smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=[NH2+])Nc1cc(C2(C=CCC(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)CCCC2)cc(O[C@@]2(C[NH2+]C)CC[C@H](C[C@H](O)OC)C2)c1O ZINC000085596935 291954889 /nfs/dbraw/zinc/95/48/89/291954889.db2.gz GTYXISQBPFWXIP-XSZFSFRVSA-N 2 0 706.925 6.295 1 30 biogenic,in-vitro KKEFRP C[C@H]1CN(C(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)=[NH+]C2CCCCC2)CC[NH2+]1 ZINC000013581444 561720087 /nfs/dbraw/zinc/72/00/87/561720087.db2.gz PBZOSRKDAHPMMH-IBGZPJMESA-N 2 0 516.517 5.360 1 30 KKEFRP COc1cc([C@@H]2Cc3c(c(=O)c4cc(Cl)ccc4n3O)/C(=[NH+]/CCC[NH+]3CCCCC3)C2)cc(OC)c1OC ZINC000027087796 561836757 /nfs/dbraw/zinc/83/67/57/561836757.db2.gz OBQWILWBTBXBKC-OLMGQCMGSA-N 2 0 554.087 5.313 1 30 KKEFRP C[NH+](CC(=O)Nc1nc2cc3nc(NC(=O)C[N@@H+](C)C4CCCCCCC4)sc3cc2s1)C1CCCCCCC1 ZINC000027184142 561842325 /nfs/dbraw/zinc/84/23/25/561842325.db2.gz DYGSHOXYCQLVGS-UHFFFAOYSA-N 2 0 584.856 8.171 1 30 KKEFRP O=C(N[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1)[C@H](Cc1ccc2ccccc2c1)NC(NC1CCCCC1)=[NH+]C1CCCCC1 ZINC000027187320 561842809 /nfs/dbraw/zinc/84/28/09/561842809.db2.gz ZXWXGXKPUVYKPX-PWKGVPDKSA-N 2 0 695.996 8.363 1 30 KKEFRP O=C([C@H](Cc1ccc2ccccc2c1)NC(NC1CCCCC1)=[NH+]C1CCCCC1)N(Cc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000027187309 561842872 /nfs/dbraw/zinc/84/28/72/561842872.db2.gz DTGUAPQTFGCOSV-UWXQCODUSA-N 2 0 619.898 7.075 1 30 KKEFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@@H](C)C[NH+]2CCC(C#N)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027547405 561867098 /nfs/dbraw/zinc/86/70/98/561867098.db2.gz IYHKQABMQSZQIQ-RCRUUEGKSA-N 2 0 548.678 6.161 1 30 KKEFRP CC(=O)CCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCCC(C)=O)cc3)cc2)cc1 ZINC000027635265 561874313 /nfs/dbraw/zinc/87/43/13/561874313.db2.gz LRFWZDSWRUDJOX-UHFFFAOYSA-N 2 0 570.774 6.277 1 30 KKEFRP CSCC[C@@H](NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CC[NH+](CCCC[n+]2c3ccccc3sc3cc(=NN=N)ccc2-3)CC1 ZINC000029493237 562029338 /nfs/dbraw/zinc/02/93/38/562029338.db2.gz BSQFXUZPQUWGGO-MGBGTMOVSA-N 2 0 733.964 7.867 1 30 KKEFRP CC[NH+](CC)CCCNC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(=[NH2+])NCCC[NH+](CC)CC)cc3)o2)cc1 ZINC000032052981 562036822 /nfs/dbraw/zinc/03/68/22/562036822.db2.gz ZUTVYOSJZQYIGK-UHFFFAOYSA-N 4 0 530.761 5.698 1 30 KKEFRP N#Cc1cccc(-c2ccc([C@@H]([NH2+]Cc3nc4cc(F)c(Cl)cc4[nH]3)C3CC[NH+](C4CCCC4)CC3)cc2)c1 ZINC000038157869 562069810 /nfs/dbraw/zinc/06/98/10/562069810.db2.gz OKZJGDJSXQYNID-JGCGQSQUSA-N 2 0 542.102 7.380 1 30 KKEFRP COc1ccc(C(=O)/C=C/c2cc(-c3cc(C)cc(C)c3)ccc2OCC[N+](C)(C)C)c(C[N+](C)(C)C)c1 ZINC000040747311 562079188 /nfs/dbraw/zinc/07/91/88/562079188.db2.gz ZFNJZWYIQFSDNM-GXDHUFHOSA-N 2 0 516.726 6.166 1 30 KKEFRP C[C@H](C[NH+]1CCC(c2ccccc2)CC1)[C@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000043532223 562649292 /nfs/dbraw/zinc/64/92/92/562649292.db2.gz SEUASQXSMHDBLG-PBBNMVCDSA-N 2 0 566.605 8.252 1 30 KKEFRP C#CCCOc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OCCC#C)ccc2ccccc21 ZINC000045325136 562661250 /nfs/dbraw/zinc/66/12/50/562661250.db2.gz FUQJMKMIAJPYDR-UHFFFAOYSA-N 2 0 532.728 7.237 1 30 KKEFRP COc1cc(/C=C2\CC/C(=C\c3ccc(OCCC[NH+](C)C)c(OC)c3)C2=O)ccc1OCCC[NH+](C)C ZINC000049066880 562663916 /nfs/dbraw/zinc/66/39/16/562663916.db2.gz ZZGNPNBWFLFWMR-FQHZWJPGSA-N 2 0 522.686 5.195 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@@](O)(C#C[C@](O)(c2ccc(OCC[NH+](CC)CC)cc2)c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049604904 562665085 /nfs/dbraw/zinc/66/50/85/562665085.db2.gz KGSDCBAXNZVXOU-XRSDMRJBSA-N 2 0 710.828 6.120 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@](O)(C#C[C@@](O)(c2ccc(OCC[NH+](CC)CC)cc2)c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049604906 562665088 /nfs/dbraw/zinc/66/50/88/562665088.db2.gz KGSDCBAXNZVXOU-ZAQUEYBZSA-N 2 0 710.828 6.120 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@@](O)(C#C[C@@](O)(c2ccccc2)c2ccc(OCC[NH+](CC)CC)cc2)c2ccccc2)cc1 ZINC000049605030 562665215 /nfs/dbraw/zinc/66/52/15/562665215.db2.gz OSPPMWGVSXYVSO-XRSDMRJBSA-N 2 0 620.834 6.303 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@@](O)(C#C[C@@](O)(c2ccc(C)cc2)c2ccc(OCC[NH+](CC)CC)cc2)c2ccc(C)cc2)cc1 ZINC000049613908 562666493 /nfs/dbraw/zinc/66/64/93/562666493.db2.gz YTWFKYRWNBZZAU-NCRNUEESSA-N 2 0 648.888 6.920 1 30 KKEFRP CCC[NH+](CCC)CCOc1ccc([C@](O)(C#C[C@@](O)(c2ccc(OCC[NH+](CCC)CCC)cc2)c2cccc(Cl)c2)c2cccc(Cl)c2)cc1 ZINC000049625624 562666818 /nfs/dbraw/zinc/66/68/18/562666818.db2.gz RUBPQZUPPJWYJF-NDOUMJCMSA-N 2 0 745.832 9.170 1 30 KKEFRP NC(=[NH2+])NCCCOc1ccc(CN(C(=O)c2ccccc2OCCC[NH3+])c2nc3ccc(Oc4ccc(O)cc4)cc3s2)cc1 ZINC000049669720 562668114 /nfs/dbraw/zinc/66/81/14/562668114.db2.gz BLHUKYKUAQAMCB-UHFFFAOYSA-N 2 0 640.766 5.411 1 30 KKEFRP COc1ccc(/C=C2/CC[N@H+]3[C@@H]4[C@@]5(C[C@@H]3CCC2=O)C[NH+]2CC[C@H]5C(c3nccc5c6cccc(O)c6[nH]c53)=C[C@@]4(O)CC/C=C\CCCC2)cc1OC ZINC000049710002 562671527 /nfs/dbraw/zinc/67/15/27/562671527.db2.gz PIEBCUIAMJMPER-KARWPXHQSA-N 2 0 728.934 7.675 1 30 KKEFRP O=C1CC[C@H]2C[C@]34C[N@H+]5CC[C@H]3C(c3nccc6c7cccc(O)c7[nH]c63)=C[C@@](O)(CC/C=C\CCCC5)[C@@H]4[NH+]2CC/C1=C/c1c(Cl)cccc1Cl ZINC000049710150 562671608 /nfs/dbraw/zinc/67/16/08/562671608.db2.gz IAHQSZBOMPDYFS-PPLJFVSWSA-N 2 0 737.772 8.965 1 30 KKEFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccc3C#N)CC2)C1 ZINC000049802168 562685548 /nfs/dbraw/zinc/68/55/48/562685548.db2.gz LKQDBBJKIDVDIQ-GDLZYMKVSA-N 2 0 730.923 5.577 1 30 KKEFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccc3C#N)CC2)C1 ZINC000049802169 562685556 /nfs/dbraw/zinc/68/55/56/562685556.db2.gz LKQDBBJKIDVDIQ-LJAQVGFWSA-N 2 0 730.923 5.577 1 30 KKEFRP C[NH+](C)CCCCCCCNC(=S)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCCCCCCC[NH+](C)C)c2ccccc12 ZINC000049908120 562693487 /nfs/dbraw/zinc/69/34/87/562693487.db2.gz GUDMTIDFBLLLDT-SDOZPZOWSA-N 2 0 663.018 6.613 1 30 KKEFRP [NH3+]CCCCCN1C(Nc2ccc(-c3ccccc3)cc2)=[NH+]c2ccccc2[C@H]1CC(=O)NCc1ccccc1 ZINC000049933074 562694868 /nfs/dbraw/zinc/69/48/68/562694868.db2.gz NCLKJWJCTJQAEQ-JGCGQSQUSA-N 2 0 531.704 6.645 1 30 KKEFRP CCCCCCCCC/[NH+]=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000071316769 562718032 /nfs/dbraw/zinc/71/80/32/562718032.db2.gz ZJCKJAAGYDYMLV-GOJREDGKSA-N 2 0 536.720 8.126 1 30 KKEFRP CCCCCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000071330587 562719177 /nfs/dbraw/zinc/71/91/77/562719177.db2.gz NISPVHKSBITFCL-UHFFFAOYSA-N 2 0 552.763 8.187 1 30 KKEFRP COc1ccc2c(c1OC(=O)CCCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000095550201 562760012 /nfs/dbraw/zinc/76/00/12/562760012.db2.gz FNFFHKIIVSQELF-ODDJTSCWSA-N 2 0 782.931 5.400 1 30 KKEFRP CCCCCCCc1ccccc1C[NH2+]C[C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2CCCCCCC)C1 ZINC000095590087 562775163 /nfs/dbraw/zinc/77/51/63/562775163.db2.gz FWMUWWJUFHNNOR-MEKGRNQZSA-N 2 0 518.874 9.398 1 30 KKEFRP NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C[NH2+]Cc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000095596502 562776991 /nfs/dbraw/zinc/77/69/91/562776991.db2.gz XAIUZHJQTOFAGT-UHFFFAOYSA-N 2 0 760.770 6.129 1 30 KKEFRP COc1ccc(C[C@H](NC(=O)Nc2ccc3c(C[NH+]4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)cc1 ZINC000095608019 562783292 /nfs/dbraw/zinc/78/32/92/562783292.db2.gz YQWMSSSNZMXRPP-YDAXCOIMSA-N 2 0 789.957 5.021 1 30 KKEFRP CCC[NH+](CCC)CCOc1ccc([C@@](O)(C#C[C@](O)(c2ccc(OCC[NH+](CCC)CCC)cc2)c2cccc(Cl)c2)c2cccc(Cl)c2)cc1 ZINC000095617314 562787964 /nfs/dbraw/zinc/78/79/64/562787964.db2.gz RUBPQZUPPJWYJF-CXNSMIOJSA-N 2 0 745.832 9.170 1 30 KKEFRP CCCCCCCCCCn1c[n+](Cc2ccc(C[n+]3cn(CCCCCCCCCC)c4ccccc43)cc2)c2ccccc21 ZINC000098084129 562805594 /nfs/dbraw/zinc/80/55/94/562805594.db2.gz FEONKFVEBFERTM-UHFFFAOYSA-N 2 0 620.970 10.549 1 30 KKEFRP CCCCCCCCCn1c[n+](Cc2ccc(C[n+]3cn(CCCCCCCCC)c4ccccc43)cc2)c2ccccc21 ZINC000098084128 562805607 /nfs/dbraw/zinc/80/56/07/562805607.db2.gz ROOTVGDLKPBAQW-UHFFFAOYSA-N 2 0 592.916 9.769 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccc2)=CC1=O)Cc1ccccc1 ZINC000101069766 562809005 /nfs/dbraw/zinc/80/90/05/562809005.db2.gz KBWUBMMFRHZIRD-UHFFFAOYSA-N 2 0 572.838 6.250 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccc2Cl)=CC1=O)Cc1ccccc1Cl ZINC000101109300 562809233 /nfs/dbraw/zinc/80/92/33/562809233.db2.gz NDXMYEYXNUVGFB-UHFFFAOYSA-N 2 0 641.728 7.557 1 30 KKEFRP C[C@H]1/C(=N\CCC[NH+](C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102156784 562812808 /nfs/dbraw/zinc/81/28/08/562812808.db2.gz NPPMHUYHRRXJOP-PPMPSAIGSA-N 2 0 505.968 5.628 1 30 KKEFRP C[N+](C)(CCCC[N+](C)(C)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150586808 562845869 /nfs/dbraw/zinc/84/58/69/562845869.db2.gz CPMYPXDJAUVFIE-UHFFFAOYSA-N 2 0 930.638 11.559 1 30 KKEFRP CC(C)NC(NCCCCn1cc(-c2ccc3ccc4ccc(-c5cn(CCCCNC(NC(C)C)=[NH+]C(C)C)nn5)nc4c3n2)nn1)=[NH+]C(C)C ZINC000150595373 562846594 /nfs/dbraw/zinc/84/65/94/562846594.db2.gz OPZNSIPOUWYDFC-UHFFFAOYSA-N 2 0 708.964 5.564 1 30 KKEFRP CCC1=C[C@@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C#N)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169296847 562852480 /nfs/dbraw/zinc/85/24/80/562852480.db2.gz SDGCXPZEYBHPAE-QYFVRUCASA-N 2 0 759.948 5.147 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](OC(=O)NC(C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000169317730 562855998 /nfs/dbraw/zinc/85/59/98/562855998.db2.gz QKDREOIGKWPZQZ-PMDGCZDBSA-N 2 0 783.682 9.035 1 30 KKEFRP CC[NH+](CC)CCOc1ccc(/C=C/C(=O)c2ccc3c(c2OCC[NH+](CC)CC)C=CC(C)(C)O3)cc1 ZINC000169335174 562859624 /nfs/dbraw/zinc/85/96/24/562859624.db2.gz CRVDLUYPKJGIAK-GHRIWEEISA-N 2 0 520.714 6.208 1 30 KKEFRP C=C[C@@H]1C[NH+]2CC[C@H]1C[C@H]2[C@H](OCC(=O)OCCC[N@H+](C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1ccnc2ccc(OC)cc21 ZINC000299826600 562883912 /nfs/dbraw/zinc/88/39/12/562883912.db2.gz NUDXKXVBWYDILJ-OZCODRHQSA-N 2 0 731.887 5.735 1 30 KKEFRP C=CC[N+]1(C)CCN(c2ccc(C=CC(=O)CC(=O)C=Cc3ccc(N4CC[N+](C)(CC=C)CC4)cc3)cc2)CC1 ZINC000653784988 562912330 /nfs/dbraw/zinc/91/23/30/562912330.db2.gz OUJPAZQFNWMJLK-JYFOCSDGSA-O 2 0 554.779 5.329 1 30 KKEFRP C[NH2+]CCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)[NH3+])cc3)c2-c2ccc(O)cc2)c1 ZINC000085629849 565162109 /nfs/dbraw/zinc/16/21/09/565162109.db2.gz REAOLPKGEVPVAO-SOFGYWHQSA-N 2 0 651.848 6.827 1 30 biogenic,in-vitro KKEFRP CC1(C)Cc2cc3[nH]c(cc4[nH+]c(cc5[nH]c(cc1n2)cc5C#CC[N+](C)(C)C)CC4(C)C)cc3C#CC[N+](C)(C)C ZINC000049783984 717130408 /nfs/dbraw/zinc/13/04/08/717130408.db2.gz JGZCHTJDDZRLBJ-UHFFFAOYSA-N 3 0 562.806 5.471 1 30 KKEFRP C=CC[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@@H+]5CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@H]57)C2 ZINC000049946998 717130533 /nfs/dbraw/zinc/13/05/33/717130533.db2.gz SQFWNWHBBKLBMR-YUIDAARSSA-N 2 0 627.853 5.332 1 30 KKEFRP C=CC[N@+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@@H+]5CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@H]57)C2 ZINC000253660853 717167036 /nfs/dbraw/zinc/16/70/36/717167036.db2.gz SQFWNWHBBKLBMR-BHOBTELBSA-N 2 0 627.853 5.332 1 30 KKEFRP C=CC[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@@H]7N(c8ccccc8[C@@]78CC[N@+]7(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]87)[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@H]6[C@H]54 ZINC000253752279 717168372 /nfs/dbraw/zinc/16/83/72/717168372.db2.gz KPXQYLXOSUNABC-CZXWDWLPSA-N 2 0 666.910 5.572 1 30 KKEFRP N#Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH+](Cc3ccoc3)CC2)c1 ZINC000014191792 561737565 /nfs/dbraw/zinc/73/75/65/561737565.db2.gz XOTSHFHJEWOEMY-UMSFTDKQSA-N 2 0 599.562 7.575 1 30 KKEFRP CC[NH+](CC)CCC[C@@H](C)/[NH+]=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083760 561835902 /nfs/dbraw/zinc/83/59/02/561835902.db2.gz BHAUGLNZCIYVCK-BWMRVXFXSA-N 2 0 548.942 7.229 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027550484 561867930 /nfs/dbraw/zinc/86/79/30/561867930.db2.gz AUQCRJDJIAOZCU-ZIBWAFEGSA-N 2 0 726.630 8.673 1 30 KKEFRP C=CCCCCCC[n+]1cccc(CCCCCCCCCCCCC[n+]2cccc(CCCC=C)c2)c1 ZINC000028643733 561944261 /nfs/dbraw/zinc/94/42/61/561944261.db2.gz NXJQAXIHFZRLQP-UHFFFAOYSA-N 2 0 518.874 9.441 1 30 KKEFRP [NH2+]=C(CCCCCCCCCCCCC(=[NH2+])NOC(=O)Nc1ccccc1)NOC(=O)Nc1ccccc1 ZINC000040412141 562075299 /nfs/dbraw/zinc/07/52/99/562075299.db2.gz XXJUHFNVIRLZJV-UHFFFAOYSA-N 2 0 524.666 6.919 1 30 KKEFRP C=C(C)[C@@H]1CC[C@@]2(C)CC([C@]34CC[C@@H]5C[C@H]6C[C@H]7C[C@@H]([NH2+]C)[C@@H](O)C[C@@H]7[C@@]6(CC3)[C@]5(C)[NH2+]4)=CC(C)=C2C1 ZINC000085550032 560071842 /nfs/dbraw/zinc/07/18/42/560071842.db2.gz WZDIHNVCUFRYRL-JLMUATLUSA-N 2 0 504.803 6.692 1 30 biogenic,in-vitro KKEFRP [NH3+]CCc1cc(Br)cc(C#Cc2cccc(C#Cc3cc(Br)cc(CC[NH3+])c3)c2)c1 ZINC000043178727 562646682 /nfs/dbraw/zinc/64/66/82/562646682.db2.gz JSVQCKAPBSOZCB-UHFFFAOYSA-N 2 0 522.284 5.014 1 30 in-vitro KKEFRP CCCCCCCC[NH+]=c1ccn(CCCCCCCCn2ccc(=[NH+]CCCCCCCC)cc2)cc1 ZINC000043676774 562650721 /nfs/dbraw/zinc/65/07/21/562650721.db2.gz QZUWOCHWDWBFLI-UHFFFAOYSA-N 2 0 522.866 8.853 1 30 KKEFRP CCCCCCC[NH+]=c1ccn(CCCCCCCCCCn2ccc(=[NH+]CCCCCCC)cc2)cc1 ZINC000043706562 562650843 /nfs/dbraw/zinc/65/08/43/562650843.db2.gz NAJKKQLPYUFKIV-UHFFFAOYSA-N 2 0 522.866 8.853 1 30 KKEFRP CC(C)[NH+](CCNC(=S)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCC[NH+](C(C)C)C(C)C)c2ccccc12)C(C)C ZINC000043919920 562651203 /nfs/dbraw/zinc/65/12/03/562651203.db2.gz QRERAODKVDFVGT-DITNJDIQSA-N 2 0 634.964 5.827 1 30 KKEFRP Cc1c2cc[nH]c2ccc1Nc1c(C#N)cncc1-c1cc2cc(C[NH+]3CCN(CC[NH+](C)C)CC3)ccc2o1 ZINC000045258706 562659986 /nfs/dbraw/zinc/65/99/86/562659986.db2.gz HDYPWSDXJZTYPP-UHFFFAOYSA-N 2 0 533.680 5.579 1 30 KKEFRP O=C1CC[C@H]2C[C@]34C[N@H+]5CC[C@H]3C(c3nccc6c7cccc(O)c7[nH]c63)=C[C@@](O)(CC/C=C\CCCC5)[C@@H]4[NH+]2CC/C1=C/c1ccc(F)cc1 ZINC000049710491 562671674 /nfs/dbraw/zinc/67/16/74/562671674.db2.gz AYPVEURVAMUPDW-RXCVRYRWSA-N 2 0 686.872 7.797 1 30 KKEFRP Clc1ccc(NC(Nc2ccc(Cl)cc2)=[NH+]CCCCCCC[NH+]=C(Nc2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000049745037 562673655 /nfs/dbraw/zinc/67/36/55/562673655.db2.gz GZWIUKLRISLUHH-UHFFFAOYSA-N 2 0 656.489 10.711 1 30 KKEFRP C(#Cc1cc(C#CCCC[n+]2cccc(-c3ccccc3)c2)cc(C#CCCC[n+]2cccc(-c3ccccc3)c2)c1)CCC[n+]1cccc(-c2ccccc2)c1 ZINC000049946824 562695634 /nfs/dbraw/zinc/69/56/34/562695634.db2.gz GNYBGWMBQKXKSR-UHFFFAOYSA-N 3 0 738.999 10.046 1 30 KKEFRP CCN(CC)C(NC(=[NH2+])Nc1ccc(Cl)c(Cl)c1)=[NH+]CCCCCC[NH+]=C(NC(=[NH2+])Nc1ccc(Cl)c(Cl)c1)N(CC)CC ZINC000058482920 562698079 /nfs/dbraw/zinc/69/80/79/562698079.db2.gz OGOAWBXGEDIFQC-UHFFFAOYSA-N 4 0 686.564 7.829 1 30 KKEFRP C(#Cc1cccc(C#CCCC[n+]2cccc(-c3ccccc3)c2)c1)CCC[n+]1cccc(-c2ccccc2)c1 ZINC000071294238 562716809 /nfs/dbraw/zinc/71/68/09/562716809.db2.gz BMXYCWDGEYADCJ-UHFFFAOYSA-N 2 0 518.704 7.259 1 30 KKEFRP Oc1ccc(-c2nc3ccc(F)cc3c3c2-c2ccc(OCC[NH+]4CCCC4)cc2/C3=N\OCC[NH+]2CCCC2)cc1 ZINC000082151793 562739990 /nfs/dbraw/zinc/73/99/90/562739990.db2.gz BGUKPTSAVDMBPP-NFSLGCCLSA-N 2 0 566.677 6.066 1 30 KKEFRP CCC1=C[C@@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C#N)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095544813 562757857 /nfs/dbraw/zinc/75/78/57/562757857.db2.gz SDGCXPZEYBHPAE-FTJSZWTNSA-N 2 0 759.948 5.147 1 30 KKEFRP COc1ccc2c(c1OCc1cccc(COc3c(OC)ccc4c3[C@@]35CC[N@H+](C)[C@@H](C4)[C@H]3C=C(OC)C(=O)C5)c1)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000095550163 562759945 /nfs/dbraw/zinc/75/99/45/562759945.db2.gz JCNDHWNQFLATCE-KBNPVKTLSA-N 2 0 760.928 6.096 1 30 KKEFRP CCCCCCCc1ccc(C[NH2+]C[C@H]2CCC[C@H](C[NH2+]Cc3ccc(CCCCCCC)cc3)C2)cc1 ZINC000095588811 562774748 /nfs/dbraw/zinc/77/47/48/562774748.db2.gz WGGBUUUEPSKVDZ-ZPGRZCPFSA-N 2 0 518.874 9.398 1 30 KKEFRP CCCCCCCc1ccccc1C[NH2+]C[C@H]1CCC[C@H](C[NH2+]Cc2ccccc2CCCCCCC)C1 ZINC000095590088 562775171 /nfs/dbraw/zinc/77/51/71/562775171.db2.gz FWMUWWJUFHNNOR-ACHIHNKUSA-N 2 0 518.874 9.398 1 30 KKEFRP NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C[NH2+]Cc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCCCC2)C1 ZINC000095593882 562776352 /nfs/dbraw/zinc/77/63/52/562776352.db2.gz NIAKGPCXIVJMCM-UHFFFAOYSA-N 2 0 655.674 6.859 1 30 KKEFRP C[C@@H]1COCC[N@@H+]1CCCn1nc(-c2ccc(Cl)c(C#Cc3ccc(C[NH2+]Cc4ccc(Cl)cc4)cc3)c2)c2c1CCN(C(=O)C(N)=O)C2 ZINC000095598191 562777380 /nfs/dbraw/zinc/77/73/80/562777380.db2.gz JJZJEXQVGRSUNR-AREMUKBSSA-N 2 0 699.683 5.027 1 30 KKEFRP [NH2+]=C(NCCCCN(CCCNC(=[NH2+])Nc1cccc2ccccc21)C(=[NH2+])Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000095604735 562781154 /nfs/dbraw/zinc/78/11/54/562781154.db2.gz WYCIMGULZDZOEV-UHFFFAOYSA-N 3 0 649.847 8.028 1 30 KKEFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4OC)cc3)c(OC)c2)c1 ZINC000095890991 562790188 /nfs/dbraw/zinc/79/01/88/562790188.db2.gz BKARLELMTCALHT-UHFFFAOYSA-P 2 0 674.758 5.712 1 30 KKEFRP C[C@@H]1/C(=N\CCC[NH+](C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102156779 562812812 /nfs/dbraw/zinc/81/28/12/562812812.db2.gz NPPMHUYHRRXJOP-VXYWTKDPSA-N 2 0 505.968 5.628 1 30 KKEFRP CCn1cc[n+](Cc2cc(/C=N/[C@@H]3CCCC[C@H]3/N=C/c3cc(C[n+]4ccn(CC)c4)cc(C(C)(C)C)c3O)c(O)c(C(C)(C)C)c2)c1 ZINC000103238968 562819276 /nfs/dbraw/zinc/81/92/76/562819276.db2.gz KSPJDANHPORLLC-LQFQNGICSA-P 2 0 652.928 6.856 1 30 KKEFRP COc1ccc([N-][NH+]=C2C=C(C=Nc3ccc(Oc4cccc(N=CC5=CC(=[NH+][N-]c6ccc(OC)cc6)C=C(OC)C5=O)c4)cc3)C(=O)C(OC)=C2)cc1 ZINC000150587959 562845948 /nfs/dbraw/zinc/84/59/48/562845948.db2.gz AYSAOWGDUASNOQ-YKPSVTIPSA-N 2 0 736.785 11.257 1 30 KKEFRP C=C[C@]12C=CC[N@@H+]3[C@@H](c4cc5c(cc4O)NC4=C(C(=O)OC)C[C@]6(CC)C=CC[NH+]7CC[C@]54[C@@H]76)C[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32 ZINC000150596040 562846672 /nfs/dbraw/zinc/84/66/72/562846672.db2.gz WWPFJILTZSGXBH-UKBNPBOMSA-N 2 0 700.836 5.238 1 30 KKEFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCNC3=CC(=O)C(NCCNc4c5ccc(Cl)cc5[nH+]c5ccc(OC)cc54)=CC3=O)c2c1 ZINC000150599725 562847065 /nfs/dbraw/zinc/84/70/65/562847065.db2.gz KLKNMJOUPXYLAQ-UHFFFAOYSA-N 2 0 707.618 7.036 1 30 KKEFRP N#Cc1ccc(-c2ccc(OC[C@H](O)C[N@@H+]3CCCN(C(=O)[C@@H](c4ccc5c(c4)OCO5)N4CCN(C/C=C/c5ccccc5)CC4)CC3)cc2)cc1 ZINC000169294088 562852216 /nfs/dbraw/zinc/85/22/16/562852216.db2.gz JVHITIMLGAKDTF-LTTJZRQYSA-N 2 0 713.879 5.300 1 30 KKEFRP CCCCCCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000169321348 562856621 /nfs/dbraw/zinc/85/66/21/562856621.db2.gz SEKGOJOWVNAQCB-DNQXCXABSA-N 2 0 500.772 6.843 1 30 KKEFRP CCC[C@H](C)CCC[C@H](C)[C@H](C=CC(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=[NH2+])NC)c(O)c(OCC[NH2+]C)c1 ZINC000085597061 565156715 /nfs/dbraw/zinc/15/67/15/565156715.db2.gz QWUZPGMLECZDNP-NMEKVAHJSA-N 2 0 610.840 6.430 1 30 biogenic,in-vitro KKEFRP C[NH2+]CCOc1cc(C[C@H](C=CC(=O)CCc2ccc(O)c(OC)c2)[C@H](C)CCCC(C)C)cc(NC(=[NH2+])NC2CCCCC2)c1O ZINC000085597049 565156755 /nfs/dbraw/zinc/15/67/55/565156755.db2.gz UAXLOYFYTTUEMT-LVJGZQRGSA-N 2 0 650.905 7.353 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@@H]1C[C@@H]2CCC[C@]34CC[C@]5(O)CC(=O)C[C@H](c6ccc(O)c(OC)c6)[C@@H](Cc6ccccc6)C#C[C@H](C[NH2+]3)[C@@H]5[C@@]24c2cc(O)c(O)cc21 ZINC000085626011 565159528 /nfs/dbraw/zinc/15/95/28/565159528.db2.gz KYZREZCBRWRUIB-FSZWFSOJSA-N 2 0 690.881 5.665 1 30 biogenic,in-vitro KKEFRP C=CC[N+]12CC[C@@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@@H]53)[C@@H](C[C@@H]41)/C(=C/CO)C2)c1ccccc1[C@@]71CC[N+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000169692878 717156960 /nfs/dbraw/zinc/15/69/60/717156960.db2.gz MUQUYTSLDVKIOF-GULQMXANSA-N 2 0 666.910 5.476 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000253634891 717166443 /nfs/dbraw/zinc/16/64/43/717166443.db2.gz VVZBCIOJHKFEKW-BJRNYFESSA-N 2 0 666.910 5.668 1 30 KKEFRP C=CC[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@@H]7N(c8ccccc8[C@@]78CC[N@+]7(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]87)[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 ZINC000253752292 717168216 /nfs/dbraw/zinc/16/82/16/717168216.db2.gz KPXQYLXOSUNABC-IGZNNLSMSA-N 2 0 666.910 5.572 1 30 KKEFRP COc1cc2c(cc1[C@H](C)[C@H]1[C@H](O)OC[C@@H]3[C@H]1C[C@H]1c4c(c5ccccc5n4C)C[C@@H]3[N+]1(C)C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)[N+]2(C)C ZINC000255211893 717171253 /nfs/dbraw/zinc/17/12/53/717171253.db2.gz GETFVBCYQSTQMQ-YVDLHOFPSA-N 2 0 734.982 6.307 1 30 KKEFRP CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]4C[C@H]([N+]5(C)CCCCC5)C(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1[NH+]1CCCCC1 ZINC000256370170 717176742 /nfs/dbraw/zinc/17/67/42/717176742.db2.gz BANAKMCCUGWTBY-KDIMNBAZSA-N 2 0 513.787 5.603 2 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CO[C@H]3N1c3ccccc3[C@@]34CC[N@@+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000299819958 717181012 /nfs/dbraw/zinc/18/10/12/717181012.db2.gz CGXQWTJFJFBOAR-BLAAWUERSA-N 2 0 652.883 5.626 1 30 KKEFRP CCCC[C@H]([NH3+])CC[C@@H]1C=C[C@@H]2Cc3cc4ccccc4cc3[C@H]1[C@@H]2C[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+] ZINC000085510046 291936816 /nfs/dbraw/zinc/93/68/16/291936816.db2.gz WBEOZABMRZVFGJ-YCJVBEPSSA-N 2 0 581.785 5.465 1 30 biogenic,in-vitro KKEFRP C(#CC1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1)C1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000005741590 561698052 /nfs/dbraw/zinc/69/80/52/561698052.db2.gz HUMBBWRZWQOMRB-UHFFFAOYSA-N 2 0 554.782 7.284 1 30 KKEFRP C[NH2+][C@H]1CCN(C(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)=[NH+]C2CCCCC2)C1 ZINC000013581494 561720193 /nfs/dbraw/zinc/72/01/93/561720193.db2.gz VMEVITMYQPTNSR-DEOSSOPVSA-N 2 0 516.517 5.169 1 30 KKEFRP C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000026663869 561810678 /nfs/dbraw/zinc/81/06/78/561810678.db2.gz HTRMKVILHUDNAN-BZKUTMRRSA-N 2 0 568.718 6.100 1 30 KKEFRP CC[NH+](CC)CCC[C@H](C)/[NH+]=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083767 561835873 /nfs/dbraw/zinc/83/58/73/561835873.db2.gz BHAUGLNZCIYVCK-VUIWTNMBSA-N 2 0 548.942 7.229 1 30 KKEFRP CC[NH+](CC)CC(C)(C)C/[NH+]=C1\C[C@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099920 561838505 /nfs/dbraw/zinc/83/85/05/561838505.db2.gz DMWNGIZJHIXVCB-XABDBMMESA-N 2 0 570.130 5.805 1 30 KKEFRP C[NH+](CC(=O)Nc1nc2cc3nc(NC(=O)C[N@@H+](C)C4CCCCC4)sc3cc2s1)C1CCCCC1 ZINC000027183888 561842106 /nfs/dbraw/zinc/84/21/06/561842106.db2.gz AHPHYTWVDMTUKF-UHFFFAOYSA-N 2 0 528.748 6.611 1 30 KKEFRP O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H](Cc1ccc2ccccc2c1)NC(NC1CCCCC1)=[NH+]C1CCCCC1 ZINC000027184098 561842279 /nfs/dbraw/zinc/84/22/79/561842279.db2.gz DQUWHEDLZKSAKF-FIRIVFDPSA-N 2 0 529.773 5.162 1 30 KKEFRP CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@@H](Cc2ccc3ccccc3c2)[NH+]=C(Nc2ccc(C)cc2)Nc2ccc(C)cc2)cc1 ZINC000027185160 561842426 /nfs/dbraw/zinc/84/24/26/561842426.db2.gz NKGRBVGMUXLPMU-WBVITSLISA-O 2 0 727.998 12.505 1 30 KKEFRP CC[NH+](CC)CC(=O)Nc1nc2c(s1)c(Cl)c1sc(NC(=O)C[NH+](CC)CC)nc1c2C#N ZINC000027186265 561842544 /nfs/dbraw/zinc/84/25/44/561842544.db2.gz GJNHQDBQPFPVJP-UHFFFAOYSA-N 2 0 508.073 5.291 1 30 KKEFRP CC[NH+](CC)CC(=O)Nc1nc2c(s1)c(Cl)c1sc(NC(=O)C[NH+](CC)CC)nc1c2Cl ZINC000027186272 561842676 /nfs/dbraw/zinc/84/26/76/561842676.db2.gz XVFSSYSVHOICOH-UHFFFAOYSA-N 2 0 517.508 6.072 1 30 KKEFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@H](C)C[NH+]2CCC(C#N)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027549030 561867453 /nfs/dbraw/zinc/86/74/53/561867453.db2.gz IYHKQABMQSZQIQ-CHJDUVSTSA-N 2 0 548.678 6.161 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCC[NH2+]C3CCN(c4ccccc4C(F)(F)F)CC3)NC#N)c2)C1C(=O)OC ZINC000028458474 561924409 /nfs/dbraw/zinc/92/44/09/561924409.db2.gz DKTNBYRKNCTDGA-IQKFOVTFSA-N 2 0 653.706 5.224 1 30 in-vivo KKEFRP CCCCc1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc(CCCC)c3)cc(C#CCCC[n+]3cccc(CCCC)c3)c2)c1 ZINC000028861861 561971843 /nfs/dbraw/zinc/97/18/43/561971843.db2.gz RXMKJBLUFDNNQU-UHFFFAOYSA-N 3 0 679.029 9.073 1 30 KKEFRP COc1cc(C=CC(O)=CC(=O)CCCCCCC2CC[NH2+]CC2)c(Cc2c[nH+]c(N)cc2CCc2ccccc2)cc1O ZINC000085630615 560068204 /nfs/dbraw/zinc/06/82/04/560068204.db2.gz NPLAKNKCECDIHS-FOCLMDBBSA-N 2 0 597.800 6.636 1 30 biogenic,in-vitro KKEFRP C#CCOc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OCC#C)ccc2ccccc21 ZINC000045187059 562658295 /nfs/dbraw/zinc/65/82/95/562658295.db2.gz OLRBDOAHUHOXAG-UHFFFAOYSA-N 2 0 504.674 6.457 1 30 KKEFRP CCN(CC)C(NC(=[NH2+])Nc1ccc(C)cc1)=[NH+]CCCCCC[NH+]=C(NC(=[NH2+])Nc1ccc(C)cc1)N(CC)CC ZINC000049626472 562667198 /nfs/dbraw/zinc/66/71/98/562667198.db2.gz YGVJASAXVZMYCX-UHFFFAOYSA-N 4 0 576.838 5.832 1 30 KKEFRP COc1cc(Cc2nc3c(ncnc3N)n2CCCC#CC[NH2+]CCCCCCCCCCCC[NH3+])cc(OC)c1OC ZINC000049889098 562691779 /nfs/dbraw/zinc/69/17/79/562691779.db2.gz KFKPHGZXOARCMO-UHFFFAOYSA-N 2 0 593.817 5.258 1 30 KKEFRP CCN(CC)C(NC(=[NH2+])Nc1ccc(Br)cc1)=[NH+]CCCCCC[NH+]=C(NC(=[NH2+])Nc1ccc(Br)cc1)N(CC)CC ZINC000058488195 562698220 /nfs/dbraw/zinc/69/82/20/562698220.db2.gz WLPSNGYODAXUJZ-UHFFFAOYSA-N 4 0 706.576 6.340 1 30 KKEFRP CCN(CC)C(NC(=[NH2+])NCc1ccc(Cl)cc1Cl)=[NH+]CCCCCC[NH+]=C(NC(=[NH2+])NCc1ccc(Cl)cc1Cl)N(CC)CC ZINC000058576596 562699720 /nfs/dbraw/zinc/69/97/20/562699720.db2.gz HETGNPZQMGYSES-UHFFFAOYSA-N 4 0 714.618 7.184 1 30 KKEFRP CCCCCCCCCC/[NH+]=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000071330960 562719235 /nfs/dbraw/zinc/71/92/35/562719235.db2.gz UIOKIUVZRBZCTE-HWLOXFRGSA-N 2 0 550.747 8.516 1 30 KKEFRP CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)[NH+]=C(N4)N65)[C@@H](C)NC(=[NH+]1)N32 ZINC000095558894 562762577 /nfs/dbraw/zinc/76/25/77/562762577.db2.gz CZTJWJLHIXLJLN-HXYGBWPCSA-N 2 0 594.889 6.412 1 30 KKEFRP CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(OCC[NH+]4CCCCC4)cc3)c2OCC[NH+]2CCCCC2)O1 ZINC000095592958 562776111 /nfs/dbraw/zinc/77/61/11/562776111.db2.gz UUVJCWIIJYMVMA-YNAZWERSSA-N 2 0 612.855 8.223 1 30 KKEFRP NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C[NH2+]Cc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000095595770 562776858 /nfs/dbraw/zinc/77/68/58/562776858.db2.gz XZOFNKRNWIKWEF-UHFFFAOYSA-N 2 0 751.681 6.581 1 30 KKEFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCCC[N+](C)(C)C)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095612692 562785738 /nfs/dbraw/zinc/78/57/38/562785738.db2.gz OZDVKEYRBSMIOJ-XIFFEERXSA-N 2 0 805.914 5.951 1 30 KKEFRP CC[NH+](CCCCCNC1=CC(=O)C(NCCCCC[N@@H+](CC)Cc2ccccc2OC)=CC1=O)Cc1ccccc1OC ZINC000101087379 562809083 /nfs/dbraw/zinc/80/90/83/562809083.db2.gz QBDPPJAQPGYPIJ-UHFFFAOYSA-N 2 0 604.836 5.487 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2cccs2)=CC1=O)Cc1cccs1 ZINC000101149227 562809518 /nfs/dbraw/zinc/80/95/18/562809518.db2.gz HNOUEYJFOGZGJQ-UHFFFAOYSA-N 2 0 584.896 6.373 1 30 KKEFRP O=C1C=C(NCCCCCC[NH2+]Cc2cc3ccccc3o2)C(=O)C=C1NCCCCCC[NH2+]Cc1cc2ccccc2o1 ZINC000101412762 562810610 /nfs/dbraw/zinc/81/06/10/562810610.db2.gz NJTBEMRBNQBIOG-UHFFFAOYSA-N 2 0 596.772 6.278 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCC[NH2+]C3CCN(c4ccccc4OC(F)(F)F)CC3)NC#N)c2)C1C(=O)OC ZINC000150345658 562843200 /nfs/dbraw/zinc/84/32/00/562843200.db2.gz SHYPRYWHAGQIQO-IQKFOVTFSA-N 2 0 669.705 5.103 1 30 in-vivo KKEFRP C=C[C@]12C=C[C@@H](c3cc4c(cc3O)NC3=C(C(=O)OC)C[C@]5(CC)C=CC[NH+]6CC[C@]43[C@@H]65)[N@@H+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32 ZINC000150596034 562846652 /nfs/dbraw/zinc/84/66/52/562846652.db2.gz AXXGCYQJMBDANR-WWVBXWHSSA-N 2 0 700.836 5.238 1 30 KKEFRP CCOC(=O)[C@H]1CCC[N@H+](CC2CC[NH+](CC[C@@H](/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000169327440 562858076 /nfs/dbraw/zinc/85/80/76/562858076.db2.gz DLNVCYVSPSXJST-NPJZXICKSA-N 2 0 754.640 8.711 1 30 KKEFRP N#Cc1ccc(-c2ccc(OC[C@H](O)C[N@@H+]3CCCN(C(=O)[C@H](c4ccc5c(c4)OCO5)N4CCN(C/C=C/c5ccccc5)CC4)CC3)cc2)cc1 ZINC000195244813 562871579 /nfs/dbraw/zinc/87/15/79/562871579.db2.gz JVHITIMLGAKDTF-LJYGITCBSA-N 2 0 713.879 5.300 1 30 KKEFRP CCCCCCCN1C(=[NH2+])N(CCCC[C@H]2C[NH+]=C(N)N2CCc2cccc(C(F)(F)F)c2)C[C@@H]1CC1CCCCC1 ZINC000299860936 562893072 /nfs/dbraw/zinc/89/30/72/562893072.db2.gz JZOMMYZTZSRILM-KYJUHHDHSA-N 2 0 590.823 7.489 1 30 KKEFRP C#CC[N@@H+](C)Cc1cc2cc(OCCCC3CC[NH+](Cc4ccc(OC)c5ncccc45)CC3)ccc2n1C ZINC000299862673 562893636 /nfs/dbraw/zinc/89/36/36/562893636.db2.gz KAMCYDVYIMMVEU-UHFFFAOYSA-N 2 0 524.709 5.871 1 30 KKEFRP CCCCCCCN1C(=[NH2+])N(CCCC[C@H]2C[NH+]=C(N)N2CCc2cccc(C(F)(F)F)c2)C[C@@H]1CCCC ZINC000299864472 562894130 /nfs/dbraw/zinc/89/41/30/562894130.db2.gz RJFLCXQIPTWBOC-SVBPBHIXSA-N 2 0 550.758 6.708 1 30 KKEFRP C#CC[N@@H+](C)Cc1cc2cc(OCCCC3CC[NH+](Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C ZINC000299867112 562894819 /nfs/dbraw/zinc/89/48/19/562894819.db2.gz PXAIJXLXGTZZNP-UHFFFAOYSA-N 2 0 581.761 5.923 1 30 KKEFRP CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)C[n+]1ccn(c1)CC1=CC([N+](=O)[O-])C=C(Cn2cc[n+](c2)Cc2ccc(cc2)C3=O)C1=O ZINC000377819911 562896109 /nfs/dbraw/zinc/89/61/09/562896109.db2.gz CTWIBDMGHBXHBT-UHFFFAOYSA-N 2 0 728.809 5.341 1 30 KKEFRP C[C@H](C=O)CC[C@H]([NH3+])CC[C@@H]1C=C[C@@H]2[C@H]3[C@@H]([C@@H](NC4=[NH+]CC=C4)C(=CC(=O)[O-])CNC(N)=[NH2+])CC[C@@H]2c2cc4ccc(CC=O)cc4cc2[C@@H]13 ZINC000085509913 565133950 /nfs/dbraw/zinc/13/39/50/565133950.db2.gz WKWOKTCNTZDBLL-IBIXYVSJSA-N 2 0 677.870 5.192 1 30 biogenic,in-vitro KKEFRP CNC(=[NH2+])Nc1cc(C2(CC=CC(=O)CCc3ccc(O)c(OC)c3)CCCC2)cc2c1OC#CC[C@H]1C[C@](C[NH2+]C)(C[C@H]1C[C@H](O)OC)O2 ZINC000085596944 565156666 /nfs/dbraw/zinc/15/66/66/565156666.db2.gz NPPPVEUQCKZTLF-DRNQCTEESA-N 2 0 688.866 5.388 1 30 biogenic,in-vitro KKEFRP COc1cc2c(cc1[C@H](C)C1=COC[C@@H]3[C@H]1C[C@H]1c4c(c5ccccc5n4C)C[C@@H]3[N+]1(C)C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)[N+]2(C)C ZINC000238785325 717163771 /nfs/dbraw/zinc/16/37/71/717163771.db2.gz HITLYKYFAIENDV-IUPWGKOLSA-N 2 0 716.967 7.256 1 30 KKEFRP C=CC[N@@+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@@+]5(CC=C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2 ZINC000253917890 717169065 /nfs/dbraw/zinc/16/90/65/717169065.db2.gz QHANGNNUHVLRLX-AZXHCDMCSA-N 2 0 668.926 6.033 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)[C@H](CC)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C[C@@H](CCO)[C@@H]6C[C@@H]12 ZINC000299822318 717180846 /nfs/dbraw/zinc/18/08/46/717180846.db2.gz IEFISMAATDYLFR-BCXXLGCUSA-N 2 0 654.943 6.663 1 30 KKEFRP C=CC[N+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N+]2(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]12 ZINC000008214356 252327773 /nfs/dbraw/zinc/32/77/73/252327773.db2.gz MUQUYTSLDVKIOF-OIBCBTBKSA-N 2 0 666.910 5.476 1 30 in-man KKEFRP CNC(=[NH2+])Nc1cc(C2(C=CCC(=O)CCc3ccc(O)c(OC)c3)CCCC2)cc(O[C@]2(C[NH2+]C)CC[C@H](C[C@H](O)OC)C2)c1O ZINC000085596950 291953514 /nfs/dbraw/zinc/95/35/14/291953514.db2.gz KKNALLCYGAOTEY-GGAYOZKKSA-N 2 0 652.833 5.124 1 30 biogenic,in-vitro KKEFRP C[C@@H]1CN(C(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)=[NH+]C2CCCCC2)CC[NH2+]1 ZINC000013581442 561720035 /nfs/dbraw/zinc/72/00/35/561720035.db2.gz PBZOSRKDAHPMMH-LJQANCHMSA-N 2 0 516.517 5.360 1 30 KKEFRP C[N+](C)(CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)C[C@@H]3CCCCO3)cc2)cc1)C[C@H]1CCCCO1 ZINC000013649938 561722803 /nfs/dbraw/zinc/72/28/03/561722803.db2.gz GRGPUVVVCRDZSY-RNPORBBMSA-N 2 0 522.730 5.010 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCCC[NH+]1CCCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2 ZINC000027084509 561836047 /nfs/dbraw/zinc/83/60/47/561836047.db2.gz RDGWYURKEMCOHW-DUADXOOSSA-N 2 0 546.033 6.696 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027554704 561869085 /nfs/dbraw/zinc/86/90/85/561869085.db2.gz PNFHNRJQQVSHOG-UAYKIUSHSA-N 2 0 698.576 7.893 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027550488 561867913 /nfs/dbraw/zinc/86/79/13/561867913.db2.gz VHRZZRMHNFWXJO-OILVNLEUSA-N 2 0 712.603 8.283 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027552796 561868538 /nfs/dbraw/zinc/86/85/38/561868538.db2.gz UFUOAMPDHLOAIL-AGBILMCSSA-N 2 0 725.602 7.633 1 30 KKEFRP Clc1ccc(/C(Cn2ccnc2)=N/O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000027553407 561868585 /nfs/dbraw/zinc/86/85/85/561868585.db2.gz MCLUDIMDSXHBFH-YTWDJBGZSA-N 2 0 509.224 6.556 1 30 KKEFRP C[NH+](C)CCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027897264 561890407 /nfs/dbraw/zinc/89/04/07/561890407.db2.gz RNRVUYGVIOJTMN-MEDLVQIGSA-N 2 0 734.609 8.639 1 30 KKEFRP COc1cc(C(=[NH2+])NCCCCCCCCNC(=[NH2+])c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000028460326 561925053 /nfs/dbraw/zinc/92/50/53/561925053.db2.gz LZPBIKKYZNJHSD-UHFFFAOYSA-N 2 0 622.810 7.523 1 30 KKEFRP CS(=O)(=O)O[C@H](c1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1)c1cccc(Cl)c1 ZINC000028822341 561966852 /nfs/dbraw/zinc/96/68/52/561966852.db2.gz TTXXRKZONXXSJF-UUWRZZSWSA-N 2 0 670.707 6.207 1 30 KKEFRP C[C@@H]1C[N@H+](CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 ZINC000034804269 562043058 /nfs/dbraw/zinc/04/30/58/562043058.db2.gz ZMMQSBUIFMJUKH-HWOONTJSSA-N 2 0 566.605 8.252 1 30 KKEFRP C[NH2+]C[C@H](C)CCCCCC(=O)C=C(O)C=Cc1cc(OC)c(O)cc1Cc1c[nH+]c(N)cc1CCc1ccccc1 ZINC000085630579 560068233 /nfs/dbraw/zinc/06/82/33/560068233.db2.gz BVPJOAKAXCLKMD-YFDWJFFGSA-N 2 0 571.762 6.102 1 30 biogenic,in-vitro KKEFRP CC[NH+](CC)CCCCCCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(C[N@H+](C)Cc3ccccc3)cc1)C2 ZINC000045355547 562661826 /nfs/dbraw/zinc/66/18/26/562661826.db2.gz JVWBHMCLFOYJGN-IWBSIUBASA-N 2 0 538.776 7.812 1 30 KKEFRP CC[NH+](CC)CCCCCOc1ccc2c(c1)CC/C(=C\c1ccc(C[N@H+](C)Cc3ccccc3)cc1)C2=O ZINC000045365514 562662053 /nfs/dbraw/zinc/66/20/53/562662053.db2.gz AQOBTKMEQOANSS-FEZSWGLMSA-N 2 0 524.749 7.422 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@](O)(C#C[C@](O)(c2ccccc2)c2ccc(OCC[NH+](CC)CC)cc2)c2ccccc2)cc1 ZINC000049605032 562665218 /nfs/dbraw/zinc/66/52/18/562665218.db2.gz OSPPMWGVSXYVSO-ZAQUEYBZSA-N 2 0 620.834 6.303 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@H](C(N)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049765575 562676988 /nfs/dbraw/zinc/67/69/88/562676988.db2.gz UFUOAMPDHLOAIL-AQUGLQFRSA-N 2 0 725.602 7.633 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@H](C(N)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049765576 562677010 /nfs/dbraw/zinc/67/70/10/562677010.db2.gz UFUOAMPDHLOAIL-YFNYLPRZSA-N 2 0 725.602 7.633 1 30 KKEFRP O=C(Nc1ccc(C(F)(F)F)cc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000049841514 562688467 /nfs/dbraw/zinc/68/84/67/562688467.db2.gz NQEAXCXPEAQMQV-UHFFFAOYSA-P 2 0 672.714 9.393 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@H](O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049902560 562693385 /nfs/dbraw/zinc/69/33/85/562693385.db2.gz PNFHNRJQQVSHOG-ZELQJMHMSA-N 2 0 698.576 7.893 1 30 KKEFRP CCN(CC)C(=NC(=[NH2+])NCCCCCCNC(=[NH2+])N=C(Nc1ccc(Cl)cc1)N(CC)CC)Nc1ccc(Cl)cc1 ZINC000049918204 562694623 /nfs/dbraw/zinc/69/46/23/562694623.db2.gz DSNDYRQTONHTDW-UHFFFAOYSA-N 2 0 617.674 6.331 1 30 KKEFRP CCCCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000071296472 562717570 /nfs/dbraw/zinc/71/75/70/562717570.db2.gz NCESDKUKCPAXKN-UHFFFAOYSA-N 2 0 538.736 7.797 1 30 KKEFRP CCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000071330708 562719156 /nfs/dbraw/zinc/71/91/56/562719156.db2.gz NWSSUJWCJDJJPF-UHFFFAOYSA-N 2 0 510.682 7.017 1 30 KKEFRP NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C[NH2+]Cc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCSCC2)C1 ZINC000095593861 562776361 /nfs/dbraw/zinc/77/63/61/562776361.db2.gz NPRCZDOQTUHSCB-UHFFFAOYSA-N 2 0 673.714 6.422 1 30 KKEFRP CCCCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCCCC)c5)cc4)cc3)cc2)c1 ZINC000095890978 562790182 /nfs/dbraw/zinc/79/01/82/562790182.db2.gz QBHCTHALOLDHOM-UHFFFAOYSA-P 2 0 698.868 8.035 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCCC[NH+]3CCC(C(C)(C)C)CC3)NC#N)c2)C1C(=O)OC ZINC000100040245 562806300 /nfs/dbraw/zinc/80/63/00/562806300.db2.gz NKILFLXMXIYUKV-RXDXAXPSSA-N 2 0 564.731 5.094 1 30 KKEFRP Fc1ccc(C2CC[NH+]([C@H]3CC[C@](C[NH2+]Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(c4ccccc4)CC3)CC2)cc1 ZINC000102256820 562813023 /nfs/dbraw/zinc/81/30/23/562813023.db2.gz OEIBCTIWBPBZIV-YALZGCRRSA-N 2 0 592.643 8.713 1 30 KKEFRP CC[C@H](C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(C(=[NH2+])N[C@@H](C)CC)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000139832875 562832784 /nfs/dbraw/zinc/83/27/84/562832784.db2.gz OIYDUEJDAGOPOS-VXKWHMMOSA-N 2 0 598.755 7.573 1 30 KKEFRP O=C1C=C(NCCCCCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)cc2)C(=O)C=C1NCCCCCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)cc1 ZINC000150539113 562844116 /nfs/dbraw/zinc/84/41/16/562844116.db2.gz DMJZMKWUENVGJJ-UHFFFAOYSA-N 2 0 783.080 9.339 1 30 KKEFRP O=C1C=C(NCCC[NH2+]CCCNc2c3ccccc3[nH+]c3c2CCCC3)C(=O)C=C1NCCC[NH2+]CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000150604195 562847546 /nfs/dbraw/zinc/84/75/46/562847546.db2.gz BMRWTIWDCQBEPK-UHFFFAOYSA-N 4 0 728.986 5.903 1 30 KKEFRP Cc1c2c(c(C)c(S(=O)(=O)N=C(N)NCCC[C@H]3C(=O)N(Cc4ccccc4)C[C@@H](CCc4ccccc4)N3Cc3ccccc3)c1C)CC(C)(C)O2 ZINC000150610116 562848315 /nfs/dbraw/zinc/84/83/15/562848315.db2.gz UWYSHGYCBOHTAU-ZUBDYPCQSA-N 2 0 735.995 6.613 1 30 KKEFRP C=C[C@@H]1C[NH+]2CC[C@H]1C[C@H]2[C@@H](OCC(=O)OCCC[N@H+](C)CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1ccnc2ccc(OC)cc21 ZINC000299826594 562883947 /nfs/dbraw/zinc/88/39/47/562883947.db2.gz NUDXKXVBWYDILJ-FKAGPILVSA-N 2 0 731.887 5.735 1 30 KKEFRP COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OCCCCC[n+]3ccccc3)c(OC)c2)ccc1OCCCCC[n+]1ccccc1 ZINC000299828541 562884509 /nfs/dbraw/zinc/88/45/09/562884509.db2.gz RPZOHFLNSQKKCW-MXWIWYRXSA-N 2 0 664.843 7.032 1 30 KKEFRP COc1cc(CC/C=C/C(=O)CCc2ccc(OCCCCC[n+]3ccccc3)c(OC)c2)ccc1OCCCCC[n+]1ccccc1 ZINC000299828488 562884529 /nfs/dbraw/zinc/88/45/29/562884529.db2.gz RLBLPKFOZDCEHW-QGMBQPNBSA-N 2 0 652.876 7.468 1 30 KKEFRP C[N@H+](Cc1ccccc1)Cc1ccc(/C=C2\Cc3ccc(OCCCCC[NH+]4CCC(=C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)cc3C2=O)cc1 ZINC000473249913 562905136 /nfs/dbraw/zinc/90/51/36/562905136.db2.gz YZNLRUIIKCLAJC-OJZPPULMSA-N 2 0 722.920 10.566 1 30 KKEFRP C[N@H+](Cc1ccccc1)Cc1ccc(C=C2Cc3ccc(OCCCCC[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3C2=O)cc1 ZINC000473249679 562905150 /nfs/dbraw/zinc/90/51/50/562905150.db2.gz YAXDIFQKOLGQGI-MDAYZVFASA-N 2 0 654.855 8.083 1 30 KKEFRP CCCC[C@H]([NH3+])CCC[C@H]1c2cc3cc(CC=O)ccc3cc2[C@@H]2CC[C@@H]([C@@H](NC3=[NH+]CC=C3)C(=CC(=O)[O-])CNC(N)=[NH2+])[C@H]1C2 ZINC000085510021 565133879 /nfs/dbraw/zinc/13/38/79/565133879.db2.gz WDQKWYUAFDXKRB-PUNDGZPVSA-N 2 0 625.838 5.745 1 30 biogenic,in-vitro KKEFRP CCCC=CC(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](NC(N)=[NH2+])C[C@H]1C=C3[C@H](C[C@@H](C)C[C@@H]3C[NH2+]C)[C@@H]2[C@H]1COC ZINC000085624916 565157963 /nfs/dbraw/zinc/15/79/63/565157963.db2.gz GZVLRXUYIFGXGY-JSFXAXOFSA-N 2 0 658.928 6.143 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@H](CCCCCC(=O)C=C(O)C=Cc1cc(OC)c(O)cc1Cc1c[nH+]c(N)cc1CCc1ccccc1)C1CC[NH2+]CC1 ZINC000085630532 565163169 /nfs/dbraw/zinc/16/31/69/565163169.db2.gz ZCESODYEYPICIY-KEUGXXJBSA-N 3 0 640.869 6.081 1 30 biogenic,in-vitro KKEFRP CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H]4C[C@H]([N+]5(C)CCCCC5)C(=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1[NH+]1CCCCC1 ZINC000256370164 717176789 /nfs/dbraw/zinc/17/67/89/717176789.db2.gz BANAKMCCUGWTBY-FTJRSVFCSA-N 2 0 513.787 5.603 2 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C/CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000263591617 717179736 /nfs/dbraw/zinc/17/97/36/717179736.db2.gz MUQUYTSLDVKIOF-YKOSLZTOSA-N 2 0 666.910 5.476 3 30 KKEFRP N#Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](Cc3ccoc3)CC2)c1 ZINC000003987159 561692875 /nfs/dbraw/zinc/69/28/75/561692875.db2.gz XOTSHFHJEWOEMY-UUWRZZSWSA-N 2 0 599.562 7.575 1 30 KKEFRP C[N+](C)(CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CC3CCCCC3)cc2)cc1)CC1CCCCC1 ZINC000013649940 561722789 /nfs/dbraw/zinc/72/27/89/561722789.db2.gz ZBFNAOHSORVIKK-UHFFFAOYSA-N 2 0 518.786 7.032 1 30 KKEFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@H](C)C[NH+]2CCC(C#N)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000014096344 561736540 /nfs/dbraw/zinc/73/65/40/561736540.db2.gz IYHKQABMQSZQIQ-SMSORMJASA-N 2 0 548.678 6.161 1 30 KKEFRP N#Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](CCCCCO)CC2)c1 ZINC000014191784 561737571 /nfs/dbraw/zinc/73/75/71/561737571.db2.gz PAKQKODTRSUOFG-UUWRZZSWSA-N 2 0 605.610 6.945 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCN(CC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026388057 561784943 /nfs/dbraw/zinc/78/49/43/561784943.db2.gz ZCXLYGVZLHNYBD-AGPGCDGQSA-N 2 0 740.617 6.504 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCC[NH+]1CCCCC1)C[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000027084046 561835826 /nfs/dbraw/zinc/83/58/26/561835826.db2.gz OCQZUCBHPALQLQ-AXQQZXIPSA-N 2 0 532.006 6.306 1 30 KKEFRP C[NH+]1CCN(CCC/[NH+]=C2\C[C@@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1 ZINC000027085587 561836184 /nfs/dbraw/zinc/83/61/84/561836184.db2.gz VTIRVLPRRQASCS-NTMICLKYSA-N 2 0 547.914 5.356 1 30 KKEFRP CC[NH+](CC)CCCC/[NH+]=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027089227 561836930 /nfs/dbraw/zinc/83/69/30/561836930.db2.gz VFZOUWDEBIUBHR-XABDBMMESA-N 2 0 534.022 6.552 1 30 KKEFRP CC[NH+](CC)CC(C)(C)C/[NH+]=C1\C[C@@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099914 561838523 /nfs/dbraw/zinc/83/85/23/561838523.db2.gz DMWNGIZJHIXVCB-AXQQZXIPSA-N 2 0 570.130 5.805 1 30 KKEFRP CCC[NH+](CCC)CC(=O)Nc1nc2cc3nc(NC(=O)C[NH+](CCC)CCC)sc3cc2s1 ZINC000027110154 561841337 /nfs/dbraw/zinc/84/13/37/561841337.db2.gz WURMEJRCIJKPCU-UHFFFAOYSA-N 2 0 504.726 6.326 1 30 KKEFRP CC[NH+](CC)CC(=O)Nc1nc2c(s1)c(Cl)c1sc(NC(=O)C[NH+](CC)CC)nc1c2Br ZINC000027181104 561841748 /nfs/dbraw/zinc/84/17/48/561841748.db2.gz UKKUUBZCPIEACO-UHFFFAOYSA-N 2 0 561.959 6.182 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027550032 561867755 /nfs/dbraw/zinc/86/77/55/561867755.db2.gz WCYNXQRFYZBERD-SZNSTGBYSA-N 2 0 684.549 7.768 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027551929 561868140 /nfs/dbraw/zinc/86/81/40/561868140.db2.gz IEBPGZDVZLOWFP-DCKSCVIDSA-N 2 0 712.603 8.140 1 30 KKEFRP CCCCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCCCC)cc3)cc2)cc1 ZINC000027633863 561874109 /nfs/dbraw/zinc/87/41/09/561874109.db2.gz UARIDADNFBYPDX-UHFFFAOYSA-N 2 0 542.808 7.919 1 30 KKEFRP C=CCN(CC=C)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N(CC=C)CC=C)cc4)cc3)cc2)cc1 ZINC000027859459 561886861 /nfs/dbraw/zinc/88/68/61/561886861.db2.gz NLEQBEQUUMJDMI-UHFFFAOYSA-N 2 0 556.798 6.500 1 30 KKEFRP CN(C/C(=N\OCCN1CC[NH2+]CC1)[C@@H](CC[NH+]1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000027884331 561889327 /nfs/dbraw/zinc/88/93/27/561889327.db2.gz GTFKLIDYRPSITH-ZYMAJTIOSA-N 2 0 740.604 6.301 1 30 KKEFRP CC(C)(CN1C(=O)c2cccc3cccc(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOc1ccon1 ZINC000028566794 561936460 /nfs/dbraw/zinc/93/64/60/561936460.db2.gz PHHKZKBSEAPAQT-UHFFFAOYSA-N 2 0 574.766 5.246 1 30 KKEFRP O=C1/C(=C/c2ccc(O)c(C[NH+]3CCCCC3)c2)CCC/C1=C\c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000031871339 562036631 /nfs/dbraw/zinc/03/66/31/562036631.db2.gz RQRCECSLBNENFG-BFNWXZRRSA-N 2 0 500.683 6.290 1 30 KKEFRP N#Cc1cccc(-c2ccc([C@H]([NH2+]Cc3nc4cc(F)c(Cl)cc4[nH]3)C3CC[NH+](C4CCCC4)CC3)cc2)c1 ZINC000038157868 562069732 /nfs/dbraw/zinc/06/97/32/562069732.db2.gz OKZJGDJSXQYNID-YTTGMZPUSA-N 2 0 542.102 7.380 1 30 KKEFRP N#Cc1cccc(-c2ccc([C@@H]([NH2+]Cc3nc4cc(F)c(Cl)cc4[nH]3)C3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000038157867 562069818 /nfs/dbraw/zinc/06/98/18/562069818.db2.gz IFIJZCFVDUUXOH-WJOKGBTCSA-N 2 0 528.075 6.847 1 30 KKEFRP NC(=[NH2+])NCC(=CC(=O)[O-])[C@@H](CC[C@@H](CCC[C@H]([NH3+])CCCCCCO)c1ccc2ccccc2c1)NC1=[NH+]CC=C1 ZINC000085510156 560074051 /nfs/dbraw/zinc/07/40/51/560074051.db2.gz XMVONLRRNFZMFW-QFTUZUKUSA-N 2 0 575.778 5.023 1 30 biogenic,in-vitro KKEFRP CCCCCCCCC[NH+]=c1ccn(CCCCCCn2ccc(=[NH+]CCCCCCCCC)cc2)cc1 ZINC000043706127 562650822 /nfs/dbraw/zinc/65/08/22/562650822.db2.gz LNSPGAPTOXIJGD-UHFFFAOYSA-N 2 0 522.866 8.853 1 30 KKEFRP CCN(CC)C(NC(=[NH2+])c1ccc(Cl)cc1)=[NH+]CCCCCC[NH+]=C(NC(=[NH2+])c1ccc(Cl)cc1)N(CC)CC ZINC000049605065 562665292 /nfs/dbraw/zinc/66/52/92/562665292.db2.gz JOSUDJHSKSBZNJ-UHFFFAOYSA-N 4 0 587.644 6.480 1 30 KKEFRP C=C1[C@@H]2Nc3c(cccc3C[C@@H]3C4=Nc5ccccc5[C@@]45CC[N@H+]4C[C@@H](CC)[C@@H]3C[C@H]45)[C@@]23CC[NH+]2C[C@@H](CC)[C@@H]1C[C@H]23 ZINC000049807456 562686362 /nfs/dbraw/zinc/68/63/62/562686362.db2.gz ZOKATMGICWFWCT-SYZQWITBSA-N 2 0 558.814 6.726 1 30 KKEFRP [NH3+]CCC[NH+](Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1)Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000049916475 562693493 /nfs/dbraw/zinc/69/34/93/562693493.db2.gz CCBWIYOHDPRNSN-UHFFFAOYSA-N 2 0 646.525 7.587 1 30 KKEFRP CC1=CCC[NH+](CCCC#Cc2cc(C#CCCC[NH+]3CCC=C(C)C3)cc(C#CCCC[N@H+]3CCC=C(C)C3)c2)C1 ZINC000066100791 562711295 /nfs/dbraw/zinc/71/12/95/562711295.db2.gz DWFYNNQWDXKIDX-UHFFFAOYSA-N 3 0 561.858 7.038 1 30 KKEFRP CCCC[N+](C)(CCCC)CC(=O)NCCC(=O)OC1(c2ccc(Cl)cc2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000071280903 562716575 /nfs/dbraw/zinc/71/65/75/562716575.db2.gz YRHNLXGKJYIFOV-UHFFFAOYSA-O 2 0 631.253 6.530 1 30 KKEFRP C[NH+](C)CCCO/N=C1\c2cc(OCCC[NH+](C)C)ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(O)cc1 ZINC000082150615 562739858 /nfs/dbraw/zinc/73/98/58/562739858.db2.gz SCOKTCFNUXPJQY-LVYIWIAJSA-N 2 0 542.655 5.778 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@@](O)(C#C[C@@](O)(c2ccc(Br)cc2)c2ccc(OCC[NH+](CC)CC)cc2)c2ccc(Br)cc2)cc1 ZINC000095543436 562757251 /nfs/dbraw/zinc/75/72/51/562757251.db2.gz DWHNWQOHRPIRKH-XRSDMRJBSA-N 2 0 778.626 7.828 1 30 KKEFRP C#CC[N@@H+](C)[C@H](C)Cc1ccc(OCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)cc1 ZINC000095587176 562774216 /nfs/dbraw/zinc/77/42/16/562774216.db2.gz GHBNZZGMFQJJER-XMMPIXPASA-N 2 0 518.145 7.314 1 30 KKEFRP CCCCCCCc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2CCCCCCC)C1 ZINC000095590089 562775153 /nfs/dbraw/zinc/77/51/53/562775153.db2.gz FWMUWWJUFHNNOR-ROJLCIKYSA-N 2 0 518.874 9.398 1 30 KKEFRP [NH3+]CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C[NH2+]Cc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCOCC2)C1 ZINC000095593888 562776363 /nfs/dbraw/zinc/77/63/63/562776363.db2.gz MHRQKUPRIQUCFQ-UHFFFAOYSA-N 2 0 671.673 5.112 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCCC[NH+]3CCC(c4ccccc4)CC3)NC#N)c2)C1C(=O)OC ZINC000100040155 562806291 /nfs/dbraw/zinc/80/62/91/562806291.db2.gz KERVGYRIIAQCCZ-UTDZTPKCSA-N 2 0 584.721 5.216 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccc2C)=CC1=O)Cc1ccccc1C ZINC000101110559 562809298 /nfs/dbraw/zinc/80/92/98/562809298.db2.gz FJCJZHJMWARDKI-UHFFFAOYSA-N 2 0 600.892 6.867 1 30 KKEFRP CCCCCCCN1C(N)=[NH+]C[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CCc2cccc(Br)c2)C1=[NH2+] ZINC000103251694 562820399 /nfs/dbraw/zinc/82/03/99/562820399.db2.gz CSBZGIDXCYZWBQ-XZWHSSHBSA-N 2 0 601.722 7.232 1 30 KKEFRP CC[C@H](C)NC(=[NH2+])c1cccc(OCc2ccc3cc(COc4cccc(C(=[NH2+])N[C@@H](C)CC)c4)ccc3c2)c1 ZINC000139877874 562832843 /nfs/dbraw/zinc/83/28/43/562832843.db2.gz AEBQKSLOMPAZPW-ZEQRLZLVSA-N 2 0 536.720 7.005 1 30 KKEFRP CC[C@H](C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])N[C@@H](C)CC)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000142670352 562834274 /nfs/dbraw/zinc/83/42/74/562834274.db2.gz VUGDEHFWTAZJIC-ZEQRLZLVSA-N 2 0 610.810 7.566 1 30 KKEFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCNC3=CC(=O)C(NCCCNc4c5ccc(Cl)cc5[nH+]c5ccc(OC)cc54)=CC3=O)c2c1 ZINC000150600039 562847094 /nfs/dbraw/zinc/84/70/94/562847094.db2.gz RKUQCAUKBQPUCD-UHFFFAOYSA-N 2 0 735.672 7.816 1 30 KKEFRP O=C1C=C(NCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)C(=O)C=C1NCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000150604198 562847597 /nfs/dbraw/zinc/84/75/97/562847597.db2.gz VPSQDBDHPJIPLE-UHFFFAOYSA-N 2 0 683.684 7.250 1 30 KKEFRP Clc1ccc2c(c1)nccc2N(CCC[NH+]1CCCCC1)/C(=N/CCC[NH+]1CCCCC1)c1ccccc1 ZINC000299863177 562893792 /nfs/dbraw/zinc/89/37/92/562893792.db2.gz OSIUGAGIICLMOK-LVYIWIAJSA-N 2 0 532.176 6.893 1 30 KKEFRP CCCCCCCCCCCCCCCCOC(=O)N1CCN([N+](O)=NOc2ccc([N+](=O)[O-])cc2[N+](C)=O)CC1 ZINC000377839590 562896259 /nfs/dbraw/zinc/89/62/59/562896259.db2.gz NCKXYFVXOSDXHU-UHFFFAOYSA-N 2 0 580.727 6.363 1 30 KKEFRP COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(=O)C[n+]4ccccc4)C[C@@H]4C[C@H](OC(=O)C[n+]5ccccc5)CC[C@]4(C)[C@H]3C[C@H](OC(=O)C[n+]3ccccc3)[C@]12C ZINC000473133995 562900426 /nfs/dbraw/zinc/90/04/26/562900426.db2.gz AKDWWKPXDIHEKC-DFFMOFNQSA-N 3 0 782.999 5.153 1 30 KKEFRP CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=[NH2+])NC)C[C@@]34CC[C@H](C[NH2+]C)C4)s2)s1 ZINC000085592311 565147083 /nfs/dbraw/zinc/14/70/83/565147083.db2.gz MFDVWHDXJMDRMI-ARVSNCNFSA-N 2 0 675.965 6.306 1 30 biogenic,in-vitro KKEFRP CNC(=[NH2+])Nc1cc(CCC=CC(=O)C2(Cc3ccc(O)c(OC)c3)CCCC2)cc(O[C@]2(C[NH2+]C)CC[C@H](C[C@H](O)OC)C2)c1O ZINC000085596955 565156744 /nfs/dbraw/zinc/15/67/44/565156744.db2.gz JMVXFMWEQFQMQR-PNWNRVLXSA-N 2 0 652.833 5.025 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@H]1C[C@@H]2CCC[C@H]3[NH2+]C[C@H]4C#C[C@@H](Cc5ccccc5)[C@H](c5ccc(O)c(OC)c5)CC(=O)C[C@H](O)[C@H]4[C@]32c2cc(O)c(O)cc21 ZINC000085626008 565159522 /nfs/dbraw/zinc/15/95/22/565159522.db2.gz RBWVYPRHAMVZNU-LLJRPRJUSA-N 2 0 664.843 5.131 1 30 biogenic,in-vitro KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6(CC=C)CC7=CO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000299819995 717180870 /nfs/dbraw/zinc/18/08/70/717180870.db2.gz CGXQWTJFJFBOAR-LRNPGKGCSA-N 2 0 652.883 5.626 1 30 KKEFRP CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@@H]4NC(=[NH2+])NC)[C@]3(CC[C@@H](C[NH2+]C)C3)C5)s2)s1 ZINC000085592278 291899271 /nfs/dbraw/zinc/89/92/71/291899271.db2.gz JHGJOBCRNWLPMQ-MTFSGRLWSA-N 2 0 766.090 7.458 1 30 biogenic,in-vitro KKEFRP CNC(=[NH2+])Nc1cc(C[C@H](C=CC(=O)CCc2ccc(O)c(OC)c2)[C@H](C)CCCC(C)C)cc(OCC[NH2+]C)c1O ZINC000085597036 291951850 /nfs/dbraw/zinc/95/18/50/291951850.db2.gz MCAOQQBBXQMBCW-DJUSEJNRSA-N 2 0 582.786 5.650 1 30 biogenic,in-vitro KKEFRP N#Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH2+]CC2)c1 ZINC000013977822 561735897 /nfs/dbraw/zinc/73/58/97/561735897.db2.gz HXOUWMDPXDNCQD-GDLZYMKVSA-N 2 0 519.476 6.070 1 30 KKEFRP CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(NC(C)C)=[NH+]C(C)C)cc1 ZINC000026575196 561799042 /nfs/dbraw/zinc/79/90/42/561799042.db2.gz KMGXSDVMRSQWJA-XIFFEERXSA-O 2 0 581.850 8.506 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCC[NH+]1CCCCC1)C[C@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000027084040 561835852 /nfs/dbraw/zinc/83/58/52/561835852.db2.gz OCQZUCBHPALQLQ-XABDBMMESA-N 2 0 532.006 6.306 1 30 KKEFRP CC[NH+](CC)CC(=O)Nc1nc2c(s1)c(Br)c1sc(NC(=O)C[NH+](CC)CC)nc1c2Cl ZINC000027109988 561841410 /nfs/dbraw/zinc/84/14/10/561841410.db2.gz YZGKGEAJWZTAFP-UHFFFAOYSA-N 2 0 561.959 6.182 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027551937 561868147 /nfs/dbraw/zinc/86/81/47/561868147.db2.gz GVFWBCYSHWYPGP-GPASVVQESA-N 2 0 682.577 8.922 1 30 KKEFRP CCCCNC(Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5)=[NH+]CCCC ZINC000027632516 561873971 /nfs/dbraw/zinc/87/39/71/561873971.db2.gz MWZUYJCNRGOMSC-XCQSDYEBSA-N 2 0 583.777 5.530 1 30 KKEFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc[n+](CCC)c4)cc3)cc2)c1 ZINC000031561771 562036233 /nfs/dbraw/zinc/03/62/33/562036233.db2.gz CHOTXRHURZIVGM-UHFFFAOYSA-P 2 0 523.637 5.223 1 30 KKEFRP C[NH2+]Cc1cc(O)cc2c1C[C@@H]1CCC[C@H](C1)[C@@]13C[C@@H]4CC[C@@H](CO)[C@@]([NH3+])([C@@H]4[C@@](C)(C4CCCCC4)O1)[C@@H]3C#CC2 ZINC000085543023 560071203 /nfs/dbraw/zinc/07/12/03/560071203.db2.gz RGDMNJYOLNVKTG-ATTXXWKRSA-N 2 0 560.823 5.480 1 30 biogenic,in-vitro KKEFRP C[NH+](C)CCCCCNC(=S)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCCCCC[NH+](C)C)c2ccccc12 ZINC000043397157 562648218 /nfs/dbraw/zinc/64/82/18/562648218.db2.gz BFLRUXAXNZCSJP-VJTPSNAYSA-N 2 0 606.910 5.053 1 30 KKEFRP CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC[NH3+])OC(=O)CCC[NH3+] ZINC000043938933 562651268 /nfs/dbraw/zinc/65/12/68/562651268.db2.gz DFFILCAAHKNODK-ZMXFDXOUSA-N 2 0 526.759 5.500 1 30 KKEFRP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)c4cccc(C#N)c4)C4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049605750 562666320 /nfs/dbraw/zinc/66/63/20/562666320.db2.gz JREILSJXTWEGLN-UHFFFAOYSA-N 2 0 697.905 6.663 1 30 KKEFRP C=C[C@@H]1C[N@H+]2CC[C@@]3(CNc4c3ccc(O)c4[C@H]3CCC[NH+]3C)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000058541817 562698971 /nfs/dbraw/zinc/69/89/71/562698971.db2.gz LLNJYWAPDLBDRC-DKNITUKRSA-N 2 0 551.779 5.819 1 30 KKEFRP CCCCCCCC/[NH+]=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000071297216 562717749 /nfs/dbraw/zinc/71/77/49/562717749.db2.gz JSBZIFRQNMYETA-FADJLKOXSA-N 2 0 522.693 7.736 1 30 KKEFRP COc1ccc(C[C@H](NC(=O)Nc2ccc3c(C[NH+]4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC2CCCCC2)cc1 ZINC000095541735 562756276 /nfs/dbraw/zinc/75/62/76/562756276.db2.gz IZYFVXZKRSFZGS-YDAXCOIMSA-N 2 0 796.005 5.401 1 30 KKEFRP CCOC(=O)[C@H]1CCC[N@H+](CC2CC[NH+](CC[C@H](/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000095558044 562762320 /nfs/dbraw/zinc/76/23/20/562762320.db2.gz DLNVCYVSPSXJST-MQCBUDDBSA-N 2 0 754.640 8.711 1 30 KKEFRP CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(OCC[NH+]4CCCCC4)cc3)c2OCC[NH+]2CCCCC2)O1 ZINC000095592959 562776078 /nfs/dbraw/zinc/77/60/78/562776078.db2.gz UUVJCWIIJYMVMA-MDJVKULHSA-N 2 0 612.855 8.223 1 30 KKEFRP COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCC[NH+]4CCOCC4)c(OC)c3)C2=O)ccc1OCCCC[NH+]1CCOCC1 ZINC000095593884 562776355 /nfs/dbraw/zinc/77/63/55/562776355.db2.gz YMKIFVYQCKXLGA-YESHOFFLSA-N 2 0 634.814 5.516 1 30 KKEFRP [NH2+]=C(NCCCCN(CCCNC(=[NH2+])Nc1ccc2ccccc2c1)C(=[NH2+])Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 ZINC000095604141 562780850 /nfs/dbraw/zinc/78/08/50/562780850.db2.gz JMGNWOLSYCKVPR-UHFFFAOYSA-N 3 0 649.847 8.028 1 30 KKEFRP CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CC[NH+]1CCC(N2CCC[C@@H](CC(=O)C3CC[NH+](C)CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095610022 562784156 /nfs/dbraw/zinc/78/41/56/562784156.db2.gz MMQQJJVJGAXMEE-MQZNELGCSA-N 2 0 781.653 7.553 1 30 KKEFRP CCCCCCCCn1c[n+](Cc2ccc(C[n+]3cn(CCCCCCCC)c4ccccc43)cc2)c2ccccc21 ZINC000098084359 562805666 /nfs/dbraw/zinc/80/56/66/562805666.db2.gz AUKLVANSACWJBE-UHFFFAOYSA-N 2 0 564.862 8.989 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccncc2)=CC1=O)Cc1ccncc1 ZINC000100068895 562806570 /nfs/dbraw/zinc/80/65/70/562806570.db2.gz PBZSJALBPJPRTC-UHFFFAOYSA-N 2 0 574.814 5.040 1 30 KKEFRP COc1ccc([N-][NH+]=C2C=C(C=Nc3ccc(S(=O)(=O)c4cccc(N=CC5=CC(=[NH+][N-]c6ccc(OC)cc6)C=C(OC)C5=O)c4)cc3)C(=O)C(OC)=C2)cc1 ZINC000150587960 562845965 /nfs/dbraw/zinc/84/59/65/562845965.db2.gz BZAGGRYZFZMALG-YKPSVTIPSA-N 2 0 784.851 10.297 1 30 KKEFRP CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(OCC[NH+]4CCCC4)cc3)c2OCC[NH+]2CCCC2)O1 ZINC000169335175 562859636 /nfs/dbraw/zinc/85/96/36/562859636.db2.gz BKVGILKPRMCFRL-UKTHLTGXSA-N 2 0 516.682 5.716 1 30 KKEFRP C[NH+]1C(C)(C)CC(Oc2cc(OC3CC(C)(C)[NH+](C)C(C)(C)C3)c(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)cc2C#N)CC1(C)C ZINC000169711968 562871210 /nfs/dbraw/zinc/87/12/10/562871210.db2.gz KKIONILKFAMLTA-UHFFFAOYSA-N 2 0 654.864 6.246 1 30 KKEFRP CC[NH+](CC)CCC/N=C(\c1ccccc1)N(CCC[NH+](CC)CC)c1ccnc2cc(Cl)ccc21 ZINC000299862462 562893592 /nfs/dbraw/zinc/89/35/92/562893592.db2.gz NAPOJRJUSLGAAP-KKYHWDRJSA-N 2 0 508.154 6.605 1 30 KKEFRP COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(=O)C[n+]4ccccc4)C[C@@H]4C[C@H](OC(=O)C[n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000473135752 562900820 /nfs/dbraw/zinc/90/08/20/562900820.db2.gz KIQFCSJUVIRKGV-BFUUANRESA-N 2 0 646.869 5.644 1 30 KKEFRP C[N@H+](Cc1ccccc1)Cc1ccc(/C=C2\Cc3ccc(OCCCCC[NH+]4CCN(c5ccccc5)CC4)cc3C2=O)cc1 ZINC000473248085 562905041 /nfs/dbraw/zinc/90/50/41/562905041.db2.gz LJRJTSOGRMZITN-KJFHWCLQSA-N 2 0 599.819 7.512 1 30 KKEFRP CCCC=CC(=O)CCc1cc(OC2CCCC2)c(O)c([C@@H]2[C@@H](COC)[C@@H](CCNC(N)=[NH2+])C=C3[C@@H](C[NH2+]C)C[C@H](C)C[C@H]32)c1 ZINC000085624983 565158273 /nfs/dbraw/zinc/15/82/73/565158273.db2.gz UHOVCSMJANWSHR-JESAVZRISA-N 2 0 622.895 6.019 1 30 biogenic,in-vitro KKEFRP C=CC[N+]12CC[C@]34c5ccccc5N5C=C6[C@H]7N(C=C([C@@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000169295762 717154997 /nfs/dbraw/zinc/15/49/97/717154997.db2.gz MUQUYTSLDVKIOF-SZTRLSNKSA-N 2 0 666.910 5.476 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@@+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000253634893 717166178 /nfs/dbraw/zinc/16/61/78/717166178.db2.gz VVZBCIOJHKFEKW-HQDQZMPWSA-N 2 0 666.910 5.668 1 30 KKEFRP C=CC[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@@H]7N(c8ccccc8[C@@]78CC[N@+]7(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]87)[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@H]6[C@@H]54 ZINC000253752273 717168386 /nfs/dbraw/zinc/16/83/86/717168386.db2.gz KPXQYLXOSUNABC-AUGQTHEISA-N 2 0 666.910 5.572 1 30 KKEFRP CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]4C[C@H]([N+]5(C)CCCCC5)C(=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1[NH+]1CCCCC1 ZINC000256370158 717176813 /nfs/dbraw/zinc/17/68/13/717176813.db2.gz BANAKMCCUGWTBY-ABXKQEHESA-N 2 0 513.787 5.603 2 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)[C@H](CCO)C2)c1ccccc1[C@@]71CC[N@+]2(CC=C)C[C@@H](CC)[C@@H]6C[C@@H]12 ZINC000299822340 717180815 /nfs/dbraw/zinc/18/08/15/717180815.db2.gz IEFISMAATDYLFR-VOTOWDIPSA-N 2 0 654.943 6.663 1 30 KKEFRP CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cccc(O)c4)NC(=[NH2+])NC)[C@@H]4C=c5ccc(C[NH2+]C)cc5=C[C@H]34)s2)s1 ZINC000085592328 291898602 /nfs/dbraw/zinc/89/86/02/291898602.db2.gz AYEHWYIBATVAPX-AALIFHQRSA-N 2 0 648.898 5.344 1 30 biogenic,in-vitro KKEFRP COc1ccccc1C[NH+]1CCC([C@@H]2c3ccc(-c4cccc(C#N)c4)cc3CC[N@H+]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000003987161 561692970 /nfs/dbraw/zinc/69/29/70/561692970.db2.gz KVIOSCVDMHFZSC-DIPNUNPCSA-N 2 0 639.627 7.991 1 30 KKEFRP C[NH2+][C@@H]1CCN(C(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)=[NH+]C2CCCCC2)C1 ZINC000013581492 561720213 /nfs/dbraw/zinc/72/02/13/561720213.db2.gz VMEVITMYQPTNSR-XMMPIXPASA-N 2 0 516.517 5.169 1 30 KKEFRP CC[NH+](CC)CCCC/[NH+]=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027089219 561836921 /nfs/dbraw/zinc/83/69/21/561836921.db2.gz VFZOUWDEBIUBHR-AXQQZXIPSA-N 2 0 534.022 6.552 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCC[NH+]1CCCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2 ZINC000027089582 561836935 /nfs/dbraw/zinc/83/69/35/561836935.db2.gz BOZCQXZOPVZRKG-GOTVHDSGSA-N 2 0 517.979 5.916 1 30 KKEFRP CC[NH+](CC)CCC/[NH+]=C1\C[C@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091637 561837315 /nfs/dbraw/zinc/83/73/15/561837315.db2.gz NYBNZKGSJNJGFT-YMZTYVNRSA-N 2 0 542.076 5.169 1 30 KKEFRP CC[NH+](CC)CC(=O)Nc1nc2c(s1)c(Cl)c1sc(NC(=O)C[NH+](CC)CC)nc1c2-c1ccccc1 ZINC000027182944 561841969 /nfs/dbraw/zinc/84/19/69/561841969.db2.gz QOLFIIGYJFUWMX-UHFFFAOYSA-N 2 0 559.161 7.086 1 30 KKEFRP CC[NH+](CC)CC(=O)Nc1nc2c(s1)c(Cl)c1sc(NC(=O)C[NH+](CC)CC)nc1c2C(F)(F)F ZINC000027186278 561842721 /nfs/dbraw/zinc/84/27/21/561842721.db2.gz YKYXIHNMMAXZQI-UHFFFAOYSA-N 2 0 551.060 6.438 1 30 KKEFRP C(#Cc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)C[NH+]1CCCC1 ZINC000027205588 561845853 /nfs/dbraw/zinc/84/58/53/561845853.db2.gz KQYBFRRIUIWZJW-UHFFFAOYSA-N 2 0 520.742 7.081 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027550036 561867752 /nfs/dbraw/zinc/86/77/52/561867752.db2.gz WCYNXQRFYZBERD-STDMRBIISA-N 2 0 684.549 7.768 1 30 KKEFRP C=CC[N@@H+](CCCNc1c2ccccc2[nH+]c2ccccc21)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000028116375 561903748 /nfs/dbraw/zinc/90/37/48/561903748.db2.gz FHSBQSAFCXMGMH-UHFFFAOYSA-N 3 0 529.732 7.607 1 30 KKEFRP C[C@](CC[NH+]1CCC(c2ccccc2)CC1)(C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000034804216 562043093 /nfs/dbraw/zinc/04/30/93/562043093.db2.gz NFRGQOJVDATPMM-LJAQVGFWSA-N 2 0 566.605 8.181 1 30 KKEFRP CCCCCCCC[NH+]=c1ccn(CCCCCCCn2ccc(=[NH+]CCCCCCCC)cc2)cc1 ZINC000043706112 562650820 /nfs/dbraw/zinc/65/08/20/562650820.db2.gz LSCRQUSURBUWFV-UHFFFAOYSA-N 2 0 508.839 8.463 1 30 KKEFRP CC(C)[P+](Cc1ccc(C(=O)c2ccc(C[P+](C(C)C)(C(C)C)C(C)C)cc2)cc1)(C(C)C)C(C)C ZINC000045356048 562661924 /nfs/dbraw/zinc/66/19/24/562661924.db2.gz ZGYSBCYDJHORMF-UHFFFAOYSA-N 2 0 528.742 10.403 1 30 KKEFRP COc1cccc(/C=C2/CC[N@H+]3[C@@H]4[C@@]5(C[C@@H]3CCC2=O)C[NH+]2CC[C@H]5C(c3nccc5c6cccc(O)c6[nH]c53)=C[C@@]4(O)CC/C=C\CCCC2)c1 ZINC000049757258 562675769 /nfs/dbraw/zinc/67/57/69/562675769.db2.gz UWDQWPUNSFOJTG-GMQHPUEGSA-N 2 0 698.908 7.667 1 30 KKEFRP COc1ccc2c(c1OCCCCCOc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000082178719 562741779 /nfs/dbraw/zinc/74/17/79/562741779.db2.gz FRLZLQBIKJNINF-IRKKXWSFSA-N 2 0 726.911 5.567 1 30 KKEFRP COc1ccc2c(c1OCCCCCCCOc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000095550020 562759920 /nfs/dbraw/zinc/75/99/20/562759920.db2.gz MGAKKJOXVXCWGS-QWOVNLMKSA-N 2 0 754.965 6.347 1 30 KKEFRP COc1ccc2c(c1OC(=O)CCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000095550200 562759982 /nfs/dbraw/zinc/75/99/82/562759982.db2.gz DXYHFTJNRUUOSG-WKKPYYBCSA-N 2 0 768.904 5.010 1 30 KKEFRP COc1ccc2c(c1OCc1ccc(COc3c(OC)ccc4c3[C@@]35CC[N@H+](C)[C@@H](C4)[C@H]3C=C(OC)C(=O)C5)cc1)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000095550252 562760056 /nfs/dbraw/zinc/76/00/56/562760056.db2.gz NULTWVHGWKZDNG-KBNPVKTLSA-N 2 0 760.928 6.096 1 30 KKEFRP CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CC[NH+]1CCC(N2CCC[C@@H](CC(=O)C3CC[NH+](C)CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095610024 562784145 /nfs/dbraw/zinc/78/41/45/562784145.db2.gz MMQQJJVJGAXMEE-FLYCETAFSA-N 2 0 781.653 7.553 1 30 KKEFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4)c4ccccc34)cc2)c1 ZINC000095891050 562790230 /nfs/dbraw/zinc/79/02/30/562790230.db2.gz VRGNFANITWFZQB-UHFFFAOYSA-P 2 0 636.712 5.882 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2cccnc2)=CC1=O)Cc1cccnc1 ZINC000100068890 562806544 /nfs/dbraw/zinc/80/65/44/562806544.db2.gz VKEXSSDEPPNXTH-UHFFFAOYSA-N 2 0 574.814 5.040 1 30 KKEFRP CCCCn1cc[n+](Cc2ccc(O)c(/C=N/[C@@H]3CCCC[C@H]3/N=C/c3cc(C[n+]4ccn(CCCC)c4)ccc3O)c2)c1 ZINC000103238962 562819290 /nfs/dbraw/zinc/81/92/90/562819290.db2.gz CVFBSWGHCKTXIK-KKLWWLSJSA-P 2 0 596.820 5.822 1 30 KKEFRP CCCCCCCCOc1c(OC)cc(N[C@@H](C)CCC[NH2+][C@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000169321346 562856644 /nfs/dbraw/zinc/85/66/44/562856644.db2.gz SEKGOJOWVNAQCB-RPWUZVMVSA-N 2 0 500.772 6.843 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)[C@H](CC)C2)c1ccccc1[C@@]71CC[N@+]2(CC=C)C[C@@H](CC)[C@@H]6C[C@@H]12 ZINC000299829730 562884960 /nfs/dbraw/zinc/88/49/60/562884960.db2.gz VEBXTZDIMGDKGV-VOTOWDIPSA-N 2 0 638.944 7.691 1 30 KKEFRP CN1CCCN(S(=O)(=O)c2ccc(C3C=C4C(=Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)NC=N[C@H]4S3)cc2)CC1 ZINC000474602258 562905203 /nfs/dbraw/zinc/90/52/03/562905203.db2.gz AVLCUFPPWRWCMG-HVNZXBJASA-N 2 0 640.206 5.776 1 30 KKEFRP NC(=[NH2+])NCC(=CC(=O)[O-])[C@@H](C[C@H]1CCc2cc3ccccc3cc2[C@@H]1CCC[C@H]([NH3+])CCCCCCO)NC1=[NH+]CC=C1 ZINC000085510045 565133945 /nfs/dbraw/zinc/13/39/45/565133945.db2.gz LPTRVYFDOGUJPA-AYCHMRPRSA-N 2 0 601.816 5.195 1 30 biogenic,in-vitro KKEFRP CCCCC[C@H](C=CC(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=[NH2+])NC)c(O)c(O[C@]2(C[NH2+]C)CC[C@H](CCOC)C2)c1 ZINC000085597005 565156699 /nfs/dbraw/zinc/15/66/99/565156699.db2.gz LRDNRZSVAQJRPV-BSHKAOBJSA-N 2 0 652.877 6.343 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@H](CCCCCC(=O)C=C(O)C=Cc1cc(OC)c(O)cc1Cc1c[nH+]c(N)cc1CCc1ccccc1)CCCC(C)C ZINC000085630593 565162994 /nfs/dbraw/zinc/16/29/94/565162994.db2.gz RVCPOBIGJZEFTH-UKVQCBHUSA-N 2 0 641.897 7.908 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@H](CCCCCC(=O)C=C(O)C=Cc1cc(OC)c(O)cc1Cc1c[nH+]c(N)cc1CCc1ccccc1)CCc1ccccc1 ZINC000085630586 565163143 /nfs/dbraw/zinc/16/31/43/565163143.db2.gz DWXJTBGQIPXJBR-UNMXYYQHSA-N 2 0 661.887 7.714 1 30 biogenic,in-vitro KKEFRP C=CC[N+]12CC[C@]34c5cc(C)c(C)cc5N5[C@@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3cc(C)c(C)cc3[C@@]34CC[N+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000096900309 717141522 /nfs/dbraw/zinc/14/15/22/717141522.db2.gz XEKPGPYLNRITOA-FUPNAKRLSA-N 2 0 723.018 6.902 1 30 KKEFRP C[NH2+]CCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)[NH3+])cc3)c2)c1 ZINC000085629986 291951375 /nfs/dbraw/zinc/95/13/75/291951375.db2.gz DUAPPTQHSXCESW-SOFGYWHQSA-N 2 0 559.751 5.454 1 30 biogenic,in-vitro KKEFRP CNC(=[NH2+])Nc1cc(CCC=CC(=O)C2(Cc3ccc(O)c(OC)c3)CCCC2)cc(O[C@]2(C[NH2+]C)CC[C@H](CCOC)C2)c1O ZINC000085596997 291953625 /nfs/dbraw/zinc/95/36/25/291953625.db2.gz KPSLSNRPORXAQG-BTRYIXSISA-N 2 0 636.834 5.707 1 30 biogenic,in-vitro KKEFRP C[N+](C)(CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)C[C@H]3CCCCO3)cc2)cc1)C[C@H]1CCCCO1 ZINC000013649939 561722783 /nfs/dbraw/zinc/72/27/83/561722783.db2.gz GRGPUVVVCRDZSY-LOYHVIPDSA-N 2 0 522.730 5.010 1 30 KKEFRP C=CCNc1nc(NCC2CC[NH+](CC3c4ccccc4CCc4ccccc43)CC2)nc(NCC=C)[nH+]1 ZINC000013650773 561722972 /nfs/dbraw/zinc/72/29/72/561722972.db2.gz MDUQQCALHQWYHR-UHFFFAOYSA-N 2 0 509.702 5.122 1 30 KKEFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(C#N)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000013802268 561730743 /nfs/dbraw/zinc/73/07/43/561730743.db2.gz FCYFDSIYOJMHFF-LJAQVGFWSA-N 2 0 534.651 5.915 1 30 KKEFRP O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H](Cc1ccc2ccccc2c1)NC(NC1CCCCC1)=[NH+]C1CCCCC1 ZINC000013832716 561733725 /nfs/dbraw/zinc/73/37/25/561733725.db2.gz DQUWHEDLZKSAKF-CONSDPRKSA-N 2 0 529.773 5.162 1 30 KKEFRP C[NH+](C)Cc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c3)cc2)cc(C[NH+](C)C)c1[O-] ZINC000025976931 561763650 /nfs/dbraw/zinc/76/36/50/561763650.db2.gz HDGRMURIUMVBCK-WXUKJITCSA-N 2 0 598.788 5.136 1 30 KKEFRP COc1ccc([C@@](C#N)(CCCCC[N@@H+]2CCc3cc(OC)c(OCC[NH+](C)C)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026269334 561776830 /nfs/dbraw/zinc/77/68/30/561776830.db2.gz PVITUUCIOROYKQ-BHVANESWSA-N 2 0 617.856 7.091 1 30 KKEFRP CC[NH+](CC)CCC/[NH+]=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091995 561837451 /nfs/dbraw/zinc/83/74/51/561837451.db2.gz UHPRXWKJDLMRRN-GOTVHDSGSA-N 2 0 519.995 6.162 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027550492 561867899 /nfs/dbraw/zinc/86/78/99/561867899.db2.gz VHRZZRMHNFWXJO-GJADYBSRSA-N 2 0 712.603 8.283 1 30 KKEFRP C[N+](C)(CCS)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCS)cc3)cc2)cc1 ZINC000027630068 561873685 /nfs/dbraw/zinc/87/36/85/561873685.db2.gz YURNWUWLJUNYDB-UHFFFAOYSA-P 2 0 522.780 5.398 1 30 KKEFRP CN(C/C(=N\OCCC[N+](C)(C)C)[C@@H](CC[NH+]1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000027884318 561889289 /nfs/dbraw/zinc/88/92/89/561889289.db2.gz HLBLLGYOMVQROQ-LCFGYNNLSA-N 2 0 728.613 7.492 1 30 KKEFRP O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(NC(=[NH+]C2CCCCC2)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000028458965 561924656 /nfs/dbraw/zinc/92/46/56/561924656.db2.gz XLMHZNWBXAHDDE-UHFFFAOYSA-N 2 0 570.609 6.627 1 30 KKEFRP C(#Cc1cc(C#CCCC[n+]2cccc3ccccc32)cc(C#CCCC[n+]2cccc3ccccc32)c1)CCC[n+]1cccc2ccccc21 ZINC000028861857 561971817 /nfs/dbraw/zinc/97/18/17/561971817.db2.gz RWOZRMRIIUHKTR-UHFFFAOYSA-N 3 0 660.885 8.504 1 30 KKEFRP Clc1cccc(Cl)c1CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000029224150 562007708 /nfs/dbraw/zinc/00/77/08/562007708.db2.gz RAHLDBGBLYIYDN-WKCPDWHCSA-N 2 0 604.365 7.067 1 30 in-vitro KKEFRP CSCC[C@H](NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CC[NH+](CCCC[n+]2c3ccccc3sc3cc(=NN=N)ccc2-3)CC1 ZINC000029493242 562029385 /nfs/dbraw/zinc/02/93/85/562029385.db2.gz BSQFXUZPQUWGGO-XIFFEERXSA-N 2 0 733.964 7.867 1 30 KKEFRP CNC(=[NH2+])Nc1cc(C[C@H](C=CC(=O)CCc2ccc(O)c(OC)c2)C(C)C)cc(OC2(C[NH2+]C)CCCC2)c1O ZINC000085597046 560063249 /nfs/dbraw/zinc/06/32/49/560063249.db2.gz LVRQTENWUMMBHB-YKATVRGKSA-N 2 0 566.743 5.156 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@H](C)CCCCCC(=O)C=C(O)C=Cc1cc(OCO)c(O)cc1Cc1c[nH+]c(N)cc1CCc1ccccc1 ZINC000085630570 560068193 /nfs/dbraw/zinc/06/81/93/560068193.db2.gz MIEGDWYQUQINIS-KVACCUTFSA-N 2 0 587.761 5.422 1 30 biogenic,in-vitro KKEFRP Cc1ccc(NC(=O)c2cc[n+](CCCCCCCCCC[n+]3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)cc1 ZINC000044308180 562654222 /nfs/dbraw/zinc/65/42/22/562654222.db2.gz NLQMCFXUYRPRFM-UHFFFAOYSA-P 2 0 564.774 7.972 1 30 KKEFRP C[N@H+](Cc1ccccc1)Cc1ccc(/C=C2\CCc3cc(OCCCCC[NH+]4CCCCC4)ccc3C2=O)cc1 ZINC000045368110 562662158 /nfs/dbraw/zinc/66/21/58/562662158.db2.gz YEUHJVFRRWHHMS-INKHBPHZSA-N 2 0 536.760 7.566 1 30 KKEFRP C[N@H+](Cc1ccccc1)Cc1ccc(/C=C2\Cc3ccc(OCCCCC[NH+]4CCCCC4)cc3C2=O)cc1 ZINC000045385120 562662314 /nfs/dbraw/zinc/66/23/14/562662314.db2.gz MUBGEWUJBWWEGW-AWSUPERCSA-N 2 0 522.733 7.176 1 30 KKEFRP C=C(C)C(=O)Oc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000049615958 562666745 /nfs/dbraw/zinc/66/67/45/562666745.db2.gz GDYIRJLGRNXUAE-AJQTZOPKSA-N 2 0 676.810 7.635 1 30 KKEFRP COc1ccc(/C=C2/CC[N@H+]3[C@@H]4[C@@]5(C[C@@H]3CCC2=O)C[NH+]2CC[C@H]5C(c3nccc5c6cccc(O)c6[nH]c53)=C[C@@]4(O)CC/C=C\CCCC2)cc1 ZINC000049722576 562672230 /nfs/dbraw/zinc/67/22/30/562672230.db2.gz KANITSPDRKASSC-BIVSZMAXSA-N 2 0 698.908 7.667 1 30 KKEFRP CCCCCCC[N@@H+]1CC[C@@H](CCCc2ccnc3ccc(OCCC4CC[NH2+]CC4)cc23)[C@@H](CC)C1 ZINC000055780051 562697765 /nfs/dbraw/zinc/69/77/65/562697765.db2.gz AVBPCGJZVLJGHU-URLMMPGGSA-N 2 0 507.807 7.645 1 30 KKEFRP C[NH+](C)CCCO/N=C1\c2cc(O)ccc2-c2c1c1ccccc1nc2-c1ccc(OCCC[NH+](C)C)cc1 ZINC000082156559 562740730 /nfs/dbraw/zinc/74/07/30/562740730.db2.gz QBNFTXQCGPTBDX-NWBJSICCSA-N 2 0 524.665 5.639 1 30 KKEFRP Oc1ccc2c(c1)/C(=N\OCC[NH+]1CCCC1)c1c-2c(-c2ccc(OCC[NH+]3CCCC3)cc2)nc2ccc(F)cc12 ZINC000082157244 562740841 /nfs/dbraw/zinc/74/08/41/562740841.db2.gz BERAVPSWAIXHAX-NFSLGCCLSA-N 2 0 566.677 6.066 1 30 KKEFRP C#CC[N@@H+](C)[C@H](C)Cc1ccc(OCCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095590990 562775420 /nfs/dbraw/zinc/77/54/20/562775420.db2.gz WQOUNYVRWYXXHY-GDLZYMKVSA-N 2 0 539.808 8.221 1 30 KKEFRP CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CC[NH+]1CCC(N2CCC[C@H](CC(=O)C3CC[NH+](C)CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095610023 562784151 /nfs/dbraw/zinc/78/41/51/562784151.db2.gz MMQQJJVJGAXMEE-GIKYOFGOSA-N 2 0 781.653 7.553 1 30 KKEFRP CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CC[NH+]1CCC(N2CCC[C@@H](CC(=O)[S+]3CC[NH2+]CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095614804 562786885 /nfs/dbraw/zinc/78/68/85/562786885.db2.gz QOBSQVPUXRQIEE-SWMKWZHBSA-N 3 0 786.674 6.390 1 30 KKEFRP O=C(Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)cc1)[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000096928510 562802903 /nfs/dbraw/zinc/80/29/03/562802903.db2.gz OOHIZQLFUCPKJA-IYTFMMMVSA-N 2 0 776.982 6.620 1 30 KKEFRP Fc1ccc(C2CC[NH+]([C@H]3CC[C@@](C[NH2+]Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(c4ccccc4)CC3)CC2)cc1 ZINC000103022636 562814049 /nfs/dbraw/zinc/81/40/49/562814049.db2.gz OEIBCTIWBPBZIV-QRRGNZNSSA-N 2 0 592.643 8.713 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccc2[N+](=O)[O-])=CC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000150568796 562845032 /nfs/dbraw/zinc/84/50/32/562845032.db2.gz YKPZRVJZMVTFRH-UHFFFAOYSA-N 2 0 662.832 6.067 1 30 KKEFRP C=CC[N@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)[C@H](CC)C2)c1ccccc1[C@@]71CC[N@+]2(CC=C)C[C@@H](CC)[C@@H]6C[C@@H]12 ZINC000299829722 562884978 /nfs/dbraw/zinc/88/49/78/562884978.db2.gz VEBXTZDIMGDKGV-FAXUPOMGSA-N 2 0 638.944 7.691 1 30 KKEFRP C(#Cc1ccc(Cn2c[n+](Cc3cccc(Cn4c[n+](Cc5ccc(C#Cc6ccccc6)cc5)c5ccccc54)n3)c3ccccc32)cc1)c1ccccc1 ZINC000299844711 562889377 /nfs/dbraw/zinc/88/93/77/562889377.db2.gz UUYHNRXPWKBKBR-UHFFFAOYSA-N 2 0 721.908 8.559 1 30 KKEFRP CN1CCCN(S(=O)(=O)c2ccc(C3C=C4C(=Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)NC=N[C@H]4S3)cc2)CC1 ZINC000474602270 562905207 /nfs/dbraw/zinc/90/52/07/562905207.db2.gz AVLCUFPPWRWCMG-NEEKEDPPSA-N 2 0 640.206 5.776 1 30 KKEFRP C[NH2+]C[C@H](CCCCCC(=O)C=C(O)C=Cc1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1)C1CC[NH2+]CC1 ZINC000085630513 565162869 /nfs/dbraw/zinc/16/28/69/565162869.db2.gz LAZLREASRNAUMA-OWXWMANNSA-N 2 0 654.896 6.504 1 30 biogenic,in-vitro KKEFRP C=CC[N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000253634892 717166371 /nfs/dbraw/zinc/16/63/71/717166371.db2.gz VVZBCIOJHKFEKW-CHSMVWFASA-N 2 0 666.910 5.668 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C/CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000263591618 717179777 /nfs/dbraw/zinc/17/97/77/717179777.db2.gz MUQUYTSLDVKIOF-ZQTCWRROSA-N 2 0 666.910 5.476 3 30 KKEFRP CCCCCC[NH2+]COc1c2cc(c3c1OC[C@H](CCNC(=[NH2+])NCC(C)C)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626566 517554706 /nfs/dbraw/zinc/55/47/06/517554706.db2.gz RNDCCKXLOWVUCC-LHXZUMEBSA-N 2 0 690.926 5.202 1 30 biogenic,in-vitro KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCN(CC(=O)N2CC[C@H]([NH+](C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026388069 561784871 /nfs/dbraw/zinc/78/48/71/561784871.db2.gz ZCXLYGVZLHNYBD-AZEYWRTOSA-N 2 0 740.617 6.504 1 30 KKEFRP C[NH+]1CCN(CCC/[NH+]=C2\C[C@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1 ZINC000027085595 561836160 /nfs/dbraw/zinc/83/61/60/561836160.db2.gz VTIRVLPRRQASCS-LNQVIWEKSA-N 2 0 547.914 5.356 1 30 KKEFRP C[NH+](C)CCCCCCC/[NH+]=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027088665 561836772 /nfs/dbraw/zinc/83/67/72/561836772.db2.gz GHIHULPHFUWEAO-DXUILHJWSA-N 2 0 548.942 7.230 1 30 KKEFRP CC[NH+](CC)CCC/[NH+]=C1\C[C@@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091632 561837233 /nfs/dbraw/zinc/83/72/33/561837233.db2.gz NYBNZKGSJNJGFT-DHGRQILESA-N 2 0 542.076 5.169 1 30 KKEFRP C[NH+](CC(=O)Nc1nc2cc3nc(NC(=O)C[N@@H+](C)C4CCCC4)sc3cc2s1)C1CCCC1 ZINC000027110040 561841375 /nfs/dbraw/zinc/84/13/75/561841375.db2.gz YLLXYNCHXDXKTM-UHFFFAOYSA-N 2 0 500.694 5.831 1 30 KKEFRP CC[NH+](CC)CCC[C@@H](C)/[NH+]=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083748 561835644 /nfs/dbraw/zinc/83/56/44/561835644.db2.gz BHAUGLNZCIYVCK-PYHFJBIKSA-N 2 0 548.942 7.229 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027552799 561868433 /nfs/dbraw/zinc/86/84/33/561868433.db2.gz UFUOAMPDHLOAIL-ZNLXRFIGSA-N 2 0 725.602 7.633 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[NH2+]C2(CO)CCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027555660 561869451 /nfs/dbraw/zinc/86/94/51/561869451.db2.gz DBLIVDPSCFDYOT-ICYJQEQESA-N 2 0 712.603 8.331 1 30 KKEFRP Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(NC(NCc6ccccc6)=[NH+]CC6CC6)cc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000027635249 561874284 /nfs/dbraw/zinc/87/42/84/561874284.db2.gz VYGKEOJOVOFPGO-DAZROVDTSA-N 2 0 615.778 5.540 1 30 KKEFRP C=CC[NH+]1CCC(CCCn2c(COc3ccccc3)nc3c2cccc3OCCC[NH+]2CCCCC2)CC1 ZINC000027711386 561879771 /nfs/dbraw/zinc/87/97/71/561879771.db2.gz BORZPXOQYANRKH-UHFFFAOYSA-N 2 0 530.757 6.548 1 30 KKEFRP C[NH+](C)CCO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027897257 561890415 /nfs/dbraw/zinc/89/04/15/561890415.db2.gz RNRVUYGVIOJTMN-IZTMMPSKSA-N 2 0 734.609 8.639 1 30 KKEFRP C(#Cc1cc(C#CCCC[n+]2ccc3ccccc3c2)cc(C#CCCC[n+]2ccc3ccccc3c2)c1)CCC[n+]1ccc2ccccc2c1 ZINC000028861859 561971845 /nfs/dbraw/zinc/97/18/45/561971845.db2.gz QEDBJZRLCBTJRZ-UHFFFAOYSA-N 3 0 660.885 8.504 1 30 KKEFRP [NH3+]Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(NC2CCCCC2)=[NH+]C2CCCCC2)cc1 ZINC000029553881 562031676 /nfs/dbraw/zinc/03/16/76/562031676.db2.gz ONUKBEDPKJLRPQ-HKBQPEDESA-N 2 0 525.741 6.049 1 30 KKEFRP [NH3+]Cc1ccc(NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(NC2CCCCC2)=[NH+]C2CCCCC2)cc1 ZINC000029562142 562033507 /nfs/dbraw/zinc/03/35/07/562033507.db2.gz ONUKBEDPKJLRPQ-WJOKGBTCSA-N 2 0 525.741 6.049 1 30 KKEFRP CCCCCCCNc1c2ccc(NC(=O)CC[NH+]3CCCC3)cc2[nH+]c2cc(NC(=O)CC[NH+]3CCCC3)ccc21 ZINC000038156956 562068481 /nfs/dbraw/zinc/06/84/81/562068481.db2.gz FYJJHYDYJBEYRM-UHFFFAOYSA-N 3 0 572.798 6.619 1 30 KKEFRP CCCCCCCNC(=[NH2+])c1ccc(N2CCN(c3ccc(C(=[NH2+])NCCCCCCC)cc3)CC2)cc1 ZINC000043119878 562646065 /nfs/dbraw/zinc/64/60/65/562646065.db2.gz OMRONSLWUTWWBP-UHFFFAOYSA-N 2 0 518.794 6.784 1 30 KKEFRP CCC[P+](CCC)(CCC)Cc1ccc(-c2ccc(C[P+](CCC)(CCC)CCC)cc2)cc1 ZINC000043871872 562651094 /nfs/dbraw/zinc/65/10/94/562651094.db2.gz MVHLIPOKFPNJJS-UHFFFAOYSA-N 2 0 500.732 10.849 1 30 KKEFRP CC[P+](CC)(Cc1ccc(C(=O)c2ccc(C[P+](CC)(CC)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000045366684 562662099 /nfs/dbraw/zinc/66/20/99/562662099.db2.gz ZWKPBWHVSAQWBI-UHFFFAOYSA-N 2 0 540.668 8.683 1 30 KKEFRP [NH3+]CCCCCCC[NH2+]CCCCCCCNC(=O)c1cc(CCC(=O)NO)c(CCC(O)(c2ccccc2)c2ccccc2)[nH]1 ZINC000049746217 562674319 /nfs/dbraw/zinc/67/43/19/562674319.db2.gz LZMQBRWLXTUHPE-UHFFFAOYSA-N 2 0 633.878 5.501 1 30 KKEFRP CC[NH+](CC)CCOC(=O)c1ccc(/N=C2\c3ccoc3/C(=N\c3ccc(C(=O)OCC[NH+](CC)CC)cc3)c3ccccc32)cc1 ZINC000053243569 562696802 /nfs/dbraw/zinc/69/68/02/562696802.db2.gz PEZSHDYRYOUEAU-JWSQUJGESA-N 2 0 634.777 6.928 1 30 KKEFRP CCCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000071316372 562717916 /nfs/dbraw/zinc/71/79/16/562717916.db2.gz VSLJYFKWLKJYHN-UHFFFAOYSA-N 2 0 524.709 7.407 1 30 KKEFRP CCCCCCCC[n+]1cnn(CC(O)(Cn2c[n+](CCCCCCCC)cn2)c2ccc(F)cc2F)c1 ZINC000072105982 562720863 /nfs/dbraw/zinc/72/08/63/562720863.db2.gz LYSWRQZMJSIUMB-UHFFFAOYSA-N 2 0 532.724 5.242 1 30 KKEFRP CCCCCCCC[NH+](CCCCCCCC)Cc1cc(Nc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)ccc1O ZINC000072116766 562723188 /nfs/dbraw/zinc/72/31/88/562723188.db2.gz HFEJZECCHCCTPU-UHFFFAOYSA-N 2 0 604.279 11.022 1 30 KKEFRP Oc1ccc2c(c1)/C(=N\OCC[NH+]1CCCC1)c1c-2c(-c2ccc(OCC[NH+]3CCCC3)cc2)nc2ccccc12 ZINC000082157238 562740851 /nfs/dbraw/zinc/74/08/51/562740851.db2.gz ZOFBMPSFUVPEAG-JMUUFCRMSA-N 2 0 548.687 5.927 1 30 KKEFRP COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCC[NH+]4CCCCC4)c(OC)c3)C2=O)ccc1OCCCC[NH+]1CCCCC1 ZINC000095593549 562776268 /nfs/dbraw/zinc/77/62/68/562776268.db2.gz SXINHPOBFKAGEJ-SWMYPXFDSA-N 2 0 630.870 7.824 1 30 KKEFRP NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C[NH2+]Cc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000095596441 562776968 /nfs/dbraw/zinc/77/69/68/562776968.db2.gz OMCRIJQOIAKPRU-UHFFFAOYSA-N 2 0 732.760 7.196 1 30 KKEFRP C[C@@H]1/C(=N\CCC[NH+](C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102156786 562812774 /nfs/dbraw/zinc/81/27/74/562812774.db2.gz NPPMHUYHRRXJOP-VSEHCWNKSA-N 2 0 505.968 5.628 1 30 KKEFRP O=C1C=C(NCCCNc2c3ccccc3[nH+]c3c2CCCC3)C(=O)C=C1NCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000102255433 562813026 /nfs/dbraw/zinc/81/30/26/562813026.db2.gz NRGNVDYZXZCXMM-UHFFFAOYSA-N 2 0 614.794 5.944 1 30 KKEFRP C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C[N@H+](C)CCC[C@@]3(c4ccc(F)cc4)OCc4cc(C#N)ccc43)ccc21 ZINC000103245758 562819817 /nfs/dbraw/zinc/81/98/17/562819817.db2.gz PVWATSQEKUHFAQ-YDAXCOIMSA-N 2 0 621.772 7.638 1 30 KKEFRP C[N+](C)(CCCC[N+](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150615319 562848793 /nfs/dbraw/zinc/84/87/93/562848793.db2.gz HREXKHQOYIFHQG-UHFFFAOYSA-N 2 0 838.450 10.177 1 30 KKEFRP CCCCCCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000169321345 562856628 /nfs/dbraw/zinc/85/66/28/562856628.db2.gz SEKGOJOWVNAQCB-BJKOFHAPSA-N 2 0 500.772 6.843 1 30 KKEFRP CCCCCCCN1C(=[NH2+])N(CCCC[C@H]2C[NH+]=C(N)N2CCc2cccc(C(F)(F)F)c2)C[C@H]1Cc1cccc2ccccc21 ZINC000299858727 562892544 /nfs/dbraw/zinc/89/25/44/562892544.db2.gz GSPZXKMQNZKHKN-JHOUSYSJSA-N 2 0 634.835 7.914 1 30 KKEFRP CCCCCCCCCCCCN1C(=O)c2cccc3c(NCCN4CCC[NH2+]CCNCCC[NH2+]CC4)ccc(c32)C1=O ZINC000474605102 562905264 /nfs/dbraw/zinc/90/52/64/562905264.db2.gz FVIKOIVOIFAZRT-UHFFFAOYSA-N 2 0 606.900 5.633 1 30 KKEFRP C[NH2+]Cc1c(C)cc(C)cc1Cc1cc(Cc2cc(O)c(OC)cc2C=CC(O)=CC(=O)CCCCC[C@@H](C)C[NH2+]C)cnc1N ZINC000085630535 565162934 /nfs/dbraw/zinc/16/29/34/565162934.db2.gz NURJRSRSIWGUCK-ZOGNMOHXSA-N 2 0 628.858 6.243 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@H](C)CC1(CCCC(=O)C=C(O)C=Cc2cc(OC)c(O)cc2Cc2c[nH+]c(N)cc2CCc2ccccc2)CCCC1 ZINC000085630565 565163058 /nfs/dbraw/zinc/16/30/58/565163058.db2.gz YMZGNKVNBYVAKT-VFAHUECZSA-N 2 0 625.854 7.272 1 30 biogenic,in-vitro KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7N(C=C([C@@H]53)[C@@H](C[C@@H]41)/C(=C/CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000263591616 717179783 /nfs/dbraw/zinc/17/97/83/717179783.db2.gz MUQUYTSLDVKIOF-GLHAXFIRSA-N 2 0 666.910 5.476 3 30 KKEFRP C[C@@H]1CN(C(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)=[NH+]C2CCCCC2)C[C@H](C)[NH2+]1 ZINC000013581452 561720072 /nfs/dbraw/zinc/72/00/72/561720072.db2.gz QDDPPGFVMRPNTQ-BGYRXZFFSA-N 2 0 530.544 5.749 1 30 KKEFRP [NH3+]C1CCN(C(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)=[NH+]C2CCCCC2)CC1 ZINC000013581497 561720151 /nfs/dbraw/zinc/72/01/51/561720151.db2.gz BVEADRMJYJGDGL-UHFFFAOYSA-N 2 0 516.517 5.490 1 30 KKEFRP O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H](Cc1ccc2ccccc2c1)NC(NC1CCCCC1)=[NH+]C1CCCCC1 ZINC000013832715 561733713 /nfs/dbraw/zinc/73/37/13/561733713.db2.gz DQUWHEDLZKSAKF-IOWSJCHKSA-N 2 0 529.773 5.162 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCN(CC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026388061 561784896 /nfs/dbraw/zinc/78/48/96/561784896.db2.gz ZCXLYGVZLHNYBD-AOFYLMAESA-N 2 0 740.617 6.504 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCCC[NH+]3CCC(c4ccccc4)CC3)NC#N)c2)C1C(=O)OC ZINC000027082571 561835405 /nfs/dbraw/zinc/83/54/05/561835405.db2.gz KERVGYRIIAQCCZ-RFRSNRLQSA-N 2 0 584.721 5.216 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCCC[NH+]1CCCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2 ZINC000027084502 561835934 /nfs/dbraw/zinc/83/59/34/561835934.db2.gz RDGWYURKEMCOHW-QCGNYOPOSA-N 2 0 546.033 6.696 1 30 KKEFRP C[NH+](C)CCC/[NH+]=C1\C[C@@H](c2ccc(C3CCCCC3)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086544 561836445 /nfs/dbraw/zinc/83/64/45/561836445.db2.gz CLPLBSVGTWCRQV-TUAZGVTNSA-N 2 0 506.090 6.411 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCC[NH+]1CCCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2 ZINC000027089588 561837108 /nfs/dbraw/zinc/83/71/08/561837108.db2.gz BOZCQXZOPVZRKG-OCSYKJHCSA-N 2 0 517.979 5.916 1 30 KKEFRP CC[NH+](CC)C1CCC(/[NH+]=C2\C[C@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1 ZINC000027092254 561837457 /nfs/dbraw/zinc/83/74/57/561837457.db2.gz GVJJHURYTJCUBE-BJANXBOCSA-N 2 0 560.953 7.371 1 30 KKEFRP CC[NH+](CC)CC(=O)Nc1nc2cc3nc(NC(=O)C[NH+](CC)CC)sc3c(Br)c2s1 ZINC000027181825 561841897 /nfs/dbraw/zinc/84/18/97/561841897.db2.gz VZDPIIIAPBGJLE-UHFFFAOYSA-N 2 0 527.514 5.528 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027554706 561869041 /nfs/dbraw/zinc/86/90/41/561869041.db2.gz PNFHNRJQQVSHOG-IJBIQLPJSA-N 2 0 698.576 7.893 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[NH+]2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027551943 561868209 /nfs/dbraw/zinc/86/82/09/561868209.db2.gz GVFWBCYSHWYPGP-UVIULGBXSA-N 2 0 682.577 8.922 1 30 KKEFRP CCCCNC(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5)=[NH+]CCCC ZINC000027630971 561873747 /nfs/dbraw/zinc/87/37/47/561873747.db2.gz ZRUAIILLUMGCGM-XRQFBBPYSA-N 2 0 611.831 5.251 1 30 KKEFRP CC(=O)SCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCSC(C)=O)cc3)cc2)cc1 ZINC000027632902 561873995 /nfs/dbraw/zinc/87/39/95/561873995.db2.gz DMSQAVIZCYKAJF-UHFFFAOYSA-N 2 0 606.854 6.098 1 30 KKEFRP CN(C/C(=N\OCCC[NH3+])[C@H](CC[NH+]1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000027885171 561889405 /nfs/dbraw/zinc/88/94/05/561889405.db2.gz SGBDUEZXJHDZIY-RUEZRPTRSA-N 2 0 685.524 6.744 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCC[NH2+]C3CCN(c4ccccc4OC(F)(F)F)CC3)NC#N)c2)C1C(=O)OC ZINC000028463476 561925807 /nfs/dbraw/zinc/92/58/07/561925807.db2.gz SHYPRYWHAGQIQO-SLPYKNDMSA-N 2 0 669.705 5.103 1 30 in-vivo KKEFRP NC(=[NH2+])NCc1ccc(NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(NC2CCCCC2)=[NH+]C2CCCCC2)cc1 ZINC000029563801 562033980 /nfs/dbraw/zinc/03/39/80/562033980.db2.gz VBUIWYPUKKMBDJ-WJOKGBTCSA-N 2 0 567.782 5.573 1 30 KKEFRP O=C(Nc1ccccc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000040976982 562087356 /nfs/dbraw/zinc/08/73/56/562087356.db2.gz YHSJEISDLLQMGK-UHFFFAOYSA-P 2 0 536.720 7.355 1 30 KKEFRP C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@H]3CC[C@H]4C[C@@H]5C[C@H]6C[C@H]([NH2+]C7CCCCC7)[C@H](O)C[C@H]6[C@@H]5[C@@]4(C)[NH2+]3)=CC(C)=C2C1 ZINC000085550036 560071748 /nfs/dbraw/zinc/07/17/48/560071748.db2.gz CLIIHOFAGXBHOL-SWJFOTRISA-N 2 0 546.884 7.860 1 30 biogenic,in-vitro KKEFRP C=C(C)[C@@H]1CC[C@@]2(C)CC([C@]34CC[C@@H]5C[C@H]6C[C@H]7C[C@H]([NH2+]C[C@H](C)O)[C@H](O)C[C@@H]7[C@@]6(CC3)[C@]5(C)[NH2+]4)=CC(C)=C2C1 ZINC000085550004 560071799 /nfs/dbraw/zinc/07/17/99/560071799.db2.gz OTAYNKLXIYQXGG-WLYCLRDGSA-N 2 0 548.856 6.443 1 30 biogenic,in-vitro KKEFRP CCCC[C@H]([NH3+])CCC[C@@H]1c2cc3ccccc3cc2C=C[C@H]1C[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+] ZINC000085510078 560074080 /nfs/dbraw/zinc/07/40/80/560074080.db2.gz CMFLXFMETDIQST-AEVMTYQFSA-N 2 0 555.747 5.523 1 30 biogenic,in-vitro KKEFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(C#Cc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044281735 562653257 /nfs/dbraw/zinc/65/32/57/562653257.db2.gz CUSIOSIOAYWTBT-UHFFFAOYSA-N 2 0 578.724 6.820 1 30 KKEFRP C[N@H+](Cc1ccccc1)Cc1ccc(/C=C2\Cc3ccc(OCCCC[NH+]4CCCCC4)cc3C2=O)cc1 ZINC000045358949 562662021 /nfs/dbraw/zinc/66/20/21/562662021.db2.gz ZZRZJQCUHYDGJB-DFKUXCBWSA-N 2 0 508.706 6.786 1 30 KKEFRP NC(=[NH2+])c1ccc2cc(-c3ccc(Oc4ccc(C(=[NH2+])NCCCNc5ccnc6cc(Cl)ccc65)cc4)cc3)[nH]c2c1 ZINC000049678831 562668647 /nfs/dbraw/zinc/66/86/47/562668647.db2.gz MDTYSJZUNSQCOW-UHFFFAOYSA-N 2 0 588.115 7.320 1 30 KKEFRP COC(=O)CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CC(=O)CCC[NH+]6[C@H]34)C5)c21 ZINC000049722672 562672394 /nfs/dbraw/zinc/67/23/94/562672394.db2.gz OAKXOCKVQUIGSF-BUPWABOPSA-N 2 0 676.902 6.852 1 30 KKEFRP O=C1CC[C@H]2C[C@]34C[N@H+]5CC[C@H]3C(c3nccc6c7cccc(O)c7[nH]c63)=C[C@@](O)(CC/C=C\CCCC5)[C@@H]4[NH+]2CC/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000049756509 562675047 /nfs/dbraw/zinc/67/50/47/562675047.db2.gz KJVQFYJJMRSIAM-RXCVRYRWSA-N 2 0 713.879 7.566 1 30 KKEFRP COc1ccc([C@](C#N)(CCC[N@@H+](CCc2ccc(C)c(OC)c2)CC2=CC(C)(C)[NH2+]C2(C)C)C(C)C)cc1OC ZINC000049793604 562685013 /nfs/dbraw/zinc/68/50/13/562685013.db2.gz OJBLWTBFVWJEGT-DHUJRADRSA-N 2 0 561.811 6.850 1 30 KKEFRP CCN(CC)C(NC(=[NH2+])NCc1cccc(Cl)c1)=[NH+]CCCCCC[NH+]=C(NC(=[NH2+])NCc1cccc(Cl)c1)N(CC)CC ZINC000053022881 562696151 /nfs/dbraw/zinc/69/61/51/562696151.db2.gz HQWBDGRTMLAGJU-UHFFFAOYSA-N 4 0 645.728 5.878 1 30 KKEFRP CCCCCCC/[NH+]=C/c1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1 ZINC000071317360 562718214 /nfs/dbraw/zinc/71/82/14/562718214.db2.gz MHKOAKOMZBGVAC-KEIPNQJHSA-N 2 0 508.666 7.346 1 30 KKEFRP CC(C)(C)OC(=O)N[C@H](CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CC[NH+](CCCC[n+]2c3ccccc3sc3cc(=NN=N)ccc2-3)CC1 ZINC000095550455 562760179 /nfs/dbraw/zinc/76/01/79/562760179.db2.gz HYJPZDPATAQIEB-UUWRZZSWSA-N 2 0 778.017 9.213 1 30 KKEFRP C#CC[N@@H+](C)[C@H](C)Cc1ccc(OCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095590623 562775305 /nfs/dbraw/zinc/77/53/05/562775305.db2.gz NQGQWZLZLZBCGY-MUUNZHRXSA-N 2 0 525.781 7.831 1 30 KKEFRP NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C[NH2+]Cc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000095595536 562776747 /nfs/dbraw/zinc/77/67/47/562776747.db2.gz SSLQNKGBUFHNOQ-UHFFFAOYSA-N 2 0 723.671 7.648 1 30 KKEFRP CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CC[NH+]1CCC(N2CCC[C@H](CC(=O)[S+]3CC[NH2+]CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095614803 562786889 /nfs/dbraw/zinc/78/68/89/562786889.db2.gz QOBSQVPUXRQIEE-UCQLWYMZSA-N 3 0 786.674 6.390 1 30 KKEFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)cc4Cl)cc3)c(Cl)c2)c1 ZINC000095890993 562790223 /nfs/dbraw/zinc/79/02/23/562790223.db2.gz KNPSBOXPNRUAFQ-UHFFFAOYSA-P 2 0 655.542 6.420 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccn2)=CC1=O)Cc1ccccn1 ZINC000100068886 562806556 /nfs/dbraw/zinc/80/65/56/562806556.db2.gz ZQZXUEWGYNOIRY-UHFFFAOYSA-N 2 0 574.814 5.040 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccco2)=CC1=O)Cc1ccco1 ZINC000101149233 562809509 /nfs/dbraw/zinc/80/95/09/562809509.db2.gz YKCMZUSFFWAFBL-UHFFFAOYSA-N 2 0 552.760 5.436 1 30 KKEFRP CCN(CC)C(NC(=[NH2+])NCc1ccc(Cl)cc1)=[NH+]CCCCCC[NH+]=C(NC(=[NH2+])NCc1ccc(Cl)cc1)N(CC)CC ZINC000101750127 562812085 /nfs/dbraw/zinc/81/20/85/562812085.db2.gz LHVXBOTUVGQSMQ-UHFFFAOYSA-N 4 0 645.728 5.878 1 30 KKEFRP C[C@H]1/C(=N\CCC[NH+](C)C)c2c(=O)c3cc(Cl)ccc3n(O)c2C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102156774 562812762 /nfs/dbraw/zinc/81/27/62/562812762.db2.gz NPPMHUYHRRXJOP-NQGDQHGFSA-N 2 0 505.968 5.628 1 30 KKEFRP CCN(CC)c1ccc(/C=[NH+]/CC(C)(C)CNCC[NH2+]CC(C)(C)C/[NH+]=C\c2ccc(N(CC)CC)cc2O)c(O)c1 ZINC000102334811 562813182 /nfs/dbraw/zinc/81/31/82/562813182.db2.gz CZMANBZIXXNOFQ-NSQVWVJGSA-N 3 0 580.862 5.560 1 30 KKEFRP C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)[NH2+][C@H](c3ccccc3)[C@@H]2C)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000103272479 562823084 /nfs/dbraw/zinc/82/30/84/562823084.db2.gz BDJHNEWIQASWSP-DZQQWFCUSA-N 2 0 526.728 8.007 1 30 KKEFRP C[C@H](CNC(=[NH2+])c1cccc(C(=[NH2+])NC[C@@H](C)Oc2cccc(C3CCCCC3)c2)n1)Oc1cccc(C2CCCCC2)c1 ZINC000138561126 562832036 /nfs/dbraw/zinc/83/20/36/562832036.db2.gz ZDBRQEJTXFFMQB-KAYWLYCHSA-N 2 0 595.832 7.523 1 30 KKEFRP CCCCCCCC[N+](C)(C)Cc1cc(C[n+]2ccccc2)cc(C[N+](C)(C)CCCCCCCC)c1 ZINC000200728007 562873369 /nfs/dbraw/zinc/87/33/69/562873369.db2.gz ZLXUFEDKMUMMFV-UHFFFAOYSA-N 3 0 510.875 7.896 1 30 KKEFRP C[N@H+](Cc1ccccc1)Cc1ccc(/C=C2\Cc3ccc(OCCCCC[NH+]4CCN(Cc5ccc(F)cc5)CC4)cc3C2=O)cc1 ZINC000473247511 562904969 /nfs/dbraw/zinc/90/49/69/562904969.db2.gz DUESVKHRCXGTCB-AVLPFNLUSA-N 2 0 631.836 7.647 1 30 KKEFRP CN1CCCN(S(=O)(=O)c2ccc(C3C=C4C(=Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)NC=N[C@@H]4S3)cc2)CC1 ZINC000474602268 562905216 /nfs/dbraw/zinc/90/52/16/562905216.db2.gz AVLCUFPPWRWCMG-MXBOTTGLSA-N 2 0 640.206 5.776 1 30 KKEFRP C=CC[NH+](C)CCCCCCCCOc1ccc2c(c1)C(=O)c1cc(OCCCCCCCC[N@@H+](C)CC=C)ccc1-2 ZINC000653742666 562910241 /nfs/dbraw/zinc/91/02/41/562910241.db2.gz MIMZYKCSWZYEBF-UHFFFAOYSA-N 2 0 574.850 8.572 1 30 KKEFRP C=C1C[NH+](C)C[C@@H]2[C@H]1C[C@@H](OC(=O)[C@H]1[C@H](c3ccc(O)c(OC)c3)[C@H](C(=O)O[C@@H]3C[C@H]4C(=C)C[N@@H+](C)C[C@H]4[C@@H]3C)[C@H]1c1ccc(O)c(OC)c1)[C@H]2C ZINC000653837650 562914758 /nfs/dbraw/zinc/91/47/58/562914758.db2.gz KIJUSQFNWHRYIR-WHHFFDCSSA-N 2 0 714.900 5.600 1 30 KKEFRP C[NH2+]C[C@H](C)CCCCCC(=O)C=C(O)C=Cc1cc(OC)c(O)cc1Cc1c[nH+]c(N)cc1CCc1cccc(CCCO)c1 ZINC000085630522 565163134 /nfs/dbraw/zinc/16/31/34/565163134.db2.gz JTHUXISAZSGVTE-NUKGXUILSA-N 2 0 629.842 6.026 1 30 biogenic,in-vitro KKEFRP COc1cc2c(cc1O)[C@@H](CC[C@H](O)CCc1cc[nH+]c(N)c1)C#C[C@@]1(CC[C@H](CC[C@@H]3C[NH2+][C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085631080 565163481 /nfs/dbraw/zinc/16/34/81/565163481.db2.gz QERRHLQZENDLAX-RBKAYBHFSA-N 2 0 671.879 5.029 1 30 biogenic,in-vitro KKEFRP COc1cc2c(cc1OC)[C@@H](Cc1ccc(OC3=C[C@@]4(C=CC3=O)C[C@@H]3c5c4c(OC)c(OC)cc5CC[N@H+]3C)cc1)[NH+](C)CC2 ZINC000086033245 565171364 /nfs/dbraw/zinc/17/13/64/565171364.db2.gz IAFYZOROUCWFHK-CZVCVAAJSA-N 2 0 622.762 5.765 1 30 biogenic,in-vitro KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000253636540 717166266 /nfs/dbraw/zinc/16/62/66/717166266.db2.gz MUQUYTSLDVKIOF-NBFLOUMCSA-N 2 0 666.910 5.476 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N(c1ccccc1)[C@@H]1[C@H]3CC[N@+]4(CC=C)CC6=CCO[C@@H]5[C@@H]1[C@H]6C[C@@H]34)C2 ZINC000253917893 717169123 /nfs/dbraw/zinc/16/91/23/717169123.db2.gz QHANGNNUHVLRLX-XCAINFJDSA-N 2 0 668.926 6.033 1 30 KKEFRP C=C(C)[C@H]1CC2=C(C)C=C([C@@H]3CC[C@@H]4C[C@@H]5C[C@H]6C[C@@H]([NH2+]C)[C@H](O)C[C@H]6[C@@H]5[C@]4(C)[NH2+]3)C[C@]2(C)C2(CCCC2)C1 ZINC000085550025 291891210 /nfs/dbraw/zinc/89/12/10/291891210.db2.gz RHRVQQSJPHBIJV-JFLXLNJHSA-N 2 0 532.857 7.328 1 30 biogenic,in-vitro KKEFRP CCCC[C@H]([NH3+])CCC[C@H](CC[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+])c1ccc2ccccc2c1 ZINC000085510187 291936811 /nfs/dbraw/zinc/93/68/11/291936811.db2.gz PJBFDMJMHJCYCW-KRVOVQORSA-N 2 0 531.725 5.270 1 30 biogenic,in-vitro KKEFRP C[C@H](C=O)CC[C@H]([NH3+])CCC[C@@H]1c2cc3cc(CC=O)ccc3cc2C=C[C@H]1C[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])[C@H]1CC[NH+]=C(N)N1 ZINC000085509945 291985139 /nfs/dbraw/zinc/98/51/39/291985139.db2.gz RAYHMSVEJRUJHD-OKZRSINCSA-N 2 0 651.832 5.093 1 30 biogenic,in-vitro KKEFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(C#N)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000013802266 561730765 /nfs/dbraw/zinc/73/07/65/561730765.db2.gz FCYFDSIYOJMHFF-GDLZYMKVSA-N 2 0 534.651 5.915 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCC[NH+]1CCCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2 ZINC000027086216 561836386 /nfs/dbraw/zinc/83/63/86/561836386.db2.gz UGSWODAVJICNSP-XABDBMMESA-N 2 0 532.006 6.306 1 30 KKEFRP CC(C)[NH+](CC(=O)Nc1nc2cc3nc(NC(=O)C[NH+](C(C)C)C(C)C)sc3cc2s1)C(C)C ZINC000027110150 561841317 /nfs/dbraw/zinc/84/13/17/561841317.db2.gz WTAWZPKLNXUAPK-UHFFFAOYSA-N 2 0 504.726 6.320 1 30 KKEFRP CC[NH+](CC)CCC[C@H](C)/[NH+]=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083753 561835647 /nfs/dbraw/zinc/83/56/47/561835647.db2.gz BHAUGLNZCIYVCK-YADWIZFTSA-N 2 0 548.942 7.229 1 30 KKEFRP Clc1ccc(/C(Cn2ccnc2)=N/O[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000027553404 561868573 /nfs/dbraw/zinc/86/85/73/561868573.db2.gz MCLUDIMDSXHBFH-PJZBTWFMSA-N 2 0 509.224 6.556 1 30 KKEFRP COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)[N@@H+]2CCNC(=O)CCC[N+]1=c2cc3c(cc2CCC1)=Cc1ccc(N(C)C)cc1C3(C)C ZINC000028530320 561934774 /nfs/dbraw/zinc/93/47/74/561934774.db2.gz HYQGUXVDIWGTKN-NPQCAVDXSA-O 2 0 730.801 7.336 1 30 KKEFRP Cc1cc(C)c[n+](CCCC#Cc2cc(C#CCCC[n+]3cc(C)cc(C)c3)cc(C#CCCC[n+]3cc(C)cc(C)c3)c2)c1 ZINC000028861855 561971813 /nfs/dbraw/zinc/97/18/13/561971813.db2.gz DLKMVSIWLBHIPN-UHFFFAOYSA-N 3 0 594.867 6.895 1 30 KKEFRP C[C@@H](C[C@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)[NH+]1CCC(c2ccccc2)CC1 ZINC000034804224 562043067 /nfs/dbraw/zinc/04/30/67/562043067.db2.gz XJETUGVIFZBZDZ-HFZDXXHNSA-N 2 0 566.605 8.395 1 30 KKEFRP CCCCCCCC[n+]1ccc(C(=O)NCCCCCCNC(=O)c2cc[n+](CCCCCCCC)cc2)cc1 ZINC000043523920 562648876 /nfs/dbraw/zinc/64/88/76/562648876.db2.gz KGOHHBMJESLEBO-UHFFFAOYSA-P 2 0 552.848 6.703 1 30 KKEFRP C=C(Cc1ccccc1)[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000044406011 562656756 /nfs/dbraw/zinc/65/67/56/562656756.db2.gz NZJRJRHYDNPSFZ-UHULTCERSA-N 2 0 590.896 8.300 1 30 KKEFRP [NH2+]=C(NC(=[NH+]CCCCCC[NH+]=C(NC(=[NH2+])Nc1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1)Nc1ccc(Cl)cc1 ZINC000049605376 562665772 /nfs/dbraw/zinc/66/57/72/562665772.db2.gz LXRUKSWAEULMPA-UHFFFAOYSA-N 4 0 641.696 6.810 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049902384 562693335 /nfs/dbraw/zinc/69/33/35/562693335.db2.gz IEBPGZDVZLOWFP-BRUCSRHUSA-N 2 0 712.603 8.140 1 30 KKEFRP [NH3+]CCCC[NH+](Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1)Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000049916456 562693484 /nfs/dbraw/zinc/69/34/84/562693484.db2.gz OZUBUZYOGOSGPN-UHFFFAOYSA-N 2 0 660.552 7.977 1 30 KKEFRP [NH3+]CCCCCN1C(Nc2ccc(-c3ccccc3)cc2)=[NH+]c2ccccc2[C@@H]1CC(=O)NCc1ccccc1 ZINC000049933075 562694843 /nfs/dbraw/zinc/69/48/43/562694843.db2.gz NCLKJWJCTJQAEQ-YTTGMZPUSA-N 2 0 531.704 6.645 1 30 KKEFRP Oc1ccc(-c2nc3ccccc3c3c2-c2ccc(OCC[NH+]4CCCC4)cc2/C3=N\OCC[NH+]2CCCC2)cc1 ZINC000082152786 562740104 /nfs/dbraw/zinc/74/01/04/562740104.db2.gz AZOVZUBHNDKPRZ-JMUUFCRMSA-N 2 0 548.687 5.927 1 30 KKEFRP C[NH+](C)CCCO/N=C1\c2cc(OCCC[NH+](C)C)ccc2-c2c1c1ccccc1nc2-c1ccc(O)cc1 ZINC000082152781 562740129 /nfs/dbraw/zinc/74/01/29/562740129.db2.gz PKOPVDUQKBROEE-NWBJSICCSA-N 2 0 524.665 5.639 1 30 KKEFRP O=C1CC[C@H]2C[C@]34C[N@H+]5CC[C@H]3C(c3nccc6c7cccc(O)c7[nH]c63)=C[C@@](O)(CC/C=C\CCCC5)[C@@H]4[NH+]2CC/C1=C/c1ccc(Br)cc1 ZINC000095537383 562754357 /nfs/dbraw/zinc/75/43/57/562754357.db2.gz LJMKLSURHJEQGQ-RXCVRYRWSA-N 2 0 747.778 8.420 1 30 KKEFRP CCCCCCCc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C[NH2+]Cc3ccc(CCCCCCC)cc3)C2)cc1 ZINC000095588812 562774759 /nfs/dbraw/zinc/77/47/59/562774759.db2.gz WGGBUUUEPSKVDZ-LQFQNGICSA-N 2 0 518.874 9.398 1 30 KKEFRP NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C[NH2+]Cc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCSCC2)C1 ZINC000095596657 562777051 /nfs/dbraw/zinc/77/70/51/562777051.db2.gz TZUDZPIBLDXFKI-UHFFFAOYSA-N 2 0 701.724 5.355 1 30 KKEFRP O=C1/C(=C/c2ccc(OCCCCn3ccnc3)cc2)CC/C1=C\c1ccc(OCCCCn2ccnc2)cc1 ZINC000095598232 562777365 /nfs/dbraw/zinc/77/73/65/562777365.db2.gz LZCXLSPTXFIQCF-HCTXVGCHSA-N 2 0 536.676 6.628 1 30 KKEFRP N#Cc1ccc(C[C@H](NC(=O)Nc2ccc3c(C[NH+]4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)cc1 ZINC000095610120 562784224 /nfs/dbraw/zinc/78/42/24/562784224.db2.gz HNEXEAOIWBIZMC-YDAXCOIMSA-N 2 0 835.841 6.261 1 30 KKEFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)cc4OC)cc3)c(OC)c2)c1 ZINC000095890987 562790221 /nfs/dbraw/zinc/79/02/21/562790221.db2.gz WSINYXKEIZFYGN-UHFFFAOYSA-P 2 0 702.812 6.492 1 30 KKEFRP CCCCCCCCn1cc[n+](Cc2cc3ccccc3c(-c3c(O)c(C[n+]4ccn(CCCCCCCC)c4)cc4ccccc43)c2O)c1 ZINC000150523743 562843635 /nfs/dbraw/zinc/84/36/35/562843635.db2.gz QBDXHCBKIDCNRJ-UHFFFAOYSA-P 2 0 672.958 10.067 1 30 KKEFRP CC[NH+](CC)CCC/N=C(\C)N(CCC[NH+](CC)CC)c1c2ccc(Cl)cc2nc2ccc(OC)nc21 ZINC000299860715 562893035 /nfs/dbraw/zinc/89/30/35/562893035.db2.gz JQLBKDQQIRZOHW-DFKUXCBWSA-N 2 0 527.157 6.134 1 30 KKEFRP CNC(=[NH2+])Nc1cc(CCC=CC(=O)C2(Cc3ccc(O)c(OC)c3)CCCC2)cc(O[C@]2(C[NH2+]C)CC[C@@H](CCOCCCO)C2)c1O ZINC000085596993 565156634 /nfs/dbraw/zinc/15/66/34/565156634.db2.gz IESPPOHQUFJFIG-WBCUCWTRSA-N 2 0 680.887 5.460 1 30 biogenic,in-vitro KKEFRP CNC(=[NH2+])Nc1cc(C[C@H](C=CC(=O)CCc2ccc(O)c(OC)c2)C(C)C)cc(O[C@]2(C[NH2+]C)CC[C@H](CCOC)C2)c1O ZINC000085597007 565156693 /nfs/dbraw/zinc/15/66/93/565156693.db2.gz VOFCINYJQUXGDT-VXVJEPNHSA-N 2 0 624.823 5.419 1 30 biogenic,in-vitro KKEFRP CNC(=[NH2+])Nc1cc(CCC=CC(=O)CCc2ccc(O)c(OC)c2)cc(O[C@]2(C[NH2+]C)CC[C@H](C[C@H](O)OC3CCCCC3)C2)c1O ZINC000085596991 565156702 /nfs/dbraw/zinc/15/67/02/565156702.db2.gz NHLLATVZWPAIPF-DYJMSTAYSA-N 2 0 666.860 5.558 1 30 biogenic,in-vitro KKEFRP C[N+]1(CC(=O)C[N+]2(C)Cc3c4c(ccc3-c3ccc5cc6c(cc5c32)OCO6)OCO4)Cc2c3c(ccc2-c2ccc4cc5c(cc4c21)OCO5)OCO3 ZINC000085490309 717136429 /nfs/dbraw/zinc/13/64/29/717136429.db2.gz YSBGIIMCOIPLNG-UHFFFAOYSA-N 2 0 722.750 7.413 1 30 biogenic,in-vitro KKEFRP C=CC[N+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000169347752 717155933 /nfs/dbraw/zinc/15/59/33/717155933.db2.gz MUQUYTSLDVKIOF-OQDXXKLHSA-N 2 0 666.910 5.476 1 30 KKEFRP C=C1O[C@H]2Oc3ccc4[nH]c5c(c4c3[C@H](C)[C@H]2[C@H]2C[C@H]3[NH2+][C@H](Cc4c6ccccc6[nH]c43)[C@@H]12)C[C@@H]1[C@@H](CO)[C@@H]2C[C@H]5[N@@+]1(C)C/C2=C/C ZINC000255260248 717171688 /nfs/dbraw/zinc/17/16/88/717171688.db2.gz PYPRVISVQWHLLM-FARLHUNHSA-N 2 0 629.825 6.524 1 30 KKEFRP C=CC[N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000299819975 717180798 /nfs/dbraw/zinc/18/07/98/717180798.db2.gz CGXQWTJFJFBOAR-JNGYTWQESA-N 2 0 652.883 5.626 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000299820016 717180851 /nfs/dbraw/zinc/18/08/51/717180851.db2.gz CGXQWTJFJFBOAR-SLPIZRLESA-N 2 0 652.883 5.626 1 30 KKEFRP C=CC[N@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)[C@H](CC)C2)c1ccccc1[C@@]71CC[N@+]2(CC=C)C[C@@H](CCO)[C@@H]6C[C@@H]12 ZINC000299822328 717181005 /nfs/dbraw/zinc/18/10/05/717181005.db2.gz IEFISMAATDYLFR-FAXUPOMGSA-N 2 0 654.943 6.663 1 30 KKEFRP CNC(=[NH2+])Nc1cc(C[C@H](C=CC(=O)C2(Cc3ccc(O)c(OC)c3)CCCC2)C(C)C)cc(O[C@]2(C[NH2+]C)CC[C@H](CCOC)C2)c1O ZINC000085596982 291953627 /nfs/dbraw/zinc/95/36/27/291953627.db2.gz CKKWQNGQHXJXNS-PXRZYDLWSA-N 2 0 678.915 6.589 1 30 biogenic,in-vitro KKEFRP NC(=[NH2+])NCC(=CC(=O)[O-])[C@@H](C[C@@H]1C=Cc2cc3ccc(CC=O)cc3cc2[C@H]1CCC[C@H]([NH3+])CCCCCCO)NC1=[NH+]CC=C1 ZINC000085509989 291989872 /nfs/dbraw/zinc/98/98/72/291989872.db2.gz UZCFJCODRQFHMR-BZIYIPGMSA-N 2 0 641.837 5.017 1 30 biogenic,in-vitro KKEFRP N#Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH2+]CC2)c1 ZINC000003987153 561692883 /nfs/dbraw/zinc/69/28/83/561692883.db2.gz HXOUWMDPXDNCQD-LJAQVGFWSA-N 2 0 519.476 6.070 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[N@@H+]2CCCC[C@H]2CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000003994920 561693641 /nfs/dbraw/zinc/69/36/41/561693641.db2.gz AUQCRJDJIAOZCU-IINNRZRWSA-N 2 0 726.630 8.673 1 30 KKEFRP CC(C)([NH3+])CNC(Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)=[NH+]C1CCCCC1 ZINC000013581485 561720056 /nfs/dbraw/zinc/72/00/56/561720056.db2.gz VOAHDPCQCTZCKL-UHFFFAOYSA-N 2 0 504.506 5.393 1 30 KKEFRP N#Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000014191782 561737557 /nfs/dbraw/zinc/73/75/57/561737557.db2.gz IDIWZIDMIGABIO-PSXMRANNSA-N 2 0 609.601 7.982 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCC[NH+]1CCCC1)C[C@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000027090275 561837046 /nfs/dbraw/zinc/83/70/46/561837046.db2.gz ZFOQTWGJCURXLI-GOTVHDSGSA-N 2 0 517.979 5.916 1 30 KKEFRP CCOC(=O)c1c2nc(NC(=O)C[NH+](CC)CC)sc2c(C)c2sc(NC(=O)C[NH+](CC)CC)nc21 ZINC000027179615 561841475 /nfs/dbraw/zinc/84/14/75/561841475.db2.gz SIEKKPSEPFMYGM-UHFFFAOYSA-N 2 0 534.708 5.251 1 30 KKEFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@@H](C)C[NH+]2CCC(C#N)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027547401 561867053 /nfs/dbraw/zinc/86/70/53/561867053.db2.gz IYHKQABMQSZQIQ-YKGWIAGDSA-N 2 0 548.678 6.161 1 30 KKEFRP [NH2+]=C(NCc1ccc(Cl)cc1)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000027630127 561873694 /nfs/dbraw/zinc/87/36/94/561873694.db2.gz OAEPINWNHRSASK-ZLFJBEIYSA-N 2 0 596.131 5.153 1 30 KKEFRP CN(C/C(=N\OCCC[NH3+])[C@@H](CC[NH+]1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000027885163 561889423 /nfs/dbraw/zinc/88/94/23/561889423.db2.gz SGBDUEZXJHDZIY-BMBJNURPSA-N 2 0 685.524 6.744 1 30 KKEFRP NC(=[NH2+])Nc1nc([C@@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702825 561947309 /nfs/dbraw/zinc/94/73/09/561947309.db2.gz WMZBGVXJAMWDEI-JOCHJYFZSA-N 2 0 612.644 5.755 1 30 KKEFRP C=CC[NH2+][C@@H](Cc1c(C)cc(O)cc1C)C(=O)N(CCC)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)[NH2+]CC=C)c(=O)[nH]1 ZINC000028816966 561964493 /nfs/dbraw/zinc/96/44/93/561964493.db2.gz NWDZARLHJWJMPM-LQJZCPKCSA-N 2 0 672.871 5.087 1 30 KKEFRP Cc1cccc[n+]1CCCC#Cc1cc(C#CCCC[n+]2ccccc2C)cc(C#CCCC[n+]2ccccc2C)c1 ZINC000028861848 561971743 /nfs/dbraw/zinc/97/17/43/561971743.db2.gz DBLCOKAOZCVCOS-UHFFFAOYSA-N 3 0 552.786 5.970 1 30 KKEFRP NC(=[NH2+])NCc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(NC2CCCCC2)=[NH+]C2CCCCC2)cc1 ZINC000029563797 562033947 /nfs/dbraw/zinc/03/39/47/562033947.db2.gz VBUIWYPUKKMBDJ-HKBQPEDESA-N 2 0 567.782 5.573 1 30 KKEFRP C[C@H]1C[N@H+](CC[C@H](C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 ZINC000034804220 562043084 /nfs/dbraw/zinc/04/30/84/562043084.db2.gz ZMMQSBUIFMJUKH-TXOCWCCNSA-N 2 0 566.605 8.252 1 30 KKEFRP CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](CNC(=[NH2+])NC)C[C@@]34CC[C@H](C[NH2+]CC)C4)s2)s1 ZINC000085592339 560065874 /nfs/dbraw/zinc/06/58/74/560065874.db2.gz MVJLBCUHHZYTJL-CDGHXISVSA-N 2 0 510.773 5.587 1 30 biogenic,in-vitro KKEFRP CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](COC(=O)CCC[NH3+])OC(=O)CCC[NH3+] ZINC000043938931 562651290 /nfs/dbraw/zinc/65/12/90/562651290.db2.gz DFFILCAAHKNODK-OGJPMFGRSA-N 2 0 526.759 5.500 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@@](O)(C#C[C@](O)(c2ccc(C)cc2)c2ccc(OCC[NH+](CC)CC)cc2)c2ccc(C)cc2)cc1 ZINC000049613911 562666500 /nfs/dbraw/zinc/66/65/00/562666500.db2.gz YTWFKYRWNBZZAU-ZRKBJOGQSA-N 2 0 648.888 6.920 1 30 KKEFRP CCC[NH+](CCC)CCOc1ccc([C@](O)(C#C[C@](O)(c2ccc(OCC[NH+](CCC)CCC)cc2)c2cccc(Cl)c2)c2cccc(Cl)c2)cc1 ZINC000049625627 562666814 /nfs/dbraw/zinc/66/68/14/562666814.db2.gz RUBPQZUPPJWYJF-PIYFIQLCSA-N 2 0 745.832 9.170 1 30 KKEFRP NC(=[NH2+])c1ccc(Oc2ccc(-c3cc4ccc(C(=[NH2+])NCCCNc5ccnc6cc(Cl)ccc65)cc4[nH]3)cc2)cc1 ZINC000049678836 562668653 /nfs/dbraw/zinc/66/86/53/562668653.db2.gz WMPILZNEMXEORR-UHFFFAOYSA-N 2 0 588.115 7.320 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@H](O)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049902561 562693367 /nfs/dbraw/zinc/69/33/67/562693367.db2.gz PNFHNRJQQVSHOG-SGLBNIPSSA-N 2 0 698.576 7.893 1 30 KKEFRP COc1ccc(F)cc1C[NH2+]CCCNc1cc[nH+]c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12 ZINC000072124381 562725063 /nfs/dbraw/zinc/72/50/63/562725063.db2.gz PWUOMUXSGIGTMZ-UHFFFAOYSA-N 2 0 551.506 7.679 1 30 KKEFRP COc1ccc2c(c1OCCCCCCOc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000082178721 562741740 /nfs/dbraw/zinc/74/17/40/562741740.db2.gz LCPCLDLSIATUIF-CNJGMTGTSA-N 2 0 740.938 5.957 1 30 KKEFRP [NH3+]Cc1cccc(C2CCN(C(=O)c3cccc(C#CC#Cc4cccc(C(=O)N5CCC(c6cccc(C[NH3+])c6)CC5)c4)c3)CC2)c1 ZINC000084636118 562746326 /nfs/dbraw/zinc/74/63/26/562746326.db2.gz IKFRMOBETBLTOP-UHFFFAOYSA-N 2 0 634.824 6.047 1 30 KKEFRP COc1ccc(C[C@H](NC(=O)Nc2ccc3c(C[NH2+]C4CCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)cc1 ZINC000095535870 562753878 /nfs/dbraw/zinc/75/38/78/562753878.db2.gz KERHFSAJXXAEGS-ZAQUEYBZSA-N 2 0 803.984 5.457 1 30 KKEFRP CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)[NH+]=C(N4)N65)[C@H](C)NC(=[NH+]1)N32 ZINC000095558893 562762563 /nfs/dbraw/zinc/76/25/63/562762563.db2.gz CZTJWJLHIXLJLN-DUHJXSFKSA-N 2 0 594.889 6.412 1 30 KKEFRP C#CC[N@@H+](C)[C@H](C)Cc1ccc(OCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000095591245 562775567 /nfs/dbraw/zinc/77/55/67/562775567.db2.gz UHBQVRDIKUXATE-HHHXNRCGSA-N 2 0 511.754 7.441 1 30 KKEFRP O=C1/C(=C/c2ccc(OCCCC[NH+]3CCCCC3)cc2)CCC/C1=C\c1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000095596513 562777003 /nfs/dbraw/zinc/77/70/03/562777003.db2.gz SXGANPQTYYYYHF-NTTOWZKBSA-N 2 0 584.845 8.196 1 30 KKEFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCC[N+](C)(C)C)[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095606974 562782566 /nfs/dbraw/zinc/78/25/66/562782566.db2.gz YBXZHIHWNYKOOP-YTTGMZPUSA-N 2 0 791.887 5.561 1 30 KKEFRP CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CC[NH+]1CCC(N2CCC[C@H](CC(=O)[S+]3CC[NH2+]CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095614802 562786887 /nfs/dbraw/zinc/78/68/87/562786887.db2.gz QOBSQVPUXRQIEE-PQGZKGQESA-N 3 0 786.674 6.390 1 30 KKEFRP O=C1C=C(NCCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)cc2)C(=O)C=C1NCCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)cc1 ZINC000150539110 562844113 /nfs/dbraw/zinc/84/41/13/562844113.db2.gz CGLJQSSUGVUSLB-UHFFFAOYSA-N 2 0 698.918 6.998 1 30 KKEFRP C=CC[NH+](CC=C)CCCOC(=O)c1ccc2oc3ccc(C(=O)OCCC[NH+](CC=C)CC=C)cc3c2c1 ZINC000169328142 562858259 /nfs/dbraw/zinc/85/82/59/562858259.db2.gz WXKNIJMCRHXZFZ-UHFFFAOYSA-N 2 0 530.665 6.028 1 30 KKEFRP C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C[N@H+](C)CCC[C@]3(c4ccc(F)cc4)OCc4cc(C#N)ccc43)ccc21 ZINC000299845956 562889573 /nfs/dbraw/zinc/88/95/73/562889573.db2.gz PVWATSQEKUHFAQ-LJEWAXOPSA-N 2 0 621.772 7.638 1 30 KKEFRP C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C[N@H+](C)CCC[C@]3(c4ccc(F)cc4)OCc4cc(C#N)ccc43)ccc21 ZINC000299845957 562889577 /nfs/dbraw/zinc/88/95/77/562889577.db2.gz PVWATSQEKUHFAQ-ZESVVUHVSA-N 2 0 621.772 7.638 1 30 KKEFRP CC[NH+](CC)CCC/N=C(\c1cccnc1)N(CCC[NH+](CC)CC)c1ccnc2cc(Cl)ccc21 ZINC000299857203 562892113 /nfs/dbraw/zinc/89/21/13/562892113.db2.gz DWOIEZLAIPZEDZ-XPXRSFDGSA-N 2 0 509.142 6.000 1 30 KKEFRP CN1CCCN(S(=O)(=O)c2ccc(C3C=C4C(=Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)NC=N[C@@H]4S3)cc2)CC1 ZINC000474602271 562905198 /nfs/dbraw/zinc/90/51/98/562905198.db2.gz AVLCUFPPWRWCMG-SUYBVONHSA-N 2 0 640.206 5.776 1 30 KKEFRP C[N+]1(Cc2ccccc2)CCN(c2ccc(C=CC(=O)CC(=O)C=Cc3ccc(N4CC[N+](C)(Cc5ccccc5)CC4)cc3)cc2)CC1 ZINC000653784963 562912336 /nfs/dbraw/zinc/91/23/36/562912336.db2.gz ICLYJTHGJRUFEL-GJHDBBOXSA-O 2 0 654.899 7.358 1 30 KKEFRP CCCCC[C@H](C)[C@@]1(CNC(=[NH2+])NC)C#C[C@H]2CCC[C@H]3C[C@@H](CC[NH2+]3)Oc3cc(ccc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628087 565161142 /nfs/dbraw/zinc/16/11/42/565161142.db2.gz VRIGMKODMXCVGR-XBNLVDKPSA-N 2 0 638.894 5.277 1 30 biogenic,in-vitro KKEFRP C=CC[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000049672537 717129912 /nfs/dbraw/zinc/12/99/12/717129912.db2.gz VVZBCIOJHKFEKW-VHPPAWSRSA-N 2 0 666.910 5.668 1 30 KKEFRP C=CC[N+]12CC[C@@]34c5ccccc5N5C=C6[C@@H]7N(c8ccccc8[C@@]78CC[N+]7(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]87)[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@H]6[C@H]54 ZINC000169356353 717156131 /nfs/dbraw/zinc/15/61/31/717156131.db2.gz KPXQYLXOSUNABC-SBTXGBOJSA-N 2 0 666.910 5.572 1 30 KKEFRP C=CC[N@+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@@+]5(CC=C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2 ZINC000253917892 717169037 /nfs/dbraw/zinc/16/90/37/717169037.db2.gz QHANGNNUHVLRLX-VWJLAKNOSA-N 2 0 668.926 6.033 1 30 KKEFRP CCCC[C@H]([NH3+])CCC[C@@H]1c2cc3cc(CC=O)ccc3cc2C=C[C@H]1C[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])[C@H]1CC[NH+]=C(N)N1 ZINC000085510004 291936715 /nfs/dbraw/zinc/93/67/15/291936715.db2.gz PLXBPNPQXHROAT-CGLIAAGVSA-N 2 0 623.822 5.668 1 30 biogenic,in-vitro KKEFRP CCCC[C@H]([NH3+])CCC[C@H]1c2cc3ccccc3cc2CC[C@@H]1C[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+] ZINC000085510083 291936809 /nfs/dbraw/zinc/93/68/09/291936809.db2.gz KTBNOAZZFPEVJH-ZTOYRWRMSA-N 2 0 557.763 5.443 1 30 biogenic,in-vitro KKEFRP CCCC[C@H]([NH3+])CC[C@H]1C=C[C@@H]2Cc3cc4ccc(CC=O)cc4cc3[C@H]1[C@H]2C[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+] ZINC000085509998 291936819 /nfs/dbraw/zinc/93/68/19/291936819.db2.gz DQWJXWXYQFNDIS-FGIXXAADSA-N 2 0 623.822 5.206 1 30 biogenic,in-vitro KKEFRP C[N+](C)(CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)C[C@@H]3CCCCO3)cc2)cc1)C[C@@H]1CCCCO1 ZINC000013649936 561722793 /nfs/dbraw/zinc/72/27/93/561722793.db2.gz GRGPUVVVCRDZSY-KYJUHHDHSA-N 2 0 522.730 5.010 1 30 KKEFRP COc1ccc([C@](C#N)(CCCCC[N@@H+]2CCc3cc(OC)c(OCC[NH+](C)C)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026269341 561776882 /nfs/dbraw/zinc/77/68/82/561776882.db2.gz PVITUUCIOROYKQ-PSXMRANNSA-N 2 0 617.856 7.091 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCN(CC(=O)N2CC[C@H]([NH+](C)C)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026388065 561784935 /nfs/dbraw/zinc/78/49/35/561784935.db2.gz ZCXLYGVZLHNYBD-PWPDTINHSA-N 2 0 740.617 6.504 1 30 KKEFRP C[NH+](C)CCC/[NH+]=C1\C[C@H](c2cccc(Br)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027085397 561836148 /nfs/dbraw/zinc/83/61/48/561836148.db2.gz AZZHOTXPIMZWCS-DFIGIENVSA-N 2 0 502.840 5.126 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCCC[NH+]3CCC(C(C)(C)C)CC3)NC#N)c2)C1C(=O)OC ZINC000027087013 561836444 /nfs/dbraw/zinc/83/64/44/561836444.db2.gz NKILFLXMXIYUKV-XXASTYAFSA-N 2 0 564.731 5.094 1 30 KKEFRP C[NH+](C)CCC/[NH+]=C1\C[C@H](c2ccc(C3CCCCC3)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086552 561836463 /nfs/dbraw/zinc/83/64/63/561836463.db2.gz CLPLBSVGTWCRQV-IENMMRBYSA-N 2 0 506.090 6.411 1 30 KKEFRP C[NH+](C)CCCCCCC/[NH+]=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027088659 561836728 /nfs/dbraw/zinc/83/67/28/561836728.db2.gz GHIHULPHFUWEAO-JGDZZUQBSA-N 2 0 548.942 7.230 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027550479 561867906 /nfs/dbraw/zinc/86/79/06/561867906.db2.gz AUQCRJDJIAOZCU-AZDNONFSSA-N 2 0 726.630 8.673 1 30 KKEFRP C=C[C@H]([NH3+])CCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCC[NH3+] ZINC000027852024 561886097 /nfs/dbraw/zinc/88/60/97/561886097.db2.gz PWQZSGACFSHZDF-LKCWFZPWSA-N 2 0 548.765 5.607 1 30 KKEFRP CN(C/C(=N\OCCC[N+](C)(C)C)[C@H](CC[NH+]1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000027884325 561889335 /nfs/dbraw/zinc/88/93/35/561889335.db2.gz HLBLLGYOMVQROQ-VMISLOOWSA-N 2 0 728.613 7.492 1 30 KKEFRP CCCCCCCNC(=[NH2+])Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000038156981 562068498 /nfs/dbraw/zinc/06/84/98/562068498.db2.gz CZMGVJNMEAHBDS-JJVQHPENSA-N 2 0 568.762 5.443 1 30 KKEFRP CNC(=[NH2+])Nc1cc(CCC=CC(=O)C2(Cc3ccc(O)c(OC)c3)CCCC2)cc(OC2(C[NH2+]C)CCCC2)c1O ZINC000085597041 560063272 /nfs/dbraw/zinc/06/32/72/560063272.db2.gz IFFRNCHYQXCQGM-VZUCSPMQSA-N 2 0 578.754 5.444 1 30 biogenic,in-vitro KKEFRP C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@]56[C@@H]7C[C@H](O)[C@@H]([NH2+]C)C[C@H]7C[C@H]5C[C@@H](CC3)[C@@]6(C)[NH2+]4)=CC(C)=C2C1 ZINC000085550027 560071831 /nfs/dbraw/zinc/07/18/31/560071831.db2.gz JDGMQGYMDGDFAR-IVPRXJKXSA-N 2 0 502.787 6.468 1 30 biogenic,in-vitro KKEFRP NC(=[NH2+])NCC(=CC(=O)[O-])[C@@H](C[C@@H]1C=Cc2cc3ccccc3cc2[C@H]1CCC[C@H]([NH3+])CCCCCCO)NC1=[NH+]CC=C1 ZINC000085510042 560074069 /nfs/dbraw/zinc/07/40/69/560074069.db2.gz QPMKRHSYLXARDV-GYDDOGSFSA-N 2 0 599.800 5.276 1 30 biogenic,in-vitro KKEFRP CC[NH+](CC)CCOc1ccc([C@@](O)(C#C[C@](O)(c2ccccc2)c2ccc(OCC[NH+](CC)CC)cc2)c2ccccc2)cc1 ZINC000049605031 562665214 /nfs/dbraw/zinc/66/52/14/562665214.db2.gz OSPPMWGVSXYVSO-LQDDJWCHSA-N 2 0 620.834 6.303 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049902381 562693349 /nfs/dbraw/zinc/69/33/49/562693349.db2.gz IEBPGZDVZLOWFP-XNYSBZOGSA-N 2 0 712.603 8.140 1 30 KKEFRP [NH2+]=C(NCc1ccc(Cl)c(Cl)c1)NC(=[NH+]CCCCCC[NH+]=C(NC(=[NH2+])NCc1ccc(Cl)c(Cl)c1)N1CCCCC1)N1CCCCC1 ZINC000058655537 562701401 /nfs/dbraw/zinc/70/14/01/562701401.db2.gz HSANTPYIGGIVFM-UHFFFAOYSA-N 4 0 738.640 7.473 1 30 KKEFRP Cc1ccccc1Cn1cc(C[NH+]2CCCC2)c2ccc(NC(=O)N[C@@H](Cc3ccc(C#N)cc3)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)cc21 ZINC000095539576 562755180 /nfs/dbraw/zinc/75/51/80/562755180.db2.gz XKIVAVYUZHQHHS-ZAQUEYBZSA-N 2 0 780.978 5.053 1 30 KKEFRP COc1ccc2c(c1OC(=O)CCCCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000095550166 562759958 /nfs/dbraw/zinc/75/99/58/562759958.db2.gz DGZWWKDGJCYMIG-OQXZIKJGSA-N 2 0 796.958 5.790 1 30 KKEFRP CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc(OCC[NH+]4CCCCC4)cc3)c2OCC[NH+]2CCCCC2)O1 ZINC000095586046 562773789 /nfs/dbraw/zinc/77/37/89/562773789.db2.gz XCNCIVYGIYRNEA-RVDMUPIBSA-N 2 0 544.736 6.496 1 30 KKEFRP CCCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCCC)c5)cc4)cc3)cc2)c1 ZINC000095890982 562790206 /nfs/dbraw/zinc/79/02/06/562790206.db2.gz PCUSDDCLXOJICI-UHFFFAOYSA-P 2 0 670.814 7.255 1 30 KKEFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)c(Cl)c4)cc3)cc2Cl)c1 ZINC000095890994 562790225 /nfs/dbraw/zinc/79/02/25/562790225.db2.gz AQKZWTVLUCXTIR-UHFFFAOYSA-P 2 0 655.542 6.420 1 30 KKEFRP N#Cc1c(NCCC2CC[NH+](Cc3ccccc3)CC2)nc(NCCC2CC[NH+](Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1 ZINC000096913145 562800175 /nfs/dbraw/zinc/80/01/75/562800175.db2.gz NGQBESRBBIDATI-UHFFFAOYSA-N 2 0 637.876 7.920 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=NCC[NH2+]C3CCN(c4ccccc4C(F)(F)F)CC3)NC#N)c2)C1C(=O)OC ZINC000150345663 562843194 /nfs/dbraw/zinc/84/31/94/562843194.db2.gz DKTNBYRKNCTDGA-SLPYKNDMSA-N 2 0 653.706 5.224 1 30 in-vivo KKEFRP C[N+](C)(CC[N+](C)(C)CC(=O)[N-]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)[N-]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150538994 562844096 /nfs/dbraw/zinc/84/40/96/562844096.db2.gz ANUSIJLVCHDGEY-UHFFFAOYSA-P 2 0 924.500 7.629 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)[C@H](CC)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C[C@@H](CC)[C@@H]6C[C@@H]12 ZINC000299829716 562884974 /nfs/dbraw/zinc/88/49/74/562884974.db2.gz VEBXTZDIMGDKGV-BCXXLGCUSA-N 2 0 638.944 7.691 1 30 KKEFRP COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)C[n+]5ccccc5)CC[C@]4(C)[C@H]3C[C@H](OC(=O)C[n+]3ccccc3)[C@]12C ZINC000473135987 562900906 /nfs/dbraw/zinc/90/09/06/562900906.db2.gz MKDOPNADXYWCEA-SIBXKETCSA-N 2 0 646.869 5.644 1 30 KKEFRP C[N@H+](Cc1ccccc1)Cc1ccc(/C=C2\CCc3cc(OCCCCC[NH+]4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)ccc3C2=O)cc1 ZINC000473249301 562905107 /nfs/dbraw/zinc/90/51/07/562905107.db2.gz UFQHMWJWRXIYJX-ULIXHMOOSA-N 2 0 739.951 9.766 1 30 KKEFRP CO/N=C(\Cc1cc(Br)c(OC)c(Br)c1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)/C(Cc1cc(Br)c(OC)c(Br)c1)=N/OC ZINC000653723571 562908921 /nfs/dbraw/zinc/90/89/21/562908921.db2.gz CCIXGLSGIVDEHK-CTQPMARESA-N 2 0 928.356 5.516 1 30 KKEFRP C[C@H](C=O)CC[C@H]([NH3+])CCC[C@H]1c2cc3cc(CC=O)ccc3cc2[C@@H]2CC[C@@H]([C@@H](NC3=[NH+]CC=C3)C(=CC(=O)[O-])CNC(N)=[NH2+])[C@H]1C2 ZINC000085509960 565133956 /nfs/dbraw/zinc/13/39/56/565133956.db2.gz LMTIDTJVQUJUBZ-DDOJHXNESA-N 2 0 653.848 5.170 1 30 biogenic,in-vitro KKEFRP CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=[NH2+])NC)C[C@@]34CC[C@@H](C[NH2+]CC)C4)s2)s1 ZINC000085592310 565147056 /nfs/dbraw/zinc/14/70/56/565147056.db2.gz JSUZWNUTSDZYAY-XDYBZGLXSA-N 2 0 689.992 6.696 1 30 biogenic,in-vitro KKEFRP CNC(=[NH2+])Nc1cc(CCC=CC(=O)C2(Cc3ccc(O)c(OC)c3)CCCC2)cc(O[C@]2(C[NH2+]C)CC[C@H](CCOC3CCCC3)C2)c1O ZINC000085596998 565156684 /nfs/dbraw/zinc/15/66/84/565156684.db2.gz OZULZFCPKSGFEA-GTPRDLFESA-N 2 0 690.926 7.020 1 30 biogenic,in-vitro KKEFRP CCCCC[C@H](C=CC(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=[NH2+])NC)c(O)c(O[C@]2(C[NH2+]C)CC[C@H](C[C@H](O)OC)C2)c1 ZINC000085596958 565156741 /nfs/dbraw/zinc/15/67/41/565156741.db2.gz RDCHFXBBAOFBNL-MKNQTFTQSA-N 2 0 668.876 5.662 1 30 biogenic,in-vitro KKEFRP C=CC[N@@+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@@H+]5CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@H]57)C2 ZINC000253660847 717166983 /nfs/dbraw/zinc/16/69/83/717166983.db2.gz SQFWNWHBBKLBMR-BFGADDJESA-N 2 0 627.853 5.332 1 30 KKEFRP C=CC[N@+]12CC[C@]34c5cc(C)c(C)cc5N5[C@@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3cc(C)c(C)cc3[C@@]34CC[N@+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000253783199 717168805 /nfs/dbraw/zinc/16/88/05/717168805.db2.gz XEKPGPYLNRITOA-LHPFBNPSSA-N 2 0 723.018 6.902 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7N(C=C([C@@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000253995366 717169322 /nfs/dbraw/zinc/16/93/22/717169322.db2.gz MUQUYTSLDVKIOF-GKPDSUMNSA-N 2 0 666.910 5.476 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000253995369 717169589 /nfs/dbraw/zinc/16/95/89/717169589.db2.gz MUQUYTSLDVKIOF-HDYZRBELSA-N 2 0 666.910 5.476 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@@H](C[C@@H]41)[C@H](CC)C2)c1ccccc1[C@@]71CC[N@+]2(CC=C)C[C@@H](CCO)[C@@H]6C[C@@H]12 ZINC000299822335 717181045 /nfs/dbraw/zinc/18/10/45/717181045.db2.gz IEFISMAATDYLFR-JAXVRVFDSA-N 2 0 654.943 6.663 1 30 KKEFRP N#Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000003987152 561692952 /nfs/dbraw/zinc/69/29/52/561692952.db2.gz IDIWZIDMIGABIO-BHVANESWSA-N 2 0 609.601 7.982 1 30 KKEFRP C[C@@H]1C[NH2+][C@@H](C)CN1C(Nc1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1)=[NH+]C1CCCCC1 ZINC000013581446 561720101 /nfs/dbraw/zinc/72/01/01/561720101.db2.gz LKFLMXAGXFBGSV-VQTJNVASSA-N 2 0 530.544 5.749 1 30 KKEFRP C[NH+](C)CCC/[NH+]=C1\C[C@@H](c2cccc(Br)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027085390 561836194 /nfs/dbraw/zinc/83/61/94/561836194.db2.gz AZZHOTXPIMZWCS-BMJQMZGESA-N 2 0 502.840 5.126 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCCCC[NH+]1CCCCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2 ZINC000027086528 561836438 /nfs/dbraw/zinc/83/64/38/561836438.db2.gz MXKWUMBNDGSUQM-DRKOBAACSA-N 2 0 574.087 7.476 1 30 KKEFRP CC[NH+](CC)CCC/[NH+]=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091989 561837443 /nfs/dbraw/zinc/83/74/43/561837443.db2.gz UHPRXWKJDLMRRN-OCSYKJHCSA-N 2 0 519.995 6.162 1 30 KKEFRP O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1)[C@H](Cc1ccc2ccccc2c1)NC(NC1CCCCC1)=[NH+]C1CCCCC1 ZINC000027187333 561842790 /nfs/dbraw/zinc/84/27/90/561842790.db2.gz ZXWXGXKPUVYKPX-YBUKMOPRSA-N 2 0 695.996 8.363 1 30 KKEFRP C=CCC[NH+]1CCC(CCCn2c(COc3ccccc3)nc3c2cccc3OCCC[NH+]2CCCCC2)CC1 ZINC000027727958 561881182 /nfs/dbraw/zinc/88/11/82/561881182.db2.gz SAUORJSDTGQWBS-UHFFFAOYSA-N 2 0 544.784 6.938 1 30 KKEFRP C=C[C@@H]([NH3+])CCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCC[NH3+] ZINC000027852039 561886096 /nfs/dbraw/zinc/88/60/96/561886096.db2.gz PWQZSGACFSHZDF-QCJJXRIHSA-N 2 0 548.765 5.607 1 30 KKEFRP C=C[C@@H]([NH3+])CCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCC[NH3+] ZINC000027852032 561886099 /nfs/dbraw/zinc/88/60/99/561886099.db2.gz PWQZSGACFSHZDF-DDGWHDCDSA-N 2 0 548.765 5.607 1 30 KKEFRP N#Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000028224392 561907673 /nfs/dbraw/zinc/90/76/73/561907673.db2.gz FEGBXVNWDFYFQV-UHFFFAOYSA-N 2 0 537.729 6.807 1 30 KKEFRP O=C(CCCCCCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC(c1ccccc1)c1ccccc1)NO ZINC000029054683 561994718 /nfs/dbraw/zinc/99/47/18/561994718.db2.gz ZGESWGKPIJDLON-UHFFFAOYSA-N 2 0 538.777 5.301 1 30 KKEFRP N#Cc1cccc(-c2ccc([C@H]([NH2+]Cc3nc4cc(F)c(Cl)cc4[nH]3)C3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000038157866 562069770 /nfs/dbraw/zinc/06/97/70/562069770.db2.gz IFIJZCFVDUUXOH-HKBQPEDESA-N 2 0 528.075 6.847 1 30 KKEFRP CCCCCCC[NH+](CCCCCCC)CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000038158058 562070029 /nfs/dbraw/zinc/07/00/29/562070029.db2.gz VCWKVINQNPCMNX-UHFFFAOYSA-N 2 0 558.299 7.941 1 30 KKEFRP CCCCC[C@H](C=CC(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=[NH2+])NC)c(O)c(OC2(C[NH2+]C)CCCC2)c1 ZINC000085597043 560063262 /nfs/dbraw/zinc/06/32/62/560063262.db2.gz YOZAVRBTQDDFDF-RBZOQEBVSA-N 2 0 594.797 6.081 1 30 biogenic,in-vitro KKEFRP CCCC[C@H]([NH3+])CCC[C@@H]1c2cc3cc(CC=O)ccc3cc2C=C[C@H]1C[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+] ZINC000085510022 560074035 /nfs/dbraw/zinc/07/40/35/560074035.db2.gz OUHPMTHMWDNTBL-DJDUFMRASA-N 2 0 597.784 5.265 1 30 biogenic,in-vitro KKEFRP CCCC[C@H]([NH3+])CCC[C@H]1c2cc3ccccc3cc2[C@@H]2CC[C@@H]([C@@H](NC3=[NH+]CC=C3)C(=CC(=O)[O-])CNC(N)=[NH2+])[C@H]1C2 ZINC000085510073 560074082 /nfs/dbraw/zinc/07/40/82/560074082.db2.gz SPPRYKJCPVAZEC-GOCJSQBXSA-N 2 0 583.801 6.004 1 30 biogenic,in-vitro KKEFRP CCCCCCCCCCCCCCC(COC(=O)C[n+]1ccccc1)COC(=O)C[n+]1ccccc1 ZINC000043481808 562648695 /nfs/dbraw/zinc/64/86/95/562648695.db2.gz DQIZOAKVUINQDN-UHFFFAOYSA-N 2 0 512.735 5.756 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@](O)(C#C[C@](O)(c2ccc(C)cc2)c2ccc(OCC[NH+](CC)CC)cc2)c2ccc(C)cc2)cc1 ZINC000049613914 562666470 /nfs/dbraw/zinc/66/64/70/562666470.db2.gz YTWFKYRWNBZZAU-COCZKOEFSA-N 2 0 648.888 6.920 1 30 KKEFRP COc1ccc([C@@](C#N)(CCC[N@@H+](CCc2ccc(C)c(OC)c2)CC2=CC(C)(C)[NH2+]C2(C)C)C(C)C)cc1OC ZINC000049793605 562684990 /nfs/dbraw/zinc/68/49/90/562684990.db2.gz OJBLWTBFVWJEGT-PGUFJCEWSA-N 2 0 561.811 6.850 1 30 KKEFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCCC[NH3+])[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095541677 562756252 /nfs/dbraw/zinc/75/62/52/562756252.db2.gz KGVCQYGFCAZHMO-PMERELPUSA-N 2 0 762.825 5.203 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@](O)(C#C[C@](O)(c2ccc(Br)cc2)c2ccc(OCC[NH+](CC)CC)cc2)c2ccc(Br)cc2)cc1 ZINC000095543435 562757272 /nfs/dbraw/zinc/75/72/72/562757272.db2.gz DWHNWQOHRPIRKH-ZAQUEYBZSA-N 2 0 778.626 7.828 1 30 KKEFRP COc1ccc2c(c1OC(=O)CCCCCCCC(=O)Oc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000095550182 562759995 /nfs/dbraw/zinc/75/99/95/562759995.db2.gz XRFQIWFPICZYDD-WVLBPAQXSA-N 2 0 810.985 6.180 1 30 KKEFRP C#CC[N@@H+](C)[C@H](C)Cc1ccc(OCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)cc1 ZINC000095586535 562773986 /nfs/dbraw/zinc/77/39/86/562773986.db2.gz NXNSSEKZKUPRMX-AREMUKBSSA-N 2 0 546.199 8.095 1 30 KKEFRP CCCCCCCc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C[NH2+]Cc3ccc(CCCCCCC)cc3)C2)cc1 ZINC000095588810 562774755 /nfs/dbraw/zinc/77/47/55/562774755.db2.gz WGGBUUUEPSKVDZ-TYHGNQNSSA-N 2 0 518.874 9.398 1 30 KKEFRP COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCC[NH+]4CCCCCC4)c(OC)c3)C2=O)ccc1OCCCC[NH+]1CCCCCC1 ZINC000095593737 562776299 /nfs/dbraw/zinc/77/62/99/562776299.db2.gz IRHXVOMOVNMQBR-ZRBLUKEISA-N 2 0 658.924 8.604 1 30 KKEFRP CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CC[NH+]1CCC(N2CCC[C@H](CC(=O)C3CC[NH+](C)CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095610025 562784150 /nfs/dbraw/zinc/78/41/50/562784150.db2.gz MMQQJJVJGAXMEE-RDHZMJEBSA-N 2 0 781.653 7.553 1 30 KKEFRP CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CC[NH+]1CCC(N2CCC[C@@H](CC(=O)[S+]3CC[NH2+]CC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000095614805 562786882 /nfs/dbraw/zinc/78/68/82/562786882.db2.gz QOBSQVPUXRQIEE-KYAYPKHLSA-N 3 0 786.674 6.390 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=S)NCCCN3CC[NH+](C4CCCCC4)CC3)c2)C1C(=O)OC ZINC000100040188 562806294 /nfs/dbraw/zinc/80/62/94/562806294.db2.gz QCNFVFRZRPUYAO-NPAJZZOTSA-N 2 0 583.799 5.146 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2ccc(OC)cc2)=CC1=O)Cc1ccc(OC)cc1 ZINC000101107561 562809208 /nfs/dbraw/zinc/80/92/08/562809208.db2.gz KJZRQUDVRXBXSS-UHFFFAOYSA-N 2 0 632.890 6.267 1 30 KKEFRP CC[NH+](CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](CC)Cc2cccc(OC)c2)=CC1=O)Cc1cccc(OC)c1 ZINC000101149156 562809534 /nfs/dbraw/zinc/80/95/34/562809534.db2.gz WDAJTWMMIMSMEW-UHFFFAOYSA-N 2 0 632.890 6.267 1 30 KKEFRP c1ccc2c(c1)[nH]c1c2ccnc1[C@@H]1[C@@H]2O[C@@]23CC/C=C\CCCC[N@@H+]2CC[C@@H]1[C@@]1(C2)CC/C=C\CCCC[NH2+][C@@H]31 ZINC000102166063 562812770 /nfs/dbraw/zinc/81/27/70/562812770.db2.gz VLWWSOADVQPMJO-ZOSDTVTQSA-N 2 0 550.791 7.258 1 30 KKEFRP CC[C@H](C)NC(=[NH2+])c1cccc(OCc2ccc3ccc(COc4cccc(C(=[NH2+])N[C@@H](C)CC)c4)cc3c2)c1 ZINC000139812820 562832788 /nfs/dbraw/zinc/83/27/88/562832788.db2.gz GQLGFYZNWJTXCZ-ZEQRLZLVSA-N 2 0 536.720 7.005 1 30 KKEFRP C=C[C@]12C=C[C@H](c3cc4c(cc3O)NC3=C(C(=O)OC)C[C@]5(CC)C=CC[NH+]6CC[C@]43[C@@H]65)[N@@H+]3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32 ZINC000150596028 562846627 /nfs/dbraw/zinc/84/66/27/562846627.db2.gz AXXGCYQJMBDANR-UKBNPBOMSA-N 2 0 700.836 5.238 1 30 KKEFRP O=C1C=C(NCCC[NH2+]CCCNc2ccnc3cc(Cl)ccc32)C(=O)C=C1NCCC[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000150600090 562847086 /nfs/dbraw/zinc/84/70/86/562847086.db2.gz IVITUIZBXHPNDJ-UHFFFAOYSA-N 2 0 689.692 5.452 1 30 KKEFRP CCOC(=O)[C@@H]1CCC[N@H+](CC2CC[NH+](CC[C@@H](/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000169327437 562858089 /nfs/dbraw/zinc/85/80/89/562858089.db2.gz DLNVCYVSPSXJST-UGZFEBEPSA-N 2 0 754.640 8.711 1 30 KKEFRP CNC(=[NH2+])Nc1cc(C[C@H](C=CC(=O)CCc2ccc(O)c(OC)c2)[C@H](C)CCCC(C)C)cc(OC2(C[NH2+]C)CCCC2)c1O ZINC000085597012 565156695 /nfs/dbraw/zinc/15/66/95/565156695.db2.gz VVGJCPBWSSMGRY-MQKDPODWSA-N 2 0 636.878 6.963 1 30 biogenic,in-vitro KKEFRP CNC(=[NH2+])Nc1cc(C[C@H](C=CC(=O)CCc2ccc(O)c(OC)c2)[C@H](C)CCC[C@H](C)CC[NH2+]C)cc(OCC[NH2+]C)c1O ZINC000085597039 565156711 /nfs/dbraw/zinc/15/67/11/565156711.db2.gz FIBPBHPUHWBQCL-DJVNQDJYSA-N 3 0 625.855 5.239 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@H](C)CCCCCC(=O)C=C(O)C=C(CO)c1cc(OC)c(O)cc1Cc1c[nH+]c(N)cc1CCc1ccccc1 ZINC000085630525 565162949 /nfs/dbraw/zinc/16/29/49/565162949.db2.gz DDTPCQNEZKGRMC-OJANRJRPSA-N 2 0 601.788 5.464 1 30 biogenic,in-vitro KKEFRP CCc1c[nH+]c(N)cc1CC[C@H](O)CC[C@@H]1C#C[C@H]([C@H](O)CCCC[C@@H]2C[NH2+][C@@H]3CC(=O)CC[C@@H]3C2)C(=O)CCc2cc(OC)c(O)cc21 ZINC000085631122 565163439 /nfs/dbraw/zinc/16/34/39/565163439.db2.gz BNIOGGSHGCSUQP-QULABYDZSA-N 2 0 673.895 5.201 1 30 biogenic,in-vitro KKEFRP C=CC[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N+]5(CC=C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2 ZINC000095540020 717138819 /nfs/dbraw/zinc/13/88/19/717138819.db2.gz QHANGNNUHVLRLX-IOXDAZPASA-N 2 0 668.926 6.033 1 30 KKEFRP C=CC[N+]12CC[C@@]34c5ccccc5N5C=C6[C@@H]7N(c8ccccc8[C@@]78CC[N+]7(CC=C)C/C(=C/CO)[C@@H]6C[C@@H]87)[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 ZINC000169356354 717156129 /nfs/dbraw/zinc/15/61/29/717156129.db2.gz KPXQYLXOSUNABC-ZQCGHPJCSA-N 2 0 666.910 5.572 1 30 KKEFRP C=CC[N@@+]12CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@@H]53)[C@@H](C[C@@H]41)/C(=C\CO)C2)c1ccccc1[C@@]71CC[N@@+]2(CC=C)C/C(=C\CO)[C@@H]6C[C@@H]12 ZINC000253995371 717169483 /nfs/dbraw/zinc/16/94/83/717169483.db2.gz MUQUYTSLDVKIOF-WPBRZALISA-N 2 0 666.910 5.476 1 30 KKEFRP N#Cc1cccc(-c2ccc3c(c2)CC[N@@H+](CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CC[NH+](CCCCCO)CC2)c1 ZINC000003987154 561692963 /nfs/dbraw/zinc/69/29/63/561692963.db2.gz PAKQKODTRSUOFG-UMSFTDKQSA-N 2 0 605.610 6.945 1 30 KKEFRP C[C@@H]1CN(C(Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)=[NH+]C2CCCCC2)C[C@@H](C)[NH2+]1 ZINC000013581448 561720041 /nfs/dbraw/zinc/72/00/41/561720041.db2.gz QDDPPGFVMRPNTQ-WOJBJXKFSA-N 2 0 530.544 5.749 1 30 KKEFRP CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CC[NH+]1CCC(N2CCCN(CC(=[NH2+])NO)C2=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026403944 561789168 /nfs/dbraw/zinc/78/91/68/561789168.db2.gz WBTKINCCINTBEY-KFZUGWGMSA-N 2 0 715.510 6.097 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCC[NH+]1CCCC1)C[C@@H](c1cccc(C(F)(F)F)c1)C2 ZINC000027086223 561836380 /nfs/dbraw/zinc/83/63/80/561836380.db2.gz UGSWODAVJICNSP-AXQQZXIPSA-N 2 0 532.006 6.306 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCCCCC[NH+]1CCCCC1)C[C@H](c1cccc(C(F)(F)F)c1)C2 ZINC000027086520 561836499 /nfs/dbraw/zinc/83/64/99/561836499.db2.gz MXKWUMBNDGSUQM-KWGJLXHSSA-N 2 0 574.087 7.476 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[N@@H+]2CCC[C@@H](CO)C2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027551925 561868169 /nfs/dbraw/zinc/86/81/69/561868169.db2.gz IEBPGZDVZLOWFP-AVPZYALRSA-N 2 0 712.603 8.140 1 30 KKEFRP COc1cc(C(=[NH2+])NC2CCC(CC3CCC(NC(=[NH2+])c4ccc(OCc5ccccc5)c(OC)c4)CC3)CC2)ccc1OCc1ccccc1 ZINC000028462500 561925496 /nfs/dbraw/zinc/92/54/96/561925496.db2.gz MZBNAQKRINJZSF-UHFFFAOYSA-N 2 0 688.913 8.690 1 30 KKEFRP C=CCCCCCC[n+]1cccc(CCCCCCCCCCCCC[n+]2cccc(CCCCC=C)c2)c1 ZINC000028643887 561944248 /nfs/dbraw/zinc/94/42/48/561944248.db2.gz KAXACDBGZXDTRC-UHFFFAOYSA-N 2 0 532.901 9.831 1 30 KKEFRP C=CCCCCCC[n+]1cccc(CCCCCCCCCCCC[n+]2cccc(CCCC=C)c2)c1 ZINC000028644543 561944350 /nfs/dbraw/zinc/94/43/50/561944350.db2.gz MFLWWIMYHTZJAJ-UHFFFAOYSA-N 2 0 504.847 9.051 1 30 KKEFRP NC(=[NH2+])Nc1nc([C@H](CC[NH+]2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702826 561947307 /nfs/dbraw/zinc/94/73/07/561947307.db2.gz WMZBGVXJAMWDEI-QFIPXVFZSA-N 2 0 612.644 5.755 1 30 KKEFRP C[NH2+]CC1(Oc2cc(CCC=CC(=O)CCc3ccc(O)c(OC)c3)cc(NC(=[NH2+])NC3CCCCC3)c2O)CCCC1 ZINC000085597069 560063207 /nfs/dbraw/zinc/06/32/07/560063207.db2.gz CPTHTJGLQRMYHK-NTUHNPAUSA-N 2 0 592.781 5.977 1 30 biogenic,in-vitro KKEFRP C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@]56[C@@H]7C[C@H](O)[C@@H]([NH2+]C[C@H](C)O)C[C@H]7C[C@H]5C[C@@H](CC3)[C@@]6(C)[NH2+]4)=CC(C)=C2C1 ZINC000085549986 560071840 /nfs/dbraw/zinc/07/18/40/560071840.db2.gz GJVQQQVHMUHLQH-MTJKKJKWSA-N 2 0 546.840 6.219 1 30 biogenic,in-vitro KKEFRP C[C@@H](C[NH+]1CCC(c2ccccc2)CC1)[C@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000043532220 562649271 /nfs/dbraw/zinc/64/92/71/562649271.db2.gz SEUASQXSMHDBLG-LGGPFLRQSA-N 2 0 566.605 8.252 1 30 KKEFRP C=CCOc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OCC=C)ccc2ccccc21 ZINC000045202446 562659152 /nfs/dbraw/zinc/65/91/52/562659152.db2.gz NMLBULRWSBNZTK-UHFFFAOYSA-N 2 0 508.706 7.562 1 30 KKEFRP CCC[P+](CCC)(CCC)Cc1ccc(C(=O)c2ccc(C[P+](CCC)(CCC)CCC)cc2)cc1 ZINC000045388817 562662444 /nfs/dbraw/zinc/66/24/44/562662444.db2.gz GVBAROXMVFZYFV-UHFFFAOYSA-N 2 0 528.742 10.413 1 30 KKEFRP CCN(CC)C(NC(=[NH2+])Nc1ccc(Cl)cc1)=[NH+]CCCCCCCC[NH+]=C(NC(=[NH2+])Nc1ccc(Cl)cc1)N(CC)CC ZINC000049605497 562665946 /nfs/dbraw/zinc/66/59/46/562665946.db2.gz FPYOTUZPUYBOBM-UHFFFAOYSA-N 4 0 645.728 7.302 1 30 KKEFRP CC(C)C[NH+](CCNC(=S)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCC[NH+](CC(C)C)CC(C)C)c2ccccc12)CC(C)C ZINC000049902639 562693394 /nfs/dbraw/zinc/69/33/94/562693394.db2.gz QOUWEHFQFTZWRR-IFQUFVRCSA-N 2 0 691.072 6.817 1 30 KKEFRP CCCCCCCCCCCCCCC(COC(=O)C[n+]1ccccc1)(COC(=O)C[n+]1ccccc1)COC(=O)C[n+]1ccccc1 ZINC000049933388 562694892 /nfs/dbraw/zinc/69/48/92/562694892.db2.gz DBHNQOCDBZMFKG-UHFFFAOYSA-N 3 0 662.892 5.657 1 30 KKEFRP C=C(C[NH2+]CCO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H]([NH3+])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000064361393 562704826 /nfs/dbraw/zinc/70/48/26/562704826.db2.gz NUMDCZFKPVPXKE-QATLPOCJSA-N 2 0 500.812 5.526 1 30 KKEFRP CCCCCCCCCCCCCCCCCC[C@H]([NH3+])C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573338 562708693 /nfs/dbraw/zinc/70/86/93/562708693.db2.gz HCWOHFLLZXLXPG-HKBQPEDESA-N 2 0 518.851 7.632 1 30 KKEFRP C[NH+](C)CCCO/N=C1\c2cc(O)ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCCC[NH+](C)C)cc1 ZINC000082157242 562740861 /nfs/dbraw/zinc/74/08/61/562740861.db2.gz ORHPOPOQWJUEGH-LVYIWIAJSA-N 2 0 542.655 5.778 1 30 KKEFRP COc1ccc2c(c1OCCCCOc1c(OC)ccc3c1[C@@]14CC[N@H+](C)[C@@H](C3)[C@H]1C=C(OC)C(=O)C4)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000082178713 562741770 /nfs/dbraw/zinc/74/17/70/562741770.db2.gz VWNSBGNNWAMKGF-XLASSFDUSA-N 2 0 712.884 5.176 1 30 KKEFRP NC(=[NH2+])c1cccc(C2CCN(C(=O)c3cccc(C#CC#Cc4cccc(C(=O)N5CCC(c6cccc(C(N)=[NH2+])c6)CC5)c4)c3)CC2)c1 ZINC000084616072 562744575 /nfs/dbraw/zinc/74/45/75/562744575.db2.gz FYUMJMQRNYFXIH-UHFFFAOYSA-N 2 0 660.822 5.698 1 30 KKEFRP CC(C)(C)OC(=O)N[C@@H](CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CC[NH+](CCCC[n+]2c3ccccc3sc3cc(=NN=N)ccc2-3)CC1 ZINC000095550454 562760212 /nfs/dbraw/zinc/76/02/12/562760212.db2.gz HYJPZDPATAQIEB-UMSFTDKQSA-N 2 0 778.017 9.213 1 30 KKEFRP Cc1ccccc1Cn1cc(C[NH+]2CCCC2)c2ccc(NC(=O)N[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)cc21 ZINC000095557992 562762277 /nfs/dbraw/zinc/76/22/77/562762277.db2.gz OJLSHBNBEKODNA-YDAXCOIMSA-N 2 0 800.965 5.090 1 30 KKEFRP CCOC(=O)[C@@H]1CCC[N@H+](CC2CC[NH+](CC[C@H](/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000095558043 562762344 /nfs/dbraw/zinc/76/23/44/562762344.db2.gz DLNVCYVSPSXJST-YSWMGILZSA-N 2 0 754.640 8.711 1 30 KKEFRP COc1cc(/C=C2\CCC/C(=C\c3ccc(OCCC[NH+]4CCCCC4)c(OC)c3)C2=O)ccc1OCCC[NH+]1CCCCC1 ZINC000095593254 562776199 /nfs/dbraw/zinc/77/61/99/562776199.db2.gz PVJVKCXLMOTDCE-RPZUVYPISA-N 2 0 616.843 7.433 1 30 KKEFRP O=C1/C(=C/c2ccc(OCCCC[NH+]3CCOCC3)cc2)CC/C1=C\c1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000095595317 562776692 /nfs/dbraw/zinc/77/66/92/562776692.db2.gz KVAXLQRMQCOGSS-WWQQVGJXSA-N 2 0 574.762 5.499 1 30 KKEFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)cc4)cc3)cc2)c1 ZINC000095890976 562790187 /nfs/dbraw/zinc/79/01/87/562790187.db2.gz GULCZZIOXVALTP-UHFFFAOYSA-P 2 0 642.760 6.475 1 30 KKEFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=S)NCCC[NH+]3CCC(c4cccc(OC)c4)CC3)c2)C1C(=O)OC ZINC000100040194 562806301 /nfs/dbraw/zinc/80/63/01/562806301.db2.gz DKRKVNNABQANQQ-RFRSNRLQSA-N 2 0 606.789 6.084 1 30 KKEFRP COc1ccccc1C[NH+](C)CCCCCCNC1=CC(=O)C(NCCCCCC[N@@H+](C)Cc2ccccc2OC)=CC1=O ZINC000101109875 562809242 /nfs/dbraw/zinc/80/92/42/562809242.db2.gz MMZMCKHUJWUWHI-UHFFFAOYSA-N 2 0 604.836 5.487 1 30 KKEFRP C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000103266405 562822278 /nfs/dbraw/zinc/82/22/78/562822278.db2.gz CNGHSLBUOLWITH-UHFFFAOYSA-N 2 0 576.782 5.073 1 30 KKEFRP CC[NH+](CCCCCCNC1=C(F)C(=O)C(NCCCCCC[N@@H+](CC)Cc2ccccc2OC)=C(F)C1=O)Cc1ccccc1OC ZINC000150541839 562844242 /nfs/dbraw/zinc/84/42/42/562844242.db2.gz IXPJIDYZLDKESL-UHFFFAOYSA-N 2 0 668.870 6.862 1 30 KKEFRP CCCCCCCCOc1c(OC)cc(N[C@@H](C)CCC[NH2+][C@@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000169321343 562856633 /nfs/dbraw/zinc/85/66/33/562856633.db2.gz SEKGOJOWVNAQCB-ZEQRLZLVSA-N 2 0 500.772 6.843 1 30 KKEFRP C#Cc1ccc2[nH]c3c(c2c1)C[N@H+]1CC(CC)=C[C@@H](C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]23CC[NH+]2C=CC[C@](CC)([C@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC ZINC000169369300 562864688 /nfs/dbraw/zinc/86/46/88/562864688.db2.gz MJNJPLCWFQEWLY-YXRHGRAISA-N 2 0 802.969 5.083 1 30 KKEFRP C(#Cc1ccc(Cn2c[n+](-c3cccc(-[n+]4cn(Cc5ccc(C#Cc6ccccc6)cc5)c5ccccc54)n3)c3ccccc32)cc1)c1ccccc1 ZINC000299844582 562889354 /nfs/dbraw/zinc/88/93/54/562889354.db2.gz HTMCBFQZDKXKMZ-UHFFFAOYSA-N 2 0 693.854 8.441 1 30 KKEFRP C=CC[N@@+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@+]5(CC=C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2 ZINC000253917891 717168986 /nfs/dbraw/zinc/16/89/86/717168986.db2.gz QHANGNNUHVLRLX-VBLMWIJDSA-N 2 0 668.926 6.033 1 30 KKEFRP C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@H]3CC[C@@H]4C[C@@H]5C[C@H]6C[C@@H]([NH2+]C[C@H](C)O)[C@H](O)C[C@H]6[C@@H]5[C@]4(C)[NH2+]3)=CC(C)=C2C1 ZINC000085549958 291890150 /nfs/dbraw/zinc/89/01/50/291890150.db2.gz LIMXQBGCOHCKMW-UUDFLUMRSA-N 2 0 522.818 5.908 1 30 biogenic,in-vitro KKEFRP CCCC[C@H]([NH3+])CCC[C@H]1c2cc3cc(CC=O)ccc3cc2CC[C@@H]1C[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])CNC(N)=[NH2+] ZINC000085510029 291936813 /nfs/dbraw/zinc/93/68/13/291936813.db2.gz REIQQKAUYAMGJO-TVYTUGKISA-N 2 0 599.800 5.184 1 30 biogenic,in-vitro KKEFRP COc1cc([C@H]2Cc3c(c(=O)c4cc(Cl)ccc4n3O)/C(=[NH+]/CCC[NH+]3CCCCC3)C2)cc(OC)c1OC ZINC000027087789 561836765 /nfs/dbraw/zinc/83/67/65/561836765.db2.gz OBQWILWBTBXBKC-JBQGOVATSA-N 2 0 554.087 5.313 1 30 KKEFRP O=c1c2cc(Cl)ccc2n(O)c2c1/C(=[NH+]/CCC[NH+]1CCCC1)C[C@@H](c1ccc(C(F)(F)F)cc1)C2 ZINC000027090282 561837149 /nfs/dbraw/zinc/83/71/49/561837149.db2.gz ZFOQTWGJCURXLI-OCSYKJHCSA-N 2 0 517.979 5.916 1 30 KKEFRP CC[NH+](CC)C1CCC(/[NH+]=C2\C[C@@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1 ZINC000027092248 561837441 /nfs/dbraw/zinc/83/74/41/561837441.db2.gz GVJJHURYTJCUBE-LGKYDEMVSA-N 2 0 560.953 7.371 1 30 KKEFRP O=C([C@H](Cc1ccc2ccccc2c1)NC(NC1CCCCC1)=[NH+]C1CCCCC1)N(Cc1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000027187303 561842854 /nfs/dbraw/zinc/84/28/54/561842854.db2.gz DTGUAPQTFGCOSV-QPPIDDCLSA-N 2 0 619.898 7.075 1 30 KKEFRP CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(NC(C)C)=[NH+]C(C)C)cc1 ZINC000027187995 561842927 /nfs/dbraw/zinc/84/29/27/561842927.db2.gz CJUJGSVHEABMSQ-QNGWXLTQSA-O 2 0 631.910 9.660 1 30 KKEFRP CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(C[NH2+]C2(CO)CCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000027555658 561869456 /nfs/dbraw/zinc/86/94/56/561869456.db2.gz DBLIVDPSCFDYOT-SHEWDAGVSA-N 2 0 712.603 8.331 1 30 KKEFRP C=C[C@H]([NH3+])CCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCC[NH3+] ZINC000027852017 561886117 /nfs/dbraw/zinc/88/61/17/561886117.db2.gz PWQZSGACFSHZDF-CCISBBCCSA-N 2 0 548.765 5.607 1 30 KKEFRP Cc1c2[nH]c3ccc(O)cc3c2c(C)c2c[n+](CC(=O)NCCCCC[NH2+]CCOc3ccc(/C(=C(/Cl)c4ccccc4)c4ccccc4)cc3)ccc12 ZINC000027862796 561887297 /nfs/dbraw/zinc/88/72/97/561887297.db2.gz UQJKILNPKBFQLD-JQOKOOLQSA-O 2 0 738.352 9.195 1 30 KKEFRP CN(C/C(=N\OCCN1CC[NH2+]CC1)[C@H](CC[NH+]1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000027884338 561889324 /nfs/dbraw/zinc/88/93/24/561889324.db2.gz GTFKLIDYRPSITH-KADXFBGESA-N 2 0 740.604 6.301 1 30 KKEFRP C=CCCCCCC[n+]1cccc(CCCCCCCCCCCC[n+]2cccc(CCCCC=C)c2)c1 ZINC000028644660 561944365 /nfs/dbraw/zinc/94/43/65/561944365.db2.gz OYMYAUNGVBPOMQ-UHFFFAOYSA-N 2 0 518.874 9.441 1 30 KKEFRP CS(=O)(=O)O[C@@H](c1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1)c1cccc(Cl)c1 ZINC000028822340 561966897 /nfs/dbraw/zinc/96/68/97/561966897.db2.gz TTXXRKZONXXSJF-UMSFTDKQSA-N 2 0 670.707 6.207 1 30 KKEFRP C[N+]1(CCCC[n+]2c3ccccc3sc3cc(=NN=N)ccc2-3)CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000029493263 562029366 /nfs/dbraw/zinc/02/93/66/562029366.db2.gz NFMHZGZRBXWXBC-UHFFFAOYSA-O 2 0 688.878 7.280 1 30 KKEFRP CCNC(NCc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(NC2CCCCC2)=[NH+]C2CCCCC2)cc1)=[NH+]CC ZINC000029561026 562033212 /nfs/dbraw/zinc/03/32/12/562033212.db2.gz PKJCAAZHTMYOEX-DHUJRADRSA-N 2 0 623.890 6.665 1 30 KKEFRP C[C@H](C[C@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)[NH+]1CCC(c2ccccc2)CC1 ZINC000034804228 562043080 /nfs/dbraw/zinc/04/30/80/562043080.db2.gz XJETUGVIFZBZDZ-QFQXNSOFSA-N 2 0 566.605 8.395 1 30 KKEFRP N#Cc1ccc(NC(=O)c2cc[n+](CCCCCCCCCC[n+]3ccc(C(=O)Nc4ccc(C#N)cc4)cc3)cc2)cc1 ZINC000042806985 562089966 /nfs/dbraw/zinc/08/99/66/562089966.db2.gz NFSBTPILEXIGMO-UHFFFAOYSA-P 2 0 586.740 7.099 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@@](O)(C#C[C@@](O)(c2ccc(OCC[NH+](CC)CC)cc2)c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049604905 562665084 /nfs/dbraw/zinc/66/50/84/562665084.db2.gz KGSDCBAXNZVXOU-LQDDJWCHSA-N 2 0 710.828 6.120 1 30 KKEFRP CCCCCCC[N@@H+]1CC[C@@H](CCCc2ccnc3ccc(OCCN4CC[NH2+]CC4)cc23)[C@@H](CC)C1 ZINC000049605510 562665950 /nfs/dbraw/zinc/66/59/50/562665950.db2.gz FDSDZGANFALLBA-WUFINQPMSA-N 2 0 508.795 6.160 1 30 KKEFRP COc1ccccc1C[NH+]1CCC([C@H]2c3ccc(-c4cccc(C#N)c4)cc3CC[N@H+]2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049780093 562681375 /nfs/dbraw/zinc/68/13/75/562681375.db2.gz KVIOSCVDMHFZSC-QNGWXLTQSA-N 2 0 639.627 7.991 1 30 KKEFRP C=C(C[NH2+]CCO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H]([NH3+])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058575679 562699645 /nfs/dbraw/zinc/69/96/45/562699645.db2.gz NUMDCZFKPVPXKE-VFUWXHBOSA-N 2 0 500.812 5.526 1 30 KKEFRP CCCCCCCCCCCCCCCCCC[C@@H]([NH3+])C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573340 562708668 /nfs/dbraw/zinc/70/86/68/562708668.db2.gz HCWOHFLLZXLXPG-WJOKGBTCSA-N 2 0 518.851 7.632 1 30 KKEFRP CC[NH+](CC)CCOc1ccc([C@](O)(C#C[C@@](O)(c2ccc(Br)cc2)c2ccc(OCC[NH+](CC)CC)cc2)c2ccc(Br)cc2)cc1 ZINC000095543434 562757273 /nfs/dbraw/zinc/75/72/73/562757273.db2.gz DWHNWQOHRPIRKH-LQDDJWCHSA-N 2 0 778.626 7.828 1 30 KKEFRP NC(=O)[C@H](Cc1c2ccccc2[nH]c1Sc1ccccc1[N+](=O)[O-])NC(=O)[C@H](CCCC[NH+]=C(N1CCCC1)N1CCCC1)[NH+]=C(N1CCCC1)N1CCCC1 ZINC000095548763 562759450 /nfs/dbraw/zinc/75/94/50/562759450.db2.gz UIHXSQSLCZNPPT-HEVIKAOCSA-N 2 0 785.032 5.374 1 30 KKEFRP NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C[NH2+]Cc5ccc(Cl)cc5)cc4)c3)nn2CCC[NH+]2CCCCC2)C1 ZINC000095595643 562776771 /nfs/dbraw/zinc/77/67/71/562776771.db2.gz CSROLUABTPSTFR-UHFFFAOYSA-N 2 0 683.684 5.793 1 30 KKEFRP COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCCn4ccnc4)c(OC)c3)C2=O)ccc1OCCCCn1ccnc1 ZINC000095598288 562777386 /nfs/dbraw/zinc/77/73/86/562777386.db2.gz WCNQELMFWPMYAZ-VFIVCBTMSA-N 2 0 596.728 6.645 1 30 KKEFRP Oc1cccc2c3ccnc([C@@H]4[C@@H]5O[C@@]56CC/C=C\CCCC[N@@H+]5CC[C@@H]4[C@@]4(C5)CC/C=C\CCCC[NH2+][C@@H]64)c3[nH]c21 ZINC000102167504 562812820 /nfs/dbraw/zinc/81/28/20/562812820.db2.gz QKBZTZVPMNKKGN-QFQJZDFCSA-N 2 0 566.790 6.964 1 30 KKEFRP O=C1C=C(NCCNc2c3ccccc3[nH+]c3c2CCCC3)C(=O)C=C1NCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000102254751 562813037 /nfs/dbraw/zinc/81/30/37/562813037.db2.gz IPAMZWNWTLMCKT-UHFFFAOYSA-N 2 0 586.740 5.163 1 30 KKEFRP C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C[N@H+](C)CCC[C@@]3(c4ccc(F)cc4)OCc4cc(C#N)ccc43)ccc21 ZINC000103245762 562819803 /nfs/dbraw/zinc/81/98/03/562819803.db2.gz PVWATSQEKUHFAQ-RGULYWFUSA-N 2 0 621.772 7.638 1 30 KKEFRP CCCCCCCN1C(N)=[NH+]C[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CCc2cccc(Br)c2)C1=[NH2+] ZINC000103251691 562820401 /nfs/dbraw/zinc/82/04/01/562820401.db2.gz KJWRUZWDWGKWLC-XZWHSSHBSA-N 2 0 595.674 6.505 1 30 KKEFRP CCCCCCCCCCN(Cc1c2ccccc2c(Cl)c2ccccc21)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000103256882 562820896 /nfs/dbraw/zinc/82/08/96/562820896.db2.gz AAOOEAPMLUGBQU-LJAQVGFWSA-N 2 0 510.166 7.572 1 30 KKEFRP COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OC(=O)CC[NH2+]C34CC5CC(CC(C5)C3)C4)c(OC)c2)ccc1OC(=O)CC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000150609097 562848203 /nfs/dbraw/zinc/84/82/03/562848203.db2.gz KBUQBEMVFXNYAX-FCXRPNKRSA-N 2 0 778.987 7.667 1 30 KKEFRP CC[NH+](CC)CCC/N=C(/[NH+]=c1\ccn(CCC[NH+](CC)CC)c2cc(Cl)ccc21)c1cccnc1 ZINC000299856620 562891985 /nfs/dbraw/zinc/89/19/85/562891985.db2.gz CYHRTZHCLMILPI-FQVGSEPMSA-N 3 0 509.142 5.501 1 30 KKEFRP CCOC(=O)C1(c2ccccc2)CC[NH+](CCCCCOc2ccc3c(c2)C(=O)/C(=C/c2ccc(C[N@H+](C)Cc4ccccc4)cc2)C3)CC1 ZINC000473247153 562904956 /nfs/dbraw/zinc/90/49/56/562904956.db2.gz ALDRVRZUYXXEDQ-DMFHDPHMSA-N 2 0 670.894 8.287 1 30 KKEFRP CC[NH+](CC)CCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCCC[NH+](CC)CC)c(OC)c3)C2=O)cc1OC ZINC000653755630 562910884 /nfs/dbraw/zinc/91/08/84/562910884.db2.gz KVVOOFYABMDFCA-AMLXCYGQSA-N 2 0 592.821 7.145 1 30 KKEFRP CNC(=[NH2+])Nc1cc(CCC=CC(=O)CCc2ccc(O)c(OC)c2)cc(O[C@]2(C[NH2+]C)CC[C@@H](CCOC3CCCCC3)C2)c1O ZINC000085597030 565156706 /nfs/dbraw/zinc/15/67/06/565156706.db2.gz NVTWSTYJEZVTIK-RDUTVLHOSA-N 2 0 650.861 6.240 1 30 biogenic,in-vitro KKEFRP CC[C@@]1(CNC(=[NH2+])NC2CCCCC2)C#C[C@H]2CCC[C@H]3C[C@@H](CC[NH2+]3)Oc3cc(ccc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628059 565161177 /nfs/dbraw/zinc/16/11/77/565161177.db2.gz PMWDVQXAXHVWMX-ZWGPRXBYSA-N 2 0 636.878 5.173 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@H](C)CCCCCC(=O)C=C(O)C=Cc1cc(OC)c(O)cc1Cc1c[nH+]c(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630436 565162897 /nfs/dbraw/zinc/16/28/97/565162897.db2.gz MTMZCDCBYHVWDH-QOCKYVPWSA-N 2 0 675.914 7.887 1 30 biogenic,in-vitro KKEFRP C[NH2+]C[C@H](C)CCCCCC(=O)C=C(O)C=Cc1cc(OCO)c(O)cc1Cc1c[nH+]c(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630420 565163159 /nfs/dbraw/zinc/16/31/59/565163159.db2.gz RSNICSZQORUDTB-UKVQCBHUSA-N 2 0 691.913 7.207 1 30 biogenic,in-vitro KKEFRP COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1cc[nH+]c(N)c1)C#C[C@H]([C@H](O)CCCC1([C@@H]3C[NH2+][C@@H]4CC(=O)CC[C@@H]4C3)CCCC1)C(=O)CC2 ZINC000085631099 565163471 /nfs/dbraw/zinc/16/34/71/565163471.db2.gz YFUYLJIDARFQTB-VPCALRQASA-N 2 0 699.933 5.809 1 30 biogenic,in-vitro KKEFRP C=CC[N@@+]12CC[C@]34c5cc(C)c(C)cc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3cc(C)c(C)cc3[C@@]34CC[N@+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@@H]13)[C@H]7C[C@@H]46)C2 ZINC000253783217 717168765 /nfs/dbraw/zinc/16/87/65/717168765.db2.gz XEKPGPYLNRITOA-ZFIAARNZSA-N 2 0 723.018 6.902 1 30 KKEFRP