smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCC[C@@]1(O)c2ccsc2SCc2ccccc21 ZINC000000347400 180763531 /nfs/dbraw/zinc/76/35/31/180763531.db2.gz STRQWELVFODQOU-KRWDZBQOSA-N 1 0 319.495 3.932 1 0 DHAFRO CCN(CC[NH+](C)C)c1cc(-c2ccccn2)nc2ccccc21 ZINC000005840838 181288159 /nfs/dbraw/zinc/28/81/59/181288159.db2.gz MOQINZPSCFDGAK-UHFFFAOYSA-N 1 0 320.440 3.685 1 0 DHAFRO CC[C@@H](C)C[N@@H+]1CCc2c3c(c(OC)c(OC)c2C1)CCC3 ZINC000006411715 181338766 /nfs/dbraw/zinc/33/87/66/181338766.db2.gz DRBYCRJHXINHED-CYBMUJFWSA-N 1 0 303.446 3.597 1 0 DHAFRO C[NH+](C)CC[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3N2O1 ZINC000013436823 181850148 /nfs/dbraw/zinc/85/01/48/181850148.db2.gz SWGWJQBPCJEQJC-XLIONFOSSA-N 1 0 308.425 3.794 1 0 DHAFRO Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000013524581 181858284 /nfs/dbraw/zinc/85/82/84/181858284.db2.gz NRKMMFZDIURZCA-QKLQHJQFSA-N 1 0 317.473 3.635 1 0 DHAFRO CC[C@@]12CC[N@H+](CC3CCCC3)C[C@@H]1Oc1ccc(O)cc12 ZINC000026292053 182436821 /nfs/dbraw/zinc/43/68/21/182436821.db2.gz QJYGDLAENIWKNF-OALUTQOASA-N 1 0 301.430 3.697 1 0 DHAFRO COc1ccc([C@@H](C[NH+]2CCCC2)C2(O)CCCCC2)cc1 ZINC000026732845 182451747 /nfs/dbraw/zinc/45/17/47/182451747.db2.gz NDYRKGXPDKOCHA-GOSISDBHSA-N 1 0 303.446 3.570 1 0 DHAFRO Cc1cnsc1[C@@H](c1ccc(C(C)C)cc1)N1CC[NH2+]CC1 ZINC000028256192 182517819 /nfs/dbraw/zinc/51/78/19/182517819.db2.gz LGIMBOCIXRWFFC-QGZVFWFLSA-N 1 0 315.486 3.570 1 0 DHAFRO COc1cccc2c1OCC[C@H]2C[NH2+]CCCc1ccccc1 ZINC000036248128 182810834 /nfs/dbraw/zinc/81/08/34/182810834.db2.gz BMTDXVFJZOZCGC-KRWDZBQOSA-N 1 0 311.425 3.784 1 0 DHAFRO O[C@H](C[NH2+]Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000039245463 183015787 /nfs/dbraw/zinc/01/57/87/183015787.db2.gz BGRFPUKDKSYNFO-OAQYLSRUSA-N 1 0 317.432 3.969 1 0 DHAFRO Clc1ccccc1O[C@H](c1cccnc1)C1CC[NH2+]CC1 ZINC000043060202 183332543 /nfs/dbraw/zinc/33/25/43/183332543.db2.gz RFKSUPOWTRFCKG-KRWDZBQOSA-N 1 0 302.805 3.855 1 0 DHAFRO O=C(c1ccc2[nH]ccc2c1)C1(Cc2ccccc2)CC[NH2+]CC1 ZINC000058582301 184123419 /nfs/dbraw/zinc/12/34/19/184123419.db2.gz LGCPITGZBZPIIE-UHFFFAOYSA-N 1 0 318.420 3.963 1 0 DHAFRO CSc1ccc(CNC(=O)[C@]2(C)CCC[N@@H+]2CC(C)C)cc1 ZINC000061906911 184194496 /nfs/dbraw/zinc/19/44/96/184194496.db2.gz WVSLIJKWOOJOSZ-SFHVURJKSA-N 1 0 320.502 3.535 3 0 DHAFRO Cc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)C[NH2+]2)c1 ZINC000061942322 184197272 /nfs/dbraw/zinc/19/72/72/184197272.db2.gz YLQLKDDNLGKDNY-IHPCNDPISA-N 1 0 308.425 3.558 3 0 DHAFRO CCOC(=O)C1(c2ccc(-c3ccccc3)cc2)CC[NH2+]CC1 ZINC000064560235 184299500 /nfs/dbraw/zinc/29/95/00/184299500.db2.gz SMTOUNAUSYRLQD-UHFFFAOYSA-N 1 0 309.409 3.538 1 0 DHAFRO CC[C@H](Nc1nc(CC[NH3+])nc2ccccc21)c1cccs1 ZINC000065382183 184332721 /nfs/dbraw/zinc/33/27/21/184332721.db2.gz VRCHWCBACZEGQD-ZDUSSCGKSA-N 1 0 312.442 3.756 1 0 DHAFRO C[NH2+]CCCN1c2ccc(O)cc2CCc2ccc(Cl)cc21 ZINC000034092806 257132082 /nfs/dbraw/zinc/13/20/82/257132082.db2.gz MRLCQGACIDFFSH-UHFFFAOYSA-N 1 0 316.832 3.892 1 0 world DHAFRO COc1ccc2cc[n+](CCc3ccccc3C)cc2c1OC ZINC000071318615 190957460 /nfs/dbraw/zinc/95/74/60/190957460.db2.gz APTBCUAVRRKNQU-UHFFFAOYSA-N 1 0 308.401 3.696 1 0 DHAFRO CCCCc1ccc(-c2nc(CNCC(C)(C)C[NH3+])co2)cc1 ZINC000072180696 191071985 /nfs/dbraw/zinc/07/19/85/191071985.db2.gz JPDRYAFZDHWTQI-UHFFFAOYSA-N 1 0 315.461 3.759 1 0 DHAFRO CCCCCC(=O)N[C@@H]1CCCc2[nH+]c3ccccc3c(N)c21 ZINC000003802304 181046137 /nfs/dbraw/zinc/04/61/37/181046137.db2.gz JUTRHMRTBXPPIH-MRXNPFEDSA-N 1 0 311.429 3.891 1 0 DHAFRO CC1=CC2=[NH+]C[C@@H](C(=O)c3ccc4ccccc4c3)CN2C=C1 ZINC000003987283 181060689 /nfs/dbraw/zinc/06/06/89/181060689.db2.gz DECUZQFYFBDKQD-GOSISDBHSA-N 1 0 302.377 3.826 1 0 DHAFRO Cc1cccc(CC[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000004160536 181079835 /nfs/dbraw/zinc/07/98/35/181079835.db2.gz VHNIDWJMVLSOSW-UHFFFAOYSA-N 1 0 320.436 3.786 3 0 DHAFRO C[NH+](C)Cc1ccccc1-c1cncnc1Nc1ccccc1 ZINC000004258367 181088279 /nfs/dbraw/zinc/08/82/79/181088279.db2.gz UGSWKZBROWPQHB-UHFFFAOYSA-N 1 0 304.397 3.949 1 0 DHAFRO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)CN1C/C=C/c1ccccc1 ZINC000006488705 181344845 /nfs/dbraw/zinc/34/48/45/181344845.db2.gz WRLCBOFBNURUFU-RZIFZGNASA-N 1 0 319.408 3.659 1 0 DHAFRO CC(C)=CCN1CCn2c(=O)[nH]c3ccc(Cl)c(c32)[C@H]1C ZINC000006490966 181345195 /nfs/dbraw/zinc/34/51/95/181345195.db2.gz ZFXNHNQNBOUIHU-LLVKDONJSA-N 1 0 305.809 3.738 1 0 DHAFRO C[C@H](C[NH+]1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1 ZINC000022924844 182341154 /nfs/dbraw/zinc/34/11/54/182341154.db2.gz DBYCCKZCPWSDEM-CYBMUJFWSA-N 1 0 315.288 3.952 1 0 DHAFRO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1[C@@H]1CCCCC[C@H]21 ZINC000027888126 182495679 /nfs/dbraw/zinc/49/56/79/182495679.db2.gz AASURSKOEDBGHE-HRCADAONSA-N 1 0 317.473 3.959 1 0 DHAFRO CC(C)(C)[NH2+]C[C@H](O)COc1ccc2c(c1)[C@@H]1CCCCC[C@H]21 ZINC000027878417 182495132 /nfs/dbraw/zinc/49/51/32/182495132.db2.gz UZASONPNPYATSY-BHYGNILZSA-N 1 0 317.473 3.959 1 0 DHAFRO Clc1ccccc1C[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000036093213 182798529 /nfs/dbraw/zinc/79/85/29/182798529.db2.gz SDLVJPBOBLQFEW-GOSISDBHSA-N 1 0 300.833 3.529 1 0 in-vivo DHAFRO COc1cccc(OCCCOCCC[NH+]2CCCCCC2)c1 ZINC000040402328 183061629 /nfs/dbraw/zinc/06/16/29/183061629.db2.gz GRDMORASLGGLFR-UHFFFAOYSA-N 1 0 321.461 3.747 1 0 DHAFRO CCCCC[NH+]1CCC2(CC1)O[C@H](OC)Cc1sccc12 ZINC000040954634 183151460 /nfs/dbraw/zinc/15/14/60/183151460.db2.gz JVKKJHIXRIZNIE-INIZCTEOSA-N 1 0 309.475 3.775 1 0 DHAFRO C[NH2+]C[C@@H](CSc1ccc(C(C)(C)C)cc1)c1c[nH]cn1 ZINC000064475056 184297918 /nfs/dbraw/zinc/29/79/18/184297918.db2.gz CIHOROYSJCZFIG-ZDUSSCGKSA-N 1 0 303.475 3.803 1 0 DHAFRO Cc1ccc2c(C[C@H]3[NH2+]CCc4ccccc43)cc(=O)oc2c1 ZINC000064553411 184299461 /nfs/dbraw/zinc/29/94/61/184299461.db2.gz VVESWEPHTFQMRS-GOSISDBHSA-N 1 0 305.377 3.531 1 0 DHAFRO C[NH2+]C[C@H]1CN1C[C@@]12CC3=C(C)CC[C@]3([C@H](C)CC1)C2(C)C ZINC000085548300 560072095 /nfs/dbraw/zinc/07/20/95/560072095.db2.gz OWBPVFTZOYUPQG-XUELKNAASA-N 1 0 302.506 3.833 1 0 biogenic,in-vitro DHAFRO c1ccc(COc2cncc(C3=C[C@H]4C[NH2+]C[C@@H](C3)C4)c2)cc1 ZINC000095577080 185380749 /nfs/dbraw/zinc/38/07/49/185380749.db2.gz YCKUJRLTYLJWTR-DLBZAZTESA-N 1 0 306.409 3.673 1 0 DHAFRO c1ccc(OCCn2c3ccccc3nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000082157615 185174211 /nfs/dbraw/zinc/17/42/11/185174211.db2.gz YKMYFJKVCCQVAY-MRXNPFEDSA-N 1 0 321.424 3.582 1 0 DHAFRO CCc1cccc(COc2c(F)cc(F)cc2[C@H]2C[C@H]2[NH3+])c1 ZINC000072171818 191069195 /nfs/dbraw/zinc/06/91/95/191069195.db2.gz VJXODNPSRINKCE-RHSMWYFYSA-N 1 0 303.352 3.921 1 0 DHAFRO CCc1cccc(COc2c(F)cc(F)cc2[C@H]2C[C@@H]2[NH3+])c1 ZINC000072171816 191069836 /nfs/dbraw/zinc/06/98/36/191069836.db2.gz VJXODNPSRINKCE-PBHICJAKSA-N 1 0 303.352 3.921 1 0 DHAFRO c1ccc([C@H]2CC[C@@]3(OCCN[C@@H]3c3ccccc3)OC2)cc1 ZINC000004634612 181130502 /nfs/dbraw/zinc/13/05/02/181130502.db2.gz HHBYAZNEZQQRNN-XUVXKRRUSA-N 1 0 309.409 3.638 1 0 DHAFRO CC(C)CC[NH2+]CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000004894368 181169454 /nfs/dbraw/zinc/16/94/54/181169454.db2.gz OYIJAAHWFPOJPJ-UHFFFAOYSA-N 1 0 310.441 3.528 3 0 DHAFRO CCN(CC[NH+](C)C)c1cc(-c2cccnc2)nc2ccccc21 ZINC000005840851 181288115 /nfs/dbraw/zinc/28/81/15/181288115.db2.gz MLHSFWKDWVSUMO-UHFFFAOYSA-N 1 0 320.440 3.685 1 0 DHAFRO CC[NH+](CC)CCCOc1c2occc2cc2ccc(=O)oc21 ZINC000005846889 181289305 /nfs/dbraw/zinc/28/93/05/181289305.db2.gz DCSPVYIRRHOYEH-UHFFFAOYSA-N 1 0 315.369 3.650 1 0 DHAFRO CC1(C)C=C(C[NH2+]C23CC4CC(CC(C4)C2)C3)C(C)(C)N1O ZINC000027102832 182462153 /nfs/dbraw/zinc/46/21/53/182462153.db2.gz WDBZNFAHTJOAAP-UHFFFAOYSA-N 1 0 304.478 3.733 1 0 DHAFRO COc1cccc(/C=C/c2ccc3ccccc3[n+]2C)c1OC ZINC000036382839 182821691 /nfs/dbraw/zinc/82/16/91/182821691.db2.gz GOOKEQDDCQRUNX-WYMLVPIESA-N 1 0 306.385 3.852 1 0 DHAFRO CC(C)OCC[C@]1(c2ccc(Cl)c(Cl)c2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000101944094 193849526 /nfs/dbraw/zinc/84/95/26/193849526.db2.gz KXLJVOFBGQNGTJ-VIKVFOODSA-N 1 0 314.256 3.896 1 0 DHAFRO Cc1c(C[NH2+][C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(F)c1 ZINC000043063381 183333376 /nfs/dbraw/zinc/33/33/76/183333376.db2.gz YOLACCQKPJWLBG-DOMZBBRYSA-N 1 0 323.362 3.654 1 0 DHAFRO O=C(Oc1cccc(-c2ccccc2)c1)N1CC[NH+]2CCC1CC2 ZINC000043059329 183332514 /nfs/dbraw/zinc/33/25/14/183332514.db2.gz AVUBBCJSYRFMJV-UHFFFAOYSA-N 1 0 322.408 3.632 1 0 DHAFRO CC(C)(C)CC[C@]1(C(=O)c2ccc(N)c(Cl)c2)CC[NH2+]C1 ZINC000058591790 184123958 /nfs/dbraw/zinc/12/39/58/184123958.db2.gz APFRQKRCPYHTLD-KRWDZBQOSA-N 1 0 308.853 3.911 1 0 DHAFRO CC(C)NC(=O)[C@@]1(C)CCC[N@@H+]1Cc1csc2ccccc12 ZINC000061908983 184194531 /nfs/dbraw/zinc/19/45/31/184194531.db2.gz WXLJBQVCCUSCLT-GOSISDBHSA-N 1 0 316.470 3.780 3 0 DHAFRO C[NH2+]C[C@H](CSc1ccc(C(F)(F)F)cc1)c1c[nH]cn1 ZINC000064564983 184300214 /nfs/dbraw/zinc/30/02/14/184300214.db2.gz MJFULYPEKJAFJK-SNVBAGLBSA-N 1 0 315.364 3.524 1 0 DHAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCN(Cc3ccccc3)CC1)=CC2 ZINC000019633310 563416012 /nfs/dbraw/zinc/41/60/12/563416012.db2.gz VYDSERDQKGBGPN-PMACEKPBSA-N 1 0 310.485 3.797 1 0 DHAFRO Clc1ccc(Sc2ccc(CNC3=[NH+]CCN3)cc2)cc1 ZINC000026003319 182427737 /nfs/dbraw/zinc/42/77/37/182427737.db2.gz GGANPOIMMZVOPC-UHFFFAOYSA-N 1 0 317.845 3.540 1 0 DHAFRO COc1cccc2c1C1(CC[NH+](C)CC1)c1cccc(O)c1O2 ZINC000026472943 182442211 /nfs/dbraw/zinc/44/22/11/182442211.db2.gz BKPZISTXJKBOBE-UHFFFAOYSA-N 1 0 311.381 3.518 1 0 DHAFRO CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1[NH3+] ZINC000028243010 182515693 /nfs/dbraw/zinc/51/56/93/182515693.db2.gz QEASCXZVUQIDDJ-STQMWFEESA-N 1 0 301.217 3.616 1 0 DHAFRO CCCCc1noc(-c2cc3c(cccc3CC[NH+](C)C)[nH]2)n1 ZINC000040566817 183103497 /nfs/dbraw/zinc/10/34/97/183103497.db2.gz ZMJVKJPOQYGTDW-UHFFFAOYSA-N 1 0 312.417 3.665 1 0 DHAFRO Cc1nc2c(ccc3c2[C@@]2(C)CC[N@H+](CC4CC4)[C@@H](C3)[C@@H]2C)[nH]1 ZINC000040829067 183138074 /nfs/dbraw/zinc/13/80/74/183138074.db2.gz WNNMSXHAHUUIPN-JTBRQZTESA-N 1 0 309.457 3.806 1 0 DHAFRO C[NH2+]C[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1Cl ZINC000040975701 183153778 /nfs/dbraw/zinc/15/37/78/183153778.db2.gz WINONEAFBRSOAL-IAGOWNOFSA-N 1 0 303.789 3.578 1 0 DHAFRO NC(=[NH2+])c1ccc2cc(/C=C/c3cccc(CCO)c3)ccc2c1 ZINC000043059280 183333182 /nfs/dbraw/zinc/33/31/82/183333182.db2.gz RRGBOWXXLBROIW-SNAWJCMRSA-N 1 0 316.404 3.829 1 0 in-vitro DHAFRO O=C(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CC[NH2+]CC1 ZINC000043019656 183328659 /nfs/dbraw/zinc/32/86/59/183328659.db2.gz YKTFTKYTVUHUCP-UHFFFAOYSA-N 1 0 319.408 3.567 1 0 DHAFRO CC(C)CC[C@@]1(C(=O)c2cc3cc[nH]c3c(F)c2)CC[NH2+]C1 ZINC000062225287 184224102 /nfs/dbraw/zinc/22/41/02/184224102.db2.gz KIMRUTAJTDBFHO-GOSISDBHSA-N 1 0 302.393 3.906 1 0 DHAFRO O=C(c1ccc2[nH]ccc2c1)[C@]1(Cc2ccccc2)CC[NH2+]C1 ZINC000064380886 184296087 /nfs/dbraw/zinc/29/60/87/184296087.db2.gz LWIZTBGDAFNFMW-FQEVSTJZSA-N 1 0 304.393 3.573 1 0 DHAFRO Cc1ccc2c(C[C@@H]3[NH2+]CCc4ccccc43)cc(=O)oc2c1 ZINC000064553414 184299619 /nfs/dbraw/zinc/29/96/19/184299619.db2.gz VVESWEPHTFQMRS-SFHVURJKSA-N 1 0 305.377 3.531 1 0 DHAFRO Oc1ccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCC[NH2+]2)cc1 ZINC000065410204 184340316 /nfs/dbraw/zinc/34/03/16/184340316.db2.gz OCWXFWIBQVDXKM-QGZVFWFLSA-N 1 0 319.408 3.675 1 0 DHAFRO CCCCN1C(n2ccnc2)=[NH+]c2ccccc2[C@@H]1CC(C)=O ZINC000103176581 185436796 /nfs/dbraw/zinc/43/67/96/185436796.db2.gz SHVJANVXBAGPIZ-KRWDZBQOSA-N 1 0 310.401 3.555 1 0 DHAFRO CC(=O)O[C@H]1CCCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000103277147 185443349 /nfs/dbraw/zinc/44/33/49/185443349.db2.gz FWDJBQGSJBAJPZ-PMACEKPBSA-N 1 0 315.457 3.815 1 0 DHAFRO c1ccc(C[N@@H+]2CCc3c(ccnc3Nc3cccnc3)C2)cc1 ZINC000139955948 186024441 /nfs/dbraw/zinc/02/44/41/186024441.db2.gz GWNZQLUGXZVPTG-UHFFFAOYSA-N 1 0 316.408 3.779 1 0 DHAFRO CCc1cccc(COc2c(F)cc(F)cc2[C@@H]2C[C@@H]2[NH3+])c1 ZINC000072171815 191069493 /nfs/dbraw/zinc/06/94/93/191069493.db2.gz VJXODNPSRINKCE-YOEHRIQHSA-N 1 0 303.352 3.921 1 0 DHAFRO CC(C)(C)c1cccc(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1O ZINC000000007706 180669300 /nfs/dbraw/zinc/66/93/00/180669300.db2.gz DICPPDRBLOSCQJ-UHFFFAOYSA-N 1 0 308.385 3.517 1 0 DHAFRO C[C@@H]1c2cnccc2C=C2c3c(c4ccccc4n31)CCN2C ZINC000004215521 181085635 /nfs/dbraw/zinc/08/56/35/181085635.db2.gz CSRPMFCRBOSISJ-CYBMUJFWSA-N 1 0 301.393 3.945 1 0 DHAFRO Cc1ccc(Cn2c3ccccc3nc2[C@H]2C[NH2+]CCS2)cc1 ZINC000073225038 191295510 /nfs/dbraw/zinc/29/55/10/191295510.db2.gz MCVGJQYUOLRXOM-GOSISDBHSA-N 1 0 323.465 3.771 1 0 DHAFRO C[NH+](C)CCCN1C(=O)Nc2ccccc2[C@H]1Cc1ccccc1 ZINC000013553552 181861060 /nfs/dbraw/zinc/86/10/60/181861060.db2.gz OREBTIOCSLNDSM-LJQANCHMSA-N 1 0 323.440 3.770 1 0 DHAFRO CCCN(CCC)C(=O)/C(=C\[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000013530020 181858034 /nfs/dbraw/zinc/85/80/34/181858034.db2.gz NFQPVUUBOMRYBL-ARSNJYAISA-N 1 0 318.436 3.610 1 0 DHAFRO C[NH+](C)CCCn1ccc(-c2cccc(-c3ccccn3)c2)n1 ZINC000023398169 182360276 /nfs/dbraw/zinc/36/02/76/182360276.db2.gz CKUNLDGLXJCVNH-UHFFFAOYSA-N 1 0 306.413 3.564 1 0 DHAFRO COc1ccc(C2=CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000040429354 183066306 /nfs/dbraw/zinc/06/63/06/183066306.db2.gz LJIDXOGVDUDHSV-UHFFFAOYSA-N 1 0 307.393 3.642 1 0 DHAFRO C[NH2+]C[C@H]1COc2ccccc2[C@H]1Oc1ccccc1Cl ZINC000040835599 183139934 /nfs/dbraw/zinc/13/99/34/183139934.db2.gz DZEOBMAMUUMJNJ-SJCJKPOMSA-N 1 0 303.789 3.688 1 0 DHAFRO Cc1c2cc(O)ccc2n(CCCC[NH3+])c1-c1ccc(O)cc1 ZINC000040847063 183140737 /nfs/dbraw/zinc/14/07/37/183140737.db2.gz ZWYGQIBNUBUSHB-UHFFFAOYSA-N 1 0 310.397 3.767 1 0 DHAFRO Cc1ccc(C[N@H+](C)CCCn2c3ccccc3oc2=O)c(C)c1 ZINC000043059918 183332812 /nfs/dbraw/zinc/33/28/12/183332812.db2.gz OZGFIYXCQMJEGG-UHFFFAOYSA-N 1 0 324.424 3.733 1 0 DHAFRO Clc1ccc([C@]23C[NH2+]C[C@H]2[C@H]3COCC2CC2)cc1Cl ZINC000045389037 183502862 /nfs/dbraw/zinc/50/28/62/183502862.db2.gz ORUPHFRKUPILCN-WOSRLPQWSA-N 1 0 312.240 3.507 1 0 DHAFRO O=C1c2cc(Cl)ccc2Oc2ccccc2C12CC[NH2+]CC2 ZINC000060051787 184143933 /nfs/dbraw/zinc/14/39/33/184143933.db2.gz MVHCUYKLLWKEOZ-UHFFFAOYSA-N 1 0 313.784 3.950 1 0 DHAFRO CCNC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000061897498 184193570 /nfs/dbraw/zinc/19/35/70/184193570.db2.gz PMZSDVJZFRJZFI-FQEVSTJZSA-N 1 0 310.441 3.578 3 0 DHAFRO [NH3+][C@@H](Cc1ccc(F)cc1)c1csc(Nc2ccccn2)n1 ZINC000061897643 184193709 /nfs/dbraw/zinc/19/37/09/184193709.db2.gz ZOERAANOXICVOO-ZDUSSCGKSA-N 1 0 314.389 3.663 3 0 DHAFRO C[N@@H+]1CC[C@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000061925580 184195831 /nfs/dbraw/zinc/19/58/31/184195831.db2.gz MGGZZSBYQAKGNA-IBGZPJMESA-N 1 0 310.397 3.759 3 0 DHAFRO Cc1cn2c(cn1)nc(-c1ccccc1)c2C[NH+]1CCCCC1 ZINC000064447744 184297611 /nfs/dbraw/zinc/29/76/11/184297611.db2.gz OPAHUGQNUZLLLW-UHFFFAOYSA-N 1 0 306.413 3.691 1 0 DHAFRO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000003619633 181042089 /nfs/dbraw/zinc/04/20/89/181042089.db2.gz HTOGMSKHUWQFKF-HXUWFJFHSA-N 1 0 322.452 3.747 1 0 DHAFRO COc1c2occc2c(C[NH+]2CCCCC2)c2ccc(=O)oc21 ZINC000005998700 181304055 /nfs/dbraw/zinc/30/40/55/181304055.db2.gz NWJNQBNBSFUILJ-UHFFFAOYSA-N 1 0 313.353 3.534 1 0 DHAFRO CCOC(=O)c1oc2cccc(OCCC[NH2+]C(C)C)c2c1C ZINC000006403602 181338399 /nfs/dbraw/zinc/33/83/99/181338399.db2.gz AOKNIRNUINXDSR-UHFFFAOYSA-N 1 0 319.401 3.685 1 0 DHAFRO CCC(=O)N(c1ccc(F)c(Cl)c1)[C@@H]1CCC[C@@H]1[NH+](C)C ZINC000028235088 182515229 /nfs/dbraw/zinc/51/52/29/182515229.db2.gz YHLQCBXKRNEPGX-LSDHHAIUSA-N 1 0 312.816 3.705 1 0 DHAFRO COc1ccc2c(c1)OCC[C@H]2C[NH2+]CCCc1ccccc1 ZINC000036248145 182810713 /nfs/dbraw/zinc/81/07/13/182810713.db2.gz ATXGQTCCNBGDHP-KRWDZBQOSA-N 1 0 311.425 3.784 1 0 DHAFRO CC[NH+]1CCN(C2=Nc3ccccc3Nc3cscc32)CC1 ZINC000039241376 183015574 /nfs/dbraw/zinc/01/55/74/183015574.db2.gz FMJGUTVIAIMZCZ-UHFFFAOYSA-N 1 0 312.442 3.521 1 0 DHAFRO C[C@H]([NH2+]C1CCCCC1)C(=O)Nc1nsc2ccccc21 ZINC000040405071 183062170 /nfs/dbraw/zinc/06/21/70/183062170.db2.gz UKEINSQNPPOCRC-NSHDSACASA-N 1 0 303.431 3.546 1 0 DHAFRO CC[NH+]1CCC(COc2nc3sccc3n3cccc23)CC1 ZINC000040891976 183146407 /nfs/dbraw/zinc/14/64/07/183146407.db2.gz JZNPJHIRXSYHEX-UHFFFAOYSA-N 1 0 315.442 3.660 1 0 DHAFRO CO[C@@H]1Cc2sccc2C2(CC[NH+](CC=C(C)C)CC2)O1 ZINC000040956141 183151541 /nfs/dbraw/zinc/15/15/41/183151541.db2.gz AOCHGAMNUIJVHV-INIZCTEOSA-N 1 0 307.459 3.551 1 0 DHAFRO Cc1oc2ccc3c(C)cc(=O)n(CCC[NH+](C)C)c3c2c1C ZINC000042887768 183317007 /nfs/dbraw/zinc/31/70/07/183317007.db2.gz FGROEXCFGGLMIJ-UHFFFAOYSA-N 1 0 312.413 3.625 1 0 DHAFRO CCCNC(=O)[C@]1(C)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000061905647 184193994 /nfs/dbraw/zinc/19/39/94/184193994.db2.gz PMHJPBSCZYIOFR-OAQYLSRUSA-N 1 0 324.468 3.968 3 0 DHAFRO CCNC(=O)[C@]1(C)CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000061928619 184196317 /nfs/dbraw/zinc/19/63/17/184196317.db2.gz WSFXBYHVQIHXEG-GOSISDBHSA-N 1 0 316.470 3.640 3 0 DHAFRO COc1ccc(-c2ccc(N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2)cc1 ZINC000062178524 184212366 /nfs/dbraw/zinc/21/23/66/184212366.db2.gz HCKNLNORNOIIQO-XLIONFOSSA-N 1 0 308.425 3.503 1 0 DHAFRO Cc1ccc2oc(=O)cc(C[C@@H]3[NH2+]CCc4ccccc43)c2c1 ZINC000064474969 184298020 /nfs/dbraw/zinc/29/80/20/184298020.db2.gz RCKBYQSSPZOLPB-SFHVURJKSA-N 1 0 305.377 3.531 1 0 DHAFRO Cc1ccccc1[C@]1([C@H](O)[C@H]2C[NH+]3CCC2CC3)C=CC=C[C@H]1C ZINC000306121535 231081508 /nfs/dbraw/zinc/08/15/08/231081508.db2.gz HTPJXSWMZMSOOU-YKWDRNOUSA-N 1 0 323.480 3.698 2 0 DHAFRO O=c1sc2ccccc2n1CCCC[NH+]1CCCCCC1 ZINC000096916102 185391481 /nfs/dbraw/zinc/39/14/81/185391481.db2.gz COWJQEUWDLBTLW-UHFFFAOYSA-N 1 0 304.459 3.719 1 0 DHAFRO C[N@@H+]1CCC[C@@H](COC(=O)c2ccccc2-c2ccccc2)C1 ZINC000082150290 192362619 /nfs/dbraw/zinc/36/26/19/192362619.db2.gz STHCUWXBGLTFDI-MRXNPFEDSA-N 1 0 309.409 3.852 1 0 DHAFRO COc1cc(F)ccc1-c1cncc(C[NH2+]C2CCCC2)c1 ZINC000071341601 190960453 /nfs/dbraw/zinc/96/04/53/190960453.db2.gz CKMRXGUDSNAKMN-UHFFFAOYSA-N 1 0 300.377 3.929 1 0 in-vivo DHAFRO COc1cc2c(cc1OC)[C@H]1[C@H]3CCCC[C@@H]3CC[N@@H+]1CC2 ZINC000005955846 181300812 /nfs/dbraw/zinc/30/08/12/181300812.db2.gz JOBJVIZEZUJEBB-FRIZHTMISA-N 1 0 301.430 3.813 1 0 DHAFRO O=C(c1ccc(Cl)c(Cl)c1)[C@H]1C[NH+]=C2C=CC=CN2C1 ZINC000043023296 183330355 /nfs/dbraw/zinc/33/03/55/183330355.db2.gz ULPDWJOXHYHSMU-NSHDSACASA-N 1 0 307.180 3.590 1 0 DHAFRO c1cc2cc(N(Cc3ccccc3)[C@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000043068826 183333799 /nfs/dbraw/zinc/33/37/99/183333799.db2.gz ISYQRUPHFNFRMZ-IBGZPJMESA-N 1 0 305.425 3.927 1 0 DHAFRO CC[C@H](C)/C=C/c1cc(C(=O)OC)cc2ccc(C(N)=[NH2+])cc12 ZINC000043060708 183333952 /nfs/dbraw/zinc/33/39/52/183333952.db2.gz COELTHYIHVTKES-FYJFLYSWSA-N 1 0 310.397 3.970 1 0 DHAFRO CCNC(=O)[C@]1(C)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000061897497 184193747 /nfs/dbraw/zinc/19/37/47/184193747.db2.gz PMZSDVJZFRJZFI-HXUWFJFHSA-N 1 0 310.441 3.578 3 0 DHAFRO Cc1ccc2cc(NC(=O)[C@]3(C)CC[N@H+]3CC(C)C)ccc2n1 ZINC000061907090 184194652 /nfs/dbraw/zinc/19/46/52/184194652.db2.gz QMJATAHUAZLLIN-IBGZPJMESA-N 1 0 311.429 3.602 3 0 DHAFRO CC(C)[C@@H]([NH3+])c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061929120 184196191 /nfs/dbraw/zinc/19/61/91/184196191.db2.gz ITRXDIKPGHWWJZ-LLVKDONJSA-N 1 0 316.352 3.956 3 0 DHAFRO c1ccc(C2(CN3CC[NH2+]C[C@@H]3CC3CCCCC3)CC2)cc1 ZINC000061948896 184198516 /nfs/dbraw/zinc/19/85/16/184198516.db2.gz OZSMWMMJDUQZMA-FQEVSTJZSA-N 1 0 312.501 3.962 3 0 DHAFRO O=[N+]1C(c2ccc(-c3ccccc3)cc2)=CN(O)[C@H]2CCCC[C@H]21 ZINC000101182000 563556707 /nfs/dbraw/zinc/55/67/07/563556707.db2.gz DXCXLALNKIKFIS-RBUKOAKNSA-N 1 0 320.392 3.559 1 0 DHAFRO Fc1ccccc1O[C@@H](c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000095556939 185379616 /nfs/dbraw/zinc/37/96/16/185379616.db2.gz YFHOQWOKLIAKSM-INIZCTEOSA-N 1 0 309.743 3.958 1 0 DHAFRO Cc1ccc(C[NH2+]C[C@@H]2C[C@@]3(c4ccccc4)CCN2C3)cc1 ZINC000095591738 185382094 /nfs/dbraw/zinc/38/20/94/185382094.db2.gz IRNIWEWRLAHBGO-SFTDATJTSA-N 1 0 306.453 3.501 1 0 DHAFRO COc1cc2c(cc1OC)[C@H](CC1=CCC=C(OC)C1)[NH2+]CC2 ZINC000005848732 181289173 /nfs/dbraw/zinc/28/91/73/181289173.db2.gz HULDQPCWZJKPAY-KRWDZBQOSA-N 1 0 315.413 3.531 1 0 DHAFRO Fc1ccc(-c2nc([C@H]3CCC[NH2+]C3)[nH]c2-c2ccncc2)cc1 ZINC000008536524 181562350 /nfs/dbraw/zinc/56/23/50/181562350.db2.gz KLRATASOGXHMKV-HNNXBMFYSA-N 1 0 322.387 3.745 1 0 DHAFRO CN(CCc1ccc(Cl)c(Cl)c1)CC[NH+]1CCCCC1 ZINC000022924867 182340946 /nfs/dbraw/zinc/34/09/46/182340946.db2.gz DIQGETYKBHZBFV-UHFFFAOYSA-N 1 0 315.288 3.954 1 0 DHAFRO COc1ccc2c(c1)c(CC[NH+](C)C)cn2Cc1ccccc1 ZINC000026719060 182450342 /nfs/dbraw/zinc/45/03/42/182450342.db2.gz LTGLAVOFBOVUDU-UHFFFAOYSA-N 1 0 308.425 3.802 1 0 DHAFRO C[NH+](C)CCC(=O)c1cc2c(c(C(C)(C)C)c1)OCC2(C)C ZINC000040465755 183072393 /nfs/dbraw/zinc/07/23/93/183072393.db2.gz DFFUXVKQCYVCGB-UHFFFAOYSA-N 1 0 303.446 3.789 1 0 DHAFRO NC(=[NH2+])c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1 ZINC000043023346 183330605 /nfs/dbraw/zinc/33/06/05/183330605.db2.gz JSKAQIFORULOPI-UHFFFAOYSA-N 1 0 304.353 3.768 1 0 in-vitro DHAFRO CCCNC(=O)[C@]1(C)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000061904275 184193940 /nfs/dbraw/zinc/19/39/40/184193940.db2.gz DCKBALBZWBKFRH-LJQANCHMSA-N 1 0 314.429 3.561 3 0 DHAFRO Cc1ccc(NC(=O)[C@@]2(C)CC[N@@H+]2C2Cc3ccccc3C2)cc1 ZINC000061906346 184194202 /nfs/dbraw/zinc/19/42/02/184194202.db2.gz RINDRUVVDTYUSK-OAQYLSRUSA-N 1 0 320.436 3.565 3 0 DHAFRO COc1cccc(Oc2cncc(C3=C[C@H]4C[NH2+]C[C@@H](C3)C4)c2)c1 ZINC000095577108 185380692 /nfs/dbraw/zinc/38/06/92/185380692.db2.gz GIUMMCXYLUQIND-LSDHHAIUSA-N 1 0 322.408 3.895 1 0 DHAFRO C[n+]1c(COc2ccccc2)cccc1COc1ccccc1 ZINC000095584391 185381435 /nfs/dbraw/zinc/38/14/35/185381435.db2.gz WRUVHZFRRXADMC-UHFFFAOYSA-N 1 0 306.385 3.669 1 0 DHAFRO C[NH+]1CCN(c2ccc(Oc3ccc(Cl)cc3O)cc2)CC1 ZINC000095603569 185382460 /nfs/dbraw/zinc/38/24/60/185382460.db2.gz MZHIMYOTMBAACU-UHFFFAOYSA-N 1 0 318.804 3.590 1 0 DHAFRO COc1ccc2c(c1)[C@@]1(C)Cc3ccccc3CC[C@@H](C2)[C@@H]1[NH3+] ZINC000169330132 197742206 /nfs/dbraw/zinc/74/22/06/197742206.db2.gz GUPXQBKLNOLBQN-ORYQWCPZSA-N 1 0 307.437 3.641 1 0 DHAFRO C[NH2+]C[C@@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC000169331432 197742467 /nfs/dbraw/zinc/74/24/67/197742467.db2.gz VEZYAPGQZVMMRU-HXUWFJFHSA-N 1 0 304.393 3.668 1 0 DHAFRO CCCC1=[NH+]CCN1Cc1coc(-c2cccc(OCC)c2)n1 ZINC000072183286 191071778 /nfs/dbraw/zinc/07/17/78/191071778.db2.gz LDCJVINTSDGHMN-UHFFFAOYSA-N 1 0 313.401 3.755 1 0 DHAFRO Cc1nnc(C)n1-c1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1 ZINC000148890462 186046198 /nfs/dbraw/zinc/04/61/98/186046198.db2.gz HXJJTFUVZQIEFZ-QGZVFWFLSA-N 1 0 312.804 3.586 1 0 DHAFRO Cc1ccccc1-c1nc2ccccc2c(NC2CC[NH2+]CC2)n1 ZINC000004267829 181090112 /nfs/dbraw/zinc/09/01/12/181090112.db2.gz LLPLSZUIFZPNRT-UHFFFAOYSA-N 1 0 318.424 3.769 1 0 DHAFRO COc1ccc(O[C@H](c2ccc(F)cc2)[C@H]2CCC[NH2+]C2)cc1 ZINC000013530746 181858574 /nfs/dbraw/zinc/85/85/74/181858574.db2.gz GHRXOERWFGLWFW-HNAYVOBHSA-N 1 0 315.388 3.954 1 0 DHAFRO O=[N+]1C(c2ccc(-c3ccccc3)cc2)=CN(O)[C@@H]2CCCC[C@H]21 ZINC000101182011 193809099 /nfs/dbraw/zinc/80/90/99/193809099.db2.gz DXCXLALNKIKFIS-RTBURBONSA-N 1 0 320.392 3.559 1 0 DHAFRO C[C@@H]1CN(Cc2ccc(-c3ccc(C[NH+](C)C)cc3)cc2)C(=O)O1 ZINC000040938493 183149706 /nfs/dbraw/zinc/14/97/06/183149706.db2.gz RJMDBPXEXJQOLC-OAHLLOKOSA-N 1 0 324.424 3.756 1 0 DHAFRO Cn1ccc2cc(N(Cc3ccccc3)C3CC[NH2+]CC3)ccc21 ZINC000042963455 183324288 /nfs/dbraw/zinc/32/42/88/183324288.db2.gz MZIGEEZFAITPCB-UHFFFAOYSA-N 1 0 319.452 3.937 1 0 DHAFRO Cc1c(C[NH2+][C@H]2CC[C@@H](F)C2)nn(C)c1-c1ccc(F)c(F)c1 ZINC000043025366 183331231 /nfs/dbraw/zinc/33/12/31/183331231.db2.gz WNFYOZDXOXMVKJ-OLZOCXBDSA-N 1 0 323.362 3.654 1 0 DHAFRO COC[C@]12C[C@@]1(c1ccc(Cl)c(Cl)c1)C[C@H](C)[NH2+]C2 ZINC000053298667 183897792 /nfs/dbraw/zinc/89/77/92/183897792.db2.gz UVVKDTGZBLYAEF-COLVAYQJSA-N 1 0 300.229 3.650 1 0 DHAFRO CCCNC(=O)[C@@]1(C)CC[N@H+](Cc2csc3ccccc23)C1 ZINC000061906941 184194833 /nfs/dbraw/zinc/19/48/33/184194833.db2.gz OYAAOSYOCWCKLF-SFHVURJKSA-N 1 0 316.470 3.640 3 0 DHAFRO Oc1cccc(CC[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000085486972 560076073 /nfs/dbraw/zinc/07/60/73/560076073.db2.gz WXMGWGKVMAALPB-VQTJNVASSA-N 1 0 311.425 3.523 1 0 biogenic,in-vitro DHAFRO COc1cccc(Oc2cncc(C3=C[C@@H]4C[NH2+]C[C@H](C3)C4)c2)c1 ZINC000095577107 185380685 /nfs/dbraw/zinc/38/06/85/185380685.db2.gz GIUMMCXYLUQIND-CABCVRRESA-N 1 0 322.408 3.895 1 0 DHAFRO Fc1ccc(F)c(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c1F ZINC000095588390 185382130 /nfs/dbraw/zinc/38/21/30/185382130.db2.gz DHKBDZKBBAEQNU-LRDDRELGSA-N 1 0 307.315 3.834 1 0 DHAFRO CC(C)C[C@@H]1CN2C(=[NH+]C[C@@H]2C)N1CC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000027207036 190654459 /nfs/dbraw/zinc/65/44/59/190654459.db2.gz WJBJHKCUJQTUNX-QXDIGNSFSA-N 1 0 303.494 3.603 1 0 DHAFRO FC1=C(Cc2cc(Br)ccc2Cl)C[NH2+]CC1 ZINC000084588927 192443807 /nfs/dbraw/zinc/44/38/07/192443807.db2.gz QACZEJCBASRNTH-UHFFFAOYSA-N 1 0 304.590 3.862 1 0 DHAFRO CC1=[NH+]c2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCO ZINC000072126083 191042122 /nfs/dbraw/zinc/04/21/22/191042122.db2.gz NCESCCJUVDLGLG-QGZVFWFLSA-N 1 0 300.789 3.787 1 0 DHAFRO C[C@@H]1CCC[C@H]([NH2+]Cc2coc(-c3ccc(O)cc3)n2)[C@@H]1C ZINC000072183258 191071815 /nfs/dbraw/zinc/07/18/15/191071815.db2.gz GSXNBIHHVGTEKJ-XNJGSVPQSA-N 1 0 300.402 3.962 1 0 DHAFRO C[NH+](C)CCCOc1nn(CCc2ccccc2)c2ccccc21 ZINC000003640425 181043486 /nfs/dbraw/zinc/04/34/86/181043486.db2.gz QCEFLKRXVICRKW-UHFFFAOYSA-N 1 0 323.440 3.610 1 0 DHAFRO C[NH+](C)CCCCOc1ccc2c(c1)ncn2-c1ccccc1 ZINC000003815791 181047386 /nfs/dbraw/zinc/04/73/86/181047386.db2.gz RGNZNEYNFBAXTE-UHFFFAOYSA-N 1 0 309.413 3.746 1 0 DHAFRO COc1cc(OC)c(-c2ccc(O)cc2)c2c1C[NH2+]C(C)(C)C2 ZINC000003962822 181059765 /nfs/dbraw/zinc/05/97/65/181059765.db2.gz RJXFBXNLLZLXGV-UHFFFAOYSA-N 1 0 313.397 3.501 1 0 DHAFRO CCN(CC[NH+](C)C)c1cc(-c2ccncc2)nc2ccccc21 ZINC000005840857 181288175 /nfs/dbraw/zinc/28/81/75/181288175.db2.gz OOOFPXGKMQROHI-UHFFFAOYSA-N 1 0 320.440 3.685 1 0 DHAFRO Cc1cc(NCC[N@@H+]2[C@H]3CC[C@@H]2CCC3)nnc1-c1ccccc1 ZINC000013904683 181909249 /nfs/dbraw/zinc/90/92/49/181909249.db2.gz NBEPNANMOZKJJA-HDICACEKSA-N 1 0 322.456 3.881 1 0 DHAFRO CCOCC1(CC[NH2+]C)c2ccccc2CCc2ccccc21 ZINC000026661965 182449201 /nfs/dbraw/zinc/44/92/01/182449201.db2.gz QDYDQDWGCBCJCR-UHFFFAOYSA-N 1 0 309.453 3.717 1 0 DHAFRO C=C1[NH2+]C(=CCCC)C(C(=O)OCC)[C@@H](C)C1C(=O)OCC ZINC000026815979 182453973 /nfs/dbraw/zinc/45/39/73/182453973.db2.gz QIYOHPACDHFMOR-QPQCVSCISA-N 1 0 309.406 3.911 1 0 DHAFRO C[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)NCC1CCCCC1 ZINC000027561770 182479059 /nfs/dbraw/zinc/47/90/59/182479059.db2.gz PRJJTKSOBSDZRY-QGZVFWFLSA-N 1 0 302.462 3.670 1 0 DHAFRO [NH3+][C@@H]1CN(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000028899509 182545117 /nfs/dbraw/zinc/54/51/17/182545117.db2.gz KQIXDQQTPCBRIX-GDBMZVCRSA-N 1 0 307.224 3.925 1 0 in-vivo DHAFRO Cc1ccc(-c2cn(CC[NH3+])c(-c3ccc(Cl)nc3)n2)cc1 ZINC000036387384 182821723 /nfs/dbraw/zinc/82/17/23/182821723.db2.gz OAFIOVHHPFHKMO-UHFFFAOYSA-N 1 0 312.804 3.533 3 0 DHAFRO Clc1ccc2c(c1)nccc2NCC12CCC[NH+]1CCC2 ZINC000040835659 183140252 /nfs/dbraw/zinc/14/02/52/183140252.db2.gz GXQUGZKOKBJQQC-UHFFFAOYSA-N 1 0 301.821 3.929 1 0 DHAFRO C[NH2+]C[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Cl ZINC000040957784 183151360 /nfs/dbraw/zinc/15/13/60/183151360.db2.gz WINONEAFBRSOAL-SJORKVTESA-N 1 0 303.789 3.578 1 0 DHAFRO CC1=CC=CC2=[NH+]C[C@H](C(=O)c3ccc4ccccc4c3)CN12 ZINC000042988708 183326406 /nfs/dbraw/zinc/32/64/06/183326406.db2.gz WCLWJQHUNGPTKT-SFHVURJKSA-N 1 0 302.377 3.826 1 0 DHAFRO CC[C@@H](C)/C=C/c1cc(C(=O)OC)cc2ccc(C(N)=[NH2+])cc12 ZINC000043060704 183332779 /nfs/dbraw/zinc/33/27/79/183332779.db2.gz COELTHYIHVTKES-BTDICHCPSA-N 1 0 310.397 3.970 1 0 DHAFRO c1cc2cc(N(Cc3ccccc3)[C@@H]3CCC[NH2+]C3)ccc2[nH]1 ZINC000043068822 183333630 /nfs/dbraw/zinc/33/36/30/183333630.db2.gz ISYQRUPHFNFRMZ-LJQANCHMSA-N 1 0 305.425 3.927 1 0 DHAFRO CC(C)OC[C@@H]1[C@H]2C[NH2+]C[C@@]12c1ccc(Cl)c(Cl)c1 ZINC000045391106 183502892 /nfs/dbraw/zinc/50/28/92/183502892.db2.gz JNLXUEPMJIMNHM-JMSVASOKSA-N 1 0 300.229 3.505 1 0 DHAFRO CCNC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000061903875 184194311 /nfs/dbraw/zinc/19/43/11/184194311.db2.gz HKXJTGYWDGSIIN-OAQYLSRUSA-N 1 0 322.452 3.702 3 0 DHAFRO CCCNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C)c3ccccc23)C1 ZINC000061896299 184193003 /nfs/dbraw/zinc/19/30/03/184193003.db2.gz DOMMYSLFBVFSRU-NRFANRHFSA-N 1 0 324.468 3.886 3 0 DHAFRO Nc1nccc(-n2cc(-c3ccccc3Cl)c3c[nH+]ccc32)n1 ZINC000095601118 185382438 /nfs/dbraw/zinc/38/24/38/185382438.db2.gz DGPFURGWWCIZHR-UHFFFAOYSA-N 1 0 321.771 3.718 1 0 DHAFRO O[C@@H](C[C@H]1CCCC[NH2+]1)c1cc(C(F)(F)F)nc2ccccc21 ZINC000169338219 197743491 /nfs/dbraw/zinc/74/34/91/197743491.db2.gz ZGLYBQNILLLZJJ-ABAIWWIYSA-N 1 0 324.346 3.819 1 0 DHAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(SC)c2c1 ZINC000169343139 197744453 /nfs/dbraw/zinc/74/44/53/197744453.db2.gz UZXIOTBIYNSDME-LLVKDONJSA-N 1 0 305.447 3.505 1 0 DHAFRO CC[NH+](CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1 ZINC000000015414 180669971 /nfs/dbraw/zinc/66/99/71/180669971.db2.gz QFHRLPCDKGUGAD-UHFFFAOYSA-N 1 0 312.461 3.984 1 0 DHAFRO Cc1cccc(OC[C@@H](O)C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1 ZINC000003381029 181013358 /nfs/dbraw/zinc/01/33/58/181013358.db2.gz ANHCGXPONAGNRS-ZWOKBUDYSA-N 1 0 317.473 3.635 1 0 DHAFRO CCOC(=O)c1oc2cccc(OCC[NH2+]C(C)(C)C)c2c1C ZINC000006403606 181338566 /nfs/dbraw/zinc/33/85/66/181338566.db2.gz DLNSNOYTEZNQIQ-UHFFFAOYSA-N 1 0 319.401 3.685 1 0 DHAFRO CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@@H]2[NH2+]C1CCOCC1 ZINC000014974205 181979440 /nfs/dbraw/zinc/97/94/40/181979440.db2.gz HKSIBOTYROJKKS-HNNXBMFYSA-N 1 0 317.477 3.556 1 0 DHAFRO CC[N@@H+]1CCC[C@H]1CN(C)CCc1ccc(Cl)c(Cl)c1 ZINC000022935746 182342198 /nfs/dbraw/zinc/34/21/98/182342198.db2.gz PRSIMIPYQSHJOR-AWEZNQCLSA-N 1 0 315.288 3.952 1 0 DHAFRO Cc1ccc2snc(NC(=O)[C@H](C)[NH2+]C3CCCCC3)c2c1 ZINC000040977246 183154171 /nfs/dbraw/zinc/15/41/71/183154171.db2.gz ILCFOPIURCNHCV-LBPRGKRZSA-N 1 0 317.458 3.854 1 0 DHAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cl)nc(Cl)c3)cc2c1 ZINC000043066657 183333764 /nfs/dbraw/zinc/33/37/64/183333764.db2.gz AIEBRJDRMMJKRY-UHFFFAOYSA-N 1 0 305.168 3.821 1 0 DHAFRO CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c3ccccc23)CC1 ZINC000061926563 184196121 /nfs/dbraw/zinc/19/61/21/184196121.db2.gz JQBVIJUDUHZUBT-KRWDZBQOSA-N 1 0 324.468 3.886 3 0 DHAFRO CSc1ccccc1CNC(=O)[C@@]1(C)CCC[N@@H+]1CC(C)C ZINC000061929805 184196245 /nfs/dbraw/zinc/19/62/45/184196245.db2.gz ISPWZSXFLJHLIY-GOSISDBHSA-N 1 0 320.502 3.535 3 0 DHAFRO O=C(c1ccc2[nH]ccc2c1)[C@@]1(Cc2ccccc2)CCC[NH2+]1 ZINC000064373364 184296063 /nfs/dbraw/zinc/29/60/63/184296063.db2.gz LPLLJFFJYKVRLO-FQEVSTJZSA-N 1 0 304.393 3.716 1 0 DHAFRO Fc1ccc(-c2csc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1F ZINC000102662755 526315208 /nfs/dbraw/zinc/31/52/08/526315208.db2.gz DHGHGALHAUPQNL-ABAIWWIYSA-N 1 0 322.380 3.624 1 0 DHAFRO COc1ccc(Oc2cncc(C3=C[C@@H]4C[NH2+]C[C@H](C3)C4)c2)cc1 ZINC000095573388 185380447 /nfs/dbraw/zinc/38/04/47/185380447.db2.gz ZAGVNQCMOLWFKV-CABCVRRESA-N 1 0 322.408 3.895 1 0 DHAFRO c1ccc(OCCn2c3ccccc3nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000082157617 185174025 /nfs/dbraw/zinc/17/40/25/185174025.db2.gz YKMYFJKVCCQVAY-INIZCTEOSA-N 1 0 321.424 3.582 1 0 DHAFRO COC[C@]12C[C@@]1(c1ccc(Cl)c(Cl)c1)CC[N@H+](C)C2 ZINC000096901219 185390434 /nfs/dbraw/zinc/39/04/34/185390434.db2.gz LNWGBLPMTUFHJM-HUUCEWRRSA-N 1 0 300.229 3.603 1 0 DHAFRO CN(C)CC[NH2+][C@H]1C2C[C@H]3C[C@@H](C2)CC1(Cc1ccccc1)C3 ZINC000096931458 185392394 /nfs/dbraw/zinc/39/23/94/185392394.db2.gz NZVUXYDUMOMHCM-LWUIHUKISA-N 1 0 312.501 3.575 1 0 DHAFRO C[C@H]1C[NH+](CCCc2ccccc2)C[C@H](C)N1c1cccc(O)c1 ZINC000071296593 190954016 /nfs/dbraw/zinc/95/40/16/190954016.db2.gz WCSBSVKXTPXOBT-ROUUACIJSA-N 1 0 324.468 3.924 1 0 DHAFRO O=C1CCc2cc3c(c4c5c(cccc5Cl)n1c42)CC[NH2+]C3 ZINC000013558704 181861775 /nfs/dbraw/zinc/86/17/75/181861775.db2.gz VETMSBQYQCVNTI-UHFFFAOYSA-N 1 0 310.784 3.680 1 0 DHAFRO COC(=O)[C@H](c1ccc(-c2ccccc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000029474327 182567028 /nfs/dbraw/zinc/56/70/28/182567028.db2.gz VXDNLRUKPYJOES-RBUKOAKNSA-N 1 0 309.409 3.752 1 0 DHAFRO CCCn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCc1cccs1 ZINC000034162720 182730854 /nfs/dbraw/zinc/73/08/54/182730854.db2.gz OULZWYCPBSYAPA-INIZCTEOSA-N 1 0 316.470 3.530 1 0 DHAFRO Cc1ccc2c(c1)CC(CC[NH+](C)C)=C2[C@@H](C)c1cnccn1 ZINC000038277713 182997159 /nfs/dbraw/zinc/99/71/59/182997159.db2.gz OWMBYQVIMDTSAW-HNNXBMFYSA-N 1 0 307.441 3.850 1 0 DHAFRO COc1cccc(C[C@@]2(c3ccc4[nH]ccc4c3)CC[NH2+]C2)c1 ZINC000040394181 183061078 /nfs/dbraw/zinc/06/10/78/183061078.db2.gz NPBACWUTGOBPGG-FQEVSTJZSA-N 1 0 306.409 3.650 1 0 DHAFRO COc1ccc(-[n+]2c(C)cc3cc(OC)cc(OC)c3c2C)cc1 ZINC000040935507 183149000 /nfs/dbraw/zinc/14/90/00/183149000.db2.gz IHFYQXHCXJLGNH-UHFFFAOYSA-N 1 0 324.400 3.759 1 0 DHAFRO Clc1cccc(O[C@@H](c2cccnc2)C2CC[NH2+]CC2)c1 ZINC000043012100 183328031 /nfs/dbraw/zinc/32/80/31/183328031.db2.gz RYZMJJMMTKGIGG-QGZVFWFLSA-N 1 0 302.805 3.855 1 0 DHAFRO CCCNC(=O)[C@]1(C)CC[N@H+](Cc2csc3ccccc23)C1 ZINC000061906940 184194582 /nfs/dbraw/zinc/19/45/82/184194582.db2.gz OYAAOSYOCWCKLF-GOSISDBHSA-N 1 0 316.470 3.640 3 0 DHAFRO CC(C)NC(=O)[C@]1(C)CCC[N@@H+]1Cc1csc2ccccc12 ZINC000061908982 184194593 /nfs/dbraw/zinc/19/45/93/184194593.db2.gz WXLJBQVCCUSCLT-SFHVURJKSA-N 1 0 316.470 3.780 3 0 DHAFRO CC(C)[N@@H+]1CC[C@@](C)(C(=O)Nc2ccc(-n3cccc3)cc2)C1 ZINC000061927141 184196334 /nfs/dbraw/zinc/19/63/34/184196334.db2.gz MSLYGGXDGFQKMO-LJQANCHMSA-N 1 0 311.429 3.536 3 0 DHAFRO Cc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@@H](CON3C)C[NH2+]2)c1 ZINC000061942324 184197210 /nfs/dbraw/zinc/19/72/10/184197210.db2.gz YLQLKDDNLGKDNY-HOJAQTOUSA-N 1 0 308.425 3.558 3 0 DHAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccncc2)cc1 ZINC000000007633 581098381 /nfs/dbraw/zinc/09/83/81/581098381.db2.gz QBACMJFLMUCPNA-UHFFFAOYSA-N 1 0 322.387 3.676 1 0 investigational DHAFRO O=C(NCCC[NH2+]Cc1ccc(Cl)cc1)Nc1ccccc1 ZINC000095578366 185380818 /nfs/dbraw/zinc/38/08/18/185380818.db2.gz OAUSDFQVPQOYRP-UHFFFAOYSA-N 1 0 317.820 3.641 1 0 DHAFRO O=c1cc(-c2ccccc2)c2ccccc2n1C[C@@H]1CCC[NH2+]C1 ZINC000095587433 185381484 /nfs/dbraw/zinc/38/14/84/185381484.db2.gz UNHPJHBWQMDGOZ-MRXNPFEDSA-N 1 0 318.420 3.668 1 0 DHAFRO NC(=[NH2+])N1[C@@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1 ZINC000103262164 185442217 /nfs/dbraw/zinc/44/22/17/185442217.db2.gz HGCFIBNNXSYEAC-PMACEKPBSA-N 1 0 321.468 3.978 1 0 DHAFRO CCCCc1ccc(CCc2ccc(O)c(OCC[NH2+]C)c2)o1 ZINC000085624492 290922711 /nfs/dbraw/zinc/92/27/11/290922711.db2.gz JGIRYJWIVVTPIM-UHFFFAOYSA-N 1 0 317.429 3.711 1 0 biogenic,in-vitro DHAFRO CC(C)[C@@H](c1nnnn1C1CCCC1)[N@H+](C)C1CCCCC1 ZINC000004190514 181083954 /nfs/dbraw/zinc/08/39/54/181083954.db2.gz VZBFECGBKIHSLU-INIZCTEOSA-N 1 0 305.470 3.750 3 0 DHAFRO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000005730007 181277919 /nfs/dbraw/zinc/27/79/19/181277919.db2.gz FMTHLQDBSCILBQ-APAFKAMOSA-N 1 0 311.510 3.557 1 0 DHAFRO CCC[N@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@H](c2ccccc2)C1 ZINC000006380282 181335906 /nfs/dbraw/zinc/33/59/06/181335906.db2.gz KNWKLRLXJUXIEP-KRWDZBQOSA-N 1 0 307.397 3.557 1 0 DHAFRO C[NH+](C)CC[C@H](NC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000013684748 181879188 /nfs/dbraw/zinc/87/91/88/181879188.db2.gz YRADGJJCFQKTIE-KRWDZBQOSA-N 1 0 316.832 3.763 1 0 DHAFRO Clc1cccc(C[C@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000036093202 182797985 /nfs/dbraw/zinc/79/79/85/182797985.db2.gz LTKQGPSHVUGDKE-GOSISDBHSA-N 1 0 300.833 3.529 1 0 in-vivo DHAFRO c1[nH]c2ncccc2c1CC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000038538545 183001879 /nfs/dbraw/zinc/00/18/79/183001879.db2.gz RRNSUOWXTVZIKJ-UHFFFAOYSA-N 1 0 303.409 3.895 1 0 DHAFRO CCC[NH+]1CCC(Oc2nc3ccsc3n3cccc23)CC1 ZINC000040401621 183061707 /nfs/dbraw/zinc/06/17/07/183061707.db2.gz BMAWTQIEOWRONY-UHFFFAOYSA-N 1 0 315.442 3.802 1 0 DHAFRO Clc1cccc(O[C@H](c2cccnc2)C2CC[NH2+]CC2)c1 ZINC000043012103 183327879 /nfs/dbraw/zinc/32/78/79/183327879.db2.gz RYZMJJMMTKGIGG-KRWDZBQOSA-N 1 0 302.805 3.855 1 0 DHAFRO Cc1cc2nc(C)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)n2n1 ZINC000058602813 184124497 /nfs/dbraw/zinc/12/44/97/184124497.db2.gz FJEDEPBFKRNUAO-UHFFFAOYSA-N 1 0 321.211 3.779 1 0 DHAFRO CC(C)c1ccc(NC(=O)Nc2nc([C@H](C)[NH3+])cs2)cc1 ZINC000061906575 184194798 /nfs/dbraw/zinc/19/47/98/184194798.db2.gz GEAHTTHEUFDJOQ-JTQLQIEISA-N 1 0 304.419 3.930 3 0 DHAFRO O=C(OCc1ccccc1)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000064415703 184296522 /nfs/dbraw/zinc/29/65/22/184296522.db2.gz MNFUKEWWCUWTRK-RTBURBONSA-N 1 0 309.409 3.656 1 0 in-vivo DHAFRO O[C@](CC[NH+]1CCCCC1)(c1ccccc1)[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000043781595 563877309 /nfs/dbraw/zinc/87/73/09/563877309.db2.gz YSXKPIUOCJLQIE-IZZBFERCSA-N 1 0 311.469 3.962 1 0 DHAFRO COc1ccccc1Oc1cncc(C2=C[C@H]3C[NH2+]C[C@@H](C2)C3)c1 ZINC000095577475 185380866 /nfs/dbraw/zinc/38/08/66/185380866.db2.gz TWVKXXKMLUVNDJ-LSDHHAIUSA-N 1 0 322.408 3.895 1 0 DHAFRO CCn1c(C[NH3+])c(-c2ccccc2)c2cc(Cl)ccc2c1=O ZINC000072105383 191036824 /nfs/dbraw/zinc/03/68/24/191036824.db2.gz RUISLPRFZCDNNT-UHFFFAOYSA-N 1 0 312.800 3.801 1 0 DHAFRO c1ccc(C2CC[NH+](CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000072120522 191040492 /nfs/dbraw/zinc/04/04/92/191040492.db2.gz FKBXEHAVEDPWTC-UHFFFAOYSA-N 1 0 305.425 3.985 1 0 DHAFRO COC[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)[NH2+]2 ZINC000003953163 181058816 /nfs/dbraw/zinc/05/88/16/181058816.db2.gz FPTPUYCHSWIWIB-FUTJPDQTSA-N 1 0 300.229 3.864 1 0 investigational DHAFRO CC[NH+](CC)C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000004536556 181121140 /nfs/dbraw/zinc/12/11/40/181121140.db2.gz SESFKFGXDNOXQN-IBGZPJMESA-N 1 0 323.436 3.630 1 0 DHAFRO c1ccc2c(c1)Cc1ccccc1N1O[C@@H](C[NH+]3CCCC3)C[C@H]21 ZINC000013436934 181849656 /nfs/dbraw/zinc/84/96/56/181849656.db2.gz SHNQYDFOONPSKV-WIYYLYMNSA-N 1 0 320.436 3.938 1 0 DHAFRO CC(C)[C@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@@H+]21 ZINC000019328390 182115546 /nfs/dbraw/zinc/11/55/46/182115546.db2.gz KAPLWYIKWWQMQW-MISYRCLQSA-N 1 0 309.457 3.917 1 0 DHAFRO COc1ccc2c(c1)CC(N(C)C)=[NH+][C@@H]2c1ccc(Cl)cc1 ZINC000026575389 182446490 /nfs/dbraw/zinc/44/64/90/182446490.db2.gz VYYXRMGQQFOLPM-GOSISDBHSA-N 1 0 314.816 3.954 1 0 DHAFRO C[C@@H](c1ccc(CN2C[C@@H](C)OC2=O)cc1)[NH+]1CCCCC1 ZINC000040413144 183063052 /nfs/dbraw/zinc/06/30/52/183063052.db2.gz JQNPPGYUOXGPAM-CABCVRRESA-N 1 0 302.418 3.574 1 0 DHAFRO CC(C)NC(=O)[C@@]1(C)CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000061907709 184194688 /nfs/dbraw/zinc/19/46/88/184194688.db2.gz PTYDGCPGLCCOCR-OAQYLSRUSA-N 1 0 322.452 3.843 3 0 DHAFRO C[C@@H](Cn1c(=O)cc(-c2ccccc2)c2ccccc21)C[NH+](C)C ZINC000095587209 185381636 /nfs/dbraw/zinc/38/16/36/185381636.db2.gz IIDYQBCGNGALRC-MRXNPFEDSA-N 1 0 320.436 3.866 1 0 DHAFRO C[C@H](Cn1c(=O)cc(-c2ccccc2)c2ccccc21)C[NH+](C)C ZINC000095587210 185381785 /nfs/dbraw/zinc/38/17/85/185381785.db2.gz IIDYQBCGNGALRC-INIZCTEOSA-N 1 0 320.436 3.866 1 0 DHAFRO CO[C@H]1O[C@@]2(CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000084730038 192462481 /nfs/dbraw/zinc/46/24/81/192462481.db2.gz NFJZXOGXNFLZDN-VQTJNVASSA-N 1 0 309.409 3.506 1 0 DHAFRO C[NH2+]C[C@H](O)CC12CCC([C@@H]3CCCC[C@@H]31)[C@@H]1CCCC[C@@H]12 ZINC000195400371 201386203 /nfs/dbraw/zinc/38/62/03/201386203.db2.gz ZRGONKKAENTXKT-UUGTVSRRSA-N 1 0 305.506 3.980 1 0 DHAFRO COc1ccccc1[C@@H]1CC[C@@]2(CCCN[C@H]2c2ccccc2)[NH2+]1 ZINC000022939065 182343505 /nfs/dbraw/zinc/34/35/05/182343505.db2.gz LKTJRLOXOYSXCH-SESVDKBCSA-N 1 0 322.452 3.983 1 0 DHAFRO C[C@@H](C[NH+]1CCCC1)N(C)CCc1ccc(Cl)c(Cl)c1 ZINC000022924849 182340741 /nfs/dbraw/zinc/34/07/41/182340741.db2.gz DBYCCKZCPWSDEM-ZDUSSCGKSA-N 1 0 315.288 3.952 1 0 DHAFRO O[C@H](c1ccnc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000027523264 182475333 /nfs/dbraw/zinc/47/53/33/182475333.db2.gz VHIDLFMQUGZQQI-UKRRQHHQSA-N 1 0 311.212 3.717 1 0 DHAFRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3Cc1cccc(OC)c1 ZINC000028889393 182544173 /nfs/dbraw/zinc/54/41/73/182544173.db2.gz RVMXCARDLOKQQD-IBGZPJMESA-N 1 0 322.408 3.615 1 0 DHAFRO c1cc2c(OCCC[NH+]3CCCCC3)nc3ccsc3n2c1 ZINC000040395656 183060754 /nfs/dbraw/zinc/06/07/54/183060754.db2.gz ALQLSDCRWBIKMM-UHFFFAOYSA-N 1 0 315.442 3.804 1 0 DHAFRO Cc1csc2nc(OCC3CC[NH+](C)CC3)c3cccn3c12 ZINC000040394474 183060812 /nfs/dbraw/zinc/06/08/12/183060812.db2.gz XZIPEEAYDRLTMX-UHFFFAOYSA-N 1 0 315.442 3.578 1 0 DHAFRO CO[C@@H]1Cc2sccc2C2(CC[NH+](CCC(C)C)CC2)O1 ZINC000040828422 183138032 /nfs/dbraw/zinc/13/80/32/183138032.db2.gz HVNLHKYTEKRJPK-INIZCTEOSA-N 1 0 309.475 3.631 1 0 DHAFRO C[NH2+]C[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Cl ZINC000040981003 183154328 /nfs/dbraw/zinc/15/43/28/183154328.db2.gz WINONEAFBRSOAL-IRXDYDNUSA-N 1 0 303.789 3.578 1 0 DHAFRO CC1(C)C[C@@]2(C[N@H+](Cc3ccccc3)CCO2)c2ccccc2O1 ZINC000040979114 183154579 /nfs/dbraw/zinc/15/45/79/183154579.db2.gz QQYBBCAZZVHXCC-OAQYLSRUSA-N 1 0 323.436 3.975 1 0 DHAFRO CCCCCCOc1ccc(C(=O)CC[NH+](C)C)c(N(C)C)c1 ZINC000042989101 183326379 /nfs/dbraw/zinc/32/63/79/183326379.db2.gz YJUFQRISAJWTSK-UHFFFAOYSA-N 1 0 320.477 3.846 1 0 DHAFRO CC(=O)c1cccc(-c2ccc(N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)cc2)c1 ZINC000043013161 183327778 /nfs/dbraw/zinc/32/77/78/183327778.db2.gz PLMACRZMDZRVLD-CTNGQTDRSA-N 1 0 320.436 3.697 1 0 DHAFRO c1cc2cc(N(CCc3ccccc3)C3CC[NH2+]CC3)ccc2[nH]1 ZINC000043078696 183335217 /nfs/dbraw/zinc/33/52/17/183335217.db2.gz VLCJRBGIGILJAS-UHFFFAOYSA-N 1 0 319.452 3.969 1 0 DHAFRO Cc1ccc(Oc2cc(OCCF)ccc2C[NH+](C)C)c(N)c1 ZINC000045336242 183498132 /nfs/dbraw/zinc/49/81/32/183498132.db2.gz ICYDUOWTRYFBOY-UHFFFAOYSA-N 1 0 318.392 3.779 1 0 DHAFRO COc1nccnc1[C@H](C)C1=C(CC[NH+](C)C)Cc2ccccc21 ZINC000049072070 183710093 /nfs/dbraw/zinc/71/00/93/183710093.db2.gz VNNFGZRIODMCIW-CQSZACIVSA-N 1 0 323.440 3.550 1 0 DHAFRO O=C(c1ccc2[nH]ccc2c1)[C@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC000058638814 184125551 /nfs/dbraw/zinc/12/55/51/184125551.db2.gz JHBXYVBNWXENQD-NRFANRHFSA-N 1 0 318.420 3.963 1 0 DHAFRO CC(C)c1ccc(NC(=O)Nc2nc([C@@H](C)[NH3+])cs2)cc1 ZINC000061906574 184194759 /nfs/dbraw/zinc/19/47/59/184194759.db2.gz GEAHTTHEUFDJOQ-SNVBAGLBSA-N 1 0 304.419 3.930 3 0 DHAFRO c1cc(C[NH+]2CCN(c3ccccc3)CC2)n(-c2ccccc2)c1 ZINC000028111538 134670434 /nfs/dbraw/zinc/67/04/34/134670434.db2.gz PDPMXFHMDDUMAC-UHFFFAOYSA-N 1 0 317.436 3.800 1 0 DHAFRO c1ccc2[nH]c(Oc3ccc(OCC[NH+]4CCCC4)cc3)nc2c1 ZINC000034502061 581091991 /nfs/dbraw/zinc/09/19/91/581091991.db2.gz ZBHRRRVHULNSNN-UHFFFAOYSA-N 1 0 323.396 3.830 1 0 DHAFRO Cc1ccc(C[NH2+]C[C@H]2C[C@@]3(c4ccccc4)CCN2C3)cc1 ZINC000095589467 185381922 /nfs/dbraw/zinc/38/19/22/185381922.db2.gz IRNIWEWRLAHBGO-RTWAWAEBSA-N 1 0 306.453 3.501 1 0 DHAFRO CN(C)CC[NH2+][C@@H]1C2C[C@H]3C[C@@H](C2)CC1(Cc1ccccc1)C3 ZINC000096931456 185392508 /nfs/dbraw/zinc/39/25/08/185392508.db2.gz NZVUXYDUMOMHCM-HYUQFDPSSA-N 1 0 312.501 3.575 1 0 DHAFRO C[NH+](C)Cc1ccccc1-c1nc2ccccc2c(NC2CC2)n1 ZINC000004265697 181090008 /nfs/dbraw/zinc/09/00/08/181090008.db2.gz ASMXBXJBLMMZPP-UHFFFAOYSA-N 1 0 318.424 3.933 1 0 DHAFRO CC[NH+](CC)CC(=O)N[C@H]1c2ccccc2Oc2c(C)cccc21 ZINC000005722580 181277040 /nfs/dbraw/zinc/27/70/40/181277040.db2.gz MUWUAXSKRJVAGF-IBGZPJMESA-N 1 0 324.424 3.648 1 0 DHAFRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)N2CCCC2)s1 ZINC000023479078 182361269 /nfs/dbraw/zinc/36/12/69/182361269.db2.gz WDELSTYPHASMKA-CQSZACIVSA-N 1 0 306.475 3.777 1 0 DHAFRO C[NH+](C)C[C@@H]1Cc2cccc3c4c(n(c32)C1)Cc1ccccc1-4 ZINC000028097217 182508754 /nfs/dbraw/zinc/50/87/54/182508754.db2.gz XYQAJNOOXBLNLC-AWEZNQCLSA-N 1 0 302.421 3.946 1 0 DHAFRO O[C@H]1CC[C@H](c2ccc(OCCC[NH+]3CCCCC3)cc2)CC1 ZINC000101675704 193834823 /nfs/dbraw/zinc/83/48/23/193834823.db2.gz VKZMICHNLVMXRJ-IZAXUBKRSA-N 1 0 317.473 3.960 1 0 DHAFRO C[NH+](C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1 ZINC000038248076 182996537 /nfs/dbraw/zinc/99/65/37/182996537.db2.gz RJAXVZUSTIFVGP-UHFFFAOYSA-N 1 0 313.832 3.634 1 0 DHAFRO COc1cccc(C[C@]2(c3ccc4[nH]ccc4c3)CC[NH2+]C2)c1 ZINC000040394179 183060822 /nfs/dbraw/zinc/06/08/22/183060822.db2.gz NPBACWUTGOBPGG-HXUWFJFHSA-N 1 0 306.409 3.650 1 0 DHAFRO CC(C)c1ccccc1C(=O)N(CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000043016948 183328507 /nfs/dbraw/zinc/32/85/07/183328507.db2.gz FGTRDYXFZBKEJR-KRWDZBQOSA-N 1 0 314.473 3.804 1 0 DHAFRO CC(C)c1ccccc1C(=O)N(C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000043016942 183328700 /nfs/dbraw/zinc/32/87/00/183328700.db2.gz HGAHRPAUWSBEBM-INIZCTEOSA-N 1 0 300.446 3.557 1 0 DHAFRO CC(C)CC[C@]1(C(=O)c2cc3cc[nH]c3c(F)c2)CC[NH2+]C1 ZINC000058581761 184123360 /nfs/dbraw/zinc/12/33/60/184123360.db2.gz KIMRUTAJTDBFHO-SFHVURJKSA-N 1 0 302.393 3.906 1 0 DHAFRO CCNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000061906276 184193988 /nfs/dbraw/zinc/19/39/88/184193988.db2.gz NSNZDMGONHUPCD-OAQYLSRUSA-N 1 0 322.452 3.702 3 0 DHAFRO Cc1nc2cc(NC(=O)[C@@]3(C)CCC[N@@H+](C(C)C)C3)ccc2o1 ZINC000061906956 184194666 /nfs/dbraw/zinc/19/46/66/184194666.db2.gz SGWBJSYGLRWJNH-SFHVURJKSA-N 1 0 315.417 3.585 3 0 DHAFRO O=C(c1cc2cc[nH]c2c(F)c1)[C@]1(Cc2ccccc2)CC[NH2+]C1 ZINC000062225274 184224139 /nfs/dbraw/zinc/22/41/39/184224139.db2.gz ZOOYCXCRVKSAIY-FQEVSTJZSA-N 1 0 322.383 3.712 1 0 DHAFRO FC(F)(F)c1ccc2nc(N3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000013607451 134514053 /nfs/dbraw/zinc/51/40/53/134514053.db2.gz MHWHBMVPYRSQGR-UHFFFAOYSA-N 1 0 321.346 3.538 1 0 DHAFRO CC1(C)[C@H]2C[C@@H]1C(C[NH+]1CCN(Cc3ccccc3)CC1)=CC2 ZINC000019633314 563416331 /nfs/dbraw/zinc/41/63/31/563416331.db2.gz VYDSERDQKGBGPN-WOJBJXKFSA-N 1 0 310.485 3.797 1 0 DHAFRO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2oc3ccccc3c21 ZINC000003109233 581093405 /nfs/dbraw/zinc/09/34/05/581093405.db2.gz HGDYQUMVUUMEFM-ZDUSSCGKSA-N 1 0 313.397 3.714 1 0 in-vivo DHAFRO Fc1ccc(-c2n[nH]c([C@@H]3CCC[NH2+]C3)c2-c2ccncc2)cc1 ZINC000049070803 581098375 /nfs/dbraw/zinc/09/83/75/581098375.db2.gz ZHXVDAZDTCKPLN-OAHLLOKOSA-N 1 0 322.387 3.745 1 0 DHAFRO CC(=O)O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000103277144 185443325 /nfs/dbraw/zinc/44/33/25/185443325.db2.gz FWDJBQGSJBAJPZ-VQTJNVASSA-N 1 0 315.457 3.815 1 0 DHAFRO C[NH+](C)Cc1ccccc1-c1cncnc1NCc1ccccc1 ZINC000004267543 181090344 /nfs/dbraw/zinc/09/03/44/181090344.db2.gz HIOHBGJJRDWEKE-UHFFFAOYSA-N 1 0 318.424 3.817 1 0 DHAFRO C[C@@H]1Cn2c(=O)[nH]c3cccc(c32)CN1C/C=C\c1ccccc1 ZINC000006488710 181345033 /nfs/dbraw/zinc/34/50/33/181345033.db2.gz WRLCBOFBNURUFU-WUKHSURWSA-N 1 0 319.408 3.659 1 0 DHAFRO CCCN(CCC)C(=O)/C(=C\[C@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000013530014 181858080 /nfs/dbraw/zinc/85/80/80/181858080.db2.gz FWADVVSONKNMLR-UFSZVFTQSA-N 1 0 314.473 3.779 1 0 DHAFRO CCCN(CCC)C(=O)/C(=C\[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000013530029 181858518 /nfs/dbraw/zinc/85/85/18/181858518.db2.gz BSCQADDQTNWHJX-SKQHNDAPSA-N 1 0 318.436 3.610 1 0 DHAFRO c1n[nH]cc1-c1ccc(C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000014960991 581091118 /nfs/dbraw/zinc/09/11/18/581091118.db2.gz LKFDJWGYWDCRPC-UHFFFAOYSA-N 1 0 303.409 3.746 1 0 DHAFRO CCC[NH+](CCC)[C@@H]1COc2c(SC)ccc(OC)c2C1 ZINC000029346048 182562182 /nfs/dbraw/zinc/56/21/82/182562182.db2.gz OSAFTUHMDVBMAD-ZDUSSCGKSA-N 1 0 309.475 3.843 1 0 DHAFRO CO[C@H]1Cc2sccc2C2(CC[NH+](CC=C(C)C)CC2)O1 ZINC000040956138 183151567 /nfs/dbraw/zinc/15/15/67/183151567.db2.gz AOCHGAMNUIJVHV-MRXNPFEDSA-N 1 0 307.459 3.551 1 0 DHAFRO CCCCCCOc1ccc(C(=O)CC[NH+](C)C)cc1OC ZINC000042920139 183318662 /nfs/dbraw/zinc/31/86/62/183318662.db2.gz HMTHCZRAGBOZBV-UHFFFAOYSA-N 1 0 307.434 3.789 1 0 DHAFRO CSc1ccc(O[C@H](c2cccnc2)C2CC[NH2+]CC2)cc1 ZINC000043121724 183338855 /nfs/dbraw/zinc/33/88/55/183338855.db2.gz UPHOWEAWENOKEG-SFHVURJKSA-N 1 0 314.454 3.923 1 0 DHAFRO c1cc2cc(N(Cc3ccccc3)C3CC[NH2+]CC3)ccc2[nH]1 ZINC000043067655 183333902 /nfs/dbraw/zinc/33/39/02/183333902.db2.gz KSQOUNJPKDJKKL-UHFFFAOYSA-N 1 0 305.425 3.927 1 0 DHAFRO COC1=CC(c2ccc[nH]2)=[NH+]C1=CN[C@@H]1CCCc2ccccc21 ZINC000058584072 184123558 /nfs/dbraw/zinc/12/35/58/184123558.db2.gz PZIOJPRWRUKWIY-YZYPPFLQSA-N 1 0 319.408 3.856 1 0 DHAFRO CCCNC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000061905648 184194072 /nfs/dbraw/zinc/19/40/72/184194072.db2.gz PMHJPBSCZYIOFR-NRFANRHFSA-N 1 0 324.468 3.968 3 0 DHAFRO CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c3ccccc23)CC1 ZINC000061926562 184196296 /nfs/dbraw/zinc/19/62/96/184196296.db2.gz JQBVIJUDUHZUBT-QGZVFWFLSA-N 1 0 324.468 3.886 3 0 DHAFRO CCCNC(=O)[C@]1(C)CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000061930949 184196330 /nfs/dbraw/zinc/19/63/30/184196330.db2.gz CJOLBZMODWQBEE-OAQYLSRUSA-N 1 0 324.468 3.968 3 0 DHAFRO Cc1ccc(-c2cc3c(nc[nH+]c3NN)n2-c2ccccc2)cc1 ZINC000064436312 184296605 /nfs/dbraw/zinc/29/66/05/184296605.db2.gz NMWPQABGNFCKPG-UHFFFAOYSA-N 1 0 315.380 3.682 1 0 DHAFRO O=C(c1ccc2[nH]ccc2c1)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC000064436474 184296778 /nfs/dbraw/zinc/29/67/78/184296778.db2.gz JHBXYVBNWXENQD-OAQYLSRUSA-N 1 0 318.420 3.963 1 0 DHAFRO Cc1cccc(Cl)c1Oc1cccc(F)c1OC1C[NH2+]C1 ZINC000066262208 184399784 /nfs/dbraw/zinc/39/97/84/184399784.db2.gz VHKIHYNCEPOAKX-UHFFFAOYSA-N 1 0 307.752 3.930 1 0 DHAFRO C[NH2+]CCCC[C@@H]1Cc2ccccc2N(c2ccccc2)C1=O ZINC000028527769 134670938 /nfs/dbraw/zinc/67/09/38/134670938.db2.gz CJVNIBWRWXJTAF-QGZVFWFLSA-N 1 0 308.425 3.913 1 0 DHAFRO COCC[N@@H+]1CC=CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000095584141 185381808 /nfs/dbraw/zinc/38/18/08/185381808.db2.gz RZPGXWQFZWSYES-ZDUSSCGKSA-N 1 0 300.229 3.985 1 0 DHAFRO COc1cccc(Cn2c3ccccc3nc2[C@@H]([NH3+])C(C)C)c1 ZINC000072116826 191039534 /nfs/dbraw/zinc/03/95/34/191039534.db2.gz POIJIJWTBJAPET-SFHVURJKSA-N 1 0 309.413 3.749 1 0 DHAFRO CCC[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(OC)c1 ZINC000072119736 191040996 /nfs/dbraw/zinc/04/09/96/191040996.db2.gz PZQXZXVBKKWTBW-INIZCTEOSA-N 1 0 309.413 3.893 1 0 DHAFRO CC(C)c1ccc(-c2nc(CNCCC[NH+](C)C)co2)cc1 ZINC000072181813 191072427 /nfs/dbraw/zinc/07/24/27/191072427.db2.gz JMVTYFWVGXDMRI-UHFFFAOYSA-N 1 0 301.434 3.506 1 0 DHAFRO O[C@@]1(CCc2ccc(-c3ccccc3)cc2)C[NH+]2CCC1CC2 ZINC000003795467 181045936 /nfs/dbraw/zinc/04/59/36/181045936.db2.gz YKNCIAFTQIFEPS-NRFANRHFSA-N 1 0 307.437 3.743 1 0 DHAFRO CC[C@]12CCC[C@H]3[C@H]([NH3+])Cc4c5c(cccc5O)n(c4[C@H]31)C(=O)C2 ZINC000003790176 181046305 /nfs/dbraw/zinc/04/63/05/181046305.db2.gz ORHYNXCJIJVHNI-SECSQBBTSA-N 1 0 324.424 3.554 1 0 DHAFRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@]1(OC(=O)c1ccco1)c1ccccc1 ZINC000004776407 181150877 /nfs/dbraw/zinc/15/08/77/181150877.db2.gz HGXBXQXWBLWWHO-ZRGWGRIASA-N 1 0 313.397 3.692 2 0 DHAFRO CCC[NH+](CCC)[C@@H]1CCn2c(ccc2C(=O)C(F)(F)F)C1 ZINC000013642145 181871760 /nfs/dbraw/zinc/87/17/60/181871760.db2.gz FWLGDHKTYMRCAQ-GFCCVEGCSA-N 1 0 316.367 3.670 1 0 DHAFRO CC[C@]12CCC[C@H]3[C@H]([NH3+])Cc4c5ccccc5n(c4[C@H]31)C(=O)C2 ZINC000027899687 182496566 /nfs/dbraw/zinc/49/65/66/182496566.db2.gz QFZGEPDXDDGBIU-HDCAYBSHSA-N 1 0 308.425 3.849 1 0 DHAFRO CCOCC[C@]1(c2ccc(Cl)c(Cl)c2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000101991350 193854565 /nfs/dbraw/zinc/85/45/65/193854565.db2.gz NGRIUVQYFBDXMT-JYAVWHMHSA-N 1 0 300.229 3.507 1 0 DHAFRO CC(C)Cn1c(C[NH3+])c(-c2ccccc2)c2ccccc2c1=O ZINC000040975772 183153385 /nfs/dbraw/zinc/15/33/85/183153385.db2.gz ACLHQUPQJWHLFP-UHFFFAOYSA-N 1 0 306.409 3.783 1 0 DHAFRO CN(C)c1cc(N)c2c3c(n(Cc4ccccc4)c2[nH+]1)CCCC3 ZINC000043073216 183334548 /nfs/dbraw/zinc/33/45/48/183334548.db2.gz GNHCVIJSWBFLGB-UHFFFAOYSA-N 1 0 320.440 3.612 1 0 DHAFRO CCNC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000061903876 184194081 /nfs/dbraw/zinc/19/40/81/184194081.db2.gz HKXJTGYWDGSIIN-NRFANRHFSA-N 1 0 322.452 3.702 3 0 DHAFRO CC(C)NC(=O)[C@]1(C)CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000061907708 184194729 /nfs/dbraw/zinc/19/47/29/184194729.db2.gz PTYDGCPGLCCOCR-NRFANRHFSA-N 1 0 322.452 3.843 3 0 DHAFRO Cc1ccc(NC(=O)[C@]2(C)CC[N@@H+]2CCc2ccccc2)cc1 ZINC000061896455 184193122 /nfs/dbraw/zinc/19/31/22/184193122.db2.gz LZTGSRKYTSOSAV-FQEVSTJZSA-N 1 0 308.425 3.641 3 0 DHAFRO Fc1ccccc1Oc1cccc(F)c1O[C@@H]1CCC[NH2+]C1 ZINC000066112444 184390862 /nfs/dbraw/zinc/39/08/62/184390862.db2.gz YYTDEVINWTYBOD-GFCCVEGCSA-N 1 0 305.324 3.888 1 0 DHAFRO C[C@@H](CN1c2ccccc2S(=O)c2ccccc21)C[NH+](C)C ZINC000033903754 257129624 /nfs/dbraw/zinc/12/96/24/257129624.db2.gz XZLXDYORQZVLKR-CQSZACIVSA-N 1 0 314.454 3.503 1 0 DHAFRO O=[n+]1c2ccccc2n2c(c1-c1ccc(Cl)cc1)NCCC2 ZINC000040865839 134722825 /nfs/dbraw/zinc/72/28/25/134722825.db2.gz YGFBOSBTDMXPEN-UHFFFAOYSA-N 1 0 311.772 3.593 1 0 DHAFRO Cc1cc(CN(C)c2ccc3c4c(ccc(C)c42)C(=[NH2+])N3)ccn1 ZINC000013741458 581093194 /nfs/dbraw/zinc/09/31/94/581093194.db2.gz CQYKHBZGISRXRV-UHFFFAOYSA-N 1 0 316.408 3.838 1 0 DHAFRO COc1cc(C)ccc1Sc1ccccc1N1CC[NH2+]CC1 ZINC000095563090 185379956 /nfs/dbraw/zinc/37/99/56/185379956.db2.gz QNJWNYDKHQYCPI-UHFFFAOYSA-N 1 0 314.454 3.564 1 0 DHAFRO COc1cccc(-c2cccc([C@]3(C)CSCC(=[NH2+])N3)c2)c1 ZINC000096906023 185390641 /nfs/dbraw/zinc/39/06/41/185390641.db2.gz KTKIYDOZUNZLBC-SFHVURJKSA-N 1 0 312.438 3.681 1 0 DHAFRO O=C(CC[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 ZINC000169332598 197742303 /nfs/dbraw/zinc/74/23/03/197742303.db2.gz GLWWRBYFZCEKGH-UHFFFAOYSA-N 1 0 301.405 3.957 1 0 DHAFRO C[NH2+]C[C@H](O)CC12CCC([C@@H]3CCCC[C@H]31)[C@@H]1CCCC[C@@H]12 ZINC000195400383 201387078 /nfs/dbraw/zinc/38/70/78/201387078.db2.gz ZRGONKKAENTXKT-KSACYREQSA-N 1 0 305.506 3.980 1 0 DHAFRO CCCCC(=O)Nc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2n1 ZINC000013523725 181857966 /nfs/dbraw/zinc/85/79/66/181857966.db2.gz YYWSIECGFQGNKL-UHFFFAOYSA-N 1 0 314.433 3.501 1 0 DHAFRO CCN1CC[N@H+](C(C)C)[C@@H]2CCn3c4ccccc4c(C)c3[C@@H]21 ZINC000022851030 182336683 /nfs/dbraw/zinc/33/66/83/182336683.db2.gz WXNVFYIBELASJW-UYAOXDASSA-N 1 0 311.473 3.809 1 0 DHAFRO CCCCNc1ccc(C(=O)OCCC[NH+](CC)CC)cc1 ZINC000029037923 182549204 /nfs/dbraw/zinc/54/92/04/182549204.db2.gz VIQCXABXTSNZER-UHFFFAOYSA-N 1 0 306.450 3.787 1 0 DHAFRO CCCCC(=O)Oc1c(OC)cc2cc[nH+]c3ccn(C)c1c23 ZINC000038960203 183013388 /nfs/dbraw/zinc/01/33/88/183013388.db2.gz TZFHMCQDGSMNOH-UHFFFAOYSA-N 1 0 312.369 3.831 1 0 DHAFRO CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000040402832 183061793 /nfs/dbraw/zinc/06/17/93/183061793.db2.gz DRWJMJVERMOJBX-GOSISDBHSA-N 1 0 324.424 3.674 1 0 DHAFRO C[C@H](c1ccc(CN2C[C@@H](C)OC2=O)cc1)[NH+]1CCCCC1 ZINC000040413141 183063040 /nfs/dbraw/zinc/06/30/40/183063040.db2.gz JQNPPGYUOXGPAM-HUUCEWRRSA-N 1 0 302.418 3.574 1 0 DHAFRO Cc1c(C2CC[NH2+]CC2)ccnc1OCc1ccccc1F ZINC000040917163 183147788 /nfs/dbraw/zinc/14/77/88/183147788.db2.gz HXOPTJFXVGDXBQ-UHFFFAOYSA-N 1 0 300.377 3.575 1 0 DHAFRO C[C@@H]1CN(Cc2ccc(-c3ccccc3C[NH+](C)C)cc2)C(=O)O1 ZINC000040938766 183149657 /nfs/dbraw/zinc/14/96/57/183149657.db2.gz QVSVPQKKGJCUQS-OAHLLOKOSA-N 1 0 324.424 3.756 1 0 DHAFRO C[NH2+]C[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1SC ZINC000040973318 183153788 /nfs/dbraw/zinc/15/37/88/183153788.db2.gz AKOJURNFNIUCOV-WMZOPIPTSA-N 1 0 315.438 3.647 1 0 DHAFRO C[NH2+]C[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1SC ZINC000040973316 183153862 /nfs/dbraw/zinc/15/38/62/183153862.db2.gz AKOJURNFNIUCOV-AEFFLSMTSA-N 1 0 315.438 3.647 1 0 DHAFRO CCOc1ccccc1O[C@H](c1cccnc1)C1CC[NH2+]CC1 ZINC000043013776 183327454 /nfs/dbraw/zinc/32/74/54/183327454.db2.gz XXHZUORXKGMGAL-IBGZPJMESA-N 1 0 312.413 3.600 1 0 DHAFRO CCCCCCOc1ccc2c(c1)CC[C@H](C[NH+](C)C)C2=O ZINC000043060661 183332488 /nfs/dbraw/zinc/33/24/88/183332488.db2.gz MXQBWNIPLBKLFS-MRXNPFEDSA-N 1 0 303.446 3.952 1 0 DHAFRO CCOCC[C@H]1[C@@H]2C[NH2+]C[C@]12c1ccc(Cl)c(Cl)c1 ZINC000043197505 183344671 /nfs/dbraw/zinc/34/46/71/183344671.db2.gz BWQFRVKQDHYVEW-HUBLWGQQSA-N 1 0 300.229 3.507 1 0 DHAFRO CC(C)[NH2+]C[C@H](COc1cccc2[nH]c3ccccc3c21)O[18F] ZINC000102317193 193874698 /nfs/dbraw/zinc/87/46/98/193874698.db2.gz SOUWHPQCRWFION-VFBCLBCQSA-N 1 0 315.379 3.968 1 0 DHAFRO Cc1ccc2oc(=O)cc(C[C@H]3[NH2+]CCc4ccccc43)c2c1 ZINC000064474967 184297975 /nfs/dbraw/zinc/29/79/75/184297975.db2.gz RCKBYQSSPZOLPB-GOSISDBHSA-N 1 0 305.377 3.531 1 0 DHAFRO c1ccc2c(c1)CC(CC[NH+]1CCCC1)=C2Cc1cnccn1 ZINC000066079065 184387721 /nfs/dbraw/zinc/38/77/21/184387721.db2.gz HOXVEGPFZJNLIG-UHFFFAOYSA-N 1 0 305.425 3.515 1 0 DHAFRO COc1ccc(Oc2cncc(C3=C[C@H]4C[NH2+]C[C@@H](C3)C4)c2)cc1 ZINC000095573389 185380548 /nfs/dbraw/zinc/38/05/48/185380548.db2.gz ZAGVNQCMOLWFKV-LSDHHAIUSA-N 1 0 322.408 3.895 1 0 DHAFRO CC(C)=CC[NH+]1CCC(N2c3ccccc3C(C)(C)C2=O)CC1 ZINC000095591642 185381900 /nfs/dbraw/zinc/38/19/00/185381900.db2.gz YNUUTMCPKXMDLU-UHFFFAOYSA-N 1 0 312.457 3.741 1 0 DHAFRO C[C@@]1(c2cccc(-c3cccc(Cl)c3)c2)NC(=[NH2+])CCO1 ZINC000096906015 185390665 /nfs/dbraw/zinc/39/06/65/185390665.db2.gz DAWFJSNCVYTRMO-QGZVFWFLSA-N 1 0 300.789 3.957 1 0 DHAFRO CCOC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914797 185391297 /nfs/dbraw/zinc/39/12/97/185391297.db2.gz KSKISTNMMFXTLV-AWEZNQCLSA-N 1 0 316.228 3.640 1 0 DHAFRO C[N@@H+]1CC[C@@]2(CCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1 ZINC000096927287 185391898 /nfs/dbraw/zinc/39/18/98/185391898.db2.gz GIVDJBBSPVWSPW-SFTDATJTSA-N 1 0 323.436 3.749 1 0 DHAFRO COc1cc2cc[n+](CCc3ccc(F)cc3)cc2cc1OC ZINC000072104750 191036953 /nfs/dbraw/zinc/03/69/53/191036953.db2.gz VFSIIARDUXSTJS-UHFFFAOYSA-N 1 0 312.364 3.526 1 0 DHAFRO COc1cccc(-c2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)co2)c1 ZINC000072100839 191037081 /nfs/dbraw/zinc/03/70/81/191037081.db2.gz RBIJPYOAZZHNSJ-KBPBESRZSA-N 1 0 300.402 3.828 1 0 DHAFRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1coc(-c2ccc(O)cc2)n1 ZINC000072183259 191071805 /nfs/dbraw/zinc/07/18/05/191071805.db2.gz GSXNBIHHVGTEKJ-AHIWAGSCSA-N 1 0 300.402 3.962 1 0 DHAFRO CC[NH+]1CCN(Cc2coc(-c3cccc4ccccc43)n2)CC1 ZINC000072185696 191073826 /nfs/dbraw/zinc/07/38/26/191073826.db2.gz ADKCQZCKTXQQON-UHFFFAOYSA-N 1 0 321.424 3.632 1 0 DHAFRO Cc1c2c(c(C)c(C)c1N)O[C@@](C)(CC[NH+]1CCCCC1)C2 ZINC000003776393 181045306 /nfs/dbraw/zinc/04/53/06/181045306.db2.gz RQSNVPXBKIEZKR-IBGZPJMESA-N 1 0 302.462 3.764 1 0 DHAFRO O[C@@H]1c2ccccc2CCC12CC[NH+](CCc1ccccc1)CC2 ZINC000003802200 181045853 /nfs/dbraw/zinc/04/58/53/181045853.db2.gz XKIGTQXAOLOQJD-OAQYLSRUSA-N 1 0 321.464 3.991 1 0 DHAFRO C[NH+](C)Cc1ccccc1-c1cc(Nc2ccccc2)ncn1 ZINC000004258504 181089030 /nfs/dbraw/zinc/08/90/30/181089030.db2.gz HNMRDCMDOUNBKN-UHFFFAOYSA-N 1 0 304.397 3.949 1 0 DHAFRO Cc1ccc(Cn2c3ccccc3nc2[C@@H]2C[NH2+]CCS2)cc1 ZINC000073225037 191295924 /nfs/dbraw/zinc/29/59/24/191295924.db2.gz MCVGJQYUOLRXOM-SFHVURJKSA-N 1 0 323.465 3.771 1 0 DHAFRO COc1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]2[NH2+][C@H]1c1ccccc1 ZINC000022441173 182321387 /nfs/dbraw/zinc/32/13/87/182321387.db2.gz NDMOYPJHBNNRIM-ZFMNYDKASA-N 1 0 322.452 3.667 1 0 DHAFRO CC[N@@H+]1CCC[C@@H]1CN(C)CCc1ccc(Cl)c(Cl)c1 ZINC000022448608 182321715 /nfs/dbraw/zinc/32/17/15/182321715.db2.gz PRSIMIPYQSHJOR-CQSZACIVSA-N 1 0 315.288 3.952 1 0 DHAFRO C[N@H+](CCc1ccc(Cl)c(Cl)c1)[C@H]1CN2CCC1CC2 ZINC000022940727 182343621 /nfs/dbraw/zinc/34/36/21/182343621.db2.gz JRFSCZSOPXNVMS-INIZCTEOSA-N 1 0 313.272 3.562 1 0 DHAFRO c1ccc(CN2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000022933149 182342107 /nfs/dbraw/zinc/34/21/07/182342107.db2.gz XBTOAGKXNKAIIR-FQEVSTJZSA-N 1 0 320.480 3.609 1 0 DHAFRO C[NH2+]CCCN1c2ccccc2N2CCc3cccc(c32)[C@H]1C ZINC000028770686 182538724 /nfs/dbraw/zinc/53/87/24/182538724.db2.gz YJPDALAYQQDOTL-OAHLLOKOSA-N 1 0 307.441 3.871 1 0 DHAFRO Cc1ccc(-c2nc(C3CCCC3)nc3c2CC[NH2+]CC3)cc1 ZINC000029126731 182552532 /nfs/dbraw/zinc/55/25/32/182552532.db2.gz DLYKTYPCAAZRLI-UHFFFAOYSA-N 1 0 307.441 3.798 1 0 DHAFRO O=C(c1ccc(Cl)c(Cl)c1)[C@@H]1C[NH+]=C2C=CC=CN2C1 ZINC000043023293 183330610 /nfs/dbraw/zinc/33/06/10/183330610.db2.gz ULPDWJOXHYHSMU-LLVKDONJSA-N 1 0 307.180 3.590 1 0 DHAFRO C[N@@H+]1CC[C@@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000061925581 184195908 /nfs/dbraw/zinc/19/59/08/184195908.db2.gz MGGZZSBYQAKGNA-LJQANCHMSA-N 1 0 310.397 3.759 3 0 DHAFRO CC[C@@H](Nc1nc(CC[NH3+])nc2ccccc21)c1cccs1 ZINC000065382184 184332584 /nfs/dbraw/zinc/33/25/84/184332584.db2.gz VRCHWCBACZEGQD-CYBMUJFWSA-N 1 0 312.442 3.756 1 0 DHAFRO c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4n[nH]cc4c3)C2)cs1 ZINC000028640644 581092356 /nfs/dbraw/zinc/09/23/56/581092356.db2.gz MBEYXNMHPBPYSU-MRXNPFEDSA-N 1 0 312.442 3.701 1 0 DHAFRO O=C(NCCC[NH2+]Cc1cccc(Cl)c1)Nc1ccccc1 ZINC000095573229 185380605 /nfs/dbraw/zinc/38/06/05/185380605.db2.gz OAIDCUPNNUEKBZ-UHFFFAOYSA-N 1 0 317.820 3.641 1 0 DHAFRO c1ccc(COc2cncc(C3=C[C@@H]4C[NH2+]C[C@H](C3)C4)c2)cc1 ZINC000095577079 185380648 /nfs/dbraw/zinc/38/06/48/185380648.db2.gz YCKUJRLTYLJWTR-SJORKVTESA-N 1 0 306.409 3.673 1 0 DHAFRO NC(=[NH2+])N1[C@@H](Cc2ccccc2)CC[C@@H]1CCc1ccccc1 ZINC000103262171 185442261 /nfs/dbraw/zinc/44/22/61/185442261.db2.gz SLOJLUSIQRZFIW-RBUKOAKNSA-N 1 0 307.441 3.588 1 0 DHAFRO CC(C)[C@H](c1nnnn1C1CCCC1)[N@H+](C)C1CCCCC1 ZINC000004190516 181083996 /nfs/dbraw/zinc/08/39/96/181083996.db2.gz VZBFECGBKIHSLU-MRXNPFEDSA-N 1 0 305.470 3.750 3 0 DHAFRO CCC[N@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@@H](c2ccccc2)C1 ZINC000006380288 181335824 /nfs/dbraw/zinc/33/58/24/181335824.db2.gz KNWKLRLXJUXIEP-QGZVFWFLSA-N 1 0 307.397 3.557 1 0 DHAFRO CN1CC[N@H+](C)[C@@H](c2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC000022941785 182343701 /nfs/dbraw/zinc/34/37/01/182343701.db2.gz SLAYQEHIFVRKNL-GOSISDBHSA-N 1 0 305.425 3.753 1 0 DHAFRO c1ccc(CN2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000022933146 182342562 /nfs/dbraw/zinc/34/25/62/182342562.db2.gz XBTOAGKXNKAIIR-HXUWFJFHSA-N 1 0 320.480 3.609 1 0 DHAFRO CC(C)C[C@@H]1CN2C(=[NH+]C[C@@H]2C)N1CC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000027207041 182465445 /nfs/dbraw/zinc/46/54/45/182465445.db2.gz WJBJHKCUJQTUNX-IECFSIQFSA-N 1 0 303.494 3.603 1 0 DHAFRO C[NH+]1CCC2(CC1)NCc1cc(C(C)(C)C)cc(Cl)c1O2 ZINC000027654797 182486068 /nfs/dbraw/zinc/48/60/68/182486068.db2.gz RBUGWZBSEOLLLR-UHFFFAOYSA-N 1 0 308.853 3.541 1 0 DHAFRO C[N@H+](CCCCn1c2ccccc2oc1=O)Cc1ccccc1 ZINC000043078634 183334954 /nfs/dbraw/zinc/33/49/54/183334954.db2.gz JDXSRQPAGOUKHA-UHFFFAOYSA-N 1 0 310.397 3.507 1 0 DHAFRO CCCNC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000061930951 184196305 /nfs/dbraw/zinc/19/63/05/184196305.db2.gz CJOLBZMODWQBEE-NRFANRHFSA-N 1 0 324.468 3.968 3 0 DHAFRO CSc1ccccc1CNC(=O)[C@]1(C)CCC[N@@H+]1CC(C)C ZINC000061929804 184196403 /nfs/dbraw/zinc/19/64/03/184196403.db2.gz ISPWZSXFLJHLIY-SFHVURJKSA-N 1 0 320.502 3.535 3 0 DHAFRO NNc1[nH+]cnc2c1cc(-c1ccc(F)cc1)n2-c1ccccc1 ZINC000064454088 184297747 /nfs/dbraw/zinc/29/77/47/184297747.db2.gz ZLOVPWKXBSKSQC-UHFFFAOYSA-N 1 0 319.343 3.512 1 0 DHAFRO c1cc(Nc2ccc3c(c2)CCC3)nc(Nc2cc[nH+]cc2)n1 ZINC000064510377 184298567 /nfs/dbraw/zinc/29/85/67/184298567.db2.gz FSIWNVBLSPDROY-UHFFFAOYSA-N 1 0 303.369 3.848 1 0 DHAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2oc3ccccc3c21 ZINC000003109234 581093501 /nfs/dbraw/zinc/09/35/01/581093501.db2.gz HGDYQUMVUUMEFM-CYBMUJFWSA-N 1 0 313.397 3.714 1 0 in-vivo DHAFRO O=c1cc(-c2ccccc2)c2ccccc2n1C[C@H]1CCC[NH2+]C1 ZINC000095587434 185381547 /nfs/dbraw/zinc/38/15/47/185381547.db2.gz UNHPJHBWQMDGOZ-INIZCTEOSA-N 1 0 318.420 3.668 1 0 DHAFRO Fc1ccc2c(c1)c1c(n2CCCOc2ccccc2)CC[NH2+]C1 ZINC000169350516 197745553 /nfs/dbraw/zinc/74/55/53/197745553.db2.gz BSNCLMFZOHPQON-UHFFFAOYSA-N 1 0 324.399 3.895 1 0 DHAFRO CN(C)CC[N@@H+]1CC[C@H]2c3ccccc3[C@H](c3ccccc3)[C@H]2C1 ZINC000150190204 186055361 /nfs/dbraw/zinc/05/53/61/186055361.db2.gz UTRAJSIWKIUCHO-BVSLBCMMSA-N 1 0 320.480 3.799 1 0 DHAFRO C[n+]1ccc(/C=C/c2c[nH]c3ccc(Br)cc23)cc1 ZINC000000268502 180743062 /nfs/dbraw/zinc/74/30/62/180743062.db2.gz OMKSALQWENVUHQ-UHFFFAOYSA-O 1 0 314.206 3.925 1 0 DHAFRO C[NH+](C)Cc1ccccc1-c1cncnc1NCc1cccs1 ZINC000004267532 181090342 /nfs/dbraw/zinc/09/03/42/181090342.db2.gz INDKXCQOAXSLEC-UHFFFAOYSA-N 1 0 324.453 3.879 1 0 DHAFRO CCC(=CC[N@@H+]1Cc2cc(C)cc3[nH]c(=O)n(c32)C[C@@H]1C)CC ZINC000005964747 181301640 /nfs/dbraw/zinc/30/16/40/181301640.db2.gz FRQXZJLDAFHXAZ-AWEZNQCLSA-N 1 0 313.445 3.589 1 0 DHAFRO C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000022930211 182342204 /nfs/dbraw/zinc/34/22/04/182342204.db2.gz UDPONPQEXNUGCI-KDURUIRLSA-N 1 0 323.484 3.897 1 0 DHAFRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(C(=O)N2CCCC2)s1 ZINC000023479080 182361298 /nfs/dbraw/zinc/36/12/98/182361298.db2.gz WDELSTYPHASMKA-AWEZNQCLSA-N 1 0 306.475 3.777 1 0 DHAFRO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1[C@@H]1CCCCC[C@H]21 ZINC000027885559 182495874 /nfs/dbraw/zinc/49/58/74/182495874.db2.gz HHSDESNWIBBAOF-OWCLPIDISA-N 1 0 303.446 3.569 1 0 DHAFRO CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1[NH3+] ZINC000028243004 182515611 /nfs/dbraw/zinc/51/56/11/182515611.db2.gz QEASCXZVUQIDDJ-QWHCGFSZSA-N 1 0 301.217 3.616 1 0 DHAFRO C[NH2+]C[C@@H](O)[C@H](c1ccccc1)N(C)c1cccc2ccccc21 ZINC000040379153 183058046 /nfs/dbraw/zinc/05/80/46/183058046.db2.gz RLUHSIYRINOGAT-RTWAWAEBSA-N 1 0 320.436 3.598 1 0 DHAFRO C[NH+](C)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000040915828 183148062 /nfs/dbraw/zinc/14/80/62/183148062.db2.gz HURMPVDUKQTUQF-UHFFFAOYSA-N 1 0 312.413 3.546 1 0 DHAFRO C[NH2+][C@@H](CC1CCCCC1)C(=O)Nc1ccc2cnccc2c1 ZINC000059241034 184135787 /nfs/dbraw/zinc/13/57/87/184135787.db2.gz LTUVKSFVINYKHZ-SFHVURJKSA-N 1 0 311.429 3.732 1 0 investigational DHAFRO CSc1ccc(CNC(=O)[C@@]2(C)CCC[N@@H+]2CC(C)C)cc1 ZINC000061906912 184194698 /nfs/dbraw/zinc/19/46/98/184194698.db2.gz WVSLIJKWOOJOSZ-GOSISDBHSA-N 1 0 320.502 3.535 3 0 DHAFRO CC(C)(C)CC[C@@]1(C(=O)c2ccc(N)c(Cl)c2)CC[NH2+]C1 ZINC000062225311 184224022 /nfs/dbraw/zinc/22/40/22/184224022.db2.gz APFRQKRCPYHTLD-QGZVFWFLSA-N 1 0 308.853 3.911 1 0 DHAFRO Cc1cccc(F)c1Oc1cccc(F)c1O[C@H]1CC[NH2+]C1 ZINC000066112227 184390473 /nfs/dbraw/zinc/39/04/73/184390473.db2.gz KUTIVIKNDVNVAL-LBPRGKRZSA-N 1 0 305.324 3.806 1 0 DHAFRO O=[N+]1C(c2ccc(-c3ccccc3)cc2)=CN(O)[C@@H]2CCCC[C@@H]21 ZINC000013616196 568412535 /nfs/dbraw/zinc/41/25/35/568412535.db2.gz DXCXLALNKIKFIS-MOPGFXCFSA-N 1 0 320.392 3.559 1 0 DHAFRO c1cc(C[N@@H+]2CCC[C@H](Nc3ccc4n[nH]cc4c3)C2)cs1 ZINC000028640647 581092308 /nfs/dbraw/zinc/09/23/08/581092308.db2.gz MBEYXNMHPBPYSU-INIZCTEOSA-N 1 0 312.442 3.701 1 0 DHAFRO C[C@]1(c2ccccc2)OCC[C@H](CC[NH2+]Cc2ccccc2)O1 ZINC000095556679 185379750 /nfs/dbraw/zinc/37/97/50/185379750.db2.gz ODACQMXVCPUACY-PMACEKPBSA-N 1 0 311.425 3.845 1 0 DHAFRO Cc1cc(C)c2c(N)c3c([nH+]c2c1)N(Cc1ccccc1)CC3 ZINC000095614367 185382542 /nfs/dbraw/zinc/38/25/42/185382542.db2.gz QXMWWMGJOMIBNM-UHFFFAOYSA-N 1 0 303.409 3.997 1 0 DHAFRO CCOC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914796 185391195 /nfs/dbraw/zinc/39/11/95/185391195.db2.gz KSKISTNMMFXTLV-CQSZACIVSA-N 1 0 316.228 3.640 1 0 DHAFRO O[C@H](C[C@H]1CCCC[NH2+]1)c1ccnc2c1cccc2C(F)(F)F ZINC000169334883 197742732 /nfs/dbraw/zinc/74/27/32/197742732.db2.gz LANOYRCRNIEZRU-IAQYHMDHSA-N 1 0 324.346 3.819 1 0 DHAFRO CCN(CC[NH+](CC)CC)Cc1coc(-c2cccs2)n1 ZINC000072103669 191036425 /nfs/dbraw/zinc/03/64/25/191036425.db2.gz JLNFQABAGVRXAS-UHFFFAOYSA-N 1 0 307.463 3.567 1 0 DHAFRO [NH3+]CCc1cn(Cc2coc(-c3cccs3)n2)c2ccccc12 ZINC000072101680 191036524 /nfs/dbraw/zinc/03/65/24/191036524.db2.gz AMQZVLVBTDDRKK-UHFFFAOYSA-N 1 0 323.421 3.907 1 0 DHAFRO Oc1ccc(C[NH2+]CCCNc2nc3ccccc3s2)cc1 ZINC000084634488 192449391 /nfs/dbraw/zinc/44/93/91/192449391.db2.gz XNVFBSDQDVZLKY-UHFFFAOYSA-N 1 0 313.426 3.594 1 0 DHAFRO CC(C)C[NH2+][C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072184515 191072036 /nfs/dbraw/zinc/07/20/36/191072036.db2.gz DAZUVWQYSREBBL-OAHLLOKOSA-N 1 0 309.335 3.830 1 0 DHAFRO COCC[N@H+](Cc1coc(-c2cccc(C)c2)n1)C(C)(C)C ZINC000072183510 191072774 /nfs/dbraw/zinc/07/27/74/191072774.db2.gz KZCFHKSCUJGERF-UHFFFAOYSA-N 1 0 302.418 3.897 1 0 DHAFRO CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)C[NH3+] ZINC000002006357 180905413 /nfs/dbraw/zinc/90/54/13/180905413.db2.gz LYBJBWHVNPHBMH-OXQOHEQNSA-N 1 0 311.425 3.673 1 0 DHAFRO Fc1ccc(Cn2c3ccccc3nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000073222892 191294627 /nfs/dbraw/zinc/29/46/27/191294627.db2.gz VIEHHRQCEMIKCL-OAHLLOKOSA-N 1 0 309.388 3.691 1 0 DHAFRO C[NH+](C)Cc1ccccc1-c1cc(NCc2ccccc2)ncn1 ZINC000004265494 181089925 /nfs/dbraw/zinc/08/99/25/181089925.db2.gz LIECTPSFCGONBE-UHFFFAOYSA-N 1 0 318.424 3.817 1 0 DHAFRO CN(C)c1ccc([C@H]2c3cc(O)ccc3[C@H]3[NH2+]CCC[C@H]32)cc1 ZINC000005318140 181228746 /nfs/dbraw/zinc/22/87/46/181228746.db2.gz QEQTUJBNOVLWJM-DFQSSKMNSA-N 1 0 308.425 3.644 1 0 DHAFRO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNc1cc[nH+]cc1)O2 ZINC000013651343 181873875 /nfs/dbraw/zinc/87/38/75/181873875.db2.gz MUBFRCIIZQBVMC-LJQANCHMSA-N 1 0 312.413 3.908 1 0 DHAFRO CC(C)[NH2+]C1CN(C2c3ccccc3CCc3ccccc32)C1 ZINC000019368319 182120088 /nfs/dbraw/zinc/12/00/88/182120088.db2.gz ABXMUFLPXDGUSF-UHFFFAOYSA-N 1 0 306.453 3.557 1 0 DHAFRO O=C(N[C@H]1CCCC[NH2+]1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000026381368 182439050 /nfs/dbraw/zinc/43/90/50/182439050.db2.gz IAIMPMXPYTZESB-ROUUACIJSA-N 1 0 300.446 3.566 1 0 DHAFRO COc1ccc([C@H]2Cc3ccccc3[NH+]=C(C)N2C)cc1OC ZINC000100891153 193805378 /nfs/dbraw/zinc/80/53/78/193805378.db2.gz UUHIRELCTVZCJR-QGZVFWFLSA-N 1 0 310.397 3.983 1 0 DHAFRO COc1cccc2c1OCC[C@@H]2C[NH2+]CCCc1ccccc1 ZINC000036248126 182810528 /nfs/dbraw/zinc/81/05/28/182810528.db2.gz BMTDXVFJZOZCGC-QGZVFWFLSA-N 1 0 311.425 3.784 1 0 DHAFRO O=C(Nc1ccccc1O)c1ccc(CNc2cc[nH+]cc2)cc1 ZINC000040404854 183062253 /nfs/dbraw/zinc/06/22/53/183062253.db2.gz WHZJZWJIYKIART-UHFFFAOYSA-N 1 0 319.364 3.652 1 0 DHAFRO Cc1ccc2snc(NC(=O)[C@@H](C)[NH2+]C3CCCCC3)c2c1 ZINC000040977244 183154378 /nfs/dbraw/zinc/15/43/78/183154378.db2.gz ILCFOPIURCNHCV-GFCCVEGCSA-N 1 0 317.458 3.854 1 0 DHAFRO Clc1ccccc1O[C@@H](c1cccnc1)C1CC[NH2+]CC1 ZINC000043060199 183332651 /nfs/dbraw/zinc/33/26/51/183332651.db2.gz RFKSUPOWTRFCKG-QGZVFWFLSA-N 1 0 302.805 3.855 1 0 DHAFRO c1ccc2[nH]c(-c3ccccc3OCC[NH+]3CCCC3)nc2c1 ZINC000043063874 183333694 /nfs/dbraw/zinc/33/36/94/183333694.db2.gz QTPUSAHGTJPLPS-UHFFFAOYSA-N 1 0 307.397 3.705 1 0 DHAFRO Fc1ccccc1Oc1cccc(F)c1O[C@H]1CCC[NH2+]C1 ZINC000066112445 184390488 /nfs/dbraw/zinc/39/04/88/184390488.db2.gz YYTDEVINWTYBOD-LBPRGKRZSA-N 1 0 305.324 3.888 1 0 DHAFRO C[C@@]1(c2ccccc2)OCC[C@@H](CC[NH2+]Cc2ccccc2)O1 ZINC000095555938 185379662 /nfs/dbraw/zinc/37/96/62/185379662.db2.gz ODACQMXVCPUACY-WOJBJXKFSA-N 1 0 311.425 3.845 1 0 DHAFRO CCOC[C@]12C[C@@]1(c1ccc(Cl)c(Cl)c1)CC[NH2+]C2 ZINC000096901214 185390508 /nfs/dbraw/zinc/39/05/08/185390508.db2.gz PWRNDGOMCQHVRL-HUUCEWRRSA-N 1 0 300.229 3.651 1 0 DHAFRO COC[C@]12C[C@@]1(c1ccc(Cl)c(C(F)(F)F)c1)CC[NH2+]C2 ZINC000096900898 185390536 /nfs/dbraw/zinc/39/05/36/185390536.db2.gz LSPLQALBHLTUIH-ZIAGYGMSSA-N 1 0 319.754 3.626 1 0 DHAFRO COc1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3c[nH+]2)cc1 ZINC000103250520 185440585 /nfs/dbraw/zinc/44/05/85/185440585.db2.gz SXJKXTZFHYHUNX-UHFFFAOYSA-N 1 0 305.341 3.705 1 0 DHAFRO COc1ccc2cc[n+](CCc3ccc(F)cc3)cc2c1OC ZINC000072105256 191037005 /nfs/dbraw/zinc/03/70/05/191037005.db2.gz XWGARDPTWOZBFJ-UHFFFAOYSA-N 1 0 312.364 3.526 1 0 DHAFRO CC[NH+]1CCC(COc2nc3ccsc3n3cccc23)CC1 ZINC000000026795 180671009 /nfs/dbraw/zinc/67/10/09/180671009.db2.gz RZFPSYUVZCCIFI-UHFFFAOYSA-N 1 0 315.442 3.660 1 0 DHAFRO C[NH+](C)C[C@]1(Cc2ccccc2)CC[C@H](Cc2ccccc2)C1=O ZINC000001625974 180881038 /nfs/dbraw/zinc/88/10/38/180881038.db2.gz NVUZYMYMQSYKHA-IFMALSPDSA-N 1 0 321.464 3.999 1 0 DHAFRO Fc1ccc(-c2nc([C@@H]3CCC[NH2+]C3)[nH]c2-c2ccncc2)cc1 ZINC000004617902 181129730 /nfs/dbraw/zinc/12/97/30/181129730.db2.gz KLRATASOGXHMKV-OAHLLOKOSA-N 1 0 322.387 3.745 1 0 DHAFRO COc1ccc(OC)c(/C=C/c2c3ccccc3cc[n+]2C)c1 ZINC000017046601 182071048 /nfs/dbraw/zinc/07/10/48/182071048.db2.gz VWWJBQCBLAUJKG-CSKARUKUSA-N 1 0 306.385 3.852 1 0 DHAFRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000026494112 182443495 /nfs/dbraw/zinc/44/34/95/182443495.db2.gz XLROZSJFOXIJEV-SNXNFCLHSA-N 1 0 309.457 3.625 1 0 DHAFRO C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000027518523 182474364 /nfs/dbraw/zinc/47/43/64/182474364.db2.gz UDPONPQEXNUGCI-OALUTQOASA-N 1 0 323.484 3.897 1 0 DHAFRO CO[C@H]1Cc2sccc2C2(CC[NH+](CCC(C)C)CC2)O1 ZINC000040828420 183138461 /nfs/dbraw/zinc/13/84/61/183138461.db2.gz HVNLHKYTEKRJPK-MRXNPFEDSA-N 1 0 309.475 3.631 1 0 DHAFRO CC(C)CN(C(=O)c1ccccc1-c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000043009249 183326653 /nfs/dbraw/zinc/32/66/53/183326653.db2.gz YZKDZSSMZPGBAY-SFHVURJKSA-N 1 0 322.452 3.814 1 0 DHAFRO COc1ccc2cc(C3C(=O)c4ccccc4[N+]3=O)ccc2c1 ZINC000059181424 184135428 /nfs/dbraw/zinc/13/54/28/184135428.db2.gz PSUPOVNNVAJHAT-UHFFFAOYSA-N 1 0 303.317 3.676 1 0 DHAFRO CC(C)[N@@H+]1CC[C@](C)(C(=O)Nc2ccc(-n3cccc3)cc2)C1 ZINC000061927142 184196175 /nfs/dbraw/zinc/19/61/75/184196175.db2.gz MSLYGGXDGFQKMO-IBGZPJMESA-N 1 0 311.429 3.536 3 0 DHAFRO Cc1ccccc1-c1cccc([C@@H]2C[C@H]3[C@H](CON3C)C[N@@H+]2C)c1 ZINC000061942314 184197255 /nfs/dbraw/zinc/19/72/55/184197255.db2.gz ALGBRPBVRIIBPO-JBACZVJFSA-N 1 0 322.452 3.900 3 0 DHAFRO CCC[N@H+](C)CCC1=C(Cc2cnccn2)c2ccccc2C1 ZINC000066097646 184388609 /nfs/dbraw/zinc/38/86/09/184388609.db2.gz MSMKOTVNTGCTFQ-UHFFFAOYSA-N 1 0 307.441 3.761 1 0 DHAFRO COc1ccc(-c2csc(Nc3cc[nH+]cc3)n2)cc1OC ZINC000066099007 184389322 /nfs/dbraw/zinc/38/93/22/184389322.db2.gz IICOOWMZXGQILI-UHFFFAOYSA-N 1 0 313.382 3.966 1 0 DHAFRO Cc1ccc(Sc2cccc3[nH]c4nc(N)[nH+]c(N)c4c32)cc1 ZINC000049111358 581093202 /nfs/dbraw/zinc/09/32/02/581093202.db2.gz IMNBYLUXBBXZIY-UHFFFAOYSA-N 1 0 321.409 3.735 1 0 DHAFRO CCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000096927318 185392112 /nfs/dbraw/zinc/39/21/12/185392112.db2.gz HHKSHLVSGQWALT-CQSZACIVSA-N 1 0 314.351 3.908 1 0 DHAFRO O=C1C[C@H](c2ccccc2)CN1c1cccc(C2CC[NH2+]CC2)c1 ZINC000169347288 197744535 /nfs/dbraw/zinc/74/45/35/197744535.db2.gz KEKJDGMDLKNTRA-IBGZPJMESA-N 1 0 320.436 3.674 1 0 DHAFRO CC[NH+](CC)CCNC(=O)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000001846099 180898886 /nfs/dbraw/zinc/89/88/86/180898886.db2.gz GXLWOFJVIBEMCS-KRWDZBQOSA-N 1 0 324.468 3.915 1 0 in-man DHAFRO COc1ccc2c(c1)[C@H](c1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+][C@H]21 ZINC000002017653 180905914 /nfs/dbraw/zinc/90/59/14/180905914.db2.gz JVUDMSRLJGZBNB-CEWLAPEOSA-N 1 0 322.452 3.947 1 0 DHAFRO C[N@@H+]1CCc2cc(Cl)c3n[nH]cc3c2[C@@H](c2ccccc2)C1 ZINC000003820068 181047253 /nfs/dbraw/zinc/04/72/53/181047253.db2.gz LVAOPAQJSCZOOM-OAHLLOKOSA-N 1 0 311.816 3.836 1 0 DHAFRO Fc1ccc(-c2nc(C3CC[NH2+]CC3)[nH]c2-c2ccncc2)cc1 ZINC000003815689 181046778 /nfs/dbraw/zinc/04/67/78/181046778.db2.gz IXHWMGAFLNPNII-UHFFFAOYSA-N 1 0 322.387 3.745 1 0 DHAFRO O=C(C[NH2+]C1CCCC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000004896036 181169533 /nfs/dbraw/zinc/16/95/33/181169533.db2.gz HOUDRYSMHLHWLB-UHFFFAOYSA-N 1 0 315.461 3.538 3 0 DHAFRO CC(C)[C@@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@@H+]21 ZINC000019328393 182115593 /nfs/dbraw/zinc/11/55/93/182115593.db2.gz KAPLWYIKWWQMQW-RLLQIKCJSA-N 1 0 309.457 3.917 1 0 DHAFRO Clc1ccccc1C[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000036093214 182798494 /nfs/dbraw/zinc/79/84/94/182798494.db2.gz SDLVJPBOBLQFEW-SFHVURJKSA-N 1 0 300.833 3.529 1 0 in-vivo DHAFRO Cc1c(C2CC[NH2+]CC2)ccnc1OCc1ccc(F)cc1 ZINC000040915126 183147762 /nfs/dbraw/zinc/14/77/62/183147762.db2.gz DSOAUDYTYWXRGC-UHFFFAOYSA-N 1 0 300.377 3.575 1 0 DHAFRO CCn1c2cc[nH+]cc2c2cc(NC(=O)c3cccnc3)ccc21 ZINC000040878143 183145428 /nfs/dbraw/zinc/14/54/28/183145428.db2.gz LDQRRBGOACYFDM-UHFFFAOYSA-N 1 0 316.364 3.857 1 0 DHAFRO CCOc1ccccc1O[C@@H](c1cccnc1)C1CC[NH2+]CC1 ZINC000043013774 183327604 /nfs/dbraw/zinc/32/76/04/183327604.db2.gz XXHZUORXKGMGAL-LJQANCHMSA-N 1 0 312.413 3.600 1 0 DHAFRO Cc1ccc(NC(=O)[C@]2(C)CC[N@@H+]2C2Cc3ccccc3C2)cc1 ZINC000061906345 184194288 /nfs/dbraw/zinc/19/42/88/184194288.db2.gz RINDRUVVDTYUSK-NRFANRHFSA-N 1 0 320.436 3.565 3 0 DHAFRO [NH3+][C@@H](c1csc(Nc2ccccn2)n1)c1ccccc1Cl ZINC000061930350 184196150 /nfs/dbraw/zinc/19/61/50/184196150.db2.gz KBSCDZWOAJPMAG-CQSZACIVSA-N 1 0 316.817 3.983 3 0 DHAFRO CN1OC[C@@H]2C[N@H+](C)[C@H](c3cccc(-c4ccccc4)c3)C[C@@H]21 ZINC000061942315 184197356 /nfs/dbraw/zinc/19/73/56/184197356.db2.gz TYNUKMPAFBZMDY-UFYCRDLUSA-N 1 0 308.425 3.592 3 0 DHAFRO CC(C)[N@@H+]1CC[C@@](C)(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000061895487 184193094 /nfs/dbraw/zinc/19/30/94/184193094.db2.gz BZOJMUOFUJTYSC-LJQANCHMSA-N 1 0 300.446 3.624 3 0 DHAFRO CCCc1ccnc2c(N[C@H](C)CCC[NH3+])cc(OC)cc12 ZINC000169328122 197742236 /nfs/dbraw/zinc/74/22/36/197742236.db2.gz JKMHJJNCWQZEHJ-CYBMUJFWSA-N 1 0 301.434 3.735 1 0 DHAFRO COc1cc2cc[n+](CCc3ccccc3F)cc2cc1OC ZINC000072105209 191036840 /nfs/dbraw/zinc/03/68/40/191036840.db2.gz XBFSCWBVOHNYJM-UHFFFAOYSA-N 1 0 312.364 3.526 1 0 DHAFRO CC[NH+](CC)CCCNc1cc(OC)cc2c(C)ccnc12 ZINC000084741874 192464878 /nfs/dbraw/zinc/46/48/78/192464878.db2.gz LCIDLIFPQAVFGV-UHFFFAOYSA-N 1 0 301.434 3.696 1 0 DHAFRO CC[C@@H](O)C(c1ccccc1)(c1ccccc1)[C@H](C)C[NH+](C)C ZINC000001707697 180890082 /nfs/dbraw/zinc/89/00/82/180890082.db2.gz UKKMLFPHCPRNJI-YLJYHZDGSA-N 1 0 311.469 3.941 1 0 DHAFRO CC[NH+](CC)CCNC(=O)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000001846100 180898329 /nfs/dbraw/zinc/89/83/29/180898329.db2.gz GXLWOFJVIBEMCS-QGZVFWFLSA-N 1 0 324.468 3.915 1 0 in-man DHAFRO C[NH+](C)CC[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1 ZINC000013436830 181849801 /nfs/dbraw/zinc/84/98/01/181849801.db2.gz SWGWJQBPCJEQJC-YLJYHZDGSA-N 1 0 308.425 3.794 1 0 DHAFRO C[NH+](C)CCCN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1 ZINC000013553536 181861354 /nfs/dbraw/zinc/86/13/54/181861354.db2.gz TYIGFJPVNTTYAS-SFHVURJKSA-N 1 0 309.413 3.575 1 0 DHAFRO c1ccc(C(CNC2=[NH+][C@H]3CCCC[C@@H]3N2)c2ccccc2)cc1 ZINC000013889984 181908564 /nfs/dbraw/zinc/90/85/64/181908564.db2.gz QUFOMZPBQCVTIG-PMACEKPBSA-N 1 0 319.452 3.679 1 0 DHAFRO Fc1cccc(-c2noc3c2C[N@@H+](C2CCSCC2)CC3)c1 ZINC000019794792 182149767 /nfs/dbraw/zinc/14/97/67/182149767.db2.gz AVHNPTJKWSRFRI-UHFFFAOYSA-N 1 0 318.417 3.734 1 0 DHAFRO CCCOc1c(OC)cc(N[C@@H](C)CCC[NH3+])c2ncccc21 ZINC000028221382 182512076 /nfs/dbraw/zinc/51/20/76/182512076.db2.gz ZJXPDLIJPCHKSA-ZDUSSCGKSA-N 1 0 317.433 3.572 1 0 DHAFRO Cc1c(C2CC[NH2+]CC2)ccnc1OCc1ccc(F)cc1F ZINC000040915128 183148112 /nfs/dbraw/zinc/14/81/12/183148112.db2.gz KKDRVWLFKGXUMG-UHFFFAOYSA-N 1 0 318.367 3.714 1 0 DHAFRO CCCCCCOc1ccc(C(=O)CC[NH+](C)C)c(OC)c1 ZINC000043066226 183333946 /nfs/dbraw/zinc/33/39/46/183333946.db2.gz DFSUFPSHAGYTDU-UHFFFAOYSA-N 1 0 307.434 3.789 1 0 DHAFRO O=C(c1cc2cc[nH]c2c(F)c1)[C@@]1(Cc2ccccc2)CC[NH2+]C1 ZINC000058581764 184123592 /nfs/dbraw/zinc/12/35/92/184123592.db2.gz ZOOYCXCRVKSAIY-HXUWFJFHSA-N 1 0 322.383 3.712 1 0 DHAFRO Cc1ccc(NC(=O)[C@@]2(C)CC[N@@H+]2CCc2ccccc2)cc1 ZINC000061896457 184193215 /nfs/dbraw/zinc/19/32/15/184193215.db2.gz LZTGSRKYTSOSAV-HXUWFJFHSA-N 1 0 308.425 3.641 3 0 DHAFRO Fc1ccc(-c2csc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1F ZINC000102662756 526314848 /nfs/dbraw/zinc/31/48/48/526314848.db2.gz DHGHGALHAUPQNL-IAQYHMDHSA-N 1 0 322.380 3.624 1 0 DHAFRO C[NH+]1CCC(NC(=O)N2c3ccccc3Oc3ccccc32)CC1 ZINC000095572216 185380382 /nfs/dbraw/zinc/38/03/82/185380382.db2.gz HVOXEQDYNHMCDT-UHFFFAOYSA-N 1 0 323.396 3.734 1 0 DHAFRO C[N@@H+]1CC[C@H]2CCC[C@@H](OC(=O)c3ccc(Cl)cc3)[C@H]2C1 ZINC000169341326 197744665 /nfs/dbraw/zinc/74/46/65/197744665.db2.gz BMEIDCBHFLHKTO-UHOFOFEASA-N 1 0 307.821 3.617 1 0 DHAFRO COc1cccc(-c2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)co2)c1 ZINC000072100838 191037017 /nfs/dbraw/zinc/03/70/17/191037017.db2.gz RBIJPYOAZZHNSJ-OKILXGFUSA-N 1 0 300.402 3.828 1 0 DHAFRO CC(C)C[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072184514 191072633 /nfs/dbraw/zinc/07/26/33/191072633.db2.gz DAZUVWQYSREBBL-HNNXBMFYSA-N 1 0 309.335 3.830 1 0 DHAFRO CCCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)[N@@H+]3C)cc1 ZINC000073198265 191291346 /nfs/dbraw/zinc/29/13/46/191291346.db2.gz WYYNFHYJIMPILR-MANSERQUSA-N 1 0 315.457 3.769 1 0 DHAFRO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Oc1ccccc1)C2 ZINC000003955996 181058669 /nfs/dbraw/zinc/05/86/69/181058669.db2.gz LTOQTEBXLPGSNJ-IBGZPJMESA-N 1 0 316.445 3.629 1 0 DHAFRO Fc1ccc2c(c1)[nH]c(-c1ccoc1)c2[C@@H]1C[NH2+]CC[C@H]1F ZINC000003981537 181059871 /nfs/dbraw/zinc/05/98/71/181059871.db2.gz YJLRKPZNGHUDFO-ZIAGYGMSSA-N 1 0 302.324 3.982 1 0 DHAFRO C[NH+](C)Cc1ccccc1-c1ccc2ncnc(NC3CC3)c2c1 ZINC000004267284 181090048 /nfs/dbraw/zinc/09/00/48/181090048.db2.gz PXLBRCPUPPMGEY-UHFFFAOYSA-N 1 0 318.424 3.933 1 0 DHAFRO CC(C)=CCN1CCn2c(=O)[nH]c3cc(Cl)cc(c32)[C@H]1C ZINC000006490980 181345067 /nfs/dbraw/zinc/34/50/67/181345067.db2.gz VRXARPJNPFOGAW-LLVKDONJSA-N 1 0 305.809 3.738 1 0 DHAFRO CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@@H]([NH3+])c1ccccc1 ZINC000013760492 181891529 /nfs/dbraw/zinc/89/15/29/181891529.db2.gz KOSGEDAJBHAPOI-IRFCIJBXSA-N 1 0 322.452 3.513 1 0 DHAFRO CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@H]([NH3+])c1ccccc1 ZINC000027549140 182476578 /nfs/dbraw/zinc/47/65/78/182476578.db2.gz KOSGEDAJBHAPOI-QKNQBKEWSA-N 1 0 322.452 3.513 1 0 DHAFRO C[NH2+]CC[C@H](c1ccccc1)N1c2ccccc2C(C)(C)C1=O ZINC000034986255 182745761 /nfs/dbraw/zinc/74/57/61/182745761.db2.gz SQCPLVXIAQOQFF-QGZVFWFLSA-N 1 0 308.425 3.662 1 0 DHAFRO C[C@@H]([NH2+]C1CCCCC1)C(=O)Nc1nsc2ccccc21 ZINC000040405074 183062486 /nfs/dbraw/zinc/06/24/86/183062486.db2.gz UKEINSQNPPOCRC-LLVKDONJSA-N 1 0 303.431 3.546 1 0 DHAFRO CCCOc1cccc2c1-c1cc(O)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000040934132 183149413 /nfs/dbraw/zinc/14/94/13/183149413.db2.gz JQZDCSZYILWJAG-QGZVFWFLSA-N 1 0 309.409 3.933 1 0 DHAFRO Cc1c(C2CC[NH2+]CC2)ccnc1OCc1cccc(F)c1 ZINC000040938395 183149615 /nfs/dbraw/zinc/14/96/15/183149615.db2.gz ITLDPPKHTIWSPM-UHFFFAOYSA-N 1 0 300.377 3.575 1 0 DHAFRO CCCCCCOc1ccc2c(c1)CC[C@@H](C[NH+](C)C)C2=O ZINC000043060664 183332520 /nfs/dbraw/zinc/33/25/20/183332520.db2.gz MXQBWNIPLBKLFS-INIZCTEOSA-N 1 0 303.446 3.952 1 0 DHAFRO CSc1ccc(O[C@@H](c2cccnc2)C2CC[NH2+]CC2)cc1 ZINC000043121721 183339286 /nfs/dbraw/zinc/33/92/86/183339286.db2.gz UPHOWEAWENOKEG-GOSISDBHSA-N 1 0 314.454 3.923 1 0 DHAFRO C[NH+]1CCC2(CC1)c1ccccc1Oc1ccc(F)cc1C2=O ZINC000060051738 184143154 /nfs/dbraw/zinc/14/31/54/184143154.db2.gz ZHYPOODMAXSAGM-UHFFFAOYSA-N 1 0 311.356 3.778 1 0 DHAFRO Cc1nc2cc(NC(=O)[C@]3(C)CCC[N@@H+](C(C)C)C3)ccc2o1 ZINC000061906955 184194794 /nfs/dbraw/zinc/19/47/94/184194794.db2.gz SGWBJSYGLRWJNH-GOSISDBHSA-N 1 0 315.417 3.585 3 0 DHAFRO CC(C)[C@H]([NH3+])c1csc(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000061929118 184196366 /nfs/dbraw/zinc/19/63/66/184196366.db2.gz ITRXDIKPGHWWJZ-NSHDSACASA-N 1 0 316.352 3.956 3 0 DHAFRO OC[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000064491761 184298745 /nfs/dbraw/zinc/29/87/45/184298745.db2.gz BWPOQJVXDJYEQS-NHCUHLMSSA-N 1 0 309.453 3.860 1 0 in-vivo DHAFRO C[NH+](C)CCCNC(=O)N1c2ccccc2Oc2ccccc21 ZINC000095576830 185380691 /nfs/dbraw/zinc/38/06/91/185380691.db2.gz ZPYVOVMGXCNHGM-UHFFFAOYSA-N 1 0 311.385 3.592 1 0 DHAFRO Cc1ccccc1[C@]1([C@H](O)[C@H]2C[NH+]3CCC2CC3)C=CC=C[C@@H]1C ZINC000306121534 231081671 /nfs/dbraw/zinc/08/16/71/231081671.db2.gz HTPJXSWMZMSOOU-BZNRXQDOSA-N 1 0 323.480 3.698 2 0 DHAFRO COc1cccc(-c2cccc([C@@]3(C)CSCC(=[NH2+])N3)c2)c1 ZINC000096906022 185390812 /nfs/dbraw/zinc/39/08/12/185390812.db2.gz KTKIYDOZUNZLBC-GOSISDBHSA-N 1 0 312.438 3.681 1 0 DHAFRO C[NH+](C)C/C=C(/c1ccc([Si](C)(C)C)cc1)c1cccnc1 ZINC000169974796 197763925 /nfs/dbraw/zinc/76/39/25/197763925.db2.gz YNGDDYXCAGZASF-UNOMPAQXSA-N 1 0 310.517 3.620 1 0 DHAFRO Cc1cc(N)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2[nH+]1 ZINC000103236352 185440162 /nfs/dbraw/zinc/44/01/62/185440162.db2.gz PCHQUGVDOUEULT-UHFFFAOYSA-N 1 0 310.332 3.909 1 0 DHAFRO CC1=[NH+]c2ccc(Cl)cc2[C@H](c2ccccc2)N1CCO ZINC000072126082 191041663 /nfs/dbraw/zinc/04/16/63/191041663.db2.gz NCESCCJUVDLGLG-KRWDZBQOSA-N 1 0 300.789 3.787 1 0 DHAFRO c1[nH]c2cccc3c2c1C[C@H]1C[N@H+](CC2CCCCC2)CCN31 ZINC000072315819 191120401 /nfs/dbraw/zinc/12/04/01/191120401.db2.gz FKYWQYRHUAFYJR-KRWDZBQOSA-N 1 0 309.457 3.795 1 0 DHAFRO COc1cc(C)c2nc3n[nH]c(C)c3c(C[NH+]3CCCCC3)c2c1 ZINC000073166967 191287743 /nfs/dbraw/zinc/28/77/43/191287743.db2.gz WAMKYHDYQFSSCL-UHFFFAOYSA-N 1 0 324.428 3.722 1 0 DHAFRO CC(C)C(=O)O[C@H]1CC[NH2+][C@H](/C=C/C=C/c2ccccc2)[C@H]1C ZINC000005752316 181280774 /nfs/dbraw/zinc/28/07/74/181280774.db2.gz SYBVJCIPFWBZSV-OPIIZPQLSA-N 1 0 313.441 3.822 1 0 in-vitro DHAFRO COCCSC[C@H]1C[N@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584838 181865505 /nfs/dbraw/zinc/86/55/05/181865505.db2.gz SMAZEWZYKHXETB-GDBMZVCRSA-N 1 0 313.894 3.755 1 0 DHAFRO CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000040408814 183062278 /nfs/dbraw/zinc/06/22/78/183062278.db2.gz USUPIRYFHGUVOR-IBGZPJMESA-N 1 0 322.452 3.700 1 0 DHAFRO CN1C(=O)[C@@H](C[NH+]2CCCCCC2)C[C@H]1c1ccccc1Cl ZINC000040423454 183065111 /nfs/dbraw/zinc/06/51/11/183065111.db2.gz ABSDZJZECNNANS-PBHICJAKSA-N 1 0 320.864 3.735 1 0 DHAFRO C[NH2+]C[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1Cl ZINC000040424413 183065272 /nfs/dbraw/zinc/06/52/72/183065272.db2.gz DZEOBMAMUUMJNJ-SJKOYZFVSA-N 1 0 303.789 3.688 1 0 DHAFRO O=C(c1ccc2[nH]ccc2c1)[C@@]1(Cc2ccccc2)CC[NH2+]C1 ZINC000058609203 184125217 /nfs/dbraw/zinc/12/52/17/184125217.db2.gz LWIZTBGDAFNFMW-HXUWFJFHSA-N 1 0 304.393 3.573 1 0 DHAFRO CCNC(=O)[C@@]1(C)CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000061928621 184196349 /nfs/dbraw/zinc/19/63/49/184196349.db2.gz WSFXBYHVQIHXEG-SFHVURJKSA-N 1 0 316.470 3.640 3 0 DHAFRO COC[C@]12C[C@@]1(c1ccc(C(F)(F)F)c(Cl)c1)CC[NH2+]C2 ZINC000096901220 185390393 /nfs/dbraw/zinc/39/03/93/185390393.db2.gz KXJGGCUESGCVLH-ZIAGYGMSSA-N 1 0 319.754 3.626 1 0 DHAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC2CCC2)[N@@H+]3C)cc1 ZINC000013740253 190638796 /nfs/dbraw/zinc/63/87/96/190638796.db2.gz LBLVIDUIWXYVNG-AITUJVMLSA-N 1 0 313.441 3.657 1 0 DHAFRO COCC[C@H]1[C@]2(C)C[NH2+]C[C@]12c1ccc(Cl)c(Cl)c1 ZINC000084632775 192448818 /nfs/dbraw/zinc/44/88/18/192448818.db2.gz CIVPMJLKYXGWQT-KKUMJFAQSA-N 1 0 300.229 3.507 1 0 DHAFRO C[C@H]1[C@H]([NH2+]Cc2coc(-c3ccc(O)cc3)n2)CCC[C@@H]1C ZINC000072183261 191072126 /nfs/dbraw/zinc/07/21/26/191072126.db2.gz GSXNBIHHVGTEKJ-OGHNNQOOSA-N 1 0 300.402 3.962 1 0 DHAFRO C[NH+](C)C[C@]1(Cc2ccccc2)CC[C@@H](Cc2ccccc2)C1=O ZINC000001625972 180880589 /nfs/dbraw/zinc/88/05/89/180880589.db2.gz NVUZYMYMQSYKHA-RBBKRZOGSA-N 1 0 321.464 3.999 1 0 DHAFRO CN(C)c1ccc([C@@H]2c3cc(O)ccc3[C@H]3[NH2+]CCC[C@@H]23)cc1 ZINC000002017652 180905998 /nfs/dbraw/zinc/90/59/98/180905998.db2.gz QEQTUJBNOVLWJM-YSIASYRMSA-N 1 0 308.425 3.644 1 0 DHAFRO O=C1c2ccccc2C[C@@H]1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013607229 181868082 /nfs/dbraw/zinc/86/80/82/181868082.db2.gz QTBRJSBDQGWTQD-HXUWFJFHSA-N 1 0 319.448 3.996 1 0 DHAFRO CC(C)(C)[NH2+]C1CN(C2c3ccccc3CCc3ccccc32)C1 ZINC000019368342 182120031 /nfs/dbraw/zinc/12/00/31/182120031.db2.gz NHCQXOSOLVNJNO-UHFFFAOYSA-N 1 0 320.480 3.947 1 0 DHAFRO COc1ccccc1C[NH2+][C@@H]1C2CCN(CC2)[C@H]1c1ccccc1 ZINC000022443816 182321360 /nfs/dbraw/zinc/32/13/60/182321360.db2.gz JUQHUETWINQXRD-RTWAWAEBSA-N 1 0 322.452 3.620 1 0 DHAFRO O=C(N[C@@H]1CCCC[NH2+]1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000026381364 182439169 /nfs/dbraw/zinc/43/91/69/182439169.db2.gz IAIMPMXPYTZESB-MSOLQXFVSA-N 1 0 300.446 3.566 1 0 DHAFRO CCC(=O)N(c1ccc(F)c(Cl)c1)[C@H]1CCC[C@H]1[NH+](C)C ZINC000028235101 182515040 /nfs/dbraw/zinc/51/50/40/182515040.db2.gz YHLQCBXKRNEPGX-CABCVRRESA-N 1 0 312.816 3.705 1 0 DHAFRO C[C@H](C(=O)c1ccc(N)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000029043793 182549980 /nfs/dbraw/zinc/54/99/80/182549980.db2.gz DJXXIZYLWLRREJ-MRXNPFEDSA-N 1 0 322.452 3.795 1 0 DHAFRO c1ccc([C@H]2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000100085679 193794362 /nfs/dbraw/zinc/79/43/62/193794362.db2.gz FSAWWDNTYVTGLO-MXVIHJGJSA-N 1 0 321.468 3.930 1 0 DHAFRO CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000040915562 183148050 /nfs/dbraw/zinc/14/80/50/183148050.db2.gz DRWJMJVERMOJBX-SFHVURJKSA-N 1 0 324.424 3.674 1 0 DHAFRO C[NH2+]C[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(Cl)c1C ZINC000040974920 183153890 /nfs/dbraw/zinc/15/38/90/183153890.db2.gz PQCPVVBGHDVKFV-ROUUACIJSA-N 1 0 317.816 3.887 1 0 DHAFRO NC(=[NH2+])c1ccc2cccc(NC(=O)OCc3ccccc3)c2c1 ZINC000042988616 183326369 /nfs/dbraw/zinc/32/63/69/183326369.db2.gz IJOJCFLJMPZTKK-UHFFFAOYSA-N 1 0 319.364 3.873 1 0 DHAFRO COc1ccc2cc([C@@](C)(O)CC[NH+]3CCCCC3)ccc2c1 ZINC000045366103 183501891 /nfs/dbraw/zinc/50/18/91/183501891.db2.gz QYDUURMPROTJFS-FQEVSTJZSA-N 1 0 313.441 3.932 1 0 DHAFRO C[NH2+][C@H](CC1CCCCC1)C(=O)Nc1ccc2cnccc2c1 ZINC000059241036 184135970 /nfs/dbraw/zinc/13/59/70/184135970.db2.gz LTUVKSFVINYKHZ-GOSISDBHSA-N 1 0 311.429 3.732 1 0 investigational DHAFRO Cc1ccc2cc(NC(=O)[C@@]3(C)CC[N@H+]3CC(C)C)ccc2n1 ZINC000061907091 184194571 /nfs/dbraw/zinc/19/45/71/184194571.db2.gz QMJATAHUAZLLIN-LJQANCHMSA-N 1 0 311.429 3.602 3 0 DHAFRO [NH3+]Cc1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061907997 184194671 /nfs/dbraw/zinc/19/46/71/184194671.db2.gz QVOJLVYFDZOPIG-UHFFFAOYSA-N 1 0 309.394 3.576 3 0 DHAFRO COc1cccc(Nc2nc([C@H]([NH3+])C3CCCCC3)cs2)n1 ZINC000061896723 184193177 /nfs/dbraw/zinc/19/31/77/184193177.db2.gz QHRCDNPYSJPDGJ-OAHLLOKOSA-N 1 0 318.446 3.870 3 0 DHAFRO C[NH2+]C[C@@H](CSc1ccc(C(F)(F)F)cc1)c1c[nH]cn1 ZINC000064564981 184300206 /nfs/dbraw/zinc/30/02/06/184300206.db2.gz MJFULYPEKJAFJK-JTQLQIEISA-N 1 0 315.364 3.524 1 0 DHAFRO CCCCC/C=C/CC[C@@H](O)[C@@H](Cc1ccc(O)cc1)[NH2+]C ZINC000066074660 184387210 /nfs/dbraw/zinc/38/72/10/184387210.db2.gz WLWPUWDINHEBSJ-JNVNVXKGSA-N 1 0 305.462 3.800 1 0 DHAFRO O=[N+]1C(c2ccc(-c3ccccc3)cc2)=CN(O)[C@H]2CCCC[C@@H]21 ZINC000101182006 563556840 /nfs/dbraw/zinc/55/68/40/563556840.db2.gz DXCXLALNKIKFIS-OALUTQOASA-N 1 0 320.392 3.559 1 0 DHAFRO Fc1ccccc1O[C@H](c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000095556940 185379580 /nfs/dbraw/zinc/37/95/80/185379580.db2.gz YFHOQWOKLIAKSM-MRXNPFEDSA-N 1 0 309.743 3.958 1 0 DHAFRO COc1ccccc1Oc1cncc(C2=C[C@@H]3C[NH2+]C[C@H](C2)C3)c1 ZINC000095577474 185380833 /nfs/dbraw/zinc/38/08/33/185380833.db2.gz TWVKXXKMLUVNDJ-CABCVRRESA-N 1 0 322.408 3.895 1 0 DHAFRO Nc1nccc(-n2cc(-c3cccc(Cl)c3)c3c[nH+]ccc32)n1 ZINC000095605060 185382612 /nfs/dbraw/zinc/38/26/12/185382612.db2.gz YWEGMYFIQUEIBO-UHFFFAOYSA-N 1 0 321.771 3.718 1 0 DHAFRO Nc1nccc(-n2cc(-c3ccc(Cl)cc3)c3c[nH+]ccc32)n1 ZINC000095604486 185382648 /nfs/dbraw/zinc/38/26/48/185382648.db2.gz UQPQASRVEMBDQW-UHFFFAOYSA-N 1 0 321.771 3.718 1 0 DHAFRO O[C@@H](C[C@H]1CCCC[NH2+]1)c1ccnc2c1cccc2C(F)(F)F ZINC000169334881 197742124 /nfs/dbraw/zinc/74/21/24/197742124.db2.gz LANOYRCRNIEZRU-ABAIWWIYSA-N 1 0 324.346 3.819 1 0 DHAFRO COc1cccc(-c2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)co2)c1 ZINC000072100840 191036884 /nfs/dbraw/zinc/03/68/84/191036884.db2.gz RBIJPYOAZZHNSJ-ZIAGYGMSSA-N 1 0 300.402 3.828 1 0 DHAFRO NC(=O)c1c[nH+]c(NC2CCCCC2)c2c3ccccc3[nH]c21 ZINC000072124955 191042219 /nfs/dbraw/zinc/04/22/19/191042219.db2.gz HQMGUKDCWLDRDK-UHFFFAOYSA-N 1 0 308.385 3.560 1 0 DHAFRO C(/C=C/[NH+]1CCCC1)=C\c1nc2ccccc2c(N2CCCC2)n1 ZINC000073314055 191304118 /nfs/dbraw/zinc/30/41/18/191304118.db2.gz NWASADKCGNUUNY-HMMKTVFPSA-N 1 0 320.440 3.853 1 0 DHAFRO CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C(=O)OC2CCCCC2)C1 ZINC000013782845 181895877 /nfs/dbraw/zinc/89/58/77/181895877.db2.gz WCEJBLSHLNKAQO-OALUTQOASA-N 1 0 315.457 3.988 1 0 DHAFRO OC[C@H]1c2ccccc2-c2ccc(OCC[NH+]3CCCCC3)cc21 ZINC000026577807 182446348 /nfs/dbraw/zinc/44/63/48/182446348.db2.gz SRZJMUGCWFNKMD-NRFANRHFSA-N 1 0 323.436 3.656 1 0 DHAFRO CC(=O)Nc1cc(/C=C/c2cccc3ccccc23)cc[n+]1C ZINC000027894710 182496325 /nfs/dbraw/zinc/49/63/25/182496325.db2.gz UOAUHWYTLZUFBB-ZHACJKMWSA-O 1 0 303.385 3.793 1 0 DHAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)[C@@H]1CCCC[C@H]21 ZINC000027878397 182494927 /nfs/dbraw/zinc/49/49/27/182494927.db2.gz IZRZVFFEBLKNNX-VNQPRFMTSA-N 1 0 303.446 3.569 1 0 DHAFRO CCCCC[NH+]1CCC2(CC1)O[C@@H](OC)Cc1sccc12 ZINC000040954632 183151517 /nfs/dbraw/zinc/15/15/17/183151517.db2.gz JVKKJHIXRIZNIE-MRXNPFEDSA-N 1 0 309.475 3.775 1 0 DHAFRO C[NH2+]CC[C@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 ZINC000053244146 183894538 /nfs/dbraw/zinc/89/45/38/183894538.db2.gz CVOJPICNHUVJGD-GOSISDBHSA-N 1 0 315.800 3.558 1 0 DHAFRO [NH3+][C@H](Cc1ccc(F)cc1)c1csc(Nc2ccccn2)n1 ZINC000061897641 184193507 /nfs/dbraw/zinc/19/35/07/184193507.db2.gz ZOERAANOXICVOO-CYBMUJFWSA-N 1 0 314.389 3.663 3 0 DHAFRO CC(=O)c1ccc(-c2ccc(N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)cc2)cc1 ZINC000062178506 184212248 /nfs/dbraw/zinc/21/22/48/184212248.db2.gz NCLNAQYDNSHAQF-CTNGQTDRSA-N 1 0 320.436 3.697 1 0 DHAFRO O=S(=O)(Nc1ccc2[nH]c3cc[nH+]cc3c2c1)c1ccccc1 ZINC000064454333 184297766 /nfs/dbraw/zinc/29/77/66/184297766.db2.gz ADQPOZMABHTOQI-UHFFFAOYSA-N 1 0 323.377 3.517 1 0 DHAFRO C[NH2+]C[C@H](CSc1ccc(C(C)(C)C)cc1)c1c[nH]cn1 ZINC000064475055 184297964 /nfs/dbraw/zinc/29/79/64/184297964.db2.gz CIHOROYSJCZFIG-CYBMUJFWSA-N 1 0 303.475 3.803 1 0 DHAFRO [NH2+]=C1N[C@@H](c2ccccc2)C[C@H]2CC[C@H](CCc3ccncc3)N12 ZINC000103262129 185442117 /nfs/dbraw/zinc/44/21/17/185442117.db2.gz OEFAGVGPZGFLFJ-IPMKNSEASA-N 1 0 320.440 3.517 1 0 DHAFRO Cc1cc([C@]23C[C@@]2(c2ccc(Cl)c(Cl)c2)CC[NH2+]C3)no1 ZINC000072139832 191048463 /nfs/dbraw/zinc/04/84/63/191048463.db2.gz AMIXKESLNNOGEZ-HZPDHXFCSA-N 1 0 323.223 3.863 1 0 DHAFRO Cc1nnc(C)n1-c1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1 ZINC000148890670 186046112 /nfs/dbraw/zinc/04/61/12/186046112.db2.gz HXJJTFUVZQIEFZ-KRWDZBQOSA-N 1 0 312.804 3.586 1 0 DHAFRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@]1(OC(=O)c1ccco1)c1ccccc1 ZINC000004776413 181150952 /nfs/dbraw/zinc/15/09/52/181150952.db2.gz HGXBXQXWBLWWHO-VCBZYWHSSA-N 1 0 313.397 3.692 2 0 DHAFRO CC(C)[NH2+]C[C@H](O)COc1cc2ccsc2c2ccccc12 ZINC000005230835 181218764 /nfs/dbraw/zinc/21/87/64/181218764.db2.gz HKJUNVROFCXPEM-AWEZNQCLSA-N 1 0 315.438 3.792 1 0 DHAFRO COc1ccc2c(c1)[C@@H](c1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+][C@H]21 ZINC000005318135 181228624 /nfs/dbraw/zinc/22/86/24/181228624.db2.gz JVUDMSRLJGZBNB-SESVDKBCSA-N 1 0 322.452 3.947 1 0 DHAFRO Cc1ccc2c(c1)Cc1ccccc1N1O[C@@H](C[NH+](C)C)C[C@@H]21 ZINC000013437059 181849893 /nfs/dbraw/zinc/84/98/93/181849893.db2.gz LDUDMYAXGOQOGO-XLIONFOSSA-N 1 0 308.425 3.712 1 0 DHAFRO O[C@@H](c1ccnc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000027523265 182474668 /nfs/dbraw/zinc/47/46/68/182474668.db2.gz VHIDLFMQUGZQQI-HIFRSBDPSA-N 1 0 311.212 3.717 1 0 DHAFRO Cc1cccc2c([C@@H](O)[C@@H]3CCCC[NH2+]3)cc(C(F)(F)F)nc12 ZINC000027526153 182475957 /nfs/dbraw/zinc/47/59/57/182475957.db2.gz KNJZEYSXJNVECK-XJKSGUPXSA-N 1 0 324.346 3.738 1 0 DHAFRO c1ccc(-n2nc(C3CCCCC3)n[n+]2-c2ccccc2)cc1 ZINC000029131517 182553868 /nfs/dbraw/zinc/55/38/68/182553868.db2.gz NEQFKCQCTMDNJV-UHFFFAOYSA-N 1 0 305.405 3.592 1 0 DHAFRO Cc1ccc(C[N@H+](C)CCCCn2c3ccccc3oc2=O)cc1 ZINC000043059142 183332629 /nfs/dbraw/zinc/33/26/29/183332629.db2.gz ZPDISIOXMHELGN-UHFFFAOYSA-N 1 0 324.424 3.815 1 0 DHAFRO Clc1ccc([C@]23C[NH2+]C[C@H]2[C@@H]3COCC2CC2)cc1Cl ZINC000043197501 183344390 /nfs/dbraw/zinc/34/43/90/183344390.db2.gz ORUPHFRKUPILCN-HEHGZKQESA-N 1 0 312.240 3.507 1 0 DHAFRO O=C(c1ccc2[nH]ccc2c1)[C@]1(Cc2ccccc2)CCC[NH2+]1 ZINC000058582075 184123505 /nfs/dbraw/zinc/12/35/05/184123505.db2.gz LPLLJFFJYKVRLO-HXUWFJFHSA-N 1 0 304.393 3.716 1 0 DHAFRO CCCNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C)c3ccccc23)C1 ZINC000061896298 184192988 /nfs/dbraw/zinc/19/29/88/184192988.db2.gz DOMMYSLFBVFSRU-OAQYLSRUSA-N 1 0 324.468 3.886 3 0 DHAFRO COC1=CC(c2ccc[nH]2)=[NH+]C1=CN[C@H]1CCCc2ccccc21 ZINC000064373292 184295836 /nfs/dbraw/zinc/29/58/36/184295836.db2.gz PZIOJPRWRUKWIY-UEIJICEPSA-N 1 0 319.408 3.856 1 0 DHAFRO C[NH+](C)CCCn1c(=O)cc(-c2ccccc2)c2ccccc21 ZINC000095587290 185381746 /nfs/dbraw/zinc/38/17/46/185381746.db2.gz WFJKHMJBLYPBQZ-UHFFFAOYSA-N 1 0 306.409 3.620 1 0 DHAFRO CCCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000096927319 185391957 /nfs/dbraw/zinc/39/19/57/185391957.db2.gz HHKSHLVSGQWALT-AWEZNQCLSA-N 1 0 314.351 3.908 1 0 DHAFRO CC(C)[NH2+]C[C@H](O)COc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000169318894 197740453 /nfs/dbraw/zinc/74/04/53/197740453.db2.gz YGZGKQYBOPFFHM-KRWDZBQOSA-N 1 0 319.832 3.745 1 0 DHAFRO CCc1cccc(COc2c(F)cc(F)cc2[C@@H]2C[C@H]2[NH3+])c1 ZINC000072171817 191069441 /nfs/dbraw/zinc/06/94/41/191069441.db2.gz VJXODNPSRINKCE-WMLDXEAASA-N 1 0 303.352 3.921 1 0 DHAFRO C[C@@H]1CCC[C@@H]([NH2+]Cc2coc(-c3ccc(O)cc3)n2)[C@@H]1C ZINC000072183260 191072441 /nfs/dbraw/zinc/07/24/41/191072441.db2.gz GSXNBIHHVGTEKJ-PBFPGSCMSA-N 1 0 300.402 3.962 1 0 DHAFRO Nc1c2ccccc2nc2c1[C@@H]([NH2+]Cc1ccccc1)CCC2 ZINC000003802295 181046066 /nfs/dbraw/zinc/04/60/66/181046066.db2.gz XDBVTWLIACMBHW-KRWDZBQOSA-N 1 0 303.409 3.984 1 0 DHAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)[C@@H]1CCCCC[C@H]21 ZINC000027878411 182495060 /nfs/dbraw/zinc/49/50/60/182495060.db2.gz UZASONPNPYATSY-HYVNUMGLSA-N 1 0 317.473 3.959 1 0 DHAFRO CC1(C)C[C@]2(C[N@H+](Cc3ccccc3)CCO2)c2ccccc2O1 ZINC000040979115 183154248 /nfs/dbraw/zinc/15/42/48/183154248.db2.gz QQYBBCAZZVHXCC-NRFANRHFSA-N 1 0 323.436 3.975 1 0 DHAFRO CC1=CC=CC2=[NH+]C[C@@H](C(=O)c3ccc4ccccc4c3)CN12 ZINC000042988710 183326182 /nfs/dbraw/zinc/32/61/82/183326182.db2.gz WCLWJQHUNGPTKT-GOSISDBHSA-N 1 0 302.377 3.826 1 0 DHAFRO C[N@@H+]1[C@@H](CCc2ccncc2)CCC[C@H]1CCc1ccncc1 ZINC000049035954 183703888 /nfs/dbraw/zinc/70/38/88/183703888.db2.gz VFBKHLHYLOMLIM-BGYRXZFFSA-N 1 0 309.457 3.895 1 0 DHAFRO CCCNC(=O)[C@@]1(C)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000061904276 184193977 /nfs/dbraw/zinc/19/39/77/184193977.db2.gz DCKBALBZWBKFRH-IBGZPJMESA-N 1 0 314.429 3.561 3 0 DHAFRO CCNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000061906277 184194136 /nfs/dbraw/zinc/19/41/36/184194136.db2.gz NSNZDMGONHUPCD-NRFANRHFSA-N 1 0 322.452 3.702 3 0 DHAFRO Cc1ccccc1-c1nc(NCC[NH+](C)C)nc2ccsc21 ZINC000061905641 184194343 /nfs/dbraw/zinc/19/43/43/184194343.db2.gz AKHAUQFTVHZDDA-UHFFFAOYSA-N 1 0 312.442 3.640 3 0 DHAFRO [NH3+][C@H](c1csc(Nc2ccccn2)n1)c1ccccc1Cl ZINC000061930349 184196222 /nfs/dbraw/zinc/19/62/22/184196222.db2.gz KBSCDZWOAJPMAG-AWEZNQCLSA-N 1 0 316.817 3.983 3 0 DHAFRO CC(C)[N@@H+]1CC[C@](C)(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000061895488 184192968 /nfs/dbraw/zinc/19/29/68/184192968.db2.gz BZOJMUOFUJTYSC-IBGZPJMESA-N 1 0 300.446 3.624 3 0 DHAFRO C[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000066076635 184387141 /nfs/dbraw/zinc/38/71/41/184387141.db2.gz GMUZURIIVQVTEK-UHFFFAOYSA-N 1 0 310.397 3.996 1 0 DHAFRO [NH3+]Cc1ccc(Nc2c(-c3ccccc3)nc3cnccn32)cc1 ZINC000066098850 184389125 /nfs/dbraw/zinc/38/91/25/184389125.db2.gz GBZCNCHIRHIYIC-UHFFFAOYSA-N 1 0 315.380 3.599 1 0 DHAFRO Fc1ccc(-c2n[nH]c([C@H]3CCC[NH2+]C3)c2-c2ccncc2)cc1 ZINC000049070805 581098432 /nfs/dbraw/zinc/09/84/32/581098432.db2.gz ZHXVDAZDTCKPLN-HNNXBMFYSA-N 1 0 322.387 3.745 1 0 DHAFRO