smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1[C@H](O)CC[C@H]2C[C@H](CCCCCCC[C@](O)(C[NH2+]C3(C)CC[NH2+]CC3)CC(=O)[O-])C=C[N@H+]12 ZINC000103573002 560051973 /nfs/dbraw/zinc/05/19/73/560051973.db2.gz POHFZKBODZIYAK-WVBYHWPDSA-N 2 0 479.706 3.402 1 0 biogenic,in-vitro JGAFRP C[NH+](CCO)CCCCOc1ccc2c(c1)C(=O)c1cc(OCCCC[N@H+](C)CCO)ccc1-2 ZINC000004258155 562933018 /nfs/dbraw/zinc/93/30/18/562933018.db2.gz HGLLGBIOOYXTHV-UHFFFAOYSA-N 2 0 470.610 3.064 1 0 JGAFRP OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 ZINC000013802538 562994560 /nfs/dbraw/zinc/99/45/60/562994560.db2.gz GDIIVCHUJPZCJM-XMMPIXPASA-N 2 0 458.610 3.339 1 0 JGAFRP CC[NH+](CC)CCOc1ccc(-c2cc(C(=O)N[C@@H]3CCC[NH2+]C3)c(NC(N)=O)s2)cc1 ZINC000013980174 563005162 /nfs/dbraw/zinc/00/51/62/563005162.db2.gz BFMPGPHQNHTROH-QGZVFWFLSA-N 2 0 459.616 3.108 1 0 JGAFRP COc1ccc(C[N@@H+]2CCOc3ccc(CN4CC[NH+](CCO)CC4)cc3C2)c2ccccc12 ZINC000020203017 563015873 /nfs/dbraw/zinc/01/58/73/563015873.db2.gz XFFOXRMVMZUMLF-UHFFFAOYSA-N 2 0 461.606 3.353 1 0 JGAFRP COc1ccc(OC)c(S(=O)(=O)N2CCC([N@H+](C)Cc3ccc4ccc(C(N)=[NH2+])cc4c3)CC2)c1 ZINC000028714214 563077473 /nfs/dbraw/zinc/07/74/73/563077473.db2.gz BAWYYLRXVQVVLL-UHFFFAOYSA-N 2 0 496.633 3.426 1 0 JGAFRP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975216 563090081 /nfs/dbraw/zinc/09/00/81/563090081.db2.gz XLRNYRPKEKOVGJ-QKNQBKEWSA-N 2 0 473.618 3.457 1 0 JGAFRP CCOC(=O)[C@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(OC2CCN(C(C)=[NH2+])CC2)cc1 ZINC000034689181 563114616 /nfs/dbraw/zinc/11/46/16/563114616.db2.gz IPFYCMPFMMRMFR-RUZDIDTESA-N 2 0 493.608 3.462 1 0 JGAFRP C[C@@H](C[NH2+]Cc1ccccc1)N1C[C@H](CCCNC(N)=[NH2+])N(CCc2cccc(F)c2)C1=S ZINC000043203998 563168668 /nfs/dbraw/zinc/16/86/68/563168668.db2.gz DSJVYEAOYVHUJW-CVDCTZTESA-N 2 0 470.662 3.081 1 0 in-vitro JGAFRP COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC1CC[NH+](C)CC1)[NH2+]C2 ZINC000058574949 563207620 /nfs/dbraw/zinc/20/76/20/563207620.db2.gz GFWDPXHTWJXOEI-RUZDIDTESA-N 2 0 475.593 3.459 1 0 in-vitro JGAFRP C[C@@H]1C[NH+]=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+]C[C@H](C)N5)cc4)c(N)c3)cc2)N1 ZINC000001694048 562923200 /nfs/dbraw/zinc/92/32/00/562923200.db2.gz VEWNADUEXBCCOQ-SJORKVTESA-N 2 0 495.587 3.250 1 0 JGAFRP C[NH+](C)Cc1ccc(CSCCNC=C(NCCSCc2ccc(C[NH+](C)C)o2)[N+](=O)[O-])o1 ZINC000013452522 562964853 /nfs/dbraw/zinc/96/48/53/562964853.db2.gz ARSAQZQCCQIFRU-XKZIYDEJSA-N 2 0 497.687 3.417 1 0 JGAFRP COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](C)NC(=O)c1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000013529543 562972109 /nfs/dbraw/zinc/97/21/09/562972109.db2.gz XFKVLKLCLYJKNF-XDHUDOTRSA-N 2 0 458.562 3.247 1 0 JGAFRP CCOC(=O)[C@@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(O[C@H]2CCN(C(C)=[NH2+])C2)cc1 ZINC000013782215 562992429 /nfs/dbraw/zinc/99/24/29/562992429.db2.gz ZZOCOMQLTZHDOI-ZEQRLZLVSA-N 2 0 479.581 3.072 1 0 JGAFRP CN(CC[NH+](C)CCc1ccc(Cl)c(Cl)c1)CC[N@H+](C)CCN(C)CC[NH+]1CCCC1 ZINC000022936566 563019124 /nfs/dbraw/zinc/01/91/24/563019124.db2.gz PLIJZOIPUXTBOX-UHFFFAOYSA-N 3 0 472.549 3.359 1 0 JGAFRP c1ccc2c(NCCN3CCOCC3)cc(-c3cccc(C[NH2+]CCCN4CCOCC4)c3)[nH+]c2c1 ZINC000028641640 563072703 /nfs/dbraw/zinc/07/27/03/563072703.db2.gz CDVMWQIQDIRKQZ-UHFFFAOYSA-N 2 0 489.664 3.458 1 0 JGAFRP C[NH2+]CCNCc1ccccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028959751 563088842 /nfs/dbraw/zinc/08/88/42/563088842.db2.gz DSMVKRSZKKNVTJ-IZZNHLLZSA-N 2 0 498.115 3.422 1 0 JGAFRP CC(C)[NH2+]C[C@H](O)COc1ccc(OCCCOc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000029338166 563100912 /nfs/dbraw/zinc/10/09/12/563100912.db2.gz VQEXGHMOTIZTSB-GOTSBHOMSA-N 2 0 490.641 3.010 1 0 JGAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)cc2)C1)N1CCCC1 ZINC000029489821 563105804 /nfs/dbraw/zinc/10/58/04/563105804.db2.gz NZLWSJIQURXAMP-CLJLJLNGSA-N 2 0 466.670 3.355 1 0 JGAFRP CN(C[C@H]1C[C@@H](C2=N[C@@H](c3cccc(OCc4ccccc4)c3)[C@H]3C(=[NH2+])NC=CN23)C1)N1CC[NH2+]CC1 ZINC000101101533 581097362 /nfs/dbraw/zinc/09/73/62/581097362.db2.gz GUDFNEWEEHZYCE-YWRKFBSTSA-N 2 0 499.663 3.010 1 0 JGAFRP CN(C[C@H]1C[C@@H](C2=N[C@H](c3cccc(OCc4ccccc4)c3)[C@H]3C(=[NH2+])NC=CN23)C1)N1CC[NH2+]CC1 ZINC000253659042 581097401 /nfs/dbraw/zinc/09/74/01/581097401.db2.gz GUDFNEWEEHZYCE-QHGFWFBMSA-N 2 0 499.663 3.010 1 0 JGAFRP CN(C[C@H]1C[C@@H](C2=N[C@@H](c3cccc(OCc4ccccc4)c3)[C@H]3C(=[NH2+])NC=CN23)C1)N1CC[NH2+]CC1 ZINC000253659037 581097412 /nfs/dbraw/zinc/09/74/12/581097412.db2.gz GUDFNEWEEHZYCE-JIWYJQEDSA-N 2 0 499.663 3.010 1 0 JGAFRP [NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCCC1 ZINC000003992343 562931768 /nfs/dbraw/zinc/93/17/68/562931768.db2.gz QFNTWMUHQSWSOL-VWLOTQADSA-N 2 0 474.690 3.395 1 0 JGAFRP C[NH+](C)Cc1ccc(CSCCNC(=O)NCCSCc2ccc(C[NH+](C)C)o2)o1 ZINC000013452537 562964816 /nfs/dbraw/zinc/96/48/16/562964816.db2.gz LJESWFKKUNDADE-UHFFFAOYSA-N 2 0 454.662 3.462 1 0 JGAFRP [NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1 ZINC000013492679 562969845 /nfs/dbraw/zinc/96/98/45/562969845.db2.gz BDPLRFUJKHTNIZ-MHZLTWQESA-N 2 0 496.696 3.448 1 0 JGAFRP [NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H](CCc1ccccc1)c1nc(C(=O)Nc2cnc3ccccc3c2)co1 ZINC000013587020 562976904 /nfs/dbraw/zinc/97/69/04/562976904.db2.gz HKCOWSDJXXGYSU-FYYLOGMGSA-N 2 0 486.576 3.331 1 0 JGAFRP [NH3+]CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026377787 563026381 /nfs/dbraw/zinc/02/63/81/563026381.db2.gz ZYESGPQRGYSCFE-CSZVXOJQSA-N 2 0 457.574 3.074 1 0 JGAFRP CC[NH+](CC)C[C@H]1O[C@@H](C[NH+](CC)CC)CO[C@H]2c3nc4c5ccccc5n(C)c4nc3NC(=O)N21 ZINC000026824945 563035874 /nfs/dbraw/zinc/03/58/74/563035874.db2.gz NUJBKIKYVPKVRI-OYRDERLMSA-N 2 0 495.628 3.393 1 0 JGAFRP [NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1 ZINC000027653191 563048828 /nfs/dbraw/zinc/04/88/28/563048828.db2.gz ZDPOQSOUIYBQJQ-AREMUKBSSA-N 2 0 482.669 3.057 1 0 JGAFRP Cc1cccc2c1cc(C(=O)NC1CC[NH+](C(C)C)CC1)n2CC(=O)Nc1ccc(C(N)=[NH2+])cc1 ZINC000028470370 563065293 /nfs/dbraw/zinc/06/52/93/563065293.db2.gz RSKIMKNCTVVGCK-UHFFFAOYSA-N 2 0 474.609 3.475 1 0 JGAFRP COC[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@@H]2CC[NH2+]C2)cc1 ZINC000028823669 563081621 /nfs/dbraw/zinc/08/16/21/563081621.db2.gz NOQHHDCNSWECFD-RPBOFIJWSA-N 2 0 451.611 3.353 1 0 JGAFRP CC(C)[NH2+]C[C@H](O)COc1ccccc1OCCCOc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000029339930 563101005 /nfs/dbraw/zinc/10/10/05/563101005.db2.gz GTLNYXYZJZBCGU-GOTSBHOMSA-N 2 0 490.641 3.010 1 0 JGAFRP COc1cccc(C(=O)Nc2nc3c(s2)CC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)CC3)c1 ZINC000045202770 563179029 /nfs/dbraw/zinc/17/90/29/563179029.db2.gz CWCZGDVMDNWYDC-UHFFFAOYSA-N 2 0 477.634 3.414 1 0 JGAFRP NC(=[NH2+])NCCCC[C@H](NC(=O)C(C[NH3+])(CCC1CCCCC1)CCC1CCCCC1)C(N)=O ZINC000045255841 563182634 /nfs/dbraw/zinc/18/26/34/563182634.db2.gz ZJSYVODITCAOCC-QFIPXVFZSA-N 2 0 478.726 3.276 1 0 JGAFRP COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC[NH+]1CCCC1)[NH2+]C2 ZINC000058651214 563208546 /nfs/dbraw/zinc/20/85/46/563208546.db2.gz FYHNIUJJYVTXSP-XMMPIXPASA-N 2 0 461.566 3.213 1 0 JGAFRP CN(C[C@H]1C[C@@H](C2=N[C@H](c3cccc(OCc4ccccc4)c3)[C@@H]3C(=[NH2+])NC=CN23)C1)N1CC[NH2+]CC1 ZINC000253659050 581097477 /nfs/dbraw/zinc/09/74/77/581097477.db2.gz GUDFNEWEEHZYCE-YLXXEMJTSA-N 2 0 499.663 3.010 1 0 JGAFRP C[C@H]1[C@H](O)CC[C@H]2C[C@H](CCCCCCC[C@](O)(C[NH2+]C3(C)CC[NH2+]CC3)CC(=O)[O-])CC[N@H+]12 ZINC000085488102 560075851 /nfs/dbraw/zinc/07/58/51/560075851.db2.gz CACLTIHDCJWARI-WVBYHWPDSA-N 2 0 481.722 3.278 1 0 biogenic,in-vitro JGAFRP C[NH2+]CCOCCn1cc(C2=C(c3c[nH]c4ccccc43)C(=O)N(CC[NH+](C)C)C2=O)c2ccccc21 ZINC000026645623 563031733 /nfs/dbraw/zinc/03/17/33/563031733.db2.gz CAVZCRDWNAUDOH-UHFFFAOYSA-N 2 0 499.615 3.200 1 0 JGAFRP [NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CCCCC1 ZINC000027648413 563048414 /nfs/dbraw/zinc/04/84/14/563048414.db2.gz QFNTWMUHQSWSOL-RUZDIDTESA-N 2 0 474.690 3.395 1 0 JGAFRP [NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000027653035 563048830 /nfs/dbraw/zinc/04/88/30/563048830.db2.gz HWEXTFVHGUUGHA-RUZDIDTESA-N 2 0 468.642 3.129 1 0 JGAFRP O=C1c2ccccc2C(=O)N1CCC[NH2+]CCCCCC[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000028523383 563066806 /nfs/dbraw/zinc/06/68/06/563066806.db2.gz NYPNFDQNLMCVKH-UHFFFAOYSA-N 2 0 490.604 3.099 1 0 JGAFRP NC(=[NH2+])c1ccc2[nH]c(-c3sc(-c4nc5cc(C(N)=[NH2+])ccc5[nH]4)c4c3OCCO4)nc2c1 ZINC000040394740 563138880 /nfs/dbraw/zinc/13/88/80/563138880.db2.gz PHLSVFSSMRXGQP-UHFFFAOYSA-N 2 0 458.507 3.174 1 0 JGAFRP NC(=[NH2+])c1cc(Br)cc(NC(=O)Nc2cc(Br)cc(C(N)=[NH2+])c2)c1 ZINC000045230642 563181233 /nfs/dbraw/zinc/18/12/33/563181233.db2.gz GNVIUOXDXNVQKG-UHFFFAOYSA-N 2 0 454.126 3.424 1 0 JGAFRP [NH2+]=C(NCCCN(CCNC(=[NH2+])NC1CCCCC1)C(=[NH2+])NC1CCCCC1)NC1CCCCC1 ZINC000058563719 563207384 /nfs/dbraw/zinc/20/73/84/563207384.db2.gz AMLDTPMEGUBKDI-UHFFFAOYSA-N 3 0 489.757 3.429 1 0 JGAFRP COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC1CC[NH+](C)CC1)[NH2+]C2 ZINC000058655371 563208640 /nfs/dbraw/zinc/20/86/40/563208640.db2.gz ZIOFZAKRLQFZFM-XMMPIXPASA-N 2 0 461.566 3.211 1 0 JGAFRP CN(C[C@H]1C[C@@H](C2=N[C@H](c3cccc(OCc4ccccc4)c3)[C@H]3C(=[NH2+])NC=CN23)C1)N1CC[NH2+]CC1 ZINC000101101531 581097336 /nfs/dbraw/zinc/09/73/36/581097336.db2.gz GUDFNEWEEHZYCE-KQPVPGJTSA-N 2 0 499.663 3.010 1 0 JGAFRP COC(=O)[C@@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000002046787 562924667 /nfs/dbraw/zinc/92/46/67/562924667.db2.gz XFKVLKLCLYJKNF-OSPHWJPCSA-N 2 0 458.562 3.247 1 0 JGAFRP [NH3+]CCC(=O)N(CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000022930588 563018252 /nfs/dbraw/zinc/01/82/52/563018252.db2.gz FCVSDODCADLIIN-UHFFFAOYSA-N 2 0 487.092 3.285 1 0 JGAFRP CC[NH2+]Cc1cncc(-c2cnc3n[nH]c(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)c3c2)c1 ZINC000028950090 563086883 /nfs/dbraw/zinc/08/68/83/563086883.db2.gz VBYCLUNCQJLFHE-UHFFFAOYSA-N 2 0 467.581 3.425 1 0 JGAFRP [NH3+]CCCC[NH2+]CCCC[NH2+]Cc1ccc(C[NH2+]CCCC[NH2+]CCCC[NH3+])c2ccccc12 ZINC000029135425 563098123 /nfs/dbraw/zinc/09/81/23/563098123.db2.gz VKMAVCXHSLFYBE-UHFFFAOYSA-N 6 0 470.750 3.236 1 0 JGAFRP CCOC(=O)c1cc(C(N)=[NH2+])ccc1OCCCCCOc1ccc(C(N)=[NH2+])cc1C(=O)OCC ZINC000040955385 563160747 /nfs/dbraw/zinc/16/07/47/563160747.db2.gz PANMLABNVTYBHM-UHFFFAOYSA-N 2 0 484.553 3.236 1 0 JGAFRP C[NH+](C)CCN(Cc1ccccc1)c1nnc(N(CC[NH+](C)C)c2ccc(Cl)cc2)nn1 ZINC000058608609 563208459 /nfs/dbraw/zinc/20/84/59/563208459.db2.gz CBORGQNIUZIYLU-UHFFFAOYSA-N 2 0 455.010 3.188 1 0 JGAFRP C[C@H]1C[NH+]=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+]C[C@H](C)N5)cc4)c(N)c3)cc2)N1 ZINC000001694047 562923197 /nfs/dbraw/zinc/92/31/97/562923197.db2.gz VEWNADUEXBCCOQ-IRXDYDNUSA-N 2 0 495.587 3.250 1 0 JGAFRP NC(=[NH2+])c1ccc(C(=O)N2CCc3c4ccccc4n(Cc4cccc(C(N)=[NH2+])c4)c3C2)cc1 ZINC000004150243 562932549 /nfs/dbraw/zinc/93/25/49/562932549.db2.gz MRAALHBXDNSLGW-UHFFFAOYSA-N 2 0 450.546 3.456 1 0 JGAFRP Cc1cc(N)[nH+]c(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000013766347 562990786 /nfs/dbraw/zinc/99/07/86/562990786.db2.gz QBNJJQBEAIGWTA-JYFHCDHNSA-N 2 0 471.605 3.047 1 0 JGAFRP OC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 ZINC000013802536 562994493 /nfs/dbraw/zinc/99/44/93/562994493.db2.gz GDIIVCHUJPZCJM-DEOSSOPVSA-N 2 0 458.610 3.339 1 0 JGAFRP O=C1CC[C@](CC[NH+]2CC(N3CC[NH2+]CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 ZINC000022927859 563017948 /nfs/dbraw/zinc/01/79/48/563017948.db2.gz LISBQSVNZGTROM-XMMPIXPASA-N 2 0 465.469 3.243 1 0 JGAFRP CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CNCC[NH3+])CC2)C1 ZINC000028959741 563088797 /nfs/dbraw/zinc/08/87/97/563088797.db2.gz ONKJPBSTNUHLAL-LOSJGSFVSA-N 2 0 484.088 3.161 1 0 JGAFRP CC[NH+](CC)CCOc1cccc(-c2cc(C(=O)N[C@H]3CCC[NH2+]C3)c(NC(N)=O)s2)c1 ZINC000038226696 563133384 /nfs/dbraw/zinc/13/33/84/563133384.db2.gz VQZOFFVCEALYHF-KRWDZBQOSA-N 2 0 459.616 3.108 1 0 JGAFRP COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1SCC[NH+](C)C)[NH2+]C2 ZINC000058592418 563208202 /nfs/dbraw/zinc/20/82/02/563208202.db2.gz RTMJVESPPUPIMR-JOCHJYFZSA-N 2 0 451.596 3.392 1 0 JGAFRP O=C(Nc1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1 ZINC000001691655 562923193 /nfs/dbraw/zinc/92/31/93/562923193.db2.gz GHEAYDNOPHPNFK-UHFFFAOYSA-N 2 0 467.533 3.283 1 0 JGAFRP CCOC(=O)[C@@H](Oc1ccc2c(c1)CN(C(N)=[NH2+])CC2)c1ccc(OC2CCN(C(C)=[NH2+])CC2)cc1 ZINC000003951374 562930738 /nfs/dbraw/zinc/93/07/38/562930738.db2.gz IPFYCMPFMMRMFR-VWLOTQADSA-N 2 0 493.608 3.462 1 0 JGAFRP [NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000013492677 562969849 /nfs/dbraw/zinc/96/98/49/562969849.db2.gz HWEXTFVHGUUGHA-VWLOTQADSA-N 2 0 468.642 3.129 1 0 JGAFRP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3c[nH]c4ccc(-n5cnnc5)cc34)C2)cc1 ZINC000013794072 562992902 /nfs/dbraw/zinc/99/29/02/562992902.db2.gz ZDIROZZUYKRUKS-NRFANRHFSA-N 2 0 457.582 3.361 1 0 JGAFRP [NH3+]CCCCCCCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000022940206 563019648 /nfs/dbraw/zinc/01/96/48/563019648.db2.gz NYVAVEOWRZDMQT-UHFFFAOYSA-N 2 0 464.614 3.229 1 0 JGAFRP CC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(N)=[NH2+])c1 ZINC000028223070 563058003 /nfs/dbraw/zinc/05/80/03/563058003.db2.gz VNMJDJUMSGRWPP-ZEQRLZLVSA-N 2 0 476.602 3.090 1 0 JGAFRP CCc1ccc(C[N@@H+]2CCc3c(c(=O)n(CC[NH+](C)C)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864166 563083560 /nfs/dbraw/zinc/08/35/60/563083560.db2.gz BJQJIQFGCVMLRR-UHFFFAOYSA-N 2 0 482.575 3.019 1 0 JGAFRP CN(C[C@H]1C[C@@H](C2=N[C@@H](c3cccc(OCc4ccccc4)c3)[C@@H]3C(=[NH2+])NC=CN23)C1)N1CC[NH2+]CC1 ZINC000253659047 581097387 /nfs/dbraw/zinc/09/73/87/581097387.db2.gz GUDFNEWEEHZYCE-UICHKGEESA-N 2 0 499.663 3.010 1 0 JGAFRP C[C@@H]1C[NH+]=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+]C[C@H](C)N5)cc4)cc3N)cc2)N1 ZINC000001694049 562923217 /nfs/dbraw/zinc/92/32/17/562923217.db2.gz VEWNADUEXBCCOQ-DLBZAZTESA-N 2 0 495.587 3.250 1 0 JGAFRP CC(=[NH2+])N1CCC(Oc2ccc3c(c2)OCC(=O)N3Cc2cc(-c3cccc(C(N)=[NH2+])c3)no2)CC1 ZINC000003964184 562931105 /nfs/dbraw/zinc/93/11/05/562931105.db2.gz ACXCBNGYJVXXMN-UHFFFAOYSA-N 2 0 488.548 3.392 1 0 JGAFRP CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3cc4ccc(C(N)=[NH2+])cc4n3C)S(C)(=O)=O)cc2)CC1 ZINC000013487640 562967848 /nfs/dbraw/zinc/96/78/48/562967848.db2.gz UCJLZYHARBIVAX-UHFFFAOYSA-N 2 0 496.637 3.269 1 0 JGAFRP COc1cc(C2=[NH+]CCN2)ccc1OCCCCCOc1ccc(C2=[NH+]CCN2)cc1OC ZINC000027439320 563044370 /nfs/dbraw/zinc/04/43/70/563044370.db2.gz AQVOFTTZZWHYGR-UHFFFAOYSA-N 2 0 452.555 3.032 1 0 JGAFRP NC(=[NH2+])SCCCOc1oc(=O)c2cc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)ccc2c1Cl ZINC000028759486 563078044 /nfs/dbraw/zinc/07/80/44/563078044.db2.gz JGBRGVRKCCBMQM-KRWDZBQOSA-N 2 0 474.970 3.350 1 0 JGAFRP C[NH2+]C[C@H](Cc1ccccc1)N(C)C[C@@H](Cc1ccc(O)cc1)N(C)C[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000036216220 563124345 /nfs/dbraw/zinc/12/43/45/563124345.db2.gz YFVWOMKVZLGFTF-HZFUHODCSA-N 2 0 490.692 3.273 1 0 JGAFRP CC[NH+](CC)CCOc1cccc(-c2cc(C(=O)N[C@@H]3CCC[NH2+]C3)c(NC(N)=O)s2)c1 ZINC000038226695 563133377 /nfs/dbraw/zinc/13/33/77/563133377.db2.gz VQZOFFVCEALYHF-QGZVFWFLSA-N 2 0 459.616 3.108 1 0 JGAFRP COc1cc2c(cc1OCCCC[NH+](C)C)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1 ZINC000058574861 563207601 /nfs/dbraw/zinc/20/76/01/563207601.db2.gz NZBIOZGOZPJKEE-UHFFFAOYSA-N 3 0 499.704 3.007 1 0 JGAFRP CC(=[NH2+])N1CCC(Oc2ccc3c(c2)OCC(=O)N3Cc2cc3ccc(C(N)=[NH2+])cc3n2C)CC1 ZINC000003954909 562930811 /nfs/dbraw/zinc/93/08/11/562930811.db2.gz DDWMFVRLSGMQCQ-UHFFFAOYSA-N 2 0 474.565 3.228 1 0 JGAFRP CC[NH+](CC)CCOc1ccc(-c2cc(C(=O)N[C@H]3CCC[NH2+]C3)c(NC(N)=O)s2)cc1 ZINC000013980176 563005238 /nfs/dbraw/zinc/00/52/38/563005238.db2.gz BFMPGPHQNHTROH-KRWDZBQOSA-N 2 0 459.616 3.108 1 0 JGAFRP COc1c(Br)cc(/C=C/C(=O)NCCCC[NH2+]CCC[NH3+])cc1Br ZINC000014712782 563006293 /nfs/dbraw/zinc/00/62/93/563006293.db2.gz BLVNHVOZLUNYRJ-AATRIKPKSA-N 2 0 463.214 3.068 1 0 JGAFRP CCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCC[NH2+]CCC[NH3+] ZINC000027646015 563048295 /nfs/dbraw/zinc/04/82/95/563048295.db2.gz RMPOMJNWSMWXRV-XMMPIXPASA-N 2 0 462.679 3.395 1 0 JGAFRP CC[NH+](CC)CCn1nc2c3c1ccc1c(=O)n(CC[NH+](CC)CC)c(=O)n(c31)-c1ccccc1-2 ZINC000027747209 563051181 /nfs/dbraw/zinc/05/11/81/563051181.db2.gz YXQDPULJZJFJTQ-UHFFFAOYSA-N 2 0 474.609 3.166 1 0 JGAFRP NC(=[NH2+])c1cccc(C(=O)N[C@H](C(=O)NCC2CCC(C[NH3+])CC2)c2cccc3ccccc32)c1 ZINC000027847516 563051785 /nfs/dbraw/zinc/05/17/85/563051785.db2.gz TYTZFOZQSXKVEL-BRVOVERQSA-N 2 0 471.605 3.476 1 0 JGAFRP COc1ccccc1CCN(C(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1)[C@@H]1CC[NH2+]C1 ZINC000028823665 563081652 /nfs/dbraw/zinc/08/16/52/563081652.db2.gz OAYYCYGDISNPPY-DSITVLBTSA-N 2 0 451.611 3.135 1 0 JGAFRP CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CNC3C[NH2+]C3)CC2)C1 ZINC000028959759 563088831 /nfs/dbraw/zinc/08/88/31/563088831.db2.gz HCDOGUUVURWOGZ-IZZNHLLZSA-N 2 0 496.099 3.174 1 0 JGAFRP CC(=O)c1sc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975203 563090131 /nfs/dbraw/zinc/09/01/31/563090131.db2.gz XLRNYRPKEKOVGJ-IRFCIJBXSA-N 2 0 473.618 3.457 1 0 JGAFRP CC[NH+](CC)CCOc1ccc(-c2cc(C(=O)NC3CC[NH2+]CC3)c(NC(N)=O)s2)cc1 ZINC000038210998 563133206 /nfs/dbraw/zinc/13/32/06/563133206.db2.gz QPDUIQMRZXEISB-UHFFFAOYSA-N 2 0 459.616 3.108 1 0 JGAFRP CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3cc4cc(C(N)=[NH2+])ccc4n3C)S(C)(=O)=O)cc2)CC1 ZINC000013487639 562967863 /nfs/dbraw/zinc/96/78/63/562967863.db2.gz RQEZYIHQUAMUGI-UHFFFAOYSA-N 2 0 496.637 3.269 1 0 JGAFRP [NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1 ZINC000013492678 562969898 /nfs/dbraw/zinc/96/98/98/562969898.db2.gz ZDPOQSOUIYBQJQ-SANMLTNESA-N 2 0 482.669 3.057 1 0 JGAFRP CCOC(=O)CCc1c[nH+]ccc1N1CCC(COc2ccc3c(c2)CN(C(N)=[NH2+])CC3)CC1 ZINC000013644380 562980583 /nfs/dbraw/zinc/98/05/83/562980583.db2.gz LQKQJTMXSAOYCJ-UHFFFAOYSA-N 2 0 465.598 3.124 1 0 JGAFRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1 ZINC000020241019 563016024 /nfs/dbraw/zinc/01/60/24/563016024.db2.gz DXVPHBVDYDTOPH-OAQYLSRUSA-N 2 0 474.049 3.269 3 0 JGAFRP CCCCOc1ccc(CC(C)(C)C)cc1S(=O)(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] ZINC000028604469 563071703 /nfs/dbraw/zinc/07/17/03/563071703.db2.gz YXIXKSVSEZOFSV-UHFFFAOYSA-N 3 0 484.751 3.431 1 0 JGAFRP CN(C[C@H]1C[C@@H](C2=N[C@@H](c3cccc(OCc4ccccc4)c3)[C@@H]3C(=[NH2+])NC=CN23)C1)N1CC[NH2+]CC1 ZINC000169362606 581097344 /nfs/dbraw/zinc/09/73/44/581097344.db2.gz GUDFNEWEEHZYCE-DAANFHMWSA-N 2 0 499.663 3.010 1 0 JGAFRP O=C(Nc1ccc(C(=O)Nc2cccc(C3=[NH+]CCN3)c2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1 ZINC000001694044 562923205 /nfs/dbraw/zinc/92/32/05/562923205.db2.gz GSUGCFJBUOVTEI-UHFFFAOYSA-N 2 0 467.533 3.283 1 0 JGAFRP COc1cccc2c1cc(C(=O)NCc1ccc(C(N)=[NH2+])cc1)n2Cc1cccc(C(N)=[NH2+])c1 ZINC000003831896 562929596 /nfs/dbraw/zinc/92/95/96/562929596.db2.gz PXKGLTDMHVKDNJ-UHFFFAOYSA-N 2 0 454.534 3.196 1 0 JGAFRP COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](C)NC(=O)c1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000003874888 562929717 /nfs/dbraw/zinc/92/97/17/562929717.db2.gz XFKVLKLCLYJKNF-BXKMTCNYSA-N 2 0 458.562 3.247 1 0 JGAFRP CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000013523917 562971197 /nfs/dbraw/zinc/97/11/97/562971197.db2.gz XMQBJNPBIUOLQP-OTBYNZDMSA-N 2 0 453.627 3.408 1 0 JGAFRP NC(=[NH2+])SCCCOc1oc(=O)c2cc(NC(=O)[C@H]([NH3+])Cc3ccccc3)ccc2c1Cl ZINC000028757779 563077983 /nfs/dbraw/zinc/07/79/83/563077983.db2.gz JGBRGVRKCCBMQM-QGZVFWFLSA-N 2 0 474.970 3.350 1 0 JGAFRP COc1ccccc1CCN(C(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1)[C@H]1CC[NH2+]C1 ZINC000028823666 563081635 /nfs/dbraw/zinc/08/16/35/563081635.db2.gz OAYYCYGDISNPPY-SDHOMARFSA-N 2 0 451.611 3.135 1 0 JGAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)cc2)C1)N1CCCC1 ZINC000029489825 563105838 /nfs/dbraw/zinc/10/58/38/563105838.db2.gz NZLWSJIQURXAMP-WMPKNSHKSA-N 2 0 466.670 3.355 1 0 JGAFRP O=C([C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)cc2)C1)N1CCCC1 ZINC000034074717 563112090 /nfs/dbraw/zinc/11/20/90/563112090.db2.gz NZLWSJIQURXAMP-UIOOFZCWSA-N 2 0 466.670 3.355 1 0 JGAFRP [NH3+]CC1(c2ccccc2)CC[NH+]([C@@H]2Cc3c(I)cccc3C[C@H]2O)CC1 ZINC000040866033 563151104 /nfs/dbraw/zinc/15/11/04/563151104.db2.gz KGIAXLXHOYZACK-NHCUHLMSSA-N 2 0 462.375 3.112 1 0 JGAFRP O[C@@H]1CNC(c2ccc(Oc3ccc(-c4cc5ccc(C6=[NH+]C[C@H](O)CN6)cc5[nH]4)cc3)cc2)=[NH+]C1 ZINC000045385278 563194376 /nfs/dbraw/zinc/19/43/76/563194376.db2.gz KZXMSXYZJNUMIG-UHFFFAOYSA-N 2 0 481.556 3.049 1 0 JGAFRP Nc1cc(C(=O)Nc2ccc(C3=[NH+]CCCN3)cc2)ccc1C(=O)Nc1ccc(C2=[NH+]CCCN2)cc1 ZINC000001694051 562923278 /nfs/dbraw/zinc/92/32/78/562923278.db2.gz ZOUFJNZADQAIDQ-UHFFFAOYSA-N 2 0 495.587 3.253 1 0 JGAFRP NC(=[NH2+])Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000013809249 562995646 /nfs/dbraw/zinc/99/56/46/562995646.db2.gz OXMFRRNLCDTMRQ-OZBXUNDUSA-N 2 0 470.573 3.051 1 0 JGAFRP NC(=[NH2+])c1cccc(C(=O)N[C@@H](C(=O)NCC2CCC(C[NH3+])CC2)c2cccc3ccccc32)c1 ZINC000027847523 563051803 /nfs/dbraw/zinc/05/18/03/563051803.db2.gz TYTZFOZQSXKVEL-ZPHNUYGRSA-N 2 0 471.605 3.476 1 0 JGAFRP CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC[NH2+]CCCCCCCC[NH3+] ZINC000035033585 563118350 /nfs/dbraw/zinc/11/83/50/563118350.db2.gz BIIUVXXSWDUEEJ-DEOSSOPVSA-N 2 0 462.679 3.395 1 0 JGAFRP COCCCCOc1cc2nc(N3CCC[N@H+](C)CC3)nc(NC3CC[NH+](C)CC3)c2cc1OC ZINC000036382578 563128144 /nfs/dbraw/zinc/12/81/44/563128144.db2.gz UWHNICVOYXVRKH-UHFFFAOYSA-N 2 0 486.661 3.092 1 0 JGAFRP C[C@@H]1[NH2+][C@H](C2CCC(CCCCC[C@](O)(C[NH2+]C3(C)CC[NH2+]CC3)CC(=O)[O-])CC2)CC[C@H]1O ZINC000085488088 560075820 /nfs/dbraw/zinc/07/58/20/560075820.db2.gz FMVGSTVBULMVOF-DWMXAGIASA-N 2 0 481.722 3.182 1 0 biogenic,in-vitro JGAFRP CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4cccc(Cl)c4)oc3C)C2)CC1 ZINC000020241021 563016032 /nfs/dbraw/zinc/01/60/32/563016032.db2.gz DXVPHBVDYDTOPH-NRFANRHFSA-N 2 0 474.049 3.269 3 0 JGAFRP C[NH+]1CCN(Cc2cccc(C(=O)NCc3cccc(-c4cccc(CN5CC[NH2+]CC5)c4)c3)c2)CC1 ZINC000035803355 563120494 /nfs/dbraw/zinc/12/04/94/563120494.db2.gz AAADPBLPXCELKR-UHFFFAOYSA-N 2 0 497.687 3.436 1 0 JGAFRP COc1cc(OC)c2c(=O)cc(-c3ccc(OCCC[NH3+])c(NC(=O)CCC[NH+](C)C)c3)n(C)c2c1 ZINC000040935140 563157636 /nfs/dbraw/zinc/15/76/36/563157636.db2.gz ONRXNJPPMRYHRV-UHFFFAOYSA-N 2 0 496.608 3.231 1 0 JGAFRP C[C@@H]1C[NH+]=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+]C[C@@H](C)N5)cc4)c(N)c3)cc2)N1 ZINC000001694050 562923218 /nfs/dbraw/zinc/92/32/18/562923218.db2.gz VEWNADUEXBCCOQ-IAGOWNOFSA-N 2 0 495.587 3.250 1 0 JGAFRP COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000003815583 562928866 /nfs/dbraw/zinc/92/88/66/562928866.db2.gz XFKVLKLCLYJKNF-MZNJEOGPSA-N 2 0 458.562 3.247 1 0 in-vivo JGAFRP O=S(=O)(Nc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1)c1ccc(I)cc1 ZINC000003940347 562930304 /nfs/dbraw/zinc/93/03/04/562930304.db2.gz HGFSZXHKJHVCNO-UHFFFAOYSA-N 2 0 494.358 3.050 1 0 JGAFRP CCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCC[NH2+]CCC[NH3+] ZINC000003992344 562931785 /nfs/dbraw/zinc/93/17/85/562931785.db2.gz RMPOMJNWSMWXRV-DEOSSOPVSA-N 2 0 462.679 3.395 1 0 JGAFRP O=C(/C=C\c1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1 ZINC000004758224 562933718 /nfs/dbraw/zinc/93/37/18/562933718.db2.gz VOVSEXWVJWWZTO-BNNQUZSASA-N 2 0 478.556 3.290 1 0 JGAFRP CNc1nc(NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCC[NH3+])nc(NC)[nH+]1 ZINC000013864378 563003943 /nfs/dbraw/zinc/00/39/43/563003943.db2.gz FQNQSHCUTKSTEP-UHFFFAOYSA-N 4 0 451.708 3.186 1 0 JGAFRP CC(C)[NH2+]C[C@H](O)COc1cccc(OCCCOc2cccc(OC[C@@H](O)C[NH2+]C(C)C)c2)c1 ZINC000029340498 563101004 /nfs/dbraw/zinc/10/10/04/563101004.db2.gz PPEBQWXBWMDCRF-GOTSBHOMSA-N 2 0 490.641 3.010 1 0 JGAFRP C[NH2+]C[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000036216351 563124411 /nfs/dbraw/zinc/12/44/11/563124411.db2.gz YFVWOMKVZLGFTF-IARZGTGTSA-N 2 0 490.692 3.273 1 0 JGAFRP C[NH+]1CCN(c2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)CC1 ZINC000040937537 563158343 /nfs/dbraw/zinc/15/83/43/563158343.db2.gz MYMAEUCHDVJVIA-BWAHOGKJSA-N 2 0 459.594 3.147 1 0 JGAFRP [NH3+]CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@@H]3O5 ZINC000026377789 563026361 /nfs/dbraw/zinc/02/63/61/563026361.db2.gz ZYESGPQRGYSCFE-HLJLCZKJSA-N 2 0 457.574 3.074 1 0 JGAFRP [NH3+][C@H](Cn1cnc2c1ncnc2-n1cccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026575910 563030467 /nfs/dbraw/zinc/03/04/67/563030467.db2.gz BSLIFHYKMHFYPS-VWLOTQADSA-N 2 0 492.631 3.352 1 0 JGAFRP O=C1CC[C@@](CC[NH+]2CC(N3CC[NH2+]CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CC1 ZINC000027624131 563047371 /nfs/dbraw/zinc/04/73/71/563047371.db2.gz LISBQSVNZGTROM-DEOSSOPVSA-N 2 0 465.469 3.243 1 0 JGAFRP CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028475025 563065911 /nfs/dbraw/zinc/06/59/11/563065911.db2.gz GMHWKQWECFOZFE-UPVQGACJSA-N 2 0 484.641 3.145 1 0 JGAFRP c1cc(C[NH+]2CCCC2)cc(-c2nnnn2[C@H]2CO[C@@H]3C[C@@H]([NH2+]CC4CCCCC4)O[C@@H]32)c1 ZINC000040894300 563153619 /nfs/dbraw/zinc/15/36/19/563153619.db2.gz LFRRGQXSMKOSOQ-UARRHKHWSA-N 2 0 452.603 3.161 1 0 JGAFRP CN(C[C@H]1C[C@@H](C2=N[C@H](c3cccc(OCc4ccccc4)c3)[C@@H]3C(=[NH2+])NC=CN23)C1)N1CC[NH2+]CC1 ZINC000169362607 581097453 /nfs/dbraw/zinc/09/74/53/581097453.db2.gz GUDFNEWEEHZYCE-MDVLPONGSA-N 2 0 499.663 3.010 1 0 JGAFRP CC[C@H]1C[N@@H+]2CCc3cc(O)c(OC)cc3[C@@H]2C[C@@H]1C[C@@]1(O)[NH2+]CCc2cc(O)c(OC)cc21 ZINC000015150988 563011332 /nfs/dbraw/zinc/01/13/32/563011332.db2.gz IIFHKWNCTVOSKL-OKGGWNPJSA-N 2 0 468.594 3.441 1 0 in-vitro JGAFRP [NH3+][C@@H](Cn1cnc2c1ncnc2-n1cccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026575911 563030489 /nfs/dbraw/zinc/03/04/89/563030489.db2.gz BSLIFHYKMHFYPS-RUZDIDTESA-N 2 0 492.631 3.352 1 0 JGAFRP CN1CCN(C(=[NH2+])/C=C/c2ccc(-c3cn4cc(/C=C/C(=[NH2+])N5CCN(C)CC5)ccc4n3)cc2)CC1 ZINC000027436113 563044243 /nfs/dbraw/zinc/04/42/43/563044243.db2.gz GZSRIFDIFVLLGI-GWWXXWRPSA-N 2 0 496.663 3.477 1 0 JGAFRP [NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1 ZINC000027649683 563048527 /nfs/dbraw/zinc/04/85/27/563048527.db2.gz BDPLRFUJKHTNIZ-HHHXNRCGSA-N 2 0 496.696 3.448 1 0 JGAFRP COC[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)N(CCc2ccccc2OC)[C@H]2CC[NH2+]C2)cc1 ZINC000028823670 563081609 /nfs/dbraw/zinc/08/16/09/563081609.db2.gz NOQHHDCNSWECFD-DQEYMECFSA-N 2 0 451.611 3.353 1 0 JGAFRP CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCC[NH2+]CCCCCC[NH3+] ZINC000035033601 563118347 /nfs/dbraw/zinc/11/83/47/563118347.db2.gz LNPJWMHCWBPOGB-DEOSSOPVSA-N 2 0 462.679 3.395 1 0 JGAFRP C[NH+](C)CCCNC(=O)c1cccc2c1Oc1c(C(=O)NCCC[NH+](C)C)cccc1C2(C)C ZINC000040466560 563144277 /nfs/dbraw/zinc/14/42/77/563144277.db2.gz VCKWJVQZLWRLGX-UHFFFAOYSA-N 2 0 466.626 3.481 1 0 JGAFRP