smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCCCCCCNc2cc(C)[nH+]c3cc(N)ccc23)c2ccc(N)cc2[nH+]1 ZINC000001562688 562923038 /nfs/dbraw/zinc/92/30/38/562923038.db2.gz SUIKBCMWWWPUGF-UHFFFAOYSA-N 2 0 428.584 5.649 1 0 IKAFRP c1ccc2cc(C[NH2+]CCCC[NH2+]CCC[NH2+]Cc3ccc4ccccc4c3)ccc2c1 ZINC000005843162 562945108 /nfs/dbraw/zinc/94/51/08/562945108.db2.gz WBEZSFOTIHPSFT-UHFFFAOYSA-N 3 0 425.620 5.632 1 0 IKAFRP c1ccc2cc(C[NH+]3CCC(C4CC[NH+](Cc5ccc6ccccc6c5)CC4)CC3)ccc2c1 ZINC000005923338 562945366 /nfs/dbraw/zinc/94/53/66/562945366.db2.gz YULBAFBCZPGOAB-UHFFFAOYSA-N 2 0 448.654 7.117 1 0 IKAFRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1c2ccccc2N[C@@H](C)[C@@H]1OC(=O)c1ccc(C)cc1 ZINC000013652395 562999359 /nfs/dbraw/zinc/99/93/59/562999359.db2.gz QOPNIRIEEPCFMN-SYUUKGODSA-N 2 0 437.628 5.176 1 0 IKAFRP Cc1n(C)c2ccccc2[n+]1CCCCCCCCCC[n+]1c2ccccc2n(C)c1C ZINC000013740394 563003030 /nfs/dbraw/zinc/00/30/30/563003030.db2.gz ORIUSWLSHQKOEX-UHFFFAOYSA-N 2 0 432.656 5.683 1 0 IKAFRP c1ccc2c(NCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)cc[nH+]c2c1 ZINC000013801264 563007862 /nfs/dbraw/zinc/00/78/62/563007862.db2.gz CRJKPYBOKIRWEV-UHFFFAOYSA-N 2 0 438.619 7.136 1 0 IKAFRP C[C@@H]([NH2+]C1CC[NH+](CCCc2c[nH]c3ccc(-n4ccnc4)cc23)CC1)c1ccccc1 ZINC000013802571 563007982 /nfs/dbraw/zinc/00/79/82/563007982.db2.gz MIEAXBUEPZRDHB-OAQYLSRUSA-N 2 0 427.596 5.101 1 0 IKAFRP Fc1ccc(CC[N@@H+]2CCC[C@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803922 563008212 /nfs/dbraw/zinc/00/82/12/563008212.db2.gz WPCCYICQOQQNOQ-RUZDIDTESA-N 2 0 446.610 5.476 1 0 IKAFRP c1ccc(CCC[N@@H+]2CCC[C@@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803924 563008257 /nfs/dbraw/zinc/00/82/57/563008257.db2.gz IQRFNUMAKGJEQR-MHZLTWQESA-N 2 0 442.647 5.727 1 0 IKAFRP CC[NH2+][C@@H](CC[C@@H]([NH3+])c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026177112 563029534 /nfs/dbraw/zinc/02/95/34/563029534.db2.gz SRWRCFLCLNMGOC-CVEARBPZSA-N 2 0 438.182 5.842 1 0 IKAFRP C[NH2+][C@H](CC[C@H]([NH2+]C)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026185638 563029718 /nfs/dbraw/zinc/02/97/18/563029718.db2.gz BEPDBBQEZYZSDU-IYBDPMFKSA-N 2 0 438.182 5.713 1 0 IKAFRP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026395721 563031719 /nfs/dbraw/zinc/03/17/19/563031719.db2.gz ONEALBXSYQQMFZ-QHCPKHFHSA-N 2 0 444.623 5.441 1 0 IKAFRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026395725 563031768 /nfs/dbraw/zinc/03/17/68/563031768.db2.gz ONEALBXSYQQMFZ-HSZRJFAPSA-N 2 0 444.623 5.441 1 0 IKAFRP Clc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000026656637 563034850 /nfs/dbraw/zinc/03/48/50/563034850.db2.gz CLVOVQDWCOTBAC-LMSSTIIKSA-N 2 0 445.050 6.435 1 0 IKAFRP C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C[NH3+])c2)C1=O ZINC000027330903 563041662 /nfs/dbraw/zinc/04/16/62/563041662.db2.gz ULSZLAGIIKREDZ-IPVFLDMMSA-N 2 0 435.612 5.045 1 0 IKAFRP CCC(CC)NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(=[NH2+])NC(CC)CC)cc3)o2)cc1 ZINC000028754993 563063304 /nfs/dbraw/zinc/06/33/04/563063304.db2.gz UXWHXHIUWKKMHX-UHFFFAOYSA-N 2 0 444.623 6.821 1 0 IKAFRP Clc1cccc([C@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000028885652 563068021 /nfs/dbraw/zinc/06/80/21/563068021.db2.gz VXDYSIRIWFJKDT-CLJLJLNGSA-N 2 0 425.016 5.877 1 0 IKAFRP COc1ccc(O[C@H](CC[NH+](C)C)c2ccc(OCCC[NH+]3CCCCC3)cc2)cc1 ZINC000028892895 563068458 /nfs/dbraw/zinc/06/84/58/563068458.db2.gz HXRQPFYBNJXVTR-AREMUKBSSA-N 2 0 426.601 5.022 1 0 IKAFRP CSc1ccc(O[C@H](CC[NH+](C)C)c2ccc(OCCC[NH+]3CCCCC3)cc2)cc1 ZINC000028892869 563068519 /nfs/dbraw/zinc/06/85/19/563068519.db2.gz WYKIMPHRITYBHB-AREMUKBSSA-N 2 0 442.669 5.735 1 0 IKAFRP COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1Cl ZINC000028893026 563068587 /nfs/dbraw/zinc/06/85/87/563068587.db2.gz WWSHLNJFRHBFML-HSZRJFAPSA-N 2 0 446.994 5.129 1 0 IKAFRP COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1Cl ZINC000028893018 563068607 /nfs/dbraw/zinc/06/86/07/563068607.db2.gz WWSHLNJFRHBFML-QHCPKHFHSA-N 2 0 446.994 5.129 1 0 IKAFRP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH2+]CCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040847403 563107580 /nfs/dbraw/zinc/10/75/80/563107580.db2.gz OTWHNMNAWANFMF-OCBUSCMESA-N 2 0 442.776 7.335 1 0 IKAFRP Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(C4CC[NH2+]CC4)c3)CC2)n1 ZINC000040860818 563108007 /nfs/dbraw/zinc/10/80/07/563108007.db2.gz YDWJETYFWHGWOK-UHFFFAOYSA-N 2 0 443.635 5.344 1 0 IKAFRP O=[N+]([O-])OCCC[NH2+]CCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000040863255 563108498 /nfs/dbraw/zinc/10/84/98/563108498.db2.gz ZJVLIHOGQSYZGR-UHFFFAOYSA-N 2 0 428.577 5.054 1 0 IKAFRP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H]([NH2+]CCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040876918 563109476 /nfs/dbraw/zinc/10/94/76/563109476.db2.gz CJNIQTILKDHCBB-OCBUSCMESA-N 2 0 442.776 7.335 1 0 IKAFRP CC(C)[C@H]1CC[N@H+](C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H]([NH3+])C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387902 563122067 /nfs/dbraw/zinc/12/20/67/563122067.db2.gz OWWFXCRBYSQOCJ-IWEKRLBRSA-N 2 0 438.744 6.671 1 0 IKAFRP c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)nc2c1 ZINC000045166975 563122235 /nfs/dbraw/zinc/12/22/35/563122235.db2.gz HPPGPWDMRXHJGL-UHFFFAOYSA-N 2 0 445.570 5.614 1 0 IKAFRP c1ccc2c(c1)CC([NH2+]Cc1ccc(-c3ccc(C[NH2+]CCc4cccnc4)cc3)cc1)C2 ZINC000045169081 563122752 /nfs/dbraw/zinc/12/27/52/563122752.db2.gz AUKQGUGZSUYSBR-UHFFFAOYSA-N 2 0 433.599 5.338 1 0 IKAFRP CC[NH+](CC)CCC[C@H](C)Nc1c2ccccc2[nH+]cc1-c1ccc(Br)cc1 ZINC000045202277 563124904 /nfs/dbraw/zinc/12/49/04/563124904.db2.gz UJFNYFYGEZKWLN-SFHVURJKSA-N 2 0 440.429 6.587 1 0 IKAFRP C[C@H]1CN(c2cc[nH+]c3ccc(Sc4ccc(Oc5ccccc5)cc4)cc32)C[C@H](C)[NH2+]1 ZINC000045203043 563125157 /nfs/dbraw/zinc/12/51/57/563125157.db2.gz PWOXOZQCXYPBMY-PMACEKPBSA-N 2 0 441.600 6.365 1 0 IKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000045209783 563125226 /nfs/dbraw/zinc/12/52/26/563125226.db2.gz JMTXEQWZLMCGBG-UHFFFAOYSA-N 2 0 441.663 5.853 1 0 IKAFRP [NH2+]=C(NCCCCCCCCNC(=[NH2+])Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000045210276 563125340 /nfs/dbraw/zinc/12/53/40/563125340.db2.gz YENUZWZUOBVPBU-UHFFFAOYSA-N 2 0 449.430 5.907 1 0 IKAFRP COc1ccc(C[NH+]2CCC(C[NH2+]CCc3ccccc3Oc3ccccc3)CC2)cc1 ZINC000045230512 563126084 /nfs/dbraw/zinc/12/60/84/563126084.db2.gz OGXXRRJSJGZIBW-UHFFFAOYSA-N 2 0 430.592 5.532 1 0 IKAFRP CC(C)C[NH2+]Cc1ccc(-c2ccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000045322066 563130265 /nfs/dbraw/zinc/13/02/65/563130265.db2.gz JWMGLOXMMBVFHY-UHFFFAOYSA-N 2 0 441.663 5.853 1 0 IKAFRP CCCC[C@H]([NH2+]CC)c1ccc(OCCOc2ccc([C@H](CCCC)[NH2+]CC)cc2)cc1 ZINC000045324555 563130932 /nfs/dbraw/zinc/13/09/32/563130932.db2.gz HICCCQRWIMAUGB-NSOVKSMOSA-N 2 0 440.672 6.826 1 0 IKAFRP CC[NH+](CC)CCCC[NH2+]Cc1cc2c3ccccc3n(Cc3cccc(Cl)c3)c2cn1 ZINC000053230460 563141324 /nfs/dbraw/zinc/14/13/24/563141324.db2.gz KMAPDGXSOHXLPO-UHFFFAOYSA-N 2 0 449.042 6.103 1 0 IKAFRP CC[NH+](CC)CCCC[NH2+]Cc1cc2c3ccccc3n(CCCc3ccccc3)c2cn1 ZINC000053294161 563141748 /nfs/dbraw/zinc/14/17/48/563141748.db2.gz FGZIFRSPSXGFNR-UHFFFAOYSA-N 2 0 442.651 6.034 1 0 IKAFRP CC[C@H]1C[N@@H+]2CC[C@@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000058536449 563144048 /nfs/dbraw/zinc/14/40/48/563144048.db2.gz WPRCHZNIQPXBQO-VLHXKCDLSA-N 2 0 440.635 5.443 1 0 IKAFRP CC[C@H]1C[N@@H+]2CC[C@@H]3c4ccccc4N[C@H]3[C@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000058547209 563144372 /nfs/dbraw/zinc/14/43/72/563144372.db2.gz WPRCHZNIQPXBQO-XZFXIZQRSA-N 2 0 440.635 5.443 1 0 IKAFRP Cc1ccc(C(=[NH2+])NCCCCCCCCCCCCNC(=[NH2+])c2ccc(C)cc2)cc1 ZINC000064549097 563155643 /nfs/dbraw/zinc/15/56/43/563155643.db2.gz YLLPMWUXWVGVMQ-UHFFFAOYSA-N 2 0 434.672 6.735 1 0 IKAFRP CC(C)c1cccc2c1[C@@H](CCCC[C@@H]1c3c(cccc3C(C)C)CC[N@H+]1C)[NH+](C)CC2 ZINC000073129727 563168627 /nfs/dbraw/zinc/16/86/27/563168627.db2.gz GWNFJINTBFKROJ-VSGBNLITSA-N 2 0 432.696 7.252 1 0 IKAFRP NC(=[NH2+])SCc1cccc2c3ccc(Br)c(CSC(N)=[NH2+])c3sc21 ZINC000084691011 563176594 /nfs/dbraw/zinc/17/65/94/563176594.db2.gz TUFWDUKGFYLACL-UHFFFAOYSA-N 2 0 439.429 5.070 1 0 IKAFRP NC(=[NH2+])Nc1ccc(CCc2ccc(NC(=O)CCCCCCCCCC[NH3+])cc2)cc1 ZINC000095598067 563192087 /nfs/dbraw/zinc/19/20/87/563192087.db2.gz YFOMMEDBGMQCJO-UHFFFAOYSA-N 2 0 437.632 5.185 1 0 IKAFRP C[NH+](C)CCSc1ccc(-c2ccc(-c3ccc(SCC[NH+](C)C)cc3)nn2)cc1 ZINC000001614121 562923108 /nfs/dbraw/zinc/92/31/08/562923108.db2.gz FTMOANCFBICKIO-UHFFFAOYSA-N 2 0 438.666 5.118 1 0 IKAFRP C[N@@H+]1CCc2ccc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc2[C@@H]1C1CCCCC1 ZINC000001909934 562925386 /nfs/dbraw/zinc/92/53/86/562925386.db2.gz XVWWDCXPGPSOQP-XQFUHLNNSA-N 2 0 437.631 6.504 1 0 IKAFRP CC(C)([NH3+])c1ccc(-c2nc(Nc3ccc(CC[NH+]4CCCC4)cc3)ncc2Cl)cc1 ZINC000003936525 562939504 /nfs/dbraw/zinc/93/95/04/562939504.db2.gz XPLSUUKNUUIIKH-UHFFFAOYSA-N 2 0 436.003 5.373 1 0 IKAFRP O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]CC2CCCCC2)CC1 ZINC000003964230 562940143 /nfs/dbraw/zinc/94/01/43/562940143.db2.gz NTDMYRNASRNVJL-UHFFFAOYSA-N 2 0 449.683 5.161 1 0 IKAFRP C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]([NH+]5CCCC5)CC[C@@]43C)[C@@H]1C[C@H]([NH+]1CCCCC1)[C@@H]2O ZINC000005540023 562943966 /nfs/dbraw/zinc/94/39/66/562943966.db2.gz ZTMOYBLCVNZQCK-JWLDDNKLSA-N 2 0 426.689 5.239 1 0 IKAFRP [NH3+]CCc1c2ccccc2[nH]c1[C@]1(c2c[nH]c3ccccc32)[NH2+]CCc2c3ccccc3[nH]c21 ZINC000013375817 562985879 /nfs/dbraw/zinc/98/58/79/562985879.db2.gz OAQQDJYICYMQEX-LJAQVGFWSA-N 2 0 445.570 5.069 1 0 IKAFRP C[NH+](C)Cc1ccc(CSCCCCCCCSCc2ccc(C[NH+](C)C)o2)o1 ZINC000013452578 562987554 /nfs/dbraw/zinc/98/75/54/562987554.db2.gz NOWQNKKWTMXZLC-UHFFFAOYSA-N 2 0 438.703 6.113 1 0 IKAFRP [NH3+]CC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000013475717 562988948 /nfs/dbraw/zinc/98/89/48/562988948.db2.gz MPEGRCNLPCPVSF-UHFFFAOYSA-N 2 0 449.038 5.349 1 0 IKAFRP CC(C)(C[NH2+]CCCc1ccccc1)C[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000013760437 563004917 /nfs/dbraw/zinc/00/49/17/563004917.db2.gz IOIBNVSZPMMFKU-UHFFFAOYSA-N 2 0 430.636 5.631 1 0 IKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000014947263 563015459 /nfs/dbraw/zinc/01/54/59/563015459.db2.gz BHOCVLCAWPPEOV-UHFFFAOYSA-N 2 0 436.603 6.455 1 0 IKAFRP [NH3+]CCCCC[NH2+]CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 ZINC000027860791 563047464 /nfs/dbraw/zinc/04/74/64/563047464.db2.gz MUOWNEOHEDDBCI-CYYJNZCTSA-N 2 0 435.011 5.939 1 0 IKAFRP NC(=[NH2+])c1ccc2ccc(Cn3c4ccccc4c4ccc(OC5CC[NH2+]CC5)cc43)cc2c1 ZINC000028094311 563050412 /nfs/dbraw/zinc/05/04/12/563050412.db2.gz GIXKBVCWMSZXME-UHFFFAOYSA-N 2 0 448.570 5.411 1 0 IKAFRP CC(C)(C)c1ccc([C@@H](C[NH2+]CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523876 563056354 /nfs/dbraw/zinc/05/63/54/563056354.db2.gz BRLXSTZIVYPJNE-GDLZYMKVSA-N 2 0 447.711 5.808 1 0 IKAFRP C[NH2+]Cc1cc(CCCC[NH+]2CCN(C3CC3)CC2)ccc1Oc1ccc(SC)cc1 ZINC000028825339 563066236 /nfs/dbraw/zinc/06/62/36/563066236.db2.gz KSRMXPIAWHFMID-UHFFFAOYSA-N 2 0 439.669 5.023 1 0 in-vitro IKAFRP NC(=[NH2+])c1ccc2oc(CCCCCCCCCc3cc4cc(C(N)=[NH2+])ccc4o3)cc2c1 ZINC000028870176 563067500 /nfs/dbraw/zinc/06/75/00/563067500.db2.gz MXYOZKCEQJLPGD-UHFFFAOYSA-N 2 0 444.579 6.263 1 0 IKAFRP CC(C)[NH+]1CCC(COc2cc3c(cn2)[C@H](c2ccc(Cl)c(Cl)c2)C[NH2+]C3)CC1 ZINC000028883635 563067934 /nfs/dbraw/zinc/06/79/34/563067934.db2.gz CQWSBUJEGUSBFA-IBGZPJMESA-N 2 0 434.411 5.123 1 0 IKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCCCC3)ncc2[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028882980 563067962 /nfs/dbraw/zinc/06/79/62/563067962.db2.gz HFOWUCXCCMJFIB-HXUWFJFHSA-N 2 0 434.411 5.221 1 0 IKAFRP CN(C)c1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028886031 563068148 /nfs/dbraw/zinc/06/81/48/563068148.db2.gz XHVBANRDQDBXCL-WUFINQPMSA-N 2 0 433.640 5.290 1 0 IKAFRP COc1cccc(O[C@@H](CC[NH+](C)C)c2ccc(OCCC[NH+]3CCCCC3)cc2)c1 ZINC000028892901 563068504 /nfs/dbraw/zinc/06/85/04/563068504.db2.gz VUURKLOSWJVNJP-SANMLTNESA-N 2 0 426.601 5.022 1 0 IKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000028893180 563068582 /nfs/dbraw/zinc/06/85/82/563068582.db2.gz LGUCWRBFHWJFMF-XMMPIXPASA-N 2 0 448.529 5.068 1 0 IKAFRP CCCCCC[NH+]=c1ccn(CCCCCCn2ccc(=[NH+]CCCCCC)cc2)cc1 ZINC000029231339 563076901 /nfs/dbraw/zinc/07/69/01/563076901.db2.gz PJVICVLIAODJGZ-UHFFFAOYSA-N 2 0 438.704 6.512 1 0 IKAFRP C(=C/c1ccc(-[n+]2ccccc2)cc1)\c1ccc(/C=C/c2ccc(-[n+]3ccccc3)cc2)cc1 ZINC000031414025 563083295 /nfs/dbraw/zinc/08/32/95/563083295.db2.gz GPGNZRGOXXAGOA-PHEQNACWSA-N 2 0 438.574 6.581 1 0 IKAFRP Clc1ccc([C@@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)[NH+]2CCCC2)cc1 ZINC000035246378 563089568 /nfs/dbraw/zinc/08/95/68/563089568.db2.gz KUMUIJJBYRFHEV-MUUNZHRXSA-N 2 0 431.023 6.324 1 0 IKAFRP Clc1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccc(Cl)cc4)C2[NH2+]CC3)cc1 ZINC000040410738 563101731 /nfs/dbraw/zinc/10/17/31/563101731.db2.gz PZCDMBQLEQDGIC-HHLXFHKQSA-N 2 0 429.435 6.241 1 0 IKAFRP C[NH+](C)CCCC(=O)Nc1ccc2c(c1)Sc1ccc(Cl)cc1N2CCC[NH+](C)C ZINC000040861650 563108083 /nfs/dbraw/zinc/10/80/83/563108083.db2.gz OQKCURMCZVPMAY-UHFFFAOYSA-N 2 0 447.048 5.175 1 0 IKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)c2)c1 ZINC000045195858 563124599 /nfs/dbraw/zinc/12/45/99/563124599.db2.gz FRVNLUMSVRQALM-UHFFFAOYSA-N 2 0 441.663 5.853 1 0 IKAFRP c1ccc2[nH]c(-c3cccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)c3)nc2c1 ZINC000045201891 563124772 /nfs/dbraw/zinc/12/47/72/563124772.db2.gz JDDANCOTOCKOQX-UHFFFAOYSA-N 2 0 445.570 5.614 1 0 IKAFRP c1ccc(C[N@@H+]2CCC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045245431 563126489 /nfs/dbraw/zinc/12/64/89/563126489.db2.gz AIBIZBHLSVNEOY-YVGDEESBSA-N 2 0 436.643 6.457 1 0 IKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccccc2C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000045324168 563130766 /nfs/dbraw/zinc/13/07/66/563130766.db2.gz KDOYMOHJUKBRQZ-UHFFFAOYSA-N 3 0 441.663 5.853 1 0 IKAFRP CC[NH+](CC)CCCC[NH2+]Cc1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1 ZINC000053294076 563141746 /nfs/dbraw/zinc/14/17/46/563141746.db2.gz RKPWBSWHHGAGOY-UHFFFAOYSA-N 2 0 432.587 5.589 1 0 IKAFRP C/C=C1\C[N@@H+]2CC[C@@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000058566793 563144549 /nfs/dbraw/zinc/14/45/49/563144549.db2.gz JBQRORTXNDQJOM-UPMLAETCSA-N 2 0 436.603 5.522 1 0 IKAFRP C[N@@H+]1CCC2([NH+]3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000058608810 563145787 /nfs/dbraw/zinc/14/57/87/563145787.db2.gz PXIVUBCUTXAWIW-ARIYZQMHSA-N 2 0 429.435 6.193 1 0 IKAFRP Nc1ccc(C(=[NH2+])NCCCCCCCCCCCCNC(=[NH2+])c2ccc(N)cc2)cc1 ZINC000064526907 563154396 /nfs/dbraw/zinc/15/43/96/563154396.db2.gz UDVAIAJXTHCFQD-UHFFFAOYSA-N 2 0 436.648 5.282 1 0 IKAFRP Cc1cc(C)c[n+](CCCCCc2ccccc2CCCCC[n+]2cc(C)cc(C)c2)c1 ZINC000071318897 563162149 /nfs/dbraw/zinc/16/21/49/563162149.db2.gz LYMPHNTWAGDOIE-UHFFFAOYSA-N 2 0 430.680 6.321 1 0 IKAFRP FC(F)(F)c1cccc(Cc2ccc3c(NCCC[NH2+]Cc4ccco4)cc[nH+]c3c2)c1 ZINC000072122627 563163909 /nfs/dbraw/zinc/16/39/09/563163909.db2.gz LXVRVQPBCVZLRX-UHFFFAOYSA-N 2 0 439.481 6.029 1 0 IKAFRP c1ccc(C[C@H](c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2)[NH+]2CCCCC2)cc1 ZINC000073224212 563170989 /nfs/dbraw/zinc/17/09/89/563170989.db2.gz WOSHDTVAQQKWQH-WJOKGBTCSA-N 2 0 438.659 7.109 1 0 IKAFRP Cc1cccc2[nH+]ccc(NCCC[NH+](C)CCCNc3cc[nH+]c4cccc(C)c34)c12 ZINC000084707196 563176988 /nfs/dbraw/zinc/17/69/88/563176988.db2.gz PPNWPLIDAKUMDO-UHFFFAOYSA-N 3 0 427.596 5.636 1 0 IKAFRP NC(=[NH2+])Nc1ccc(Oc2ccc(NC(=O)CCCCCCCCCC[NH3+])cc2)cc1 ZINC000095594751 563191097 /nfs/dbraw/zinc/19/10/97/563191097.db2.gz LJDBXQNOHFEDQO-UHFFFAOYSA-N 2 0 425.577 5.192 1 0 IKAFRP C[N@@H+]1CCc2ccc([C@@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc2[C@H]1C1CCCCC1 ZINC000253837830 581095737 /nfs/dbraw/zinc/09/57/37/581095737.db2.gz XVWWDCXPGPSOQP-HPUNYJORSA-N 2 0 437.631 6.504 1 0 IKAFRP c1ccc2c(c1)[nH]c1c[n+](CCCCCCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12 ZINC000049066634 581091222 /nfs/dbraw/zinc/09/12/22/581091222.db2.gz SDPXNKGYSRXIBE-UHFFFAOYSA-P 2 0 434.587 6.181 1 0 IKAFRP Clc1ccc(OCCC2CC[NH+](CCCCCC[NH+]3CCCCC3)CC2)cc1Cl ZINC000003813667 562938449 /nfs/dbraw/zinc/93/84/49/562938449.db2.gz SLJJXLUUEOWITH-UHFFFAOYSA-N 2 0 441.487 6.521 1 0 IKAFRP c1ccc2c(c1)cccc2C[NH+]1CCC(C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000005888461 562945323 /nfs/dbraw/zinc/94/53/23/562945323.db2.gz NMZQKJNXVWZWES-UHFFFAOYSA-N 2 0 448.654 7.117 1 0 IKAFRP C(CCC[NH2+]CCC[NH2+]CC1CCCCC1)CCC[NH2+]CCC[NH2+]CC1CCCCC1 ZINC000013528247 562991886 /nfs/dbraw/zinc/99/18/86/562991886.db2.gz FLBRMQPKQHZSIJ-UHFFFAOYSA-N 4 0 436.773 5.236 1 0 IKAFRP C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C[NH3+])c2)C1=O ZINC000013834504 563011980 /nfs/dbraw/zinc/01/19/80/563011980.db2.gz ULSZLAGIIKREDZ-YZIHRLCOSA-N 2 0 435.612 5.045 1 0 IKAFRP Oc1ccc2c(c1)CC[N@@H+](Cc1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026657454 563034891 /nfs/dbraw/zinc/03/48/91/563034891.db2.gz GYKURIAKKZGNMS-MUUNZHRXSA-N 2 0 428.576 5.015 1 0 IKAFRP Oc1ccc2c(c1)CC[N@@H+](Cc1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026657459 563034907 /nfs/dbraw/zinc/03/49/07/563034907.db2.gz GYKURIAKKZGNMS-NDEPHWFRSA-N 2 0 428.576 5.015 1 0 IKAFRP [NH2+]=C(/C=C/c1ccc(-c2cn3cc(/C=C/C(=[NH2+])N4CCCC4)ccc3n2)cc1)N1CCCC1 ZINC000027431338 563042267 /nfs/dbraw/zinc/04/22/67/563042267.db2.gz NLWDKRPBFSTTOB-CZATWNOASA-N 2 0 438.579 5.174 1 0 IKAFRP c1ccc(-c2ccc(C[NH2+]CCCCC[NH2+]Cc3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000028259853 563052464 /nfs/dbraw/zinc/05/24/64/563052464.db2.gz XWPAZWAWSCIBOP-UHFFFAOYSA-N 2 0 434.627 7.070 1 0 IKAFRP CN(c1ccccc1)c1cc[n+](C[C@H]2C[C@@H]2C[n+]2ccc(N(C)c3ccccc3)cc2)cc1 ZINC000028460674 563055075 /nfs/dbraw/zinc/05/50/75/563055075.db2.gz IBBBUIJTXFXVKQ-JWQCQUIFSA-N 2 0 436.603 5.134 1 0 IKAFRP COc1ccc([C@H](C[NH2+]CCc2cc(C)cc(C)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028521978 563056024 /nfs/dbraw/zinc/05/60/24/563056024.db2.gz XAIQPFDJGIZCFB-LJAQVGFWSA-N 2 0 449.683 5.136 1 0 IKAFRP COc1ccc([C@@H](C[NH2+]CCc2cc(C)cc(C)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028521975 563056027 /nfs/dbraw/zinc/05/60/27/563056027.db2.gz XAIQPFDJGIZCFB-GDLZYMKVSA-N 2 0 449.683 5.136 1 0 IKAFRP CN(C)C(=[NH2+])c1ccc2oc(CCCCc3cc4cc(C(=[NH2+])N(C)C)ccc4o3)cc2c1 ZINC000028870120 563067488 /nfs/dbraw/zinc/06/74/88/563067488.db2.gz JGNAXLRYLRVQIZ-UHFFFAOYSA-N 2 0 430.552 5.518 1 0 IKAFRP Clc1ccc([C@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885628 563068014 /nfs/dbraw/zinc/06/80/14/563068014.db2.gz QQWLHACUUDXPDH-CLJLJLNGSA-N 2 0 425.016 5.877 1 0 IKAFRP Clc1ccccc1[C@@H]1C[N@@H+]2CCC[C@@H]2c2cc(OCCC[NH+]3CCCCC3)ccc21 ZINC000028885658 563068061 /nfs/dbraw/zinc/06/80/61/563068061.db2.gz RUXYPQKVSNTODL-AOYPEHQESA-N 2 0 425.016 5.877 1 0 IKAFRP COc1ccc(O[C@@H](CC[NH+](C)C)c2ccc(OCCC[NH+]3CCCCC3)cc2)cc1 ZINC000028892889 563068469 /nfs/dbraw/zinc/06/84/69/563068469.db2.gz HXRQPFYBNJXVTR-SANMLTNESA-N 2 0 426.601 5.022 1 0 IKAFRP CSc1ccc(O[C@@H](CC[NH+](C)C)c2ccc(OCCC[NH+]3CCCCC3)cc2)cc1 ZINC000028892863 563068497 /nfs/dbraw/zinc/06/84/97/563068497.db2.gz WYKIMPHRITYBHB-SANMLTNESA-N 2 0 442.669 5.735 1 0 IKAFRP CC[NH+](CC)CCCCN(CCCC[NH+](CC)CC)c1ccnc2cc(Cl)ccc21 ZINC000029052895 563073209 /nfs/dbraw/zinc/07/32/09/563073209.db2.gz QMDJEAIITBYSNG-UHFFFAOYSA-N 2 0 433.084 5.939 1 0 IKAFRP Clc1ccc([C@@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)N2CC[NH2+]CC2)cc1 ZINC000029135348 563076285 /nfs/dbraw/zinc/07/62/85/563076285.db2.gz YLMLFFMCJGOACB-MUUNZHRXSA-N 2 0 446.038 5.133 1 0 IKAFRP O=C(Nc1ccc2[nH+]ccc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1)c1ccc(Cl)c(Cl)c1 ZINC000034012812 563085334 /nfs/dbraw/zinc/08/53/34/563085334.db2.gz QYFXAWGBRVJHGG-KRWDZBQOSA-N 2 0 441.362 5.078 1 0 IKAFRP CC(C)[C@H]1CC[NH2+][C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036464946 563095355 /nfs/dbraw/zinc/09/53/55/563095355.db2.gz DJOKKNIZCWEFCB-FBSYYHCPSA-N 2 0 426.733 6.553 1 0 IKAFRP CC[C@H]1C[N@@H+]2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000040392951 563100107 /nfs/dbraw/zinc/10/01/07/563100107.db2.gz WPRCHZNIQPXBQO-YTIQZADCSA-N 2 0 440.635 5.443 1 0 IKAFRP COc1cc2[nH+]ccc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/[C@@H](C)[NH+](C)C ZINC000040913468 563111071 /nfs/dbraw/zinc/11/10/71/563111071.db2.gz VJCSJCNFHDFCJI-LHRNQBEKSA-N 2 0 442.922 5.224 1 0 IKAFRP CC[NH+](CC)CCC(=O)O[C@@H]1CC2([NH+](C)C)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040918015 563111700 /nfs/dbraw/zinc/11/17/00/563111700.db2.gz NULAGCGZKPDSHP-IEVNGSTESA-N 2 0 448.651 5.312 1 0 IKAFRP CC(C)NC(=[NH2+])c1cccc(OCCCCCCOc2cccc(C(=[NH2+])NC(C)C)c2)c1 ZINC000040950007 563113831 /nfs/dbraw/zinc/11/38/31/563113831.db2.gz XHNWKBLCPOGJQR-UHFFFAOYSA-N 2 0 438.616 5.352 1 0 IKAFRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)cc1 ZINC000045167010 563122219 /nfs/dbraw/zinc/12/22/19/563122219.db2.gz JOHAVCJNQGWSRX-UHFFFAOYSA-N 2 0 436.534 5.785 1 0 IKAFRP Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(NCCCCc2ccccc2)[nH+]1 ZINC000045167385 563122370 /nfs/dbraw/zinc/12/23/70/563122370.db2.gz ARZIPOAQGFHWKE-UHFFFAOYSA-N 2 0 429.612 5.296 1 0 IKAFRP COc1cc(NCCC[NH2+]CC2c3ccccc3Oc3ccccc32)nc2ccccc21 ZINC000045194313 563124161 /nfs/dbraw/zinc/12/41/61/563124161.db2.gz CONRTMPWOLSGRB-UHFFFAOYSA-N 2 0 425.532 5.573 1 0 IKAFRP CC[NH+](CC)CCC[C@@H](C)Nc1c2ccccc2[nH+]cc1-c1ccc(Br)cc1 ZINC000045202275 563124943 /nfs/dbraw/zinc/12/49/43/563124943.db2.gz UJFNYFYGEZKWLN-GOSISDBHSA-N 2 0 440.429 6.587 1 0 IKAFRP COc1ccc(C[NH2+]CCCCCCC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000045210566 563125269 /nfs/dbraw/zinc/12/52/69/563125269.db2.gz QTGCLMSNIOJXEK-UHFFFAOYSA-N 2 0 443.846 6.485 1 0 IKAFRP Oc1ccc2[nH]cc(C3CC[NH+](CCC[NH2+]Cc4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000045227664 563125642 /nfs/dbraw/zinc/12/56/42/563125642.db2.gz YJRJBHIZAKXOML-UHFFFAOYSA-N 2 0 439.603 5.900 1 0 IKAFRP c1ccc(COc2cc[nH+]c(NCCCOc3cccc(C[NH+]4CCCCC4)c3)c2)cc1 ZINC000045228919 563125831 /nfs/dbraw/zinc/12/58/31/563125831.db2.gz ASQUENVVUBKLLO-UHFFFAOYSA-N 2 0 431.580 5.528 1 0 IKAFRP Cc1cc(NCCCCCCNc2cc(C)[nH+]c3c(C)cccc23)c2cccc(C)c2[nH+]1 ZINC000045229393 563125867 /nfs/dbraw/zinc/12/58/67/563125867.db2.gz ZARYECUOUMFKAE-UHFFFAOYSA-N 2 0 426.608 7.101 1 0 IKAFRP c1ccc(C[NH2+]Cc2ccc(CN3CC[NH2+]CCCCCCc4cccc(c4)C3)cc2)nc1 ZINC000045316624 563129863 /nfs/dbraw/zinc/12/98/63/563129863.db2.gz WPQODPUWGDCTMU-UHFFFAOYSA-N 2 0 442.651 5.080 1 0 IKAFRP CN(CCC[NH2+]Cc1ccc2ccccc2c1)CCC[NH2+]Cc1ccc2ccccc2c1 ZINC000045334666 563131045 /nfs/dbraw/zinc/13/10/45/563131045.db2.gz WMTGXYHHBSTTAT-UHFFFAOYSA-N 2 0 425.620 5.584 1 0 IKAFRP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C[NH2+]Cc3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000045355078 563132503 /nfs/dbraw/zinc/13/25/03/563132503.db2.gz LKQGHSUWOGXTSB-WMPKNSHKSA-N 2 0 434.712 6.967 1 0 IKAFRP CC[C@H]1C[N@@H+]2CC[C@@H]3c4ccccc4N[C@@H]3[C@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000045483949 563134194 /nfs/dbraw/zinc/13/41/94/563134194.db2.gz WPRCHZNIQPXBQO-OKMFBQAESA-N 2 0 440.635 5.443 1 0 IKAFRP c1ccc(C[N@@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@H]2CCCc3cccnc32)cc1 ZINC000049071124 563137793 /nfs/dbraw/zinc/13/77/93/563137793.db2.gz NJDVDIVVFUXOHL-LJAQVGFWSA-N 2 0 448.614 5.846 1 0 IKAFRP CSc1ccc([C@@H]2C[N@@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058509683 563143816 /nfs/dbraw/zinc/14/38/16/563143816.db2.gz ZJAKASJNDYDJES-SVBPBHIXSA-N 2 0 436.665 5.946 1 0 IKAFRP Clc1ccc([C@@H]2C[N@@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058685450 563146091 /nfs/dbraw/zinc/14/60/91/563146091.db2.gz QQWLHACUUDXPDH-UIOOFZCWSA-N 2 0 425.016 5.877 1 0 IKAFRP [NH3+]CCCCCCCCC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000066097263 563157937 /nfs/dbraw/zinc/15/79/37/563157937.db2.gz AKXIVMUNQXHFIC-UHFFFAOYSA-N 2 0 437.628 6.056 1 0 IKAFRP C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H]([NH+](C)C)C4(C)C)[NH+](C)C ZINC000066100807 563158169 /nfs/dbraw/zinc/15/81/69/563158169.db2.gz MALAIGCWTXNVKA-DVSVOVCNSA-N 2 0 428.705 5.363 1 0 IKAFRP COc1ccc(C[NH2+]CCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1OC ZINC000066252017 563160053 /nfs/dbraw/zinc/16/00/53/563160053.db2.gz VLMYISPXOPHGBW-UHFFFAOYSA-N 2 0 447.623 5.893 1 0 IKAFRP COc1cc(C[NH2+]CCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc2c1OCO2 ZINC000066259171 563160487 /nfs/dbraw/zinc/16/04/87/563160487.db2.gz XJKGIESPCSDUQH-UHFFFAOYSA-N 2 0 447.579 5.223 1 0 IKAFRP Cc1cc[n+](CCCCCc2cccc(CCCCC[n+]3ccc(C)c(C)c3)c2)cc1C ZINC000071294229 563161527 /nfs/dbraw/zinc/16/15/27/563161527.db2.gz WDDLQCAELYOCTH-UHFFFAOYSA-N 2 0 430.680 6.321 1 0 IKAFRP NC(=[NH2+])SCc1cc(F)ccc1Sc1ccc(C(F)(F)F)cc1CSC(N)=[NH2+] ZINC000084708889 563177111 /nfs/dbraw/zinc/17/71/11/563177111.db2.gz IFGQXQWCEDKROS-UHFFFAOYSA-N 2 0 448.536 5.249 1 0 IKAFRP COc1ccccc1N1CC[NH+](Cc2cc(C[NH+]3CCCCC3)c3cccccc2-3)CC1 ZINC000095558121 563181757 /nfs/dbraw/zinc/18/17/57/563181757.db2.gz IOFOPIMDJBEBFZ-UHFFFAOYSA-N 2 0 429.608 5.108 1 0 IKAFRP C[N@@H+]1CCc2ccc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc2[C@H]1C1CCCCC1 ZINC000253837834 581095707 /nfs/dbraw/zinc/09/57/07/581095707.db2.gz XVWWDCXPGPSOQP-IUAQSZDVSA-N 2 0 437.631 6.504 1 0 IKAFRP Cc1cc(NCCCCCCCNc2cc(C)[nH+]c3cc(N)ccc23)c2ccc(N)cc2[nH+]1 ZINC000001561345 562923027 /nfs/dbraw/zinc/92/30/27/562923027.db2.gz QZWSSKXXZSJIMA-UHFFFAOYSA-N 2 0 442.611 6.039 1 0 IKAFRP [NH3+]CCc1c2ccccc2[nH]c1[C@@]1(c2c[nH]c3ccccc32)[NH2+]CCc2c3ccccc3[nH]c21 ZINC000013375818 562985871 /nfs/dbraw/zinc/98/58/71/562985871.db2.gz OAQQDJYICYMQEX-GDLZYMKVSA-N 2 0 445.570 5.069 1 0 IKAFRP C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@@H](c2cccc(C[NH3+])c2)C1=O ZINC000013834505 563011998 /nfs/dbraw/zinc/01/19/98/563011998.db2.gz ULSZLAGIIKREDZ-UZINWLIJSA-N 2 0 435.612 5.045 1 0 IKAFRP Cc1cc(NCCCCCCCCNc2cc(C)[nH+]c3ccccc23)c2ccccc2[nH+]1 ZINC000014947240 563015460 /nfs/dbraw/zinc/01/54/60/563015460.db2.gz IFKSBBCVDFNDDD-UHFFFAOYSA-N 2 0 426.608 7.264 1 0 IKAFRP C[NH2+]CCC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000014978665 563017266 /nfs/dbraw/zinc/01/72/66/563017266.db2.gz KBVZAQAFMUFMQN-DQSJHHFOSA-N 2 0 430.592 5.291 1 0 IKAFRP COc1ccc(CCC[NH+]2CCC(C[NH2+]C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026001356 563028177 /nfs/dbraw/zinc/02/81/77/563028177.db2.gz NZKSOKXMBIMKFB-UHFFFAOYSA-N 2 0 428.620 5.719 1 0 IKAFRP Fc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026664141 563035104 /nfs/dbraw/zinc/03/51/04/563035104.db2.gz UAASWCCHNDDVQA-LMSSTIIKSA-N 2 0 428.595 5.921 1 0 IKAFRP C[NH+](CCN(CC[NH+](C)C1CCCCC1)CC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC000028250349 563052236 /nfs/dbraw/zinc/05/22/36/563052236.db2.gz BXZAGRNTBXFXGY-UHFFFAOYSA-N 3 0 434.757 5.082 1 0 IKAFRP CC(C)(C)c1ccc([C@H](C[NH2+]CCc2ccccc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523877 563056342 /nfs/dbraw/zinc/05/63/42/563056342.db2.gz BRLXSTZIVYPJNE-LJAQVGFWSA-N 2 0 447.711 5.808 1 0 IKAFRP C[NH2+]Cc1cc(CCCC[NH+]2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1 ZINC000028825338 563066258 /nfs/dbraw/zinc/06/62/58/563066258.db2.gz OITIJKINXHWSKF-UHFFFAOYSA-N 2 0 441.685 5.269 1 0 in-vitro IKAFRP CC(C)NC(=[NH2+])c1ccc2oc(CCc3cc4cc(C(=[NH2+])NC(C)C)ccc4o3)cc2c1 ZINC000028870063 563067447 /nfs/dbraw/zinc/06/74/47/563067447.db2.gz UCMYSCCGKGRMPT-UHFFFAOYSA-N 2 0 430.552 5.611 1 0 IKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000028893174 563068593 /nfs/dbraw/zinc/06/85/93/563068593.db2.gz LGUCWRBFHWJFMF-DEOSSOPVSA-N 2 0 448.529 5.068 1 0 IKAFRP c1cn(CCCCCCn2ccc(=[NH+]C3CCCCC3)cc2)ccc1=[NH+]C1CCCCC1 ZINC000029242284 563077103 /nfs/dbraw/zinc/07/71/03/563077103.db2.gz TYSVUGIIFGUACF-UHFFFAOYSA-N 2 0 434.672 6.017 1 0 IKAFRP Clc1ccc([C@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)[NH+]2CCCC2)cc1 ZINC000035246380 563089643 /nfs/dbraw/zinc/08/96/43/563089643.db2.gz KUMUIJJBYRFHEV-NDEPHWFRSA-N 2 0 431.023 6.324 1 0 IKAFRP c1ccc2c(c1)cccc2C[NH2+]CCCC[NH2+]CCC[NH2+]Cc1cccc2ccccc21 ZINC000036294439 563092552 /nfs/dbraw/zinc/09/25/52/563092552.db2.gz MLWPNZQFWRBZDW-UHFFFAOYSA-N 3 0 425.620 5.632 1 0 IKAFRP CC(C)[C@@H]1CC[NH2+][C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036464943 563095292 /nfs/dbraw/zinc/09/52/92/563095292.db2.gz DJOKKNIZCWEFCB-NVFICMDJSA-N 2 0 426.733 6.553 1 0 IKAFRP CC[NH+](CC)CCCOc1ccc2oc3ccc(OCCC[NH+](CC)CC)cc3c2c1 ZINC000039208136 563098759 /nfs/dbraw/zinc/09/87/59/563098759.db2.gz XSZUTUPBPUKMKI-UHFFFAOYSA-N 2 0 426.601 5.807 1 0 IKAFRP CC[C@H]1C[N@@H+]2CC[C@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000040392952 563100105 /nfs/dbraw/zinc/10/01/05/563100105.db2.gz WPRCHZNIQPXBQO-OVBBMAEPSA-N 2 0 440.635 5.443 1 0 IKAFRP NC(=[NH2+])Nc1ccc(CCCCCCCCCCCCc2ccc(NC(N)=[NH2+])cc2)cc1 ZINC000040564593 563104691 /nfs/dbraw/zinc/10/46/91/563104691.db2.gz PDAFQWNTVIGZQH-UHFFFAOYSA-N 2 0 436.648 5.984 1 0 IKAFRP C[NH+](C)CCCn1c(-c2cncc(-c3ccc(OCC[NH+](C)C)cc3)c2)cc2ccccc21 ZINC000040918852 563111927 /nfs/dbraw/zinc/11/19/27/563111927.db2.gz HEWZYKXZOHINFJ-UHFFFAOYSA-N 2 0 442.607 5.262 1 0 IKAFRP C/C=C1\C[N@@H+]2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000042877931 563115840 /nfs/dbraw/zinc/11/58/40/563115840.db2.gz JBQRORTXNDQJOM-KUXKYDNSSA-N 2 0 436.603 5.522 1 0 IKAFRP CC(C)[C@@H]1CC[N@H+](C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H]([NH3+])C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387896 563121973 /nfs/dbraw/zinc/12/19/73/563121973.db2.gz OWWFXCRBYSQOCJ-MMLDUVECSA-N 2 0 438.744 6.671 1 0 IKAFRP C[NH+](C)CCCn1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cc(-c3ccccc3)ccc21 ZINC000045210999 563125341 /nfs/dbraw/zinc/12/53/41/563125341.db2.gz IXZYYUCUYIPXGB-VSGJHWFKSA-N 2 0 445.607 5.042 1 0 IKAFRP Clc1ccc(C[NH2+]CCCCCCC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000045230525 563126103 /nfs/dbraw/zinc/12/61/03/563126103.db2.gz IWYPCVJRZOJJBP-UHFFFAOYSA-N 2 0 448.265 7.130 1 0 IKAFRP [NH2+]=C(CCCCCCCCCCCCC(=[NH2+])NCc1ccccc1)NCc1ccccc1 ZINC000045255827 563127348 /nfs/dbraw/zinc/12/73/48/563127348.db2.gz NORGCGARKDNLBO-UHFFFAOYSA-N 2 0 434.672 7.202 1 0 IKAFRP CC(C)[C@H](C[NH2+]Cc1ccccc1)N1CC[N@H+](CCC2CCCC2)[C@@H](Cc2ccccc2)C1 ZINC000045284792 563128086 /nfs/dbraw/zinc/12/80/86/563128086.db2.gz RHYCSWWHAWJGGM-KYJUHHDHSA-N 2 0 447.711 5.610 1 0 IKAFRP Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]Cc5ccc(C[NH3+])cc5)c4)s3)nc21 ZINC000045303214 563129682 /nfs/dbraw/zinc/12/96/82/563129682.db2.gz DOJGKDVHMAFCCK-UHFFFAOYSA-N 2 0 438.600 6.015 1 0 IKAFRP COc1cc2c(cc1OC)C[C@@H]([NH2+]CCCCCC[NH2+]CCc1ccc(Cl)cc1)CC2 ZINC000045335105 563131271 /nfs/dbraw/zinc/13/12/71/563131271.db2.gz WEOLNZUFAGKCOI-DEOSSOPVSA-N 2 0 445.047 5.197 1 0 IKAFRP COc1cc2c(cc1OC)C[C@H]([NH2+]CCCCCC[NH2+]CCc1ccc(Cl)cc1)CC2 ZINC000045335103 563131312 /nfs/dbraw/zinc/13/13/12/563131312.db2.gz WEOLNZUFAGKCOI-XMMPIXPASA-N 2 0 445.047 5.197 1 0 IKAFRP O=C1Nc2cccc3c2[C@@]1(CCCCC[NH+]1CCC(c2c[nH]c4cc[nH+]cc42)CC1)CCC3 ZINC000045336803 563131476 /nfs/dbraw/zinc/13/14/76/563131476.db2.gz NGDMPGBEYGPASA-MUUNZHRXSA-N 2 0 442.607 5.529 1 0 IKAFRP CCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCC)cc2)cc1 ZINC000045350964 563132268 /nfs/dbraw/zinc/13/22/68/563132268.db2.gz INGFOTJSFXBYIM-UHFFFAOYSA-N 2 0 438.744 7.548 1 0 IKAFRP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C[NH2+]Cc3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000045355084 563132524 /nfs/dbraw/zinc/13/25/24/563132524.db2.gz LKQGHSUWOGXTSB-CLJLJLNGSA-N 2 0 434.712 6.967 1 0 IKAFRP CC(C)NC(=[NH2+])c1ccc(-c2ccc(-c3nc4ccc(C(=[NH2+])NC(C)C)cc4s3)o2)cc1 ZINC000045357770 563132799 /nfs/dbraw/zinc/13/27/99/563132799.db2.gz FWGJVCKJCJHPEA-UHFFFAOYSA-N 2 0 445.592 5.870 1 0 IKAFRP CCCCc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C[NH2+]Cc3ccc(CCCC)cc3)C2)cc1 ZINC000045366961 563133068 /nfs/dbraw/zinc/13/30/68/563133068.db2.gz HUJQOWNAHABIMR-RNPORBBMSA-N 2 0 434.712 7.058 1 0 IKAFRP c1ccc(C[N@@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)cc1 ZINC000049071121 563137779 /nfs/dbraw/zinc/13/77/79/563137779.db2.gz NJDVDIVVFUXOHL-GDLZYMKVSA-N 2 0 448.614 5.846 1 0 IKAFRP CC[NH+](CC)CCC(=O)O[C@@H]1CC2([NH+](C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000058538614 563144076 /nfs/dbraw/zinc/14/40/76/563144076.db2.gz NULAGCGZKPDSHP-YSPZNPPASA-N 2 0 448.651 5.312 1 0 IKAFRP C[NH+](C)C12C[C@@H](c3ccccc3)C([C@H](c3ccccc3)C1)[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000064379432 563152792 /nfs/dbraw/zinc/15/27/92/563152792.db2.gz YQBDNYJILQTAQT-HZVHRBLSSA-N 3 0 445.695 5.599 1 0 IKAFRP Oc1ccc(C[NH2+]CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000071282428 563161533 /nfs/dbraw/zinc/16/15/33/563161533.db2.gz SBZRQYNEDCHZSE-UHFFFAOYSA-N 2 0 431.624 6.362 1 0 IKAFRP COc1ccc(F)cc1C[NH2+]CCCNc1cc[nH+]c2cc(-c3ccc(F)cc3)ccc12 ZINC000072123053 563164006 /nfs/dbraw/zinc/16/40/06/563164006.db2.gz MVOJNWQHXCNMBO-UHFFFAOYSA-N 2 0 433.502 5.780 1 0 IKAFRP CC(C)c1cccc2cc[n+](C)c(CCCCCc3c4c(cccc4C(C)C)cc[n+]3C)c21 ZINC000073129550 563168633 /nfs/dbraw/zinc/16/86/33/563168633.db2.gz RKARHHCCHCTCIN-UHFFFAOYSA-N 2 0 440.675 6.844 1 0 IKAFRP c1ccc(C[C@@H](c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2)[NH+]2CCCCC2)cc1 ZINC000073224211 563170951 /nfs/dbraw/zinc/17/09/51/563170951.db2.gz WOSHDTVAQQKWQH-HKBQPEDESA-N 2 0 438.659 7.109 1 0 IKAFRP NC(=[NH2+])SCc1cc(Cl)ccc1Sc1ccc(Cl)cc1CSC(N)=[NH2+] ZINC000084690962 563176516 /nfs/dbraw/zinc/17/65/16/563176516.db2.gz OOTAEMOWZJVODF-UHFFFAOYSA-N 2 0 431.439 5.398 1 0 IKAFRP CCn1c2ccc(OCC[NH+]3CCCCC3)cc2c2cc(OCC[NH+]3CCCCC3)ccc21 ZINC000005389843 562943935 /nfs/dbraw/zinc/94/39/35/562943935.db2.gz POMAEAYNLJCETQ-UHFFFAOYSA-N 2 0 449.639 5.544 1 0 IKAFRP C[NH+](C)Cc1ccc(CSCc2cccc(CSCc3ccc(C[NH+](C)C)o3)c2)o1 ZINC000013452606 562987525 /nfs/dbraw/zinc/98/75/25/562987525.db2.gz BTXJVBGYXBCASF-UHFFFAOYSA-N 2 0 444.666 5.863 1 0 IKAFRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1c2ccccc2N[C@@H](C)[C@@H]1OC(=O)c1ccc(C)cc1 ZINC000013652396 562999350 /nfs/dbraw/zinc/99/93/50/562999350.db2.gz QOPNIRIEEPCFMN-KCXKOMAXSA-N 2 0 437.628 5.176 1 0 IKAFRP Clc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH+]1CCC(c2ccccc2)CC1 ZINC000026653897 563034696 /nfs/dbraw/zinc/03/46/96/563034696.db2.gz AIBUJZOURZLWNC-XCZPVHLTSA-N 2 0 445.050 6.435 1 0 IKAFRP c1ccc(CCC[N@@H+]2C[C@H](C[NH+]3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000026654388 563034764 /nfs/dbraw/zinc/03/47/64/563034764.db2.gz SAGVACGYDFCJIK-IOWSJCHKSA-N 2 0 438.659 6.214 1 0 IKAFRP c1ccc2c(c1)Cc1cc(C[NH2+]CCCC[NH2+]Cc3ccc4c(c3)Cc3ccccc3-4)ccc1-2 ZINC000028251675 563052244 /nfs/dbraw/zinc/05/22/44/563052244.db2.gz UYVQIRZDKXJWGH-UHFFFAOYSA-N 2 0 444.622 6.489 1 0 IKAFRP c1sc2ccccc2[n+]1CCCCCCCCCCCC[n+]1csc2ccccc21 ZINC000028520372 563055937 /nfs/dbraw/zinc/05/59/37/563055937.db2.gz UEHALNBKMKOLPB-UHFFFAOYSA-N 2 0 438.706 7.292 1 0 IKAFRP c1ccc2cc(CCC[NH2+]CCNCC[NH2+]CCCc3ccc4ccccc4c3)ccc2c1 ZINC000028642400 563060544 /nfs/dbraw/zinc/06/05/44/563060544.db2.gz IYUFOFCIFSAYKY-UHFFFAOYSA-N 2 0 439.647 5.327 1 0 IKAFRP CC(C)NC(=[NH2+])c1ccc2oc(CCc3cc4ccc(C(=[NH2+])NC(C)C)cc4o3)cc2c1 ZINC000028870073 563067490 /nfs/dbraw/zinc/06/74/90/563067490.db2.gz BGHYPUJHBDATNW-UHFFFAOYSA-N 2 0 430.552 5.611 1 0 IKAFRP CC(C)[NH+]1CCC(COc2cc3c(cn2)[C@H](c2ccc(Cl)c(Cl)c2)C[N@H+](C)C3)CC1 ZINC000028883649 563067901 /nfs/dbraw/zinc/06/79/01/563067901.db2.gz HRDUUEDPDCVSJF-NRFANRHFSA-N 2 0 448.438 5.465 1 0 IKAFRP CC(C)[NH+]1CCC(COc2cc3c(cn2)[C@@H](c2ccc(Cl)c(Cl)c2)C[N@H+](C)C3)CC1 ZINC000028883656 563067907 /nfs/dbraw/zinc/06/79/07/563067907.db2.gz HRDUUEDPDCVSJF-OAQYLSRUSA-N 2 0 448.438 5.465 1 0 IKAFRP CC(C)[NH+]1CCC(COc2cc3c(cn2)[C@@H](c2ccc(Cl)c(Cl)c2)C[NH2+]C3)CC1 ZINC000028883642 563067954 /nfs/dbraw/zinc/06/79/54/563067954.db2.gz CQWSBUJEGUSBFA-LJQANCHMSA-N 2 0 434.411 5.123 1 0 IKAFRP Clc1ccccc1[C@H]1C[N@@H+]2CCC[C@@H]2c2cc(OCCC[NH+]3CCCCC3)ccc21 ZINC000028885665 563068029 /nfs/dbraw/zinc/06/80/29/563068029.db2.gz RUXYPQKVSNTODL-AZGAKELHSA-N 2 0 425.016 5.877 1 0 IKAFRP Clc1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885621 563068039 /nfs/dbraw/zinc/06/80/39/563068039.db2.gz QQWLHACUUDXPDH-IZZNHLLZSA-N 2 0 425.016 5.877 1 0 IKAFRP CN(C)c1ccc([C@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028886038 563068144 /nfs/dbraw/zinc/06/81/44/563068144.db2.gz XHVBANRDQDBXCL-VSGBNLITSA-N 2 0 433.640 5.290 1 0 IKAFRP C[NH+](C)CC[C@@H](Oc1ccc(Cl)cc1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892921 563068457 /nfs/dbraw/zinc/06/84/57/563068457.db2.gz ACRVFRPOWNWNAQ-RUZDIDTESA-N 2 0 431.020 5.667 1 0 IKAFRP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1 ZINC000028893124 563068574 /nfs/dbraw/zinc/06/85/74/563068574.db2.gz ZYALYWXELCWDBL-RUZDIDTESA-N 2 0 428.617 5.189 1 0 IKAFRP Clc1ccc([C@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)N2CC[NH2+]CC2)cc1 ZINC000029135349 563076283 /nfs/dbraw/zinc/07/62/83/563076283.db2.gz YLMLFFMCJGOACB-NDEPHWFRSA-N 2 0 446.038 5.133 1 0 IKAFRP CC[NH+](CC)CCCOc1ccc2c(c1)C(=O)c1cc(OCCC[NH+](CC)CC)ccc1-2 ZINC000031847446 563083480 /nfs/dbraw/zinc/08/34/80/563083480.db2.gz MNMBIZZFMLQCNF-UHFFFAOYSA-N 2 0 438.612 5.119 1 0 IKAFRP CC(C)[C@H]1CC[NH2+][C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036464944 563095342 /nfs/dbraw/zinc/09/53/42/563095342.db2.gz DJOKKNIZCWEFCB-WWZMHTAUSA-N 2 0 426.733 6.553 1 0 IKAFRP CCn1c2ccc(OCC[NH+](CC)CC)cc2c2cc(OCC[NH+](CC)CC)ccc21 ZINC000039208125 563098800 /nfs/dbraw/zinc/09/88/00/563098800.db2.gz YRNDDQIMMQACIO-UHFFFAOYSA-N 2 0 425.617 5.256 1 0 IKAFRP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH2+]CCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040390961 563099793 /nfs/dbraw/zinc/09/97/93/563099793.db2.gz WALWTGKDFITBPI-QYHGRWQDSA-N 2 0 444.792 7.415 1 0 IKAFRP C[C@H]1CN(c2nc3ccccc3n2C2CC[NH+](C3(C)CCCCCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000040411233 563101784 /nfs/dbraw/zinc/10/17/84/563101784.db2.gz IHDRRZZOAOZYJS-VXKWHMMOSA-N 2 0 437.676 5.363 1 0 IKAFRP COc1cc2[nH+]ccc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/[C@H](C)[NH+](C)C ZINC000040913466 563111074 /nfs/dbraw/zinc/11/10/74/563111074.db2.gz VJCSJCNFHDFCJI-GPAKFWEMSA-N 2 0 442.922 5.224 1 0 IKAFRP CC[NH+](CC)CCCCC(CCCC[NH+](CC)CC)Oc1ccnc2cc(Cl)ccc21 ZINC000040943752 563113647 /nfs/dbraw/zinc/11/36/47/563113647.db2.gz PONQSXOUYWHUDO-UHFFFAOYSA-N 2 0 448.095 6.660 1 0 IKAFRP Cc1ccc(C[N@@H+]2CCc3cc(NC(=O)c4ccc5cc(C(N)=[NH2+])ccc5c4)ccc3C2)cc1 ZINC000043066037 563117807 /nfs/dbraw/zinc/11/78/07/563117807.db2.gz XSSKQWKKJUDYTG-UHFFFAOYSA-N 2 0 448.570 5.243 1 0 IKAFRP CN(CCC[NH2+]Cc1cccc2ccccc21)CCC[NH2+]Cc1cccc2ccccc21 ZINC000045188779 563123110 /nfs/dbraw/zinc/12/31/10/563123110.db2.gz ZDDWWZGJOYCTNV-UHFFFAOYSA-N 3 0 425.620 5.584 1 0 IKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]Cc5ccc(C[NH3+])cc5)cc4)cc3)nc21 ZINC000045192998 563123916 /nfs/dbraw/zinc/12/39/16/563123916.db2.gz GJHYAMXQYMZSBJ-UHFFFAOYSA-N 2 0 432.571 5.954 1 0 IKAFRP C[C@@H]1CN(c2cc[nH+]c3ccc(Sc4ccc(Oc5ccccc5)cc4)cc32)C[C@H](C)[NH2+]1 ZINC000045203041 563125204 /nfs/dbraw/zinc/12/52/04/563125204.db2.gz PWOXOZQCXYPBMY-BGYRXZFFSA-N 2 0 441.600 6.365 1 0 IKAFRP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2N(CC[NH+]2CCCC2)CC3)cc1 ZINC000045314853 563129780 /nfs/dbraw/zinc/12/97/80/563129780.db2.gz QKAHMGCMLSZVDU-HZVHRBLSSA-N 2 0 443.679 5.353 1 0 IKAFRP [NH3+]Cc1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cc1 ZINC000045322759 563130526 /nfs/dbraw/zinc/13/05/26/563130526.db2.gz IGEHWQXOUZGCOC-UHFFFAOYSA-N 2 0 436.534 5.785 1 0 IKAFRP COc1ccc(CC[NH2+]CCCCCC[NH2+]CCCc2ccc(Cl)cc2)cc1OC ZINC000045323311 563130639 /nfs/dbraw/zinc/13/06/39/563130639.db2.gz HBMQXZNEUODNID-UHFFFAOYSA-N 2 0 433.036 5.272 1 0 IKAFRP CCCC[C@@H]([NH2+]CC)c1ccc(OCCOc2ccc([C@@H](CCCC)[NH2+]CC)cc2)cc1 ZINC000045324551 563130919 /nfs/dbraw/zinc/13/09/19/563130919.db2.gz HICCCQRWIMAUGB-VSGBNLITSA-N 2 0 440.672 6.826 1 0 IKAFRP CC(C)(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H](C[NH2+]Cc3ccc(C(C)(C)C)cc3)C2)cc1 ZINC000045355081 563132534 /nfs/dbraw/zinc/13/25/34/563132534.db2.gz LKQGHSUWOGXTSB-UIOOFZCWSA-N 2 0 434.712 6.967 1 0 IKAFRP c1c2ccc(C3=[NH+]CCN3)cc2sc1-c1ccc(Oc2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000045356924 563132712 /nfs/dbraw/zinc/13/27/12/563132712.db2.gz ZERNLNLWGRIFNZ-UHFFFAOYSA-N 2 0 438.556 5.060 1 0 IKAFRP CCN1CC[NH+](CCCCCCCCCCOc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000049050149 563136875 /nfs/dbraw/zinc/13/68/75/563136875.db2.gz NYTYPVOAZPIHJY-UHFFFAOYSA-N 2 0 431.709 5.666 1 0 IKAFRP CN(C)c1ccc([C@@H]2C[N@@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058509449 563143776 /nfs/dbraw/zinc/14/37/76/563143776.db2.gz XHVBANRDQDBXCL-NSOVKSMOSA-N 2 0 433.640 5.290 1 0 IKAFRP Clc1cccc([C@H]2C[N@@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000058692621 563146067 /nfs/dbraw/zinc/14/60/67/563146067.db2.gz VXDYSIRIWFJKDT-FTJBHMTQSA-N 2 0 425.016 5.877 1 0 IKAFRP CC[NH+](CC)CCOc1cc(-c2ccc(OCC[NH+]3CCCCC3)cc2)nc2ccccc21 ZINC000066099387 563158121 /nfs/dbraw/zinc/15/81/21/563158121.db2.gz SZEAVGFUQWYCHB-UHFFFAOYSA-N 2 0 447.623 5.487 1 0 IKAFRP Fc1ccc(-c2ccc3c(NCCC[NH2+]Cc4ccc5c(c4)OCO5)cc[nH+]c3c2)cc1 ZINC000072142708 563164913 /nfs/dbraw/zinc/16/49/13/563164913.db2.gz MMLPKHPNZDKPHQ-UHFFFAOYSA-N 2 0 429.495 5.361 1 0 IKAFRP c1ccc(CC2CC[NH+](CC3CC[NH+](CCC45CC6CC(CC(C6)C4)C5)CC3)CC2)cc1 ZINC000072181044 563167044 /nfs/dbraw/zinc/16/70/44/563167044.db2.gz ZWZWYUSDYDNEQL-UHFFFAOYSA-N 2 0 434.712 6.260 1 0 IKAFRP CC(C)c1cccc2c1[C@@H](CCCCC[C@@H]1c3c(cccc3C(C)C)CC[N@H+]1C)[NH+](C)CC2 ZINC000073129903 563168634 /nfs/dbraw/zinc/16/86/34/563168634.db2.gz VZJNCIRXNGARQY-FQLXRVMXSA-N 2 0 446.723 7.642 1 0 IKAFRP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([C@@H](Cc3ccccc3)[NH+]3CCCCC3)cc2)cc1 ZINC000073224215 563170936 /nfs/dbraw/zinc/17/09/36/563170936.db2.gz YCRYTSLKCPSJNF-OOWIMERYSA-N 2 0 438.659 7.108 1 0 IKAFRP c1ccc2c(NCCCCCCCCCCNc3cc[nH+]c4ccccc34)cc[nH+]c2c1 ZINC000006117712 562946247 /nfs/dbraw/zinc/94/62/47/562946247.db2.gz LTCUGTXKTQPZNT-UHFFFAOYSA-N 2 0 426.608 7.428 1 0 IKAFRP [NH2+]=C(NC1CCC(CC2CCC(NC(=[NH2+])c3cccs3)CC2)CC1)c1cccs1 ZINC000013648232 562998827 /nfs/dbraw/zinc/99/88/27/562998827.db2.gz ZVBVXWMKRPNXMP-UHFFFAOYSA-N 2 0 428.671 5.847 1 0 IKAFRP C[n+]1c(CCCCCCCCCCc2ccc3ccccc3[n+]2C)ccc2ccccc21 ZINC000013740390 563003072 /nfs/dbraw/zinc/00/30/72/563003072.db2.gz SABAMYYSDTZBIU-UHFFFAOYSA-N 2 0 426.648 6.548 1 0 IKAFRP C[n+]1ccc(CCCCCCCCCCc2cc[n+](C)c3ccccc23)c2ccccc21 ZINC000013745698 563003917 /nfs/dbraw/zinc/00/39/17/563003917.db2.gz CLCKXRNZWOZHBG-UHFFFAOYSA-N 2 0 426.648 6.548 1 0 IKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCCCNc2cc[nH+]cc2)CCCC1 ZINC000013801258 563007904 /nfs/dbraw/zinc/00/79/04/563007904.db2.gz VJYJWGAJWFCCLU-UHFFFAOYSA-N 2 0 430.640 7.153 1 0 IKAFRP c1ccc(CCC[N@@H+]2CCC[C@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803927 563008235 /nfs/dbraw/zinc/00/82/35/563008235.db2.gz IQRFNUMAKGJEQR-HHHXNRCGSA-N 2 0 442.647 5.727 1 0 IKAFRP C[NH+](C)CCC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000014978668 563017278 /nfs/dbraw/zinc/01/72/78/563017278.db2.gz GIWCKYDKDIXYNQ-ZIADKAODSA-N 2 0 444.619 5.634 1 0 IKAFRP CC[NH2+][C@@H](CC[C@H]([NH3+])c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026177122 563029510 /nfs/dbraw/zinc/02/95/10/563029510.db2.gz SRWRCFLCLNMGOC-HOTGVXAUSA-N 2 0 438.182 5.842 1 0 IKAFRP C[NH2+][C@@H](CC[C@H]([NH2+]C)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026185647 563029763 /nfs/dbraw/zinc/02/97/63/563029763.db2.gz BEPDBBQEZYZSDU-HOTGVXAUSA-N 2 0 438.182 5.713 1 0 IKAFRP C[NH2+][C@H](CC[C@@H]([NH2+]C)c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026185643 563029767 /nfs/dbraw/zinc/02/97/67/563029767.db2.gz BEPDBBQEZYZSDU-HZPDHXFCSA-N 2 0 438.182 5.713 1 0 IKAFRP Clc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026656642 563034920 /nfs/dbraw/zinc/03/49/20/563034920.db2.gz LLRZXEPSNACQNM-LMSSTIIKSA-N 2 0 445.050 6.435 1 0 IKAFRP CCCC[N@H+](CCC)CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000028126585 563051187 /nfs/dbraw/zinc/05/11/87/563051187.db2.gz MBUGSNXOIVWTSL-UHFFFAOYSA-N 2 0 435.700 5.775 1 0 IKAFRP c1ccc(Oc2ccc(C[NH2+]CCCNC3CC[NH+](CC4CCCCC4)CC3)cc2)cc1 ZINC000028129760 563051295 /nfs/dbraw/zinc/05/12/95/563051295.db2.gz FLXRQSDEKFPPGS-UHFFFAOYSA-N 2 0 435.656 5.593 1 0 IKAFRP CC(C)NC(=[NH2+])c1ccc2cc(CCc3cc4ccc(C(=[NH2+])NC(C)C)cc4o3)oc2c1 ZINC000028870084 563067459 /nfs/dbraw/zinc/06/74/59/563067459.db2.gz ZOBCQMHUANIMPJ-UHFFFAOYSA-N 2 0 430.552 5.611 1 0 IKAFRP C[N@H+]1Cc2cc(OCCC[NH+]3CCCCC3)ncc2[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028882974 563067965 /nfs/dbraw/zinc/06/79/65/563067965.db2.gz HFOWUCXCCMJFIB-FQEVSTJZSA-N 2 0 434.411 5.221 1 0 IKAFRP CSc1ccc([C@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885917 563068068 /nfs/dbraw/zinc/06/80/68/563068068.db2.gz ZJAKASJNDYDJES-KAYWLYCHSA-N 2 0 436.665 5.946 1 0 IKAFRP C[NH+](C)C12C[C@@H](OC(=O)CC[NH+]3CCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040408929 563101497 /nfs/dbraw/zinc/10/14/97/563101497.db2.gz SDDYJBQZMVBIBY-IEVNGSTESA-N 2 0 446.635 5.066 1 0 IKAFRP C[C@@H]1CN(c2nc3ccccc3n2C2CC[NH+](C3(C)CCCCCCC3)CC2)C[C@@H](C)[NH2+]1 ZINC000040411236 563101753 /nfs/dbraw/zinc/10/17/53/563101753.db2.gz IHDRRZZOAOZYJS-FGZHOGPDSA-N 2 0 437.676 5.363 1 0 IKAFRP CC[NH+](CC)CCCSc1ccc(-c2ccc(SCCC[NH+](CC)CC)cc2)cc1 ZINC000045195090 563124281 /nfs/dbraw/zinc/12/42/81/563124281.db2.gz NXIIDHFCJNGAMC-UHFFFAOYSA-N 2 0 444.754 7.002 1 0 IKAFRP CC(C)C[NH2+]Cc1ccc(-c2ccccc2C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045195123 563124375 /nfs/dbraw/zinc/12/43/75/563124375.db2.gz WIHAWCNFTNERGZ-UHFFFAOYSA-N 2 0 441.663 5.853 1 0 IKAFRP [NH2+]=C(NCCCCC1CCCCC1)c1cccc(C(=[NH2+])NCCCCC2CCCCC2)n1 ZINC000045200992 563124585 /nfs/dbraw/zinc/12/45/85/563124585.db2.gz BGUPUNLGDVRBQN-UHFFFAOYSA-N 2 0 439.692 6.413 1 0 IKAFRP C[C@@H]1CN(c2cc[nH+]c3ccc(Sc4ccc(Oc5ccccc5)cc4)cc32)C[C@@H](C)[NH2+]1 ZINC000045203045 563125173 /nfs/dbraw/zinc/12/51/73/563125173.db2.gz PWOXOZQCXYPBMY-WOJBJXKFSA-N 2 0 441.600 6.365 1 0 IKAFRP c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)c3)nc2c1 ZINC000045227619 563125602 /nfs/dbraw/zinc/12/56/02/563125602.db2.gz KOFMEMRVNHJGTP-UHFFFAOYSA-N 2 0 445.570 5.614 1 0 IKAFRP CC(C)C[NH2+]Cc1ccc(-c2cccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)c2)cc1 ZINC000045230817 563126189 /nfs/dbraw/zinc/12/61/89/563126189.db2.gz QJWVUVFXZLMXSL-UHFFFAOYSA-N 2 0 441.663 5.853 1 0 IKAFRP C[N@@H+]1CCC2([NH+]3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000045256854 563127426 /nfs/dbraw/zinc/12/74/26/563127426.db2.gz PXIVUBCUTXAWIW-HHLXFHKQSA-N 2 0 429.435 6.193 1 0 IKAFRP C[NH+](C)CCCOc1ccc(CC[NH2+]Cc2cccc(Oc3ccc(Cl)cc3)c2)cc1 ZINC000045322016 563130319 /nfs/dbraw/zinc/13/03/19/563130319.db2.gz ZGVBFOWWJWQIHK-UHFFFAOYSA-N 2 0 438.999 5.795 1 0 IKAFRP c1c2ccc(C3=[NH+]CCCN3)cc2[nH]c1-c1ccc(Oc2ccc(C3=[NH+]CCCN3)cc2)cc1 ZINC000045366629 563133056 /nfs/dbraw/zinc/13/30/56/563133056.db2.gz PKOXESLXMLFVHE-UHFFFAOYSA-N 2 0 449.558 5.107 1 0 IKAFRP C[n+]1ccc2c3ccccc3n(CCCCCn3c4ccccc4c4cc[n+](C)cc43)c2c1 ZINC000049784866 563139711 /nfs/dbraw/zinc/13/97/11/563139711.db2.gz KHJKHJVAFURGFJ-UHFFFAOYSA-N 2 0 434.587 5.422 1 0 IKAFRP C[NH+](C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000058592028 563145629 /nfs/dbraw/zinc/14/56/29/563145629.db2.gz YQBDNYJILQTAQT-FSOBKABBSA-N 3 0 445.695 5.599 1 0 IKAFRP COc1cc(C[NH2+]CCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc1O ZINC000071295221 563161608 /nfs/dbraw/zinc/16/16/08/563161608.db2.gz OVTLONNJDJOPJH-UHFFFAOYSA-N 2 0 433.596 5.590 1 0 IKAFRP CC(C)c1cccc2cc[n+](C)c(CCCCc3c4c(cccc4C(C)C)cc[n+]3C)c21 ZINC000073129547 563168588 /nfs/dbraw/zinc/16/85/88/563168588.db2.gz WAAHQOAKMRZFTH-UHFFFAOYSA-N 2 0 426.648 6.454 1 0 IKAFRP NC(=[NH2+])Nc1ccc(Oc2ccc(NC(=O)CCCCCCCCCCC[NH3+])cc2)cc1 ZINC000095594423 563191057 /nfs/dbraw/zinc/19/10/57/563191057.db2.gz RKCHLKBXSHZVPB-UHFFFAOYSA-N 2 0 439.604 5.582 1 0 IKAFRP CCC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)CC1 ZINC000096938986 563200002 /nfs/dbraw/zinc/20/00/02/563200002.db2.gz UPEWZYBJYHDBON-UHFFFAOYSA-N 2 0 438.566 5.338 1 0 IKAFRP C(=C/c1ccc(Oc2ccc(C3=[NH+]CCN3)cc2)cc1)\c1cc2cc(C3=[NH+]CCN3)ccc2o1 ZINC000003630716 562936990 /nfs/dbraw/zinc/93/69/90/562936990.db2.gz UAGSMJSVXVQBGC-YCRREMRBSA-N 2 0 448.526 5.095 1 0 IKAFRP C[NH+](C)Cc1ccc(CSCc2ccccc2CSCc2ccc(C[NH+](C)C)o2)o1 ZINC000013452600 562987543 /nfs/dbraw/zinc/98/75/43/562987543.db2.gz NSDLLBNDBVHZTN-UHFFFAOYSA-N 2 0 444.666 5.863 1 0 IKAFRP C[NH+](C)CCSc1cccc(-c2ccnc(-c3cccc(SCC[NH+](C)C)c3)n2)c1 ZINC000013649268 562998918 /nfs/dbraw/zinc/99/89/18/562998918.db2.gz SPBXJBKYCFMHEP-UHFFFAOYSA-N 2 0 438.666 5.118 1 0 IKAFRP c1ccc2c[n+](CCCCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1 ZINC000013859960 563012460 /nfs/dbraw/zinc/01/24/60/563012460.db2.gz ZZPJJAPKSCPCSZ-UHFFFAOYSA-N 2 0 426.648 7.169 1 0 IKAFRP C[NH2+]C[C@@H](CC1CCCCC1)NC[C@H](CC(C)C)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000022938858 563026713 /nfs/dbraw/zinc/02/67/13/563026713.db2.gz AHJHRBOTDGSVSL-BJKOFHAPSA-N 2 0 441.626 5.400 3 0 IKAFRP CC[NH2+][C@H](CC[C@@H]([NH3+])c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026177118 563029519 /nfs/dbraw/zinc/02/95/19/563029519.db2.gz SRWRCFLCLNMGOC-HZPDHXFCSA-N 2 0 438.182 5.842 1 0 IKAFRP C[C@H]([NH3+])[C@H](O)CCCCCCCCCCCCCCCCCCCC[C@@H](O)[C@H](C)[NH3+] ZINC000026270226 563030427 /nfs/dbraw/zinc/03/04/27/563030427.db2.gz KYNBJECXEUJQOD-QEGGNFSNSA-N 2 0 428.746 6.205 1 0 IKAFRP [NH2+]=C(NC1CCCC1)c1ccc(-c2coc(-c3ccc(C(=[NH2+])NC4CCCC4)cc3)c2)cc1 ZINC000026379851 563031331 /nfs/dbraw/zinc/03/13/31/563031331.db2.gz AUCGYWPCVKUFLI-UHFFFAOYSA-N 2 0 440.591 6.329 1 0 IKAFRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026386394 563031519 /nfs/dbraw/zinc/03/15/19/563031519.db2.gz UJAGIZSRTHIUAK-JOCHJYFZSA-N 2 0 430.596 5.051 1 0 IKAFRP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026386390 563031544 /nfs/dbraw/zinc/03/15/44/563031544.db2.gz UJAGIZSRTHIUAK-QFIPXVFZSA-N 2 0 430.596 5.051 1 0 IKAFRP COc1ccc(C[NH2+]CCCC[NH2+]Cc2ccc(OC)c3ccccc23)c2ccccc12 ZINC000028261151 563052475 /nfs/dbraw/zinc/05/24/75/563052475.db2.gz NSFFYYXFWSQEIM-UHFFFAOYSA-N 2 0 428.576 5.670 1 0 IKAFRP CC(C)NC(=[NH2+])c1ccc2cc(CCCc3cc4ccc(C(=[NH2+])NC(C)C)cc4o3)oc2c1 ZINC000028870113 563067463 /nfs/dbraw/zinc/06/74/63/563067463.db2.gz LUXJNQPORIIJGT-UHFFFAOYSA-N 2 0 444.579 6.001 1 0 IKAFRP NC(=[NH2+])c1ccc2oc(CCCCCCCCc3cc4cc(C(N)=[NH2+])ccc4o3)cc2c1 ZINC000028870174 563067495 /nfs/dbraw/zinc/06/74/95/563067495.db2.gz XKBYRHPVPPFSJH-UHFFFAOYSA-N 2 0 430.552 5.873 1 0 IKAFRP C[NH+](C)CC[C@H](Oc1cccc(Cl)c1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892937 563068572 /nfs/dbraw/zinc/06/85/72/563068572.db2.gz NZCBCRNLDOCTQR-VWLOTQADSA-N 2 0 431.020 5.667 1 0 IKAFRP c1cn(CCCCCCCn2ccc(=[NH+]C3CCCCC3)cc2)ccc1=[NH+]C1CCCCC1 ZINC000029229023 563076911 /nfs/dbraw/zinc/07/69/11/563076911.db2.gz YXNPJLSLKGKBHK-UHFFFAOYSA-N 2 0 448.699 6.407 1 0 IKAFRP C[NH+](C)C[C@@H](O)Cn1cc(C2CC[NH+](CC3CCCCCCC3)CC2)c2cc(F)ccc21 ZINC000036221534 563092144 /nfs/dbraw/zinc/09/21/44/563092144.db2.gz YEOANUDQDGQSQW-XMMPIXPASA-N 2 0 443.651 5.243 1 0 IKAFRP C[NH+](C)CCSc1ccc(-c2cc(-c3cccs3)nc(SCC[NH+](C)C)n2)cc1 ZINC000040394575 563100432 /nfs/dbraw/zinc/10/04/32/563100432.db2.gz UWYGAQUGMWCDGU-UHFFFAOYSA-N 2 0 444.695 5.180 1 0 IKAFRP C[C@@H]1CN(c2nc3ccccc3n2C2CC[NH+](C3(C)CCCCCCC3)CC2)C[C@H](C)[NH2+]1 ZINC000040411230 563101770 /nfs/dbraw/zinc/10/17/70/563101770.db2.gz IHDRRZZOAOZYJS-SZPZYZBQSA-N 2 0 437.676 5.363 1 0 IKAFRP CC1([NH+]2CCC(n3c4ccccc4nc3-c3cccc(C[NH3+])c3)CC2)CCCCCCC1 ZINC000040934276 563112363 /nfs/dbraw/zinc/11/23/63/563112363.db2.gz VUWAQJRSLBBCLH-UHFFFAOYSA-N 2 0 430.640 6.302 1 0 IKAFRP CC(C)[C@H]1CC[N@H+](C)[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H]([NH3+])C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387904 563122071 /nfs/dbraw/zinc/12/20/71/563122071.db2.gz OWWFXCRBYSQOCJ-KESCKXBLSA-N 2 0 438.744 6.671 1 0 IKAFRP CC(C)[C@@H]1CC[N@H+](C)[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H]([NH3+])C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387899 563122073 /nfs/dbraw/zinc/12/20/73/563122073.db2.gz OWWFXCRBYSQOCJ-YFDCAPTISA-N 2 0 438.744 6.671 1 0 IKAFRP Cc1cc(N(CCC[NH+](C)C)Cc2cc(F)cc(F)c2)nc(Nc2ccc(Cl)cc2)n1 ZINC000045193720 563124087 /nfs/dbraw/zinc/12/40/87/563124087.db2.gz KVJKCPOERVTCFC-UHFFFAOYSA-N 2 0 445.945 5.419 1 0 IKAFRP c1cc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](Cc4c[nH]c5cnccc45)CC3)C2)cs1 ZINC000045193606 563124102 /nfs/dbraw/zinc/12/41/02/563124102.db2.gz IKANJHQCKISFPB-UHFFFAOYSA-N 2 0 444.604 5.054 1 0 IKAFRP C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4ccc(-c5ccccc5)cc4)cc32)CC1 ZINC000045227977 563125650 /nfs/dbraw/zinc/12/56/50/563125650.db2.gz VEDXEPWYLNIAJY-UHFFFAOYSA-N 2 0 437.547 5.298 1 0 IKAFRP Cc1c(C)c(-c2cccc(C(C)(C)[NH2+]C3CCN(Cc4ccccc4)CC3)c2)c[nH+]c1N ZINC000045301330 563129203 /nfs/dbraw/zinc/12/92/03/563129203.db2.gz XKIBCHKQIAJDBE-UHFFFAOYSA-N 2 0 428.624 5.437 1 0 IKAFRP C[NH+](C)CCCOc1cccc(CC[NH2+]Cc2cccc(Oc3ccc(Cl)cc3)c2)c1 ZINC000045322679 563130565 /nfs/dbraw/zinc/13/05/65/563130565.db2.gz CZUOKOUETRZOKO-UHFFFAOYSA-N 2 0 438.999 5.795 1 0 IKAFRP c1sc(Nc2cc[nH+]cc2)nc1-c1ccc(-c2csc(Nc3cc[nH+]cc3)n2)cc1 ZINC000045338107 563131696 /nfs/dbraw/zinc/13/16/96/563131696.db2.gz UWWNKZKBNGREQM-UHFFFAOYSA-N 2 0 428.546 6.211 1 0 IKAFRP CCCCc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C[NH2+]Cc3ccc(CCCC)cc3)C2)cc1 ZINC000045366967 563133155 /nfs/dbraw/zinc/13/31/55/563133155.db2.gz HUJQOWNAHABIMR-LOYHVIPDSA-N 2 0 434.712 7.058 1 0 IKAFRP CC1(C)CCCC(C)(C)[NH+]1CCCCCCCCCCC[NH+]1C(C)(C)CCCC1(C)C ZINC000045370756 563133330 /nfs/dbraw/zinc/13/33/30/563133330.db2.gz DNGGFEDTBKBJOV-UHFFFAOYSA-N 2 0 434.797 8.584 1 0 IKAFRP CC[C@H]1C[N@@H+]2CC[C@H]3c4ccccc4N[C@@H]3[C@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000045483952 563134250 /nfs/dbraw/zinc/13/42/50/563134250.db2.gz WPRCHZNIQPXBQO-KVZZGNBVSA-N 2 0 440.635 5.443 1 0 IKAFRP CC[C@@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000058494563 563143589 /nfs/dbraw/zinc/14/35/89/563143589.db2.gz DDSRFAMOWJZKMB-VXLXPWSCSA-N 2 0 436.603 6.030 1 0 IKAFRP Clc1ccccc1[C@H]1C[N@@H+]2CCC[C@H]2c2cc(OCCC[NH+]3CCCCC3)ccc21 ZINC000058509561 563143762 /nfs/dbraw/zinc/14/37/62/563143762.db2.gz RUXYPQKVSNTODL-AHWVRZQESA-N 2 0 425.016 5.877 1 0 IKAFRP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](NCC[NH+]4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064373151 563152783 /nfs/dbraw/zinc/15/27/83/563152783.db2.gz ZHZNBSBRTKPMGE-DXRBEWIESA-N 2 0 443.679 5.256 1 0 IKAFRP CC[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000064512166 563154061 /nfs/dbraw/zinc/15/40/61/563154061.db2.gz BYHWAEAVIGYEBJ-OVWYZSLCSA-N 2 0 438.619 5.872 1 0 IKAFRP c1ccc2c(c1)CC[NH+](CCCCCCCCCCCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000066111546 563158844 /nfs/dbraw/zinc/15/88/44/563158844.db2.gz NUISVTXFABNDON-UHFFFAOYSA-N 2 0 432.696 7.004 1 0 IKAFRP c1cc(NCCC[NH2+]Cc2ccc3c(c2)OCO3)c2ccc(CC3CCCCC3)cc2[nH+]1 ZINC000072122702 563163874 /nfs/dbraw/zinc/16/38/74/563163874.db2.gz FPTXOUVLHZGWNR-UHFFFAOYSA-N 2 0 431.580 5.678 1 0 IKAFRP COc1ccc(C[NH2+]CCCCCCCCCC[NH2+]Cc2ccc(OC)c(O)c2)cc1O ZINC000073198371 563170019 /nfs/dbraw/zinc/17/00/19/563170019.db2.gz DDVYRHSVUAVLEO-UHFFFAOYSA-N 2 0 444.616 5.115 1 0 IKAFRP NC(=[NH2+])Nc1ccc(Nc2ccc(NC(=O)CCCCCCCCCCC[NH3+])cc2)cc1 ZINC000095593072 563190650 /nfs/dbraw/zinc/19/06/50/563190650.db2.gz AGUNIIWCTMFDTN-UHFFFAOYSA-N 2 0 438.620 5.534 1 0 IKAFRP C[N@@H+]1CCc2ccc([C@@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc2[C@@H]1C1CCCCC1 ZINC000136012796 581095568 /nfs/dbraw/zinc/09/55/68/581095568.db2.gz XVWWDCXPGPSOQP-YCVJPRETSA-N 2 0 437.631 6.504 1 0 IKAFRP C[NH+](C)Cc1ccc(CSCc2ccc(CSCc3ccc(C[NH+](C)C)o3)cc2)o1 ZINC000013452614 562987551 /nfs/dbraw/zinc/98/75/51/562987551.db2.gz BKKRKDDJCRFGHJ-UHFFFAOYSA-N 2 0 444.666 5.863 1 0 IKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000013472674 562988007 /nfs/dbraw/zinc/98/80/07/562988007.db2.gz IBPWGZKZWJYGLA-UHFFFAOYSA-N 2 0 443.635 6.023 1 0 IKAFRP C[NH+](C)CCSc1ccc(-c2cc(-c3ccc(SCC[NH+](C)C)cc3)ncn2)cc1 ZINC000013649262 562998930 /nfs/dbraw/zinc/99/89/30/562998930.db2.gz ZZPCIWYXMUGILU-UHFFFAOYSA-N 2 0 438.666 5.118 1 0 IKAFRP C[N@H+](CCOC(c1ccccc1)c1ccccc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000013803936 563008181 /nfs/dbraw/zinc/00/81/81/563008181.db2.gz SUFVPROIOBRYEK-UHFFFAOYSA-N 2 0 442.647 5.822 1 0 IKAFRP Fc1ccc(CC[N@@H+]2CCC[C@@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803920 563008192 /nfs/dbraw/zinc/00/81/92/563008192.db2.gz WPCCYICQOQQNOQ-VWLOTQADSA-N 2 0 446.610 5.476 1 0 IKAFRP c1ccc2c(c1)ccc[n+]2CCCCCCCCCCCC[n+]1cccc2ccccc21 ZINC000013859956 563012510 /nfs/dbraw/zinc/01/25/10/563012510.db2.gz KQWKYDIWXCLYSS-UHFFFAOYSA-N 2 0 426.648 7.169 1 0 IKAFRP c1c(CCCC[NH+]2CCC3(CC2)OCc2ccccc23)c2ccccc2n1-c1cc[nH+]cc1 ZINC000026166562 563029388 /nfs/dbraw/zinc/02/93/88/563029388.db2.gz AOSYOSSHEBHMOA-UHFFFAOYSA-N 2 0 437.587 5.870 1 0 IKAFRP CC[NH2+][C@H](CC[C@H]([NH3+])c1c(Cl)cc(O)cc1Cl)c1c(Cl)cc(O)cc1Cl ZINC000026177130 563029572 /nfs/dbraw/zinc/02/95/72/563029572.db2.gz SRWRCFLCLNMGOC-JKSUJKDBSA-N 2 0 438.182 5.842 1 0 IKAFRP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2-c2ccc(Cl)cc2Cl)CC1 ZINC000027524611 563043103 /nfs/dbraw/zinc/04/31/03/563043103.db2.gz VSOXBFLRBLXMFH-UHFFFAOYSA-N 2 0 433.448 6.444 1 0 IKAFRP C[NH+](C)CCCCCCNc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)[nH+]c2ccccc12 ZINC000028642021 563060402 /nfs/dbraw/zinc/06/04/02/563060402.db2.gz JIRSRWVZLJZXGS-UHFFFAOYSA-N 3 0 445.655 5.188 1 0 IKAFRP CSc1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028827059 563066592 /nfs/dbraw/zinc/06/65/92/563066592.db2.gz ZJAKASJNDYDJES-RRPNLBNLSA-N 2 0 436.665 5.946 1 0 IKAFRP CC(C)NC(=[NH2+])c1ccc2oc(CCCc3cc4cc(C(=[NH2+])NC(C)C)ccc4o3)cc2c1 ZINC000028870097 563067476 /nfs/dbraw/zinc/06/74/76/563067476.db2.gz JQILCCOMGYMIQT-UHFFFAOYSA-N 2 0 444.579 6.001 1 0 IKAFRP Clc1cccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000028885645 563068070 /nfs/dbraw/zinc/06/80/70/563068070.db2.gz VXDYSIRIWFJKDT-IZZNHLLZSA-N 2 0 425.016 5.877 1 0 IKAFRP COc1cccc(O[C@H](CC[NH+](C)C)c2ccc(OCCC[NH+]3CCCCC3)cc2)c1 ZINC000028892905 563068495 /nfs/dbraw/zinc/06/84/95/563068495.db2.gz VUURKLOSWJVNJP-AREMUKBSSA-N 2 0 426.601 5.022 1 0 IKAFRP C[NH+](C)CC[C@@H](Oc1cccc(Cl)c1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892931 563068603 /nfs/dbraw/zinc/06/86/03/563068603.db2.gz NZCBCRNLDOCTQR-RUZDIDTESA-N 2 0 431.020 5.667 1 0 IKAFRP C[NH+](C)CC[C@H](Oc1ccc(Cl)cc1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000028892927 563068619 /nfs/dbraw/zinc/06/86/19/563068619.db2.gz ACRVFRPOWNWNAQ-VWLOTQADSA-N 2 0 431.020 5.667 1 0 IKAFRP CC(C)[C@@H]1CC[NH2+][C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000036464945 563095349 /nfs/dbraw/zinc/09/53/49/563095349.db2.gz DJOKKNIZCWEFCB-COMNBZLASA-N 2 0 426.733 6.553 1 0 IKAFRP c1cc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)ccc1OCCC[NH+]1CCCCC1 ZINC000036520268 563095792 /nfs/dbraw/zinc/09/57/92/563095792.db2.gz BJFLXZBZOOYWHR-UHFFFAOYSA-N 2 0 436.640 5.863 1 0 IKAFRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1c2ccccc2N[C@H](C)[C@@H]1OC(=O)c1ccc(C)cc1 ZINC000038656361 563098180 /nfs/dbraw/zinc/09/81/80/563098180.db2.gz QOPNIRIEEPCFMN-MZFMZNHHSA-N 2 0 437.628 5.176 1 0 IKAFRP CCn1c2ccc(CCCC[NH+](CC)CC)cc2c2cc(CCCC[NH+](CC)CC)ccc21 ZINC000039208128 563098810 /nfs/dbraw/zinc/09/88/10/563098810.db2.gz DWEGPEDDRPXJRE-UHFFFAOYSA-N 2 0 449.727 7.143 1 0 IKAFRP CC(C)[NH+](CCC(CC[NH+](C(C)C)C(C)C)(C(N)=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000040465298 563103835 /nfs/dbraw/zinc/10/38/35/563103835.db2.gz APSUVNSDPWXUKC-UHFFFAOYSA-N 2 0 445.736 5.725 1 0 IKAFRP Clc1ccc([C@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccc(Cl)cc4)C2[NH2+]CC3)cc1 ZINC000040575498 563105207 /nfs/dbraw/zinc/10/52/07/563105207.db2.gz PZCDMBQLEQDGIC-ARIYZQMHSA-N 2 0 429.435 6.241 1 0 IKAFRP C[NH+](C)CCCOc1ccc(-c2cncc(-c3cc4ccccc4n3CC[NH+](C)C)c2)cc1 ZINC000040917077 563111537 /nfs/dbraw/zinc/11/15/37/563111537.db2.gz PDSAXPZYQIRLDK-UHFFFAOYSA-N 2 0 442.607 5.262 1 0 IKAFRP C/C=C1\C[N@@H+]2CC[C@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000042877935 563115831 /nfs/dbraw/zinc/11/58/31/563115831.db2.gz JBQRORTXNDQJOM-UFTXSBRCSA-N 2 0 436.603 5.522 1 0 IKAFRP c1ccc2ncc(C[NH2+]CCCCCCCC[NH2+]Cc3cnc4ccccc4c3)cc2c1 ZINC000045189043 563123227 /nfs/dbraw/zinc/12/32/27/563123227.db2.gz GDMRSYJLJGDFPE-UHFFFAOYSA-N 2 0 426.608 6.003 1 0 IKAFRP CC[C@@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000045228294 563125592 /nfs/dbraw/zinc/12/55/92/563125592.db2.gz DDSRFAMOWJZKMB-RYTUXRKISA-N 2 0 436.603 6.030 1 0 IKAFRP Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]Cc5ccc(C[NH3+])cc5)cc4)s3)nc21 ZINC000045315912 563129885 /nfs/dbraw/zinc/12/98/85/563129885.db2.gz GZZKOLZLNMZCCL-UHFFFAOYSA-N 2 0 438.600 6.015 1 0 IKAFRP CCCC[C@@H]([NH2+]CC)c1ccc(OCCOc2ccc([C@H](CCCC)[NH2+]CC)cc2)cc1 ZINC000045324548 563130934 /nfs/dbraw/zinc/13/09/34/563130934.db2.gz HICCCQRWIMAUGB-HNRBIFIRSA-N 2 0 440.672 6.826 1 0 IKAFRP O=C1Nc2cccc3c2[C@]1(CCCCC[NH+]1CCC(c2c[nH]c4cc[nH+]cc42)CC1)CCC3 ZINC000045336805 563131527 /nfs/dbraw/zinc/13/15/27/563131527.db2.gz NGDMPGBEYGPASA-NDEPHWFRSA-N 2 0 442.607 5.529 1 0 IKAFRP CC(C)(C)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1 ZINC000045350968 563132239 /nfs/dbraw/zinc/13/22/39/563132239.db2.gz YOMWUZRONLGHHJ-UHFFFAOYSA-N 2 0 438.744 7.458 1 0 IKAFRP CCCCc1ccc(C[NH2+]C[C@H]2CCC[C@H](C[NH2+]Cc3ccc(CCCC)cc3)C2)cc1 ZINC000045366964 563133061 /nfs/dbraw/zinc/13/30/61/563133061.db2.gz HUJQOWNAHABIMR-KYJUHHDHSA-N 2 0 434.712 7.058 1 0 IKAFRP CCCC[NH+](CCCC)CCCCCCCCCCOc1ccc(C[NH+](CC)CC)cc1 ZINC000049035619 563136304 /nfs/dbraw/zinc/13/63/04/563136304.db2.gz QYZYQXKFXIZEMC-UHFFFAOYSA-N 2 0 446.764 7.930 1 0 IKAFRP C[NH+](C)C12C[C@@H](c3ccccc3)C([C@H](c3ccccc3)C1)[C@@H](OC(=O)CC[NH+]1CCCC1)C2 ZINC000059275283 563146434 /nfs/dbraw/zinc/14/64/34/563146434.db2.gz SDDYJBQZMVBIBY-CCPQUMGHSA-N 2 0 446.635 5.066 1 0 IKAFRP C1=C\CCCC[N@@H+]2CC[C@H]3[C@H]4C[C@@H](CCCC/1)C[NH+](C4)CCCC/C=C\CCCC[C@H]3C2 ZINC000064539600 563155057 /nfs/dbraw/zinc/15/50/57/563155057.db2.gz VDKGIMKVQUXITF-MYWASIGGSA-N 2 0 440.760 7.464 1 0 IKAFRP CCC(=O)N(CCCCCCCCCCCC[NH3+])C1CC[NH+](CCc2ccccc2)CC1 ZINC000066113900 563159189 /nfs/dbraw/zinc/15/91/89/563159189.db2.gz VOJNAEYWKJZEBC-UHFFFAOYSA-N 2 0 443.720 5.792 1 0 IKAFRP Cc1cc[n+](CCCCCc2ccccc2CCCCC[n+]2ccc(C)c(C)c2)cc1C ZINC000071294220 563161513 /nfs/dbraw/zinc/16/15/13/563161513.db2.gz PNIFGRMVRMYYCH-UHFFFAOYSA-N 2 0 430.680 6.321 1 0 IKAFRP FC(F)(F)c1ccc(-c2ccc3c(NCCC[NH2+]Cc4ccco4)cc[nH+]c3c2)cc1 ZINC000072122971 563163996 /nfs/dbraw/zinc/16/39/96/563163996.db2.gz QFDJUTNPVXUTOP-UHFFFAOYSA-N 2 0 425.454 6.105 1 0 IKAFRP CC(C)c1cccc2c1[C@@H](CCCCC[C@H]1c3c(cccc3C(C)C)CC[N@H+]1C)[NH+](C)CC2 ZINC000073129899 563168606 /nfs/dbraw/zinc/16/86/06/563168606.db2.gz VZJNCIRXNGARQY-ISILISOKSA-N 2 0 446.723 7.642 1 0 IKAFRP CC(C)c1cccc2c1[C@@H](CCCC[C@H]1c3c(cccc3C(C)C)CC[N@H+]1C)[NH+](C)CC2 ZINC000073129723 563168615 /nfs/dbraw/zinc/16/86/15/563168615.db2.gz GWNFJINTBFKROJ-HNRBIFIRSA-N 2 0 432.696 7.252 1 0 IKAFRP CN(C)c1ccccc1C[NH2+]CCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000095558310 563181837 /nfs/dbraw/zinc/18/18/37/563181837.db2.gz FJPIMKXINVWPJB-UHFFFAOYSA-N 2 0 444.667 6.332 1 0 IKAFRP