs/dbraw/zinc/67/57/60/1060675760.db2.gz IGYJWKMFFLWQKQ-HSZRJFAPSA-N 1 1 458.994 2.739 20 30 JFEDMO C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286593089 1060693073 /nfs/dbraw/zinc/69/30/73/1060693073.db2.gz IFVAMSRRCDOHLV-BGYRXZFFSA-N 1 1 454.623 2.574 20 30 JFEDMO C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286593089 1060693080 /nfs/dbraw/zinc/69/30/80/1060693080.db2.gz IFVAMSRRCDOHLV-BGYRXZFFSA-N 1 1 454.623 2.574 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604254 1060708377 /nfs/dbraw/zinc/70/83/77/1060708377.db2.gz HKFSJVQOGAWAOF-PXDATVDWSA-N 1 1 496.656 2.925 20 30 JFEDMO C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286607462 1060716877 /nfs/dbraw/zinc/71/68/77/1060716877.db2.gz HCVPDBLHBCRFIX-MZKRTTBSSA-N 1 1 471.602 2.929 20 30 JFEDMO C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286607462 1060716891 /nfs/dbraw/zinc/71/68/91/1060716891.db2.gz HCVPDBLHBCRFIX-MZKRTTBSSA-N 1 1 471.602 2.929 20 30 JFEDMO C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001286608663 1060718972 /nfs/dbraw/zinc/71/89/72/1060718972.db2.gz UCRNQDMLGHKVNV-DENIHFKCSA-N 1 1 457.575 2.540 20 30 JFEDMO C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001286615652 1060730540 /nfs/dbraw/zinc/73/05/40/1060730540.db2.gz SNZIEBJBECOZSG-AZUAARDMSA-N 1 1 472.659 2.912 20 30 JFEDMO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001286619568 1060735322 /nfs/dbraw/zinc/73/53/22/1060735322.db2.gz BQQJZVWJIQAWRG-BZSNNMDCSA-N 1 1 459.060 2.732 20 30 JFEDMO C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001286621092 1060737922 /nfs/dbraw/zinc/73/79/22/1060737922.db2.gz ZRKIKWUNQDGUDU-IEBWSBKVSA-N 1 1 467.039 2.599 20 30 JFEDMO C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286622111 1060739047 /nfs/dbraw/zinc/73/90/47/1060739047.db2.gz CVMHJGOZROZXFM-QRWLVFNGSA-N 1 1 473.965 2.595 20 30 JFEDMO C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001286624099 1060742259 /nfs/dbraw/zinc/74/22/59/1060742259.db2.gz SAYFBLZXASIGLJ-LJQANCHMSA-N 1 1 461.010 2.931 20 30 JFEDMO C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286626322 1060744209 /nfs/dbraw/zinc/74/42/09/1060744209.db2.gz RZHFTQACJXHHAL-OXJNMPFZSA-N 1 1 489.020 2.704 20 30 JFEDMO C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001286626440 1060744855 /nfs/dbraw/zinc/74/48/55/1060744855.db2.gz WNTHKUFWJIPCQM-GOSISDBHSA-N 1 1 461.010 2.931 20 30 JFEDMO C=CC1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286665018 1060777548 /nfs/dbraw/zinc/77/75/48/1060777548.db2.gz OWTOEONFXUKFKV-JOCHJYFZSA-N 1 1 451.663 2.995 20 30 JFEDMO C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286674908 1060788904 /nfs/dbraw/zinc/78/89/04/1060788904.db2.gz KAZUTQFWJAIYCM-IBGZPJMESA-N 1 1 499.685 2.615 20 30 JFEDMO C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001286683412 1060796613 /nfs/dbraw/zinc/79/66/13/1060796613.db2.gz QJCUPFKILNNKLE-LJQANCHMSA-N 1 1 453.591 2.971 20 30 JFEDMO C=CCCCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286689093 1060801901 /nfs/dbraw/zinc/80/19/01/1060801901.db2.gz JEWQDVWQLORGMI-OFNKIYASSA-N 1 1 451.619 2.609 20 30 JFEDMO C=CCCCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286689092 1060801931 /nfs/dbraw/zinc/80/19/31/1060801931.db2.gz JEWQDVWQLORGMI-NZQKXSOJSA-N 1 1 451.619 2.609 20 30 JFEDMO C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286708649 1060825001 /nfs/dbraw/zinc/82/50/01/1060825001.db2.gz RMRCFKVHOBQSSN-OFVILXPXSA-N 1 1 491.640 2.788 20 30 JFEDMO C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286711282 1060831918 /nfs/dbraw/zinc/83/19/18/1060831918.db2.gz LUPXIYOVNPBUCR-UHFFFAOYSA-N 1 1 460.586 2.855 20 30 JFEDMO C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001286715908 1060840379 /nfs/dbraw/zinc/84/03/79/1060840379.db2.gz XTYRCGDTSLAQBK-FQEVSTJZSA-N 1 1 461.010 2.841 20 30 JFEDMO C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CC[NH+](CC)CC1 ZINC001286727320 1060848386 /nfs/dbraw/zinc/84/83/86/1060848386.db2.gz PHHJBAYYHHKGLY-OAQYLSRUSA-N 1 1 491.681 2.626 20 30 JFEDMO C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001286745420 1060869306 /nfs/dbraw/zinc/86/93/06/1060869306.db2.gz VUDTYNLKDHQGGT-JWQCQUIFSA-N 1 1 473.593 2.717 20 30 JFEDMO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001286746343 1060871933 /nfs/dbraw/zinc/87/19/33/1060871933.db2.gz VYWFPKIJTJPZMQ-JTHBVZDNSA-N 1 1 487.670 2.874 20 30 JFEDMO C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001286767781 1060897568 /nfs/dbraw/zinc/89/75/68/1060897568.db2.gz FWMXGVZRGINLAH-HXUWFJFHSA-N 1 1 489.690 2.997 20 30 JFEDMO C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001286779173 1060918748 /nfs/dbraw/zinc/91/87/48/1060918748.db2.gz PGHVOPQEPZMMHX-MDNUFGMLSA-N 1 1 469.630 2.945 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001286783838 1060935395 /nfs/dbraw/zinc/93/53/95/1060935395.db2.gz NGRGLGPVUZZECI-RBUKOAKNSA-N 1 1 470.618 2.962 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001286784063 1060936462 /nfs/dbraw/zinc/93/64/62/1060936462.db2.gz VQDXJVOAVWHCJA-UHFFFAOYSA-N 1 1 468.602 2.719 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001286821708 1061053627 /nfs/dbraw/zinc/05/36/27/1061053627.db2.gz STQMEPLZHLXEFH-UHFFFAOYSA-N 1 1 480.638 2.577 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001286821708 1061053635 /nfs/dbraw/zinc/05/36/35/1061053635.db2.gz STQMEPLZHLXEFH-UHFFFAOYSA-N 1 1 480.638 2.577 20 30 JFEDMO C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001286823833 1061065125 /nfs/dbraw/zinc/06/51/25/1061065125.db2.gz QFKJIFNTASMXQD-HXUWFJFHSA-N 1 1 456.616 2.587 20 30 JFEDMO C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001286823833 1061065136 /nfs/dbraw/zinc/06/51/36/1061065136.db2.gz QFKJIFNTASMXQD-HXUWFJFHSA-N 1 1 456.616 2.587 20 30 JFEDMO C=CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286826225 1061073187 /nfs/dbraw/zinc/07/31/87/1061073187.db2.gz AOQJNJKBQJFURY-SFHVURJKSA-N 1 1 458.588 2.931 20 30 JFEDMO C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286830838 1061078847 /nfs/dbraw/zinc/07/88/47/1061078847.db2.gz VKHJSZNOSXAMAO-UGKGYDQZSA-N 1 1 469.659 2.638 20 30 JFEDMO C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001286833111 1061083352 /nfs/dbraw/zinc/08/33/52/1061083352.db2.gz VOMCOGLVRHZKPE-FQEVSTJZSA-N 1 1 459.664 2.764 20 30 JFEDMO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001286844191 1061129531 /nfs/dbraw/zinc/12/95/31/1061129531.db2.gz NBTIPMCHQIHLNO-UHFFFAOYSA-N 1 1 453.591 2.516 20 30 JFEDMO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC001289721807 1061329611 /nfs/dbraw/zinc/32/96/11/1061329611.db2.gz RTSALFFLYNYKRB-PXNSSMCTSA-N 1 1 453.591 2.854 20 30 JFEDMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286906937 1061433745 /nfs/dbraw/zinc/43/37/45/1061433745.db2.gz OXSHLFRMHBKNTA-SELNLUPBSA-N 1 1 479.629 2.809 20 30 JFEDMO Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001289828967 1061505222 /nfs/dbraw/zinc/50/52/22/1061505222.db2.gz RIWHAFDPGOSYQJ-FUPPJEDESA-N 1 1 468.602 2.702 20 30 JFEDMO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N)[NH+]1CCN(c2ccccc2)CC1 ZINC001286958752 1061726120 /nfs/dbraw/zinc/72/61/20/1061726120.db2.gz BLEUJELCLZCYSK-NHCUHLMSSA-N 1 1 487.612 2.732 20 30 JFEDMO C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286958754 1061726737 /nfs/dbraw/zinc/72/67/37/1061726737.db2.gz BLEUJELCLZCYSK-SFTDATJTSA-N 1 1 487.612 2.732 20 30 JFEDMO C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001286960393 1061732378 /nfs/dbraw/zinc/73/23/78/1061732378.db2.gz MZCPECDTVWHKAW-LJQANCHMSA-N 1 1 466.590 2.556 20 30 JFEDMO CCCC[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001294228098 1061742467 /nfs/dbraw/zinc/74/24/67/1061742467.db2.gz AOVVQCUBRNHOBG-CJFMBICVSA-N 1 1 468.602 2.845 20 30 JFEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294309949 1061800813 /nfs/dbraw/zinc/80/08/13/1061800813.db2.gz DEJWPQGYGKSZQR-QFIPXVFZSA-N 1 1 485.658 2.553 20 30 JFEDMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001286981862 1061822383 /nfs/dbraw/zinc/82/23/83/1061822383.db2.gz LMLVHSJTBQYNEC-XZOQPEGZSA-N 1 1 493.656 2.795 20 30 JFEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)C1 ZINC001294460832 1062010061 /nfs/dbraw/zinc/01/00/61/1062010061.db2.gz MDEKSTGCTZMNJH-RBBKRZOGSA-N 1 1 451.619 2.706 20 30 JFEDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001287042176 1062011899 /nfs/dbraw/zinc/01/18/99/1062011899.db2.gz BZZGOCIOYLOYIU-HXUWFJFHSA-N 1 1 470.643 2.952 20 30 JFEDMO CC(C)(C)[N@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 ZINC001287046486 1062028903 /nfs/dbraw/zinc/02/89/03/1062028903.db2.gz RQFSESKLRZCPFI-QFIPXVFZSA-N 1 1 468.602 2.845 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001294527938 1062064265 /nfs/dbraw/zinc/06/42/65/1062064265.db2.gz XDEYCTAFDQLSLG-UHFFFAOYSA-N 1 1 497.051 2.966 20 30 JFEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294649183 1062191088 /nfs/dbraw/zinc/19/10/88/1062191088.db2.gz YXLMNHFURDNZQE-RBBKRZOGSA-N 1 1 470.643 2.952 20 30 JFEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O ZINC001294699648 1062264365 /nfs/dbraw/zinc/26/43/65/1062264365.db2.gz PEFNQNSBOKZSRW-OAQYLSRUSA-N 1 1 458.632 2.952 20 30 JFEDMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H](C)C#N)cn1 ZINC001290504341 1062301192 /nfs/dbraw/zinc/30/11/92/1062301192.db2.gz SCDMCQXPLSXGSL-QGZVFWFLSA-N 1 1 490.593 2.882 20 30 JFEDMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H](C)C#N)cn1 ZINC001290504340 1062301423 /nfs/dbraw/zinc/30/14/23/1062301423.db2.gz SCDMCQXPLSXGSL-KRWDZBQOSA-N 1 1 490.593 2.882 20 30 JFEDMO Cc1[nH+]ccn1CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N ZINC001290510531 1062308406 /nfs/dbraw/zinc/30/84/06/1062308406.db2.gz DEUBFZWAEWSSRM-QGZVFWFLSA-N 1 1 470.603 2.529 20 30 JFEDMO CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001294741112 1062326641 /nfs/dbraw/zinc/32/66/41/1062326641.db2.gz VIFZVVSZYWVZRQ-NRFANRHFSA-N 1 1 479.629 2.909 20 30 JFEDMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001287120976 1062365809 /nfs/dbraw/zinc/36/58/09/1062365809.db2.gz SZXJNDAVEUXTQV-QFIPXVFZSA-N 1 1 477.613 2.732 20 30 JFEDMO Cc1nn(C)c(N2CCN(c3nnc(CC4CCCC4)n3CC[N@H+](C)C(C)C)CC2)c1C#N ZINC001290576290 1062379328 /nfs/dbraw/zinc/37/93/28/1062379328.db2.gz CUPRONGCJNZTHW-UHFFFAOYSA-N 1 1 453.639 2.591 20 30 JFEDMO CCCNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001294813570 1062488952 /nfs/dbraw/zinc/48/89/52/1062488952.db2.gz TWHRGFQZTIADPT-FGZHOGPDSA-N 1 1 479.629 2.956 20 30 JFEDMO CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001287150399 1062520394 /nfs/dbraw/zinc/52/03/94/1062520394.db2.gz PANNNTUYHCSUME-WIOPSUGQSA-N 1 1 452.603 2.773 20 30 JFEDMO CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287154401 1062535546 /nfs/dbraw/zinc/53/55/46/1062535546.db2.gz UZWJUIXBJDZULU-OHUGHZGNSA-N 1 1 470.618 2.681 20 30 JFEDMO CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287154401 1062535567 /nfs/dbraw/zinc/53/55/67/1062535567.db2.gz UZWJUIXBJDZULU-OHUGHZGNSA-N 1 1 470.618 2.681 20 30 JFEDMO N#Cc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)CC2=O)cc1Cl ZINC001290718765 1062651030 /nfs/dbraw/zinc/65/10/30/1062651030.db2.gz VDPSORBQNQJPND-LJQANCHMSA-N 1 1 451.958 2.503 20 30 JFEDMO CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287208785 1062656077 /nfs/dbraw/zinc/65/60/77/1062656077.db2.gz ZGVSCZWGJAFVNG-DEOSSOPVSA-N 1 1 492.672 2.933 20 30 JFEDMO CC(C)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287208786 1062656125 /nfs/dbraw/zinc/65/61/25/1062656125.db2.gz ZGVSCZWGJAFVNG-XMMPIXPASA-N 1 1 492.672 2.933 20 30 JFEDMO 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ZINC001286270979 1060029165 /nfs/dbraw/zinc/02/91/65/1060029165.db2.gz PLYAQRWQYFNFTC-UXHICEINSA-N 1 1 473.581 2.652 20 30 JFEDMO C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001286270979 1060029183 /nfs/dbraw/zinc/02/91/83/1060029183.db2.gz PLYAQRWQYFNFTC-UXHICEINSA-N 1 1 473.581 2.652 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001286270972 1060029320 /nfs/dbraw/zinc/02/93/20/1060029320.db2.gz PLYAQRWQYFNFTC-PMACEKPBSA-N 1 1 473.581 2.652 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001286270972 1060029337 /nfs/dbraw/zinc/02/93/37/1060029337.db2.gz PLYAQRWQYFNFTC-PMACEKPBSA-N 1 1 473.581 2.652 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCOCC1 ZINC001286298450 1060051185 /nfs/dbraw/zinc/05/11/85/1060051185.db2.gz JWGFENFGVFIWIY-VQTJNVASSA-N 1 1 460.623 2.573 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001286303691 1060055439 /nfs/dbraw/zinc/05/54/39/1060055439.db2.gz RZZWWIKAVZNNBZ-RDPSFJRHSA-N 1 1 455.628 2.565 20 30 JFEDMO C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001286304166 1060055866 /nfs/dbraw/zinc/05/58/66/1060055866.db2.gz UUAXOYYFBROGQB-DNQXCXABSA-N 1 1 463.674 2.975 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001286304164 1060055959 /nfs/dbraw/zinc/05/59/59/1060055959.db2.gz UUAXOYYFBROGQB-BJKOFHAPSA-N 1 1 463.674 2.975 20 30 JFEDMO C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001286303694 1060056033 /nfs/dbraw/zinc/05/60/33/1060056033.db2.gz RZZWWIKAVZNNBZ-YKSBVNFPSA-N 1 1 455.628 2.565 20 30 JFEDMO C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001286306691 1060059157 /nfs/dbraw/zinc/05/91/57/1060059157.db2.gz WVYQNLWBKDVYPK-SHBJFUFKSA-N 1 1 467.614 2.729 20 30 JFEDMO C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001286306691 1060059178 /nfs/dbraw/zinc/05/91/78/1060059178.db2.gz WVYQNLWBKDVYPK-SHBJFUFKSA-N 1 1 467.614 2.729 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001286306693 1060059376 /nfs/dbraw/zinc/05/93/76/1060059376.db2.gz WVYQNLWBKDVYPK-TZYAJKAJSA-N 1 1 467.614 2.729 20 30 JFEDMO C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001286306693 1060059391 /nfs/dbraw/zinc/05/93/91/1060059391.db2.gz WVYQNLWBKDVYPK-TZYAJKAJSA-N 1 1 467.614 2.729 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC001286310034 1060065179 /nfs/dbraw/zinc/06/51/79/1060065179.db2.gz AORNQRMODVFPLM-FYYLOGMGSA-N 1 1 494.640 2.729 20 30 JFEDMO C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001286314887 1060075943 /nfs/dbraw/zinc/07/59/43/1060075943.db2.gz IEVPIMQKZPTNQV-UXHICEINSA-N 1 1 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CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C1 ZINC001294461490 1062010478 /nfs/dbraw/zinc/01/04/78/1062010478.db2.gz ZZCHQYYNFXIEBD-FYYLOGMGSA-N 1 1 465.646 2.953 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001294507845 1062045464 /nfs/dbraw/zinc/04/54/64/1062045464.db2.gz VQJMMSHBUQUKHB-BWKNWUBXSA-N 1 1 492.672 2.537 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294524230 1062062028 /nfs/dbraw/zinc/06/20/28/1062062028.db2.gz PEXACQVGUCHOPW-OAQYLSRUSA-N 1 1 458.632 2.952 20 30 JFEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294650300 1062195792 /nfs/dbraw/zinc/19/57/92/1062195792.db2.gz TUVSRYUUQTZJOB-PZJWPPBQSA-N 1 1 456.616 2.562 20 30 JFEDMO CCC[N@H+]1CC[C@@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001294655346 1062200136 /nfs/dbraw/zinc/20/01/36/1062200136.db2.gz ATIHLEQIIIBZFH-VQTJNVASSA-N 1 1 451.623 2.922 20 30 JFEDMO CCCNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001294813569 1062488919 /nfs/dbraw/zinc/48/89/19/1062488919.db2.gz TWHRGFQZTIADPT-FCHUYYIVSA-N 1 1 479.629 2.956 20 30 JFEDMO CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287216311 1062691693 /nfs/dbraw/zinc/69/16/93/1062691693.db2.gz MYXAXPRQKILNRN-HSZRJFAPSA-N 1 1 496.635 2.682 20 30 JFEDMO Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001290873517 1062759051 /nfs/dbraw/zinc/75/90/51/1062759051.db2.gz GNZSIIOMTSTTIP-UHFFFAOYSA-N 1 1 475.544 2.940 20 30 JFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 ZINC001291011627 1062913221 /nfs/dbraw/zinc/91/32/21/1062913221.db2.gz MXHCAKXEYNHKJF-SVFBPWRDSA-N 1 1 462.664 2.678 20 30 JFEDMO CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287471290 1062918983 /nfs/dbraw/zinc/91/89/83/1062918983.db2.gz KRMVLBGAUOCGMA-UHFFFAOYSA-N 1 1 464.662 2.701 20 30 JFEDMO CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001287471290 1062919003 /nfs/dbraw/zinc/91/90/03/1062919003.db2.gz KRMVLBGAUOCGMA-UHFFFAOYSA-N 1 1 464.662 2.701 20 30 JFEDMO CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001287471290 1062919029 /nfs/dbraw/zinc/91/90/29/1062919029.db2.gz KRMVLBGAUOCGMA-UHFFFAOYSA-N 1 1 464.662 2.701 20 30 JFEDMO N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)CC2)c(F)c1 ZINC001295148243 1062969245 /nfs/dbraw/zinc/96/92/45/1062969245.db2.gz YFHAOBWCDINGLW-LADGPHEKSA-N 1 1 450.558 2.913 20 30 JFEDMO N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)CC2)c(F)c1 ZINC001295148246 1062969316 /nfs/dbraw/zinc/96/93/16/1062969316.db2.gz YFHAOBWCDINGLW-UPVQGACJSA-N 1 1 450.558 2.913 20 30 JFEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 ZINC001291094983 1063053614 /nfs/dbraw/zinc/05/36/14/1063053614.db2.gz CKXAHPZKCJHJOL-UNMCSNQZSA-N 1 1 499.685 2.847 20 30 JFEDMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 ZINC001291097284 1063060531 /nfs/dbraw/zinc/06/05/31/1063060531.db2.gz SFZUNUJIVIZEED-PZJWPPBQSA-N 1 1 486.642 2.732 20 30 JFEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291102346 1063076722 /nfs/dbraw/zinc/07/67/22/1063076722.db2.gz LXUFVCGPQZJGJG-MSOLQXFVSA-N 1 1 465.668 2.529 20 30 JFEDMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291102348 1063077707 /nfs/dbraw/zinc/07/77/07/1063077707.db2.gz LXUFVCGPQZJGJG-ROUUACIJSA-N 1 1 465.668 2.529 20 30 JFEDMO CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C1=O ZINC001287751305 1063078106 /nfs/dbraw/zinc/07/81/06/1063078106.db2.gz FIOQDJHEWBUVGZ-HXUWFJFHSA-N 1 1 479.629 2.621 20 30 JFEDMO CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC(C)(C)C2)[C@H](C)C1=O ZINC001287751305 1063078125 /nfs/dbraw/zinc/07/81/25/1063078125.db2.gz FIOQDJHEWBUVGZ-HXUWFJFHSA-N 1 1 479.629 2.621 20 30 JFEDMO C[C@H]1CCC[N@@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001291128640 1063164166 /nfs/dbraw/zinc/16/41/66/1063164166.db2.gz AAAXVTNKIJFDII-FQEVSTJZSA-N 1 1 479.629 2.943 20 30 JFEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001295327124 1063221030 /nfs/dbraw/zinc/22/10/30/1063221030.db2.gz OHCIXBQIQYEXMR-UPVQGACJSA-N 1 1 493.656 2.748 20 30 JFEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001295327124 1063221053 /nfs/dbraw/zinc/22/10/53/1063221053.db2.gz OHCIXBQIQYEXMR-UPVQGACJSA-N 1 1 493.656 2.748 20 30 JFEDMO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001295363177 1063323736 /nfs/dbraw/zinc/32/37/36/1063323736.db2.gz AKWIRRSYECIHHP-OAQYLSRUSA-N 1 1 475.645 2.993 20 30 JFEDMO C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291223143 1063462723 /nfs/dbraw/zinc/46/27/23/1063462723.db2.gz ANQIIHCYEGMULK-LPHOPBHVSA-N 1 1 464.492 2.900 20 30 JFEDMO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291287551 1063639530 /nfs/dbraw/zinc/63/95/30/1063639530.db2.gz DNLNMYNIJPIKOU-VAMGGRTRSA-N 1 1 472.565 2.787 20 30 JFEDMO C[C@@H]1C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC001291288842 1063652449 /nfs/dbraw/zinc/65/24/49/1063652449.db2.gz ZGLPGRNFQWWTGM-GLDPYIMESA-N 1 1 466.590 2.555 20 30 JFEDMO C[C@H]1C[N@@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CCCO1 ZINC001291290390 1063663800 /nfs/dbraw/zinc/66/38/00/1063663800.db2.gz ZKGYFBFRGDBRQP-IBGZPJMESA-N 1 1 486.642 2.589 20 30 JFEDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O ZINC001291294793 1063692647 /nfs/dbraw/zinc/69/26/47/1063692647.db2.gz PJOLRVOENQMBDG-WIYYLYMNSA-N 1 1 456.616 2.705 20 30 JFEDMO C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291315929 1063749536 /nfs/dbraw/zinc/74/95/36/1063749536.db2.gz ISTICDLNOXSPCN-SIKLNZKXSA-N 1 1 479.629 2.763 20 30 JFEDMO C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291315930 1063749592 /nfs/dbraw/zinc/74/95/92/1063749592.db2.gz ISTICDLNOXSPCN-UGKGYDQZSA-N 1 1 479.629 2.763 20 30 JFEDMO CC[N@@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F ZINC001295866192 1063899622 /nfs/dbraw/zinc/89/96/22/1063899622.db2.gz VOYLGTJAKVSKOV-SFHVURJKSA-N 1 1 470.471 2.999 20 30 JFEDMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001295879188 1063922269 /nfs/dbraw/zinc/92/22/69/1063922269.db2.gz XGUNZUDSPVVSNH-MOPGFXCFSA-N 1 1 458.632 2.808 20 30 JFEDMO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001295879190 1063922300 /nfs/dbraw/zinc/92/23/00/1063922300.db2.gz XGUNZUDSPVVSNH-RBUKOAKNSA-N 1 1 458.632 2.808 20 30 JFEDMO CC[C@H](C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001291415671 1063992220 /nfs/dbraw/zinc/99/22/20/1063992220.db2.gz NWKTXARPFVROKM-WMZHIEFXSA-N 1 1 462.602 2.934 20 30 JFEDMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC001296033687 1064092445 /nfs/dbraw/zinc/09/24/45/1064092445.db2.gz NJPPEXJVSKYTST-VQTJNVASSA-N 1 1 485.608 2.681 20 30 JFEDMO CC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001296048811 1064108733 /nfs/dbraw/zinc/10/87/33/1064108733.db2.gz YIUUIOVPJCETGY-GBESFXJTSA-N 1 1 461.611 2.667 20 30 JFEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296061188 1064126655 /nfs/dbraw/zinc/12/66/55/1064126655.db2.gz VSGMTCSNLSVNPW-SFTDATJTSA-N 1 1 456.616 2.705 20 30 JFEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 ZINC001296063017 1064129302 /nfs/dbraw/zinc/12/93/02/1064129302.db2.gz RHZVBSAZGWYOSG-QHCPKHFHSA-N 1 1 479.629 2.670 20 30 JFEDMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001296089226 1064160030 /nfs/dbraw/zinc/16/00/30/1064160030.db2.gz YZCSDZBFAPWHIA-LEWJYISDSA-N 1 1 456.616 2.563 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001291765546 1064246226 /nfs/dbraw/zinc/24/62/26/1064246226.db2.gz MUTMNEJCRBOMOZ-NQIIRXRSSA-N 1 1 467.618 2.869 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001291779679 1064267897 /nfs/dbraw/zinc/26/78/97/1064267897.db2.gz RKIIRSVOBHFQFO-HXUWFJFHSA-N 1 1 459.602 2.587 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001291782435 1064271261 /nfs/dbraw/zinc/27/12/61/1064271261.db2.gz OYTSDOJVXZHPTM-HXUWFJFHSA-N 1 1 459.602 2.587 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291785414 1064281064 /nfs/dbraw/zinc/28/10/64/1064281064.db2.gz VNXZRXIIVSXHAI-KNQAVFIVSA-N 1 1 488.658 2.863 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296185259 1064333079 /nfs/dbraw/zinc/33/30/79/1064333079.db2.gz OEBVQBNISPWFNH-JTSKRJEESA-N 1 1 460.989 2.709 20 30 JFEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)CC1 ZINC001296194755 1064357601 /nfs/dbraw/zinc/35/76/01/1064357601.db2.gz FRZNHBKOVYARMB-UHFFFAOYSA-N 1 1 499.685 2.506 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296196855 1064369665 /nfs/dbraw/zinc/36/96/65/1064369665.db2.gz VIXWEBKDTGYAHT-FDFHNCONSA-N 1 1 481.645 2.616 20 30 JFEDMO CC[NH+]1CCN(CCCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296202980 1064380030 /nfs/dbraw/zinc/38/00/30/1064380030.db2.gz JSBSTUZAABHCOD-XMMPIXPASA-N 1 1 473.572 2.856 20 30 JFEDMO CCNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001296235146 1064482287 /nfs/dbraw/zinc/48/22/87/1064482287.db2.gz ZGTCJZNQFBKHIJ-UHFFFAOYSA-N 1 1 472.597 2.696 20 30 JFEDMO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001296307172 1064587808 /nfs/dbraw/zinc/58/78/08/1064587808.db2.gz CGKLJAGIWCVXEK-WOJBJXKFSA-N 1 1 464.618 2.789 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CC1([NH+](C)C)CCCCC1 ZINC001292077466 1064759184 /nfs/dbraw/zinc/75/91/84/1064759184.db2.gz YKULTMQSAVQBFA-UHFFFAOYSA-N 1 1 494.644 2.996 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCC[C@H]1C ZINC001292123669 1064862923 /nfs/dbraw/zinc/86/29/23/1064862923.db2.gz HNPOUFLGWZFQOP-NFQMXDRXSA-N 1 1 493.656 2.941 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001292133568 1064888184 /nfs/dbraw/zinc/88/81/84/1064888184.db2.gz IDGJRMNOUKQGII-VQTJNVASSA-N 1 1 469.590 2.745 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001292134199 1064892764 /nfs/dbraw/zinc/89/27/64/1064892764.db2.gz QTDDDFXEAGPOBH-DHIUTWEWSA-N 1 1 479.629 2.762 20 30 JFEDMO CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1)OC ZINC001292185203 1064976506 /nfs/dbraw/zinc/97/65/06/1064976506.db2.gz PHPBCVSOFPXIIH-QFIPXVFZSA-N 1 1 467.618 2.622 20 30 JFEDMO 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JFEDMO C#CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC001286349027 1060104324 /nfs/dbraw/zinc/10/43/24/1060104324.db2.gz RTAKBOYOYIKDRM-FQEVSTJZSA-N 1 1 477.613 2.543 20 30 JFEDMO C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286364852 1060128050 /nfs/dbraw/zinc/12/80/50/1060128050.db2.gz LZANSGVATZLCNK-UHFFFAOYSA-N 1 1 462.392 2.896 20 30 JFEDMO C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001286377513 1060141354 /nfs/dbraw/zinc/14/13/54/1060141354.db2.gz YPORXBOJKUIENY-VQTJNVASSA-N 1 1 460.623 2.920 20 30 JFEDMO C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286383973 1060165626 /nfs/dbraw/zinc/16/56/26/1060165626.db2.gz FVQCRRBAQKABOU-FCHUYYIVSA-N 1 1 455.628 2.693 20 30 JFEDMO C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286383973 1060165630 /nfs/dbraw/zinc/16/56/30/1060165630.db2.gz FVQCRRBAQKABOU-FCHUYYIVSA-N 1 1 455.628 2.693 20 30 JFEDMO 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Cc1ccc(-c2nnc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2CCNC(=O)C(C)C)o1 ZINC001289602204 1061248282 /nfs/dbraw/zinc/24/82/82/1061248282.db2.gz MZLQDLKZEFBTGG-UHFFFAOYSA-N 1 1 461.570 2.813 20 30 JFEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286882882 1061311960 /nfs/dbraw/zinc/31/19/60/1061311960.db2.gz KCDNNSXWKBWYCJ-HXUWFJFHSA-N 1 1 479.629 2.908 20 30 JFEDMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286886268 1061328434 /nfs/dbraw/zinc/32/84/34/1061328434.db2.gz BQTUIPTXBYUNNP-WMZHIEFXSA-N 1 1 479.629 2.621 20 30 JFEDMO Cc1ccc(NC(=O)c2nnc(N3CCC(CC#N)CC3)n2CCC[NH+]2CCOCC2)cc1C ZINC001289733555 1061344396 /nfs/dbraw/zinc/34/43/96/1061344396.db2.gz VBAHPPMYHGLNDU-UHFFFAOYSA-N 1 1 465.602 3.000 20 30 JFEDMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001286889259 1061346790 /nfs/dbraw/zinc/34/67/90/1061346790.db2.gz HMXYZTAUXKOQBF-QFIPXVFZSA-N 1 1 467.643 2.559 20 30 JFEDMO 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CCCC[N@H+](C)CCn1c(N2CCc3[nH]c(=O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294228381 1061743320 /nfs/dbraw/zinc/74/33/20/1061743320.db2.gz CUYANFARKHXCTJ-VWLOTQADSA-N 1 1 483.617 2.586 20 30 JFEDMO CCCC[N@@H+](C)CCn1c(N2CCc3[nH]c(=O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294228381 1061743341 /nfs/dbraw/zinc/74/33/41/1061743341.db2.gz CUYANFARKHXCTJ-VWLOTQADSA-N 1 1 483.617 2.586 20 30 JFEDMO CCCC[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001294229665 1061746421 /nfs/dbraw/zinc/74/64/21/1061746421.db2.gz OUNMGQUDLZUWDQ-PMACEKPBSA-N 1 1 454.531 2.575 20 30 JFEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 ZINC001294308537 1061796424 /nfs/dbraw/zinc/79/64/24/1061796424.db2.gz LVRXYKJFHKZQHZ-ICSRJNTNSA-N 1 1 465.668 2.673 20 30 JFEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001294317972 1061816505 /nfs/dbraw/zinc/81/65/05/1061816505.db2.gz ZPKDGGXGYBGESU-HXUWFJFHSA-N 1 1 453.639 2.735 20 30 JFEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 ZINC001294318625 1061819337 /nfs/dbraw/zinc/81/93/37/1061819337.db2.gz UTZOTRQERHCJSQ-RTBURBONSA-N 1 1 471.631 2.653 20 30 JFEDMO CC(C)(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286986953 1061866218 /nfs/dbraw/zinc/86/62/18/1061866218.db2.gz YOQCUCQJTBMQSP-JOCHJYFZSA-N 1 1 479.629 2.528 20 30 JFEDMO CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001287034255 1061995508 /nfs/dbraw/zinc/99/55/08/1061995508.db2.gz SIDWTXSCFVYJGQ-JOCHJYFZSA-N 1 1 480.661 2.697 20 30 JFEDMO CC(C)(C)[N@H+]1CCCN(c2nnc(CCc3ccccc3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001287046593 1062029456 /nfs/dbraw/zinc/02/94/56/1062029456.db2.gz VEVZQPXHQWWHAC-OCOZRVBESA-N 1 1 491.640 2.900 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001294505997 1062042266 /nfs/dbraw/zinc/04/22/66/1062042266.db2.gz DQCYBTJTLKCPAT-UHFFFAOYSA-N 1 1 464.618 2.933 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294507847 1062046200 /nfs/dbraw/zinc/04/62/00/1062046200.db2.gz VQJMMSHBUQUKHB-PXDATVDWSA-N 1 1 492.672 2.537 20 30 JFEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OCC)CC2)C1 ZINC001294647786 1062184820 /nfs/dbraw/zinc/18/48/20/1062184820.db2.gz KJDITRAGWNMSAZ-HXUWFJFHSA-N 1 1 451.575 2.827 20 30 JFEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294649184 1062190906 /nfs/dbraw/zinc/19/09/06/1062190906.db2.gz YXLMNHFURDNZQE-UNMCSNQZSA-N 1 1 470.643 2.952 20 30 JFEDMO CC(C)(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001287079521 1062231714 /nfs/dbraw/zinc/23/17/14/1062231714.db2.gz KEUXAYKTMBRJJN-UHFFFAOYSA-N 1 1 465.602 2.523 20 30 JFEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294700427 1062265912 /nfs/dbraw/zinc/26/59/12/1062265912.db2.gz SOVRLLWHJWEEJK-LEWJYISDSA-N 1 1 456.616 2.705 20 30 JFEDMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001290522015 1062323066 /nfs/dbraw/zinc/32/30/66/1062323066.db2.gz SZJGZQHWEDMKHL-QHCPKHFHSA-N 1 1 482.614 2.531 20 30 JFEDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001294744738 1062336494 /nfs/dbraw/zinc/33/64/94/1062336494.db2.gz BRKXCNYLBSCWRB-QFIPXVFZSA-N 1 1 485.658 2.551 20 30 JFEDMO Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290536819 1062336789 /nfs/dbraw/zinc/33/67/89/1062336789.db2.gz VTECVQYYMLKQRO-UHFFFAOYSA-N 1 1 490.612 2.617 20 30 JFEDMO Cc1nccnc1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290536819 1062336813 /nfs/dbraw/zinc/33/68/13/1062336813.db2.gz VTECVQYYMLKQRO-UHFFFAOYSA-N 1 1 490.612 2.617 20 30 JFEDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 ZINC001290562061 1062362447 /nfs/dbraw/zinc/36/24/47/1062362447.db2.gz ANDHHMGVVCHIPU-UHFFFAOYSA-N 1 1 492.628 2.562 20 30 JFEDMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001287120974 1062365545 /nfs/dbraw/zinc/36/55/45/1062365545.db2.gz SZXJNDAVEUXTQV-JOCHJYFZSA-N 1 1 477.613 2.732 20 30 JFEDMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001294819259 1062497377 /nfs/dbraw/zinc/49/73/77/1062497377.db2.gz DCTCTNXFIBWTMS-UHFFFAOYSA-N 1 1 479.629 2.670 20 30 JFEDMO Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290633312 1062511120 /nfs/dbraw/zinc/51/11/20/1062511120.db2.gz QPWSJAMSVXEKRA-IMSXRSKXSA-N 1 1 454.623 2.769 20 30 JFEDMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287154400 1062535474 /nfs/dbraw/zinc/53/54/74/1062535474.db2.gz UZWJUIXBJDZULU-DFIYOIEZSA-N 1 1 470.618 2.681 20 30 JFEDMO CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287154400 1062535488 /nfs/dbraw/zinc/53/54/88/1062535488.db2.gz UZWJUIXBJDZULU-DFIYOIEZSA-N 1 1 470.618 2.681 20 30 JFEDMO CCCNC(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001294861121 1062567511 /nfs/dbraw/zinc/56/75/11/1062567511.db2.gz XXRCWONSQZCKKU-UHFFFAOYSA-N 1 1 486.624 2.764 20 30 JFEDMO Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CCCn1cc(Br)cn1 ZINC001290873847 1062759013 /nfs/dbraw/zinc/75/90/13/1062759013.db2.gz JFWSTKIACJRUDN-UHFFFAOYSA-N 1 1 469.391 2.830 20 30 JFEDMO CC(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001287433239 1062869575 /nfs/dbraw/zinc/86/95/75/1062869575.db2.gz ZENMLVNEOOQVNU-GOSISDBHSA-N 1 1 453.591 2.512 20 30 JFEDMO CC(C)Cc1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001287433239 1062869595 /nfs/dbraw/zinc/86/95/95/1062869595.db2.gz ZENMLVNEOOQVNU-GOSISDBHSA-N 1 1 453.591 2.512 20 30 JFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001291015553 1062925931 /nfs/dbraw/zinc/92/59/31/1062925931.db2.gz SMVVLZRKYPGSSX-HBMCJLEFSA-N 1 1 479.629 2.764 20 30 JFEDMO CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295162034 1062986215 /nfs/dbraw/zinc/98/62/15/1062986215.db2.gz MWXKYNXNHIBDGP-XQBPLPMBSA-N 1 1 470.643 2.951 20 30 JFEDMO CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001287605487 1063001335 /nfs/dbraw/zinc/00/13/35/1063001335.db2.gz KCVCLCHPFOGVMR-HXUWFJFHSA-N 1 1 450.653 2.678 20 30 JFEDMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 ZINC001291097285 1063060236 /nfs/dbraw/zinc/06/02/36/1063060236.db2.gz SFZUNUJIVIZEED-TZIWHRDSSA-N 1 1 486.642 2.732 20 30 JFEDMO C[C@@H]1CCCC[N@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001291097282 1063060433 /nfs/dbraw/zinc/06/04/33/1063060433.db2.gz SFZUNUJIVIZEED-CTNGQTDRSA-N 1 1 486.642 2.732 20 30 JFEDMO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291104923 1063085551 /nfs/dbraw/zinc/08/55/51/1063085551.db2.gz BURVAUZNZMLLHU-XQBPLPMBSA-N 1 1 470.643 2.951 20 30 JFEDMO C[C@@H]1CCC[N@@H+](CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001291124217 1063142515 /nfs/dbraw/zinc/14/25/15/1063142515.db2.gz ZPLCEVLOVALQFC-HXUWFJFHSA-N 1 1 479.629 2.800 20 30 JFEDMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001291139737 1063204810 /nfs/dbraw/zinc/20/48/10/1063204810.db2.gz JMKKKFIVHXJRPB-VOLVWJTLSA-N 1 1 461.586 2.975 20 30 JFEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)CC1 ZINC001295326847 1063217142 /nfs/dbraw/zinc/21/71/42/1063217142.db2.gz DITYYAVYNNWRKR-HSZRJFAPSA-N 1 1 477.613 2.890 20 30 JFEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)CC1 ZINC001295326847 1063217165 /nfs/dbraw/zinc/21/71/65/1063217165.db2.gz DITYYAVYNNWRKR-HSZRJFAPSA-N 1 1 477.613 2.890 20 30 JFEDMO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001295327297 1063221831 /nfs/dbraw/zinc/22/18/31/1063221831.db2.gz QOMGTAGKRMXMOC-NRFANRHFSA-N 1 1 492.672 2.680 20 30 JFEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1 ZINC001295327544 1063224148 /nfs/dbraw/zinc/22/41/48/1063224148.db2.gz WVENJYGGTOTCDP-UHFFFAOYSA-N 1 1 476.585 2.542 20 30 JFEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1 ZINC001295327544 1063224166 /nfs/dbraw/zinc/22/41/66/1063224166.db2.gz WVENJYGGTOTCDP-UHFFFAOYSA-N 1 1 476.585 2.542 20 30 JFEDMO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 ZINC001295396530 1063382856 /nfs/dbraw/zinc/38/28/56/1063382856.db2.gz FBFBJPDSGHCJEI-CTNGQTDRSA-N 1 1 498.609 2.753 20 30 JFEDMO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291218118 1063442451 /nfs/dbraw/zinc/44/24/51/1063442451.db2.gz NXRHUXLKBPAXPU-SIKLNZKXSA-N 1 1 479.629 2.763 20 30 JFEDMO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC001291223185 1063462665 /nfs/dbraw/zinc/46/26/65/1063462665.db2.gz BIXUOLABCPTTEE-BGYRXZFFSA-N 1 1 451.619 2.704 20 30 JFEDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCCCCS(C)(=O)=O ZINC001291294791 1063691509 /nfs/dbraw/zinc/69/15/09/1063691509.db2.gz PJOLRVOENQMBDG-NQIIRXRSSA-N 1 1 456.616 2.705 20 30 JFEDMO C[C@H]1C[N@@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 ZINC001291295201 1063694398 /nfs/dbraw/zinc/69/43/98/1063694398.db2.gz VZLJZJHLBCYXGB-FDDCHVKYSA-N 1 1 460.529 2.939 20 30 JFEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1)C(C)C ZINC001295827121 1063836591 /nfs/dbraw/zinc/83/65/91/1063836591.db2.gz LQGPXCPYIMDBEW-UHFFFAOYSA-N 1 1 492.672 2.682 20 30 JFEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001295827539 1063838104 /nfs/dbraw/zinc/83/81/04/1063838104.db2.gz PLQCHHILFXKKBQ-OAQYLSRUSA-N 1 1 456.616 2.705 20 30 JFEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001295835001 1063851423 /nfs/dbraw/zinc/85/14/23/1063851423.db2.gz ZQAQFACGPWQVIH-QFIPXVFZSA-N 1 1 492.672 2.680 20 30 JFEDMO CC[N@@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001295855335 1063884722 /nfs/dbraw/zinc/88/47/22/1063884722.db2.gz CRTNUYJKBHVZRJ-FDDCHVKYSA-N 1 1 479.601 2.759 20 30 JFEDMO CC[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)C(C)C ZINC001295865099 1063896067 /nfs/dbraw/zinc/89/60/67/1063896067.db2.gz BIZUUDDKOZATGY-CJFMBICVSA-N 1 1 468.602 2.843 20 30 JFEDMO CC[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001295865365 1063897063 /nfs/dbraw/zinc/89/70/63/1063897063.db2.gz JFCDLKHIOYWKQI-UHFFFAOYSA-N 1 1 453.591 2.518 20 30 JFEDMO CC[C@H](C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001291415670 1063992228 /nfs/dbraw/zinc/99/22/28/1063992228.db2.gz NWKTXARPFVROKM-CVDCTZTESA-N 1 1 462.602 2.934 20 30 JFEDMO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC001295979981 1064028533 /nfs/dbraw/zinc/02/85/33/1064028533.db2.gz XUTRYPLVPKNICC-ROUUACIJSA-N 1 1 458.632 2.949 20 30 JFEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC001295979981 1064028539 /nfs/dbraw/zinc/02/85/39/1064028539.db2.gz XUTRYPLVPKNICC-ROUUACIJSA-N 1 1 458.632 2.949 20 30 JFEDMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC001295979983 1064028663 /nfs/dbraw/zinc/02/86/63/1064028663.db2.gz XUTRYPLVPKNICC-ZWKOTPCHSA-N 1 1 458.632 2.949 20 30 JFEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC001295979983 1064028668 /nfs/dbraw/zinc/02/86/68/1064028668.db2.gz XUTRYPLVPKNICC-ZWKOTPCHSA-N 1 1 458.632 2.949 20 30 JFEDMO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001295982726 1064036263 /nfs/dbraw/zinc/03/62/63/1064036263.db2.gz GEPOPOQUCRXPPB-QZTJIDSGSA-N 1 1 456.616 2.703 20 30 JFEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CCC2)C[C@H]1C ZINC001295982726 1064036270 /nfs/dbraw/zinc/03/62/70/1064036270.db2.gz GEPOPOQUCRXPPB-QZTJIDSGSA-N 1 1 456.616 2.703 20 30 JFEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001296011933 1064072128 /nfs/dbraw/zinc/07/21/28/1064072128.db2.gz RCQAFMGUUSVYKR-BDTNDASRSA-N 1 1 481.645 2.616 20 30 JFEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296011952 1064072262 /nfs/dbraw/zinc/07/22/62/1064072262.db2.gz RCQAFMGUUSVYKR-FKBYEOEOSA-N 1 1 481.645 2.616 20 30 JFEDMO CC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)cn3C)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001296035149 1064094332 /nfs/dbraw/zinc/09/43/32/1064094332.db2.gz APLVCQSOTYTPLK-LIRRHRJNSA-N 1 1 450.360 2.830 20 30 JFEDMO CC[N@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C#N)CC2)C1 ZINC001296048557 1064107903 /nfs/dbraw/zinc/10/79/03/1064107903.db2.gz XFKDIVRGHQVJNY-PMACEKPBSA-N 1 1 473.622 2.668 20 30 JFEDMO CC[N@@H+]1CC[C@H](Cn2c(CCN3CCN(c4ccccc4)CC3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001296050766 1064110394 /nfs/dbraw/zinc/11/03/94/1064110394.db2.gz UUYWNHZDJLPXTG-GOTSBHOMSA-N 1 1 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JIXWFIYFXUSOSU-IBGZPJMESA-N 1 1 493.591 2.715 20 30 JFEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296190399 1064338565 /nfs/dbraw/zinc/33/85/65/1064338565.db2.gz DAJLLZBBTRUDTP-CJFMBICVSA-N 1 1 453.610 2.893 20 30 JFEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001296194743 1064357676 /nfs/dbraw/zinc/35/76/76/1064357676.db2.gz FRJGNZLYSRJCFQ-JOCHJYFZSA-N 1 1 451.619 2.707 20 30 JFEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001296194986 1064358837 /nfs/dbraw/zinc/35/88/37/1064358837.db2.gz UIQFEINEJLHAAK-OAQYLSRUSA-N 1 1 450.635 2.668 20 30 JFEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296196664 1064368880 /nfs/dbraw/zinc/36/88/80/1064368880.db2.gz RIGZLSPRNYSVHY-NRFANRHFSA-N 1 1 451.619 2.850 20 30 JFEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296196857 1064369502 /nfs/dbraw/zinc/36/95/02/1064369502.db2.gz 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CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)C1 ZINC001294460833 1062009663 /nfs/dbraw/zinc/00/96/63/1062009663.db2.gz MDEKSTGCTZMNJH-UNMCSNQZSA-N 1 1 451.619 2.706 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 ZINC001294505534 1062041805 /nfs/dbraw/zinc/04/18/05/1062041805.db2.gz ANCNEEHXBABVIV-INIZCTEOSA-N 1 1 450.385 2.507 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001294522844 1062058430 /nfs/dbraw/zinc/05/84/30/1062058430.db2.gz OMXYVPKCTGEGLJ-UHFFFAOYSA-N 1 1 459.602 2.589 20 30 JFEDMO CC(C)(C)OC(=O)N[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287058407 1062084630 /nfs/dbraw/zinc/08/46/30/1062084630.db2.gz GOGMKWNYHAAZDU-FCHUYYIVSA-N 1 1 495.628 2.767 20 30 JFEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294650302 1062195719 /nfs/dbraw/zinc/19/57/19/1062195719.db2.gz TUVSRYUUQTZJOB-TZIWHRDSSA-N 1 1 456.616 2.562 20 30 JFEDMO 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JFEDMO CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295175121 1062999168 /nfs/dbraw/zinc/99/91/68/1062999168.db2.gz UPXPAENXYBQMDM-LEWJYISDSA-N 1 1 470.643 2.951 20 30 JFEDMO CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287605154 1063000888 /nfs/dbraw/zinc/00/08/88/1063000888.db2.gz FNJZWRSAAMWTQE-HSALFYBXSA-N 1 1 459.639 2.883 20 30 JFEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 ZINC001291094982 1063053666 /nfs/dbraw/zinc/05/36/66/1063053666.db2.gz CKXAHPZKCJHJOL-RBBKRZOGSA-N 1 1 499.685 2.847 20 30 JFEDMO C[C@H]1CCCC[N@H+]1CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001291097283 1063060330 /nfs/dbraw/zinc/06/03/30/1063060330.db2.gz SFZUNUJIVIZEED-FPOVZHCZSA-N 1 1 486.642 2.732 20 30 JFEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001287738551 1063061724 /nfs/dbraw/zinc/06/17/24/1063061724.db2.gz PCXTVWONPONEAJ-QFIPXVFZSA-N 1 1 499.685 2.656 20 30 JFEDMO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105715 1063088963 /nfs/dbraw/zinc/08/89/63/1063088963.db2.gz MROFZOGSALPOGX-OPYAIIAOSA-N 1 1 456.616 2.560 20 30 JFEDMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001291124689 1063144456 /nfs/dbraw/zinc/14/44/56/1063144456.db2.gz INQCLYRWZUASOV-SFTDATJTSA-N 1 1 479.629 2.908 20 30 JFEDMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001291128641 1063164404 /nfs/dbraw/zinc/16/44/04/1063164404.db2.gz AAAXVTNKIJFDII-HXUWFJFHSA-N 1 1 479.629 2.943 20 30 JFEDMO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291218116 1063441408 /nfs/dbraw/zinc/44/14/08/1063441408.db2.gz NXRHUXLKBPAXPU-DENIHFKCSA-N 1 1 479.629 2.763 20 30 JFEDMO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291218119 1063442519 /nfs/dbraw/zinc/44/25/19/1063442519.db2.gz 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C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286506132 1060534006 /nfs/dbraw/zinc/53/40/06/1060534006.db2.gz QIWSQGCBMVZEKR-HYBUGGRVSA-N 1 1 498.672 2.753 20 30 JFEDMO C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001286515123 1060550028 /nfs/dbraw/zinc/55/00/28/1060550028.db2.gz DGXJIXHTQXFUQU-PGRDOPGGSA-N 1 1 475.435 2.885 20 30 JFEDMO C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001286529151 1060561147 /nfs/dbraw/zinc/56/11/47/1060561147.db2.gz URZWXQBOVOOCIQ-CJFMBICVSA-N 1 1 453.587 2.826 20 30 JFEDMO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001286538131 1060580358 /nfs/dbraw/zinc/58/03/58/1060580358.db2.gz JJUBVOCNLJIRED-QZTJIDSGSA-N 1 1 459.392 2.849 20 30 JFEDMO C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001286547995 1060599408 /nfs/dbraw/zinc/59/94/08/1060599408.db2.gz QYRZOYJZMRGCKU-JFJDKTSWSA-N 1 1 498.676 2.650 20 30 JFEDMO C=C(Br)Cn1c(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001286548243 1060600816 /nfs/dbraw/zinc/60/08/16/1060600816.db2.gz VEXUVVYEQILKJP-CRAIPNDOSA-N 1 1 467.456 2.863 20 30 JFEDMO C=C(Br)Cn1c(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001286548248 1060600841 /nfs/dbraw/zinc/60/08/41/1060600841.db2.gz VEXUVVYEQILKJP-QAPCUYQASA-N 1 1 467.456 2.863 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001286553071 1060617131 /nfs/dbraw/zinc/61/71/31/1060617131.db2.gz CNRZAXDWFJEREX-FKBYEOEOSA-N 1 1 461.651 2.948 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001286555745 1060623671 /nfs/dbraw/zinc/62/36/71/1060623671.db2.gz YTOIUPIFLHMWRI-FQOCKNPQSA-N 1 1 477.650 2.673 20 30 JFEDMO C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001286559887 1060633950 /nfs/dbraw/zinc/63/39/50/1060633950.db2.gz ZAXCAFGMZCKKAJ-BKMJKUGQSA-N 1 1 495.672 2.626 20 30 JFEDMO C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001286559887 1060633962 /nfs/dbraw/zinc/63/39/62/1060633962.db2.gz ZAXCAFGMZCKKAJ-BKMJKUGQSA-N 1 1 495.672 2.626 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC001286560699 1060634775 /nfs/dbraw/zinc/63/47/75/1060634775.db2.gz HWVMMBWBYXJORX-FCEUIQTBSA-N 1 1 457.623 2.597 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC001286560701 1060634806 /nfs/dbraw/zinc/63/48/06/1060634806.db2.gz HWVMMBWBYXJORX-NNWRFLSQSA-N 1 1 457.623 2.597 20 30 JFEDMO C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001286561586 1060637661 /nfs/dbraw/zinc/63/76/61/1060637661.db2.gz BZNRDZSQZVWSSK-FYYLOGMGSA-N 1 1 471.650 2.668 20 30 JFEDMO C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001286561586 1060637673 /nfs/dbraw/zinc/63/76/73/1060637673.db2.gz BZNRDZSQZVWSSK-FYYLOGMGSA-N 1 1 471.650 2.668 20 30 JFEDMO C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001286578753 1060665309 /nfs/dbraw/zinc/66/53/09/1060665309.db2.gz JJBVFYCPLRBQIG-VXKWHMMOSA-N 1 1 452.603 2.637 20 30 JFEDMO C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001286581492 1060668472 /nfs/dbraw/zinc/66/84/72/1060668472.db2.gz JRWLICFWUFDPCL-XMMPIXPASA-N 1 1 462.639 2.862 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604265 1060708848 /nfs/dbraw/zinc/70/88/48/1060708848.db2.gz QNPGCIWBNCZLBI-SQJMNOBHSA-N 1 1 491.640 2.788 20 30 JFEDMO C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001286604631 1060709965 /nfs/dbraw/zinc/70/99/65/1060709965.db2.gz NOIMVYSRSQVBSB-AUSIDOKSSA-N 1 1 471.602 2.712 20 30 JFEDMO C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001286604634 1060710128 /nfs/dbraw/zinc/71/01/28/1060710128.db2.gz VRMQQUCJWCGRKY-RUZDIDTESA-N 1 1 471.602 2.856 20 30 JFEDMO C=C(C)COCCn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001286613786 1060727053 /nfs/dbraw/zinc/72/70/53/1060727053.db2.gz FTNGLCYJVBVVKF-OFVILXPXSA-N 1 1 477.650 2.601 20 30 JFEDMO C=C(C)COCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCOC)CC1 ZINC001286613791 1060727547 /nfs/dbraw/zinc/72/75/47/1060727547.db2.gz FWEXJARRQZICSB-FQEVSTJZSA-N 1 1 478.638 2.711 20 30 JFEDMO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001286621091 1060737961 /nfs/dbraw/zinc/73/79/61/1060737961.db2.gz ZRKIKWUNQDGUDU-HKUYNNGSSA-N 1 1 467.039 2.599 20 30 JFEDMO C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286622637 1060739498 /nfs/dbraw/zinc/73/94/98/1060739498.db2.gz JJFBFUFPSAIERM-NRFANRHFSA-N 1 1 490.008 2.837 20 30 JFEDMO C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286626324 1060744183 /nfs/dbraw/zinc/74/41/83/1060744183.db2.gz RZHFTQACJXHHAL-UZLBHIALSA-N 1 1 489.020 2.704 20 30 JFEDMO C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286626390 1060744889 /nfs/dbraw/zinc/74/48/89/1060744889.db2.gz UVTHHTSBWPVBCU-HRAATJIYSA-N 1 1 489.020 2.704 20 30 JFEDMO C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001286632642 1060753180 /nfs/dbraw/zinc/75/31/80/1060753180.db2.gz KVDGSOBXKRBZLX-UHFFFAOYSA-N 1 1 458.014 2.565 20 30 JFEDMO C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001286636508 1060756876 /nfs/dbraw/zinc/75/68/76/1060756876.db2.gz CLXGXKNVBLZJBN-UHFFFAOYSA-N 1 1 480.661 2.960 20 30 JFEDMO C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286651821 1060767338 /nfs/dbraw/zinc/76/73/38/1060767338.db2.gz MOUIOHOURYWBST-MOPGFXCFSA-N 1 1 452.669 2.945 20 30 JFEDMO C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC001286654791 1060771973 /nfs/dbraw/zinc/77/19/73/1060771973.db2.gz KCKRVTFSRBKTNC-QFIPXVFZSA-N 1 1 487.670 2.988 20 30 JFEDMO C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001286666570 1060779031 /nfs/dbraw/zinc/77/90/31/1060779031.db2.gz CLGGVBJBDDBTAB-GOSISDBHSA-N 1 1 478.638 2.952 20 30 JFEDMO C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCOC)CC1)c1ccccc1 ZINC001286678505 1060791860 /nfs/dbraw/zinc/79/18/60/1060791860.db2.gz YLLWZNRRGNXONJ-QFIPXVFZSA-N 1 1 452.603 2.642 20 30 JFEDMO C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286685754 1060798232 /nfs/dbraw/zinc/79/82/32/1060798232.db2.gz YJFXPNAJXJUKMR-JOCHJYFZSA-N 1 1 453.635 2.928 20 30 JFEDMO C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001286692179 1060803772 /nfs/dbraw/zinc/80/37/72/1060803772.db2.gz COYNUCXJTAFULL-UFYCRDLUSA-N 1 1 452.669 2.945 20 30 JFEDMO C=CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286703684 1060816292 /nfs/dbraw/zinc/81/62/92/1060816292.db2.gz FWPAKFRXTXOSDV-AUSIDOKSSA-N 1 1 470.593 2.951 20 30 JFEDMO C=CCCOCCn1c(-c2ccccc2F)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286709536 1060827255 /nfs/dbraw/zinc/82/72/55/1060827255.db2.gz XBBITNHSRZGNQP-CVDCTZTESA-N 1 1 470.593 2.666 20 30 JFEDMO C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001286716690 1060841239 /nfs/dbraw/zinc/84/12/39/1060841239.db2.gz PWJYEXPEMXQJPZ-DXBBTUNJSA-N 1 1 461.651 2.946 20 30 JFEDMO C=CCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001286716693 1060841835 /nfs/dbraw/zinc/84/18/35/1060841835.db2.gz PWJYEXPEMXQJPZ-LNRXMEIDSA-N 1 1 461.651 2.946 20 30 JFEDMO C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCN1CC[NH+](CC)CC1 ZINC001286727319 1060848411 /nfs/dbraw/zinc/84/84/11/1060848411.db2.gz PHHJBAYYHHKGLY-NRFANRHFSA-N 1 1 491.681 2.626 20 30 JFEDMO C=CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001286745424 1060870280 /nfs/dbraw/zinc/87/02/80/1060870280.db2.gz VUDTYNLKDHQGGT-LOSJGSFVSA-N 1 1 473.593 2.717 20 30 JFEDMO C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286777713 1060914416 /nfs/dbraw/zinc/91/44/16/1060914416.db2.gz ILQRTDSMEMAEKS-OAQYLSRUSA-N 1 1 486.686 2.996 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001286783836 1060934884 /nfs/dbraw/zinc/93/48/84/1060934884.db2.gz NGRGLGPVUZZECI-MOPGFXCFSA-N 1 1 470.618 2.962 20 30 JFEDMO C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001286788272 1060946128 /nfs/dbraw/zinc/94/61/28/1060946128.db2.gz SWSWNCIBKLTJKJ-RBBKRZOGSA-N 1 1 452.603 2.923 20 30 JFEDMO C=CCO[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001286799211 1060981720 /nfs/dbraw/zinc/98/17/20/1060981720.db2.gz TXQIBWNLAAMVKE-NRFANRHFSA-N 1 1 471.005 2.905 20 30 JFEDMO C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001286809990 1061000088 /nfs/dbraw/zinc/00/00/88/1061000088.db2.gz MTVRELHJCGOFCS-CIAFKFPVSA-N 1 1 479.691 2.720 20 30 JFEDMO C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001286810628 1061001999 /nfs/dbraw/zinc/00/19/99/1061001999.db2.gz UDVDPOGEKSNBHZ-CTNGQTDRSA-N 1 1 465.664 2.616 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001286819262 1061040437 /nfs/dbraw/zinc/04/04/37/1061040437.db2.gz FTFPXSBXWAJOEC-JOCHJYFZSA-N 1 1 480.638 2.960 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286823551 1061063272 /nfs/dbraw/zinc/06/32/72/1061063272.db2.gz WCTLCXHCIZEBML-UHFFFAOYSA-N 1 1 480.704 2.793 20 30 JFEDMO C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001286823831 1061064554 /nfs/dbraw/zinc/06/45/54/1061064554.db2.gz QFKJIFNTASMXQD-FQEVSTJZSA-N 1 1 456.616 2.587 20 30 JFEDMO C=CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001286823831 1061064571 /nfs/dbraw/zinc/06/45/71/1061064571.db2.gz QFKJIFNTASMXQD-FQEVSTJZSA-N 1 1 456.616 2.587 20 30 JFEDMO C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286831029 1061078685 /nfs/dbraw/zinc/07/86/85/1061078685.db2.gz ZPTJJHHRILQSEL-OAQYLSRUSA-N 1 1 454.644 2.916 20 30 JFEDMO C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286830825 1061078804 /nfs/dbraw/zinc/07/88/04/1061078804.db2.gz VKHJSZNOSXAMAO-KNQAVFIVSA-N 1 1 469.659 2.638 20 30 JFEDMO C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286833073 1061083171 /nfs/dbraw/zinc/08/31/71/1061083171.db2.gz UQCNIOLBVYRERR-YADHBBJMSA-N 1 1 478.707 2.670 20 30 JFEDMO C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001286833112 1061083248 /nfs/dbraw/zinc/08/32/48/1061083248.db2.gz VOMCOGLVRHZKPE-HXUWFJFHSA-N 1 1 459.664 2.764 20 30 JFEDMO CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286858935 1061222581 /nfs/dbraw/zinc/22/25/81/1061222581.db2.gz JWBMQEBLTNZNGW-QFIPXVFZSA-N 1 1 479.629 2.622 20 30 JFEDMO CC(=O)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286858935 1061222603 /nfs/dbraw/zinc/22/26/03/1061222603.db2.gz JWBMQEBLTNZNGW-QFIPXVFZSA-N 1 1 479.629 2.622 20 30 JFEDMO Cc1ccc(NC(=O)c2nnc(N3CCc4[nH]c(=O)c(C#N)cc4C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289736242 1061348651 /nfs/dbraw/zinc/34/86/51/1061348651.db2.gz XPUVLZLTJMVNLX-KRWDZBQOSA-N 1 1 474.569 2.632 20 30 JFEDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001286964580 1061738981 /nfs/dbraw/zinc/73/89/81/1061738981.db2.gz CFCWLTSSBLSRMQ-OALUTQOASA-N 1 1 472.663 2.954 20 30 JFEDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001286964582 1061739065 /nfs/dbraw/zinc/73/90/65/1061739065.db2.gz CFCWLTSSBLSRMQ-RBUKOAKNSA-N 1 1 472.663 2.954 20 30 JFEDMO CCCC[N@H+](C)CCn1c(N2CCc3[nH]c(=O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294228380 1061742999 /nfs/dbraw/zinc/74/29/99/1061742999.db2.gz CUYANFARKHXCTJ-RUZDIDTESA-N 1 1 483.617 2.586 20 30 JFEDMO CCCC[N@@H+](C)CCn1c(N2CCc3[nH]c(=O)c(C#N)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294228380 1061743015 /nfs/dbraw/zinc/74/30/15/1061743015.db2.gz CUYANFARKHXCTJ-RUZDIDTESA-N 1 1 483.617 2.586 20 30 JFEDMO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001286981860 1061822426 /nfs/dbraw/zinc/82/24/26/1061822426.db2.gz LMLVHSJTBQYNEC-GOTSBHOMSA-N 1 1 493.656 2.795 20 30 JFEDMO CC(C)(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC001287014621 1061949048 /nfs/dbraw/zinc/94/90/48/1061949048.db2.gz JTHIFCVAMVSFEF-VXKWHMMOSA-N 1 1 452.603 2.915 20 30 JFEDMO CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001294394050 1061965434 /nfs/dbraw/zinc/96/54/34/1061965434.db2.gz WCDJBHQRFXHORC-HSZRJFAPSA-N 1 1 451.619 2.850 20 30 JFEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)C1 ZINC001294460790 1062008891 /nfs/dbraw/zinc/00/88/91/1062008891.db2.gz LGVYCXOCIYGDCK-HUFXOUDFSA-N 1 1 452.603 2.915 20 30 JFEDMO 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20 30 JFEDMO CCN1CC[NH+](CCCn2c(N3CCN(c4ccccc4C#N)CC3)nnc2C(C)(C)C)CC1 ZINC001296215355 1064417483 /nfs/dbraw/zinc/41/74/83/1064417483.db2.gz RRHCYLCQMZLVLN-UHFFFAOYSA-N 1 1 464.662 2.801 20 30 JFEDMO CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001296307171 1064587380 /nfs/dbraw/zinc/58/73/80/1064587380.db2.gz CGKLJAGIWCVXEK-VQTJNVASSA-N 1 1 464.618 2.789 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292076230 1064757516 /nfs/dbraw/zinc/75/75/16/1064757516.db2.gz NAQPHHXLFNPJLH-GOSISDBHSA-N 1 1 494.644 2.852 20 30 JFEDMO CCc1ccc(-c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CCNC(=O)C2N=CC=CC2=O)cc1 ZINC001292483196 1065204745 /nfs/dbraw/zinc/20/47/45/1065204745.db2.gz BYBJKJUGUJZZEW-GFJFTICVSA-N 1 1 477.613 2.953 20 30 JFEDMO CCc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001292599603 1065320252 /nfs/dbraw/zinc/32/02/52/1065320252.db2.gz XVVDWWYLOIIIOH-HYBUGGRVSA-N 1 1 456.566 2.708 20 30 JFEDMO CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[N@@H+](CCOC)[C@@H](CC)C2)s1 ZINC001292785782 1065547951 /nfs/dbraw/zinc/54/79/51/1065547951.db2.gz OQFNAZZMWFWSSA-IBGZPJMESA-N 1 1 466.615 2.826 20 30 JFEDMO CCc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001293199530 1065828379 /nfs/dbraw/zinc/82/83/79/1065828379.db2.gz UHBJOFLHMWAYEJ-SFHVURJKSA-N 1 1 479.585 2.793 20 30 JFEDMO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001293218477 1065862362 /nfs/dbraw/zinc/86/23/62/1065862362.db2.gz QZPQYFCCJDGBSD-GOSISDBHSA-N 1 1 463.508 2.806 20 30 JFEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC[N@H+]1CCOC ZINC001293541600 1066061376 /nfs/dbraw/zinc/06/13/76/1066061376.db2.gz KBEBHUSISWPTMM-MZYLBHOOSA-N 1 1 452.603 2.915 20 30 JFEDMO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001293638996 1066156956 /nfs/dbraw/zinc/15/69/56/1066156956.db2.gz NDCSYSPVVWJECG-TZIWHRDSSA-N 1 1 468.602 2.843 20 30 JFEDMO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H](C)O1 ZINC001293638996 1066156958 /nfs/dbraw/zinc/15/69/58/1066156958.db2.gz NDCSYSPVVWJECG-TZIWHRDSSA-N 1 1 468.602 2.843 20 30 JFEDMO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC[N@H+]1CCOC ZINC001293642031 1066158195 /nfs/dbraw/zinc/15/81/95/1066158195.db2.gz ZXXINVIKJRVKSC-HXUWFJFHSA-N 1 1 465.558 2.621 20 30 JFEDMO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001293767071 1066257431 /nfs/dbraw/zinc/25/74/31/1066257431.db2.gz SVTCXPCMHGCORJ-UHFFFAOYSA-N 1 1 492.672 2.728 20 30 JFEDMO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001293767071 1066257438 /nfs/dbraw/zinc/25/74/38/1066257438.db2.gz SVTCXPCMHGCORJ-UHFFFAOYSA-N 1 1 492.672 2.728 20 30 JFEDMO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001293767071 1066257444 /nfs/dbraw/zinc/25/74/44/1066257444.db2.gz SVTCXPCMHGCORJ-UHFFFAOYSA-N 1 1 492.672 2.728 20 30 JFEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001293823214 1066331702 /nfs/dbraw/zinc/33/17/02/1066331702.db2.gz APCIAAIIDAVREY-NRFANRHFSA-N 1 1 454.615 2.964 20 30 JFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001164684483 719728371 /nfs/dbraw/zinc/72/83/71/719728371.db2.gz HJQJFHVYIGSZAD-UHFFFAOYSA-N 1 1 469.920 2.509 20 30 JFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739180 720820970 /nfs/dbraw/zinc/82/09/70/720820970.db2.gz HNAVQNUWPRVYMV-QWFCFKBJSA-N 1 1 469.977 2.754 20 30 JFEDMO N#Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164750325 720857707 /nfs/dbraw/zinc/85/77/07/720857707.db2.gz PMFLBXVTDTUGJJ-GREBRCKQSA-N 1 1 458.526 2.986 20 30 JFEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867205 721111418 /nfs/dbraw/zinc/11/14/18/721111418.db2.gz WVEYTJKMYFBECH-VXKWHMMOSA-N 1 1 464.642 2.972 20 30 JFEDMO 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JFEDMO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001286305208 1060057524 /nfs/dbraw/zinc/05/75/24/1060057524.db2.gz LRJALFBTAAAZLU-BURNTYAHSA-N 1 1 474.650 2.864 20 30 JFEDMO C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC001286309360 1060063580 /nfs/dbraw/zinc/06/35/80/1060063580.db2.gz KRTJRBWPCXUIDP-JOCHJYFZSA-N 1 1 450.587 2.569 20 30 JFEDMO C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001286337829 1060092401 /nfs/dbraw/zinc/09/24/01/1060092401.db2.gz WHHGJHUYLKNEAS-IBGZPJMESA-N 1 1 474.451 2.676 20 30 JFEDMO C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001286339474 1060094831 /nfs/dbraw/zinc/09/48/31/1060094831.db2.gz MOLVSPAXKORETL-INIZCTEOSA-N 1 1 460.376 2.650 20 30 JFEDMO C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001286339474 1060094850 /nfs/dbraw/zinc/09/48/50/1060094850.db2.gz MOLVSPAXKORETL-INIZCTEOSA-N 1 1 460.376 2.650 20 30 JFEDMO C#CCCCn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286342474 1060097879 /nfs/dbraw/zinc/09/78/79/1060097879.db2.gz QUTWQKGBAXRLPE-URXFXBBRSA-N 1 1 494.640 2.973 20 30 JFEDMO C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001286343681 1060098856 /nfs/dbraw/zinc/09/88/56/1060098856.db2.gz BKNOPDHBXGOKFW-OAQYLSRUSA-N 1 1 480.613 2.509 20 30 JFEDMO C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001286355852 1060112068 /nfs/dbraw/zinc/11/20/68/1060112068.db2.gz CDWOILJXHOHAPL-XUZZJYLKSA-N 1 1 463.634 2.806 20 30 JFEDMO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286367543 1060131216 /nfs/dbraw/zinc/13/12/16/1060131216.db2.gz AZECHQGOOJRFCZ-UHFFFAOYSA-N 1 1 451.438 2.865 20 30 JFEDMO C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001286367543 1060131231 /nfs/dbraw/zinc/13/12/31/1060131231.db2.gz AZECHQGOOJRFCZ-UHFFFAOYSA-N 1 1 451.438 2.865 20 30 JFEDMO 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C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286460755 1060346107 /nfs/dbraw/zinc/34/61/07/1060346107.db2.gz JDVJQODQJOMEGW-HXUWFJFHSA-N 1 1 452.578 2.911 20 30 JFEDMO C#CCN(CCOC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001286465230 1060352807 /nfs/dbraw/zinc/35/28/07/1060352807.db2.gz KGKUAMXZANWCMJ-LEWJYISDSA-N 1 1 486.661 2.963 20 30 JFEDMO C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001286472383 1060368649 /nfs/dbraw/zinc/36/86/49/1060368649.db2.gz HHIQDAJOQZATBW-LJQANCHMSA-N 1 1 488.478 2.922 20 30 JFEDMO C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001286472955 1060371722 /nfs/dbraw/zinc/37/17/22/1060371722.db2.gz XTAGNRKXMVTFMS-JTHBVZDNSA-N 1 1 458.651 2.554 20 30 JFEDMO C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286473672 1060376631 /nfs/dbraw/zinc/37/66/31/1060376631.db2.gz QKNLFRDJZVGJLI-BGYRXZFFSA-N 1 1 488.583 2.801 20 30 JFEDMO C#CCN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001286474556 1060384609 /nfs/dbraw/zinc/38/46/09/1060384609.db2.gz MLTTWBWFZOSHPM-QGZVFWFLSA-N 1 1 475.410 2.944 20 30 JFEDMO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286485142 1060423254 /nfs/dbraw/zinc/42/32/54/1060423254.db2.gz WBORMBIWWXFPPH-QFIPXVFZSA-N 1 1 452.651 2.550 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCn2cc[nH+]c2C)CC1 ZINC001286487503 1060444354 /nfs/dbraw/zinc/44/43/54/1060444354.db2.gz GBIIUCFSDPXDMU-SFHVURJKSA-N 1 1 479.560 2.728 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C[N@H+](C)CC)c2)CC1 ZINC001286491543 1060486564 /nfs/dbraw/zinc/48/65/64/1060486564.db2.gz WTTIRJCCHZPROI-UHFFFAOYSA-N 1 1 485.636 2.730 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001286493708 1060503722 /nfs/dbraw/zinc/50/37/22/1060503722.db2.gz PGASRDOGQKSIOH-HSZRJFAPSA-N 1 1 464.614 2.618 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286493842 1060504127 /nfs/dbraw/zinc/50/41/27/1060504127.db2.gz QIDUNGOSFQTQJM-UNMCSNQZSA-N 1 1 470.662 2.648 20 30 JFEDMO C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001286498632 1060518793 /nfs/dbraw/zinc/51/87/93/1060518793.db2.gz CAKQHEPOGRZUFY-IBGZPJMESA-N 1 1 457.600 2.587 20 30 JFEDMO C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286498789 1060519726 /nfs/dbraw/zinc/51/97/26/1060519726.db2.gz ANNHYLWXVVESGD-RDPSFJRHSA-N 1 1 496.681 2.699 20 30 JFEDMO C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001286499162 1060521096 /nfs/dbraw/zinc/52/10/96/1060521096.db2.gz FGTLGEKZVLRJSH-LJQANCHMSA-N 1 1 465.627 2.859 20 30 JFEDMO C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001286504616 1060530405 /nfs/dbraw/zinc/53/04/05/1060530405.db2.gz OOCIVPKTQWHJEZ-RBUKOAKNSA-N 1 1 479.654 2.960 20 30 JFEDMO C#CCSCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286506130 1060534243 /nfs/dbraw/zinc/53/42/43/1060534243.db2.gz QIWSQGCBMVZEKR-GBXCKJPGSA-N 1 1 498.672 2.753 20 30 JFEDMO C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286507664 1060536534 /nfs/dbraw/zinc/53/65/34/1060536534.db2.gz CLHSCXNFORVETN-NFBKMPQASA-N 1 1 472.703 2.756 20 30 JFEDMO C#CCSCCn1c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001286512979 1060548017 /nfs/dbraw/zinc/54/80/17/1060548017.db2.gz PFZZKNTXEQIRAY-SANMLTNESA-N 1 1 494.665 2.881 20 30 JFEDMO C=C(Br)Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286529951 1060560986 /nfs/dbraw/zinc/56/09/86/1060560986.db2.gz BCTOOAXMTMYWEJ-QAPCUYQASA-N 1 1 453.429 2.689 20 30 JFEDMO C=C(Br)Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286529949 1060561060 /nfs/dbraw/zinc/56/10/60/1060561060.db2.gz BCTOOAXMTMYWEJ-CRAIPNDOSA-N 1 1 453.429 2.689 20 30 JFEDMO C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC001286531071 1060565436 /nfs/dbraw/zinc/56/54/36/1060565436.db2.gz UXWSUABSCXZEHX-KRWDZBQOSA-N 1 1 492.422 2.771 20 30 JFEDMO C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286533592 1060570393 /nfs/dbraw/zinc/57/03/93/1060570393.db2.gz YFBWQOIRJUOQLZ-SFHVURJKSA-N 1 1 477.382 2.736 20 30 JFEDMO C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286539273 1060582746 /nfs/dbraw/zinc/58/27/46/1060582746.db2.gz XXFPCUQOLMHZQE-LJQANCHMSA-N 1 1 467.456 2.685 20 30 JFEDMO C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC001286541953 1060586238 /nfs/dbraw/zinc/58/62/38/1060586238.db2.gz GNMPCLZEBPXMCO-GOSISDBHSA-N 1 1 466.428 2.595 20 30 JFEDMO C=C(Br)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286542628 1060588127 /nfs/dbraw/zinc/58/81/27/1060588127.db2.gz CUHKTIVEHGACBA-HNAYVOBHSA-N 1 1 465.440 2.518 20 30 JFEDMO C=C(Br)Cn1c(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001286548245 1060600774 /nfs/dbraw/zinc/60/07/74/1060600774.db2.gz VEXUVVYEQILKJP-MAUKXSAKSA-N 1 1 467.456 2.863 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001286553077 1060617188 /nfs/dbraw/zinc/61/71/88/1060617188.db2.gz CNRZAXDWFJEREX-VSKRKVRLSA-N 1 1 461.651 2.948 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001286555751 1060623699 /nfs/dbraw/zinc/62/36/99/1060623699.db2.gz YTOIUPIFLHMWRI-SRUXOGRHSA-N 1 1 477.650 2.673 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001286566427 1060654910 /nfs/dbraw/zinc/65/49/10/1060654910.db2.gz MTFPPKJMZFOIMT-LFAGZIFBSA-N 1 1 480.613 2.867 20 30 JFEDMO C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001286566845 1060655659 /nfs/dbraw/zinc/65/56/59/1060655659.db2.gz JTQNETHHYKZDFT-OALUTQOASA-N 1 1 460.648 2.738 20 30 JFEDMO C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001286566849 1060655704 /nfs/dbraw/zinc/65/57/04/1060655704.db2.gz JTQNETHHYKZDFT-RTBURBONSA-N 1 1 460.648 2.738 20 30 JFEDMO C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001286578751 1060665364 /nfs/dbraw/zinc/66/53/64/1060665364.db2.gz JJBVFYCPLRBQIG-FGZHOGPDSA-N 1 1 452.603 2.637 20 30 JFEDMO C=C(C)CN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001286581491 1060668495 /nfs/dbraw/zinc/66/84/95/1060668495.db2.gz JRWLICFWUFDPCL-DEOSSOPVSA-N 1 1 462.639 2.862 20 30 JFEDMO C=C(C)CN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001286581849 1060670406 /nfs/dbraw/zinc/67/04/06/1060670406.db2.gz WDQFSPNRAMYYIP-RTWAWAEBSA-N 1 1 492.665 2.957 20 30 JFEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286584286 1060673988 /nfs/dbraw/zinc/67/39/88/1060673988.db2.gz DANPYUQOAKWVCY-BEFAXECRSA-N 1 1 476.423 2.601 20 30 JFEDMO C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286597483 1060697844 /nfs/dbraw/zinc/69/78/44/1060697844.db2.gz OLWUHYREMFJKDF-RXVVDRJESA-N 1 1 456.566 2.561 20 30 JFEDMO C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286597478 1060697880 /nfs/dbraw/zinc/69/78/80/1060697880.db2.gz OLWUHYREMFJKDF-GHTZIAJQSA-N 1 1 456.566 2.561 20 30 JFEDMO C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286598750 1060699832 /nfs/dbraw/zinc/69/98/32/1060699832.db2.gz BGNYPBWWZSNIGO-WSWWRLHASA-N 1 1 458.651 2.762 20 30 JFEDMO C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286601667 1060703493 /nfs/dbraw/zinc/70/34/93/1060703493.db2.gz SBRNSBKKFFXDJS-YKSBVNFPSA-N 1 1 477.613 2.684 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001286605535 1060712698 /nfs/dbraw/zinc/71/26/98/1060712698.db2.gz ZPRRXKRXBULWGG-QUCCMNQESA-N 1 1 459.616 2.614 20 30 JFEDMO C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001286607009 1060716138 /nfs/dbraw/zinc/71/61/38/1060716138.db2.gz ALXIFWRERLUWEY-RTWAWAEBSA-N 1 1 490.649 2.854 20 30 JFEDMO C=C(C)COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001286607007 1060716250 /nfs/dbraw/zinc/71/62/50/1060716250.db2.gz ALXIFWRERLUWEY-NHCUHLMSSA-N 1 1 490.649 2.854 20 30 JFEDMO C=C(C)COCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001286612556 1060724177 /nfs/dbraw/zinc/72/41/77/1060724177.db2.gz VSSRNFDYDAIYEM-NRFANRHFSA-N 1 1 492.665 2.754 20 30 JFEDMO C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286613165 1060726090 /nfs/dbraw/zinc/72/60/90/1060726090.db2.gz SHLNJPOQMGXUCP-RDGATRHJSA-N 1 1 496.656 2.747 20 30 JFEDMO C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](CCOCC)[C@@H](CC)C1)c1ccccc1 ZINC001286617827 1060733246 /nfs/dbraw/zinc/73/32/46/1060733246.db2.gz UBRRSMHHZJBCFN-VXKWHMMOSA-N 1 1 452.603 2.880 20 30 JFEDMO C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001286626147 1060744130 /nfs/dbraw/zinc/74/41/30/1060744130.db2.gz XRFIURBSCMTJCT-IBGZPJMESA-N 1 1 456.978 2.598 20 30 JFEDMO C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286627380 1060746997 /nfs/dbraw/zinc/74/69/97/1060746997.db2.gz ZYADXQLWHUYEQO-HRAATJIYSA-N 1 1 458.010 2.780 20 30 JFEDMO C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001286629669 1060749738 /nfs/dbraw/zinc/74/97/38/1060749738.db2.gz HBSZSNPVPHSOIH-UHFFFAOYSA-N 1 1 460.985 2.895 20 30 JFEDMO C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001286629669 1060749749 /nfs/dbraw/zinc/74/97/49/1060749749.db2.gz HBSZSNPVPHSOIH-UHFFFAOYSA-N 1 1 460.985 2.895 20 30 JFEDMO C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001286650126 1060765674 /nfs/dbraw/zinc/76/56/74/1060765674.db2.gz XSUGUHFJUJLWAK-HSZRJFAPSA-N 1 1 477.613 2.828 20 30 JFEDMO C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286670323 1060782161 /nfs/dbraw/zinc/78/21/61/1060782161.db2.gz GPDZSNQZDMEFSS-DENIHFKCSA-N 1 1 468.650 2.660 20 30 JFEDMO C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001286674524 1060788805 /nfs/dbraw/zinc/78/88/05/1060788805.db2.gz GGAIUDUZOUPNQV-UHFFFAOYSA-N 1 1 482.677 2.877 20 30 JFEDMO C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001286674524 1060788817 /nfs/dbraw/zinc/78/88/17/1060788817.db2.gz GGAIUDUZOUPNQV-UHFFFAOYSA-N 1 1 482.677 2.877 20 30 JFEDMO C=CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286703687 1060816157 /nfs/dbraw/zinc/81/61/57/1060816157.db2.gz FWPAKFRXTXOSDV-XXBNENTESA-N 1 1 470.593 2.951 20 30 JFEDMO C=CCCOCCn1c(-c2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286709538 1060827291 /nfs/dbraw/zinc/82/72/91/1060827291.db2.gz XBBITNHSRZGNQP-XXBNENTESA-N 1 1 470.593 2.666 20 30 JFEDMO C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001286745427 1060870367 /nfs/dbraw/zinc/87/03/67/1060870367.db2.gz VUDTYNLKDHQGGT-RPBOFIJWSA-N 1 1 473.593 2.717 20 30 JFEDMO C=CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286765911 1060893633 /nfs/dbraw/zinc/89/36/33/1060893633.db2.gz WJUDCVKHZICKRK-UHFFFAOYSA-N 1 1 481.439 2.796 20 30 JFEDMO C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001286766787 1060895972 /nfs/dbraw/zinc/89/59/72/1060895972.db2.gz WMQSCFPIOKZFAW-PMACEKPBSA-N 1 1 461.632 2.883 20 30 JFEDMO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001286766788 1060896034 /nfs/dbraw/zinc/89/60/34/1060896034.db2.gz WMQSCFPIOKZFAW-UXHICEINSA-N 1 1 461.632 2.883 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001286782086 1060927840 /nfs/dbraw/zinc/92/78/40/1060927840.db2.gz JZTNTNPDZKTPJE-KGLIPLIRSA-N 1 1 467.437 2.990 20 30 JFEDMO C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001286789169 1060948604 /nfs/dbraw/zinc/94/86/04/1060948604.db2.gz PXOZNGJXXFAETB-SFHVURJKSA-N 1 1 451.600 2.511 20 30 JFEDMO C=CCOc1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286794639 1060969364 /nfs/dbraw/zinc/96/93/64/1060969364.db2.gz MYBZPKQXHJKOTC-DVECYGJZSA-N 1 1 452.603 2.579 20 30 JFEDMO C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286813267 1061006884 /nfs/dbraw/zinc/00/68/84/1061006884.db2.gz YUCYLRDHWWEYAH-VWPQPMDRSA-N 1 1 454.619 2.933 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001286815166 1061015045 /nfs/dbraw/zinc/01/50/45/1061015045.db2.gz NQAFAKBVEFQADC-UHFFFAOYSA-N 1 1 491.658 2.874 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286817301 1061029981 /nfs/dbraw/zinc/02/99/81/1061029981.db2.gz SPBREOVAHGXKFI-ICSRJNTNSA-N 1 1 489.642 2.626 20 30 JFEDMO C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001286827239 1061074540 /nfs/dbraw/zinc/07/45/40/1061074540.db2.gz HVGQRCMCKBRBQO-JOCHJYFZSA-N 1 1 451.644 2.952 20 30 JFEDMO C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286834207 1061085738 /nfs/dbraw/zinc/08/57/38/1061085738.db2.gz CSIHKIZXUNPNPZ-JOCHJYFZSA-N 1 1 484.670 2.828 20 30 JFEDMO CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001286858933 1061222670 /nfs/dbraw/zinc/22/26/70/1061222670.db2.gz JWBMQEBLTNZNGW-JOCHJYFZSA-N 1 1 479.629 2.622 20 30 JFEDMO CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001286858933 1061222694 /nfs/dbraw/zinc/22/26/94/1061222694.db2.gz JWBMQEBLTNZNGW-JOCHJYFZSA-N 1 1 479.629 2.622 20 30 JFEDMO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001286902261 1061396467 /nfs/dbraw/zinc/39/64/67/1061396467.db2.gz MDRWIUHHCGBWEC-VHYCJAOWSA-N 1 1 479.629 2.547 20 30 JFEDMO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001286943269 1061601212 /nfs/dbraw/zinc/60/12/12/1061601212.db2.gz ZRRAGLOQFJQLQP-LADGPHEKSA-N 1 1 479.629 2.526 20 30 JFEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294308622 1061797103 /nfs/dbraw/zinc/79/71/03/1061797103.db2.gz MHMZPJJGVMYHMW-JOCHJYFZSA-N 1 1 464.618 2.933 20 30 JFEDMO CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001294394051 1061965361 /nfs/dbraw/zinc/96/53/61/1061965361.db2.gz WCDJBHQRFXHORC-QHCPKHFHSA-N 1 1 451.619 2.850 20 30 JFEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294460339 1062008335 /nfs/dbraw/zinc/00/83/35/1062008335.db2.gz CRZNAKZYVWLPOX-OAQYLSRUSA-N 1 1 470.643 2.810 20 30 JFEDMO CC(C)(C)[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001287042175 1062011690 /nfs/dbraw/zinc/01/16/90/1062011690.db2.gz BZZGOCIOYLOYIU-FQEVSTJZSA-N 1 1 470.643 2.952 20 30 JFEDMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001294522248 1062058002 /nfs/dbraw/zinc/05/80/02/1062058002.db2.gz RLADUNFXJHNPJQ-QFIPXVFZSA-N 1 1 499.685 2.500 20 30 JFEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294649182 1062190963 /nfs/dbraw/zinc/19/09/63/1062190963.db2.gz YXLMNHFURDNZQE-IRLDBZIGSA-N 1 1 470.643 2.952 20 30 JFEDMO CCC[N@H+]1CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 ZINC001294656089 1062201002 /nfs/dbraw/zinc/20/10/02/1062201002.db2.gz DEJWZRDXIHKXSX-FQEVSTJZSA-N 1 1 467.666 2.839 20 30 JFEDMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001294698825 1062261489 /nfs/dbraw/zinc/26/14/89/1062261489.db2.gz ZNOWHSKBCITJOF-NQIIRXRSSA-N 1 1 473.647 2.661 20 30 JFEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294700435 1062265964 /nfs/dbraw/zinc/26/59/64/1062265964.db2.gz SOVRLLWHJWEEJK-SFTDATJTSA-N 1 1 456.616 2.705 20 30 JFEDMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001290505501 1062302556 /nfs/dbraw/zinc/30/25/56/1062302556.db2.gz ATGHPTOMRCARIU-UHFFFAOYSA-N 1 1 496.641 2.662 20 30 JFEDMO Cc1[nH+]ccn1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001290522014 1062322879 /nfs/dbraw/zinc/32/28/79/1062322879.db2.gz SZJGZQHWEDMKHL-HSZRJFAPSA-N 1 1 482.614 2.531 20 30 JFEDMO CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001294741113 1062326567 /nfs/dbraw/zinc/32/65/67/1062326567.db2.gz VIFZVVSZYWVZRQ-OAQYLSRUSA-N 1 1 479.629 2.909 20 30 JFEDMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294760337 1062350769 /nfs/dbraw/zinc/35/07/69/1062350769.db2.gz OPZRFYOGXIZVCY-PMACEKPBSA-N 1 1 452.559 2.602 20 30 JFEDMO CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[NH+](CCOC)CC2)cn1 ZINC001294952070 1062737939 /nfs/dbraw/zinc/73/79/39/1062737939.db2.gz AYWNMVVNBWLKAV-UHFFFAOYSA-N 1 1 461.570 2.817 20 30 JFEDMO CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295175127 1062998818 /nfs/dbraw/zinc/99/88/18/1062998818.db2.gz UPXPAENXYBQMDM-RTWAWAEBSA-N 1 1 470.643 2.951 20 30 JFEDMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O ZINC001291097805 1063061014 /nfs/dbraw/zinc/06/10/14/1063061014.db2.gz BXLITDSGFBOQEE-LJQANCHMSA-N 1 1 458.632 2.952 20 30 JFEDMO C[C@@H]1CCCC[N@@H+]1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001291099919 1063066594 /nfs/dbraw/zinc/06/65/94/1063066594.db2.gz PGMNOPPUHVQPSF-UXHICEINSA-N 1 1 465.602 2.660 20 30 JFEDMO CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001287758413 1063084168 /nfs/dbraw/zinc/08/41/68/1063084168.db2.gz BHLLBVCGVCGMFB-NRFANRHFSA-N 1 1 479.629 2.622 20 30 JFEDMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001291124206 1063141216 /nfs/dbraw/zinc/14/12/16/1063141216.db2.gz ZKWBMSNZHIUQQS-PZJWPPBQSA-N 1 1 486.642 2.589 20 30 JFEDMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001291124687 1063143747 /nfs/dbraw/zinc/14/37/47/1063143747.db2.gz INQCLYRWZUASOV-NHCUHLMSSA-N 1 1 479.629 2.908 20 30 JFEDMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001291124959 1063146726 /nfs/dbraw/zinc/14/67/26/1063146726.db2.gz MPDBAOBOLHBRSL-FPOVZHCZSA-N 1 1 465.602 2.552 20 30 JFEDMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001291136650 1063193450 /nfs/dbraw/zinc/19/34/50/1063193450.db2.gz BBMNPJLERNCMJQ-NTKDMRAZSA-N 1 1 485.658 2.810 20 30 JFEDMO C[C@@H]1CCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001291138900 1063200986 /nfs/dbraw/zinc/20/09/86/1063200986.db2.gz SIOPHSQWBUYPMH-GOSISDBHSA-N 1 1 477.535 2.897 20 30 JFEDMO C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)O1 ZINC001291218117 1063442485 /nfs/dbraw/zinc/44/24/85/1063442485.db2.gz NXRHUXLKBPAXPU-KNQAVFIVSA-N 1 1 479.629 2.763 20 30 JFEDMO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001291223145 1063462795 /nfs/dbraw/zinc/46/27/95/1063462795.db2.gz ANQIIHCYEGMULK-VQIMIIECSA-N 1 1 464.492 2.900 20 30 JFEDMO CC(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291277518 1063591834 /nfs/dbraw/zinc/59/18/34/1063591834.db2.gz FJMSSSMDMDPJCW-ZRCGQRJVSA-N 1 1 468.602 2.699 20 30 JFEDMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291288392 1063648471 /nfs/dbraw/zinc/64/84/71/1063648471.db2.gz RMAZONHNMWNXEE-DXIQSLLYSA-N 1 1 472.565 2.787 20 30 JFEDMO C[C@@H]1C[N@H+](CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)C[C@H](C)O1 ZINC001291293103 1063681856 /nfs/dbraw/zinc/68/18/56/1063681856.db2.gz PAPXPUXNSSBDBK-BGYRXZFFSA-N 1 1 463.586 2.968 20 30 JFEDMO C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001291314796 1063747080 /nfs/dbraw/zinc/74/70/80/1063747080.db2.gz JSDXLZGPOHNHQT-ICSRJNTNSA-N 1 1 456.616 2.517 20 30 JFEDMO CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001295748054 1063753547 /nfs/dbraw/zinc/75/35/47/1063753547.db2.gz MWBMICOHFSOVHB-JOCHJYFZSA-N 1 1 468.602 2.845 20 30 JFEDMO CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001295748054 1063753559 /nfs/dbraw/zinc/75/35/59/1063753559.db2.gz MWBMICOHFSOVHB-JOCHJYFZSA-N 1 1 468.602 2.845 20 30 JFEDMO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295755282 1063761676 /nfs/dbraw/zinc/76/16/76/1063761676.db2.gz XAUGLVWORMURJK-GOTSBHOMSA-N 1 1 479.629 2.765 20 30 JFEDMO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295755280 1063761776 /nfs/dbraw/zinc/76/17/76/1063761776.db2.gz XAUGLVWORMURJK-DHIUTWEWSA-N 1 1 479.629 2.765 20 30 JFEDMO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001291339465 1063812875 /nfs/dbraw/zinc/81/28/75/1063812875.db2.gz OHJFFQOHBCFIFY-PKTZIBPZSA-N 1 1 479.629 2.669 20 30 JFEDMO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001291339466 1063813417 /nfs/dbraw/zinc/81/34/17/1063813417.db2.gz OHJFFQOHBCFIFY-XZOQPEGZSA-N 1 1 479.629 2.669 20 30 JFEDMO CCN(C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+](CC)C(C)C)CC1)S(C)(=O)=O ZINC001295834990 1063851192 /nfs/dbraw/zinc/85/11/92/1063851192.db2.gz ZHTSDEHLYLWGBW-UHFFFAOYSA-N 1 1 487.674 2.797 20 30 JFEDMO CC[N@@H+](CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC001295850603 1063874118 /nfs/dbraw/zinc/87/41/18/1063874118.db2.gz XHWLDJFZHPYVRC-OAQYLSRUSA-N 1 1 452.607 2.843 20 30 JFEDMO CC[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CNC(=O)C2)CC1)C(C)C ZINC001295865918 1063899032 /nfs/dbraw/zinc/89/90/32/1063899032.db2.gz QTFIDWGGVZFSPM-UHFFFAOYSA-N 1 1 465.602 2.566 20 30 JFEDMO CC[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1)C1CC1 ZINC001295866472 1063900907 /nfs/dbraw/zinc/90/09/07/1063900907.db2.gz XSJOQTSKRUCZAE-LJQANCHMSA-N 1 1 452.559 2.602 20 30 JFEDMO CC[N@H+](CCn1c(N2CCc3[nH]c(=O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868856 1063905863 /nfs/dbraw/zinc/90/58/63/1063905863.db2.gz ZIVQTQQSOKSPTK-VWLOTQADSA-N 1 1 483.617 2.584 20 30 JFEDMO CC[N@@H+](CCn1c(N2CCc3[nH]c(=O)c(C#N)cc3C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868856 1063905874 /nfs/dbraw/zinc/90/58/74/1063905874.db2.gz ZIVQTQQSOKSPTK-VWLOTQADSA-N 1 1 483.617 2.584 20 30 JFEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296010856 1064069603 /nfs/dbraw/zinc/06/96/03/1064069603.db2.gz MRLHMBUYOZTTSJ-JTAQYXEDSA-N 1 1 479.629 2.906 20 30 JFEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H]1C ZINC001296012107 1064072725 /nfs/dbraw/zinc/07/27/25/1064072725.db2.gz RKAGMDZJEWFZJU-QKLOHGEXSA-N 1 1 493.612 2.611 20 30 JFEDMO CCN(C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1)S(C)(=O)=O ZINC001296060128 1064124254 /nfs/dbraw/zinc/12/42/54/1064124254.db2.gz NEAJJAOBYXXQRB-QFIPXVFZSA-N 1 1 485.658 2.551 20 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C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001286320483 1060079967 /nfs/dbraw/zinc/07/99/67/1060079967.db2.gz BLEQWNFTOZUTQK-UHFFFAOYSA-N 1 1 451.619 2.847 20 30 JFEDMO C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001286337088 1060090645 /nfs/dbraw/zinc/09/06/45/1060090645.db2.gz WUDLFMFYWFMXHC-ZRZAMGCNSA-N 1 1 466.678 2.938 20 30 JFEDMO C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC001286337123 1060091083 /nfs/dbraw/zinc/09/10/83/1060091083.db2.gz AIQZHMWMHJPEPU-APWZRJJASA-N 1 1 461.408 2.996 20 30 JFEDMO C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001286337486 1060091930 /nfs/dbraw/zinc/09/19/30/1060091930.db2.gz JICNJIATLMKXKX-NRFANRHFSA-N 1 1 461.408 2.761 20 30 JFEDMO C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC001286338037 1060092857 /nfs/dbraw/zinc/09/28/57/1060092857.db2.gz CPCFJLUQTYVCQN-UNMCSNQZSA-N 1 1 485.032 2.822 20 30 JFEDMO C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001286338034 1060092896 /nfs/dbraw/zinc/09/28/96/1060092896.db2.gz CPCFJLUQTYVCQN-IFMALSPDSA-N 1 1 485.032 2.822 20 30 JFEDMO C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001286338323 1060093291 /nfs/dbraw/zinc/09/32/91/1060093291.db2.gz BCDCHOWNBOJAHU-UHFFFAOYSA-N 1 1 462.558 2.939 20 30 JFEDMO C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286338740 1060093646 /nfs/dbraw/zinc/09/36/46/1060093646.db2.gz DQACWYWRLPHICJ-HXUWFJFHSA-N 1 1 472.540 2.703 20 30 JFEDMO C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001286339477 1060094582 /nfs/dbraw/zinc/09/45/82/1060094582.db2.gz MOLVSPAXKORETL-MRXNPFEDSA-N 1 1 460.376 2.650 20 30 JFEDMO C#CCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001286339477 1060094598 /nfs/dbraw/zinc/09/45/98/1060094598.db2.gz MOLVSPAXKORETL-MRXNPFEDSA-N 1 1 460.376 2.650 20 30 JFEDMO C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001286339787 1060095247 /nfs/dbraw/zinc/09/52/47/1060095247.db2.gz ZEDGSLBBUCDQHG-URVUXULASA-N 1 1 472.659 2.791 20 30 JFEDMO C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001286340179 1060096219 /nfs/dbraw/zinc/09/62/19/1060096219.db2.gz USGDKDBNLTVGSS-UHFFFAOYSA-N 1 1 472.659 2.919 20 30 JFEDMO C#CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC001286349028 1060104282 /nfs/dbraw/zinc/10/42/82/1060104282.db2.gz RTAKBOYOYIKDRM-HXUWFJFHSA-N 1 1 477.613 2.543 20 30 JFEDMO C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001286349627 1060106241 /nfs/dbraw/zinc/10/62/41/1060106241.db2.gz LAQOTWAJPWWOKX-QHCPKHFHSA-N 1 1 469.655 2.942 20 30 JFEDMO C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCC[N@@H+]1CCC ZINC001286365518 1060129048 /nfs/dbraw/zinc/12/90/48/1060129048.db2.gz CITYZFMRZYODQU-FQEVSTJZSA-N 1 1 458.632 2.529 20 30 JFEDMO C#CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286368024 1060132166 /nfs/dbraw/zinc/13/21/66/1060132166.db2.gz FPINOUZMVFWEBW-UHFFFAOYSA-N 1 1 479.810 2.595 20 30 JFEDMO C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382026 1060153264 /nfs/dbraw/zinc/15/32/64/1060153264.db2.gz IRPDZHLJTZXOMM-JAXLGGSGSA-N 1 1 485.654 2.701 20 30 JFEDMO C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286387974 1060205614 /nfs/dbraw/zinc/20/56/14/1060205614.db2.gz JHQWJGGQWRGHST-RBBKRZOGSA-N 1 1 485.654 2.845 20 30 JFEDMO C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001286388529 1060211725 /nfs/dbraw/zinc/21/17/25/1060211725.db2.gz QQNOFYHIBHNDKB-UGKGYDQZSA-N 1 1 481.622 2.994 20 30 JFEDMO C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388528 1060211961 /nfs/dbraw/zinc/21/19/61/1060211961.db2.gz QQNOFYHIBHNDKB-SIKLNZKXSA-N 1 1 481.622 2.994 20 30 JFEDMO C#CCN(c1nnc(-c2ccc(C)o2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286388561 1060212549 /nfs/dbraw/zinc/21/25/49/1060212549.db2.gz RIOYBNKETRVRID-ZVDOUQERSA-N 1 1 473.643 2.841 20 30 JFEDMO C#CCN(c1nnc(-c2ccc(Cl)cc2F)n1CC[NH+]1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286389223 1060219114 /nfs/dbraw/zinc/21/91/14/1060219114.db2.gz ZKQOYZFPMZHHDT-SFHVURJKSA-N 1 1 480.009 2.850 20 30 JFEDMO C#CCN(c1nnc(Cc2csc(C)n2)n1CCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001286393656 1060245678 /nfs/dbraw/zinc/24/56/78/1060245678.db2.gz RGFSVZZSUPEIOE-WIYYLYMNSA-N 1 1 490.699 2.525 20 30 JFEDMO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286394254 1060249773 /nfs/dbraw/zinc/24/97/73/1060249773.db2.gz HYCULINDOBEWTG-PKTZIBPZSA-N 1 1 499.681 2.913 20 30 JFEDMO C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286395033 1060253217 /nfs/dbraw/zinc/25/32/17/1060253217.db2.gz QOSVLXKGTGMLRP-VABKMULXSA-N 1 1 485.654 2.758 20 30 JFEDMO C#CCN(c1nnc(COc2cc(C)cc(C)c2)n1CC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395221 1060255373 /nfs/dbraw/zinc/25/53/73/1060255373.db2.gz LUYICDMPWNPLJP-HSZRJFAPSA-N 1 1 499.681 2.833 20 30 JFEDMO C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286397197 1060268248 /nfs/dbraw/zinc/26/82/48/1060268248.db2.gz YCPYMHFLYUBAJH-RTWAWAEBSA-N 1 1 463.692 2.861 20 30 JFEDMO C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001286397746 1060270119 /nfs/dbraw/zinc/27/01/19/1060270119.db2.gz PPVCGVHHPNVMIC-NRFANRHFSA-N 1 1 452.990 2.809 20 30 JFEDMO C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+](C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286398708 1060276046 /nfs/dbraw/zinc/27/60/46/1060276046.db2.gz MZZBDVWIAJUCMH-BHDDXSALSA-N 1 1 491.702 2.698 20 30 JFEDMO C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286399592 1060279488 /nfs/dbraw/zinc/27/94/88/1060279488.db2.gz JWBRBXMDZWAHGQ-DEOSSOPVSA-N 1 1 472.637 2.764 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001286401466 1060283690 /nfs/dbraw/zinc/28/36/90/1060283690.db2.gz NYMDVQDLRXKILQ-HXUWFJFHSA-N 1 1 467.620 2.786 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001286401980 1060284359 /nfs/dbraw/zinc/28/43/59/1060284359.db2.gz ULWNBIHCGBCRQM-QFIPXVFZSA-N 1 1 482.654 2.533 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001286408719 1060292937 /nfs/dbraw/zinc/29/29/37/1060292937.db2.gz KLZZWOQWYJROLJ-OYRHEFFESA-N 1 1 471.609 2.633 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCC[N@@H+]1CCCC ZINC001286409657 1060295137 /nfs/dbraw/zinc/29/51/37/1060295137.db2.gz SLOPSKDIVUJOBK-NRFANRHFSA-N 1 1 481.670 2.966 20 30 JFEDMO C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001286414049 1060299723 /nfs/dbraw/zinc/29/97/23/1060299723.db2.gz QZVJQQALNGUPLI-SFTDATJTSA-N 1 1 454.619 2.950 20 30 JFEDMO C#CCN(CC#C)c1nnc(COc2ccc(Br)cc2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286415129 1060302215 /nfs/dbraw/zinc/30/22/15/1060302215.db2.gz DOKHDRJJLQAQBI-UHFFFAOYSA-N 1 1 486.414 2.803 20 30 JFEDMO C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001286416701 1060304411 /nfs/dbraw/zinc/30/44/11/1060304411.db2.gz VSWHQJSZJKDTQU-FQEVSTJZSA-N 1 1 472.618 2.789 20 30 JFEDMO C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCCN1CC[NH+](CC)CC1 ZINC001286419096 1060306901 /nfs/dbraw/zinc/30/69/01/1060306901.db2.gz XBAZCLKVDGFAQT-UHFFFAOYSA-N 1 1 486.462 2.537 20 30 JFEDMO C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001286419360 1060307638 /nfs/dbraw/zinc/30/76/38/1060307638.db2.gz UHBYAGWWPHNPRT-NRFANRHFSA-N 1 1 455.566 2.909 20 30 JFEDMO C#CCN(CC#CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001286421425 1060309115 /nfs/dbraw/zinc/30/91/15/1060309115.db2.gz DDVRTNDMFNXZIX-HXUWFJFHSA-N 1 1 481.670 2.741 20 30 JFEDMO C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC[N@H+](CCC)C1 ZINC001286422297 1060309894 /nfs/dbraw/zinc/30/98/94/1060309894.db2.gz XWNJZZOISCXKBP-FQEVSTJZSA-N 1 1 453.612 2.543 20 30 JFEDMO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001286424637 1060312617 /nfs/dbraw/zinc/31/26/17/1060312617.db2.gz FFMZTARPQMHSQY-QFIPXVFZSA-N 1 1 465.598 2.782 20 30 JFEDMO C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001286425025 1060313329 /nfs/dbraw/zinc/31/33/29/1060313329.db2.gz UTLXNSKQCAIQJF-OYRHEFFESA-N 1 1 465.598 2.925 20 30 JFEDMO C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001286430695 1060320720 /nfs/dbraw/zinc/32/07/20/1060320720.db2.gz PWUOMUMLOOYQJH-NHTMILBNSA-N 1 1 458.610 2.993 20 30 JFEDMO C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCN(CC)CC1 ZINC001286444827 1060332977 /nfs/dbraw/zinc/33/29/77/1060332977.db2.gz BXTGAGQDZJTVNF-JOCHJYFZSA-N 1 1 487.693 2.880 20 30 JFEDMO C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCCn1cc[nH+]c1C ZINC001286459500 1060343109 /nfs/dbraw/zinc/34/31/09/1060343109.db2.gz NNHPJUKKYAKCGD-UHFFFAOYSA-N 1 1 460.380 2.727 20 30 JFEDMO C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001286466185 1060353501 /nfs/dbraw/zinc/35/35/01/1060353501.db2.gz XGEQOFIQCKHDJM-RPWUZVMVSA-N 1 1 467.614 2.897 20 30 JFEDMO C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001286466670 1060354556 /nfs/dbraw/zinc/35/45/56/1060354556.db2.gz IGDNMGCQCYAMTL-YADHBBJMSA-N 1 1 480.661 2.659 20 30 JFEDMO C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286473758 1060377502 /nfs/dbraw/zinc/37/75/02/1060377502.db2.gz WMXLJYKJWSLZTK-UHFFFAOYSA-N 1 1 487.446 2.574 20 30 JFEDMO C#CCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001286485047 1060422143 /nfs/dbraw/zinc/42/21/43/1060422143.db2.gz BIWLJUGQRQJMIH-UHFFFAOYSA-N 1 1 475.062 2.701 20 30 JFEDMO C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)CCCC)CC1 ZINC001286485735 1060429487 /nfs/dbraw/zinc/42/94/87/1060429487.db2.gz WQFCULSUVDPMQN-OYRHEFFESA-N 1 1 473.666 2.536 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2cc[nH+]c2C)CC1 ZINC001286488421 1060451284 /nfs/dbraw/zinc/45/12/84/1060451284.db2.gz YMIYVTDYTPRDJT-UHFFFAOYSA-N 1 1 491.596 2.523 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001286489461 1060464829 /nfs/dbraw/zinc/46/48/29/1060464829.db2.gz UCDYOMLTZCFBBF-OAQYLSRUSA-N 1 1 499.059 2.921 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286493100 1060501147 /nfs/dbraw/zinc/50/11/47/1060501147.db2.gz DRLCYSRCAKTTSZ-ZRZAMGCNSA-N 1 1 492.668 2.528 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001286493571 1060503071 /nfs/dbraw/zinc/50/30/71/1060503071.db2.gz WKDLLQSMARXQQN-NRFANRHFSA-N 1 1 473.021 2.737 20 30 JFEDMO 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C=C(Br)Cn1c(COCC)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001286547720 1060598068 /nfs/dbraw/zinc/59/80/68/1060598068.db2.gz QBZMCUJOSQTFSZ-SFHVURJKSA-N 1 1 450.381 2.579 20 30 JFEDMO C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001286584599 1060675721 /nfs/dbraw/zinc/67/57/21/1060675721.db2.gz IGYJWKMFFLWQKQ-QHCPKHFHSA-N 1 1 458.994 2.739 20 30 JFEDMO C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286591332 1060687503 /nfs/dbraw/zinc/68/75/03/1060687503.db2.gz PYMZBJUYEJPGRB-QFIPXVFZSA-N 1 1 484.645 2.770 20 30 JFEDMO C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286598751 1060699778 /nfs/dbraw/zinc/69/97/78/1060699778.db2.gz BGNYPBWWZSNIGO-ZHHKINOHSA-N 1 1 458.651 2.762 20 30 JFEDMO C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001286603707 1060706482 /nfs/dbraw/zinc/70/64/82/1060706482.db2.gz IQWZLYLVRWKNEW-SFHVURJKSA-N 1 1 492.418 2.830 20 30 JFEDMO C=C(C)COCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001286603707 1060706495 /nfs/dbraw/zinc/70/64/95/1060706495.db2.gz IQWZLYLVRWKNEW-SFHVURJKSA-N 1 1 492.418 2.830 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286604260 1060708996 /nfs/dbraw/zinc/70/89/96/1060708996.db2.gz QNPGCIWBNCZLBI-OFVILXPXSA-N 1 1 491.640 2.788 20 30 JFEDMO C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001286604635 1060710056 /nfs/dbraw/zinc/71/00/56/1060710056.db2.gz NOIMVYSRSQVBSB-CVDCTZTESA-N 1 1 471.602 2.712 20 30 JFEDMO C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286611584 1060722606 /nfs/dbraw/zinc/72/26/06/1060722606.db2.gz MLXHEUSAFXEDPG-UHFFFAOYSA-N 1 1 477.613 2.577 20 30 JFEDMO C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC001286615654 1060730615 /nfs/dbraw/zinc/73/06/15/1060730615.db2.gz SNZIEBJBECOZSG-QUCCMNQESA-N 1 1 472.659 2.912 20 30 JFEDMO 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C=CC1CCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001286662882 1060774377 /nfs/dbraw/zinc/77/43/77/1060774377.db2.gz ZQUPYUVGUHWBTD-QFIPXVFZSA-N 1 1 451.619 2.609 20 30 JFEDMO C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001286665838 1060778145 /nfs/dbraw/zinc/77/81/45/1060778145.db2.gz DEUYNOZJTXEADA-RTBURBONSA-N 1 1 453.591 2.685 20 30 JFEDMO C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286673043 1060787741 /nfs/dbraw/zinc/78/77/41/1060787741.db2.gz SZGYZGHELPLLHJ-KSEOMHKRSA-N 1 1 458.651 2.763 20 30 JFEDMO C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001286692177 1060803727 /nfs/dbraw/zinc/80/37/27/1060803727.db2.gz COYNUCXJTAFULL-HSALFYBXSA-N 1 1 452.669 2.945 20 30 JFEDMO C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286692511 1060804473 /nfs/dbraw/zinc/80/44/73/1060804473.db2.gz IFNXHBRIFSUHEZ-OXQOHEQNSA-N 1 1 490.450 2.991 20 30 JFEDMO C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001286692801 1060805203 /nfs/dbraw/zinc/80/52/03/1060805203.db2.gz ORKCWYQDPHSPEE-UHFFFAOYSA-N 1 1 497.669 2.987 20 30 JFEDMO C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286703532 1060816091 /nfs/dbraw/zinc/81/60/91/1060816091.db2.gz CMIFNPMUAZLPFB-NRFANRHFSA-N 1 1 456.566 2.705 20 30 JFEDMO C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286708653 1060824775 /nfs/dbraw/zinc/82/47/75/1060824775.db2.gz RMRCFKVHOBQSSN-SQJMNOBHSA-N 1 1 491.640 2.788 20 30 JFEDMO C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286710864 1060830651 /nfs/dbraw/zinc/83/06/51/1060830651.db2.gz FAZXETMXORMFLK-BGYRXZFFSA-N 1 1 455.607 2.653 20 30 JFEDMO C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001286726648 1060847535 /nfs/dbraw/zinc/84/75/35/1060847535.db2.gz HBBPJUBDZKVYTM-MSOLQXFVSA-N 1 1 457.579 2.983 20 30 JFEDMO 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C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001286803152 1060989625 /nfs/dbraw/zinc/98/96/25/1060989625.db2.gz DEMFLPHBQOMALS-OAQYLSRUSA-N 1 1 484.645 2.770 20 30 JFEDMO C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)C1 ZINC001286803829 1060990772 /nfs/dbraw/zinc/99/07/72/1060990772.db2.gz KDXUKNFTAISOSH-OFNKIYASSA-N 1 1 454.619 2.761 20 30 JFEDMO C=CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001286827541 1061075505 /nfs/dbraw/zinc/07/55/05/1061075505.db2.gz SJQIZGYYSMCJFS-UHFFFAOYSA-N 1 1 453.620 2.761 20 30 JFEDMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001286889258 1061346752 /nfs/dbraw/zinc/34/67/52/1061346752.db2.gz HMXYZTAUXKOQBF-JOCHJYFZSA-N 1 1 467.643 2.559 20 30 JFEDMO CCCC[N@@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 ZINC001294225933 1061737980 /nfs/dbraw/zinc/73/79/80/1061737980.db2.gz JPAZBWCCFDGHQV-HXUWFJFHSA-N 1 1 475.638 2.853 20 30 JFEDMO 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JFEDMO C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286393085 1060241843 /nfs/dbraw/zinc/24/18/43/1060241843.db2.gz JKVMZACLGDPMKZ-LJQANCHMSA-N 1 1 491.608 2.506 20 30 JFEDMO C#CCN(c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001286394252 1060249618 /nfs/dbraw/zinc/24/96/18/1060249618.db2.gz HYCULINDOBEWTG-GOTSBHOMSA-N 1 1 499.681 2.913 20 30 JFEDMO C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCC[N@@H+]1CCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286395002 1060252520 /nfs/dbraw/zinc/25/25/20/1060252520.db2.gz YNVAUJVGVGAFGH-PKTZIBPZSA-N 1 1 484.670 2.545 20 30 JFEDMO C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H]1CCCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286395233 1060256194 /nfs/dbraw/zinc/25/61/94/1060256194.db2.gz RSIZBYUNBRQHKZ-DHIUTWEWSA-N 1 1 469.655 2.678 20 30 JFEDMO C#CCN(c1nnc(COc2ccc(C)c(C)c2)n1CC[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286395800 1060259141 /nfs/dbraw/zinc/25/91/41/1060259141.db2.gz OIAGQBNJXAIVHJ-JOCHJYFZSA-N 1 1 485.654 2.587 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001286401365 1060283125 /nfs/dbraw/zinc/28/31/25/1060283125.db2.gz LHWACVYYNCXVDN-IBGZPJMESA-N 1 1 469.431 2.806 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@H]1CCC[N@H+]1CCCO ZINC001286401360 1060283198 /nfs/dbraw/zinc/28/31/98/1060283198.db2.gz LDZPLUZLEIEYBD-GOSISDBHSA-N 1 1 486.414 2.636 20 30 JFEDMO C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286401741 1060283717 /nfs/dbraw/zinc/28/37/17/1060283717.db2.gz RAGMGANPCXMZMW-OAQYLSRUSA-N 1 1 497.441 2.723 20 30 JFEDMO C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001286413945 1060299789 /nfs/dbraw/zinc/29/97/89/1060299789.db2.gz PZTGRFMHKDVUPI-JOCHJYFZSA-N 1 1 460.630 2.645 20 30 JFEDMO C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001286424636 1060312464 /nfs/dbraw/zinc/31/24/64/1060312464.db2.gz FFMZTARPQMHSQY-JOCHJYFZSA-N 1 1 465.598 2.782 20 30 JFEDMO 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C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286484034 1060413136 /nfs/dbraw/zinc/41/31/36/1060413136.db2.gz CVYVDUWVWJLSEO-QFIPXVFZSA-N 1 1 461.614 2.748 20 30 JFEDMO C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286484031 1060413189 /nfs/dbraw/zinc/41/31/89/1060413189.db2.gz CVYVDUWVWJLSEO-JOCHJYFZSA-N 1 1 461.614 2.748 20 30 JFEDMO C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001286484181 1060414185 /nfs/dbraw/zinc/41/41/85/1060414185.db2.gz JSKJEMWFBOVNSK-QFIPXVFZSA-N 1 1 454.594 2.872 20 30 JFEDMO C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001286485141 1060423222 /nfs/dbraw/zinc/42/32/22/1060423222.db2.gz WBORMBIWWXFPPH-JOCHJYFZSA-N 1 1 452.651 2.550 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001286490233 1060473188 /nfs/dbraw/zinc/47/31/88/1060473188.db2.gz OELSOOIEDJKZSU-HXUWFJFHSA-N 1 1 459.598 2.760 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001286493711 1060503606 /nfs/dbraw/zinc/50/36/06/1060503606.db2.gz PGASRDOGQKSIOH-QHCPKHFHSA-N 1 1 464.614 2.618 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286494835 1060509078 /nfs/dbraw/zinc/50/90/78/1060509078.db2.gz TXZOHMRWJXRPQV-JOCHJYFZSA-N 1 1 478.641 2.597 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001286495094 1060509540 /nfs/dbraw/zinc/50/95/40/1060509540.db2.gz WUTHLQOEZAOSJF-OAQYLSRUSA-N 1 1 497.713 2.968 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001286495168 1060510710 /nfs/dbraw/zinc/51/07/10/1060510710.db2.gz XWVJVEIGUFPULX-FYYLOGMGSA-N 1 1 470.662 2.854 20 30 JFEDMO C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286503340 1060527582 /nfs/dbraw/zinc/52/75/82/1060527582.db2.gz DKSJGSFBOCDJDG-HXUWFJFHSA-N 1 1 473.046 2.708 20 30 JFEDMO C#CCSCCn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286504789 1060530219 /nfs/dbraw/zinc/53/02/19/1060530219.db2.gz UGHCDMBXWNAEOI-NFBKMPQASA-N 1 1 496.681 2.699 20 30 JFEDMO C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001286505129 1060532040 /nfs/dbraw/zinc/53/20/40/1060532040.db2.gz VOKJTESNCHDDOR-LEWJYISDSA-N 1 1 452.628 2.696 20 30 JFEDMO C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001286508863 1060539769 /nfs/dbraw/zinc/53/97/69/1060539769.db2.gz RAALUFDERJEKNO-HXUWFJFHSA-N 1 1 482.654 2.659 20 30 JFEDMO C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001286510024 1060542385 /nfs/dbraw/zinc/54/23/85/1060542385.db2.gz HIOJBHVRLWJRNF-NQIIRXRSSA-N 1 1 459.591 2.520 20 30 JFEDMO C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Br)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001286516066 1060551474 /nfs/dbraw/zinc/55/14/74/1060551474.db2.gz VLDRGPZYYKLZSF-HSZRJFAPSA-N 1 1 485.430 2.864 20 30 JFEDMO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001286519817 1060555389 /nfs/dbraw/zinc/55/53/89/1060555389.db2.gz LZFLFAIZPLJOKR-HFZDXXHNSA-N 1 1 464.614 2.889 20 30 JFEDMO C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001286537843 1060579317 /nfs/dbraw/zinc/57/93/17/1060579317.db2.gz JBQUOFMQYXGZEX-GOSISDBHSA-N 1 1 459.392 2.850 20 30 JFEDMO C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001286537845 1060579764 /nfs/dbraw/zinc/57/97/64/1060579764.db2.gz JBQUOFMQYXGZEX-SFHVURJKSA-N 1 1 459.392 2.850 20 30 JFEDMO C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001286543366 1060589342 /nfs/dbraw/zinc/58/93/42/1060589342.db2.gz SLFNAEASNVUCFR-MRXNPFEDSA-N 1 1 468.783 2.940 20 30 JFEDMO C=C(Br)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001286543366 1060589360 /nfs/dbraw/zinc/58/93/60/1060589360.db2.gz SLFNAEASNVUCFR-MRXNPFEDSA-N 1 1 468.783 2.940 20 30 JFEDMO C=C(Br)Cn1c(CCOc2ccccc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001286544417 1060590942 /nfs/dbraw/zinc/59/09/42/1060590942.db2.gz VSDYGOWEPIGNOA-SFHVURJKSA-N 1 1 464.408 2.965 20 30 JFEDMO C=C(Br)Cn1c(COCC)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001286547853 1060598584 /nfs/dbraw/zinc/59/85/84/1060598584.db2.gz QXTZSNYPVUYHTM-UHFFFAOYSA-N 1 1 455.445 2.718 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001286548001 1060600127 /nfs/dbraw/zinc/60/01/27/1060600127.db2.gz QYRZOYJZMRGCKU-RLBLXZPPSA-N 1 1 498.676 2.650 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001286553074 1060617159 /nfs/dbraw/zinc/61/71/59/1060617159.db2.gz CNRZAXDWFJEREX-FSSWDIPSSA-N 1 1 461.651 2.948 20 30 JFEDMO C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CCOC)CC1 ZINC001286555796 1060623524 /nfs/dbraw/zinc/62/35/24/1060623524.db2.gz ZFIALMKATUYPPS-VQIMIIECSA-N 1 1 479.423 2.785 20 30 JFEDMO C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001286566831 1060655680 /nfs/dbraw/zinc/65/56/80/1060655680.db2.gz JTQNETHHYKZDFT-MOPGFXCFSA-N 1 1 460.648 2.738 20 30 JFEDMO C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001286588308 1060682563 /nfs/dbraw/zinc/68/25/63/1060682563.db2.gz QJDKAWLEULRTGE-HKUYNNGSSA-N 1 1 457.575 2.704 20 30 JFEDMO C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001286588312 1060682598 /nfs/dbraw/zinc/68/25/98/1060682598.db2.gz QJDKAWLEULRTGE-MJGOQNOKSA-N 1 1 457.575 2.704 20 30 JFEDMO C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001286593576 1060693822 /nfs/dbraw/zinc/69/38/22/1060693822.db2.gz PVKCKMCBBNXWMI-UHFFFAOYSA-N 1 1 468.650 2.823 20 30 JFEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001286594333 1060695087 /nfs/dbraw/zinc/69/50/87/1060695087.db2.gz LYIBFDUFYLOYAW-UHFFFAOYSA-N 1 1 451.619 2.611 20 30 JFEDMO C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286598748 1060699739 /nfs/dbraw/zinc/69/97/39/1060699739.db2.gz BGNYPBWWZSNIGO-BDKRGJGYSA-N 1 1 458.651 2.762 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001286604151 1060707656 /nfs/dbraw/zinc/70/76/56/1060707656.db2.gz GMOWKRSACLPOCQ-VQTJNVASSA-N 1 1 490.674 2.707 20 30 JFEDMO C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001286605139 1060711664 /nfs/dbraw/zinc/71/16/64/1060711664.db2.gz HLBJSBCTEDGXEC-OAQYLSRUSA-N 1 1 454.619 2.763 20 30 JFEDMO C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001286606992 1060716213 /nfs/dbraw/zinc/71/62/13/1060716213.db2.gz ILDDQKJRQJJOFP-UHFFFAOYSA-N 1 1 458.570 2.912 20 30 JFEDMO C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001286607508 1060717364 /nfs/dbraw/zinc/71/73/64/1060717364.db2.gz QNKNZCOGJDLPJJ-RTBURBONSA-N 1 1 475.663 2.750 20 30 JFEDMO C=C(C)COCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286609578 1060720188 /nfs/dbraw/zinc/72/01/88/1060720188.db2.gz MUXMZTFMTRAFSF-JOCHJYFZSA-N 1 1 487.048 2.858 20 30 JFEDMO C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286623284 1060740583 /nfs/dbraw/zinc/74/05/83/1060740583.db2.gz FHOSDTLMACKRIE-KSFYIVLOSA-N 1 1 489.020 2.704 20 30 JFEDMO C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286626391 1060744794 /nfs/dbraw/zinc/74/47/94/1060744794.db2.gz UVTHHTSBWPVBCU-IERDGZPVSA-N 1 1 489.020 2.704 20 30 JFEDMO C=CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1 ZINC001286690482 1060802594 /nfs/dbraw/zinc/80/25/94/1060802594.db2.gz KAIPJPORVGBNHH-UHFFFAOYSA-N 1 1 456.660 2.568 20 30 JFEDMO C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001286708945 1060825641 /nfs/dbraw/zinc/82/56/41/1060825641.db2.gz JKCXICWNDJSNRU-UHFFFAOYSA-N 1 1 453.635 2.928 20 30 JFEDMO C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001286713162 1060837270 /nfs/dbraw/zinc/83/72/70/1060837270.db2.gz CFARCTJESOVDIR-LZLYRXPVSA-N 1 1 452.650 2.655 20 30 JFEDMO C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001286716256 1060841278 /nfs/dbraw/zinc/84/12/78/1060841278.db2.gz CEDUTPASJMNALN-SFHVURJKSA-N 1 1 475.663 2.670 20 30 JFEDMO C=CCN(Cc1ccccc1F)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001286745417 1060869399 /nfs/dbraw/zinc/86/93/99/1060869399.db2.gz VUDTYNLKDHQGGT-DQEYMECFSA-N 1 1 473.593 2.717 20 30 JFEDMO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001286746342 1060871785 /nfs/dbraw/zinc/87/17/85/1060871785.db2.gz VYWFPKIJTJPZMQ-GMAHTHKFSA-N 1 1 487.670 2.874 20 30 JFEDMO C=CCN(CC=C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001286757766 1060885425 /nfs/dbraw/zinc/88/54/25/1060885425.db2.gz VONBDNUACGXFFQ-DEOSSOPVSA-N 1 1 460.623 2.638 20 30 JFEDMO C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001286764610 1060890161 /nfs/dbraw/zinc/89/01/61/1060890161.db2.gz UQYTVZGJEIBBFD-UHFFFAOYSA-N 1 1 450.591 2.589 20 30 JFEDMO C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001286764610 1060890170 /nfs/dbraw/zinc/89/01/70/1060890170.db2.gz UQYTVZGJEIBBFD-UHFFFAOYSA-N 1 1 450.591 2.589 20 30 JFEDMO C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001286764610 1060890180 /nfs/dbraw/zinc/89/01/80/1060890180.db2.gz UQYTVZGJEIBBFD-UHFFFAOYSA-N 1 1 450.591 2.589 20 30 JFEDMO C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001286765252 1060891826 /nfs/dbraw/zinc/89/18/26/1060891826.db2.gz AWRQIDMSLBASJP-UXHICEINSA-N 1 1 461.632 2.740 20 30 JFEDMO C=CCN(CCOC)c1nnc(-c2ccc(C)c(Br)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001286765953 1060893520 /nfs/dbraw/zinc/89/35/20/1060893520.db2.gz LGHYMGYOYAUZHQ-OAQYLSRUSA-N 1 1 464.408 2.721 20 30 JFEDMO C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001286772376 1060906711 /nfs/dbraw/zinc/90/67/11/1060906711.db2.gz CEOWIKHPJZAYRD-NRFANRHFSA-N 1 1 457.575 2.540 20 30 JFEDMO C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001286772376 1060906727 /nfs/dbraw/zinc/90/67/27/1060906727.db2.gz CEOWIKHPJZAYRD-NRFANRHFSA-N 1 1 457.575 2.540 20 30 JFEDMO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001286777336 1060914059 /nfs/dbraw/zinc/91/40/59/1060914059.db2.gz VHOMIGJIBQPWGM-UHFFFAOYSA-N 1 1 452.603 2.794 20 30 JFEDMO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001286777336 1060914073 /nfs/dbraw/zinc/91/40/73/1060914073.db2.gz VHOMIGJIBQPWGM-UHFFFAOYSA-N 1 1 452.603 2.794 20 30 JFEDMO C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286788837 1060947181 /nfs/dbraw/zinc/94/71/81/1060947181.db2.gz HOOQATPBXQEDCF-BGYRXZFFSA-N 1 1 484.620 2.636 20 30 JFEDMO C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001286796876 1060975193 /nfs/dbraw/zinc/97/51/93/1060975193.db2.gz YAVKHCJNCACSNX-IBGZPJMESA-N 1 1 490.674 2.812 20 30 JFEDMO C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001286798347 1060978466 /nfs/dbraw/zinc/97/84/66/1060978466.db2.gz JSBIIURZTYDWGH-WOJBJXKFSA-N 1 1 453.591 2.971 20 30 JFEDMO C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001286803151 1060988646 /nfs/dbraw/zinc/98/86/46/1060988646.db2.gz DEMFLPHBQOMALS-NRFANRHFSA-N 1 1 484.645 2.770 20 30 JFEDMO C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001286803151 1060988666 /nfs/dbraw/zinc/98/86/66/1060988666.db2.gz DEMFLPHBQOMALS-NRFANRHFSA-N 1 1 484.645 2.770 20 30 JFEDMO C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001286803151 1060988686 /nfs/dbraw/zinc/98/86/86/1060988686.db2.gz DEMFLPHBQOMALS-NRFANRHFSA-N 1 1 484.645 2.770 20 30 JFEDMO C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001286802908 1060989004 /nfs/dbraw/zinc/98/90/04/1060989004.db2.gz XATZARCYDXDHCN-UYAOXDASSA-N 1 1 459.616 2.614 20 30 JFEDMO C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001286810629 1061002032 /nfs/dbraw/zinc/00/20/32/1061002032.db2.gz UDVDPOGEKSNBHZ-FPOVZHCZSA-N 1 1 465.664 2.616 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001286815154 1061014963 /nfs/dbraw/zinc/01/49/63/1061014963.db2.gz MZEACDUXCRZBNM-GOSISDBHSA-N 1 1 488.614 2.765 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001286818947 1061039189 /nfs/dbraw/zinc/03/91/89/1061039189.db2.gz UNIMITYFGDVVNL-FQEVSTJZSA-N 1 1 487.674 2.817 20 30 JFEDMO C=CCS(=O)(=O)CCn1c(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nnc1C(C)(C)C ZINC001286824395 1061067385 /nfs/dbraw/zinc/06/73/85/1061067385.db2.gz CCOPZEXSFPQWNQ-OYRHEFFESA-N 1 1 457.644 2.745 20 30 JFEDMO C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286827144 1061074430 /nfs/dbraw/zinc/07/44/30/1061074430.db2.gz FFHOUFSXNYTOLC-NRFANRHFSA-N 1 1 470.643 2.616 20 30 JFEDMO C=CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286831027 1061078958 /nfs/dbraw/zinc/07/89/58/1061078958.db2.gz ZPTJJHHRILQSEL-NRFANRHFSA-N 1 1 454.644 2.916 20 30 JFEDMO C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286833070 1061083286 /nfs/dbraw/zinc/08/32/86/1061083286.db2.gz UQCNIOLBVYRERR-FCHUYYIVSA-N 1 1 478.707 2.670 20 30 JFEDMO C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001286833842 1061085104 /nfs/dbraw/zinc/08/51/04/1061085104.db2.gz QQSOCFAOCNYNGO-UHFFFAOYSA-N 1 1 472.688 2.999 20 30 JFEDMO C=CCSCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286834210 1061085657 /nfs/dbraw/zinc/08/56/57/1061085657.db2.gz CSIHKIZXUNPNPZ-QFIPXVFZSA-N 1 1 484.670 2.828 20 30 JFEDMO Cc1ccc(NC(=O)c2nnc(N3CCc4[nH]c(=O)c(C#N)cc4C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289736243 1061348892 /nfs/dbraw/zinc/34/88/92/1061348892.db2.gz XPUVLZLTJMVNLX-QGZVFWFLSA-N 1 1 474.569 2.632 20 30 JFEDMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001286891225 1061358589 /nfs/dbraw/zinc/35/85/89/1061358589.db2.gz WEWYUBKSVMCMMA-GOSISDBHSA-N 1 1 478.626 2.677 20 30 JFEDMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001286903595 1061403954 /nfs/dbraw/zinc/40/39/54/1061403954.db2.gz KTJGGOIYCYDLQU-UHFFFAOYSA-N 1 1 492.672 2.726 20 30 JFEDMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286903595 1061403961 /nfs/dbraw/zinc/40/39/61/1061403961.db2.gz KTJGGOIYCYDLQU-UHFFFAOYSA-N 1 1 492.672 2.726 20 30 JFEDMO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286903595 1061403964 /nfs/dbraw/zinc/40/39/64/1061403964.db2.gz KTJGGOIYCYDLQU-UHFFFAOYSA-N 1 1 492.672 2.726 20 30 JFEDMO CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 ZINC001294208864 1061711726 /nfs/dbraw/zinc/71/17/26/1061711726.db2.gz KFAWRPKHSUGVLZ-LJQANCHMSA-N 1 1 474.631 2.641 20 30 JFEDMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001294224174 1061734444 /nfs/dbraw/zinc/73/44/44/1061734444.db2.gz POYPXWXAZGYVDV-NRFANRHFSA-N 1 1 452.607 2.845 20 30 JFEDMO CCCC[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001294228101 1061742950 /nfs/dbraw/zinc/74/29/50/1061742950.db2.gz AOVVQCUBRNHOBG-CPJSRVTESA-N 1 1 468.602 2.845 20 30 JFEDMO Cc1ccc(-n2nc(CCCNC(=O)[C@@]3([NH+](C)C)COc4ccccc4C3)c(C#N)c2N)cc1 ZINC001294274906 1061768574 /nfs/dbraw/zinc/76/85/74/1061768574.db2.gz ZJEQFHGLJXMEQB-SANMLTNESA-N 1 1 458.566 2.619 20 30 JFEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 ZINC001294308541 1061796606 /nfs/dbraw/zinc/79/66/06/1061796606.db2.gz LVRXYKJFHKZQHZ-UYAOXDASSA-N 1 1 465.668 2.673 20 30 JFEDMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001286984025 1061840242 /nfs/dbraw/zinc/84/02/42/1061840242.db2.gz ZPLOXQMBNWVYFL-AOIWGVFYSA-N 1 1 467.599 2.534 20 30 JFEDMO CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCOCC2)CC1 ZINC001294353365 1061920313 /nfs/dbraw/zinc/92/03/13/1061920313.db2.gz GZSCKJHNDYJZLJ-UHFFFAOYSA-N 1 1 479.629 2.672 20 30 JFEDMO CC(C)(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1COCCO1 ZINC001287030580 1061981577 /nfs/dbraw/zinc/98/15/77/1061981577.db2.gz OCNUINJNHXKRQY-QFIPXVFZSA-N 1 1 452.603 2.866 20 30 JFEDMO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C1 ZINC001294461491 1062010803 /nfs/dbraw/zinc/01/08/03/1062010803.db2.gz ZZCHQYYNFXIEBD-GGAORHGYSA-N 1 1 465.646 2.953 20 30 JFEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)CN2CCOCC2)C1 ZINC001294461491 1062010825 /nfs/dbraw/zinc/01/08/25/1062010825.db2.gz ZZCHQYYNFXIEBD-GGAORHGYSA-N 1 1 465.646 2.953 20 30 JFEDMO CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001287047404 1062032987 /nfs/dbraw/zinc/03/29/87/1062032987.db2.gz HGFPTKCKEGXYGJ-UHFFFAOYSA-N 1 1 494.644 2.558 20 30 JFEDMO CCC[N@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001294526683 1062063011 /nfs/dbraw/zinc/06/30/11/1062063011.db2.gz JHRBNMNGEUEVPU-UHFFFAOYSA-N 1 1 466.615 2.901 20 30 JFEDMO CCC[N@@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001294526683 1062063032 /nfs/dbraw/zinc/06/30/32/1062063032.db2.gz JHRBNMNGEUEVPU-UHFFFAOYSA-N 1 1 466.615 2.901 20 30 JFEDMO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001287058409 1062084694 /nfs/dbraw/zinc/08/46/94/1062084694.db2.gz GOGMKWNYHAAZDU-FGZHOGPDSA-N 1 1 495.628 2.767 20 30 JFEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001294648561 1062187131 /nfs/dbraw/zinc/18/71/31/1062187131.db2.gz JZNNDTZMWBHQKX-LJQANCHMSA-N 1 1 456.616 2.820 20 30 JFEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294700429 1062265815 /nfs/dbraw/zinc/26/58/15/1062265815.db2.gz SOVRLLWHJWEEJK-NHCUHLMSSA-N 1 1 456.616 2.705 20 30 JFEDMO Cc1[nH+]ccn1CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 ZINC001290517760 1062318563 /nfs/dbraw/zinc/31/85/63/1062318563.db2.gz JOVFDHLFQCGQED-UHFFFAOYSA-N 1 1 452.588 2.995 20 30 JFEDMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001290517950 1062319213 /nfs/dbraw/zinc/31/92/13/1062319213.db2.gz PUPMXGFRZRUCGJ-UHFFFAOYSA-N 1 1 464.574 2.675 20 30 JFEDMO Cc1nn(C)c(N2CCN(c3nnc(Cc4ccccc4F)n3CCC[N@H+](C)C(C)C)CC2)c1C#N ZINC001290576275 1062379266 /nfs/dbraw/zinc/37/92/66/1062379266.db2.gz CIFNIHAJRRAFIQ-UHFFFAOYSA-N 1 1 493.635 2.979 20 30 JFEDMO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2CCOCC(F)F)n1 ZINC001290649113 1062546848 /nfs/dbraw/zinc/54/68/48/1062546848.db2.gz YITRHXDDSXKGMI-UHFFFAOYSA-N 1 1 484.555 2.615 20 30 JFEDMO 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C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001286438219 1060329624 /nfs/dbraw/zinc/32/96/24/1060329624.db2.gz DJWDLMUINGVTAI-NRFANRHFSA-N 1 1 481.670 2.822 20 30 JFEDMO C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001286438553 1060329945 /nfs/dbraw/zinc/32/99/45/1060329945.db2.gz FJFQODOXFXCPNU-HSZRJFAPSA-N 1 1 470.625 2.620 20 30 JFEDMO C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001286444976 1060332814 /nfs/dbraw/zinc/33/28/14/1060332814.db2.gz DLXYXQHKSOVNSH-FQEVSTJZSA-N 1 1 474.650 2.963 20 30 JFEDMO C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001286450396 1060335195 /nfs/dbraw/zinc/33/51/95/1060335195.db2.gz RCUWGQZAVWBNJL-UHFFFAOYSA-N 1 1 495.741 2.930 20 30 JFEDMO C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001286452638 1060336750 /nfs/dbraw/zinc/33/67/50/1060336750.db2.gz QFWSHQYXKAMYSO-FQEVSTJZSA-N 1 1 470.593 2.696 20 30 JFEDMO C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001286457697 1060339340 /nfs/dbraw/zinc/33/93/40/1060339340.db2.gz CMOWHJSOMVOILC-FYYLOGMGSA-N 1 1 482.604 2.504 20 30 JFEDMO C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCOCC1(C)C ZINC001286459684 1060343182 /nfs/dbraw/zinc/34/31/82/1060343182.db2.gz FRNITJBYYGEFOV-UHFFFAOYSA-N 1 1 482.448 2.966 20 30 JFEDMO C#CCN(CCOC)c1nnc(-c2ccc(Br)s2)n1CC[N@H+]1CCOCC1(C)C ZINC001286459684 1060343202 /nfs/dbraw/zinc/34/32/02/1060343202.db2.gz FRNITJBYYGEFOV-UHFFFAOYSA-N 1 1 482.448 2.966 20 30 JFEDMO C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001286463300 1060350933 /nfs/dbraw/zinc/35/09/33/1060350933.db2.gz MAKDHBKXTLMTHJ-UHFFFAOYSA-N 1 1 481.000 2.960 20 30 JFEDMO C#CCN(CCOC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cc[nH+]c1C ZINC001286466913 1060354641 /nfs/dbraw/zinc/35/46/41/1060354641.db2.gz LOHRMVZJJXWHHI-UHFFFAOYSA-N 1 1 471.606 2.684 20 30 JFEDMO C#CCN1CCN(c2nnc(-c3ccc(OCCC)c(OC)c3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001286474817 1060387146 /nfs/dbraw/zinc/38/71/46/1060387146.db2.gz QIVZZGAFRRUROZ-QFIPXVFZSA-N 1 1 466.630 2.982 20 30 JFEDMO C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+](CC)CCC(F)(F)F)CC1 ZINC001286476092 1060391649 /nfs/dbraw/zinc/39/16/49/1060391649.db2.gz NTZLAHCYYDRFBE-UHFFFAOYSA-N 1 1 459.520 2.846 20 30 JFEDMO C#CCN1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001286480006 1060397562 /nfs/dbraw/zinc/39/75/62/1060397562.db2.gz JOLSALIDJFNBBS-LEWJYISDSA-N 1 1 485.677 2.631 20 30 JFEDMO C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286483453 1060409200 /nfs/dbraw/zinc/40/92/00/1060409200.db2.gz LFJQIGWYKIMXBF-RUZDIDTESA-N 1 1 464.658 2.565 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001286487951 1060446434 /nfs/dbraw/zinc/44/64/34/1060446434.db2.gz SQLMRGRMZINREV-UHFFFAOYSA-N 1 1 460.582 2.944 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001286493839 1060504219 /nfs/dbraw/zinc/50/42/19/1060504219.db2.gz QIDUNGOSFQTQJM-IRLDBZIGSA-N 1 1 470.662 2.648 20 30 JFEDMO C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001286498747 1060519638 /nfs/dbraw/zinc/51/96/38/1060519638.db2.gz LNPYDDWZZXPXNJ-QFIPXVFZSA-N 1 1 466.655 2.617 20 30 JFEDMO C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC001286506434 1060534721 /nfs/dbraw/zinc/53/47/21/1060534721.db2.gz IREOHDJKVCSXLT-NRFANRHFSA-N 1 1 485.654 2.878 20 30 JFEDMO C#CCSCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001286506921 1060535547 /nfs/dbraw/zinc/53/55/47/1060535547.db2.gz QMDQYCNYYGSPKG-FQEVSTJZSA-N 1 1 492.690 2.527 20 30 JFEDMO C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001286533142 1060569604 /nfs/dbraw/zinc/56/96/04/1060569604.db2.gz STKWSDYRHKBPAG-IBGZPJMESA-N 1 1 499.413 2.811 20 30 JFEDMO C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001286542325 1060587501 /nfs/dbraw/zinc/58/75/01/1060587501.db2.gz UUBGTALDTUATPL-SFHVURJKSA-N 1 1 492.418 2.900 20 30 JFEDMO C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC001286544589 1060591569 /nfs/dbraw/zinc/59/15/69/1060591569.db2.gz KGEKZPCDGLIDKM-LJQANCHMSA-N 1 1 488.434 2.972 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286546103 1060594276 /nfs/dbraw/zinc/59/42/76/1060594276.db2.gz GGXUBTCBTXRJLL-XJUOHMSHSA-N 1 1 488.677 2.726 20 30 JFEDMO C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001286561589 1060637807 /nfs/dbraw/zinc/63/78/07/1060637807.db2.gz BZNRDZSQZVWSSK-JTHBVZDNSA-N 1 1 471.650 2.668 20 30 JFEDMO C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001286561589 1060637819 /nfs/dbraw/zinc/63/78/19/1060637819.db2.gz BZNRDZSQZVWSSK-JTHBVZDNSA-N 1 1 471.650 2.668 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562923 1060643593 /nfs/dbraw/zinc/64/35/93/1060643593.db2.gz MVTAROCUPPAMOX-VJBWXMMDSA-N 1 1 474.694 2.788 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001286566422 1060654857 /nfs/dbraw/zinc/65/48/57/1060654857.db2.gz MTFPPKJMZFOIMT-HOKHCIIBSA-N 1 1 480.613 2.867 20 30 JFEDMO C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001286601826 1060704089 /nfs/dbraw/zinc/70/40/89/1060704089.db2.gz PDQBLUKALLGNRM-JOCHJYFZSA-N 1 1 482.629 2.898 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604256 1060708273 /nfs/dbraw/zinc/70/82/73/1060708273.db2.gz HKFSJVQOGAWAOF-SQJMNOBHSA-N 1 1 496.656 2.925 20 30 JFEDMO C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001286604637 1060710632 /nfs/dbraw/zinc/71/06/32/1060710632.db2.gz VRMQQUCJWCGRKY-VWLOTQADSA-N 1 1 471.602 2.856 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001286605538 1060712785 /nfs/dbraw/zinc/71/27/85/1060712785.db2.gz ZPRRXKRXBULWGG-UYAOXDASSA-N 1 1 459.616 2.614 20 30 JFEDMO C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001286613308 1060725981 /nfs/dbraw/zinc/72/59/81/1060725981.db2.gz XETHPTUGBQVRCE-FYYLOGMGSA-N 1 1 455.603 2.915 20 30 JFEDMO C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286613163 1060726180 /nfs/dbraw/zinc/72/61/80/1060726180.db2.gz SHLNJPOQMGXUCP-DHLKQENFSA-N 1 1 496.656 2.747 20 30 JFEDMO C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC001286615653 1060730524 /nfs/dbraw/zinc/73/05/24/1060730524.db2.gz SNZIEBJBECOZSG-ICSRJNTNSA-N 1 1 472.659 2.912 20 30 JFEDMO C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](CCOCC)[C@H](CC)C1)c1ccccc1 ZINC001286617826 1060732802 /nfs/dbraw/zinc/73/28/02/1060732802.db2.gz UBRRSMHHZJBCFN-FGZHOGPDSA-N 1 1 452.603 2.880 20 30 JFEDMO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001286620625 1060737474 /nfs/dbraw/zinc/73/74/74/1060737474.db2.gz PTMZQRYFEOJANH-HNNXBMFYSA-N 1 1 468.027 2.558 20 30 JFEDMO C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286623302 1060741024 /nfs/dbraw/zinc/74/10/24/1060741024.db2.gz FLCLKDYQDJXASP-ACJLOTCBSA-N 1 1 496.841 2.777 20 30 JFEDMO C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001286665835 1060778066 /nfs/dbraw/zinc/77/80/66/1060778066.db2.gz DEUYNOZJTXEADA-MOPGFXCFSA-N 1 1 453.591 2.685 20 30 JFEDMO C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286670329 1060782253 /nfs/dbraw/zinc/78/22/53/1060782253.db2.gz GPDZSNQZDMEFSS-UGKGYDQZSA-N 1 1 468.650 2.660 20 30 JFEDMO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286710765 1060829503 /nfs/dbraw/zinc/82/95/03/1060829503.db2.gz CWOBSBPKHNFKJV-GBXCKJPGSA-N 1 1 481.645 2.620 20 30 JFEDMO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001286722678 1060845905 /nfs/dbraw/zinc/84/59/05/1060845905.db2.gz PNGBUNVUZXEOPH-IBGZPJMESA-N 1 1 465.602 2.654 20 30 JFEDMO C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001286722679 1060845954 /nfs/dbraw/zinc/84/59/54/1060845954.db2.gz PNGBUNVUZXEOPH-LJQANCHMSA-N 1 1 465.602 2.654 20 30 JFEDMO C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001286744426 1060867888 /nfs/dbraw/zinc/86/78/88/1060867888.db2.gz HDTUTDNGWAXFKZ-LJQANCHMSA-N 1 1 458.632 2.737 20 30 JFEDMO C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001286747168 1060872988 /nfs/dbraw/zinc/87/29/88/1060872988.db2.gz ILTXRFLNRGNLEL-IAGOWNOFSA-N 1 1 475.644 2.917 20 30 JFEDMO C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001286766790 1060895865 /nfs/dbraw/zinc/89/58/65/1060895865.db2.gz WMQSCFPIOKZFAW-WOJBJXKFSA-N 1 1 461.632 2.883 20 30 JFEDMO C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001286767417 1060896863 /nfs/dbraw/zinc/89/68/63/1060896863.db2.gz RMJMDASEHAJXNE-DEOSSOPVSA-N 1 1 468.627 2.663 20 30 JFEDMO C=CCn1c(CSc2ccccc2OC)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001286777711 1060914524 /nfs/dbraw/zinc/91/45/24/1060914524.db2.gz ILQRTDSMEMAEKS-NRFANRHFSA-N 1 1 486.686 2.996 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001286779648 1060920577 /nfs/dbraw/zinc/92/05/77/1060920577.db2.gz KYYPXLVPNCJXNZ-KRWDZBQOSA-N 1 1 458.994 2.590 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC001286781991 1060927327 /nfs/dbraw/zinc/92/73/27/1060927327.db2.gz GXTCACKKHMBJMG-AZUAARDMSA-N 1 1 486.686 2.981 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001286782575 1060929425 /nfs/dbraw/zinc/92/94/25/1060929425.db2.gz YUTJOUIRAHNVGN-UHFFFAOYSA-N 1 1 467.555 2.539 20 30 JFEDMO C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286783105 1060932346 /nfs/dbraw/zinc/93/23/46/1060932346.db2.gz GTVJBECTABXSFK-UYAOXDASSA-N 1 1 468.602 2.718 20 30 JFEDMO C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001286789384 1060949094 /nfs/dbraw/zinc/94/90/94/1060949094.db2.gz RPAGPWRYZSPQKC-UHFFFAOYSA-N 1 1 450.612 2.863 20 30 JFEDMO C=CCNC(=O)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001286792290 1060960546 /nfs/dbraw/zinc/96/05/46/1060960546.db2.gz UAQRTEFLFRMFOE-MHZLTWQESA-N 1 1 496.656 2.758 20 30 JFEDMO C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001286793868 1060966988 /nfs/dbraw/zinc/96/69/88/1060966988.db2.gz OIHJAGISYRGACY-CZTZKLFOSA-N 1 1 458.651 2.810 20 30 JFEDMO C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001286798789 1060980210 /nfs/dbraw/zinc/98/02/10/1060980210.db2.gz OKIIJSDPFUEISV-OALUTQOASA-N 1 1 453.591 2.827 20 30 JFEDMO 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JFEDMO C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001286819995 1061044345 /nfs/dbraw/zinc/04/43/45/1061044345.db2.gz BGSIBDIEALMCAK-NRFANRHFSA-N 1 1 489.642 2.702 20 30 JFEDMO C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001286833727 1061084406 /nfs/dbraw/zinc/08/44/06/1061084406.db2.gz MXYLYJTUYFSVOB-NRFANRHFSA-N 1 1 472.634 2.670 20 30 JFEDMO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC001289655521 1061277951 /nfs/dbraw/zinc/27/79/51/1061277951.db2.gz JUMKZRQBEYSNIE-UHFFFAOYSA-N 1 1 472.597 2.752 20 30 JFEDMO CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001286882865 1061311872 /nfs/dbraw/zinc/31/18/72/1061311872.db2.gz KCDNNSXWKBWYCJ-FQEVSTJZSA-N 1 1 479.629 2.908 20 30 JFEDMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001286886267 1061328272 /nfs/dbraw/zinc/32/82/72/1061328272.db2.gz BQTUIPTXBYUNNP-CVDCTZTESA-N 1 1 479.629 2.621 20 30 JFEDMO 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CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001294751794 1062341023 /nfs/dbraw/zinc/34/10/23/1062341023.db2.gz YIRICIFYAFSASX-FQEVSTJZSA-N 1 1 456.616 2.705 20 30 JFEDMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294760338 1062350734 /nfs/dbraw/zinc/35/07/34/1062350734.db2.gz OPZRFYOGXIZVCY-UXHICEINSA-N 1 1 452.559 2.602 20 30 JFEDMO Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001290553106 1062355082 /nfs/dbraw/zinc/35/50/82/1062355082.db2.gz FRBIWMOMFQAFST-UHFFFAOYSA-N 1 1 462.602 2.762 20 30 JFEDMO Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001290553106 1062355103 /nfs/dbraw/zinc/35/51/03/1062355103.db2.gz FRBIWMOMFQAFST-UHFFFAOYSA-N 1 1 462.602 2.762 20 30 JFEDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)O)CC1 ZINC001290563834 1062366288 /nfs/dbraw/zinc/36/62/88/1062366288.db2.gz LFPJYSPCEXNYHD-UHFFFAOYSA-N 1 1 462.602 2.650 20 30 JFEDMO 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TVMQBVPKDZZQSZ-VWOFGYOZSA-N 1 1 493.612 2.649 20 30 JFEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296125262 1064218734 /nfs/dbraw/zinc/21/87/34/1064218734.db2.gz LNRMPQCHGWIDCU-UNMCSNQZSA-N 1 1 451.619 2.706 20 30 JFEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296125253 1064218754 /nfs/dbraw/zinc/21/87/54/1064218754.db2.gz LNRMPQCHGWIDCU-IFMALSPDSA-N 1 1 451.619 2.706 20 30 JFEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296127647 1064221978 /nfs/dbraw/zinc/22/19/78/1064221978.db2.gz WICJTGYHJCIBGG-WOJBJXKFSA-N 1 1 451.619 2.846 20 30 JFEDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC001291766248 1064247701 /nfs/dbraw/zinc/24/77/01/1064247701.db2.gz UCDOJWVVYVQXIU-NZQKXSOJSA-N 1 1 462.602 2.957 20 30 JFEDMO CC[C@H](C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C#N)CC1 ZINC001291774135 1064262571 /nfs/dbraw/zinc/26/25/71/1064262571.db2.gz 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459.953 2.967 20 30 JFEDMO N#Cc1ccc(N2C[C@@]3(COCCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)OCC2=O)cc1 ZINC001164692124 719782261 /nfs/dbraw/zinc/78/22/61/719782261.db2.gz RWYVVMHDJHHUKR-VWLOTQADSA-N 1 1 481.984 2.841 20 30 JFEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1F ZINC001164738954 720706264 /nfs/dbraw/zinc/70/62/64/720706264.db2.gz LPXUJVUPUYLEKX-CVEARBPZSA-N 1 1 451.893 2.940 20 30 JFEDMO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742106 720819304 /nfs/dbraw/zinc/81/93/04/720819304.db2.gz PWGLSMMMTAJYHT-BFYDXBDKSA-N 1 1 463.011 2.631 20 30 JFEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164772779 721165824 /nfs/dbraw/zinc/16/58/24/721165824.db2.gz WSZUSLIGHMSNGY-NHCUHLMSSA-N 1 1 451.647 2.789 20 30 JFEDMO CSc1nc(-c2ccccc2)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1C#N ZINC001164873375 721279040 /nfs/dbraw/zinc/27/90/40/721279040.db2.gz LRUQWDHQEQFRHZ-UHFFFAOYSA-N 1 1 480.638 2.744 20 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C=C(Br)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286535963 1060574390 /nfs/dbraw/zinc/57/43/90/1060574390.db2.gz MOFXSJXWUAYLJO-RKVPGOIHSA-N 1 1 453.429 2.689 20 30 JFEDMO C=C(Br)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC001286541946 1060586366 /nfs/dbraw/zinc/58/63/66/1060586366.db2.gz GKDDTWFYJJIXKX-INIZCTEOSA-N 1 1 497.463 2.725 20 30 JFEDMO C=C(Br)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001286545213 1060592174 /nfs/dbraw/zinc/59/21/74/1060592174.db2.gz VCPOXQIDWZRSRQ-PBHICJAKSA-N 1 1 452.422 2.996 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286547624 1060597418 /nfs/dbraw/zinc/59/74/18/1060597418.db2.gz PGXBGIAEBMTSFE-ADHNFCLRSA-N 1 1 458.651 2.762 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC001286561747 1060637763 /nfs/dbraw/zinc/63/77/63/1060637763.db2.gz OHOZGLRVGSQGFB-SJBKTWHCSA-N 1 1 455.607 2.653 20 30 JFEDMO C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286597481 1060697803 /nfs/dbraw/zinc/69/78/03/1060697803.db2.gz OLWUHYREMFJKDF-NQIIRXRSSA-N 1 1 456.566 2.561 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604250 1060708191 /nfs/dbraw/zinc/70/81/91/1060708191.db2.gz HKFSJVQOGAWAOF-BWKNWUBXSA-N 1 1 496.656 2.925 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286604255 1060708919 /nfs/dbraw/zinc/70/89/19/1060708919.db2.gz QNPGCIWBNCZLBI-BWKNWUBXSA-N 1 1 491.640 2.788 20 30 JFEDMO C=C(C)COCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](CCOC)CC1 ZINC001286612557 1060724078 /nfs/dbraw/zinc/72/40/78/1060724078.db2.gz VSSRNFDYDAIYEM-OAQYLSRUSA-N 1 1 492.665 2.754 20 30 JFEDMO C=C(Cn1c([C@H](C)OCCOC)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)c1ccccc1 ZINC001286615628 1060730036 /nfs/dbraw/zinc/73/00/36/1060730036.db2.gz RQSIRZQDXBOXMH-HWBMXIPRSA-N 1 1 496.656 2.704 20 30 JFEDMO C=C(Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC001286618992 1060734289 /nfs/dbraw/zinc/73/42/89/1060734289.db2.gz LAUYKKPFKRUBNQ-QPPBQGQZSA-N 1 1 466.630 2.907 20 30 JFEDMO C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001286619616 1060735870 /nfs/dbraw/zinc/73/58/70/1060735870.db2.gz BQQJZVWJIQAWRG-OKZBNKHCSA-N 1 1 459.060 2.732 20 30 JFEDMO C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286622110 1060738953 /nfs/dbraw/zinc/73/89/53/1060738953.db2.gz CVMHJGOZROZXFM-MGPUTAFESA-N 1 1 473.965 2.595 20 30 JFEDMO C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286623306 1060741071 /nfs/dbraw/zinc/74/10/71/1060741071.db2.gz FLCLKDYQDJXASP-SCLBCKFNSA-N 1 1 496.841 2.777 20 30 JFEDMO C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001286623875 1060741677 /nfs/dbraw/zinc/74/16/77/1060741677.db2.gz YISOREKVZBORKT-UHFFFAOYSA-N 1 1 453.978 2.704 20 30 JFEDMO C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001286623875 1060741693 /nfs/dbraw/zinc/74/16/93/1060741693.db2.gz YISOREKVZBORKT-UHFFFAOYSA-N 1 1 453.978 2.704 20 30 JFEDMO C=C(Cl)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001286626441 1060744676 /nfs/dbraw/zinc/74/46/76/1060744676.db2.gz WNTHKUFWJIPCQM-SFHVURJKSA-N 1 1 461.010 2.931 20 30 JFEDMO C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC001286626853 1060745786 /nfs/dbraw/zinc/74/57/86/1060745786.db2.gz LPPPAGNKOOZNSR-GOSISDBHSA-N 1 1 496.081 2.928 20 30 JFEDMO C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001286628401 1060748077 /nfs/dbraw/zinc/74/80/77/1060748077.db2.gz HDJNXOFIXJWENT-SFHVURJKSA-N 1 1 467.014 2.666 20 30 JFEDMO C=C(Cl)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001286628401 1060748089 /nfs/dbraw/zinc/74/80/89/1060748089.db2.gz HDJNXOFIXJWENT-SFHVURJKSA-N 1 1 467.014 2.666 20 30 JFEDMO C=C(Cl)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001286629966 1060750706 /nfs/dbraw/zinc/75/07/06/1060750706.db2.gz OZRALVBCIVBGGS-IBGZPJMESA-N 1 1 499.056 2.886 20 30 JFEDMO C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001286631190 1060752081 /nfs/dbraw/zinc/75/20/81/1060752081.db2.gz CBQAUCMZWLPEJF-UHFFFAOYSA-N 1 1 457.022 2.950 20 30 JFEDMO C=C(Cl)Cn1c(CCc2ccccc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001286631190 1060752101 /nfs/dbraw/zinc/75/21/01/1060752101.db2.gz CBQAUCMZWLPEJF-UHFFFAOYSA-N 1 1 457.022 2.950 20 30 JFEDMO C=C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001286640239 1060759970 /nfs/dbraw/zinc/75/99/70/1060759970.db2.gz IDIFBJIYBFQOMF-UHFFFAOYSA-N 1 1 460.529 2.867 20 30 JFEDMO C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+](CC)C2CC2)CC1 ZINC001286640349 1060760603 /nfs/dbraw/zinc/76/06/03/1060760603.db2.gz IZABYGAKEWNZTN-UHFFFAOYSA-N 1 1 458.632 2.836 20 30 JFEDMO C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001286674910 1060788961 /nfs/dbraw/zinc/78/89/61/1060788961.db2.gz KAZUTQFWJAIYCM-LJQANCHMSA-N 1 1 499.685 2.615 20 30 JFEDMO C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286710769 1060829549 /nfs/dbraw/zinc/82/95/49/1060829549.db2.gz CWOBSBPKHNFKJV-HYBUGGRVSA-N 1 1 481.645 2.620 20 30 JFEDMO C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286712600 1060836406 /nfs/dbraw/zinc/83/64/06/1060836406.db2.gz DRXVESNHPCNELA-RDPSFJRHSA-N 1 1 484.620 2.590 20 30 JFEDMO C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001286756733 1060883242 /nfs/dbraw/zinc/88/32/42/1060883242.db2.gz UBSSDODCBCAIRC-UHFFFAOYSA-N 1 1 490.656 2.879 20 30 JFEDMO C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001286788270 1060945516 /nfs/dbraw/zinc/94/55/16/1060945516.db2.gz SWSWNCIBKLTJKJ-IFMALSPDSA-N 1 1 452.603 2.923 20 30 JFEDMO C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001286790041 1060950919 /nfs/dbraw/zinc/95/09/19/1060950919.db2.gz BIVMEHFYTTUUOQ-QFIPXVFZSA-N 1 1 468.602 2.649 20 30 JFEDMO C=CCOc1ccc(Cn2c(C)nnc2N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286794640 1060969105 /nfs/dbraw/zinc/96/91/05/1060969105.db2.gz MYBZPKQXHJKOTC-NTKDMRAZSA-N 1 1 452.603 2.579 20 30 JFEDMO C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001286796878 1060975148 /nfs/dbraw/zinc/97/51/48/1060975148.db2.gz YAVKHCJNCACSNX-LJQANCHMSA-N 1 1 490.674 2.812 20 30 JFEDMO C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC001286797514 1060976961 /nfs/dbraw/zinc/97/69/61/1060976961.db2.gz YKIWLEJAZAQXKH-RBBKRZOGSA-N 1 1 482.629 2.576 20 30 JFEDMO C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286828426 1061076084 /nfs/dbraw/zinc/07/60/84/1061076084.db2.gz MSGBKFFREZVCEI-SIKLNZKXSA-N 1 1 469.659 2.638 20 30 JFEDMO C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001286830824 1061078726 /nfs/dbraw/zinc/07/87/26/1061078726.db2.gz VKHJSZNOSXAMAO-DENIHFKCSA-N 1 1 469.659 2.638 20 30 JFEDMO C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001286958753 1061725945 /nfs/dbraw/zinc/72/59/45/1061725945.db2.gz BLEUJELCLZCYSK-RTWAWAEBSA-N 1 1 487.612 2.732 20 30 JFEDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001286964578 1061739019 /nfs/dbraw/zinc/73/90/19/1061739019.db2.gz CFCWLTSSBLSRMQ-MOPGFXCFSA-N 1 1 472.663 2.954 20 30 JFEDMO CCCC[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001294228106 1061743109 /nfs/dbraw/zinc/74/31/09/1061743109.db2.gz AOVVQCUBRNHOBG-NLFFAJNJSA-N 1 1 468.602 2.845 20 30 JFEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 ZINC001294318622 1061818262 /nfs/dbraw/zinc/81/82/62/1061818262.db2.gz UTZOTRQERHCJSQ-MOPGFXCFSA-N 1 1 471.631 2.653 20 30 JFEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001294460531 1062008519 /nfs/dbraw/zinc/00/85/19/1062008519.db2.gz FRMCKPQRBFMRPP-RSTPCFTMSA-N 1 1 463.586 2.640 20 30 JFEDMO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C1 ZINC001294461493 1062011106 /nfs/dbraw/zinc/01/11/06/1062011106.db2.gz ZZCHQYYNFXIEBD-JTHBVZDNSA-N 1 1 465.646 2.953 20 30 JFEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)CN2CCOCC2)C1 ZINC001294461493 1062011131 /nfs/dbraw/zinc/01/11/31/1062011131.db2.gz ZZCHQYYNFXIEBD-JTHBVZDNSA-N 1 1 465.646 2.953 20 30 JFEDMO CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001287047270 1062031918 /nfs/dbraw/zinc/03/19/18/1062031918.db2.gz DNTAEXJVYLSFMH-UHFFFAOYSA-N 1 1 494.644 2.558 20 30 JFEDMO CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001287047270 1062031943 /nfs/dbraw/zinc/03/19/43/1062031943.db2.gz DNTAEXJVYLSFMH-UHFFFAOYSA-N 1 1 494.644 2.558 20 30 JFEDMO 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C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286474124 1060381235 /nfs/dbraw/zinc/38/12/35/1060381235.db2.gz BDZLZZHTQQTCDD-QFIPXVFZSA-N 1 1 496.656 2.609 20 30 JFEDMO C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001286474692 1060386470 /nfs/dbraw/zinc/38/64/70/1060386470.db2.gz OSHPNZVYTJJHPU-NRFANRHFSA-N 1 1 452.603 2.592 20 30 JFEDMO C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001286475113 1060389621 /nfs/dbraw/zinc/38/96/21/1060389621.db2.gz QXXDMDSSNYBYNL-FQEVSTJZSA-N 1 1 457.420 2.947 20 30 JFEDMO C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@H+](CC)CCC(F)(F)F)CC1 ZINC001286475731 1060391035 /nfs/dbraw/zinc/39/10/35/1060391035.db2.gz HNHDPMGVMGIICZ-UHFFFAOYSA-N 1 1 478.519 2.703 20 30 JFEDMO C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001286483827 1060411157 /nfs/dbraw/zinc/41/11/57/1060411157.db2.gz ZTMBZHKGVYAXEO-QHCPKHFHSA-N 1 1 450.631 2.919 20 30 JFEDMO C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001286485670 1060428389 /nfs/dbraw/zinc/42/83/89/1060428389.db2.gz UJUIOINGGIAHQM-VXKWHMMOSA-N 1 1 485.677 2.837 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001286486670 1060437464 /nfs/dbraw/zinc/43/74/64/1060437464.db2.gz AGOUSOHWQYHLPT-UHFFFAOYSA-N 1 1 490.450 2.732 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001286487332 1060443475 /nfs/dbraw/zinc/44/34/75/1060443475.db2.gz VATAPHLBFSAFSP-HSZRJFAPSA-N 1 1 462.642 2.932 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001286489362 1060462029 /nfs/dbraw/zinc/46/20/29/1060462029.db2.gz PUCMJAGIEPAJFC-SFHVURJKSA-N 1 1 485.032 2.915 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCn2cc[nH+]c2C)CC1 ZINC001286489505 1060464877 /nfs/dbraw/zinc/46/48/77/1060464877.db2.gz VLDUCZOTVPNFJR-UHFFFAOYSA-N 1 1 470.581 2.768 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286490543 1060475716 /nfs/dbraw/zinc/47/57/16/1060475716.db2.gz XNBMICKUVGAQJA-HXUWFJFHSA-N 1 1 451.619 2.751 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(COc3ccccc3F)n2CCCn2cc[nH+]c2C)CC1 ZINC001286492776 1060498795 /nfs/dbraw/zinc/49/87/95/1060498795.db2.gz PMARIQROVHFZHL-UHFFFAOYSA-N 1 1 479.560 2.557 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001286494719 1060508649 /nfs/dbraw/zinc/50/86/49/1060508649.db2.gz QIWXVOUJLPAYHB-DEOSSOPVSA-N 1 1 492.668 2.912 20 30 JFEDMO C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001286495280 1060510735 /nfs/dbraw/zinc/51/07/35/1060510735.db2.gz XWVJVEIGUFPULX-GGAORHGYSA-N 1 1 470.662 2.854 20 30 JFEDMO C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001286497178 1060516757 /nfs/dbraw/zinc/51/67/57/1060516757.db2.gz OMVSCHAZFJEYRP-RTWAWAEBSA-N 1 1 455.628 2.922 20 30 JFEDMO C#CCSCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001286497178 1060516777 /nfs/dbraw/zinc/51/67/77/1060516777.db2.gz OMVSCHAZFJEYRP-RTWAWAEBSA-N 1 1 455.628 2.922 20 30 JFEDMO C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001286498678 1060519425 /nfs/dbraw/zinc/51/94/25/1060519425.db2.gz DLKMVEDAVCPQHO-UHFFFAOYSA-N 1 1 479.654 2.993 20 30 JFEDMO C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286500894 1060525812 /nfs/dbraw/zinc/52/58/12/1060525812.db2.gz GTRXHHFWDMXTEZ-PGRDOPGGSA-N 1 1 487.073 2.954 20 30 JFEDMO C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001286504619 1060530549 /nfs/dbraw/zinc/53/05/49/1060530549.db2.gz OOCIVPKTQWHJEZ-RTBURBONSA-N 1 1 479.654 2.960 20 30 JFEDMO C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001286512130 1060546337 /nfs/dbraw/zinc/54/63/37/1060546337.db2.gz SCMHDKCKZOIVFU-UHFFFAOYSA-N 1 1 455.657 2.890 20 30 JFEDMO C#CCSCCn1c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001286512978 1060548205 /nfs/dbraw/zinc/54/82/05/1060548205.db2.gz PFZZKNTXEQIRAY-AREMUKBSSA-N 1 1 494.665 2.881 20 30 JFEDMO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001286516258 1060552067 /nfs/dbraw/zinc/55/20/67/1060552067.db2.gz FIPUQVAKXDIRQE-NTKDMRAZSA-N 1 1 472.659 2.769 20 30 JFEDMO C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001286524022 1060558555 /nfs/dbraw/zinc/55/85/55/1060558555.db2.gz GMFAGKHMSYEFSW-QFQXNSOFSA-N 1 1 450.631 2.896 20 30 JFEDMO C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001286530000 1060561814 /nfs/dbraw/zinc/56/18/14/1060561814.db2.gz CRCJUAYOLSAWNQ-UHFFFAOYSA-N 1 1 453.410 2.709 20 30 JFEDMO C=C(Br)Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286535961 1060574480 /nfs/dbraw/zinc/57/44/80/1060574480.db2.gz MOFXSJXWUAYLJO-IIDMSEBBSA-N 1 1 453.429 2.689 20 30 JFEDMO C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001286538016 1060579884 /nfs/dbraw/zinc/57/98/84/1060579884.db2.gz LBOSTZONEHSWHP-VQTJNVASSA-N 1 1 497.482 2.660 20 30 JFEDMO C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001286540391 1060583759 /nfs/dbraw/zinc/58/37/59/1060583759.db2.gz AIEQKRKCSFWEES-INIZCTEOSA-N 1 1 472.453 2.544 20 30 JFEDMO C=C(Br)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001286545215 1060592142 /nfs/dbraw/zinc/59/21/42/1060592142.db2.gz VCPOXQIDWZRSRQ-WMLDXEAASA-N 1 1 452.422 2.996 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC001286561749 1060637879 /nfs/dbraw/zinc/63/78/79/1060637879.db2.gz OHOZGLRVGSQGFB-VWPQPMDRSA-N 1 1 455.607 2.653 20 30 JFEDMO C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C ZINC001286562927 1060643626 /nfs/dbraw/zinc/64/36/26/1060643626.db2.gz MVTAROCUPPAMOX-ZRBLBEILSA-N 1 1 474.694 2.788 20 30 JFEDMO C=C(C)CN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001286581845 1060669417 /nfs/dbraw/zinc/66/94/17/1060669417.db2.gz WDQFSPNRAMYYIP-LEWJYISDSA-N 1 1 492.665 2.957 20 30 JFEDMO C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286584288 1060674581 /nfs/dbraw/zinc/67/45/81/1060674581.db2.gz DANPYUQOAKWVCY-HNAYVOBHSA-N 1 1 476.423 2.601 20 30 JFEDMO C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001286585001 1060676689 /nfs/dbraw/zinc/67/66/89/1060676689.db2.gz TVGPXHYRDAZMLC-HXUWFJFHSA-N 1 1 473.021 2.986 20 30 JFEDMO C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001286588310 1060682535 /nfs/dbraw/zinc/68/25/35/1060682535.db2.gz QJDKAWLEULRTGE-IEBWSBKVSA-N 1 1 457.575 2.704 20 30 JFEDMO C=C(C)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286588496 1060683424 /nfs/dbraw/zinc/68/34/24/1060683424.db2.gz RWOBKSRFWCHXDO-SFHVURJKSA-N 1 1 457.575 2.706 20 30 JFEDMO C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001286597586 1060698996 /nfs/dbraw/zinc/69/89/96/1060698996.db2.gz UEKNHXQSZFPSFS-UHFFFAOYSA-N 1 1 458.582 2.953 20 30 JFEDMO C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001286597586 1060699001 /nfs/dbraw/zinc/69/90/01/1060699001.db2.gz UEKNHXQSZFPSFS-UHFFFAOYSA-N 1 1 458.582 2.953 20 30 JFEDMO C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001286604149 1060707738 /nfs/dbraw/zinc/70/77/38/1060707738.db2.gz GMOWKRSACLPOCQ-PMACEKPBSA-N 1 1 490.674 2.707 20 30 JFEDMO C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001286604641 1060710549 /nfs/dbraw/zinc/71/05/49/1060710549.db2.gz NOIMVYSRSQVBSB-XXBNENTESA-N 1 1 471.602 2.712 20 30 JFEDMO C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001286607504 1060717274 /nfs/dbraw/zinc/71/72/74/1060717274.db2.gz QNKNZCOGJDLPJJ-OALUTQOASA-N 1 1 475.663 2.750 20 30 JFEDMO C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001286611311 1060722122 /nfs/dbraw/zinc/72/21/22/1060722122.db2.gz IOQLURLOGJTLJI-QHCPKHFHSA-N 1 1 488.677 2.883 20 30 JFEDMO C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286613164 1060726060 /nfs/dbraw/zinc/72/60/60/1060726060.db2.gz SHLNJPOQMGXUCP-RCZVLFRGSA-N 1 1 496.656 2.747 20 30 JFEDMO C=C(Cl)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286623282 1060740535 /nfs/dbraw/zinc/74/05/35/1060740535.db2.gz FHOSDTLMACKRIE-AOMKIAJQSA-N 1 1 489.020 2.704 20 30 JFEDMO C=C(Cl)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001286623304 1060741153 /nfs/dbraw/zinc/74/11/53/1060741153.db2.gz FLCLKDYQDJXASP-FZKQIMNGSA-N 1 1 496.841 2.777 20 30 JFEDMO C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001286626321 1060744157 /nfs/dbraw/zinc/74/41/57/1060744157.db2.gz RZHFTQACJXHHAL-JXFKEZNVSA-N 1 1 489.020 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C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291102349 1063077752 /nfs/dbraw/zinc/07/77/52/1063077752.db2.gz LXUFVCGPQZJGJG-ZWKOTPCHSA-N 1 1 465.668 2.529 20 30 JFEDMO CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1=O ZINC001287758420 1063084232 /nfs/dbraw/zinc/08/42/32/1063084232.db2.gz BHLLBVCGVCGMFB-OAQYLSRUSA-N 1 1 479.629 2.622 20 30 JFEDMO C[C@H]1CCC[N@@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001291124960 1063146654 /nfs/dbraw/zinc/14/66/54/1063146654.db2.gz MPDBAOBOLHBRSL-PZJWPPBQSA-N 1 1 465.602 2.552 20 30 JFEDMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)C1 ZINC001291124961 1063146681 /nfs/dbraw/zinc/14/66/81/1063146681.db2.gz MPDBAOBOLHBRSL-TZIWHRDSSA-N 1 1 465.602 2.552 20 30 JFEDMO C[C@@H]1CCC[N@@H+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)C1 ZINC001291124958 1063146778 /nfs/dbraw/zinc/14/67/78/1063146778.db2.gz MPDBAOBOLHBRSL-CTNGQTDRSA-N 1 1 465.602 2.552 20 30 JFEDMO C[C@@H]1CCC[N@@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1 ZINC001291128749 1063165389 /nfs/dbraw/zinc/16/53/89/1063165389.db2.gz BUAPDTGSHWPBSX-HXUWFJFHSA-N 1 1 460.586 2.930 20 30 JFEDMO C[C@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001291136651 1063193523 /nfs/dbraw/zinc/19/35/23/1063193523.db2.gz BBMNPJLERNCMJQ-YADARESESA-N 1 1 485.658 2.810 20 30 JFEDMO C[C@@H]1CCC[N@H+]1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 ZINC001291139738 1063204656 /nfs/dbraw/zinc/20/46/56/1063204656.db2.gz JMKKKFIVHXJRPB-ZHSNQQFMSA-N 1 1 461.586 2.975 20 30 JFEDMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc[nH+]c2C)CC1 ZINC001295349587 1063293693 /nfs/dbraw/zinc/29/36/93/1063293693.db2.gz VEFVAIMUZSJMQK-UHFFFAOYSA-N 1 1 475.601 2.996 20 30 JFEDMO C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC001291217757 1063440744 /nfs/dbraw/zinc/44/07/44/1063440744.db2.gz HWHUTDOVSUXRPJ-WOIUINJBSA-N 1 1 495.628 2.887 20 30 JFEDMO C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001291223142 1063462742 /nfs/dbraw/zinc/46/27/42/1063462742.db2.gz ANQIIHCYEGMULK-APWZRJJASA-N 1 1 464.492 2.900 20 30 JFEDMO CC[NH+](CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 ZINC001295545874 1063580689 /nfs/dbraw/zinc/58/06/89/1063580689.db2.gz WAJNBWCFKYCLDQ-QHCPKHFHSA-N 1 1 451.619 2.850 20 30 JFEDMO C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291287548 1063639615 /nfs/dbraw/zinc/63/96/15/1063639615.db2.gz DNLNMYNIJPIKOU-AABGKKOBSA-N 1 1 472.565 2.787 20 30 JFEDMO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1CC(F)(F)F ZINC001291306609 1063719204 /nfs/dbraw/zinc/71/92/04/1063719204.db2.gz CFIZCBSEVOWDJM-ROUUACIJSA-N 1 1 477.535 2.610 20 30 JFEDMO C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1CC(F)(F)F ZINC001291306609 1063719221 /nfs/dbraw/zinc/71/92/21/1063719221.db2.gz CFIZCBSEVOWDJM-ROUUACIJSA-N 1 1 477.535 2.610 20 30 JFEDMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291306848 1063720623 /nfs/dbraw/zinc/72/06/23/1063720623.db2.gz IIRKBVPLUFOSRM-WIYYLYMNSA-N 1 1 481.601 2.641 20 30 JFEDMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291306848 1063720626 /nfs/dbraw/zinc/72/06/26/1063720626.db2.gz IIRKBVPLUFOSRM-WIYYLYMNSA-N 1 1 481.601 2.641 20 30 JFEDMO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295722021 1063737182 /nfs/dbraw/zinc/73/71/82/1063737182.db2.gz HTFJNSGCCNPEHV-GOTSBHOMSA-N 1 1 479.629 2.765 20 30 JFEDMO CC[N@@H+](CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1)CCC(F)(F)F ZINC001295831503 1063846342 /nfs/dbraw/zinc/84/63/42/1063846342.db2.gz YZUJFJIMTZOSDP-FQEVSTJZSA-N 1 1 492.485 2.637 20 30 JFEDMO CC[N@@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)C(C)C ZINC001295855338 1063885196 /nfs/dbraw/zinc/88/51/96/1063885196.db2.gz CRTNUYJKBHVZRJ-WZONZLPQSA-N 1 1 479.601 2.759 20 30 JFEDMO CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1)CCC(F)(F)F ZINC001295865369 1063897182 /nfs/dbraw/zinc/89/71/82/1063897182.db2.gz BZXAQFKSUKJLSD-HXUWFJFHSA-N 1 1 455.529 2.805 20 30 JFEDMO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001295876399 1063914777 /nfs/dbraw/zinc/91/47/77/1063914777.db2.gz ANGLCWQUPSAPIY-IBGZPJMESA-N 1 1 458.632 2.952 20 30 JFEDMO CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC001295905860 1063961519 /nfs/dbraw/zinc/96/15/19/1063961519.db2.gz RNMZMRDOTKYBLD-HSZRJFAPSA-N 1 1 489.628 2.612 20 30 JFEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1C ZINC001296014034 1064075677 /nfs/dbraw/zinc/07/56/77/1064075677.db2.gz XPFKSYLXRIISBD-STSQHVNTSA-N 1 1 456.616 2.516 20 30 JFEDMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC001296033686 1064091782 /nfs/dbraw/zinc/09/17/82/1064091782.db2.gz NJPPEXJVSKYTST-UXHICEINSA-N 1 1 485.608 2.681 20 30 JFEDMO CC[N@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC001296033688 1064092228 /nfs/dbraw/zinc/09/22/28/1064092228.db2.gz NJPPEXJVSKYTST-WOJBJXKFSA-N 1 1 485.608 2.681 20 30 JFEDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)C1 ZINC001296036853 1064096816 /nfs/dbraw/zinc/09/68/16/1064096816.db2.gz MYOFUYOBSUIEIF-RRPUWOKSSA-N 1 1 479.629 2.526 20 30 JFEDMO CC[N@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)C1 ZINC001296036851 1064096931 /nfs/dbraw/zinc/09/69/31/1064096931.db2.gz MYOFUYOBSUIEIF-IEIRFRATSA-N 1 1 479.629 2.526 20 30 JFEDMO CC[N@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H](C)CC#N)C1 ZINC001296048804 1064108338 /nfs/dbraw/zinc/10/83/38/1064108338.db2.gz YIUUIOVPJCETGY-CEXWTWQISA-N 1 1 461.611 2.667 20 30 JFEDMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 ZINC001296072837 1064137581 /nfs/dbraw/zinc/13/75/81/1064137581.db2.gz FVDLXIFYIFOICA-JOCHJYFZSA-N 1 1 465.602 2.566 20 30 JFEDMO CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291610886 1064148752 /nfs/dbraw/zinc/14/87/52/1064148752.db2.gz RHGBTWPHNOLMJS-ZJSXRUAMSA-N 1 1 492.672 2.933 20 30 JFEDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001296088374 1064158226 /nfs/dbraw/zinc/15/82/26/1064158226.db2.gz KTILJUWXINLHDE-RTWAWAEBSA-N 1 1 456.616 2.705 20 30 JFEDMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001296089229 1064160123 /nfs/dbraw/zinc/16/01/23/1064160123.db2.gz YZCSDZBFAPWHIA-RTWAWAEBSA-N 1 1 456.616 2.563 20 30 JFEDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC001291766936 1064249025 /nfs/dbraw/zinc/24/90/25/1064249025.db2.gz HATJFZLAGFYSBW-IBGZPJMESA-N 1 1 487.674 2.797 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001291767142 1064249371 /nfs/dbraw/zinc/24/93/71/1064249371.db2.gz JLMYAKBMPIGOFZ-LJQANCHMSA-N 1 1 486.628 2.787 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001291768459 1064250772 /nfs/dbraw/zinc/25/07/72/1064250772.db2.gz WETOJKHFIRJJKP-HXUWFJFHSA-N 1 1 479.629 2.622 20 30 JFEDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001291771981 1064255153 /nfs/dbraw/zinc/25/51/53/1064255153.db2.gz MUYXNMYUTKPISU-FQEVSTJZSA-N 1 1 459.602 2.659 20 30 JFEDMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001291772323 1064255417 /nfs/dbraw/zinc/25/54/17/1064255417.db2.gz OEAXTCHKEKELPM-PMACEKPBSA-N 1 1 474.617 2.756 20 30 JFEDMO CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001291782808 1064274152 /nfs/dbraw/zinc/27/41/52/1064274152.db2.gz UAOIXVPPFCBILC-GOSISDBHSA-N 1 1 479.658 2.957 20 30 JFEDMO CC[C@H](C)[N@@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291785421 1064280985 /nfs/dbraw/zinc/28/09/85/1064280985.db2.gz VNXZRXIIVSXHAI-UGKGYDQZSA-N 1 1 488.658 2.863 20 30 JFEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296185261 1064333138 /nfs/dbraw/zinc/33/31/38/1064333138.db2.gz OEBVQBNISPWFNH-VGSWGCGISA-N 1 1 460.989 2.709 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001296191136 1064341282 /nfs/dbraw/zinc/34/12/82/1064341282.db2.gz HFBPWHYSNSMEBH-REWPJTCUSA-N 1 1 451.619 2.564 20 30 JFEDMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296194748 1064357542 /nfs/dbraw/zinc/35/75/42/1064357542.db2.gz FRSZZWQWIYOEJI-DEOSSOPVSA-N 1 1 455.582 2.813 20 30 JFEDMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001296194753 1064357574 /nfs/dbraw/zinc/35/75/74/1064357574.db2.gz FRSZZWQWIYOEJI-XMMPIXPASA-N 1 1 455.582 2.813 20 30 JFEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001296196611 1064368669 /nfs/dbraw/zinc/36/86/69/1064368669.db2.gz YKISYYVESJTDMT-CYFREDJKSA-N 1 1 457.573 2.724 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)O ZINC001292104812 1064797700 /nfs/dbraw/zinc/79/77/00/1064797700.db2.gz IJESGSPVRLKRCH-UHFFFAOYSA-N 1 1 467.618 2.551 20 30 JFEDMO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCC[C@H]1C ZINC001292123668 1064862955 /nfs/dbraw/zinc/86/29/55/1064862955.db2.gz HNPOUFLGWZFQOP-HRFSGMKKSA-N 1 1 493.656 2.941 20 30 JFEDMO CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC001292264710 1065044587 /nfs/dbraw/zinc/04/45/87/1065044587.db2.gz URSQSDIXTMLZKT-ZRBLBEILSA-N 1 1 468.602 2.621 20 30 JFEDMO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001292660165 1065395853 /nfs/dbraw/zinc/39/58/53/1065395853.db2.gz BVGHJFPSIXQEAG-UHFFFAOYSA-N 1 1 459.550 2.511 20 30 JFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC001292663562 1065399084 /nfs/dbraw/zinc/39/90/84/1065399084.db2.gz YZULUPNFDFEZGE-WSTZPKSXSA-N 1 1 458.006 2.582 20 30 JFEDMO CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)cs1 ZINC001292727586 1065487461 /nfs/dbraw/zinc/48/74/61/1065487461.db2.gz VTEVXZCWRBJKOZ-UHFFFAOYSA-N 1 1 478.626 2.636 20 30 JFEDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)CC1 ZINC001293002742 1065687891 /nfs/dbraw/zinc/68/78/91/1065687891.db2.gz PMNDDQDOQZTENJ-UHFFFAOYSA-N 1 1 451.502 2.615 20 30 JFEDMO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001293097569 1065748296 /nfs/dbraw/zinc/74/82/96/1065748296.db2.gz OOTMSIABZXVXKZ-LJQANCHMSA-N 1 1 455.582 2.679 20 30 JFEDMO CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC[N@@H+](C)C(C)C)CC2)n1 ZINC001293186474 1065811444 /nfs/dbraw/zinc/81/14/44/1065811444.db2.gz VUEDRZMAGBOJPE-LJQANCHMSA-N 1 1 477.617 2.986 20 30 JFEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnc2C)CC[N@H+]1CCOC ZINC001293561042 1066075055 /nfs/dbraw/zinc/07/50/55/1066075055.db2.gz NFINNDIDAWTXPR-QHCPKHFHSA-N 1 1 462.602 2.959 20 30 JFEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)[NH+](C)C)CCN1CCOC ZINC001293562870 1066076248 /nfs/dbraw/zinc/07/62/48/1066076248.db2.gz WKPXFGYQCXCWTH-XZOQPEGZSA-N 1 1 451.619 2.704 20 30 JFEDMO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CC[N@H+]1CCOC ZINC001294066990 1066537390 /nfs/dbraw/zinc/53/73/90/1066537390.db2.gz LMCYITHXFIWEQB-XMMPIXPASA-N 1 1 489.624 2.809 20 30 JFEDMO