smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccco1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297606 291361814 /nfs/dbraw/zinc/36/18/14/291361814.db2.gz DSGMFMYGPAPRFK-JUXOCIIHSA-N 1 0 437.569 3.190 40 0 biogenic,in-vitro IGABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022865569 519825970 /nfs/dbraw/zinc/82/59/70/519825970.db2.gz KNUYMKCLEZNCKC-IEEQIXEPSA-N 1 0 432.605 3.371 40 0 IGABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2cccnc2)no1)c1ccccc1 ZINC000012482758 523171456 /nfs/dbraw/zinc/17/14/56/523171456.db2.gz NBNXLLSBGUDCHC-SFTDATJTSA-N 1 0 433.556 3.181 40 0 biogenic,in-vitro IGABRO COc1ccc(OC)c([C@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000035289927 524909013 /nfs/dbraw/zinc/90/90/13/524909013.db2.gz YHGLDWGFFFSRFM-JOCHJYFZSA-N 1 0 442.608 3.485 40 0 IGABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843230 526196449 /nfs/dbraw/zinc/19/64/49/526196449.db2.gz XRGXUDGPDOIAIG-FIXDAVPBSA-N 1 0 435.911 3.388 40 0 IGABRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(OCC(F)(F)F)c(O)cc1OCC(F)(F)F ZINC000021986208 526505975 /nfs/dbraw/zinc/50/59/75/526505975.db2.gz QUXZMOOURSXVFW-JTQLQIEISA-N 1 0 430.345 3.146 40 0 IGABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021939643 526656228 /nfs/dbraw/zinc/65/62/28/526656228.db2.gz XISXUVUTXRKCIY-HXUWFJFHSA-N 1 0 447.626 3.061 40 0 IGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000024189841 526743560 /nfs/dbraw/zinc/74/35/60/526743560.db2.gz SCZWJFKTDHEHIG-UHFFFAOYSA-N 1 0 447.626 3.061 40 0 IGABRO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000034860031 555924913 /nfs/dbraw/zinc/92/49/13/555924913.db2.gz ATPCUYQGOXKMIT-YDGKCNFYSA-N 1 0 442.302 3.425 40 0 IGABRO O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039759483 556441863 /nfs/dbraw/zinc/44/18/63/556441863.db2.gz URIOTLPZIORNQK-UHFFFAOYSA-N 1 0 445.560 3.461 40 0 IGABRO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1NC(C)=O ZINC000015360773 556523391 /nfs/dbraw/zinc/52/33/91/556523391.db2.gz MXDLLRJJKKDFBG-UHFFFAOYSA-N 1 0 431.558 3.118 40 0 IGABRO CC[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@H](C)C1 ZINC000036714054 556599787 /nfs/dbraw/zinc/59/97/87/556599787.db2.gz KSIYVZAIKRPLAT-UYAOXDASSA-N 1 0 435.634 3.207 40 0 IGABRO COc1cccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)c1 ZINC000019085756 556699671 /nfs/dbraw/zinc/69/96/71/556699671.db2.gz TZEUDCAKDPQMKQ-VWLOTQADSA-N 1 0 437.584 3.486 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)c1cc(F)ccc1F ZINC000257324589 556704788 /nfs/dbraw/zinc/70/47/88/556704788.db2.gz WPIXCUUPCJIYIC-SONWIMMPSA-N 1 0 444.522 3.268 40 0 IGABRO O=C1CCCN1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000257335486 556706290 /nfs/dbraw/zinc/70/62/90/556706290.db2.gz YKIGMBHHWCRKLC-SANMLTNESA-N 1 0 438.568 3.484 40 0 IGABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)c1cccc(F)c1 ZINC000257343458 556711078 /nfs/dbraw/zinc/71/10/78/556711078.db2.gz ZTDAAJLFLWKYDX-GNKBHMEESA-N 1 0 440.559 3.254 40 0 IGABRO COc1c(C)cccc1C[N@@H+]1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019236010 556720383 /nfs/dbraw/zinc/72/03/83/556720383.db2.gz CEBBZELIDGYVRT-SFTDATJTSA-N 1 0 437.588 3.088 40 0 IGABRO COc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000000880715 556732485 /nfs/dbraw/zinc/73/24/85/556732485.db2.gz HQWIRJIVOLGRTK-UHFFFAOYSA-N 1 0 440.569 3.306 40 0 IGABRO O=C1CCCN1c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000019332373 556737561 /nfs/dbraw/zinc/73/75/61/556737561.db2.gz ANQQANGNKUODFP-FCHUYYIVSA-N 1 0 440.515 3.337 40 0 IGABRO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019343146 556741063 /nfs/dbraw/zinc/74/10/63/556741063.db2.gz UVTFHIRGCIQWTF-MRXNPFEDSA-N 1 0 426.586 3.081 40 0 IGABRO O=C(C1CCCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343613 556741348 /nfs/dbraw/zinc/74/13/48/556741348.db2.gz PUWRFTIUZDSTDP-KRWDZBQOSA-N 1 0 426.586 3.286 40 0 IGABRO O=C(CCCn1ccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019403593 556754214 /nfs/dbraw/zinc/75/42/14/556754214.db2.gz ZKJDPGMDPBGRMP-OAQYLSRUSA-N 1 0 438.576 3.213 40 0 IGABRO CC(C)[N@@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)nc2C1 ZINC000019448423 556758046 /nfs/dbraw/zinc/75/80/46/556758046.db2.gz KNMBFSVFPNUKTE-GOSISDBHSA-N 1 0 436.965 3.128 40 0 IGABRO COc1ccc(CN2CCc3c(nc(-c4ccccn4)nc3N[C@H](C)C[NH+](C)C)C2)cc1 ZINC000019455927 556765655 /nfs/dbraw/zinc/76/56/55/556765655.db2.gz QWFINSPZXSSMTQ-GOSISDBHSA-N 1 0 432.572 3.468 40 0 IGABRO COc1cc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCC(N)=O ZINC000019461043 556767595 /nfs/dbraw/zinc/76/75/95/556767595.db2.gz RRGATPQAKCIAEE-UHFFFAOYSA-N 1 0 440.588 3.266 40 0 IGABRO CCN(CC)c1ncc2c(cc(C3CC[NH+](CC(=O)N(C)c4ccccc4)CC3)[nH]c2=O)n1 ZINC000019526547 556784972 /nfs/dbraw/zinc/78/49/72/556784972.db2.gz AWKMVHPSBKSTTA-UHFFFAOYSA-N 1 0 448.571 3.419 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555552 556798708 /nfs/dbraw/zinc/79/87/08/556798708.db2.gz WUTHUAUABDRREL-PMACEKPBSA-N 1 0 448.567 3.421 40 0 IGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC000060644007 556808216 /nfs/dbraw/zinc/80/82/16/556808216.db2.gz XYVBCRVKVQCIOX-LJQANCHMSA-N 1 0 429.586 3.364 40 0 IGABRO Cc1cc(C[N@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)c(C)s1 ZINC000019567999 556808167 /nfs/dbraw/zinc/80/81/67/556808167.db2.gz QMBVEMWBYRFWOT-PMACEKPBSA-N 1 0 427.618 3.495 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019570584 556810575 /nfs/dbraw/zinc/81/05/75/556810575.db2.gz JXOSRRATCXOWGX-LJQANCHMSA-N 1 0 436.556 3.255 40 0 IGABRO CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000019577955 556815542 /nfs/dbraw/zinc/81/55/42/556815542.db2.gz YDFLKPXQKGZIFY-AREMUKBSSA-N 1 0 447.583 3.370 40 0 IGABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2 ZINC000019708499 556869288 /nfs/dbraw/zinc/86/92/88/556869288.db2.gz UHDCOBZUDXEWBS-QGZVFWFLSA-N 1 0 437.588 3.199 40 0 IGABRO COc1ccccc1CN1C(=O)Cc2c1nc([C@H]1CCC[N@@H+](C3CCOCC3)C1)nc2C ZINC000019743904 556889158 /nfs/dbraw/zinc/88/91/58/556889158.db2.gz VMXPAOWGPUGOSU-IBGZPJMESA-N 1 0 436.556 3.241 40 0 IGABRO COc1ccccc1CNC(=O)c1cn(C)nc1CC1CC[NH+](Cc2cccnc2)CC1 ZINC000019754120 556897637 /nfs/dbraw/zinc/89/76/37/556897637.db2.gz NPNILDRRWRGKOY-UHFFFAOYSA-N 1 0 433.556 3.208 40 0 IGABRO CC(C)CNC(=O)c1cc([C@@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761380 556904861 /nfs/dbraw/zinc/90/48/61/556904861.db2.gz KMYAXFDTRIEENV-LJQANCHMSA-N 1 0 432.572 3.466 40 0 IGABRO CN(C)c1ncccc1C[N@@H+]1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019761708 556905191 /nfs/dbraw/zinc/90/51/91/556905191.db2.gz UMBXFHPSJFEXID-LJQANCHMSA-N 1 0 445.567 3.158 40 0 IGABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)nc2C)c1 ZINC000019763422 556908231 /nfs/dbraw/zinc/90/82/31/556908231.db2.gz RJEHJEBZAUCDKG-HXUWFJFHSA-N 1 0 431.540 3.498 40 0 IGABRO Fc1ccccc1C[NH+]1CCC(c2cc(N3CCOCC3)nc(-c3cnccn3)n2)CC1 ZINC000072352940 556925390 /nfs/dbraw/zinc/92/53/90/556925390.db2.gz VKAVDIYFFZFCDU-UHFFFAOYSA-N 1 0 434.519 3.289 40 0 IGABRO Cc1cc(Cc2ccccc2C)cc([C@H]2CCC[N@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072353927 556928640 /nfs/dbraw/zinc/92/86/40/556928640.db2.gz WCOOAUVHVJNTMG-DEOSSOPVSA-N 1 0 448.611 3.193 40 0 IGABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc1 ZINC000072356452 556931292 /nfs/dbraw/zinc/93/12/92/556931292.db2.gz OLWVZVHBGNGYEI-NRFANRHFSA-N 1 0 431.540 3.221 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3cccc(OC)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409056837 556934349 /nfs/dbraw/zinc/93/43/49/556934349.db2.gz OIBRURBSQUIIJT-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409057306 556934597 /nfs/dbraw/zinc/93/45/97/556934597.db2.gz KLKGUGAYDJKNMP-LMOLPZMTSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 ZINC000409057588 556934793 /nfs/dbraw/zinc/93/47/93/556934793.db2.gz HMTFYECBWDGRKM-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409058285 556935162 /nfs/dbraw/zinc/93/51/62/556935162.db2.gz NMUOOYFXJFJXGY-DQEYMECFSA-O 1 0 441.555 3.386 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409058443 556935383 /nfs/dbraw/zinc/93/53/83/556935383.db2.gz NCSXUCGRDMDNAX-YCAYNYMGSA-O 1 0 428.512 3.410 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(C)cc2)c1 ZINC000409060679 556937524 /nfs/dbraw/zinc/93/75/24/556937524.db2.gz SQURKYZGYLIDEP-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409060949 556943032 /nfs/dbraw/zinc/94/30/32/556943032.db2.gz AOBDAHCHYPKSCQ-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO Cc1cc(C)n2ncc(C(=O)C3CCN(C(=O)c4cccc(OCC[NH+](C)C)c4)CC3)c2n1 ZINC000072373208 556945767 /nfs/dbraw/zinc/94/57/67/556945767.db2.gz NDSNADMGSYPEFM-UHFFFAOYSA-N 1 0 449.555 3.022 40 0 IGABRO CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409072689 556946301 /nfs/dbraw/zinc/94/63/01/556946301.db2.gz RTKQCWWAWJSANY-PKTZIBPZSA-O 1 0 447.946 3.422 40 0 IGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cn(C)c5ccccc45)C[C@H]32)c(OCC)n1 ZINC000072392652 556963938 /nfs/dbraw/zinc/96/39/38/556963938.db2.gz HEQLCMRDJPRRSJ-SMTRDTIPSA-N 1 0 436.556 3.495 40 0 IGABRO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000020082369 556978975 /nfs/dbraw/zinc/97/89/75/556978975.db2.gz UPMMZHMPCFECTR-NFBKMPQASA-N 1 0 447.587 3.062 40 0 IGABRO COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000020139844 556989162 /nfs/dbraw/zinc/98/91/62/556989162.db2.gz JVUOLQMWGMNYBG-NRFANRHFSA-N 1 0 428.581 3.095 40 0 IGABRO CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000257295009 556999945 /nfs/dbraw/zinc/99/99/45/556999945.db2.gz QWPHMSAXUAZNNC-XLIONFOSSA-N 1 0 436.560 3.090 40 0 IGABRO CCCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000585106343 557039987 /nfs/dbraw/zinc/03/99/87/557039987.db2.gz XVUWQMYDYOZNNW-UXHICEINSA-N 1 0 429.992 3.211 40 0 IGABRO O=C(Cc1ccccc1)NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@H+]12 ZINC000585110072 557042526 /nfs/dbraw/zinc/04/25/26/557042526.db2.gz DYUWSEUNCOJLGU-RPWUZVMVSA-N 1 0 440.547 3.434 40 0 IGABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(C(=O)Nc2ccc(Cl)cc2)CC3)C1=O ZINC000096144087 557171795 /nfs/dbraw/zinc/17/17/95/557171795.db2.gz LCTSNFVFUBKJPE-QHCPKHFHSA-N 1 0 448.995 3.155 40 0 IGABRO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000096215663 557183657 /nfs/dbraw/zinc/18/36/57/557183657.db2.gz XTQPFXHNKOHFMU-QHCPKHFHSA-N 1 0 430.570 3.381 40 0 IGABRO CC(=O)N[C@]12C[N@@H+](C)[C@H](c3ccccc3)[C@H]1CN(C(=O)c1cc3ccc(F)cc3[nH]1)CC2 ZINC000585261223 557194553 /nfs/dbraw/zinc/19/45/53/557194553.db2.gz QBFJRDMHGKIGDG-QFZRFWILSA-N 1 0 434.515 3.331 40 0 IGABRO C[C@@H]([NH3+])C(=O)N1CCC(CO)(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262949 557203354 /nfs/dbraw/zinc/20/33/54/557203354.db2.gz FPJPNRMDZXOSIS-MRXNPFEDSA-N 1 0 437.569 3.148 40 0 IGABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc(OCCN4CCOCC4)cc3)CC2)cc1 ZINC000585274245 557218520 /nfs/dbraw/zinc/21/85/20/557218520.db2.gz XYOOBDZRZSVRBT-UHFFFAOYSA-N 1 0 440.584 3.112 40 0 IGABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)cc1C ZINC000010450034 557221858 /nfs/dbraw/zinc/22/18/58/557221858.db2.gz NNBHEOPGGRZKLZ-UHFFFAOYSA-N 1 0 429.586 3.101 40 0 IGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382258 557237079 /nfs/dbraw/zinc/23/70/79/557237079.db2.gz MATYFZSVPFNLFW-OHUMZHCVSA-N 1 0 425.479 3.112 40 0 biogenic,in-vitro IGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000057774112 557264093 /nfs/dbraw/zinc/26/40/93/557264093.db2.gz JHIJIEKNFRRMCY-HOYKHHGWSA-N 1 0 427.545 3.205 40 0 IGABRO COc1ccccc1N1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)C)cc2)CC1 ZINC000040373264 557414798 /nfs/dbraw/zinc/41/47/98/557414798.db2.gz OQNBLLXGZQFVHK-QFIPXVFZSA-N 1 0 428.573 3.397 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1 ZINC000019499548 557499746 /nfs/dbraw/zinc/49/97/46/557499746.db2.gz ABSDPVZYHKBBBP-OAQYLSRUSA-N 1 0 437.592 3.003 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019527976 557501763 /nfs/dbraw/zinc/50/17/63/557501763.db2.gz DJLNQQWRPAYSMC-QFIPXVFZSA-N 1 0 435.576 3.055 40 0 IGABRO Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000224394362 557601315 /nfs/dbraw/zinc/60/13/15/557601315.db2.gz LTFLPGMLCQRKHD-UHFFFAOYSA-N 1 0 443.613 3.485 40 0 IGABRO CCN(Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224450001 557607418 /nfs/dbraw/zinc/60/74/18/557607418.db2.gz ZWQOMYBJGLMBMI-UHFFFAOYSA-N 1 0 429.586 3.113 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000224598864 557629287 /nfs/dbraw/zinc/62/92/87/557629287.db2.gz CVYRXWIMOMMHCJ-UHFFFAOYSA-N 1 0 435.977 3.018 40 0 IGABRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000224610646 557630472 /nfs/dbraw/zinc/63/04/72/557630472.db2.gz OBFOPKRYTVCZFU-UHFFFAOYSA-N 1 0 441.597 3.305 40 0 IGABRO CN(c1ccc(Cl)c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1)S(C)(=O)=O ZINC000224634891 557634131 /nfs/dbraw/zinc/63/41/31/557634131.db2.gz AIHIQRUQKKXCHB-UHFFFAOYSA-N 1 0 435.977 3.262 40 0 IGABRO CN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(Cl)c1)S(C)(=O)=O ZINC000224634954 557634186 /nfs/dbraw/zinc/63/41/86/557634186.db2.gz QJUCVCYHEZEQHW-UHFFFAOYSA-N 1 0 435.977 3.262 40 0 IGABRO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1C ZINC000224653232 557636418 /nfs/dbraw/zinc/63/64/18/557636418.db2.gz SECWADVYUDQTLY-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000224843706 557657756 /nfs/dbraw/zinc/65/77/56/557657756.db2.gz XEBCZOLSACRDJB-SFHVURJKSA-N 1 0 447.576 3.283 40 0 IGABRO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225547091 557740022 /nfs/dbraw/zinc/74/00/22/557740022.db2.gz WFGSEDVZEFTEKC-SFHVURJKSA-N 1 0 442.025 3.123 40 0 IGABRO CCCn1c2ccc(S(=O)(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)cc2sc1=O ZINC000225732585 557770368 /nfs/dbraw/zinc/77/03/68/557770368.db2.gz SQACQSBUXCNRGB-INIZCTEOSA-N 1 0 425.620 3.406 40 0 IGABRO Cc1oc(-c2cccs2)nc1C[S@@](=O)CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000006577821 562947893 /nfs/dbraw/zinc/94/78/93/562947893.db2.gz QGYSEQCMSZKWQJ-LXLLPEIISA-N 1 0 437.631 3.444 40 0 IGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)COC)c3ccccn3)C2)cc1OC ZINC000057774028 568625984 /nfs/dbraw/zinc/62/59/84/568625984.db2.gz JQVPKKZQZHOCJW-DVECYGJZSA-N 1 0 427.545 3.205 40 0 IGABRO COc1ccc(OC)c(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c1 ZINC000257218757 568673699 /nfs/dbraw/zinc/67/36/99/568673699.db2.gz DEICLGXFSSRBJN-SFHVURJKSA-N 1 0 426.561 3.167 40 0 IGABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4c3)C2)CC1 ZINC000257221864 568675256 /nfs/dbraw/zinc/67/52/56/568675256.db2.gz DQVWYGCQJCPNKI-DEOSSOPVSA-N 1 0 446.595 3.307 40 0 IGABRO C[NH+](C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000257224715 568676347 /nfs/dbraw/zinc/67/63/47/568676347.db2.gz FCZZTAJAONPHDB-GOSISDBHSA-N 1 0 436.581 3.146 40 0 IGABRO Cc1nc([C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257249546 568688502 /nfs/dbraw/zinc/68/85/02/568688502.db2.gz JIVMWUCPDHJJTN-HXUWFJFHSA-N 1 0 441.620 3.302 40 0 IGABRO Cc1nc([C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257249545 568688510 /nfs/dbraw/zinc/68/85/10/568688510.db2.gz JIVMWUCPDHJJTN-FQEVSTJZSA-N 1 0 441.620 3.302 40 0 IGABRO C[N@H+](CCC(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12)Cc1cccnc1 ZINC000257262861 568694758 /nfs/dbraw/zinc/69/47/58/568694758.db2.gz LNGNOCKUEMUBCD-UMFSSWHCSA-N 1 0 434.584 3.175 40 0 IGABRO CCCn1c2ccc(NC(=O)C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cnccn3)cc2oc1=O ZINC000257274729 568699656 /nfs/dbraw/zinc/69/96/56/568699656.db2.gz NMJQFXCIWLNVOD-DBXWQHBBSA-N 1 0 449.555 3.324 40 0 IGABRO CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)C[NH+]2CCC(C(N)=O)CC2)CO[C@H]1c1cccc(F)c1 ZINC000257311547 568716056 /nfs/dbraw/zinc/71/60/56/568716056.db2.gz UJZOQVDKMQKFRD-RSEQLOHWSA-N 1 0 445.579 3.118 40 0 IGABRO Cc1csc(Nc2cc(C)nc([C@H]3CN(C(=O)CCn4nccc4C)CCO3)c2)n1 ZINC000257317718 568719182 /nfs/dbraw/zinc/71/91/82/568719182.db2.gz VKWKUEUXUDENPE-LJQANCHMSA-N 1 0 426.546 3.394 40 0 IGABRO CC1(C(=O)N2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000257336634 568727436 /nfs/dbraw/zinc/72/74/36/568727436.db2.gz YPHITJPBMKWEMC-QFIPXVFZSA-N 1 0 447.583 3.049 40 0 IGABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(S(=O)(=O)c4cnn(C)c4C)C3)c2)cc1 ZINC000257338669 568728017 /nfs/dbraw/zinc/72/80/17/568728017.db2.gz YYKLGYLUMGGCPR-QGZVFWFLSA-N 1 0 441.557 3.362 40 0 IGABRO Cc1ncsc1C[N@@H+]1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306123333 568762505 /nfs/dbraw/zinc/76/25/05/568762505.db2.gz AKLRLEFIBGKIBZ-SIKLNZKXSA-N 1 0 440.594 3.305 40 0 IGABRO O=C(NC1CCC1)c1nnc2n1C[C@@H]1[N@@H+](Cc3ccoc3)CC[C@]1(c1ccccc1)CC2 ZINC000306141268 568771870 /nfs/dbraw/zinc/77/18/70/568771870.db2.gz VQIJEBGMADOFOU-OFVILXPXSA-N 1 0 431.540 3.312 40 0 IGABRO Cc1nc(-c2ccco2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)COc2ccccc2)n1 ZINC000015672566 568803140 /nfs/dbraw/zinc/80/31/40/568803140.db2.gz IIDAKOFKKSXZMF-ZVDOUQERSA-N 1 0 432.524 3.418 40 0 biogenic,in-vitro IGABRO C[NH+](C)CCCNc1nc(NCc2ccccc2Br)cc(C(F)(F)F)n1 ZINC000328982482 568808395 /nfs/dbraw/zinc/80/83/95/568808395.db2.gz HAPHWMSCBARVKD-UHFFFAOYSA-N 1 0 432.288 3.077 40 0 IGABRO C[NH+](C)CCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)n1 ZINC000329043055 568810169 /nfs/dbraw/zinc/81/01/69/568810169.db2.gz SQKVVCNKONRXOI-UHFFFAOYSA-N 1 0 426.362 3.336 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000019499533 568875942 /nfs/dbraw/zinc/87/59/42/568875942.db2.gz BVWDUWPHHXZSOI-NRFANRHFSA-N 1 0 437.592 3.003 40 0 IGABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000103527602 568897183 /nfs/dbraw/zinc/89/71/83/568897183.db2.gz KAGCDJKHLXHNNM-JSAFQYNZSA-N 1 0 435.911 3.388 40 0 IGABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000248121740 569207187 /nfs/dbraw/zinc/20/71/87/569207187.db2.gz KIQVMJBAZSLZHP-AVRDEDQJSA-N 1 0 445.560 3.185 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)[nH]c(=O)c2C1 ZINC000248126815 569207192 /nfs/dbraw/zinc/20/71/92/569207192.db2.gz HUGXMROWVOQRKB-QUCCMNQESA-N 1 0 448.567 3.421 40 0 IGABRO C[C@H](C(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC000019700322 569231183 /nfs/dbraw/zinc/23/11/83/569231183.db2.gz NKDRFNXBVBIBRB-OAQYLSRUSA-N 1 0 448.611 3.472 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cc1c(C)noc1C ZINC000019763434 569238085 /nfs/dbraw/zinc/23/80/85/569238085.db2.gz UXOQGPHXRYSVLE-LJQANCHMSA-N 1 0 449.555 3.468 40 0 IGABRO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000009320214 569295398 /nfs/dbraw/zinc/29/53/98/569295398.db2.gz CAJNLWNSIOWMER-GUQHISFFSA-N 1 0 449.938 3.494 40 0 IGABRO Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4ccc(F)cc43)CC1)CCC[C@H]2O ZINC000067665271 569301932 /nfs/dbraw/zinc/30/19/32/569301932.db2.gz SVATZOFABXGUAB-LJQANCHMSA-N 1 0 426.492 3.081 40 0 in-vitro IGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218621857 569458836 /nfs/dbraw/zinc/45/88/36/569458836.db2.gz JMWUNQBVJMMLDY-AOIWGVFYSA-N 1 0 428.337 3.441 40 0 IGABRO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1)Nc1ccsc1 ZINC000008636245 569469589 /nfs/dbraw/zinc/46/95/89/569469589.db2.gz UPTTXDHMRVNACT-SXWKCWPCSA-N 1 0 439.629 3.402 40 0 biogenic,in-vitro IGABRO C[NH+]1CCC(N2CCC(O)(c3csc(CN4CCc5ccccc5C4)n3)CC2)CC1 ZINC000225473877 291356078 /nfs/dbraw/zinc/35/60/78/291356078.db2.gz OTUMYQCRGIVHFN-UHFFFAOYSA-N 1 0 426.630 3.079 40 0 biogenic,in-vitro IGABRO COc1ccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]CCCc3ccccc3)n2)cc1 ZINC000005438980 291358058 /nfs/dbraw/zinc/35/80/58/291358058.db2.gz SUFRBVPHCPZUBI-CXSMSNRLSA-N 1 0 446.551 3.321 40 0 biogenic,in-vitro IGABRO Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)[NH2+][C@H](C(=O)N2CCOCC2)C3)no1 ZINC000049171920 291360083 /nfs/dbraw/zinc/36/00/83/291360083.db2.gz PUNFEHLFLJRYFY-VXKWHMMOSA-N 1 0 436.556 3.446 40 0 biogenic,in-vitro IGABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)CC1 ZINC000020484137 521022958 /nfs/dbraw/zinc/02/29/58/521022958.db2.gz BBUGVTIBUZYWRX-UHFFFAOYSA-N 1 0 441.597 3.372 40 0 IGABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000036719273 524765940 /nfs/dbraw/zinc/76/59/40/524765940.db2.gz QSCZLDJPSQOILF-JYFHCDHNSA-N 1 0 438.568 3.257 40 0 IGABRO Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843333 524952587 /nfs/dbraw/zinc/95/25/87/524952587.db2.gz INMYNIWXRXBYHO-ZVVFGRKBSA-N 1 0 435.911 3.388 40 0 IGABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=O)NCc3ccccc3)cc2c1 ZINC000012707853 525477485 /nfs/dbraw/zinc/47/74/85/525477485.db2.gz LEOXRFPAWWWZRR-UHFFFAOYSA-N 1 0 434.540 3.344 40 0 IGABRO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000013674822 526704049 /nfs/dbraw/zinc/70/40/49/526704049.db2.gz UJEODDNXIGPLKI-UHFFFAOYSA-N 1 0 447.576 3.403 40 0 IGABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2cccc(OC(F)(F)F)c2)C(=O)N1)Nc1ccccc1 ZINC000022607358 526826973 /nfs/dbraw/zinc/82/69/73/526826973.db2.gz XPWMWWTWTVBWTR-AWEZNQCLSA-N 1 0 434.378 3.245 40 0 IGABRO O=C(CCC[NH+]1CCC2(CC(=O)N(N3CCCCCC3)C2=O)CC1)c1ccc(F)cc1 ZINC000001641770 555707927 /nfs/dbraw/zinc/70/79/27/555707927.db2.gz ALGMMJAQGMCYIY-UHFFFAOYSA-N 1 0 429.536 3.421 40 0 IGABRO CC[NH+](CC)CCOC(=O)c1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000008870231 556229649 /nfs/dbraw/zinc/22/96/49/556229649.db2.gz XUJZBMYNLLQJNK-OAQYLSRUSA-N 1 0 428.485 3.484 40 0 IGABRO O=C(NCCC[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000010279657 556329512 /nfs/dbraw/zinc/32/95/12/556329512.db2.gz IIEXOXGGFDHCAV-UHFFFAOYSA-N 1 0 427.998 3.120 40 0 IGABRO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013675907 556554179 /nfs/dbraw/zinc/55/41/79/556554179.db2.gz HNBGGUCBLZVFBS-UHFFFAOYSA-N 1 0 433.549 3.008 40 0 IGABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000037530278 556604610 /nfs/dbraw/zinc/60/46/10/556604610.db2.gz OQBXJQCEXOYVTF-IWVMGURDSA-N 1 0 430.589 3.125 40 0 IGABRO CN1CCC([N@H+]2C[C@@H]3[C@H](C2)Oc2cc(-c4ccc(F)cc4F)ccc2C(=O)N3C)CC1 ZINC000514290153 556626192 /nfs/dbraw/zinc/62/61/92/556626192.db2.gz SVOIUXKGMJDMBT-GGAORHGYSA-N 1 0 427.495 3.243 40 0 biogenic,in-vitro IGABRO COc1ccccc1[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000019086069 556699659 /nfs/dbraw/zinc/69/96/59/556699659.db2.gz QSCZLDJPSQOILF-ZEQKJWHPSA-N 1 0 438.568 3.257 40 0 IGABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OCCn2cccn2)cc1 ZINC000257245588 556711043 /nfs/dbraw/zinc/71/10/43/556711043.db2.gz IQFUZIGRUGSILI-OAQYLSRUSA-N 1 0 425.529 3.233 40 0 IGABRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@]3(C2)C[N@H+](C)Cc2cc(C)ccc2O3)cc1 ZINC000019219495 556714127 /nfs/dbraw/zinc/71/41/27/556714127.db2.gz BSZZJIIIUQHRHU-QHCPKHFHSA-N 1 0 443.569 3.001 40 0 IGABRO O=C(Cc1ccsc1)N1C[C@@H]2CCCC[N@H+](Cc3ccc(N4CCOCC4)nc3)[C@@H]2C1 ZINC000019341916 556740273 /nfs/dbraw/zinc/74/02/73/556740273.db2.gz YEPGUDKQCGKHRM-FCHUYYIVSA-N 1 0 440.613 3.035 40 0 IGABRO CC[C@@H](C)NC(=O)CN1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2ccccc2C1=O ZINC000019499961 556771791 /nfs/dbraw/zinc/77/17/91/556771791.db2.gz AWXIDRYCALLDOE-HXUWFJFHSA-N 1 0 435.568 3.471 40 0 IGABRO CCn1nc2c(c1C(=O)N1CCC[C@H]1c1nc3c(c(=O)[nH]1)CC[N@@H+](C(C)C)C3)CCCC2 ZINC000019524091 556781372 /nfs/dbraw/zinc/78/13/72/556781372.db2.gz KMPIYINPSJWKPV-FQEVSTJZSA-N 1 0 438.576 3.021 40 0 IGABRO CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)cc1 ZINC000019533402 556793346 /nfs/dbraw/zinc/79/33/46/556793346.db2.gz GPZLFRJZPXZARG-FGZHOGPDSA-N 1 0 437.588 3.216 40 0 IGABRO Cc1nn([C@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556137 556798977 /nfs/dbraw/zinc/79/89/77/556798977.db2.gz LSKBLZOGCTWWSS-QVKFZJNVSA-N 1 0 440.592 3.385 40 0 IGABRO Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3cc(=O)[nH]c(C4CC[NH+](C)CC4)n3)C2)s1 ZINC000019560403 556802129 /nfs/dbraw/zinc/80/21/29/556802129.db2.gz UJYJUJWRJWWWIC-QGZVFWFLSA-N 1 0 429.590 3.013 40 0 IGABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4nc5ccccc5s4)C3)[nH]c(=O)c2C1 ZINC000019590241 556825393 /nfs/dbraw/zinc/82/53/93/556825393.db2.gz IAZIJRKNKBTROE-OAHLLOKOSA-N 1 0 437.569 3.119 40 0 IGABRO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@@H+](C)Cc3ccccc3OCC(C)C)cc2)C1 ZINC000019698770 556857789 /nfs/dbraw/zinc/85/77/89/556857789.db2.gz NNKLEWXQEZVXCN-RPWUZVMVSA-N 1 0 437.584 3.401 40 0 IGABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+](C)C)nc2c1CCCN2Cc1cccc(F)c1 ZINC000019706851 556865501 /nfs/dbraw/zinc/86/55/01/556865501.db2.gz ASMQEPJCASQMEB-NRFANRHFSA-N 1 0 425.552 3.492 40 0 IGABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)C(C)(C)c1cccc(F)c1)CC2 ZINC000019710309 556872458 /nfs/dbraw/zinc/87/24/58/556872458.db2.gz FOYKCWVZBQBYAT-MRXNPFEDSA-N 1 0 425.552 3.329 40 0 IGABRO COCC(=O)NCc1cnc2cc(C)nn2c1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019743674 556888534 /nfs/dbraw/zinc/88/85/34/556888534.db2.gz XSFNCRSPERPSOZ-UHFFFAOYSA-N 1 0 441.963 3.333 40 0 IGABRO O=C(Nc1ccccc1C[NH+]1CCCC1)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019748088 556892824 /nfs/dbraw/zinc/89/28/24/556892824.db2.gz SYYMBMHKIUVGPT-SFHVURJKSA-N 1 0 431.533 3.071 40 0 IGABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@H+](Cc4ccncc4)C3)nc2C)c1 ZINC000019753307 556897200 /nfs/dbraw/zinc/89/72/00/556897200.db2.gz JYQKCXIRCRZWAZ-NRFANRHFSA-N 1 0 431.540 3.498 40 0 IGABRO CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)C3C[NH+](Cc4ccccc4)C3)C2)nc2ccccc21 ZINC000019756984 556901181 /nfs/dbraw/zinc/90/11/81/556901181.db2.gz ATOMZHDXONRVQF-HXUWFJFHSA-N 1 0 442.563 3.385 40 0 IGABRO COc1ccccc1CNC(=O)c1cncnc1CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000019757204 556901329 /nfs/dbraw/zinc/90/13/29/556901329.db2.gz DUBNKPNHLSFMLN-UHFFFAOYSA-N 1 0 436.556 3.016 40 0 IGABRO CNc1ncccc1C[N@@H+]1CC[C@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000019757928 556901856 /nfs/dbraw/zinc/90/18/56/556901856.db2.gz DUXBNXCKPKUNKA-FQEVSTJZSA-N 1 0 446.555 3.150 40 0 IGABRO CNc1ncccc1C[N@@H+]1CC[C@@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000019757926 556901910 /nfs/dbraw/zinc/90/19/10/556901910.db2.gz DUXBNXCKPKUNKA-HXUWFJFHSA-N 1 0 446.555 3.150 40 0 IGABRO CN(CCO)C(=O)c1cc([C@@H]2CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)nc2ccccc21 ZINC000019761934 556905832 /nfs/dbraw/zinc/90/58/32/556905832.db2.gz QKJMXRYTNGKHPA-QGZVFWFLSA-N 1 0 435.572 3.309 40 0 IGABRO Cc1nc([C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763475 556908212 /nfs/dbraw/zinc/90/82/12/556908212.db2.gz CAMYTYOGSNQKON-QFIPXVFZSA-N 1 0 449.599 3.297 40 0 IGABRO CN(C)C(=O)c1ccc(C2CC[NH+](Cc3cc4ccccc4nc3N(C)C)CC2)nc1N ZINC000019765922 556911149 /nfs/dbraw/zinc/91/11/49/556911149.db2.gz OGXRARQQLHQLQF-UHFFFAOYSA-N 1 0 432.572 3.359 40 0 IGABRO COC(=O)[C@]1(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340244 556912116 /nfs/dbraw/zinc/91/21/16/556912116.db2.gz JDOCYYZOHHZWOL-MUNBIWSKSA-N 1 0 426.557 3.331 40 0 IGABRO COC(=O)[C@]1(CC(=O)N2C[C@H](C)C[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340264 556912278 /nfs/dbraw/zinc/91/22/78/556912278.db2.gz UHLYUMFZFNWZRR-GXRLWRAUSA-N 1 0 426.557 3.046 40 0 IGABRO CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000072344895 556915768 /nfs/dbraw/zinc/91/57/68/556915768.db2.gz OGZMGUMEZRBTGV-HXUWFJFHSA-N 1 0 432.590 3.368 40 0 IGABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 ZINC000072347700 556918976 /nfs/dbraw/zinc/91/89/76/556918976.db2.gz SSPPWMOTHWSVFP-JOCHJYFZSA-N 1 0 437.588 3.038 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409051444 556933132 /nfs/dbraw/zinc/93/31/32/556933132.db2.gz ADQBEFLMMMCOPP-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409057451 556934786 /nfs/dbraw/zinc/93/47/86/556934786.db2.gz QEWLJPQYQSNGMH-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 ZINC000409058374 556935419 /nfs/dbraw/zinc/93/54/19/556935419.db2.gz MVKYVAZTAXCLOY-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409058437 556935462 /nfs/dbraw/zinc/93/54/62/556935462.db2.gz NCSXUCGRDMDNAX-JLSHEFHBSA-O 1 0 428.512 3.410 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000409058513 556935638 /nfs/dbraw/zinc/93/56/38/556935638.db2.gz YBULRNMFNFBCMW-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 ZINC000409059390 556936425 /nfs/dbraw/zinc/93/64/25/556936425.db2.gz MUJPOVQRMSADIL-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409060080 556936986 /nfs/dbraw/zinc/93/69/86/556936986.db2.gz SJTFRZMNOVTNAT-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 ZINC000409061080 556937786 /nfs/dbraw/zinc/93/77/86/556937786.db2.gz UVDIDFHIYSQBGE-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO CN(C)c1ncc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000072371494 556939045 /nfs/dbraw/zinc/93/90/45/556939045.db2.gz XDBRDYJGBKDCKG-MRXNPFEDSA-N 1 0 428.487 3.155 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409060947 556943004 /nfs/dbraw/zinc/94/30/04/556943004.db2.gz AOBDAHCHYPKSCQ-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1OC ZINC000409061269 556943250 /nfs/dbraw/zinc/94/32/50/556943250.db2.gz CJCJEPPZVCKJNM-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO Cc1nc([C@@H](C)n2ncc3ccccc3c2=O)cc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000072373273 556946092 /nfs/dbraw/zinc/94/60/92/556946092.db2.gz JWKNGQLJHJZKCE-LJQANCHMSA-N 1 0 440.551 3.426 40 0 IGABRO COc1ccccc1[C@@H](CNc1cc(Cn2ncc3ccccc3c2=O)nc(C)n1)[NH+](C)C ZINC000072373359 556946613 /nfs/dbraw/zinc/94/66/13/556946613.db2.gz FYVMXCXEXSSLDO-JOCHJYFZSA-N 1 0 444.539 3.267 40 0 IGABRO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1OC(F)F ZINC000072394965 556966423 /nfs/dbraw/zinc/96/64/23/556966423.db2.gz XSXAQCUYHSKVQD-NHJWOMDBSA-N 1 0 431.483 3.280 40 0 IGABRO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000020046317 556973362 /nfs/dbraw/zinc/97/33/62/556973362.db2.gz ONEXBLPMNLNDEP-WOJBJXKFSA-N 1 0 449.661 3.021 40 0 IGABRO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C[NH+](C)C)CC1 ZINC000257309074 557001845 /nfs/dbraw/zinc/00/18/45/557001845.db2.gz TZKUPNYVAODLRY-QAQDUYKDSA-N 1 0 431.602 3.229 40 0 IGABRO O=C(NC1CC2(C1)CC[NH+](Cc1ccnc(N3CCOCC3)c1)CC2)OC1CCCC1 ZINC000585102886 557036763 /nfs/dbraw/zinc/03/67/63/557036763.db2.gz GOJGAYSBBDIGKV-UHFFFAOYSA-N 1 0 428.577 3.332 40 0 IGABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1 ZINC000585104901 557037779 /nfs/dbraw/zinc/03/77/79/557037779.db2.gz WKOPKBUHUKWKMB-FUDKSRODSA-N 1 0 430.589 3.007 40 0 IGABRO COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCC(C)C)C[C@@H]12 ZINC000585106220 557039710 /nfs/dbraw/zinc/03/97/10/557039710.db2.gz XJPDDGFEGMNQAK-MOPGFXCFSA-N 1 0 433.980 3.047 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NC[C@@H]1CCCO1 ZINC000006193263 557147988 /nfs/dbraw/zinc/14/79/88/557147988.db2.gz KWKOGRJJWLPWKA-FQEVSTJZSA-N 1 0 444.645 3.342 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=S)NC[C@H]1CCCO1 ZINC000006193297 557148367 /nfs/dbraw/zinc/14/83/67/557148367.db2.gz BPEGWRWVSRTFCO-OAQYLSRUSA-N 1 0 444.645 3.342 40 0 IGABRO CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000006196718 557148973 /nfs/dbraw/zinc/14/89/73/557148973.db2.gz VLJRHTIHCKCLMU-UHFFFAOYSA-N 1 0 442.585 3.348 40 0 IGABRO CCN1CC2(CC[NH+](Cc3ccc(OC)cc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037147 557164210 /nfs/dbraw/zinc/16/42/10/557164210.db2.gz YHNFQXUADOOOQE-UHFFFAOYSA-N 1 0 430.570 3.381 40 0 IGABRO COCCN1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263522 557191337 /nfs/dbraw/zinc/19/13/37/557191337.db2.gz ZOIXRSDOHSZHHN-UHFFFAOYSA-N 1 0 448.560 3.138 40 0 IGABRO C[C@H](C(=O)NCCC[NH+]1CCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010450108 557221848 /nfs/dbraw/zinc/22/18/48/557221848.db2.gz DUWTWUAGHGMBBD-LJQANCHMSA-N 1 0 445.585 3.236 40 0 IGABRO O[C@H]1CC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cc(F)cc(F)c1 ZINC000585286902 557225539 /nfs/dbraw/zinc/22/55/39/557225539.db2.gz KCXAYCDQDSAJCI-IODBPXAYSA-N 1 0 447.522 3.230 40 0 IGABRO CCCCc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@H]2O)cc1 ZINC000585290310 557227224 /nfs/dbraw/zinc/22/72/24/557227224.db2.gz QGQMUPHBFJKWTN-NOZRDPDXSA-N 1 0 445.003 3.339 40 0 IGABRO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382708 557237306 /nfs/dbraw/zinc/23/73/06/557237306.db2.gz ZJHXJBSQXISWJE-ZGFBMJKBSA-N 1 0 433.552 3.054 40 0 biogenic,in-vitro IGABRO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)COC)c3ccccn3)C2)cc1OC ZINC000057774026 557263675 /nfs/dbraw/zinc/26/36/75/557263675.db2.gz JQVPKKZQZHOCJW-CYFREDJKSA-N 1 0 427.545 3.205 40 0 IGABRO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000057774116 557264045 /nfs/dbraw/zinc/26/40/45/557264045.db2.gz JHIJIEKNFRRMCY-KOSHJBKYSA-N 1 0 427.545 3.205 40 0 IGABRO Cc1ccc(C)c(N(Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000113965266 557383546 /nfs/dbraw/zinc/38/35/46/557383546.db2.gz DSKXGNBPWZGSKP-UHFFFAOYSA-N 1 0 429.586 3.094 40 0 IGABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@@H]2CCCO2)cc1OC ZINC000013994254 557401029 /nfs/dbraw/zinc/40/10/29/557401029.db2.gz ABFDCBGVRKDYKQ-IBGZPJMESA-N 1 0 425.529 3.075 40 0 IGABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1cccnc1 ZINC000223256589 557451517 /nfs/dbraw/zinc/45/15/17/557451517.db2.gz OISSWFRBHRPMIA-XZOQPEGZSA-N 1 0 434.613 3.477 40 0 IGABRO COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223292046 557456532 /nfs/dbraw/zinc/45/65/32/557456532.db2.gz QGKMZRUXMWVSJS-VXKWHMMOSA-N 1 0 449.580 3.193 40 0 IGABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000103466155 557459215 /nfs/dbraw/zinc/45/92/15/557459215.db2.gz KTJKIOWZFACJIX-KGSLCBSSSA-N 1 0 447.645 3.152 40 0 IGABRO Clc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140780 557516048 /nfs/dbraw/zinc/51/60/48/557516048.db2.gz BMFJJYUOOXTTKS-LEWJYISDSA-N 1 0 430.984 3.155 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)cc1 ZINC000224262420 557582394 /nfs/dbraw/zinc/58/23/94/557582394.db2.gz LPSNBUBREMXSEI-UHFFFAOYSA-N 1 0 429.586 3.426 40 0 IGABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000224507114 557614342 /nfs/dbraw/zinc/61/43/42/557614342.db2.gz LBOBDFANQGVBTB-UHFFFAOYSA-N 1 0 441.597 3.138 40 0 IGABRO Cc1c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000224533573 557617525 /nfs/dbraw/zinc/61/75/25/557617525.db2.gz ASBOODJJEAXPBR-UHFFFAOYSA-N 1 0 429.586 3.307 40 0 IGABRO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000224544857 557619948 /nfs/dbraw/zinc/61/99/48/557619948.db2.gz ZEUPKJHSZKRRMU-XLNRJJMWSA-N 1 0 425.529 3.297 40 0 IGABRO CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC000224636998 557634368 /nfs/dbraw/zinc/63/43/68/557634368.db2.gz BMKOIAXKHDPMON-UHFFFAOYSA-N 1 0 427.570 3.060 40 0 IGABRO CSc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1NC(C)=O ZINC000224640066 557634804 /nfs/dbraw/zinc/63/48/04/557634804.db2.gz MULONLGKPYLZDW-UHFFFAOYSA-N 1 0 433.599 3.441 40 0 IGABRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224665682 557638135 /nfs/dbraw/zinc/63/81/35/557638135.db2.gz NQDQEXCQWDVEPH-GOSISDBHSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1N(C)S(C)(=O)=O ZINC000224694593 557641220 /nfs/dbraw/zinc/64/12/20/557641220.db2.gz HFTUQDXGFRXTTH-UHFFFAOYSA-N 1 0 429.586 3.307 40 0 IGABRO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224783388 557651031 /nfs/dbraw/zinc/65/10/31/557651031.db2.gz JJLXRCKHFKFYKI-HSZRJFAPSA-N 1 0 443.613 3.452 40 0 IGABRO CCc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000224794249 557651935 /nfs/dbraw/zinc/65/19/35/557651935.db2.gz WDXIXVHJSQEVQA-IBGZPJMESA-N 1 0 443.613 3.316 40 0 IGABRO CSc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)cc1NC(C)=O ZINC000224804171 557653090 /nfs/dbraw/zinc/65/30/90/557653090.db2.gz UVERXLMDWLAVJL-UHFFFAOYSA-N 1 0 433.599 3.441 40 0 IGABRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000224844485 557658023 /nfs/dbraw/zinc/65/80/23/557658023.db2.gz WYSLAGWSOKZBPE-SFHVURJKSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cccc1N(C)S(C)(=O)=O ZINC000224848308 557658375 /nfs/dbraw/zinc/65/83/75/557658375.db2.gz LFDDLVKZLVJNEW-UHFFFAOYSA-N 1 0 429.586 3.307 40 0 IGABRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1N(C)S(C)(=O)=O ZINC000224848441 557658414 /nfs/dbraw/zinc/65/84/14/557658414.db2.gz UOASFESYUUNHJB-UHFFFAOYSA-N 1 0 429.586 3.307 40 0 IGABRO COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 ZINC000061997560 557829936 /nfs/dbraw/zinc/82/99/36/557829936.db2.gz ZXBPYNJHTIRHRM-NCBKUDCXSA-N 1 0 440.584 3.102 40 0 IGABRO COCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCC(Cc3ccccc3)CC2)no1 ZINC000015673423 560230664 /nfs/dbraw/zinc/23/06/64/560230664.db2.gz UCJKGUYISNRIGY-VXKWHMMOSA-N 1 0 425.573 3.461 40 0 biogenic,in-vitro IGABRO COC1(COc2cccc(Cl)c2)CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000585271623 568617853 /nfs/dbraw/zinc/61/78/53/568617853.db2.gz BCXPUEHFWTZYHE-UHFFFAOYSA-N 1 0 446.931 3.245 40 0 IGABRO Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000260902835 568628760 /nfs/dbraw/zinc/62/87/60/568628760.db2.gz WHKAUNDQVRISTG-HXUWFJFHSA-N 1 0 443.613 3.370 40 0 IGABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[N@@H+]2C)C1 ZINC000257223458 568675549 /nfs/dbraw/zinc/67/55/49/568675549.db2.gz DXLHWIRWAQYGSP-NHCUHLMSSA-N 1 0 437.588 3.262 40 0 IGABRO COc1cc(C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)ccc1OCC(N)=O ZINC000257231626 568679601 /nfs/dbraw/zinc/67/96/01/568679601.db2.gz GHNOJEBZHZTAMV-UHFFFAOYSA-N 1 0 447.539 3.473 40 0 IGABRO O=C(Cc1ccc(F)cc1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257292309 568707816 /nfs/dbraw/zinc/70/78/16/568707816.db2.gz QKXHOMVIKZVRKV-DGWZTRNLSA-N 1 0 440.559 3.058 40 0 IGABRO CC1CCN(c2ncc(C[N@@H+]3CC[C@H](c4c5cccnc5sc4C(N)=O)C3)cn2)CC1 ZINC000257308399 568714930 /nfs/dbraw/zinc/71/49/30/568714930.db2.gz TWPLRSIEVYRWAJ-KRWDZBQOSA-N 1 0 436.585 3.411 40 0 IGABRO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(OCc2ccccn2)c1 ZINC000257331586 568725210 /nfs/dbraw/zinc/72/52/10/568725210.db2.gz XTMZGIKUDCDIFC-RUZDIDTESA-N 1 0 430.552 3.093 40 0 IGABRO Cc1nonc1C(=O)NCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257341824 568729344 /nfs/dbraw/zinc/72/93/44/568729344.db2.gz ZMCSDVSXDGEPBF-GOSISDBHSA-N 1 0 448.527 3.269 40 0 IGABRO CNC(=O)c1sc2nc([C@@H]3CCCCN3C(=O)C[NH+]3CCCCCC3)ccc2c1N ZINC000257344857 568730423 /nfs/dbraw/zinc/73/04/23/568730423.db2.gz ZYXBIAZOKDOQGI-KRWDZBQOSA-N 1 0 429.590 3.168 40 0 IGABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257345053 568730758 /nfs/dbraw/zinc/73/07/58/568730758.db2.gz ZZTLQSYTOVNVIN-IBGZPJMESA-N 1 0 428.964 3.138 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccc(Cl)c4)C[C@H]2C3)cc1 ZINC000306123531 568762722 /nfs/dbraw/zinc/76/27/22/568762722.db2.gz APMOHXDHJZWFFQ-SJORKVTESA-N 1 0 437.931 3.497 40 0 IGABRO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccnn2-c2ccc(C)cc2)n2ccncc12 ZINC000306125319 568763811 /nfs/dbraw/zinc/76/38/11/568763811.db2.gz CMJTWNZETPUADQ-UHFFFAOYSA-N 1 0 431.544 3.352 40 0 IGABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129388 568765755 /nfs/dbraw/zinc/76/57/55/568765755.db2.gz IBSSISUPRXXHKY-BDYUSTAISA-N 1 0 442.563 3.491 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306130910 568766492 /nfs/dbraw/zinc/76/64/92/568766492.db2.gz JSIILKSMTNUHQN-NBGIEHNGSA-N 1 0 436.556 3.421 40 0 IGABRO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@H](C(=O)N(C)Cc2ccccc2)O3)s1 ZINC000306139009 568771038 /nfs/dbraw/zinc/77/10/38/568771038.db2.gz SNDCLJKBBGUGHF-HXUWFJFHSA-N 1 0 441.597 3.021 40 0 IGABRO Cc1nn2cnnc2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198518 568921604 /nfs/dbraw/zinc/92/16/04/568921604.db2.gz BFAURSZAVUNUMG-JXKFMYIUSA-N 1 0 434.588 3.095 40 0 IGABRO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)[nH]n1 ZINC000257198968 568921718 /nfs/dbraw/zinc/92/17/18/568921718.db2.gz NNOIQBMRUQNVGM-SZGVKKGVSA-N 1 0 434.588 3.462 40 0 IGABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)COC)c3ccccn3)C2)cc1OC ZINC000227305880 569183155 /nfs/dbraw/zinc/18/31/55/569183155.db2.gz JQVPKKZQZHOCJW-NTKDMRAZSA-N 1 0 427.545 3.205 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000248154913 569207326 /nfs/dbraw/zinc/20/73/26/569207326.db2.gz YOPAFSIOMFULCR-UYAOXDASSA-N 1 0 448.567 3.421 40 0 IGABRO Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000010277180 569222077 /nfs/dbraw/zinc/22/20/77/569222077.db2.gz STIBNAFADORAPK-UHFFFAOYSA-N 1 0 443.613 3.491 40 0 IGABRO CC(=O)N[C@H](C)c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000019458690 569226662 /nfs/dbraw/zinc/22/66/62/569226662.db2.gz BWLDJMQUHANBJD-AVIJNYRZSA-N 1 0 442.531 3.407 40 0 IGABRO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497855 569226829 /nfs/dbraw/zinc/22/68/29/569226829.db2.gz KZGJRDISBGFNIZ-KOSHJBKYSA-N 1 0 428.598 3.385 40 0 IGABRO CC(C)(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699872 569230914 /nfs/dbraw/zinc/23/09/14/569230914.db2.gz ZUVFQAUUTFOKII-HXUWFJFHSA-N 1 0 440.588 3.000 40 0 IGABRO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2C(=O)C[NH+]2CCCCCC2)cc1 ZINC000019713876 569235749 /nfs/dbraw/zinc/23/57/49/569235749.db2.gz ZBMISKLIDSZSNF-AKIFATBCSA-N 1 0 427.589 3.142 40 0 IGABRO CNC(=O)[C@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019739242 569236543 /nfs/dbraw/zinc/23/65/43/569236543.db2.gz IFJPZUNYFZEMHJ-QHCPKHFHSA-N 1 0 425.508 3.304 40 0 IGABRO Cc1nc(-c2ccc(CNC(=O)[C@H](Cc3ccccc3)[NH+]3CCCC3)cc2)ccc1C(N)=O ZINC000019700600 569327370 /nfs/dbraw/zinc/32/73/70/569327370.db2.gz SXUWUYHXAPYHFK-VWLOTQADSA-N 1 0 442.563 3.479 40 0 IGABRO COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)Nc3ccc(F)cc3)CC2)cs1 ZINC000225466385 291356750 /nfs/dbraw/zinc/35/67/50/291356750.db2.gz IQOVLLPLZXQHIN-GOSISDBHSA-N 1 0 448.564 3.409 40 0 biogenic,in-vitro IGABRO Fc1cccc(-c2ccnc(N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]CCCc3ccccc3)n2)c1 ZINC000005440675 291360858 /nfs/dbraw/zinc/36/08/58/291360858.db2.gz UXSITIAPEVMRHB-CJRSTVEYSA-N 1 0 434.515 3.452 40 0 biogenic,in-vitro IGABRO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000008635642 291361648 /nfs/dbraw/zinc/36/16/48/291361648.db2.gz QRTVVQHFSZPXSX-WRALFONMSA-N 1 0 436.575 3.088 40 0 biogenic,in-vitro IGABRO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)NCc3ccco3)cc2c1 ZINC000006196576 193891059 /nfs/dbraw/zinc/89/10/59/193891059.db2.gz NOZVVCZGKZTMHV-UHFFFAOYSA-N 1 0 442.585 3.348 40 0 IGABRO CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC000015357253 519633530 /nfs/dbraw/zinc/63/35/30/519633530.db2.gz PJLPOXUAEWUBCQ-UHFFFAOYSA-N 1 0 427.570 3.060 40 0 IGABRO CC(C)[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000072345804 519673126 /nfs/dbraw/zinc/67/31/26/519673126.db2.gz LAOOGHRXDHOGCD-QFIPXVFZSA-N 1 0 433.618 3.131 40 0 IGABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013674558 524892249 /nfs/dbraw/zinc/89/22/49/524892249.db2.gz GSIAFWAVLRZLGM-UHFFFAOYSA-N 1 0 429.586 3.101 40 0 IGABRO COc1cccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)c1 ZINC000036719538 525868598 /nfs/dbraw/zinc/86/85/98/525868598.db2.gz XERQPDOGPPSIMQ-XZOQPEGZSA-N 1 0 437.584 3.054 40 0 IGABRO COc1cc(C(=O)N2CCOC23CC[NH+](Cc2ccccc2)CC3)cc(OC)c1OC ZINC000001726848 555710878 /nfs/dbraw/zinc/71/08/78/555710878.db2.gz NKOIZCPMZYPAAD-UHFFFAOYSA-N 1 0 426.513 3.177 40 0 IGABRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000005986467 556071379 /nfs/dbraw/zinc/07/13/79/556071379.db2.gz VGEBQTXHXAHOKY-TZIWHRDSSA-N 1 0 447.560 3.491 40 0 IGABRO O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039768572 556437362 /nfs/dbraw/zinc/43/73/62/556437362.db2.gz BXFDKKKHDYAVLJ-UHFFFAOYSA-N 1 0 425.504 3.149 40 0 IGABRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(I)c1OCC(N)=O ZINC000036612912 556511383 /nfs/dbraw/zinc/51/13/83/556511383.db2.gz ZCGOLUYZZZLHOF-LBPRGKRZSA-N 1 0 440.281 3.015 40 0 IGABRO COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030941930 556516313 /nfs/dbraw/zinc/51/63/13/556516313.db2.gz BQSUKJGRTGIHSW-IBGZPJMESA-N 1 0 427.520 3.443 40 0 IGABRO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000044872557 556673286 /nfs/dbraw/zinc/67/32/86/556673286.db2.gz DWSZGNSKJBYMOW-QFIPXVFZSA-N 1 0 429.586 3.143 40 0 IGABRO Cc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1C ZINC000044873890 556673613 /nfs/dbraw/zinc/67/36/13/556673613.db2.gz NZHKPSSTXQJATF-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1NC(C)=O ZINC000019022157 556694003 /nfs/dbraw/zinc/69/40/03/556694003.db2.gz JQYYYIWQBBDJMZ-RTWAWAEBSA-N 1 0 426.513 3.038 40 0 IGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(NC(C)=O)cc3)CC1)O2 ZINC000019022383 556694177 /nfs/dbraw/zinc/69/41/77/556694177.db2.gz SHNUEUVSCLOXIN-FGZHOGPDSA-N 1 0 426.513 3.038 40 0 IGABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125198 556703249 /nfs/dbraw/zinc/70/32/49/556703249.db2.gz ZESWEVRIIIUSCH-SFTDATJTSA-N 1 0 425.525 3.459 40 0 IGABRO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(OCc2cccnc2)c1 ZINC000257302213 556717492 /nfs/dbraw/zinc/71/74/92/556717492.db2.gz SBZDGXCDYXJMNP-RUZDIDTESA-N 1 0 430.552 3.093 40 0 IGABRO O=C(C1CC[NH2+]CC1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 ZINC000019293999 556733516 /nfs/dbraw/zinc/73/35/16/556733516.db2.gz SYVALYAEULRUIR-UHFFFAOYSA-N 1 0 432.503 3.306 40 0 IGABRO O=C(c1ccc2c(c1)nc1n(c2=O)CC[N@H+](Cc2ccccc2)CC1)N1CCCCCC1 ZINC000019372412 556748632 /nfs/dbraw/zinc/74/86/32/556748632.db2.gz OLSBCJBYLSBFMB-UHFFFAOYSA-N 1 0 430.552 3.471 40 0 IGABRO CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(N(C)C)cc3)[nH]c2=O)C1 ZINC000019448343 556757610 /nfs/dbraw/zinc/75/76/10/556757610.db2.gz RSGZFYSHCFIBBT-JOCHJYFZSA-N 1 0 437.588 3.311 40 0 IGABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450073 556760929 /nfs/dbraw/zinc/76/09/29/556760929.db2.gz ACCRRMFSQMGPTM-ROUUACIJSA-N 1 0 429.515 3.095 40 0 IGABRO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn43)cc2)C1 ZINC000019496520 556769128 /nfs/dbraw/zinc/76/91/28/556769128.db2.gz MNQYEGKQWCPDKG-CQSZACIVSA-N 1 0 432.450 3.158 40 0 IGABRO CCCn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)cn1 ZINC000019526087 556783824 /nfs/dbraw/zinc/78/38/24/556783824.db2.gz ZQJHMCNQWVEMTO-NRFANRHFSA-N 1 0 438.576 3.457 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cc(OC)c1OC ZINC000019549743 556794650 /nfs/dbraw/zinc/79/46/50/556794650.db2.gz VNJZXHFMDUHTNN-SFHVURJKSA-N 1 0 442.560 3.166 40 0 IGABRO Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)cnn1C ZINC000019553350 556797205 /nfs/dbraw/zinc/79/72/05/556797205.db2.gz BLUBLLKWSQIERK-NRFANRHFSA-N 1 0 438.576 3.282 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCN(C(=O)C5CCCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555558 556798538 /nfs/dbraw/zinc/79/85/38/556798538.db2.gz PWAPWOHWSHSCBY-IBGZPJMESA-N 1 0 436.556 3.255 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(OC)c(OC)c3)CC1)C[C@H]2O ZINC000019563033 556803994 /nfs/dbraw/zinc/80/39/94/556803994.db2.gz SKKINYRCJFFMBT-WOJBJXKFSA-N 1 0 429.513 3.097 40 0 IGABRO COc1ccccc1C1(O)CC[NH+](Cc2cn(CC(=O)NC3CC3)c3ccccc23)CC1 ZINC000019569283 556809378 /nfs/dbraw/zinc/80/93/78/556809378.db2.gz FTCZTEATWGSFHL-UHFFFAOYSA-N 1 0 433.552 3.412 40 0 IGABRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)ccc1F ZINC000019570773 556811088 /nfs/dbraw/zinc/81/10/88/556811088.db2.gz KJBPVTALNJDOMI-FQEVSTJZSA-N 1 0 448.564 3.312 40 0 IGABRO COc1ccccc1OCC(=O)N1CCC(O)(C[N@@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC000019571366 556811585 /nfs/dbraw/zinc/81/15/85/556811585.db2.gz XJGTYPLHZATFLP-NRFANRHFSA-N 1 0 439.556 3.050 40 0 IGABRO Cc1noc(C)c1CC(=O)NC1CC[NH+](Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019580471 556818483 /nfs/dbraw/zinc/81/84/83/556818483.db2.gz VQWTVAZCFDCCMD-UHFFFAOYSA-N 1 0 425.508 3.154 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCCCOC ZINC000004133776 556819553 /nfs/dbraw/zinc/81/95/53/556819553.db2.gz WOPWWOBPIWDSTR-UHFFFAOYSA-N 1 0 432.634 3.200 40 0 IGABRO CCc1ccc2[nH]c(=O)c(CN(CCC[NH+](CC)CC)C(=S)NCCOC)cc2c1 ZINC000004162020 556820306 /nfs/dbraw/zinc/82/03/06/556820306.db2.gz NGOWMIIUIDFWJD-UHFFFAOYSA-N 1 0 432.634 3.145 40 0 IGABRO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4C(=O)C[NH+]4CCCC4)nc32)cc1 ZINC000019740784 556881713 /nfs/dbraw/zinc/88/17/13/556881713.db2.gz XREHVKZXKDFJTQ-QFIPXVFZSA-N 1 0 447.583 3.332 40 0 IGABRO CN(C)C(=O)c1cc([C@H]2CCN(C(=O)C3C[NH+](Cc4ccccc4)C3)C2)nc2ccccc21 ZINC000019756986 556901077 /nfs/dbraw/zinc/90/10/77/556901077.db2.gz ATOMZHDXONRVQF-FQEVSTJZSA-N 1 0 442.563 3.385 40 0 IGABRO Cc1nc(CC2CC[NH+](Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)cc(N2CCCC2)n1 ZINC000019758721 556902408 /nfs/dbraw/zinc/90/24/08/556902408.db2.gz DTAFGHXSDMBDIG-UHFFFAOYSA-N 1 0 434.588 3.030 40 0 IGABRO Cc1nc([C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763473 556908311 /nfs/dbraw/zinc/90/83/11/556908311.db2.gz CAMYTYOGSNQKON-JOCHJYFZSA-N 1 0 449.599 3.297 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(C)cc2)c1 ZINC000409060677 556937536 /nfs/dbraw/zinc/93/75/36/556937536.db2.gz SQURKYZGYLIDEP-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000409055773 556939166 /nfs/dbraw/zinc/93/91/66/556939166.db2.gz BBBXDKNDZVLJKG-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409061992 556939575 /nfs/dbraw/zinc/93/95/75/556939575.db2.gz LFKDITULBDBDJK-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409062591 556940121 /nfs/dbraw/zinc/94/01/21/556940121.db2.gz XHEWTXDQBYFQKQ-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409068056 556942609 /nfs/dbraw/zinc/94/26/09/556942609.db2.gz JXGXPBMDHJJPSV-WAUWHALJSA-O 1 0 432.475 3.159 40 0 IGABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)C[NH+](C)C)C1 ZINC000072391568 556962516 /nfs/dbraw/zinc/96/25/16/556962516.db2.gz LSGMRGOMIYZBTF-VWLOTQADSA-N 1 0 425.548 3.342 40 0 IGABRO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000020046322 556973330 /nfs/dbraw/zinc/97/33/30/556973330.db2.gz ONEXBLPMNLNDEP-BGYRXZFFSA-N 1 0 449.661 3.021 40 0 IGABRO CCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](CCc4cccs4)CC3)C2=O)cc1 ZINC000023375551 557088901 /nfs/dbraw/zinc/08/89/01/557088901.db2.gz BDTCLIVHPGCTFV-OAQYLSRUSA-N 1 0 427.570 3.029 40 0 IGABRO C[NH+](C)CCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000006198524 557150029 /nfs/dbraw/zinc/15/00/29/557150029.db2.gz PBXFOQZYODSDMK-UHFFFAOYSA-N 1 0 444.601 3.218 40 0 IGABRO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1cccs1)CC2 ZINC000096036914 557164167 /nfs/dbraw/zinc/16/41/67/557164167.db2.gz AOAGSRWXCVLPND-UHFFFAOYSA-N 1 0 442.610 3.378 40 0 IGABRO Cc1cccc(C(=O)N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC000096052897 557166094 /nfs/dbraw/zinc/16/60/94/557166094.db2.gz CHDQOCGRMNWCEA-FQEVSTJZSA-N 1 0 434.584 3.119 40 0 IGABRO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O ZINC000096144103 557171653 /nfs/dbraw/zinc/17/16/53/557171653.db2.gz PYLWKPLTXKGDOD-SANMLTNESA-N 1 0 447.583 3.450 40 0 IGABRO CCC(CC)C(=O)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCN(CC)C3=O)CC1 ZINC000096144404 557172362 /nfs/dbraw/zinc/17/23/62/557172362.db2.gz LGEVULHFWBVYTF-VWLOTQADSA-N 1 0 426.605 3.181 40 0 IGABRO Cc1nc(-c2nc(C(=O)NCC[NH+]3CCCC3)c3ccccn32)cn1Cc1ccccc1 ZINC000096155163 557179385 /nfs/dbraw/zinc/17/93/85/557179385.db2.gz WYGCFOJCHMANLZ-UHFFFAOYSA-N 1 0 428.540 3.380 40 0 IGABRO O=C(NCCc1cccnc1)c1ccc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096267510 557193236 /nfs/dbraw/zinc/19/32/36/557193236.db2.gz ZTCQUNLWNGPDKW-NRFANRHFSA-N 1 0 426.524 3.086 40 0 IGABRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)cc1 ZINC000585262112 557200857 /nfs/dbraw/zinc/20/08/57/557200857.db2.gz IRUMNSVUXXNLFA-SMIHKQSGSA-N 1 0 448.567 3.328 40 0 IGABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cncs1 ZINC000585262425 557201891 /nfs/dbraw/zinc/20/18/91/557201891.db2.gz AWRXILUXVIWTLH-WKDRNLAYSA-N 1 0 441.528 3.093 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1cc(Cl)c(Cl)cc1Cl ZINC000010450130 557221875 /nfs/dbraw/zinc/22/18/75/557221875.db2.gz NMRFDEVMAAZEFS-UHFFFAOYSA-N 1 0 442.796 3.015 40 0 IGABRO CC1CC[NH+](CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000010540812 557222235 /nfs/dbraw/zinc/22/22/35/557222235.db2.gz OQSNUEKHAOUDKR-UHFFFAOYSA-N 1 0 447.576 3.259 40 0 IGABRO O[C@H]1CC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cccc(F)c1F ZINC000585284937 557224384 /nfs/dbraw/zinc/22/43/84/557224384.db2.gz BCBJEBGWKZGYBW-UGZNWAIPSA-N 1 0 447.522 3.230 40 0 IGABRO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000010111280 557242588 /nfs/dbraw/zinc/24/25/88/557242588.db2.gz MLUFVPAFTACQJV-QGZVFWFLSA-N 1 0 430.014 3.185 40 0 IGABRO COc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)c(OC)c1 ZINC000219404300 557242754 /nfs/dbraw/zinc/24/27/54/557242754.db2.gz IOELBIXDWCREFJ-UHFFFAOYSA-N 1 0 436.512 3.282 40 0 IGABRO CC(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773652 557265799 /nfs/dbraw/zinc/26/57/99/557265799.db2.gz MBLBQAFIDLVYMS-XZOQPEGZSA-N 1 0 437.584 3.111 40 0 IGABRO CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000057773656 557265806 /nfs/dbraw/zinc/26/58/06/557265806.db2.gz MBLBQAFIDLVYMS-PKTZIBPZSA-N 1 0 437.584 3.111 40 0 IGABRO COc1ccc(CCn2nnnc2[C@H](C(C)C)N2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000022929977 557274718 /nfs/dbraw/zinc/27/47/18/557274718.db2.gz JTZZEVKLHRJYQM-QHCPKHFHSA-N 1 0 442.608 3.190 40 0 IGABRO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033714134 557351671 /nfs/dbraw/zinc/35/16/71/557351671.db2.gz DTKIXLBQVYIXOU-PLOUGOBLSA-N 1 0 435.911 3.388 40 0 IGABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccncc1 ZINC000223256887 557451510 /nfs/dbraw/zinc/45/15/10/557451510.db2.gz MPUCZENGZXJUND-GOTSBHOMSA-N 1 0 434.613 3.477 40 0 IGABRO COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223291358 557456227 /nfs/dbraw/zinc/45/62/27/557456227.db2.gz SDOIQXIGGONUQL-FGZHOGPDSA-N 1 0 449.580 3.193 40 0 IGABRO Cc1cc2ncn(CC3CC[NH+](CC(=O)NCc4ccc5c(c4)OCO5)CC3)c2cc1C ZINC000223810263 557516199 /nfs/dbraw/zinc/51/61/99/557516199.db2.gz YOSYHMFCAJJOFC-UHFFFAOYSA-N 1 0 434.540 3.410 40 0 IGABRO Cc1ccccc1N(CCCC(=O)NCCC[N@@H+]1CCc2ccccc2C1)S(C)(=O)=O ZINC000224138057 557565481 /nfs/dbraw/zinc/56/54/81/557565481.db2.gz VKNLDBYNTIDCRG-UHFFFAOYSA-N 1 0 443.613 3.106 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224544627 557619620 /nfs/dbraw/zinc/61/96/20/557619620.db2.gz ZVBCWSJUXFEJPR-LJQANCHMSA-N 1 0 439.622 3.012 40 0 IGABRO Cc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1 ZINC000224652856 557636246 /nfs/dbraw/zinc/63/62/46/557636246.db2.gz OFEWWKIGCCBEHL-UHFFFAOYSA-N 1 0 429.586 3.063 40 0 IGABRO Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000224771937 557650185 /nfs/dbraw/zinc/65/01/85/557650185.db2.gz NPENGEMVVMBWIP-IBGZPJMESA-N 1 0 429.586 3.062 40 0 IGABRO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCCC2)cc1OC ZINC000224791398 557651707 /nfs/dbraw/zinc/65/17/07/557651707.db2.gz DIKIHIOJVRGOKP-MNDPQUGUSA-N 1 0 443.569 3.138 40 0 IGABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc21 ZINC000224852654 557658997 /nfs/dbraw/zinc/65/89/97/557658997.db2.gz ATRXMXFOYGLSPB-UHFFFAOYSA-N 1 0 441.597 3.450 40 0 IGABRO O=c1sc2cc(S(=O)(=O)NCCC[NH+]3CCCCC3)ccc2n1Cc1ccccc1 ZINC000225744968 557772045 /nfs/dbraw/zinc/77/20/45/557772045.db2.gz ASWRJUGTMPBKJU-UHFFFAOYSA-N 1 0 445.610 3.266 40 0 IGABRO CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1NC(=O)C(C)C ZINC000225833307 557782916 /nfs/dbraw/zinc/78/29/16/557782916.db2.gz DENAQAUDQBGDSI-MRXNPFEDSA-N 1 0 427.636 3.403 40 0 IGABRO Cc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1 ZINC000260886192 568626958 /nfs/dbraw/zinc/62/69/58/568626958.db2.gz GPYNWJRCWWDUOW-LJQANCHMSA-N 1 0 429.586 3.062 40 0 IGABRO Cc1c(NC(=O)C[N@H+](C)[C@@H]2CC[C@@]3(C)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)cnn1C ZINC000257261034 568693458 /nfs/dbraw/zinc/69/34/58/568693458.db2.gz LFLYGFSXAIYBIA-CFYMNZCRSA-N 1 0 440.588 3.234 40 0 IGABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@H]2c2cncc(-n3ccnc3)n2)CC1 ZINC000257333754 568725904 /nfs/dbraw/zinc/72/59/04/568725904.db2.gz YCXOOINTFIJJSY-QFIPXVFZSA-N 1 0 448.546 3.420 40 0 IGABRO Cc1cc(Nc2nncs2)cc([C@@H]2CN(C(=O)CC[NH+]3CCC(C)CC3)CCO2)n1 ZINC000257343813 568730174 /nfs/dbraw/zinc/73/01/74/568730174.db2.gz ZUNICQPQSQQDPD-IBGZPJMESA-N 1 0 430.578 3.007 40 0 IGABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218622035 568761656 /nfs/dbraw/zinc/76/16/56/568761656.db2.gz JMWUNQBVJMMLDY-LNLFQRSKSA-N 1 0 428.337 3.441 40 0 IGABRO O=C(NC1CCCCC1)c1nnc2n1CC1(CC[NH+](Cc3cccs3)CC1)COC2 ZINC000306129549 568765662 /nfs/dbraw/zinc/76/56/62/568765662.db2.gz IGSWKJBVCXEMOY-UHFFFAOYSA-N 1 0 429.590 3.215 40 0 IGABRO CC[C@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccc(Cl)c3)CC1)COC2 ZINC000306136487 568769446 /nfs/dbraw/zinc/76/94/46/568769446.db2.gz PUUARUOBVIOXFU-INIZCTEOSA-N 1 0 431.968 3.272 40 0 IGABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136249 568769471 /nfs/dbraw/zinc/76/94/71/568769471.db2.gz POCBJZOMCURPJB-BDYUSTAISA-N 1 0 443.547 3.487 40 0 IGABRO CCc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137484 568770060 /nfs/dbraw/zinc/77/00/60/568770060.db2.gz QXMUHQAWHPXKMZ-VPUSJEBWSA-N 1 0 442.563 3.436 40 0 IGABRO CCc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137482 568770261 /nfs/dbraw/zinc/77/02/61/568770261.db2.gz QXMUHQAWHPXKMZ-AHKZPQOWSA-N 1 0 442.563 3.436 40 0 IGABRO C[NH+](C)CCNc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328981956 568808318 /nfs/dbraw/zinc/80/83/18/568808318.db2.gz GXBUXOYRNDLHLZ-UHFFFAOYSA-N 1 0 431.462 3.472 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccncc2)n1 ZINC000329016408 568809431 /nfs/dbraw/zinc/80/94/31/568809431.db2.gz NFTKBYMMORDBBC-UHFFFAOYSA-N 1 0 432.450 3.388 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000329046646 568810345 /nfs/dbraw/zinc/81/03/45/568810345.db2.gz UCTXZERJSFOQFI-UHFFFAOYSA-N 1 0 432.288 3.077 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2cccc(O)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329070517 568811272 /nfs/dbraw/zinc/81/12/72/568811272.db2.gz ZHDKBDKRHPHNRG-UHFFFAOYSA-N 1 0 433.434 3.309 40 0 IGABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000019694780 569229222 /nfs/dbraw/zinc/22/92/22/569229222.db2.gz IINDEGODMIBJBJ-LJQANCHMSA-N 1 0 449.530 3.316 40 0 IGABRO CC(=O)N1C[C@H](C(=O)Nc2ncc(-c3ccccc3)n2C)[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019699254 569230419 /nfs/dbraw/zinc/23/04/19/569230419.db2.gz HSTXIMNXCSIGIP-PKTZIBPZSA-N 1 0 445.567 3.349 40 0 IGABRO CCC(CC)C(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699471 569230556 /nfs/dbraw/zinc/23/05/56/569230556.db2.gz ATNIKOPIERNWDX-UHFFFAOYSA-N 1 0 440.588 3.000 40 0 IGABRO Cc1nn(C)cc1S(=O)(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000019711730 569234866 /nfs/dbraw/zinc/23/48/66/569234866.db2.gz JWXNYWFNLAVRNR-PUHATCMVSA-N 1 0 430.618 3.367 40 0 IGABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)Cn3nc(C(F)(F)F)nc3N)cc2)C1 ZINC000019711829 569235046 /nfs/dbraw/zinc/23/50/46/569235046.db2.gz OLWPTSMHJNTEHD-CVEARBPZSA-N 1 0 440.470 3.080 40 0 IGABRO Cc1noc(C)c1COc1ccc(C[N@@H+]2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1 ZINC000019763689 569238050 /nfs/dbraw/zinc/23/80/50/569238050.db2.gz OMLTYISUNYSEOJ-IBGZPJMESA-N 1 0 435.528 3.447 40 0 IGABRO Cc1nc([C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763469 569238103 /nfs/dbraw/zinc/23/81/03/569238103.db2.gz NXTOHNXPIZCPFJ-JOCHJYFZSA-N 1 0 449.599 3.153 40 0 IGABRO COc1ccc([C@@]2(O)C[N+](c3c(C)n(C)n(-c4ccccc4)c3=O)=C3CCCCCN32)cc1 ZINC000027525031 569262972 /nfs/dbraw/zinc/26/29/72/569262972.db2.gz REMVYUHTPZYPED-SANMLTNESA-N 1 0 447.559 3.143 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218660794 569459014 /nfs/dbraw/zinc/45/90/14/569459014.db2.gz ZFRBBAVBSOTKFN-WOIUINJBSA-N 1 0 434.533 3.296 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218660866 569459016 /nfs/dbraw/zinc/45/90/16/569459016.db2.gz ZFRBBAVBSOTKFN-XQBPLPMBSA-N 1 0 434.533 3.296 40 0 IGABRO OC1(c2csc(CN3CCOCC3)n2)CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000225424064 291363948 /nfs/dbraw/zinc/36/39/48/291363948.db2.gz YTUNMQVGZWKUDK-UHFFFAOYSA-N 1 0 441.519 3.478 40 0 biogenic,in-vitro IGABRO Cc1cc2cc(CN(Cc3cccnc3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2cc1C ZINC000006194724 193890383 /nfs/dbraw/zinc/89/03/83/193890383.db2.gz KVGXUFZNCORLJR-UHFFFAOYSA-N 1 0 437.613 3.368 40 0 IGABRO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000036055842 519730656 /nfs/dbraw/zinc/73/06/56/519730656.db2.gz FXWWUJWKYUULRA-TWRVUUBYSA-N 1 0 429.586 3.229 40 0 IGABRO CC1=C[C@@H](C[NH+]2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442648 520880531 /nfs/dbraw/zinc/88/05/31/520880531.db2.gz VAABRQRSPVXVNN-VABKMULXSA-N 1 0 439.604 3.139 40 0 biogenic,in-vitro IGABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000035375195 522105364 /nfs/dbraw/zinc/10/53/64/522105364.db2.gz NUXASOIAYFNQAH-OJLNUFHDSA-N 1 0 437.927 3.102 40 0 IGABRO COc1cc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc(OC)c1 ZINC000012186607 522370895 /nfs/dbraw/zinc/37/08/95/522370895.db2.gz YMMVYKDSLZRIMQ-UHFFFAOYSA-N 1 0 441.553 3.016 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2cc(C)cc(C)c2)cc1 ZINC000013649480 556545227 /nfs/dbraw/zinc/54/52/27/556545227.db2.gz ZGIMDWNYNNUYHA-UHFFFAOYSA-N 1 0 443.613 3.409 40 0 IGABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000013669794 556550771 /nfs/dbraw/zinc/55/07/71/556550771.db2.gz PIIXKOUIUDIHHI-UHFFFAOYSA-N 1 0 427.998 3.120 40 0 IGABRO Cc1ccc(C)c(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000044873715 556673743 /nfs/dbraw/zinc/67/37/43/556673743.db2.gz KCVRFKJJISKBTM-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)C1 ZINC000044902061 556678242 /nfs/dbraw/zinc/67/82/42/556678242.db2.gz PRVHUJNHUUWZFW-PMACEKPBSA-N 1 0 435.634 3.100 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(NC(C)=O)cc3)CC1)C[C@@H]2O ZINC000019022400 556694237 /nfs/dbraw/zinc/69/42/37/556694237.db2.gz KMHGFBIUWBSCGT-VXKWHMMOSA-N 1 0 426.513 3.038 40 0 IGABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125187 556702898 /nfs/dbraw/zinc/70/28/98/556702898.db2.gz ZESWEVRIIIUSCH-NHCUHLMSSA-N 1 0 425.525 3.459 40 0 IGABRO COc1ccc(C)cc1C[N@@H+]1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019133583 556705018 /nfs/dbraw/zinc/70/50/18/556705018.db2.gz UMULEDJKCNZKJT-SFTDATJTSA-N 1 0 437.588 3.088 40 0 IGABRO CC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCC4(CC3)C[C@H](O)c3cc(C)ccc3O4)ccc21 ZINC000019219283 556713763 /nfs/dbraw/zinc/71/37/63/556713763.db2.gz HKWGJUCCEGLSEC-ZEQRLZLVSA-N 1 0 436.552 3.288 40 0 IGABRO Cc1ccn(C[C@@H](C)C(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1 ZINC000019238010 556722717 /nfs/dbraw/zinc/72/27/17/556722717.db2.gz KQGWUDUZSDHGDP-QGZVFWFLSA-N 1 0 438.551 3.148 40 0 IGABRO O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019333179 556737818 /nfs/dbraw/zinc/73/78/18/556737818.db2.gz ZCANZVRZDWUAHD-SFHVURJKSA-N 1 0 438.547 3.158 40 0 IGABRO O=C(Cc1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019348047 556743604 /nfs/dbraw/zinc/74/36/04/556743604.db2.gz LSHLHBLACLNXNC-GOSISDBHSA-N 1 0 438.547 3.158 40 0 IGABRO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)Cc3ccc4c(c3)CCCO4)C2)OC1 ZINC000575403729 556745903 /nfs/dbraw/zinc/74/59/03/556745903.db2.gz JZXVASXBJXFGIE-JOCHJYFZSA-N 1 0 435.568 3.089 40 0 IGABRO O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019370651 556748140 /nfs/dbraw/zinc/74/81/40/556748140.db2.gz AWJYYSSSFYLBKL-FQEVSTJZSA-N 1 0 434.584 3.409 40 0 IGABRO O=C(Cc1ccsc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019406418 556755024 /nfs/dbraw/zinc/75/50/24/556755024.db2.gz YZPGKWFDVDVWAD-KRWDZBQOSA-N 1 0 426.586 3.081 40 0 IGABRO COc1ccccc1C[N@@H+]1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 ZINC000019450128 556761044 /nfs/dbraw/zinc/76/10/44/556761044.db2.gz IKGOFXVTEGMJDS-SFTDATJTSA-N 1 0 437.588 3.216 40 0 IGABRO CC1CC[NH+](CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn43)cc2)CC1 ZINC000019496886 556769119 /nfs/dbraw/zinc/76/91/19/556769119.db2.gz NHVAEIPBPWZOQY-UHFFFAOYSA-N 1 0 432.450 3.158 40 0 IGABRO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 ZINC000019501582 556772918 /nfs/dbraw/zinc/77/29/18/556772918.db2.gz ZWMMPHZPOCLCEG-MRXNPFEDSA-N 1 0 430.499 3.113 40 0 IGABRO CCN(Cc1ccc(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)o1)S(C)(=O)=O ZINC000019526601 556784920 /nfs/dbraw/zinc/78/49/20/556784920.db2.gz CFSOLNPQPGXMPE-UHFFFAOYSA-N 1 0 445.629 3.219 40 0 IGABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2cncn2C)C1 ZINC000019530075 556791299 /nfs/dbraw/zinc/79/12/99/556791299.db2.gz LBYJGURMPUJQAJ-REWPJTCUSA-N 1 0 428.508 3.288 40 0 IGABRO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccccc4-n4cccn4)C[C@@H]32)c(OCC)n1 ZINC000019531785 556792353 /nfs/dbraw/zinc/79/23/53/556792353.db2.gz FOODMDJOYGDWAH-QLWBXOBMSA-N 1 0 449.555 3.189 40 0 IGABRO Cc1c(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccc(F)cc2)CN3C(=O)c2cccnc2)cnn1C ZINC000019553750 556797588 /nfs/dbraw/zinc/79/75/88/556797588.db2.gz LKPRSURGACAUEI-HJOGWXRNSA-N 1 0 433.531 3.393 40 0 IGABRO Cc1nn(CC(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)c(C)c1C ZINC000019556608 556799303 /nfs/dbraw/zinc/79/93/03/556799303.db2.gz MJVSUZSGDWUAPJ-UHFFFAOYSA-N 1 0 438.551 3.129 40 0 IGABRO COc1c(C[N@@H+]2CC[C@@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)c(C)nn1C ZINC000019577934 556815475 /nfs/dbraw/zinc/81/54/75/556815475.db2.gz FHEOIFBQAOCFRZ-SANMLTNESA-N 1 0 447.583 3.322 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=S)NC[C@H]1CCCO1 ZINC000004133650 556819566 /nfs/dbraw/zinc/81/95/66/556819566.db2.gz ZHUOZEBNUNYRGO-HXUWFJFHSA-N 1 0 430.618 3.034 40 0 IGABRO COc1ccc(CN2CCc3nc(-c4ccncc4)nc(N(C)CC[NH+](C)C)c3C2)cc1 ZINC000019582491 556820356 /nfs/dbraw/zinc/82/03/56/556820356.db2.gz JZEMOPABBKVNEQ-UHFFFAOYSA-N 1 0 432.572 3.103 40 0 IGABRO CCCCNC(=S)N(CC[NH+]1CCCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000004162126 556820643 /nfs/dbraw/zinc/82/06/43/556820643.db2.gz FGVAJEGCVBEXSV-UHFFFAOYSA-N 1 0 430.618 3.499 40 0 IGABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2NC(=O)c2cn(C)nc2C)cc1OC ZINC000019583646 556821016 /nfs/dbraw/zinc/82/10/16/556821016.db2.gz NIGZQOHOVDLHKE-YADHBBJMSA-N 1 0 434.540 3.144 40 0 IGABRO Cc1nn(C)cc1C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 ZINC000019583888 556821387 /nfs/dbraw/zinc/82/13/87/556821387.db2.gz WUVBQCHVFQVCFQ-HJOGWXRNSA-N 1 0 433.531 3.393 40 0 IGABRO CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CCC[NH+](C)C)cc1 ZINC000006074144 556827955 /nfs/dbraw/zinc/82/79/55/556827955.db2.gz PGKTVPWRGRIRQV-UHFFFAOYSA-N 1 0 438.557 3.225 40 0 IGABRO CC(C)N(C(=O)CN(C)Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)C)n1)C1CCCCC1 ZINC000019709961 556871682 /nfs/dbraw/zinc/87/16/82/556871682.db2.gz ZDXDAGKPGSHUDR-LJQANCHMSA-N 1 0 430.641 3.011 40 0 IGABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2)n1 ZINC000019710045 556871959 /nfs/dbraw/zinc/87/19/59/556871959.db2.gz OFOGQWJFUHDSPQ-SFHVURJKSA-N 1 0 439.604 3.345 40 0 IGABRO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(NCCCN(C)c3ccccc3)c2C1 ZINC000019711330 556875727 /nfs/dbraw/zinc/87/57/27/556875727.db2.gz IXHKJUNEHUKDRT-FQEVSTJZSA-N 1 0 436.604 3.129 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019741732 556884787 /nfs/dbraw/zinc/88/47/87/556884787.db2.gz HNLXPLKYMBKKOK-NRFANRHFSA-N 1 0 435.572 3.270 40 0 IGABRO O=C(Cn1cccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)c1=O)NC1CCCCC1 ZINC000019750155 556894350 /nfs/dbraw/zinc/89/43/50/556894350.db2.gz BVWPHAYSMBROMN-UHFFFAOYSA-N 1 0 436.556 3.145 40 0 IGABRO O=C(C[NH+]1CCCC1)N1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019761364 556904813 /nfs/dbraw/zinc/90/48/13/556904813.db2.gz CNQWLCCBMHGVLU-MRXNPFEDSA-N 1 0 435.553 3.355 40 0 IGABRO COc1cccc(CNC(=O)c2ccc(C3CC[NH+](Cc4ccncc4)CC3)nc2N)c1 ZINC000019766360 556911607 /nfs/dbraw/zinc/91/16/07/556911607.db2.gz UDXJFWRKTBNONY-UHFFFAOYSA-N 1 0 431.540 3.377 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1 ZINC000409052145 556933393 /nfs/dbraw/zinc/93/33/93/556933393.db2.gz BXZITQFICAQWQC-OLMNJFBISA-O 1 0 428.512 3.410 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409056289 556934278 /nfs/dbraw/zinc/93/42/78/556934278.db2.gz CGCCXPJXJJDXEY-WAUWHALJSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3cccc(OC)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409056836 556934466 /nfs/dbraw/zinc/93/44/66/556934466.db2.gz OIBRURBSQUIIJT-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccc(C)cc1 ZINC000409059551 556936872 /nfs/dbraw/zinc/93/68/72/556936872.db2.gz RZVYGYKZOBGOTG-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 ZINC000409061636 556939414 /nfs/dbraw/zinc/93/94/14/556939414.db2.gz YUMZFNRITCMDFJ-LOSJGSFVSA-O 1 0 441.555 3.386 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409061995 556939610 /nfs/dbraw/zinc/93/96/10/556939610.db2.gz LFKDITULBDBDJK-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000409062285 556939950 /nfs/dbraw/zinc/93/99/50/556939950.db2.gz RIGMMLSQMDHBAE-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409060951 556943078 /nfs/dbraw/zinc/94/30/78/556943078.db2.gz AOBDAHCHYPKSCQ-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000019932565 556949306 /nfs/dbraw/zinc/94/93/06/556949306.db2.gz QWPPFYDIHGWGDC-QHCPKHFHSA-N 1 0 449.661 3.308 40 0 IGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cc(C)c(O)c(C)c4)C[C@H]32)c(OCC)n1 ZINC000072392654 556963961 /nfs/dbraw/zinc/96/39/61/556963961.db2.gz YSDIMBGDEAEIGI-MFSJNOQSSA-N 1 0 427.545 3.326 40 0 IGABRO COc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1CC(O)(Cn1nc(C4CC4)ccc1=O)C3)CCC2 ZINC000072394967 556966356 /nfs/dbraw/zinc/96/63/56/556966356.db2.gz WYFVYHHKDRPTBK-KMXBQNHCSA-N 1 0 435.568 3.176 40 0 IGABRO Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000072398785 556970608 /nfs/dbraw/zinc/97/06/08/556970608.db2.gz LSKBLZOGCTWWSS-YCRPNKLZSA-N 1 0 440.592 3.385 40 0 IGABRO COc1ncc(C[N@@H+]2C[C@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)cc1C ZINC000585101993 557035508 /nfs/dbraw/zinc/03/55/08/557035508.db2.gz SOJYSVPNEWVRGV-LJQANCHMSA-N 1 0 437.531 3.275 40 0 IGABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000021595775 557155242 /nfs/dbraw/zinc/15/52/42/557155242.db2.gz OURSBNFMPZZPOW-UHFFFAOYSA-N 1 0 425.529 3.366 40 0 IGABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 ZINC000096242214 557185967 /nfs/dbraw/zinc/18/59/67/557185967.db2.gz FLZCSIBVGGBFCC-IBGZPJMESA-N 1 0 425.598 3.477 40 0 IGABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)Nc2cccnc2C)Cn2ccnc23)cc1 ZINC000096243873 557188284 /nfs/dbraw/zinc/18/82/84/557188284.db2.gz XGMIAKXVTJIHJV-JOCHJYFZSA-N 1 0 431.540 3.424 40 0 IGABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](CC(=O)NCCOc3ccccc3)CC2)c1 ZINC000585274206 557218467 /nfs/dbraw/zinc/21/84/67/557218467.db2.gz UECXWWLBOWEWJR-DEOSSOPVSA-N 1 0 446.975 3.439 40 0 IGABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCC(c3ccccc3)CC2)[C@@H](O)C1 ZINC000585283079 557222368 /nfs/dbraw/zinc/22/23/68/557222368.db2.gz BLNBFTHEYNTXPW-UPVQGACJSA-N 1 0 428.960 3.158 40 0 IGABRO O[C@@]1(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287314 557224212 /nfs/dbraw/zinc/22/42/12/557224212.db2.gz MKOCUEIEBORZGA-DCEDVJGZSA-N 1 0 447.522 3.496 40 0 IGABRO O[C@@H](Cn1c2ccccc2c2cc(I)ccc21)C[NH+]1CCOCC1 ZINC000027489710 557262779 /nfs/dbraw/zinc/26/27/79/557262779.db2.gz JNRMRZFZCXXZNY-OAHLLOKOSA-N 1 0 436.293 3.092 40 0 IGABRO CCOc1ccc(C[NH+]2CCC([C@H](NC(=O)COC)c3ccccn3)CC2)cc1OC ZINC000057773992 557263742 /nfs/dbraw/zinc/26/37/42/557263742.db2.gz XIDQQCBTBYRSAS-DEOSSOPVSA-N 1 0 427.545 3.205 40 0 IGABRO COc1ccc(OC)c([C@@H](c2nnnn2CCC(C)C)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000022929838 557274230 /nfs/dbraw/zinc/27/42/30/557274230.db2.gz ZIGJDLSZTGHLLT-QHCPKHFHSA-N 1 0 442.608 3.386 40 0 IGABRO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000033821858 557377201 /nfs/dbraw/zinc/37/72/01/557377201.db2.gz RCTJTKDCQITONR-JLZZUVOBSA-N 1 0 448.416 3.236 40 0 IGABRO CC(C)C[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000019446895 557499363 /nfs/dbraw/zinc/49/93/63/557499363.db2.gz WUCCWZCMVQMUMF-FQEVSTJZSA-N 1 0 426.565 3.098 40 0 IGABRO COc1cccc([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCC3)CC2)c1OC ZINC000020139816 557515764 /nfs/dbraw/zinc/51/57/64/557515764.db2.gz VNHPEFFCHZTJPT-FQEVSTJZSA-N 1 0 428.581 3.095 40 0 IGABRO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1 ZINC000224652936 557636222 /nfs/dbraw/zinc/63/62/22/557636222.db2.gz WECUNAVMYMHQAQ-UHFFFAOYSA-N 1 0 429.586 3.063 40 0 IGABRO CC(C)c1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000224764839 557649228 /nfs/dbraw/zinc/64/92/28/557649228.db2.gz YQLUWQPIZWGEHX-UHFFFAOYSA-N 1 0 443.613 3.488 40 0 IGABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCC3)ccc21 ZINC000224803578 557653073 /nfs/dbraw/zinc/65/30/73/557653073.db2.gz FJPGPQUSOMRTPC-UHFFFAOYSA-N 1 0 427.570 3.060 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000225480524 557727850 /nfs/dbraw/zinc/72/78/50/557727850.db2.gz BWJXJEJWLIVTJL-OAQYLSRUSA-N 1 0 435.634 3.167 40 0 IGABRO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CN(C(=O)c1cc3cc(F)ccc3n1C)CC2 ZINC000257206265 568667862 /nfs/dbraw/zinc/66/78/62/568667862.db2.gz BCQMNNYRPVMQQR-YMVVMYQSSA-N 1 0 448.542 3.341 40 0 IGABRO CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)C1CCCCC1 ZINC000257248046 568687463 /nfs/dbraw/zinc/68/74/63/568687463.db2.gz JBUGEMIXPGUMEC-LJQANCHMSA-N 1 0 429.609 3.396 40 0 IGABRO Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@@H]3Cc2ccccc2)c(=O)n1 ZINC000257288036 568705862 /nfs/dbraw/zinc/70/58/62/568705862.db2.gz PSNQFYZVUIXQMP-KLWMKENUSA-N 1 0 448.611 3.335 40 0 IGABRO C[N@H+](CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000257300933 568711532 /nfs/dbraw/zinc/71/15/32/568711532.db2.gz RWHILCQTPMFYAT-LUKWVAJMSA-N 1 0 441.572 3.420 40 0 IGABRO Cn1cnc(S(=O)(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@@H]3Cc2ccccc2)c1 ZINC000257305135 568713589 /nfs/dbraw/zinc/71/35/89/568713589.db2.gz SONYMVHJJNSGTH-HVJVJISESA-N 1 0 428.602 3.057 40 0 IGABRO Cc1nn(C)c(C)c1CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257310055 568715474 /nfs/dbraw/zinc/71/54/74/568715474.db2.gz UDMWHEBOHORBBN-GNKBHMEESA-N 1 0 438.616 3.033 40 0 IGABRO Cc1ccccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257332162 568725160 /nfs/dbraw/zinc/72/51/60/568725160.db2.gz XVZVDQBEXNHMIG-KLJDGLGGSA-N 1 0 435.612 3.214 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccccc1F)C[C@H]2c1cccnc1 ZINC000306129701 568765855 /nfs/dbraw/zinc/76/58/55/568765855.db2.gz IKJLMXRKKDDTFB-WIOPSUGQSA-N 1 0 432.499 3.013 40 0 IGABRO CCc1ccc(C[NH+]2CCC3(CC2)COCc2nnc(C(=O)N[C@H](C)CC)n2C3)cc1 ZINC000306134318 568768481 /nfs/dbraw/zinc/76/84/81/568768481.db2.gz NIWDDFHDAMGQAP-GOSISDBHSA-N 1 0 425.577 3.181 40 0 IGABRO C[NH+](C)CCNc1nc(NCc2ccccc2Br)cc(-c2ccccc2)n1 ZINC000328980445 568808297 /nfs/dbraw/zinc/80/82/97/568808297.db2.gz GNPBPRYNVONGCK-UHFFFAOYSA-N 1 0 426.362 3.336 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccncc2)n1 ZINC000328998002 568808856 /nfs/dbraw/zinc/80/88/56/568808856.db2.gz JRDZOJKIBUFKTK-UHFFFAOYSA-N 1 0 431.313 3.001 40 0 IGABRO Cc1c(Br)cccc1Nc1cc(-c2cccnc2)nc(NCC[NH+](C)C)n1 ZINC000329013604 568809309 /nfs/dbraw/zinc/80/93/09/568809309.db2.gz MREQLTOMWHYWET-UHFFFAOYSA-N 1 0 427.350 3.170 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccccn2)n1 ZINC000329050027 568810473 /nfs/dbraw/zinc/81/04/73/568810473.db2.gz URPMDVCIGDUQOJ-UHFFFAOYSA-N 1 0 441.377 3.121 40 0 IGABRO O=C(COc1ccc2c(c1)NC(=O)CC2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198778 568921704 /nfs/dbraw/zinc/92/17/04/568921704.db2.gz IBWLJIVHSUCLKY-ABALZIDYSA-N 1 0 435.568 3.372 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c1F ZINC000247930600 569206535 /nfs/dbraw/zinc/20/65/35/569206535.db2.gz ROFWNZLTZRLYSD-QTGUNEKASA-N 1 0 427.520 3.478 40 0 IGABRO CCCc1ncc(C[N@@H+]2CCC[C@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1 ZINC000247938918 569206569 /nfs/dbraw/zinc/20/65/69/569206569.db2.gz MGBAIOHIBLFTJH-GBXCKJPGSA-N 1 0 438.572 3.459 40 0 IGABRO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000253616935 569209243 /nfs/dbraw/zinc/20/92/43/569209243.db2.gz UPMMZHMPCFECTR-NZQKXSOJSA-N 1 0 447.587 3.474 40 0 IGABRO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4cnc(OC)nc4OC)[C@H]3C2)c(C)c1C ZINC000019577268 569226977 /nfs/dbraw/zinc/22/69/77/569226977.db2.gz VNBRLJQQUNOKSN-VAXXYWNWSA-N 1 0 427.545 3.239 40 0 IGABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)C[NH+]2CCCCCC2)cc1 ZINC000019713204 569235543 /nfs/dbraw/zinc/23/55/43/569235543.db2.gz OWKXCGXYEREPIU-PKTZIBPZSA-N 1 0 427.589 3.443 40 0 IGABRO CN(C)c1cc(CN(C)C(=O)c2csc(Cc3ccccc3)n2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760081 569237585 /nfs/dbraw/zinc/23/75/85/569237585.db2.gz QJMWZUPNGMRINI-GOSISDBHSA-N 1 0 436.585 3.287 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218658218 569458971 /nfs/dbraw/zinc/45/89/71/569458971.db2.gz XNGNUZWPYJRASA-XQBPLPMBSA-N 1 0 434.533 3.296 40 0 IGABRO CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)C3(C)CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000585261994 569583245 /nfs/dbraw/zinc/58/32/45/569583245.db2.gz VPBBTKRWGCUPJV-MHZLTWQESA-N 1 0 449.643 4.052 40 0 IGABRO CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C3(C)CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000585261993 569583246 /nfs/dbraw/zinc/58/32/46/569583246.db2.gz VPBBTKRWGCUPJV-HHHXNRCGSA-N 1 0 449.643 4.052 40 0 IGABRO CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](CCCc2ccccc2)C1 ZINC000003841360 291355213 /nfs/dbraw/zinc/35/52/13/291355213.db2.gz MISWKASWPUTUPT-VQTJNVASSA-N 1 0 429.586 3.052 40 0 biogenic,in-vitro IGABRO COc1ccc2cc(CN(CCC[NH+](C)C)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000006198481 193891770 /nfs/dbraw/zinc/89/17/70/193891770.db2.gz SSECUHIGMKMHGN-UHFFFAOYSA-N 1 0 438.597 3.365 40 0 IGABRO CCOC(=O)c1cnn2c1N[C@@H]([C@H]1CCC[N@H+](CC3=CCCOC3)C1)C[C@H]2C(F)(F)F ZINC000012181555 521581234 /nfs/dbraw/zinc/58/12/34/521581234.db2.gz JBWYLQVFVFOEEP-JQHSSLGASA-N 1 0 442.482 3.406 40 0 IGABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000035374925 522105725 /nfs/dbraw/zinc/10/57/25/522105725.db2.gz YSPSKCBBAZTUPG-ITIYDSSPSA-N 1 0 437.927 3.102 40 0 IGABRO O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1c[nH]c2ccccc12 ZINC000020463773 527679936 /nfs/dbraw/zinc/67/99/36/527679936.db2.gz MDSXLKYRMNOMNR-KUDLYRENSA-N 1 0 447.579 3.065 40 0 biogenic,in-vitro IGABRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000008955514 556236496 /nfs/dbraw/zinc/23/64/96/556236496.db2.gz VGEBQTXHXAHOKY-FPOVZHCZSA-N 1 0 447.560 3.491 40 0 IGABRO Cc1ccccc1N(CC(=O)NCCC[NH+]1CCC(C)CC1)S(=O)(=O)c1ccccc1 ZINC000013668926 556549565 /nfs/dbraw/zinc/54/95/65/556549565.db2.gz ATXKXMNGYDVYAJ-UHFFFAOYSA-N 1 0 443.613 3.429 40 0 IGABRO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000013669061 556549781 /nfs/dbraw/zinc/54/97/81/556549781.db2.gz BBPKVACWZYJNGX-KRWDZBQOSA-N 1 0 430.014 3.041 40 0 IGABRO CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000013679751 556556071 /nfs/dbraw/zinc/55/60/71/556556071.db2.gz ZJXFIANJCAWYAK-UHFFFAOYSA-N 1 0 447.576 3.398 40 0 IGABRO Cc1cccc(C)c1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000044873860 556673649 /nfs/dbraw/zinc/67/36/49/556673649.db2.gz JPNVEQDADDAICU-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1NC(C)=O ZINC000019022154 556694008 /nfs/dbraw/zinc/69/40/08/556694008.db2.gz NPBYOONDNRFLRE-LEWJYISDSA-N 1 0 444.503 3.177 40 0 IGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1NC(C)=O ZINC000019022148 556694014 /nfs/dbraw/zinc/69/40/14/556694014.db2.gz NPBYOONDNRFLRE-NHCUHLMSSA-N 1 0 444.503 3.177 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(NC(C)=O)cc3)CC1)C[C@@H]2O ZINC000019022395 556694201 /nfs/dbraw/zinc/69/42/01/556694201.db2.gz KMHGFBIUWBSCGT-FCHUYYIVSA-N 1 0 426.513 3.038 40 0 IGABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCCOc2ccccc2)CC1 ZINC000257343277 556709592 /nfs/dbraw/zinc/70/95/92/556709592.db2.gz ZSGLXNNVJVDZRA-DEOSSOPVSA-N 1 0 430.520 3.271 40 0 IGABRO CC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)c(OCC(N)=O)c1 ZINC000257239700 556710332 /nfs/dbraw/zinc/71/03/32/556710332.db2.gz HQJXWEPCQNGPIV-DHLKQENFSA-N 1 0 444.547 3.392 40 0 IGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1NC(C)=O ZINC000019219221 556713811 /nfs/dbraw/zinc/71/38/11/556713811.db2.gz WYPAEGFSYRESBY-FCHUYYIVSA-N 1 0 440.540 3.346 40 0 IGABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)n1 ZINC000019236232 556720807 /nfs/dbraw/zinc/72/08/07/556720807.db2.gz MLSMDERCUONELO-KRWDZBQOSA-N 1 0 449.580 3.113 40 0 IGABRO O=C(Cc1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019338434 556739354 /nfs/dbraw/zinc/73/93/54/556739354.db2.gz RPPGWQQHZDPDOB-HSZRJFAPSA-N 1 0 449.599 3.400 40 0 IGABRO O=C(Cc1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019338429 556739519 /nfs/dbraw/zinc/73/95/19/556739519.db2.gz RPPGWQQHZDPDOB-QHCPKHFHSA-N 1 0 449.599 3.400 40 0 IGABRO O=C(NCc1ccncc1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372480 556748996 /nfs/dbraw/zinc/74/89/96/556748996.db2.gz RZDQJPVQFPKZTF-GOTSBHOMSA-N 1 0 442.567 3.004 40 0 IGABRO CCn1cc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](CC2CCCCC2)C3)cn1 ZINC000019524867 556782440 /nfs/dbraw/zinc/78/24/40/556782440.db2.gz UBJJFRLIDXRAEC-OAQYLSRUSA-N 1 0 438.576 3.314 40 0 IGABRO CCOc1ccc(CC(=O)NC2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)cc1 ZINC000019533054 556793105 /nfs/dbraw/zinc/79/31/05/556793105.db2.gz UNHIRQITAPGJAR-UHFFFAOYSA-N 1 0 433.556 3.204 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(OC)c1OC ZINC000019552759 556796553 /nfs/dbraw/zinc/79/65/53/556796553.db2.gz WVEGMWQZIWMNQN-QGZVFWFLSA-N 1 0 442.560 3.166 40 0 IGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019562211 556803535 /nfs/dbraw/zinc/80/35/35/556803535.db2.gz KWOFTCDBFNKTBP-NHCUHLMSSA-N 1 0 441.524 3.241 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(OC)c(OC)c3)CC1)C[C@H]2O ZINC000019563039 556804000 /nfs/dbraw/zinc/80/40/00/556804000.db2.gz SKKINYRCJFFMBT-UXHICEINSA-N 1 0 429.513 3.097 40 0 IGABRO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000019572430 556812860 /nfs/dbraw/zinc/81/28/60/556812860.db2.gz YVDQOEFCNVEOHN-QHCPKHFHSA-N 1 0 430.545 3.361 40 0 IGABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c(C)c1C ZINC000019577259 556815431 /nfs/dbraw/zinc/81/54/31/556815431.db2.gz NZGNNYRCALWJEP-QRQCMCJISA-N 1 0 427.545 3.239 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=S)NCCCOC ZINC000004133780 556819569 /nfs/dbraw/zinc/81/95/69/556819569.db2.gz QZODRMZJIGRPNO-UHFFFAOYSA-N 1 0 432.634 3.200 40 0 IGABRO COc1ccc(C[NH+]2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)cc1OC ZINC000019584753 556822055 /nfs/dbraw/zinc/82/20/55/556822055.db2.gz KKJUCUFXWNBAPF-UHFFFAOYSA-N 1 0 434.544 3.396 40 0 IGABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(C(=O)CCCOc1cccc3cccnc31)C2 ZINC000019707496 556867419 /nfs/dbraw/zinc/86/74/19/556867419.db2.gz WEBCMDHTRGJYLI-LJQANCHMSA-N 1 0 446.555 3.235 40 0 IGABRO Cc1nc([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019707809 556867682 /nfs/dbraw/zinc/86/76/82/556867682.db2.gz RNKUWTLELGRMEI-OAQYLSRUSA-N 1 0 448.615 3.181 40 0 IGABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccccc1F)C2 ZINC000019708523 556869264 /nfs/dbraw/zinc/86/92/64/556869264.db2.gz AHKVHEWZMDUOSO-MRXNPFEDSA-N 1 0 425.552 3.329 40 0 IGABRO CNc1nc([C@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710484 556873379 /nfs/dbraw/zinc/87/33/79/556873379.db2.gz FEXKMFJAOZKFJX-SFHVURJKSA-N 1 0 432.572 3.294 40 0 IGABRO COc1ccc(CCNc2nc([C@@H]3CCC[N@H+](C)C3)nc3c2CN(C(C)=O)CC3)cc1C ZINC000019711313 556875490 /nfs/dbraw/zinc/87/54/90/556875490.db2.gz YMVTYAIPOBJJOD-HXUWFJFHSA-N 1 0 437.588 3.162 40 0 IGABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(N(C)Cc3ccc4ncccc4c3)c2C1 ZINC000019711298 556875541 /nfs/dbraw/zinc/87/55/41/556875541.db2.gz ZTHQQYDTVALJFJ-OAQYLSRUSA-N 1 0 444.583 3.375 40 0 IGABRO Cc1nc([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741280 556883161 /nfs/dbraw/zinc/88/31/61/556883161.db2.gz ITUZMYJIUMRAEU-NRFANRHFSA-N 1 0 447.583 3.066 40 0 IGABRO O=C(CC1CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1)NCCc1ccccc1F ZINC000019748460 556893043 /nfs/dbraw/zinc/89/30/43/556893043.db2.gz HRNQUNRRLJCVDO-UHFFFAOYSA-N 1 0 425.552 3.177 40 0 IGABRO O=C(N[C@@H]1Cc2ccc(S(=O)(=O)NCCC[NH+]3CCCCCC3)cc2C1)C1CCCC1 ZINC000019749606 556893935 /nfs/dbraw/zinc/89/39/35/556893935.db2.gz FTDCNMXEJFRMHK-JOCHJYFZSA-N 1 0 447.645 3.005 40 0 IGABRO COc1cccc(CNC(=O)c2ccc(C3CC[NH+](Cc4cccnc4)CC3)nc2N)c1 ZINC000019754276 556897604 /nfs/dbraw/zinc/89/76/04/556897604.db2.gz PSPJNBYCJORAFG-UHFFFAOYSA-N 1 0 431.540 3.377 40 0 IGABRO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)C[N@H+](C[C@H](C)Cc2ccc3c(c2)OCO3)CC4)no1 ZINC000072337116 556909799 /nfs/dbraw/zinc/90/97/99/556909799.db2.gz OVPHTSBKDOHQCO-CQSZACIVSA-N 1 0 447.495 3.364 40 0 IGABRO CCCOc1ccc([C@@H]2[NH+]=C(N3CCc4ccccc4C3)NC(O)=C2C(=O)OCC)cc1 ZINC000019817747 556920527 /nfs/dbraw/zinc/92/05/27/556920527.db2.gz SWQPSSZBTXBSRR-VXKWHMMOSA-N 1 0 435.524 3.240 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1OC ZINC000409052953 556931010 /nfs/dbraw/zinc/93/10/10/556931010.db2.gz FPNTXJXMXDMNQL-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO C[N@H+](CCC(=O)N1CCC[C@@H]1Cc1c2ccccc2sc1C(N)=O)Cc1ccccn1 ZINC000072370263 556934248 /nfs/dbraw/zinc/93/42/48/556934248.db2.gz OPKLNAVTKLHIEM-GOSISDBHSA-N 1 0 436.581 3.451 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 ZINC000409057591 556934787 /nfs/dbraw/zinc/93/47/87/556934787.db2.gz HMTFYECBWDGRKM-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409058467 556935374 /nfs/dbraw/zinc/93/53/74/556935374.db2.gz XWXCLPAOMKEXJE-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)cc1 ZINC000409055242 556938788 /nfs/dbraw/zinc/93/87/88/556938788.db2.gz DKOSLIZVWRQKIE-ZEQRLZLVSA-O 1 0 427.528 3.077 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 ZINC000409062016 556939644 /nfs/dbraw/zinc/93/96/44/556939644.db2.gz LVBAIXSSSOICPS-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409072685 556946240 /nfs/dbraw/zinc/94/62/40/556946240.db2.gz RTKQCWWAWJSANY-DHIUTWEWSA-O 1 0 447.946 3.422 40 0 IGABRO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](Cc4ccc5nccnc5c4)C3)n2)ncn1 ZINC000072377996 556956680 /nfs/dbraw/zinc/95/66/80/556956680.db2.gz BHSWRNXDLFBOCS-QGZVFWFLSA-N 1 0 427.516 3.375 40 0 IGABRO CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072380070 556957571 /nfs/dbraw/zinc/95/75/71/556957571.db2.gz FONKYFMPSDQGRQ-QHCPKHFHSA-N 1 0 434.584 3.118 40 0 IGABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4nc5ccccc5n4C(C)C)C[C@H]32)c(OC)n1 ZINC000072392614 556964027 /nfs/dbraw/zinc/96/40/27/556964027.db2.gz CIDDSEBARZXHHX-NVTAWBTOSA-N 1 0 437.544 3.154 40 0 IGABRO CCn1cc(S(=O)(=O)NC2CC[NH+](CC3(c4ccc(Cl)cc4)CCC3)CC2)cn1 ZINC000072393410 556964818 /nfs/dbraw/zinc/96/48/18/556964818.db2.gz RDPCODXNWSWGQA-UHFFFAOYSA-N 1 0 437.009 3.421 40 0 IGABRO CCn1cc(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3cnc(OC)nc3OC)C2)c2ccc(F)cc21 ZINC000072395413 556967344 /nfs/dbraw/zinc/96/73/44/556967344.db2.gz GPOKGBXXENEKEI-VNOPPTIDSA-N 1 0 440.519 3.337 40 0 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444.583 3.148 40 0 IGABRO CC1(C)CC(CC(=O)N2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)CC(C)(C)[NH2+]1 ZINC000257225276 568676710 /nfs/dbraw/zinc/67/67/10/568676710.db2.gz FFOITEDGTOEYFY-LJQANCHMSA-N 1 0 438.576 3.462 40 0 IGABRO Cc1nc(N)cc([C@@]2(C)CCCN(C(=O)C3(Cc4ccccc4F)CC[NH+](C)CC3)C2)n1 ZINC000257251990 568689625 /nfs/dbraw/zinc/68/96/25/568689625.db2.gz JTDTZIOHOBRUDC-DEOSSOPVSA-N 1 0 439.579 3.341 40 0 IGABRO CC(=O)OCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)C[N@@H+]2Cc1ccccc1 ZINC000257273746 568699497 /nfs/dbraw/zinc/69/94/97/568699497.db2.gz NIAXXOJTVMZTFJ-ONTIZHBOSA-N 1 0 428.479 3.344 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccccc1F)C[C@@H]2c1cccnc1 ZINC000306129699 568765985 /nfs/dbraw/zinc/76/59/85/568765985.db2.gz IKJLMXRKKDDTFB-RCZVLFRGSA-N 1 0 432.499 3.013 40 0 IGABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc5c(c4)OCO5)CC2)CN(C)C3)cc1 ZINC000306134688 568768822 /nfs/dbraw/zinc/76/88/22/568768822.db2.gz NVHVIBZFTHKFIL-UHFFFAOYSA-N 1 0 447.539 3.119 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccn3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306136776 568769672 /nfs/dbraw/zinc/76/96/72/568769672.db2.gz QCWKVVJTHYKBJW-DHLKQENFSA-N 1 0 430.556 3.272 40 0 IGABRO Cc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)s1 ZINC000306140732 568771802 /nfs/dbraw/zinc/77/18/02/568771802.db2.gz VCJXPADGJDBDSR-UPVQGACJSA-N 1 0 434.565 3.244 40 0 IGABRO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC000306141205 568771952 /nfs/dbraw/zinc/77/19/52/568771952.db2.gz VOHQZXKDCVKSSV-NRFANRHFSA-N 1 0 435.568 3.089 40 0 IGABRO O=c1c2c(nc3n1CC1(C3)CC[NH+](Cc3ccsc3)CC1)CCN(Cc1cccnc1)C2 ZINC000306144152 568773701 /nfs/dbraw/zinc/77/37/01/568773701.db2.gz YXTWEAGANZFHKB-UHFFFAOYSA-N 1 0 447.608 3.097 40 0 IGABRO CC(C)c1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000329065063 568811059 /nfs/dbraw/zinc/81/10/59/568811059.db2.gz XOFLEWIHECZUTN-UHFFFAOYSA-N 1 0 437.569 3.422 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000247875655 569206366 /nfs/dbraw/zinc/20/63/66/569206366.db2.gz GOBCVBYSUUZRQR-KWOQKUFVSA-N 1 0 439.556 3.347 40 0 IGABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C[C@H]1CCCN1C(=O)Cc1ccc(F)cc1 ZINC000248106317 569207080 /nfs/dbraw/zinc/20/70/80/569207080.db2.gz IUKRCBTYOYTCNN-DHIUTWEWSA-N 1 0 425.548 3.184 40 0 IGABRO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369979 569226677 /nfs/dbraw/zinc/22/66/77/569226677.db2.gz BHBSLIMPKSRXNY-FGZHOGPDSA-N 1 0 434.584 3.165 40 0 IGABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000019370534 569226710 /nfs/dbraw/zinc/22/67/10/569226710.db2.gz BJLGZTLZMLYDDH-DHIUTWEWSA-N 1 0 448.611 3.383 40 0 IGABRO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000019694781 569229302 /nfs/dbraw/zinc/22/93/02/569229302.db2.gz IINDEGODMIBJBJ-IBGZPJMESA-N 1 0 449.530 3.316 40 0 IGABRO CC(=O)NCc1ccc([C@H]2C[N@@H+](Cc3cn(C)c4ccccc34)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698696 569230185 /nfs/dbraw/zinc/23/01/85/569230185.db2.gz TYFFUIPTHBRPPE-RPWUZVMVSA-N 1 0 432.568 3.118 40 0 IGABRO COCCc1ncc(C[NH+]2CCC3(CC2)CC=CCN(CCc2ccccc2)C3=O)cn1 ZINC000019742721 569236708 /nfs/dbraw/zinc/23/67/08/569236708.db2.gz CJPPVRADHDHDGZ-UHFFFAOYSA-N 1 0 434.584 3.279 40 0 IGABRO COc1ccc(C[NH+]2CCC(c3ncc(C(N)=O)c(C)n3)CC2)cc1Cn1nc(C)cc1C ZINC000019766611 569239454 /nfs/dbraw/zinc/23/94/54/569239454.db2.gz CPCNHZOOIULTMT-UHFFFAOYSA-N 1 0 448.571 3.134 40 0 IGABRO [NH3+][C@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072379939 569250177 /nfs/dbraw/zinc/25/01/77/569250177.db2.gz QRKHCLUXEGXIEH-WIXQSORDSA-N 1 0 449.534 3.109 40 0 IGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218623865 569458827 /nfs/dbraw/zinc/45/88/27/569458827.db2.gz NHXYXGLVSUDYEB-AOIWGVFYSA-N 1 0 428.337 3.441 40 0 IGABRO C[NH+](C)CCCNc1nc(-c2ccccn2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329056083 569582831 /nfs/dbraw/zinc/58/28/31/569582831.db2.gz VQSUIPGOGLHLBZ-UHFFFAOYSA-N 1 0 435.429 3.898 40 0 IGABRO CC(C)CC[NH+]1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 ZINC000225477156 291354197 /nfs/dbraw/zinc/35/41/97/291354197.db2.gz VGRFSWMXYNABBS-UHFFFAOYSA-N 1 0 429.634 3.190 40 0 biogenic,in-vitro IGABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccc(OC)cc2)C3)c(OCC)n1 ZINC000012181050 521611067 /nfs/dbraw/zinc/61/10/67/521611067.db2.gz BLVXPGFCLQDIDS-QRQCMCJISA-N 1 0 427.545 3.402 40 0 IGABRO COc1ccc(-c2nc3ccc(Br)cn3c2CN2CC[NH2+]CC2)cc1OC ZINC000022464843 523230211 /nfs/dbraw/zinc/23/02/11/523230211.db2.gz AIRNLHBEVOGPKG-UHFFFAOYSA-N 1 0 431.334 3.186 40 0 IGABRO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 ZINC000072345580 527077107 /nfs/dbraw/zinc/07/71/07/527077107.db2.gz CPKRQHZKRVCWAT-NRFANRHFSA-N 1 0 438.572 3.424 40 0 IGABRO O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000041689852 527657621 /nfs/dbraw/zinc/65/76/21/527657621.db2.gz PATSINVCZKLCSB-RHCLBKJASA-N 1 0 432.580 3.311 40 0 IGABRO COc1ccc(/C=C\C(=O)OCC[NH2+]CCOC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000031623664 556524762 /nfs/dbraw/zinc/52/47/62/556524762.db2.gz IMCXEISUSBYHNH-PVRNWPCDSA-N 1 0 425.481 3.106 40 0 IGABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000013613582 556535348 /nfs/dbraw/zinc/53/53/48/556535348.db2.gz GNZMSDLWWQTGRT-UHFFFAOYSA-N 1 0 443.613 3.429 40 0 IGABRO O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1 ZINC000013673285 556553393 /nfs/dbraw/zinc/55/33/93/556553393.db2.gz IXEPQZVSEFBZGJ-UHFFFAOYSA-N 1 0 435.977 3.137 40 0 IGABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@H](C)C1 ZINC000036714053 556599908 /nfs/dbraw/zinc/59/99/08/556599908.db2.gz KSIYVZAIKRPLAT-QUCCMNQESA-N 1 0 435.634 3.207 40 0 IGABRO O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038831127 556621723 /nfs/dbraw/zinc/62/17/23/556621723.db2.gz NOKXIISQQMZZJR-QHCPKHFHSA-N 1 0 425.548 3.186 40 0 IGABRO CC(C)c1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044857290 556673188 /nfs/dbraw/zinc/67/31/88/556673188.db2.gz BYMWNEHRKWPZIB-UHFFFAOYSA-N 1 0 443.613 3.488 40 0 IGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(NC(C)=O)cc3)CC1)O2 ZINC000019022386 556694217 /nfs/dbraw/zinc/69/42/17/556694217.db2.gz SHNUEUVSCLOXIN-YADHBBJMSA-N 1 0 426.513 3.038 40 0 IGABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCn3nc(C)cc3C)cc2)cc1 ZINC000257229008 556708959 /nfs/dbraw/zinc/70/89/59/556708959.db2.gz FWFIBGLJCUGTJT-JOCHJYFZSA-N 1 0 439.556 3.459 40 0 IGABRO CC(=O)N1CCc2cc([C@H](O)C[NH+]3CCC4(CC3)C[C@H](O)c3cc(C)ccc3O4)ccc21 ZINC000019219285 556713829 /nfs/dbraw/zinc/71/38/29/556713829.db2.gz HKWGJUCCEGLSEC-BJKOFHAPSA-N 1 0 436.552 3.288 40 0 IGABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)CCc3ccccc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257292455 556716374 /nfs/dbraw/zinc/71/63/74/556716374.db2.gz QLNJUQCOPDBDGV-NSVAZKTRSA-N 1 0 449.639 3.224 40 0 IGABRO O=C(CN1C(=O)CSC1=O)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019332833 556737529 /nfs/dbraw/zinc/73/75/29/556737529.db2.gz ZJOYYVVWWOKOKS-UHFFFAOYSA-N 1 0 435.977 3.038 40 0 IGABRO O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019343149 556740980 /nfs/dbraw/zinc/74/09/80/556740980.db2.gz UVTFHIRGCIQWTF-INIZCTEOSA-N 1 0 426.586 3.081 40 0 IGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCCO2 ZINC000019345591 556742555 /nfs/dbraw/zinc/74/25/55/556742555.db2.gz QSPNGYMPRPVUAK-VQTJNVASSA-N 1 0 429.488 3.371 40 0 IGABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000019345578 556742622 /nfs/dbraw/zinc/74/26/22/556742622.db2.gz OBRJYOPZUJSJTN-MOPGFXCFSA-N 1 0 431.916 3.495 40 0 IGABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000019370575 556747679 /nfs/dbraw/zinc/74/76/79/556747679.db2.gz CKWMPJGBGYXWIU-HSZRJFAPSA-N 1 0 448.611 3.240 40 0 IGABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000019370565 556747786 /nfs/dbraw/zinc/74/77/86/556747786.db2.gz WBWDNJZROYXUKM-GOTSBHOMSA-N 1 0 448.611 3.240 40 0 IGABRO CC(C)[NH+](Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)o1)C(C)C ZINC000019447611 556756672 /nfs/dbraw/zinc/75/66/72/556756672.db2.gz PZBFITVVXAFIAH-UHFFFAOYSA-N 1 0 439.560 3.106 40 0 IGABRO COc1ccccc1CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C(C)C)C2 ZINC000019448337 556757518 /nfs/dbraw/zinc/75/75/18/556757518.db2.gz LHTDQQIMKLETMQ-OAQYLSRUSA-N 1 0 438.572 3.231 40 0 IGABRO COc1cccc2c1cc(C(=O)N1CCC[C@H]1c1nc3c(c(=O)[nH]1)CC[N@@H+](C(C)C)C3)n2C ZINC000019448399 556757927 /nfs/dbraw/zinc/75/79/27/556757927.db2.gz MMSVXCUHRCQCTN-FQEVSTJZSA-N 1 0 449.555 3.426 40 0 IGABRO C[C@@H](C[N@H+](C)CC(=O)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)c1ccccc1 ZINC000019455957 556765561 /nfs/dbraw/zinc/76/55/61/556765561.db2.gz KKWBIZCCGZAEDI-FQEVSTJZSA-N 1 0 436.600 3.411 40 0 IGABRO COc1cc2cc(CN(CC[NH+](C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC ZINC000001335662 556776337 /nfs/dbraw/zinc/77/63/37/556776337.db2.gz IFEORCIREAXPLZ-UHFFFAOYSA-N 1 0 442.491 3.280 40 0 IGABRO CCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OCC(N)=O ZINC000019532199 556792587 /nfs/dbraw/zinc/79/25/87/556792587.db2.gz GBPGUQOXFFMRHZ-QLCVBSLISA-N 1 0 428.504 3.103 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)cc(OC)c1OC ZINC000019549741 556794695 /nfs/dbraw/zinc/79/46/95/556794695.db2.gz VNJZXHFMDUHTNN-GOSISDBHSA-N 1 0 442.560 3.166 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1OC ZINC000019567837 556808237 /nfs/dbraw/zinc/80/82/37/556808237.db2.gz MWQJJGHUYMMUBQ-SFHVURJKSA-N 1 0 436.512 3.396 40 0 IGABRO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(N(C)Cc3ccc4ncccc4c3)c2C1 ZINC000019711299 556875410 /nfs/dbraw/zinc/87/54/10/556875410.db2.gz ZTHQQYDTVALJFJ-NRFANRHFSA-N 1 0 444.583 3.375 40 0 IGABRO CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)C[N@@H+]4CCCC[C@@H]4C)CC3)nc21 ZINC000019739506 556878141 /nfs/dbraw/zinc/87/81/41/556878141.db2.gz YQFMCSGISNYOGA-KRWDZBQOSA-N 1 0 427.593 3.055 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2CCc1ccccc1 ZINC000019739580 556878356 /nfs/dbraw/zinc/87/83/56/556878356.db2.gz JGOUNMXQEQUJRE-QFIPXVFZSA-N 1 0 449.599 3.312 40 0 IGABRO Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CC[NH+](CC(=O)N3CCCCC3)CC2)n1 ZINC000019756329 556900018 /nfs/dbraw/zinc/90/00/18/556900018.db2.gz IVPOXPDWRTYSDO-UHFFFAOYSA-N 1 0 441.551 3.079 40 0 IGABRO CCn1nc(C)c(C[N@@H+]2CC[C@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)c1C ZINC000019761739 556905258 /nfs/dbraw/zinc/90/52/58/556905258.db2.gz JJKPEQOYKFDDSC-IBGZPJMESA-N 1 0 435.572 3.434 40 0 IGABRO COc1cc2c(cc1C[NH+]1CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC1)OCO2 ZINC000072337256 556910291 /nfs/dbraw/zinc/91/02/91/556910291.db2.gz YCCSUSACTDDPLO-UHFFFAOYSA-N 1 0 440.544 3.047 40 0 IGABRO CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3cccc(F)c3)CC2)o1 ZINC000072344905 556915774 /nfs/dbraw/zinc/91/57/74/556915774.db2.gz RLCGZDNBJOTFHP-LJQANCHMSA-N 1 0 436.553 3.465 40 0 IGABRO O=C(C[NH+]1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1)N1CCOCC1 ZINC000072359381 556932446 /nfs/dbraw/zinc/93/24/46/556932446.db2.gz XFBHFGWWUXPQOI-UHFFFAOYSA-N 1 0 434.462 3.201 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409055973 556933702 /nfs/dbraw/zinc/93/37/02/556933702.db2.gz LVDWCUXVNKJAJC-JPSPSYKNSA-O 1 0 432.475 3.241 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409055977 556933892 /nfs/dbraw/zinc/93/38/92/556933892.db2.gz LVDWCUXVNKJAJC-VIXBWKJWSA-O 1 0 432.475 3.241 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)c1 ZINC000409060609 556937581 /nfs/dbraw/zinc/93/75/81/556937581.db2.gz VHVVXNQZGXJIHG-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409062592 556940015 /nfs/dbraw/zinc/94/00/15/556940015.db2.gz XHEWTXDQBYFQKQ-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409068049 556942619 /nfs/dbraw/zinc/94/26/19/556942619.db2.gz JXGXPBMDHJJPSV-LMOLPZMTSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)cc1OC ZINC000409061265 556943252 /nfs/dbraw/zinc/94/32/52/556943252.db2.gz CJCJEPPZVCKJNM-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409070797 556945032 /nfs/dbraw/zinc/94/50/32/556945032.db2.gz NGSVNENTKYUSQI-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO Cc1nc([C@H](C)n2ncc3ccccc3c2=O)cc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000072373274 556946085 /nfs/dbraw/zinc/94/60/85/556946085.db2.gz JWKNGQLJHJZKCE-IBGZPJMESA-N 1 0 440.551 3.426 40 0 IGABRO COc1cccc(CC(=O)N2CCC[C@H]2c2ccc3c(NC4CC[NH+](C)CC4)n[nH]c3n2)c1 ZINC000072374517 556948304 /nfs/dbraw/zinc/94/83/04/556948304.db2.gz UEMYQKROLPTEKU-QFIPXVFZSA-N 1 0 448.571 3.379 40 0 IGABRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Nc3cnccn3)cc(C)[nH+]2)C1 ZINC000072375034 556950446 /nfs/dbraw/zinc/95/04/46/556950446.db2.gz RMHJNTQHLMDELT-INIZCTEOSA-N 1 0 428.518 3.097 40 0 IGABRO COc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)CCCC2 ZINC000072392626 556964002 /nfs/dbraw/zinc/96/40/02/556964002.db2.gz AGCJMKRQRFLCSM-NXQMDHLFSA-N 1 0 439.556 3.111 40 0 IGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cc5c(cc4C)OCO5)C[C@H]32)c(OCC)n1 ZINC000072392656 556964015 /nfs/dbraw/zinc/96/40/15/556964015.db2.gz BYZYERLPALMQSB-LSRZYVKLSA-N 1 0 441.528 3.041 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc(OC)c1OC ZINC000072393212 556964557 /nfs/dbraw/zinc/96/45/57/556964557.db2.gz WFKFXQUNPCHLOG-KRWDZBQOSA-N 1 0 436.512 3.237 40 0 IGABRO COc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4c(C)n(C)c5ccc(C)cc45)C[C@@H]32)c(OC)n1 ZINC000072395410 556967228 /nfs/dbraw/zinc/96/72/28/556967228.db2.gz SQUVZAWWCZQCIK-SAQVGAHLSA-N 1 0 436.556 3.332 40 0 IGABRO COc1ccc2c(c1)c([C@H]1C[N@H+](Cc3cc(OC)ccc3OC)C[C@@H]1NC(C)=O)cn2C ZINC000072395547 556967356 /nfs/dbraw/zinc/96/73/56/556967356.db2.gz LOGFBERQUQMHSV-PKTZIBPZSA-N 1 0 437.540 3.308 40 0 IGABRO O=C(Cc1ccccn1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@@H+]21 ZINC000585110196 557043107 /nfs/dbraw/zinc/04/31/07/557043107.db2.gz VZNNPWRLIUMPMJ-BJKOFHAPSA-N 1 0 440.547 3.434 40 0 IGABRO CCN1CCN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000409406831 557106944 /nfs/dbraw/zinc/10/69/44/557106944.db2.gz DATPWMVUGUTLQA-UHFFFAOYSA-N 1 0 435.977 3.008 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=S)NC[C@H]1CCCO1 ZINC000006193282 557148471 /nfs/dbraw/zinc/14/84/71/557148471.db2.gz DBOBAUOLCBBOAK-HXUWFJFHSA-N 1 0 444.645 3.342 40 0 IGABRO CCN1CC[C@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccc(C)s2)CC3)C1=O ZINC000096036440 557163286 /nfs/dbraw/zinc/16/32/86/557163286.db2.gz AZKKZMOOBXSSRD-QHCPKHFHSA-N 1 0 425.602 3.188 40 0 IGABRO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)c2cccs2)CC3)C1=O ZINC000096036478 557163560 /nfs/dbraw/zinc/16/35/60/557163560.db2.gz UTWLVNDBZUGNGU-DEOSSOPVSA-N 1 0 438.597 3.120 40 0 IGABRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000096052904 557166502 /nfs/dbraw/zinc/16/65/02/557166502.db2.gz OPFUMBNQVVAIFY-SFHVURJKSA-N 1 0 425.598 3.477 40 0 IGABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108283 557177525 /nfs/dbraw/zinc/17/75/25/557177525.db2.gz MQWVUGCFBDRGDA-QFIPXVFZSA-N 1 0 445.523 3.382 40 0 IGABRO Cc1nc(Cn2cc(-c3nc(C(=O)NCC[NH+]4CCCC4)c4ccccn43)nc2C)cs1 ZINC000096155108 557179502 /nfs/dbraw/zinc/17/95/02/557179502.db2.gz KGPMZFAENYXPIP-UHFFFAOYSA-N 1 0 449.584 3.145 40 0 IGABRO O=C(NCCc1ccccn1)c1ccc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096267527 557193267 /nfs/dbraw/zinc/19/32/67/557193267.db2.gz KUOZEDOCSCSJRW-HXUWFJFHSA-N 1 0 426.524 3.086 40 0 IGABRO CC(C)([NH3+])C(=O)N1CCC[C@@H](c2cncc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585262890 557203361 /nfs/dbraw/zinc/20/33/61/557203361.db2.gz OGHAHFCCWRBMJT-CYBMUJFWSA-N 1 0 432.450 3.253 40 0 IGABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000585283796 557223149 /nfs/dbraw/zinc/22/31/49/557223149.db2.gz HRLBEWZQAWFUBN-AZUAARDMSA-N 1 0 442.865 3.087 40 0 IGABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](O)C1 ZINC000585284457 557224255 /nfs/dbraw/zinc/22/42/55/557224255.db2.gz LCJQWIVSAXTYAP-ZCYQVOJMSA-N 1 0 442.987 3.233 40 0 IGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000057774105 557263607 /nfs/dbraw/zinc/26/36/07/557263607.db2.gz HHGROGBGSYVBIY-YADARESESA-N 1 0 427.545 3.205 40 0 IGABRO CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CCC[NH+]2CCOCC2)c1C ZINC000222779192 557386154 /nfs/dbraw/zinc/38/61/54/557386154.db2.gz DGOLABNWHSJKKD-VXKWHMMOSA-N 1 0 427.618 3.215 40 0 IGABRO CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(CCC[NH+]2CCOCC2)c1C ZINC000222779382 557386174 /nfs/dbraw/zinc/38/61/74/557386174.db2.gz DGOLABNWHSJKKD-FGZHOGPDSA-N 1 0 427.618 3.215 40 0 IGABRO COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223291729 557456516 /nfs/dbraw/zinc/45/65/16/557456516.db2.gz LUOZKHLJLHMTKF-FCHUYYIVSA-N 1 0 449.580 3.193 40 0 IGABRO CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)ccc21 ZINC000223848547 557520474 /nfs/dbraw/zinc/52/04/74/557520474.db2.gz CKMMCFLXSXUKLW-UHFFFAOYSA-N 1 0 443.569 3.260 40 0 IGABRO CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000224164446 557569222 /nfs/dbraw/zinc/56/92/22/557569222.db2.gz FVGIUSUMNDZQDR-UHFFFAOYSA-N 1 0 433.549 3.113 40 0 IGABRO CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000224179059 557571496 /nfs/dbraw/zinc/57/14/96/557571496.db2.gz PHZVGTLGKDEHSM-UHFFFAOYSA-N 1 0 433.549 3.113 40 0 IGABRO Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224302253 557587822 /nfs/dbraw/zinc/58/78/22/557587822.db2.gz LPQXLPCKEVNBAN-UHFFFAOYSA-N 1 0 429.586 3.282 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)cc1 ZINC000224426938 557605299 /nfs/dbraw/zinc/60/52/99/557605299.db2.gz ZVISOOIHKIXUIP-UHFFFAOYSA-N 1 0 429.586 3.031 40 0 IGABRO CCN(Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224458369 557608422 /nfs/dbraw/zinc/60/84/22/557608422.db2.gz SJISSUBRPQOAFK-UHFFFAOYSA-N 1 0 443.613 3.422 40 0 IGABRO CN(c1ccc(Cl)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1)S(C)(=O)=O ZINC000224514183 557615000 /nfs/dbraw/zinc/61/50/00/557615000.db2.gz IYZRWIVOSKDSQN-UHFFFAOYSA-N 1 0 435.977 3.262 40 0 IGABRO CN(CCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224526153 557616668 /nfs/dbraw/zinc/61/66/68/557616668.db2.gz IPTVWKZENZXVPK-UHFFFAOYSA-N 1 0 443.613 3.390 40 0 IGABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC000224538453 557618185 /nfs/dbraw/zinc/61/81/85/557618185.db2.gz BVQWUJDKYMPLGD-UHFFFAOYSA-N 1 0 441.597 3.450 40 0 IGABRO CC(C)c1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1 ZINC000224598730 557629314 /nfs/dbraw/zinc/62/93/14/557629314.db2.gz KHNLDMWVZLQAOS-UHFFFAOYSA-N 1 0 443.613 3.488 40 0 IGABRO CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC000224614565 557631203 /nfs/dbraw/zinc/63/12/03/557631203.db2.gz IQUOPXYELKOLOM-UHFFFAOYSA-N 1 0 447.576 3.284 40 0 IGABRO CCN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1)S(=O)(=O)CC ZINC000224634550 557634217 /nfs/dbraw/zinc/63/42/17/557634217.db2.gz VLLNNYVUZLSESJ-UHFFFAOYSA-N 1 0 429.586 3.388 40 0 IGABRO Cc1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O ZINC000224652787 557636248 /nfs/dbraw/zinc/63/62/48/557636248.db2.gz XWXWXWUHCVYWQN-UHFFFAOYSA-N 1 0 429.586 3.063 40 0 IGABRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000224843753 557657778 /nfs/dbraw/zinc/65/77/78/557657778.db2.gz XEBCZOLSACRDJB-GOSISDBHSA-N 1 0 447.576 3.283 40 0 IGABRO CCn1c2ccc(S(=O)(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)cc2sc1=O ZINC000225698265 557765940 /nfs/dbraw/zinc/76/59/40/557765940.db2.gz HEMACMVIDMCQIJ-UHFFFAOYSA-N 1 0 447.582 3.357 40 0 IGABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)cn1 ZINC000225945694 557795707 /nfs/dbraw/zinc/79/57/07/557795707.db2.gz AQCHLDYYTKHTGK-UHFFFAOYSA-N 1 0 445.519 3.426 40 0 IGABRO O=C(Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000585262290 568616443 /nfs/dbraw/zinc/61/64/43/568616443.db2.gz CGBOXEJANBGGOM-CZJMETBBSA-N 1 0 442.559 3.353 40 0 IGABRO O[C@H]1CC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585287779 568619325 /nfs/dbraw/zinc/61/93/25/568619325.db2.gz RLSWBIPCGUCZRP-OXCBMLQPSA-N 1 0 429.532 3.091 40 0 IGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585287668 568619386 /nfs/dbraw/zinc/61/93/86/568619386.db2.gz QQBRLQRWNNUZHR-MQNAVGNWSA-N 1 0 427.532 3.374 40 0 IGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585287828 568619411 /nfs/dbraw/zinc/61/94/11/568619411.db2.gz SVYAUOSMGMMCEP-JIOQYBSPSA-N 1 0 427.532 3.109 40 0 IGABRO CC1(C(=O)N2CCOC[C@H](Cc3ccc4nccn4n3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000257212939 568671190 /nfs/dbraw/zinc/67/11/90/568671190.db2.gz CFMZEEYBAOTGBH-JOCHJYFZSA-N 1 0 447.583 3.049 40 0 IGABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)[C@@H]([NH3+])Cc4ccc(O)cc4)C[C@@H]3C[C@H]21 ZINC000257247952 568687515 /nfs/dbraw/zinc/68/75/15/568687515.db2.gz JBHUCCAURAFCOX-JDVFBPCKSA-N 1 0 436.552 3.428 40 0 IGABRO C[NH+]1CCN(c2cc(C(=O)N3CCC(Cc4cccc5cccnc54)CC3)ccn2)CC1 ZINC000257295425 568709291 /nfs/dbraw/zinc/70/92/91/568709291.db2.gz QYGCTXUDESEUDU-UHFFFAOYSA-N 1 0 429.568 3.477 40 0 IGABRO CC(=O)N1CC[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257307513 568714442 /nfs/dbraw/zinc/71/44/42/568714442.db2.gz SYZCGMNSRWCWRM-NRFANRHFSA-N 1 0 444.583 3.148 40 0 IGABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257311430 568715995 /nfs/dbraw/zinc/71/59/95/568715995.db2.gz UJKNXODEWYLBHK-HXUWFJFHSA-N 1 0 426.536 3.013 40 0 IGABRO C[N@H+](CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257319351 568719741 /nfs/dbraw/zinc/71/97/41/568719741.db2.gz VSAKAWDLCCLFPC-CZYKHXBRSA-N 1 0 427.545 3.030 40 0 IGABRO CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)C[NH+]3CCCCCC3)ccc2c1N ZINC000257344858 568730520 /nfs/dbraw/zinc/73/05/20/568730520.db2.gz ZYXBIAZOKDOQGI-QGZVFWFLSA-N 1 0 429.590 3.168 40 0 IGABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257345054 568730730 /nfs/dbraw/zinc/73/07/30/568730730.db2.gz ZZTLQSYTOVNVIN-LJQANCHMSA-N 1 0 428.964 3.138 40 0 IGABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218621953 568761749 /nfs/dbraw/zinc/76/17/49/568761749.db2.gz JMWUNQBVJMMLDY-ZIFCJYIRSA-N 1 0 428.337 3.441 40 0 IGABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000306125302 568763744 /nfs/dbraw/zinc/76/37/44/568763744.db2.gz CLYRAOUMHYCYMO-UHFFFAOYSA-N 1 0 436.491 3.053 40 0 IGABRO Cc1nc(CN2CC3(CC[NH+](C4CCC4)CC3)COc3ncccc3S2(=O)=O)cs1 ZINC000306128322 568765215 /nfs/dbraw/zinc/76/52/15/568765215.db2.gz GXGGWNYEIVUBMV-UHFFFAOYSA-N 1 0 448.614 3.065 40 0 IGABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000306128900 568765477 /nfs/dbraw/zinc/76/54/77/568765477.db2.gz HNXSJFOCMQLHQF-UHFFFAOYSA-N 1 0 432.528 3.222 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccn3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306129606 568765833 /nfs/dbraw/zinc/76/58/33/568765833.db2.gz IHZVWBORQPNPJG-DHLKQENFSA-N 1 0 430.556 3.272 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccn3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306129607 568765904 /nfs/dbraw/zinc/76/59/04/568765904.db2.gz IHZVWBORQPNPJG-RCZVLFRGSA-N 1 0 430.556 3.272 40 0 IGABRO O=C(NC1CCCC1)c1nnc2n1C[C@]1(CC[N@H+](Cc3ccc4ccccc4c3)C1)OC2 ZINC000306131288 568766655 /nfs/dbraw/zinc/76/66/55/568766655.db2.gz KAFNKQIPNZZDBW-RUZDIDTESA-N 1 0 431.540 3.279 40 0 IGABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 ZINC000306136501 568769346 /nfs/dbraw/zinc/76/93/46/568769346.db2.gz PVHPXWIFZNHELW-FGZHOGPDSA-N 1 0 431.492 3.307 40 0 IGABRO Cc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)s1 ZINC000306140185 568771418 /nfs/dbraw/zinc/77/14/18/568771418.db2.gz UMJWDPZYGZCGQF-UPVQGACJSA-N 1 0 434.565 3.244 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3nccs3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306142646 568772879 /nfs/dbraw/zinc/77/28/79/568772879.db2.gz XFLOQYHMFOJVGT-WMZHIEFXSA-N 1 0 436.585 3.334 40 0 IGABRO COc1ccc(Cl)cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@H]23)C1O ZINC000101347267 568782131 /nfs/dbraw/zinc/78/21/31/568782131.db2.gz HTVROKSUZNDXQZ-XLNTUCKNSA-N 1 0 442.874 3.323 40 0 IGABRO Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(F)cc31)N1CCC[C@@H]21 ZINC000101343120 568782140 /nfs/dbraw/zinc/78/21/40/568782140.db2.gz DMLNYBOCYBNNON-YRAONVGVSA-N 1 0 439.874 3.219 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)cc2F)cc(-c2cccnc2)n1 ZINC000329022652 568809473 /nfs/dbraw/zinc/80/94/73/568809473.db2.gz OOPNFWJHUDUGOR-UHFFFAOYSA-N 1 0 431.313 3.001 40 0 IGABRO COc1ccc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329063348 568810782 /nfs/dbraw/zinc/81/07/82/568810782.db2.gz XCZXPBNAWMPZFK-UHFFFAOYSA-N 1 0 432.450 3.127 40 0 IGABRO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023643384 568860046 /nfs/dbraw/zinc/86/00/46/568860046.db2.gz SPPRKROKHZPZNZ-HXUWFJFHSA-N 1 0 437.462 3.226 40 0 IGABRO Cc1nc(C)c(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)s1 ZINC000248138561 569207085 /nfs/dbraw/zinc/20/70/85/569207085.db2.gz SPENMEPGCDCQOD-LEWJYISDSA-N 1 0 442.629 3.118 40 0 IGABRO COc1cccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)c1 ZINC000248150038 569207377 /nfs/dbraw/zinc/20/73/77/569207377.db2.gz XERQPDOGPPSIMQ-DHIUTWEWSA-N 1 0 437.584 3.054 40 0 IGABRO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[N@@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253499218 569208600 /nfs/dbraw/zinc/20/86/00/569208600.db2.gz RDVJMIQJPVMQAV-SIKLNZKXSA-N 1 0 433.560 3.220 40 0 IGABRO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000010111123 569221175 /nfs/dbraw/zinc/22/11/75/569221175.db2.gz FDZAALDQWSRYCA-UHFFFAOYSA-N 1 0 429.586 3.264 40 0 IGABRO CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+]3CCCCC3)c2)CC1 ZINC000010279748 569222093 /nfs/dbraw/zinc/22/20/93/569222093.db2.gz LJVPUQNGTUJIJF-UHFFFAOYSA-N 1 0 442.025 3.366 40 0 IGABRO CNc1cc(CN(C)C(=O)C2(c3ccc(OC)cc3)CCCC2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709697 569234781 /nfs/dbraw/zinc/23/47/81/569234781.db2.gz BIKQGHDGDKOJSO-GOSISDBHSA-N 1 0 437.588 3.464 40 0 IGABRO Cc1nc([C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763227 569237901 /nfs/dbraw/zinc/23/79/01/569237901.db2.gz IBRKODBWAYEIGA-QFIPXVFZSA-N 1 0 449.599 3.493 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cn1nc(C)cc1C ZINC000019763728 569238212 /nfs/dbraw/zinc/23/82/12/569238212.db2.gz CVXJILYJSPBYPH-FQEVSTJZSA-N 1 0 448.571 3.134 40 0 IGABRO Cc1nc(C2CC[NH+](Cc3ccc(OC(C)C)c(Cn4cccn4)c3)CC2)ncc1C(N)=O ZINC000019766601 569239462 /nfs/dbraw/zinc/23/94/62/569239462.db2.gz XVIQRIUCKAYJCN-UHFFFAOYSA-N 1 0 448.571 3.296 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3OC)[C@H]2c2ccc(C)cc2)cc1 ZINC000020058542 569240165 /nfs/dbraw/zinc/24/01/65/569240165.db2.gz AOHJAFNYOWCRJZ-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO [NH3+][C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C1(O)COC1 ZINC000575624290 569267776 /nfs/dbraw/zinc/26/77/76/569267776.db2.gz XEFQZUBTBZOJGR-VWLOTQADSA-N 1 0 425.532 3.354 40 0 IGABRO [NH3+][C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C1(O)COC1 ZINC000575624288 569267785 /nfs/dbraw/zinc/26/77/85/569267785.db2.gz XEFQZUBTBZOJGR-RUZDIDTESA-N 1 0 425.532 3.354 40 0 IGABRO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)CN(C)C(=O)C2)cc1 ZINC000096113450 291358763 /nfs/dbraw/zinc/35/87/63/291358763.db2.gz UHOZCPJQORIQDG-IFMALSPDSA-N 1 0 441.547 3.258 40 0 biogenic,in-vitro IGABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccnc(-n2cnnc2)c1 ZINC000013568079 132350603 /nfs/dbraw/zinc/35/06/03/132350603.db2.gz UPARDCXYHLLWCJ-UHFFFAOYSA-N 1 0 439.523 3.237 40 0 IGABRO CCC[NH+]1CCN(Cn2nc3n(c2=S)c2ccccc2c(=O)n3-c2ccccc2C)CC1 ZINC000022918157 519858953 /nfs/dbraw/zinc/85/89/53/519858953.db2.gz ZGHTYFMNUIXYKK-UHFFFAOYSA-N 1 0 448.596 3.463 40 0 IGABRO CCC(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036719464 521119615 /nfs/dbraw/zinc/11/96/15/521119615.db2.gz KIMUWKWTVCEMJL-ZEQKJWHPSA-N 1 0 438.568 3.401 40 0 IGABRO O[C@H](COCCOc1ccc(F)cc1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000041690282 526283716 /nfs/dbraw/zinc/28/37/16/526283716.db2.gz BJWFDEMYVKXGMV-FQEVSTJZSA-N 1 0 442.453 3.423 40 0 IGABRO CC[NH+](CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCC(C)C ZINC000006193002 556079965 /nfs/dbraw/zinc/07/99/65/556079965.db2.gz GTCHRQHEHVUGNX-UHFFFAOYSA-N 1 0 446.617 3.321 40 0 IGABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039759056 556441969 /nfs/dbraw/zinc/44/19/69/556441969.db2.gz LZTFFAQCULVDEA-UHFFFAOYSA-N 1 0 428.460 3.250 40 0 IGABRO O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030939854 556515860 /nfs/dbraw/zinc/51/58/60/556515860.db2.gz WZGACAYMPOSIQK-LJQANCHMSA-N 1 0 425.504 3.149 40 0 IGABRO C[NH+](C)CCNC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000013613278 556534996 /nfs/dbraw/zinc/53/49/96/556534996.db2.gz MEMWSFTZTWFKTG-UHFFFAOYSA-N 1 0 444.384 3.251 40 0 IGABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1C ZINC000013631982 556539494 /nfs/dbraw/zinc/53/94/94/556539494.db2.gz VEPMZIWYGIWZFT-UHFFFAOYSA-N 1 0 443.613 3.491 40 0 IGABRO CC1CC[NH+](CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 ZINC000013647064 556544186 /nfs/dbraw/zinc/54/41/86/556544186.db2.gz CMENMIYKABRQSE-UHFFFAOYSA-N 1 0 447.576 3.259 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(C)c(Cl)c2)cc1 ZINC000013670431 556551350 /nfs/dbraw/zinc/55/13/50/556551350.db2.gz PNWXNCBCLNMYMU-UHFFFAOYSA-N 1 0 437.993 3.220 40 0 IGABRO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013671699 556552396 /nfs/dbraw/zinc/55/23/96/556552396.db2.gz FSAAUQFLKYPKOY-UHFFFAOYSA-N 1 0 447.576 3.398 40 0 IGABRO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000044872602 556673387 /nfs/dbraw/zinc/67/33/87/556673387.db2.gz NVOKKQMNRZMXLI-JOCHJYFZSA-N 1 0 447.576 3.283 40 0 IGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1NC(C)=O ZINC000019022163 556693972 /nfs/dbraw/zinc/69/39/72/556693972.db2.gz JQYYYIWQBBDJMZ-SFTDATJTSA-N 1 0 426.513 3.038 40 0 IGABRO CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(O)(c4cccnc4)CC3)ccc21 ZINC000019081428 556696090 /nfs/dbraw/zinc/69/60/90/556696090.db2.gz CMYGCWMWTRZXBV-QHCPKHFHSA-N 1 0 437.584 3.424 40 0 IGABRO CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000019086155 556699617 /nfs/dbraw/zinc/69/96/17/556699617.db2.gz RVNGJTCQNWXKQS-PZJWPPBQSA-N 1 0 443.617 3.100 40 0 IGABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(OCC(=O)N5CCCC5)cc4)C[C@H]32)nc1 ZINC000019216004 556711947 /nfs/dbraw/zinc/71/19/47/556711947.db2.gz HROVXNMBAIDLDF-SYVJQLTCSA-N 1 0 435.568 3.121 40 0 IGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1NC(C)=O ZINC000019219213 556713679 /nfs/dbraw/zinc/71/36/79/556713679.db2.gz WYPAEGFSYRESBY-YADHBBJMSA-N 1 0 440.540 3.346 40 0 IGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3C)[nH]c(=O)c2C1 ZINC000019238692 556724049 /nfs/dbraw/zinc/72/40/49/556724049.db2.gz NNGQQHWTLLTSQJ-FQEVSTJZSA-N 1 0 449.580 3.379 40 0 IGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 ZINC000019238696 556724102 /nfs/dbraw/zinc/72/41/02/556724102.db2.gz VZMGTTSOTNBHLZ-IBGZPJMESA-N 1 0 435.553 3.070 40 0 IGABRO O=C(C[N@@H+]1CCC2(C1)CCCCC2)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019291988 556731623 /nfs/dbraw/zinc/73/16/23/556731623.db2.gz RKYOSHYDTYIATG-HXUWFJFHSA-N 1 0 426.605 3.332 40 0 IGABRO O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019337656 556738959 /nfs/dbraw/zinc/73/89/59/556738959.db2.gz KNQYOBBTZZZJTK-JOCHJYFZSA-N 1 0 435.572 3.471 40 0 IGABRO O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)C1 ZINC000019343162 556740959 /nfs/dbraw/zinc/74/09/59/556740959.db2.gz VVCCBLJDDYFMTF-INIZCTEOSA-N 1 0 426.586 3.081 40 0 IGABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450117 556761089 /nfs/dbraw/zinc/76/10/89/556761089.db2.gz QRZDYHKEQIKPFP-OALUTQOASA-N 1 0 443.542 3.485 40 0 IGABRO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccc(OC)cc4F)C[C@@H]32)c(OCC)n1 ZINC000019531783 556792274 /nfs/dbraw/zinc/79/22/74/556792274.db2.gz XBXLGBKUYWWSJC-VVWXKSFDSA-N 1 0 431.508 3.151 40 0 IGABRO COc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3CC2)ccc1OC(F)F ZINC000019550112 556795156 /nfs/dbraw/zinc/79/51/56/556795156.db2.gz UXLPVHVXACPKKO-UHFFFAOYSA-N 1 0 428.439 3.043 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)cc1 ZINC000019555529 556798165 /nfs/dbraw/zinc/79/81/65/556798165.db2.gz OVDWYUKOZLZBOF-JOCHJYFZSA-N 1 0 445.523 3.121 40 0 IGABRO Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C(C)C)CC2 ZINC000019571531 556811499 /nfs/dbraw/zinc/81/14/99/556811499.db2.gz QJXPFKSXBCESKQ-IBGZPJMESA-N 1 0 448.564 3.312 40 0 IGABRO COc1ccc(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)cc1C ZINC000019571396 556811693 /nfs/dbraw/zinc/81/16/93/556811693.db2.gz VQBIABOTKLMNPM-SFTDATJTSA-N 1 0 437.588 3.134 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCCCOC ZINC000004133751 556819594 /nfs/dbraw/zinc/81/95/94/556819594.db2.gz BMFXQMGPPCEPKJ-UHFFFAOYSA-N 1 0 432.634 3.200 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NCCCOC ZINC000004133807 556819599 /nfs/dbraw/zinc/81/95/99/556819599.db2.gz OTONGFILJYTWQW-UHFFFAOYSA-N 1 0 432.634 3.200 40 0 IGABRO COCCOc1cc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)ccc1OC ZINC000019593619 556829757 /nfs/dbraw/zinc/82/97/57/556829757.db2.gz RCTAZUXNNXVCAU-GOSISDBHSA-N 1 0 443.573 3.348 40 0 IGABRO COCCN1C[C@H](c2cc(N(C)C)nc(C3CC[NH+](CC4CCCCC4)CC3)n2)CC1=O ZINC000019697478 556854797 /nfs/dbraw/zinc/85/47/97/556854797.db2.gz OOAUHXRIVYJJBX-OAQYLSRUSA-N 1 0 443.636 3.265 40 0 IGABRO CCN(CC)C(=O)C[NH+]1CCC(c2nc(C)c3c(n2)N(Cc2ccccn2)CCC3)CC1 ZINC000019705736 556863048 /nfs/dbraw/zinc/86/30/48/556863048.db2.gz JWNYZGIRHSNMNY-UHFFFAOYSA-N 1 0 436.604 3.181 40 0 IGABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(C(=O)C(C)(C)Oc1cccc(C)c1)CC2 ZINC000019711384 556875818 /nfs/dbraw/zinc/87/58/18/556875818.db2.gz ADPARXPPYYGNLP-UHFFFAOYSA-N 1 0 437.588 3.378 40 0 IGABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019740996 556882266 /nfs/dbraw/zinc/88/22/66/556882266.db2.gz MRDDZZCXXHKHDS-JOCHJYFZSA-N 1 0 447.583 3.414 40 0 IGABRO COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc1C ZINC000019753474 556897069 /nfs/dbraw/zinc/89/70/69/556897069.db2.gz CMEVVOGVWPFPHZ-HXUWFJFHSA-N 1 0 437.544 3.195 40 0 IGABRO CCn1cc(C[NH+]2CCC3(C[C@@]4(CO3)NC(=O)c3cc(Cl)ccc3N4)CC2)c(C)n1 ZINC000072325633 556902940 /nfs/dbraw/zinc/90/29/40/556902940.db2.gz PVQBOMNKRXQQLV-QFIPXVFZSA-N 1 0 429.952 3.172 40 0 IGABRO CCn1c2ccc(C[N@@H+]3CC[C@@H](c4cc(C(N)=O)c5ccccc5n4)C3)cc2n(CC)c1=O ZINC000019761746 556905286 /nfs/dbraw/zinc/90/52/86/556905286.db2.gz YWCREVNYQQPKIZ-GOSISDBHSA-N 1 0 443.551 3.479 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409055963 556933657 /nfs/dbraw/zinc/93/36/57/556933657.db2.gz BVUKEIZACHMSEH-VNGKGULCSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000409059553 556936894 /nfs/dbraw/zinc/93/68/94/556936894.db2.gz RZVYGYKZOBGOTG-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 ZINC000409061078 556937584 /nfs/dbraw/zinc/93/75/84/556937584.db2.gz UVDIDFHIYSQBGE-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 ZINC000409061637 556939406 /nfs/dbraw/zinc/93/94/06/556939406.db2.gz YUMZFNRITCMDFJ-RPBOFIJWSA-O 1 0 441.555 3.386 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409061993 556939620 /nfs/dbraw/zinc/93/96/20/556939620.db2.gz LFKDITULBDBDJK-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000409062287 556939938 /nfs/dbraw/zinc/93/99/38/556939938.db2.gz RIGMMLSQMDHBAE-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccccc1 ZINC000072371881 556941314 /nfs/dbraw/zinc/94/13/14/556941314.db2.gz RBOJCVNHYXTLGG-NRFANRHFSA-N 1 0 435.572 3.270 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 ZINC000409065324 556941415 /nfs/dbraw/zinc/94/14/15/556941415.db2.gz FZKMGINMZMXEPI-OLMNJFBISA-O 1 0 444.511 3.110 40 0 IGABRO COc1cccc(C[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1OC ZINC000072395701 556967999 /nfs/dbraw/zinc/96/79/99/556967999.db2.gz LGLZYXGCQCPTLD-DOTOQJQBSA-N 1 0 425.455 3.495 40 0 IGABRO COc1ccc(C[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1OC ZINC000072395698 556968098 /nfs/dbraw/zinc/96/80/98/556968098.db2.gz DJUCAYPKWACXSQ-MAUKXSAKSA-N 1 0 425.455 3.495 40 0 IGABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000585105985 557039167 /nfs/dbraw/zinc/03/91/67/557039167.db2.gz AJNSFKALZXYVIQ-IPELMVKDSA-N 1 0 433.980 3.047 40 0 IGABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106288 557039666 /nfs/dbraw/zinc/03/96/66/557039666.db2.gz OLHNUIUEUKGITQ-QRQLOZEOSA-N 1 0 439.556 3.283 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000024389766 557145941 /nfs/dbraw/zinc/14/59/41/557145941.db2.gz NYZRNHFYOMHUBS-UHFFFAOYSA-N 1 0 435.977 3.018 40 0 IGABRO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096036259 557163409 /nfs/dbraw/zinc/16/34/09/557163409.db2.gz XNGMEADUMZWRSP-RUZDIDTESA-N 1 0 436.556 3.284 40 0 IGABRO CCN(c1ccc(C(=O)NCCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000010111485 557204116 /nfs/dbraw/zinc/20/41/16/557204116.db2.gz WMGYAELCPWQUOP-UHFFFAOYSA-N 1 0 435.615 3.305 40 0 IGABRO Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCN4CCOCC4)c3)CC2)cc1 ZINC000585281973 557221088 /nfs/dbraw/zinc/22/10/88/557221088.db2.gz WAFIDBMFKQHPMU-UHFFFAOYSA-N 1 0 440.584 3.112 40 0 IGABRO COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000057671055 557256936 /nfs/dbraw/zinc/25/69/36/557256936.db2.gz NZHOHWSINPTXPQ-QHCPKHFHSA-N 1 0 436.560 3.258 40 0 IGABRO COc1ccc(Cn2nnnc2[C@@H](c2ccccc2OC)N2CCC(C(N)=O)CC2)cc1 ZINC000057671101 557256947 /nfs/dbraw/zinc/25/69/47/557256947.db2.gz UMSGRGKOKJXRRL-OAQYLSRUSA-N 1 0 436.516 3.075 40 0 IGABRO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1 ZINC000057671012 557256992 /nfs/dbraw/zinc/25/69/92/557256992.db2.gz FDQPXONIZUKKOP-JOCHJYFZSA-N 1 0 436.560 3.402 40 0 IGABRO CCOc1ncc(C2(O)CC[NH+](Cc3cc(OC)c(OC)cc3C)CC2)c(OCC)n1 ZINC000057743876 557258199 /nfs/dbraw/zinc/25/81/99/557258199.db2.gz UMAVOWARUZGDPS-UHFFFAOYSA-N 1 0 431.533 3.083 40 0 IGABRO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C[NH+](C)C)CC1 ZINC000100657891 557267508 /nfs/dbraw/zinc/26/75/08/557267508.db2.gz TZKUPNYVAODLRY-CALCHBBNSA-N 1 0 431.602 3.229 40 0 IGABRO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033714135 557351702 /nfs/dbraw/zinc/35/17/02/557351702.db2.gz DTKIXLBQVYIXOU-FLFXDLLNSA-N 1 0 435.911 3.388 40 0 IGABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1nccs1 ZINC000223257029 557451590 /nfs/dbraw/zinc/45/15/90/557451590.db2.gz IVPSQRMKMBXMDP-MOPGFXCFSA-N 1 0 426.615 3.480 40 0 IGABRO Cc1c(Cl)cccc1N(CCCC(=O)NCCC[N@H+]1CCC[C@@H](C)C1)S(C)(=O)=O ZINC000223468026 557475446 /nfs/dbraw/zinc/47/54/46/557475446.db2.gz VBMJJXKKRFRGSN-QGZVFWFLSA-N 1 0 444.041 3.433 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019527934 557501754 /nfs/dbraw/zinc/50/17/54/557501754.db2.gz KZMAXOWOQRYWOW-QFIPXVFZSA-N 1 0 435.576 3.055 40 0 IGABRO COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCC3)CC2)c1OC ZINC000020139813 557515770 /nfs/dbraw/zinc/51/57/70/557515770.db2.gz VNHPEFFCHZTJPT-HXUWFJFHSA-N 1 0 428.581 3.095 40 0 IGABRO COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000223834529 557518608 /nfs/dbraw/zinc/51/86/08/557518608.db2.gz SEUKADHSRLGCHX-UHFFFAOYSA-N 1 0 438.933 3.400 40 0 IGABRO Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000224127605 557564415 /nfs/dbraw/zinc/56/44/15/557564415.db2.gz INZUXXDZFCXBHE-UHFFFAOYSA-N 1 0 429.586 3.282 40 0 IGABRO Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1N1CCCCS1(=O)=O ZINC000224400765 557602004 /nfs/dbraw/zinc/60/20/04/557602004.db2.gz JRVWJWJRJVWEAH-UHFFFAOYSA-N 1 0 441.597 3.103 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)cc1 ZINC000224426366 557605062 /nfs/dbraw/zinc/60/50/62/557605062.db2.gz UZSSDBFFYIRCFD-UHFFFAOYSA-N 1 0 443.613 3.422 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000224598795 557629260 /nfs/dbraw/zinc/62/92/60/557629260.db2.gz GIJGQMAIMSUFMP-UHFFFAOYSA-N 1 0 435.977 3.018 40 0 IGABRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000224655606 557636713 /nfs/dbraw/zinc/63/67/13/557636713.db2.gz XVTBWJBRPVLLSC-LJQANCHMSA-N 1 0 429.586 3.143 40 0 IGABRO CN(CCCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000224687097 557640411 /nfs/dbraw/zinc/64/04/11/557640411.db2.gz GTOAULJYSQBYGL-UHFFFAOYSA-N 1 0 443.613 3.390 40 0 IGABRO Cn1c2ccc(S(=O)(=O)NCc3cccc(C[NH+]4CCCCC4)c3)cc2sc1=O ZINC000224705173 557642774 /nfs/dbraw/zinc/64/27/74/557642774.db2.gz OMCQTIIUHDLJGZ-UHFFFAOYSA-N 1 0 431.583 3.064 40 0 IGABRO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224783339 557650977 /nfs/dbraw/zinc/65/09/77/557650977.db2.gz JJLXRCKHFKFYKI-QHCPKHFHSA-N 1 0 443.613 3.452 40 0 IGABRO Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000224820899 557655595 /nfs/dbraw/zinc/65/55/95/557655595.db2.gz GTNNXBQKZONYQJ-FQEVSTJZSA-N 1 0 443.613 3.452 40 0 IGABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000059294564 557820019 /nfs/dbraw/zinc/82/00/19/557820019.db2.gz WRPGRAOMMVNJRM-UHFFFAOYSA-N 1 0 431.920 3.204 40 0 IGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000061992818 557829743 /nfs/dbraw/zinc/82/97/43/557829743.db2.gz CCINPNZGQSKDQW-KLRIDBMASA-N 1 0 428.548 3.233 40 0 IGABRO Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000260897630 568627848 /nfs/dbraw/zinc/62/78/48/568627848.db2.gz NPENGEMVVMBWIP-LJQANCHMSA-N 1 0 429.586 3.062 40 0 IGABRO Cn1c2ccc(C[N@@H+]3C[C@@H](c4cccc(F)c4)[C@]4(C3)CCCCC(=O)N4)cc2n(C)c1=O ZINC000257205285 568667626 /nfs/dbraw/zinc/66/76/26/568667626.db2.gz AYJPWTKNFAOFNK-NBGIEHNGSA-N 1 0 436.531 3.045 40 0 IGABRO COc1cc2c(cc1C[NH+]1CCC(c3cncc(Nc4cnccn4)n3)CC1)OCCO2 ZINC000257212587 568671192 /nfs/dbraw/zinc/67/11/92/568671192.db2.gz CECCRKGSGAPYFN-UHFFFAOYSA-N 1 0 434.500 3.170 40 0 IGABRO CC1(C(=O)N2CCOC[C@@H](Cc3ccc4nccn4n3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000257212940 568671194 /nfs/dbraw/zinc/67/11/94/568671194.db2.gz CFMZEEYBAOTGBH-QFIPXVFZSA-N 1 0 447.583 3.049 40 0 IGABRO O=S(=O)(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000257214452 568671712 /nfs/dbraw/zinc/67/17/12/568671712.db2.gz CMBIDSKVDSUOCR-HJOGWXRNSA-N 1 0 428.598 3.302 40 0 IGABRO C[N@@H+]1CCN(C(=O)c2cccc(-c3cncnc3)n2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257228915 568678543 /nfs/dbraw/zinc/67/85/43/568678543.db2.gz FVVKEOZIOMZYGK-LJQANCHMSA-N 1 0 438.535 3.333 40 0 IGABRO C[NH+](C)CC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1 ZINC000257280512 568702521 /nfs/dbraw/zinc/70/25/21/568702521.db2.gz OLEGCBSOTVWZNS-HSZRJFAPSA-N 1 0 435.996 3.292 40 0 IGABRO Cn1c(=O)c2ccc([C@H]3CCCCN3Cc3cccnc3)nc2n(Cc2ccccc2)c1=O ZINC000257319608 568719591 /nfs/dbraw/zinc/71/95/91/568719591.db2.gz VTGQZDQBJWEEIF-HSZRJFAPSA-N 1 0 441.535 3.266 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1cc(F)ccc1F ZINC000257324590 568722320 /nfs/dbraw/zinc/72/23/20/568722320.db2.gz WPIXCUUPCJIYIC-VDKIKQQVSA-N 1 0 444.522 3.268 40 0 IGABRO CN(Cc1cccnc1)C(=O)c1nnc2n1CCCC21CC[NH+](CCC(F)(F)F)CC1 ZINC000306124405 568763256 /nfs/dbraw/zinc/76/32/56/568763256.db2.gz BOVKKQPSWLQBPC-UHFFFAOYSA-N 1 0 436.482 3.025 40 0 IGABRO Cc1ccsc1C[N@@H+]1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126487 568764162 /nfs/dbraw/zinc/76/41/62/568764162.db2.gz DXLMVBOELGXHOX-QPPBQGQZSA-N 1 0 434.565 3.244 40 0 IGABRO Cn1cccc1C[NH+]1CCC(c2nc(CNC(=O)c3ccncc3)c3ccccn32)CC1 ZINC000306127838 568764898 /nfs/dbraw/zinc/76/48/98/568764898.db2.gz GITWZQIOIMNEQP-UHFFFAOYSA-N 1 0 428.540 3.377 40 0 IGABRO Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)c1 ZINC000306132668 568767467 /nfs/dbraw/zinc/76/74/67/568767467.db2.gz LOUOOSJMGKFYGZ-VWLOTQADSA-N 1 0 436.604 3.048 40 0 IGABRO CCn1cc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000306133942 568768227 /nfs/dbraw/zinc/76/82/27/568768227.db2.gz MZUVAXBPEAOBIO-DHLKQENFSA-N 1 0 447.587 3.094 40 0 IGABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1 ZINC000306136502 568769493 /nfs/dbraw/zinc/76/94/93/568769493.db2.gz PVHPXWIFZNHELW-VXKWHMMOSA-N 1 0 431.492 3.307 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000328984138 568808515 /nfs/dbraw/zinc/80/85/15/568808515.db2.gz HLWLSHLZIVTZSN-UHFFFAOYSA-N 1 0 441.377 3.121 40 0 IGABRO Cc1ccc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)c(Br)c1 ZINC000329024011 568809705 /nfs/dbraw/zinc/80/97/05/568809705.db2.gz OXZWHIOLYLGWCX-UHFFFAOYSA-N 1 0 427.350 3.170 40 0 IGABRO COc1ccccc1N1CC[NH+](C2CCN(Cc3cccc(OC)c3OC)CC2)CC1 ZINC000028632117 568864638 /nfs/dbraw/zinc/86/46/38/568864638.db2.gz CWCNAQXJPHLIRK-UHFFFAOYSA-N 1 0 425.573 3.499 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCN(C(=O)C[C@@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000247879851 569206287 /nfs/dbraw/zinc/20/62/87/569206287.db2.gz IKQQUMCOJXYOEM-UYAOXDASSA-N 1 0 448.567 3.421 40 0 IGABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000248121742 569207171 /nfs/dbraw/zinc/20/71/71/569207171.db2.gz KIQVMJBAZSLZHP-GCJKJVERSA-N 1 0 445.560 3.185 40 0 IGABRO Cn1cc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(=O)NCCO)C2)c2ccccc21 ZINC000019702571 569232318 /nfs/dbraw/zinc/23/23/18/569232318.db2.gz QXCIUWVERZFSIF-INIZCTEOSA-N 1 0 434.565 3.500 40 0 IGABRO Cc1nc([C@H]2CCN(C(=O)C[NH+]3CCCCCC3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019757843 569237180 /nfs/dbraw/zinc/23/71/80/569237180.db2.gz OQAFOZZRLMERCC-SFHVURJKSA-N 1 0 439.535 3.368 40 0 IGABRO Cc1nc([C@@H]2CCN(C(=O)C[NH+]3CCCCCC3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019757840 569237265 /nfs/dbraw/zinc/23/72/65/569237265.db2.gz OQAFOZZRLMERCC-GOSISDBHSA-N 1 0 439.535 3.368 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3OC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000020058539 569240210 /nfs/dbraw/zinc/24/02/10/569240210.db2.gz AOHJAFNYOWCRJZ-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO COc1cc(CC[NH2+]Cc2cccc3c2OCO3)c(OC)cc1I ZINC000095705068 569374967 /nfs/dbraw/zinc/37/49/67/569374967.db2.gz NJNMIPDEUMTYNV-UHFFFAOYSA-N 1 0 441.265 3.369 40 0 in-vitro IGABRO Cn1c(-c2ccccc2)cnc1NC(=O)CCC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000013992215 569582829 /nfs/dbraw/zinc/58/28/29/569582829.db2.gz ZNFANKAQQAEWJI-UHFFFAOYSA-N 1 0 433.556 3.396 40 0 IGABRO CC1CC[NH+](C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000067870775 291355023 /nfs/dbraw/zinc/35/50/23/291355023.db2.gz KPPISELBQBSOQE-CMKODMSKSA-N 1 0 426.026 3.061 40 0 biogenic,in-vitro IGABRO CN(Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2cccnc2)no1)Cc1ccccc1 ZINC000012482093 291355765 /nfs/dbraw/zinc/35/57/65/291355765.db2.gz DTKCLRXHPFNQGQ-GOTSBHOMSA-N 1 0 447.583 3.176 40 0 biogenic,in-vitro IGABRO Cc1ccc(NC(=O)CCc2nnc3ccc(N4CC[NH+](C5CCCCC5)CC4)nn32)cc1 ZINC000009831658 132329534 /nfs/dbraw/zinc/32/95/34/132329534.db2.gz IQXLKLYGSYOFHW-UHFFFAOYSA-N 1 0 447.587 3.459 40 0 IGABRO COc1ccc(OC)c([C@H](c2nnnn2CCC(C)C)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000022929835 518158978 /nfs/dbraw/zinc/15/89/78/518158978.db2.gz ZIGJDLSZTGHLLT-HSZRJFAPSA-N 1 0 442.608 3.386 40 0 IGABRO CC(C)[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)CC1 ZINC000072345802 519673026 /nfs/dbraw/zinc/67/30/26/519673026.db2.gz SESBLPBDPWORMC-QHCPKHFHSA-N 1 0 441.597 3.255 40 0 IGABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)CC1 ZINC000020491821 521023634 /nfs/dbraw/zinc/02/36/34/521023634.db2.gz MAOWLMOQEWOBDF-UHFFFAOYSA-N 1 0 441.597 3.065 40 0 IGABRO CCOC(=O)c1cnn2c1N[C@@H]([C@@H]1CCC[N@H+](CC3=CCCOC3)C1)C[C@H]2C(F)(F)F ZINC000012181551 521581274 /nfs/dbraw/zinc/58/12/74/521581274.db2.gz JBWYLQVFVFOEEP-NXHRZFHOSA-N 1 0 442.482 3.406 40 0 IGABRO COc1ccc(OC)c([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000035289929 524888863 /nfs/dbraw/zinc/88/88/63/524888863.db2.gz YHGLDWGFFFSRFM-QFIPXVFZSA-N 1 0 442.608 3.485 40 0 IGABRO COc1ccc([C@@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)N2CCOCC2)cc1 ZINC000022756491 525186922 /nfs/dbraw/zinc/18/69/22/525186922.db2.gz QDHVRJOFGZJHSY-HDYLNDSGSA-N 1 0 440.584 3.113 40 0 IGABRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000012235900 526755179 /nfs/dbraw/zinc/75/51/79/526755179.db2.gz LMWGXQPXGYDXCI-UNMCSNQZSA-N 1 0 426.605 3.330 40 0 IGABRO Cc1cc(=O)oc2cc(OC(=O)[C@H](CCCC[NH3+])NC(=O)OCc3ccccc3)ccc12 ZINC000001766917 555712953 /nfs/dbraw/zinc/71/29/53/555712953.db2.gz YXRJQLBRVNGKDK-FQEVSTJZSA-N 1 0 438.480 3.431 40 0 IGABRO CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000004102215 555962585 /nfs/dbraw/zinc/96/25/85/555962585.db2.gz OIJXLIIMXHRJJH-KNLIIKEYSA-N 1 0 425.569 3.388 40 0 in-man IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2cccc(C)c2C)cc1 ZINC000010450104 556335294 /nfs/dbraw/zinc/33/52/94/556335294.db2.gz MBSSYNJXGTYIFN-UHFFFAOYSA-N 1 0 443.613 3.409 40 0 IGABRO C[C@@H](Cc1ccccn1)[N@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012089134 556401751 /nfs/dbraw/zinc/40/17/51/556401751.db2.gz XXEGXLBIZPKESF-ORYQWCPZSA-N 1 0 439.560 3.345 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000030556403 556497746 /nfs/dbraw/zinc/49/77/46/556497746.db2.gz FEZZOTQRTJUFJF-UHFFFAOYSA-N 1 0 435.977 3.018 40 0 IGABRO O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030939858 556515924 /nfs/dbraw/zinc/51/59/24/556515924.db2.gz WZGACAYMPOSIQK-IBGZPJMESA-N 1 0 425.504 3.149 40 0 IGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000032462236 556537824 /nfs/dbraw/zinc/53/78/24/556537824.db2.gz DVRWZOSKFINMJF-UHFFFAOYSA-N 1 0 447.626 3.061 40 0 IGABRO CCc1ccccc1N(CC(=O)NCCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000013668434 556548977 /nfs/dbraw/zinc/54/89/77/556548977.db2.gz UJEVNMBGEMBJFR-UHFFFAOYSA-N 1 0 443.613 3.355 40 0 IGABRO CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013668862 556549476 /nfs/dbraw/zinc/54/94/76/556549476.db2.gz IUMKALRLRNVWQD-UHFFFAOYSA-N 1 0 447.576 3.398 40 0 IGABRO O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038831126 556621803 /nfs/dbraw/zinc/62/18/03/556621803.db2.gz NOKXIISQQMZZJR-HSZRJFAPSA-N 1 0 425.548 3.186 40 0 IGABRO O[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290441 556626552 /nfs/dbraw/zinc/62/65/52/556626552.db2.gz ZWPLBWPOSFFEPT-FCHUYYIVSA-N 1 0 431.502 3.211 40 0 biogenic,in-vitro IGABRO COCc1nn2c(ncc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397756 556639751 /nfs/dbraw/zinc/63/97/51/556639751.db2.gz LTYFROJJBOYJMK-UHFFFAOYSA-N 1 0 425.920 3.463 40 0 IGABRO Cc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044873196 556673281 /nfs/dbraw/zinc/67/32/81/556673281.db2.gz YGGFDHLYPBLKAN-UHFFFAOYSA-N 1 0 443.613 3.453 40 0 IGABRO CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000019086149 556699696 /nfs/dbraw/zinc/69/96/96/556699696.db2.gz RVNGJTCQNWXKQS-CTNGQTDRSA-N 1 0 443.617 3.100 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)ccc1OCCn1ccnc1 ZINC000257265344 556712958 /nfs/dbraw/zinc/71/29/58/556712958.db2.gz LYHMXRDDUUWUAQ-VWLOTQADSA-N 1 0 437.540 3.377 40 0 IGABRO O=C(CN1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1)NC(c1ccccc1)c1ccccc1 ZINC000257287965 556715574 /nfs/dbraw/zinc/71/55/74/556715574.db2.gz PSFPRSMMMWWIBC-XMMPIXPASA-N 1 0 443.538 3.060 40 0 IGABRO COc1ccccc1C[N@@H+]1C[C@@H](c2ccc(OC)c(OC)c2)[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000019285455 556727126 /nfs/dbraw/zinc/72/71/26/556727126.db2.gz VPCLMDGNNNAQDE-VQTJNVASSA-N 1 0 435.524 3.487 40 0 IGABRO COc1ccc([C@@H]2C[N@H+](Cc3c(OC)cccc3OC)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285495 556727516 /nfs/dbraw/zinc/72/75/16/556727516.db2.gz JDBLODPQIZDPSJ-VQTJNVASSA-N 1 0 435.524 3.487 40 0 IGABRO Cn1c2ccc(C[N@@H+]3CCC[C@H](c4cc(=O)[nH]c(-c5cccs5)n4)C3)cc2n(C)c1=O ZINC000019289796 556729676 /nfs/dbraw/zinc/72/96/76/556729676.db2.gz VCVGEAVBKNLKNE-INIZCTEOSA-N 1 0 435.553 3.068 40 0 IGABRO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC2(CC1)NC(=O)c1cc(Cl)ccc1N2 ZINC000019345891 556742611 /nfs/dbraw/zinc/74/26/11/556742611.db2.gz MJRDCLSRTQHYSB-UHFFFAOYSA-N 1 0 428.920 3.317 40 0 IGABRO O=C(NCC1CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019372628 556749189 /nfs/dbraw/zinc/74/91/89/556749189.db2.gz QPHDMAVAALECLF-RPLLCQBOSA-N 1 0 432.564 3.477 40 0 IGABRO O=C(Cc1ccsc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019406415 556755056 /nfs/dbraw/zinc/75/50/56/556755056.db2.gz YZPGKWFDVDVWAD-QGZVFWFLSA-N 1 0 426.586 3.081 40 0 IGABRO COc1cccc(C[N@@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)c1 ZINC000019450122 556761076 /nfs/dbraw/zinc/76/10/76/556761076.db2.gz FNFLTYVYFYSCSE-VXKWHMMOSA-N 1 0 437.588 3.216 40 0 IGABRO COc1ccc(CN2CCc3c(nc(-c4ccccn4)nc3N[C@@H](C)C[NH+](C)C)C2)cc1 ZINC000019455925 556765416 /nfs/dbraw/zinc/76/54/16/556765416.db2.gz QWFINSPZXSSMTQ-SFHVURJKSA-N 1 0 432.572 3.468 40 0 IGABRO C[C@H](CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2)n1cccn1 ZINC000019455303 556765622 /nfs/dbraw/zinc/76/56/22/556765622.db2.gz JMGLWOXSCHZQKF-DYESRHJHSA-N 1 0 438.576 3.384 40 0 IGABRO CCc1nn(C)c(C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)c1C ZINC000019521056 556777832 /nfs/dbraw/zinc/77/78/32/556777832.db2.gz HFYQQCBOWYZYFQ-UHFFFAOYSA-N 1 0 438.551 3.225 40 0 IGABRO CCc1c(C)nc([C@@H]2CCC[N@H+](Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)[nH]c1=O ZINC000019521552 556778362 /nfs/dbraw/zinc/77/83/62/556778362.db2.gz LUVSXYQDGXNUMJ-HXUWFJFHSA-N 1 0 438.572 3.022 40 0 IGABRO CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000019523238 556780392 /nfs/dbraw/zinc/78/03/92/556780392.db2.gz DEYRYHWRIOZOAC-UHFFFAOYSA-N 1 0 425.504 3.134 40 0 IGABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccccc2OC)C3)c(OCC)n1 ZINC000019531655 556792035 /nfs/dbraw/zinc/79/20/35/556792035.db2.gz JSQPJDQRGJDJLM-QRQCMCJISA-N 1 0 427.545 3.402 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)cc1OC(F)F ZINC000019559777 556801489 /nfs/dbraw/zinc/80/14/89/556801489.db2.gz OAVSPVINLXQPRV-UHFFFAOYSA-N 1 0 428.439 3.043 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)C[C@H]4C=CCC4)C3)[nH]c(=O)c2C1 ZINC000019570596 556810564 /nfs/dbraw/zinc/81/05/64/556810564.db2.gz HUGXMROWVOQRKB-AZUAARDMSA-N 1 0 448.567 3.421 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019570587 556810591 /nfs/dbraw/zinc/81/05/91/556810591.db2.gz JXOSRRATCXOWGX-IBGZPJMESA-N 1 0 436.556 3.255 40 0 IGABRO CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000019577957 556815555 /nfs/dbraw/zinc/81/55/55/556815555.db2.gz YDFLKPXQKGZIFY-SANMLTNESA-N 1 0 447.583 3.370 40 0 IGABRO COc1ccc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000004131349 556819003 /nfs/dbraw/zinc/81/90/03/556819003.db2.gz LOGRJVLVQOHFOZ-UHFFFAOYSA-N 1 0 430.618 3.498 40 0 IGABRO C[NH+](C)CCC1CCN(C(=O)CN2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000019582171 556819839 /nfs/dbraw/zinc/81/98/39/556819839.db2.gz VVUMSLXSVBKOLM-RTWAWAEBSA-N 1 0 445.608 3.051 40 0 IGABRO CN(C)c1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)C[NH+]2CCCC2)n1 ZINC000019585375 556822565 /nfs/dbraw/zinc/82/25/65/556822565.db2.gz LMYVSMQYAGYIEJ-UHFFFAOYSA-N 1 0 430.556 3.229 40 0 IGABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4nc5ccccc5s4)C3)[nH]c(=O)c2C1 ZINC000019590242 556825194 /nfs/dbraw/zinc/82/51/94/556825194.db2.gz IAZIJRKNKBTROE-HNNXBMFYSA-N 1 0 437.569 3.119 40 0 IGABRO CC(=O)NCc1ccc([C@H]2C[N@H+](Cc3c(C)nn(C(C)C)c3C)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698688 556857774 /nfs/dbraw/zinc/85/77/74/556857774.db2.gz FQBQCLRKEITWEU-RPWUZVMVSA-N 1 0 439.604 3.021 40 0 IGABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc2c1CCCN2Cc1ccccn1 ZINC000019706118 556864244 /nfs/dbraw/zinc/86/42/44/556864244.db2.gz PSUIVOJJYVTUMM-QFIPXVFZSA-N 1 0 434.588 3.282 40 0 IGABRO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 ZINC000019708114 556868124 /nfs/dbraw/zinc/86/81/24/556868124.db2.gz UPEUHYWKHXTOJX-QFIPXVFZSA-N 1 0 449.599 3.443 40 0 IGABRO CN(C)c1cc(CN(C)C(=O)CCOc2ccc(Cl)cc2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709853 556871461 /nfs/dbraw/zinc/87/14/61/556871461.db2.gz BIEVYDYDJOZZQW-IBGZPJMESA-N 1 0 431.968 3.438 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019741731 556884824 /nfs/dbraw/zinc/88/48/24/556884824.db2.gz HNLXPLKYMBKKOK-OAQYLSRUSA-N 1 0 435.572 3.270 40 0 IGABRO Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)nc2n(C)c1=O ZINC000019743481 556888311 /nfs/dbraw/zinc/88/83/11/556888311.db2.gz BCZLDESYCATRCT-OAHLLOKOSA-N 1 0 432.446 3.031 40 0 IGABRO COc1ccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@@H+](C4CCOCC4)C2)nc3C)cc1 ZINC000019743909 556889212 /nfs/dbraw/zinc/88/92/12/556889212.db2.gz LVFGVDKEQLXHCJ-LJQANCHMSA-N 1 0 436.556 3.241 40 0 IGABRO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)CC1 ZINC000019749509 556893699 /nfs/dbraw/zinc/89/36/99/556893699.db2.gz AJRZQCIDRRBDOJ-JOCHJYFZSA-N 1 0 433.618 3.131 40 0 IGABRO CC[NH+](CC)C1CCN(C(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)CC1 ZINC000019752802 556896521 /nfs/dbraw/zinc/89/65/21/556896521.db2.gz UOMIVFHPMYKNNH-UHFFFAOYSA-N 1 0 449.599 3.443 40 0 IGABRO CC(C)c1ncc(C[N@@H+]2CC[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cn1 ZINC000019761845 556905616 /nfs/dbraw/zinc/90/56/16/556905616.db2.gz YYUNTDMFGZPESX-IBGZPJMESA-N 1 0 433.556 3.202 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000072330598 556906705 /nfs/dbraw/zinc/90/67/05/556906705.db2.gz GOBCVBYSUUZRQR-APTRMMRNSA-N 1 0 439.556 3.347 40 0 IGABRO CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3cccc(F)c3)CC2)o1 ZINC000072344906 556915788 /nfs/dbraw/zinc/91/57/88/556915788.db2.gz RLCGZDNBJOTFHP-IBGZPJMESA-N 1 0 436.553 3.465 40 0 IGABRO Nc1ncnc2nc([C@H]3CCCN(C(=O)[C@H]([NH3+])c4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000072354389 556929908 /nfs/dbraw/zinc/92/99/08/556929908.db2.gz DWNDYARYBDXDPS-SUMWQHHRSA-N 1 0 430.434 3.032 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3cccc(OC)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409056838 556934364 /nfs/dbraw/zinc/93/43/64/556934364.db2.gz OIBRURBSQUIIJT-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409058465 556935416 /nfs/dbraw/zinc/93/54/16/556935416.db2.gz NIFXPJLVGHNDHH-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409058893 556935845 /nfs/dbraw/zinc/93/58/45/556935845.db2.gz ZGCNVJFCOSHJGF-LMOLPZMTSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409058896 556935847 /nfs/dbraw/zinc/93/58/47/556935847.db2.gz ZGCNVJFCOSHJGF-WSBKAMHLSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccc(C)cc1 ZINC000409059549 556936863 /nfs/dbraw/zinc/93/68/63/556936863.db2.gz RZVYGYKZOBGOTG-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2)cc1 ZINC000409061081 556938253 /nfs/dbraw/zinc/93/82/53/556938253.db2.gz UVDIDFHIYSQBGE-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO CN(C)c1ncc(C[N@@H+]2CC[C@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000072371493 556938936 /nfs/dbraw/zinc/93/89/36/556938936.db2.gz XDBRDYJGBKDCKG-INIZCTEOSA-N 1 0 428.487 3.155 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409060953 556943048 /nfs/dbraw/zinc/94/30/48/556943048.db2.gz AOBDAHCHYPKSCQ-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO O=C(C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373079 556945277 /nfs/dbraw/zinc/94/52/77/556945277.db2.gz DANDSPJTPYRIPI-GOTSBHOMSA-N 1 0 448.611 3.240 40 0 IGABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@H]1Cc1ccccc1 ZINC000072373107 556945312 /nfs/dbraw/zinc/94/53/12/556945312.db2.gz BJLGZTLZMLYDDH-GOTSBHOMSA-N 1 0 448.611 3.383 40 0 IGABRO CN(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409072691 556946221 /nfs/dbraw/zinc/94/62/21/556946221.db2.gz RTKQCWWAWJSANY-XZOQPEGZSA-O 1 0 447.946 3.422 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 ZINC000409072852 556946512 /nfs/dbraw/zinc/94/65/12/556946512.db2.gz SQNQPLYQSJPUJY-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000409073790 556946762 /nfs/dbraw/zinc/94/67/62/556946762.db2.gz TUOABJWSMPVVEQ-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO COc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(NC4CC[NH+](C)CC4)n[nH]c3n2)c1 ZINC000072374492 556948136 /nfs/dbraw/zinc/94/81/36/556948136.db2.gz LRQSRCUTVVZBIJ-OAQYLSRUSA-N 1 0 434.544 3.450 40 0 IGABRO CNc1nc([C@@H]2CCCCN2CC(=O)N(Cc2ccccc2)C(C)C)nc2c1CC[NH2+]C2 ZINC000072376579 556955079 /nfs/dbraw/zinc/95/50/79/556955079.db2.gz DJKXBSQSVGMBSU-QFIPXVFZSA-N 1 0 436.604 3.128 40 0 IGABRO CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3ccncc3)CC2)C1 ZINC000072380051 556957254 /nfs/dbraw/zinc/95/72/54/556957254.db2.gz FEKVVQSYRJBOAW-HSZRJFAPSA-N 1 0 434.584 3.118 40 0 IGABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4[nH]c5ccc(F)cc5c4C)C[C@H]32)c(OC)n1 ZINC000072392615 556964031 /nfs/dbraw/zinc/96/40/31/556964031.db2.gz VUAWXUVMULXAJA-FPULEUEGSA-N 1 0 426.492 3.152 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc(OC)c1OC ZINC000072393213 556964600 /nfs/dbraw/zinc/96/46/00/556964600.db2.gz WFKFXQUNPCHLOG-QGZVFWFLSA-N 1 0 436.512 3.237 40 0 IGABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000072394868 556966224 /nfs/dbraw/zinc/96/62/24/556966224.db2.gz QJGDJMGWLHRFTJ-RPWUZVMVSA-N 1 0 449.595 3.256 40 0 IGABRO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000020082373 556979049 /nfs/dbraw/zinc/97/90/49/556979049.db2.gz UPMMZHMPCFECTR-OFNKIYASSA-N 1 0 447.587 3.062 40 0 IGABRO C[C@@]12CC[C@@H](C[C@H]1C(=O)N1CC[NH+](C3CCCC3)CC1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000257227248 556983540 /nfs/dbraw/zinc/98/35/40/556983540.db2.gz FOHOCAOJWPUAJL-TZWYQUCASA-N 1 0 436.600 3.451 40 0 IGABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@H+](C)Cc4cccnc4)C3)CC2)cc1 ZINC000585103740 557036404 /nfs/dbraw/zinc/03/64/04/557036404.db2.gz IUVWEKACOFVCCB-DEOSSOPVSA-N 1 0 436.600 3.220 40 0 IGABRO Cc1noc(C)c1C(=O)NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@H+]12 ZINC000585110213 557043433 /nfs/dbraw/zinc/04/34/33/557043433.db2.gz XPRDSBVEBBUICZ-SFTDATJTSA-N 1 0 445.523 3.110 40 0 IGABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCc3ccccc3)cc2c1 ZINC000006198561 557150338 /nfs/dbraw/zinc/15/03/38/557150338.db2.gz DBTFXGCDBJPVIV-UHFFFAOYSA-N 1 0 438.597 3.018 40 0 IGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144206 557171786 /nfs/dbraw/zinc/17/17/86/557171786.db2.gz GXVGHUOLLZELSJ-SANMLTNESA-N 1 0 434.584 3.277 40 0 IGABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(C(=O)Nc2ccc(Cl)cc2)CC3)C1=O ZINC000096144088 557171822 /nfs/dbraw/zinc/17/18/22/557171822.db2.gz LCTSNFVFUBKJPE-HSZRJFAPSA-N 1 0 448.995 3.155 40 0 IGABRO CCc1cccc(NC(=O)N2CCC3(C[N@@H+](CCOC)C[C@@]34CCN(CC)C4=O)CC2)c1 ZINC000096144373 557172469 /nfs/dbraw/zinc/17/24/69/557172469.db2.gz KFHDKRWJWQLOHP-RUZDIDTESA-N 1 0 442.604 3.064 40 0 IGABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)o2)cc1 ZINC000022076224 557173680 /nfs/dbraw/zinc/17/36/80/557173680.db2.gz PWWKZQIQFBZOBX-UHFFFAOYSA-N 1 0 428.510 3.103 40 0 IGABRO COc1ccc(CNC(=O)N2CC[C@H]3[N@H+](C)CC[C@@]3(C(=O)Nc3ccccc3)CC2)cc1 ZINC000096145286 557174565 /nfs/dbraw/zinc/17/45/65/557174565.db2.gz GDGWKXGAKUTVSP-RCZVLFRGSA-N 1 0 436.556 3.330 40 0 IGABRO CN1CC[N@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn21 ZINC000096156642 557181342 /nfs/dbraw/zinc/18/13/42/557181342.db2.gz MMGFOGYHCSIJJG-HSZRJFAPSA-N 1 0 440.551 3.148 40 0 IGABRO C[C@]1(O)CCN(C(=O)c2cccc(OCC[NH+]3CCCC3)c2)C[C@@H]1Oc1cccc(F)c1 ZINC000585262230 557200499 /nfs/dbraw/zinc/20/04/99/557200499.db2.gz NBGQYBNFJGNAOK-ZCYQVOJMSA-N 1 0 442.531 3.345 40 0 IGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]CC2CCCCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382228 557237110 /nfs/dbraw/zinc/23/71/10/557237110.db2.gz LPZHBLYFKADUTE-MOUTVQLLSA-N 1 0 425.573 3.126 40 0 biogenic,in-vitro IGABRO CC[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773640 557265682 /nfs/dbraw/zinc/26/56/82/557265682.db2.gz NMUPNGJJXVESJB-VJBMBRPKSA-N 1 0 437.584 3.111 40 0 IGABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[NH2+]Cc2ccnn2C)CC1 ZINC000100688436 557269895 /nfs/dbraw/zinc/26/98/95/557269895.db2.gz IDRPGFBIVFPGPN-CALCHBBNSA-N 1 0 441.601 3.470 40 0 IGABRO CCC(C)(C)n1nnnc1[C@@H](c1cccc(OC)c1OC)N1CC[NH+](C2CCCC2)CC1 ZINC000022928820 557276542 /nfs/dbraw/zinc/27/65/42/557276542.db2.gz NLUQVCNAVZMNIM-OAQYLSRUSA-N 1 0 442.608 3.485 40 0 IGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000223281730 557455212 /nfs/dbraw/zinc/45/52/12/557455212.db2.gz CERLMMWREAACCI-UXHICEINSA-N 1 0 426.977 3.455 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019499559 557499655 /nfs/dbraw/zinc/49/96/55/557499655.db2.gz ACLDSYZLOSAKRV-OAQYLSRUSA-N 1 0 437.592 3.003 40 0 IGABRO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](CC)CC3)cc2c1 ZINC000019522967 557501510 /nfs/dbraw/zinc/50/15/10/557501510.db2.gz GPDKPDGPRQLMQV-HSZRJFAPSA-N 1 0 449.603 3.309 40 0 IGABRO COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000020139607 557515736 /nfs/dbraw/zinc/51/57/36/557515736.db2.gz NSSCOPPGSUETDZ-NRFANRHFSA-N 1 0 428.581 3.095 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2C)cc1 ZINC000224311062 557589120 /nfs/dbraw/zinc/58/91/20/557589120.db2.gz QJDJCVDIOLWSGN-UHFFFAOYSA-N 1 0 429.586 3.344 40 0 IGABRO CN(Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224412771 557603615 /nfs/dbraw/zinc/60/36/15/557603615.db2.gz DBBRZLUBFSOTBP-UHFFFAOYSA-N 1 0 429.586 3.113 40 0 IGABRO Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1 ZINC000224661093 557637484 /nfs/dbraw/zinc/63/74/84/557637484.db2.gz CTSPKOLZWGBPSJ-FQEVSTJZSA-N 1 0 443.613 3.452 40 0 IGABRO CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc21 ZINC000224698245 557641779 /nfs/dbraw/zinc/64/17/79/557641779.db2.gz GBXRXMIQHHYAAM-UHFFFAOYSA-N 1 0 441.597 3.450 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000224764979 557649231 /nfs/dbraw/zinc/64/92/31/557649231.db2.gz UXTZHNBOZFZBQA-UHFFFAOYSA-N 1 0 435.977 3.018 40 0 IGABRO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224795223 557652075 /nfs/dbraw/zinc/65/20/75/557652075.db2.gz KDMGLPZUMVOHSQ-HSZRJFAPSA-N 1 0 443.613 3.452 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1OCCn1ccnc1 ZINC000585270704 568617306 /nfs/dbraw/zinc/61/73/06/568617306.db2.gz IDULBBIMZKWXJZ-VWLOTQADSA-N 1 0 437.540 3.377 40 0 IGABRO Cc1cc(C)n(CCOc2ccc(CN3CC[C@@](O)(C[NH+]4CCC(F)(F)CC4)C3)cc2)n1 ZINC000585271225 568617582 /nfs/dbraw/zinc/61/75/82/568617582.db2.gz UYXFKATVGMQGAX-HSZRJFAPSA-N 1 0 448.558 3.247 40 0 IGABRO Fc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019332672 568624441 /nfs/dbraw/zinc/62/44/41/568624441.db2.gz FGLIEGHLOOBBOE-FGZHOGPDSA-N 1 0 428.556 3.031 40 0 IGABRO CC1(C)CC(CC(=O)N2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)CC(C)(C)[NH2+]1 ZINC000257225275 568676808 /nfs/dbraw/zinc/67/68/08/568676808.db2.gz FFOITEDGTOEYFY-IBGZPJMESA-N 1 0 438.576 3.462 40 0 IGABRO c1cn2cc(C[C@H]3COCC[N@@H+](Cc4ccccc4OCc4cccnc4)C3)ncc2n1 ZINC000257261623 568693932 /nfs/dbraw/zinc/69/39/32/568693932.db2.gz LIDGNIJELDCECE-OAQYLSRUSA-N 1 0 429.524 3.394 40 0 IGABRO Cc1csc(Nc2cc(C)nc([C@@H]3CN(C(=O)CCn4nccc4C)CCO3)c2)n1 ZINC000257317717 568719232 /nfs/dbraw/zinc/71/92/32/568719232.db2.gz VKWKUEUXUDENPE-IBGZPJMESA-N 1 0 426.546 3.394 40 0 IGABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)Cn1ncc2ccccc2c1=O)[C@H]3Cc1ccccc1 ZINC000257320763 568720071 /nfs/dbraw/zinc/72/00/71/568720071.db2.gz VYMKMQVGGFQSGB-CPASSRBFSA-N 1 0 442.563 3.139 40 0 IGABRO COc1cccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128610 568765480 /nfs/dbraw/zinc/76/54/80/568765480.db2.gz HGDYZSZXUDCTPX-AHKZPQOWSA-N 1 0 443.547 3.487 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccnc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306134811 568768705 /nfs/dbraw/zinc/76/87/05/568768705.db2.gz NYQIWMYXNWKSNZ-RCZVLFRGSA-N 1 0 430.556 3.272 40 0 IGABRO C[NH+](C)[C@H]1CCN(C(=O)c2nc([C@@H]3CCCN3C(=O)c3ccccc3)n3ccccc23)C1 ZINC000306136815 568769701 /nfs/dbraw/zinc/76/97/01/568769701.db2.gz QEBZGFIJQHCRLD-FPOVZHCZSA-N 1 0 431.540 3.088 40 0 IGABRO COc1ncccc1C[N@@H+]1C[C@@H](c2ccnn2C)[C@]2(C1)CCCN(Cc1ccccc1)C2=O ZINC000306138853 568771014 /nfs/dbraw/zinc/77/10/14/568771014.db2.gz SJJKQLNARGGEIS-BKMJKUGQSA-N 1 0 445.567 3.232 40 0 IGABRO Cc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)s1 ZINC000306140186 568771561 /nfs/dbraw/zinc/77/15/61/568771561.db2.gz UMJWDPZYGZCGQF-VWNXMTODSA-N 1 0 434.565 3.244 40 0 IGABRO Cc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)s1 ZINC000306140733 568771592 /nfs/dbraw/zinc/77/15/92/568771592.db2.gz VCJXPADGJDBDSR-VWNXMTODSA-N 1 0 434.565 3.244 40 0 IGABRO O=C(NC1CCC1)c1nnc2n1C[C@@H]1[N@@H+](Cc3ccoc3)CC[C@@]1(c1ccccc1)CC2 ZINC000306141270 568772079 /nfs/dbraw/zinc/77/20/79/568772079.db2.gz VQIJEBGMADOFOU-SQJMNOBHSA-N 1 0 431.540 3.312 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3nccs3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306142644 568772832 /nfs/dbraw/zinc/77/28/32/568772832.db2.gz XFLOQYHMFOJVGT-AUSIDOKSSA-N 1 0 436.585 3.334 40 0 IGABRO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccnn2-c2ccc(OC)cc2)n2ccncc12 ZINC000306142871 568772988 /nfs/dbraw/zinc/77/29/88/568772988.db2.gz XNAXBFGOUCOAPS-UHFFFAOYSA-N 1 0 447.543 3.052 40 0 IGABRO CN1CC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2nc(-c3ccccc3)ncc2C1=O ZINC000306144143 568773621 /nfs/dbraw/zinc/77/36/21/568773621.db2.gz YXIWECAFNNTJQO-UHFFFAOYSA-N 1 0 442.519 3.492 40 0 IGABRO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCOC[C@@]3(CC[C@H](CNC(=O)c4cccnc4)O3)C1)=CC2 ZINC000306143994 568773643 /nfs/dbraw/zinc/77/36/43/568773643.db2.gz YSVHKFWBPCUBDT-XOEOCAAJSA-N 1 0 425.573 3.054 40 0 IGABRO O[C@H](COc1c(F)cc(Br)cc1F)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000001462681 569211156 /nfs/dbraw/zinc/21/11/56/569211156.db2.gz HLTGQAIZUALIRQ-KRWDZBQOSA-N 1 0 441.316 3.285 40 0 IGABRO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019530085 569226841 /nfs/dbraw/zinc/22/68/41/569226841.db2.gz IGHUZOYNVWEOHN-NFBKMPQASA-N 1 0 428.508 3.288 40 0 IGABRO COc1ccc(CN2C(=O)CCCC[C@H]3[N@H+](Cc4cnc(N(C)C)nc4)CC[C@]32C)cc1 ZINC000019713674 569235591 /nfs/dbraw/zinc/23/55/91/569235591.db2.gz GGQSTZOMXHDVGM-RCZVLFRGSA-N 1 0 437.588 3.487 40 0 IGABRO Cc1nc([C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019758000 569237408 /nfs/dbraw/zinc/23/74/08/569237408.db2.gz DISZNFAKTHGLMY-GOSISDBHSA-N 1 0 439.535 3.224 40 0 IGABRO CNc1cc(C[NH+](C)C)nc([C@@H]2CCCN2C(=O)CCc2cc3c(cc2OC)CCC3)n1 ZINC000019759171 569237485 /nfs/dbraw/zinc/23/74/85/569237485.db2.gz UDQMGQGBPQOXRK-NRFANRHFSA-N 1 0 437.588 3.374 40 0 IGABRO COc1ccc([C@]2(O)C[N+](c3c(C)n(C)n(-c4ccccc4)c3=O)=C3CCCCCN32)cc1 ZINC000027525033 569262994 /nfs/dbraw/zinc/26/29/94/569262994.db2.gz REMVYUHTPZYPED-AREMUKBSSA-N 1 0 447.559 3.143 40 0 IGABRO COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000252514995 569288171 /nfs/dbraw/zinc/28/81/71/569288171.db2.gz FRTPTKAXFMZUJC-ZRCGQRJVSA-N 1 0 446.569 3.166 40 0 IGABRO COc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218109594 569456352 /nfs/dbraw/zinc/45/63/52/569456352.db2.gz FRTPTKAXFMZUJC-MZKRTTBSSA-N 1 0 446.569 3.166 40 0 IGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242574887 569462045 /nfs/dbraw/zinc/46/20/45/569462045.db2.gz NHXYXGLVSUDYEB-YQVWRLOYSA-N 1 0 428.337 3.441 40 0 IGABRO COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4C[NH2+]Cc3ccccn3)n(C)n2)cc1OC ZINC000095252494 123391100 /nfs/dbraw/zinc/39/11/00/123391100.db2.gz PBOFHRFMHANGQL-BWAGFHJFSA-N 1 0 447.583 3.467 40 0 biogenic,in-vitro IGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCN(C)CC2)Cc2cn(Cc3ccccn3)c3cccc1c23 ZINC000049171680 291354205 /nfs/dbraw/zinc/35/42/05/291354205.db2.gz IWPQVBXHMINLTJ-ZEQRLZLVSA-N 1 0 445.611 3.460 40 0 biogenic,in-vitro IGABRO Cc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000021961680 525217328 /nfs/dbraw/zinc/21/73/28/525217328.db2.gz OCANWQYSALXVTE-UHFFFAOYSA-N 1 0 429.586 3.063 40 0 IGABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843153 526196329 /nfs/dbraw/zinc/19/63/29/526196329.db2.gz OITGREQAXLVEJB-GBPOLFSSSA-N 1 0 439.874 3.219 40 0 IGABRO [NH3+][C@@H]1C[C@H]1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 ZINC000069476344 527377930 /nfs/dbraw/zinc/37/79/30/527377930.db2.gz DTPSXFMGMQOVTG-GVAUOCQISA-N 1 0 443.547 3.385 40 0 IGABRO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000034701063 555821357 /nfs/dbraw/zinc/82/13/57/555821357.db2.gz QJSXYMDBXXURBE-ZUVQJFRASA-N 1 0 429.520 3.149 40 0 IGABRO NC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000005023306 556028895 /nfs/dbraw/zinc/02/88/95/556028895.db2.gz IKWSULXYCUQIIT-NRFANRHFSA-N 1 0 433.512 3.337 40 0 IGABRO C[C@H](C(=O)NCCC[NH+]1CCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000010279294 556329435 /nfs/dbraw/zinc/32/94/35/556329435.db2.gz MNMBMLGRMPTKME-CQSZACIVSA-N 1 0 436.405 3.140 40 0 IGABRO COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030941927 556516216 /nfs/dbraw/zinc/51/62/16/556516216.db2.gz BQSUKJGRTGIHSW-LJQANCHMSA-N 1 0 427.520 3.443 40 0 IGABRO Cc1cccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c1C ZINC000013669945 556550761 /nfs/dbraw/zinc/55/07/61/556550761.db2.gz SQGXERMYUSWSNH-UHFFFAOYSA-N 1 0 429.586 3.101 40 0 IGABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000013670935 556551714 /nfs/dbraw/zinc/55/17/14/556551714.db2.gz NULOWMWJMVAUOV-UHFFFAOYSA-N 1 0 436.405 3.142 40 0 IGABRO CC1CC[NH+](CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000013674634 556554002 /nfs/dbraw/zinc/55/40/02/556554002.db2.gz UERRPYFAHYMNTF-UHFFFAOYSA-N 1 0 429.586 3.120 40 0 IGABRO O=C(NCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038831114 556621823 /nfs/dbraw/zinc/62/18/23/556621823.db2.gz HGQQPJFDGUWNDN-HSZRJFAPSA-N 1 0 425.548 3.186 40 0 IGABRO Cc1cc(=O)oc2cc(OC(=O)[C@@H](CCCC[NH3+])NC(=O)OCc3ccccc3)ccc12 ZINC000017059976 556654653 /nfs/dbraw/zinc/65/46/53/556654653.db2.gz YXRJQLBRVNGKDK-HXUWFJFHSA-N 1 0 438.480 3.431 40 0 IGABRO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000044872597 556673431 /nfs/dbraw/zinc/67/34/31/556673431.db2.gz NVOKKQMNRZMXLI-QFIPXVFZSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1C ZINC000044873725 556673755 /nfs/dbraw/zinc/67/37/55/556673755.db2.gz PYEXMUUNXNYWLR-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1NC(C)=O ZINC000019022145 556693968 /nfs/dbraw/zinc/69/39/68/556693968.db2.gz NPBYOONDNRFLRE-RTWAWAEBSA-N 1 0 444.503 3.177 40 0 IGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1NC(C)=O ZINC000019022166 556694000 /nfs/dbraw/zinc/69/40/00/556694000.db2.gz JQYYYIWQBBDJMZ-LEWJYISDSA-N 1 0 426.513 3.038 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1F ZINC000257317889 556703938 /nfs/dbraw/zinc/70/39/38/556703938.db2.gz VLPHBHBXIOJSRW-SONWIMMPSA-N 1 0 444.522 3.268 40 0 IGABRO O[C@H]1C[N@H+](Cc2cccc(OCc3cccnc3)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000257245112 556710698 /nfs/dbraw/zinc/71/06/98/556710698.db2.gz IOCMYNJUOSWBFQ-SVBPBHIXSA-N 1 0 444.579 3.028 40 0 IGABRO Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@H+](C3CCC(C)CC3)CC4)C2)cn1 ZINC000019214858 556711582 /nfs/dbraw/zinc/71/15/82/556711582.db2.gz KERRVFVDHYSZDF-TWMPVWRBSA-N 1 0 449.599 3.430 40 0 IGABRO Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CC3CCCCC3)[nH]c(=O)c2C1 ZINC000019239487 556725004 /nfs/dbraw/zinc/72/50/04/556725004.db2.gz SEGNFWYNDGBOGC-JOCHJYFZSA-N 1 0 435.572 3.389 40 0 IGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000019334088 556737895 /nfs/dbraw/zinc/73/78/95/556737895.db2.gz MOJHCVBBIUUXPT-JOCHJYFZSA-N 1 0 436.535 3.409 40 0 IGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCCO2 ZINC000019345587 556742559 /nfs/dbraw/zinc/74/25/59/556742559.db2.gz QSPNGYMPRPVUAK-WOJBJXKFSA-N 1 0 429.488 3.371 40 0 IGABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](Cc4cccs4)C3)nc2C1 ZINC000019347701 556743501 /nfs/dbraw/zinc/74/35/01/556743501.db2.gz RKEGDRHQEQHFHQ-HNNXBMFYSA-N 1 0 438.528 3.159 40 0 IGABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 ZINC000019499333 556771510 /nfs/dbraw/zinc/77/15/10/556771510.db2.gz HHJDTXGUTPFTRZ-VXKWHMMOSA-N 1 0 440.540 3.428 40 0 IGABRO CCN(CC)c1ncc2c(cc(C3CC[NH+](CC(=O)N4CCC(C)CC4)CC3)[nH]c2=O)n1 ZINC000019526548 556784967 /nfs/dbraw/zinc/78/49/67/556784967.db2.gz MICNEAOXFGOVDI-UHFFFAOYSA-N 1 0 440.592 3.015 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1 ZINC000019555248 556798347 /nfs/dbraw/zinc/79/83/47/556798347.db2.gz NGKKMGPGQAYMMI-HSZRJFAPSA-N 1 0 448.571 3.278 40 0 IGABRO COc1cccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)CCCN4C(=O)C3CC3)CC2)c1 ZINC000019565844 556806453 /nfs/dbraw/zinc/80/64/53/556806453.db2.gz FAASRWSTSUMGGK-VWLOTQADSA-N 1 0 435.568 3.240 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=S)NC[C@@H]1CCCO1 ZINC000004133642 556819561 /nfs/dbraw/zinc/81/95/61/556819561.db2.gz ZHUOZEBNUNYRGO-FQEVSTJZSA-N 1 0 430.618 3.034 40 0 IGABRO Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019583533 556820877 /nfs/dbraw/zinc/82/08/77/556820877.db2.gz VLSPEKIFYQMPLK-OAQYLSRUSA-N 1 0 438.576 3.282 40 0 IGABRO CCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)CC(C)(C)C[NH+](C)C ZINC000004985239 556826100 /nfs/dbraw/zinc/82/61/00/556826100.db2.gz XPMLXDCQYAAMOM-UHFFFAOYSA-N 1 0 427.622 3.260 40 0 IGABRO Cc1cccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1 ZINC000006442376 556835622 /nfs/dbraw/zinc/83/56/22/556835622.db2.gz XJBUIHJHDMBXMC-UHFFFAOYSA-N 1 0 438.553 3.326 40 0 IGABRO CNc1nc([C@@H]2CCCCN2C(=O)CC2=CC(C)(C)[NH2+]C(C)(C)C2)nc2c1CCN(C)C2 ZINC000019708664 556869714 /nfs/dbraw/zinc/86/97/14/556869714.db2.gz XYAVJFAXURNMEW-FQEVSTJZSA-N 1 0 440.636 3.427 40 0 IGABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2)n1 ZINC000019710044 556871956 /nfs/dbraw/zinc/87/19/56/556871956.db2.gz OFOGQWJFUHDSPQ-GOSISDBHSA-N 1 0 439.604 3.345 40 0 IGABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(NCCOc3ccc(C)cc3C)c2C1 ZINC000019711304 556875507 /nfs/dbraw/zinc/87/55/07/556875507.db2.gz YFVMTGCXUWAXTB-HXUWFJFHSA-N 1 0 437.588 3.298 40 0 IGABRO Cc1nc([C@H]2CCCN2C(=O)C[NH+]2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019740778 556881743 /nfs/dbraw/zinc/88/17/43/556881743.db2.gz BJVKGXVLYGCTJZ-OAQYLSRUSA-N 1 0 433.556 3.024 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000072330599 556906552 /nfs/dbraw/zinc/90/65/52/556906552.db2.gz GOBCVBYSUUZRQR-UCFCWBNQSA-N 1 0 439.556 3.347 40 0 IGABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764394 556909007 /nfs/dbraw/zinc/90/90/07/556909007.db2.gz PGEUTLWLMAOTIT-NRFANRHFSA-N 1 0 439.535 3.004 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409053427 556931763 /nfs/dbraw/zinc/93/17/63/556931763.db2.gz KBBNTXANBGMEOX-CLCXKLDUSA-O 1 0 428.512 3.410 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1 ZINC000409052138 556933378 /nfs/dbraw/zinc/93/33/78/556933378.db2.gz BXZITQFICAQWQC-CLCXKLDUSA-O 1 0 428.512 3.410 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccccc2)cc1 ZINC000409052149 556933619 /nfs/dbraw/zinc/93/36/19/556933619.db2.gz BXZITQFICAQWQC-YCAYNYMGSA-O 1 0 428.512 3.410 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409056287 556933830 /nfs/dbraw/zinc/93/38/30/556933830.db2.gz CGCCXPJXJJDXEY-LMOLPZMTSA-O 1 0 432.475 3.159 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000409057691 556934934 /nfs/dbraw/zinc/93/49/34/556934934.db2.gz WASVGWJTFZHOCI-OLMNJFBISA-O 1 0 444.511 3.110 40 0 IGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000409058786 556935878 /nfs/dbraw/zinc/93/58/78/556935878.db2.gz LGDIEOOEKXLVBN-MKTJXXHISA-O 1 0 449.328 3.465 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409054715 556938125 /nfs/dbraw/zinc/93/81/25/556938125.db2.gz NMPDOWXODPLIRY-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409055678 556938800 /nfs/dbraw/zinc/93/88/00/556938800.db2.gz CZHZASLUVXQGAB-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409055771 556939127 /nfs/dbraw/zinc/93/91/27/556939127.db2.gz BBBXDKNDZVLJKG-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO O=C(C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373080 556945444 /nfs/dbraw/zinc/94/54/44/556945444.db2.gz DANDSPJTPYRIPI-PKTZIBPZSA-N 1 0 448.611 3.240 40 0 IGABRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3cnccn3)cc(C)[nH+]2)C1 ZINC000072375033 556950540 /nfs/dbraw/zinc/95/05/40/556950540.db2.gz RMHJNTQHLMDELT-MRXNPFEDSA-N 1 0 428.518 3.097 40 0 IGABRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ncccn3)cc(C)[nH+]2)C1 ZINC000072375031 556950605 /nfs/dbraw/zinc/95/06/05/556950605.db2.gz QZLRGHSBBGNFRD-MRXNPFEDSA-N 1 0 428.518 3.097 40 0 IGABRO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccc5c(c4)C[C@H](C)O5)C[C@@H]32)c(OCC)n1 ZINC000072395420 556967262 /nfs/dbraw/zinc/96/72/62/556967262.db2.gz KVUMVRUDRHZFNV-RCBMLXARSA-N 1 0 439.556 3.327 40 0 IGABRO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4ccc5c(c4)C[C@@H](C)O5)C[C@@H]32)c(OCC)n1 ZINC000072395421 556967388 /nfs/dbraw/zinc/96/73/88/556967388.db2.gz KVUMVRUDRHZFNV-VHAOLELVSA-N 1 0 439.556 3.327 40 0 IGABRO COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000020049861 556974634 /nfs/dbraw/zinc/97/46/34/556974634.db2.gz JJINEQVEKRIPFU-UHFFFAOYSA-N 1 0 431.558 3.230 40 0 IGABRO COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106081 557039613 /nfs/dbraw/zinc/03/96/13/557039613.db2.gz KBBUUHDUYDGSMA-UXHICEINSA-N 1 0 445.991 3.191 40 0 IGABRO C[N@@H+]1Cc2cccc(-c3cnc4n3CCN(C(=O)CCOc3ccc(F)cc3)CC4)c2C1 ZINC000585111175 557045804 /nfs/dbraw/zinc/04/58/04/557045804.db2.gz HQNVIBQAYMSSAV-UHFFFAOYSA-N 1 0 434.515 3.488 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NC[C@@H]1CCCO1 ZINC000006193327 557148417 /nfs/dbraw/zinc/14/84/17/557148417.db2.gz YGZLXHIKVQCLMK-NRFANRHFSA-N 1 0 444.645 3.342 40 0 IGABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000006197731 557149420 /nfs/dbraw/zinc/14/94/20/557149420.db2.gz ITBDMULKWBQFJT-OAQYLSRUSA-N 1 0 444.645 3.288 40 0 IGABRO COCCN1CC2(CC[NH+](Cc3ccsc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037173 557164240 /nfs/dbraw/zinc/16/42/40/557164240.db2.gz KLVSOSNOHMPAQR-UHFFFAOYSA-N 1 0 436.599 3.060 40 0 IGABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCC[C@@]4(C)[C@H]3CCCCN4C(C)=O)CC2)c1 ZINC000585262962 557203346 /nfs/dbraw/zinc/20/33/46/557203346.db2.gz RVCYMPYUGLJDKM-RPWUZVMVSA-N 1 0 429.605 3.282 40 0 IGABRO CCc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000010278338 557212750 /nfs/dbraw/zinc/21/27/50/557212750.db2.gz AZFHSQHBKYTJPX-UHFFFAOYSA-N 1 0 443.613 3.437 40 0 IGABRO CC1CC[NH+](CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000010540895 557222161 /nfs/dbraw/zinc/22/21/61/557222161.db2.gz RCAOHPJGRLZQHH-UHFFFAOYSA-N 1 0 442.025 3.366 40 0 IGABRO Cc1ccc(OCC2(O)CC[NH+](CC3(O)CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000585283703 557223203 /nfs/dbraw/zinc/22/32/03/557223203.db2.gz TXYVPAAKCXYDCN-UHFFFAOYSA-N 1 0 428.548 3.371 40 0 IGABRO O[C@@]1(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585284953 557224379 /nfs/dbraw/zinc/22/43/79/557224379.db2.gz BDQGSCPVHYQQPR-GPUOULLFSA-N 1 0 429.532 3.357 40 0 IGABRO FC(F)(F)Oc1ccc(CN2CC3(C2)C[N@H+](Cc2ccccc2)C[C@@H]2COCCN23)cc1 ZINC000604381070 557236219 /nfs/dbraw/zinc/23/62/19/557236219.db2.gz CXYBFKAIHPFTSE-OAQYLSRUSA-N 1 0 447.501 3.356 40 0 biogenic,in-vitro IGABRO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000057774110 557263703 /nfs/dbraw/zinc/26/37/03/557263703.db2.gz HHGROGBGSYVBIY-CYFREDJKSA-N 1 0 427.545 3.205 40 0 IGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000057774100 557263732 /nfs/dbraw/zinc/26/37/32/557263732.db2.gz HHGROGBGSYVBIY-NTKDMRAZSA-N 1 0 427.545 3.205 40 0 IGABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)C1 ZINC000260561485 557264284 /nfs/dbraw/zinc/26/42/84/557264284.db2.gz GQCMPHYTDAPQLZ-IBGZPJMESA-N 1 0 429.586 3.364 40 0 IGABRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@H]2CCCO2)cc1OC ZINC000013994257 557400974 /nfs/dbraw/zinc/40/09/74/557400974.db2.gz ABFDCBGVRKDYKQ-LJQANCHMSA-N 1 0 425.529 3.075 40 0 IGABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1nccs1 ZINC000223257140 557451569 /nfs/dbraw/zinc/45/15/69/557451569.db2.gz IVPSQRMKMBXMDP-OALUTQOASA-N 1 0 426.615 3.480 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000019499601 557499720 /nfs/dbraw/zinc/49/97/20/557499720.db2.gz NMXBNCNXVPJUSG-NRFANRHFSA-N 1 0 437.592 3.003 40 0 IGABRO COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019556098 557500658 /nfs/dbraw/zinc/50/06/58/557500658.db2.gz JEDYDGPKXXCAMR-XMMPIXPASA-N 1 0 432.572 3.380 40 0 IGABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC000224518748 557615478 /nfs/dbraw/zinc/61/54/78/557615478.db2.gz KMDRZPSSKJNQQA-UHFFFAOYSA-N 1 0 427.570 3.060 40 0 IGABRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224528536 557616876 /nfs/dbraw/zinc/61/68/76/557616876.db2.gz LPVQKLMLALBZCT-GOSISDBHSA-N 1 0 447.576 3.283 40 0 IGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000224628455 557632973 /nfs/dbraw/zinc/63/29/73/557632973.db2.gz ICROBMYZSMTAGT-UHFFFAOYSA-N 1 0 441.597 3.138 40 0 IGABRO CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1F ZINC000224633552 557633948 /nfs/dbraw/zinc/63/39/48/557633948.db2.gz SNTPACUJCGILLU-UHFFFAOYSA-N 1 0 447.576 3.284 40 0 IGABRO CCc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1 ZINC000224658178 557637072 /nfs/dbraw/zinc/63/70/72/557637072.db2.gz DRXSRIOIRTUJGJ-UHFFFAOYSA-N 1 0 443.613 3.317 40 0 IGABRO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1N(C)S(C)(=O)=O ZINC000224694521 557641252 /nfs/dbraw/zinc/64/12/52/557641252.db2.gz IZCPATBWPOLJTQ-UHFFFAOYSA-N 1 0 429.586 3.307 40 0 IGABRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000224815898 557655029 /nfs/dbraw/zinc/65/50/29/557655029.db2.gz RLMRENUPJJSZPO-IBGZPJMESA-N 1 0 429.586 3.143 40 0 IGABRO CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC4CC[NH+](C)CC4)cc3)ccc21 ZINC000225628824 557754108 /nfs/dbraw/zinc/75/41/08/557754108.db2.gz FLCMUSPEFCHFBU-UHFFFAOYSA-N 1 0 443.569 3.260 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000260793208 557856161 /nfs/dbraw/zinc/85/61/61/557856161.db2.gz LSTAYTZOBREUSX-IBGZPJMESA-N 1 0 439.622 3.012 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000260839138 557859063 /nfs/dbraw/zinc/85/90/63/557859063.db2.gz JAOBQDCMVZLATF-IBGZPJMESA-N 1 0 439.622 3.012 40 0 IGABRO CC(C)(C)c1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)N2CCN(Cc3ccccc3)CC2)no1 ZINC000015673249 560230566 /nfs/dbraw/zinc/23/05/66/560230566.db2.gz GZWKCTZFBWEHBE-VXKWHMMOSA-N 1 0 438.616 3.475 40 0 biogenic,in-vitro IGABRO Cc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1 ZINC000260886057 568627002 /nfs/dbraw/zinc/62/70/02/568627002.db2.gz CTSPKOLZWGBPSJ-HXUWFJFHSA-N 1 0 443.613 3.452 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000260910227 568629212 /nfs/dbraw/zinc/62/92/12/568629212.db2.gz XJNRDXLYTJZKJF-LEWJYISDSA-N 1 0 435.634 3.167 40 0 IGABRO Cn1cnc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]4[N@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)c1 ZINC000257217443 568673191 /nfs/dbraw/zinc/67/31/91/568673191.db2.gz CYYLNHLZILOCCB-XANJAXJYSA-N 1 0 428.602 3.057 40 0 IGABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)COCCN4CCCC4=O)C3)c2)cc1 ZINC000257234963 568681304 /nfs/dbraw/zinc/68/13/04/568681304.db2.gz GVUPPWFEZUIHJY-FQEVSTJZSA-N 1 0 436.556 3.397 40 0 IGABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257259150 568692717 /nfs/dbraw/zinc/69/27/17/568692717.db2.gz KXBWPBTYGSOGHB-HXUWFJFHSA-N 1 0 426.536 3.013 40 0 IGABRO CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1Oc1ccccc1 ZINC000257297431 568710178 /nfs/dbraw/zinc/71/01/78/568710178.db2.gz RHFOSGBHBZXDSA-ZCYQVOJMSA-N 1 0 449.595 3.427 40 0 IGABRO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccccc1N1CCCCC1)CC2 ZINC000257312436 568716676 /nfs/dbraw/zinc/71/66/76/568716676.db2.gz UNYGZCGLYCBAOZ-OAQYLSRUSA-N 1 0 448.615 3.403 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccncc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132448 568767120 /nfs/dbraw/zinc/76/71/20/568767120.db2.gz LJDABMSMVDASKM-DHLKQENFSA-N 1 0 430.556 3.272 40 0 IGABRO Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCC[N@H+](Cc4ccc5c(c4)CCO5)C3)O2)cc1 ZINC000306134653 568768800 /nfs/dbraw/zinc/76/88/00/568768800.db2.gz NUMOBBOYWOKWBD-BVAGGSTKSA-N 1 0 436.552 3.110 40 0 IGABRO COc1ccc(OC)c(CNC(=O)c2nc(-c3ccn(CC[NH+](C)C)c3)n3ccccc23)c1 ZINC000306140324 568771754 /nfs/dbraw/zinc/77/17/54/568771754.db2.gz UPUVQNRRAMDCDQ-UHFFFAOYSA-N 1 0 447.539 3.312 40 0 IGABRO Cc1nc(CN2CCC[C@]3(C[N@@H+](Cc4nccs4)C[C@H]3c3ccnn3C)C2=O)cs1 ZINC000306141145 568771899 /nfs/dbraw/zinc/77/18/99/568771899.db2.gz VMMJMNPEFDIFLO-LAUBAEHRSA-N 1 0 442.614 3.050 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3nccs3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306142645 568772846 /nfs/dbraw/zinc/77/28/46/568772846.db2.gz XFLOQYHMFOJVGT-CVDCTZTESA-N 1 0 436.585 3.334 40 0 IGABRO CCc1ccc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccc(OC)cc4)C[C@@H]3C2)cc1 ZINC000306143612 568773434 /nfs/dbraw/zinc/77/34/34/568773434.db2.gz YGUBNFUUUQXPQC-WOJBJXKFSA-N 1 0 431.540 3.406 40 0 IGABRO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccncc2)nc(NCC[NH+](C)C)n1 ZINC000328969424 568807982 /nfs/dbraw/zinc/80/79/82/568807982.db2.gz DDVSFLVJBAXYGB-UHFFFAOYSA-N 1 0 441.377 3.479 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccn2)n1 ZINC000329065629 568811040 /nfs/dbraw/zinc/81/10/40/568811040.db2.gz XSTFKGQCZYXKTR-UHFFFAOYSA-N 1 0 445.340 3.391 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000019499534 568876061 /nfs/dbraw/zinc/87/60/61/568876061.db2.gz BVWDUWPHHXZSOI-OAQYLSRUSA-N 1 0 437.592 3.003 40 0 IGABRO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C1)OCCO2 ZINC000019698959 569327080 /nfs/dbraw/zinc/32/70/80/569327080.db2.gz YULKETIKFSJIRS-QGZVFWFLSA-N 1 0 448.523 3.335 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(F)c3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218661005 569458973 /nfs/dbraw/zinc/45/89/73/569458973.db2.gz ZFRBBAVBSOTKFN-CNNODRBYSA-N 1 0 434.533 3.296 40 0 IGABRO CC1=C[C@@H](C[NH+]2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 ZINC000030882893 291354343 /nfs/dbraw/zinc/35/43/43/291354343.db2.gz WVKUKLQBSBBKHV-VABKMULXSA-N 1 0 439.604 3.139 40 0 biogenic,in-vitro IGABRO COc1ccc(OC)c(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c1 ZINC000012328070 524824709 /nfs/dbraw/zinc/82/47/09/524824709.db2.gz PZWUKXRTRPZNTP-UHFFFAOYSA-N 1 0 441.553 3.016 40 0 IGABRO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000012375977 527019386 /nfs/dbraw/zinc/01/93/86/527019386.db2.gz JVESHZXYSZWELV-JOCHJYFZSA-N 1 0 428.488 3.465 40 0 IGABRO COc1ccc([C@H]2[C@@H]3CCC[C@H]([C@@H](c4ccc(OC)cc4)N2C)C32NC(=O)NC2=O)cc1 ZINC000005618544 556060651 /nfs/dbraw/zinc/06/06/51/556060651.db2.gz VTJKPXDJRWVZTI-BWIXQKSYSA-N 1 0 435.524 3.426 40 0 IGABRO CC(=O)N[C@H](C)c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000036719500 556309600 /nfs/dbraw/zinc/30/96/00/556309600.db2.gz BWLDJMQUHANBJD-UZFJHSOTSA-N 1 0 442.531 3.407 40 0 IGABRO CC(C)(C)c1cc2nc(C3CC[NH+](Cc4ccnc(N5CCCC5)n4)CC3)cc(N)n2n1 ZINC000012154669 556402748 /nfs/dbraw/zinc/40/27/48/556402748.db2.gz OPPOITZHYBMIMM-UHFFFAOYSA-N 1 0 434.592 3.379 40 0 IGABRO CS(=O)(=O)N(Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000013612102 556534637 /nfs/dbraw/zinc/53/46/37/556534637.db2.gz YKYNRYZQOVYDGU-UHFFFAOYSA-N 1 0 429.586 3.259 40 0 IGABRO COc1ccc(N2CN(CCC[NH+](C)C)Cn3c(=O)c(Cc4ccccc4)c(C)nc32)cc1 ZINC000038829973 556621272 /nfs/dbraw/zinc/62/12/72/556621272.db2.gz UZPNYJOJBIHNAO-UHFFFAOYSA-N 1 0 447.583 3.472 40 0 IGABRO Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@H+](C3CCC(C)CC3)CC4)C2)cn1 ZINC000019214861 556711605 /nfs/dbraw/zinc/71/16/05/556711605.db2.gz KERRVFVDHYSZDF-SGDIKTSBSA-N 1 0 449.599 3.430 40 0 IGABRO Cc1cccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)c1 ZINC000257278638 556714619 /nfs/dbraw/zinc/71/46/19/556714619.db2.gz OCZZAGHMLRRFQI-KLJDGLGGSA-N 1 0 436.596 3.423 40 0 IGABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(OCc2cccnc2)c1 ZINC000257302214 556717522 /nfs/dbraw/zinc/71/75/22/556717522.db2.gz SBZDGXCDYXJMNP-VWLOTQADSA-N 1 0 430.552 3.093 40 0 IGABRO COc1ccc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccccc3OC)c(=O)[nH]c2c1 ZINC000000880716 556732607 /nfs/dbraw/zinc/73/26/07/556732607.db2.gz MUCUSLCHNNNJIB-UHFFFAOYSA-N 1 0 440.569 3.306 40 0 IGABRO O=C([C@H]1CC=CCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343599 556741527 /nfs/dbraw/zinc/74/15/27/556741527.db2.gz DQOYQWZNYMWPOF-ZWKOTPCHSA-N 1 0 438.597 3.452 40 0 IGABRO O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019370649 556747795 /nfs/dbraw/zinc/74/77/95/556747795.db2.gz AWJYYSSSFYLBKL-HXUWFJFHSA-N 1 0 434.584 3.409 40 0 IGABRO O=C(Nc1nccs1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372484 556749230 /nfs/dbraw/zinc/74/92/30/556749230.db2.gz HUGGLBGGEVAGSD-OALUTQOASA-N 1 0 434.569 3.388 40 0 IGABRO O=C(Cc1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019401213 556753546 /nfs/dbraw/zinc/75/35/46/556753546.db2.gz VAYHYYXWHDCFJF-QFIPXVFZSA-N 1 0 435.572 3.010 40 0 IGABRO O=C(Cc1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019401222 556753944 /nfs/dbraw/zinc/75/39/44/556753944.db2.gz XJIJUHNPFOIZEC-HSZRJFAPSA-N 1 0 449.599 3.400 40 0 IGABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)n1 ZINC000019404129 556754123 /nfs/dbraw/zinc/75/41/23/556754123.db2.gz HCZTWEIENMXBHP-LEWJYISDSA-N 1 0 436.604 3.468 40 0 IGABRO COc1ccc(CN2CCc3nc(-c4ccncc4)nc(N[C@@H](C)C[NH+](C)C)c3C2)cc1 ZINC000019455929 556765632 /nfs/dbraw/zinc/76/56/32/556765632.db2.gz GMXNQEQRJJONSH-SFHVURJKSA-N 1 0 432.572 3.468 40 0 IGABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000019499332 556771221 /nfs/dbraw/zinc/77/12/21/556771221.db2.gz HHJDTXGUTPFTRZ-FGZHOGPDSA-N 1 0 440.540 3.428 40 0 IGABRO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c2cc(OC)ccc21 ZINC000019524741 556782179 /nfs/dbraw/zinc/78/21/79/556782179.db2.gz PCFHNJDEKMDDDC-WPUZRXDDSA-N 1 0 436.556 3.093 40 0 IGABRO COc1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)ccc1OC(F)F ZINC000019550114 556795109 /nfs/dbraw/zinc/79/51/09/556795109.db2.gz KFJYKWLSJXATNR-UHFFFAOYSA-N 1 0 428.439 3.043 40 0 IGABRO Cc1nc(C2CC[NH2+]CC2)ncc1-c1nc(N2CCOCC2)ncc1-c1ccc(F)cc1 ZINC000019552672 556796547 /nfs/dbraw/zinc/79/65/47/556796547.db2.gz FQJOCJHOOKWWOR-UHFFFAOYSA-N 1 0 434.519 3.352 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)C[C@@H]2O ZINC000019563059 556804061 /nfs/dbraw/zinc/80/40/61/556804061.db2.gz WDRBPAHSIAGERI-SFTDATJTSA-N 1 0 441.524 3.241 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000019570578 556810836 /nfs/dbraw/zinc/81/08/36/556810836.db2.gz YOPAFSIOMFULCR-AZUAARDMSA-N 1 0 448.567 3.421 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000019570581 556810890 /nfs/dbraw/zinc/81/08/90/556810890.db2.gz YOPAFSIOMFULCR-ICSRJNTNSA-N 1 0 448.567 3.421 40 0 IGABRO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)ccc21 ZINC000019572457 556812728 /nfs/dbraw/zinc/81/27/28/556812728.db2.gz IIPOHVYZKLLBPF-DEOSSOPVSA-N 1 0 428.598 3.387 40 0 IGABRO Cc1noc(C)c1C(=O)N1Cc2ccccc2OC2(CCC([NH+]3CCOCC3)CC2)C1 ZINC000019580169 556818232 /nfs/dbraw/zinc/81/82/32/556818232.db2.gz NCKIOAPCQITNFO-UHFFFAOYSA-N 1 0 425.529 3.340 40 0 IGABRO COCC[N@@H+]1C[C@H](c2ccccc2)OC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)C1 ZINC000019593387 556829850 /nfs/dbraw/zinc/82/98/50/556829850.db2.gz GBSKZWCFBODMNI-XMMPIXPASA-N 1 0 438.568 3.319 40 0 IGABRO Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)nc1 ZINC000019690541 556846588 /nfs/dbraw/zinc/84/65/88/556846588.db2.gz IVLZGHZTXHGHDK-DEOSSOPVSA-N 1 0 448.611 3.097 40 0 IGABRO COc1ccc(CN2CCCc3c(C)nc([C@H]4CCCN(C(=O)C[NH+](C)C)C4)nc32)cc1 ZINC000019706542 556864748 /nfs/dbraw/zinc/86/47/48/556864748.db2.gz JAVXCLQMGYKTFW-FQEVSTJZSA-N 1 0 437.588 3.014 40 0 IGABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(NCCOc3ccc(C)cc3C)c2C1 ZINC000019711305 556875443 /nfs/dbraw/zinc/87/54/43/556875443.db2.gz YFVMTGCXUWAXTB-FQEVSTJZSA-N 1 0 437.588 3.298 40 0 IGABRO COc1ccc(CCNc2nc([C@H]3CCC[N@H+](C)C3)nc3c2CN(C(C)=O)CC3)cc1C ZINC000019711314 556875533 /nfs/dbraw/zinc/87/55/33/556875533.db2.gz YMVTYAIPOBJJOD-FQEVSTJZSA-N 1 0 437.588 3.162 40 0 IGABRO COc1ccc(CCCNc2nc([C@@H]3CCC[N@H+](C)C3)nc3c2CN(C(C)=O)CC3)cc1 ZINC000019711331 556875694 /nfs/dbraw/zinc/87/56/94/556875694.db2.gz VMKLGKBETQHVAP-HXUWFJFHSA-N 1 0 437.588 3.244 40 0 IGABRO COc1ccc(CCCNc2nc([C@H]3CCC[N@H+](C)C3)nc3c2CN(C(C)=O)CC3)cc1 ZINC000019711332 556875807 /nfs/dbraw/zinc/87/58/07/556875807.db2.gz VMKLGKBETQHVAP-FQEVSTJZSA-N 1 0 437.588 3.244 40 0 IGABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019740994 556882235 /nfs/dbraw/zinc/88/22/35/556882235.db2.gz MRDDZZCXXHKHDS-QFIPXVFZSA-N 1 0 447.583 3.414 40 0 IGABRO Cn1c(=O)c2c(C(F)(F)F)cc(C3CC[NH+](CCc4ccccc4)CC3)nc2n(C)c1=O ZINC000019744807 556891408 /nfs/dbraw/zinc/89/14/08/556891408.db2.gz GQMVGLSHWDKPJV-UHFFFAOYSA-N 1 0 446.473 3.073 40 0 IGABRO CCn1cc(C[NH+]2CCC3(C[C@]4(CO3)NC(=O)c3cc(Cl)ccc3N4)CC2)c(C)n1 ZINC000072325631 556902954 /nfs/dbraw/zinc/90/29/54/556902954.db2.gz PVQBOMNKRXQQLV-JOCHJYFZSA-N 1 0 429.952 3.172 40 0 IGABRO CC(C)CNC(=O)c1cc([C@H]2CC[N@H+](Cc3cnc(N(C)C)nc3)C2)nc2ccccc21 ZINC000019761382 556904743 /nfs/dbraw/zinc/90/47/43/556904743.db2.gz KMYAXFDTRIEENV-IBGZPJMESA-N 1 0 432.572 3.466 40 0 IGABRO O=C(C[NH+]1CCCC1)N1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019761367 556904793 /nfs/dbraw/zinc/90/47/93/556904793.db2.gz CNQWLCCBMHGVLU-INIZCTEOSA-N 1 0 435.553 3.355 40 0 IGABRO C[C@@H](Cc1ccccc1F)[N@@H+]1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334502 556907067 /nfs/dbraw/zinc/90/70/67/556907067.db2.gz KDOCXHMOBZQGDQ-WOILTVAASA-N 1 0 437.559 3.328 40 0 IGABRO COCCOc1cccc(C[N@@H+]2CCC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 ZINC000019762983 556907665 /nfs/dbraw/zinc/90/76/65/556907665.db2.gz ZLBPDHWJZWRMLD-NRFANRHFSA-N 1 0 438.572 3.426 40 0 IGABRO C=C1[NH+]=C(SCC(=O)Nc2nnc(CC)s2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408986671 556909660 /nfs/dbraw/zinc/90/96/60/556909660.db2.gz CUAKXYXEYQTESX-QGZVFWFLSA-N 1 0 445.570 3.310 40 0 IGABRO CCc1cc(N2CCOCC2)nc(C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)n1 ZINC000072337258 556910226 /nfs/dbraw/zinc/91/02/26/556910226.db2.gz IJAQSUSTEWAIGL-UHFFFAOYSA-N 1 0 426.561 3.272 40 0 IGABRO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCN(c4nccc(C)n4)C3)CC2)cc1 ZINC000072347699 556918973 /nfs/dbraw/zinc/91/89/73/556918973.db2.gz SSPPWMOTHWSVFP-QFIPXVFZSA-N 1 0 437.588 3.038 40 0 IGABRO Nc1ncnc2nc([C@@H]3CCCN(C(=O)[C@H]([NH3+])c4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000072354391 556929937 /nfs/dbraw/zinc/92/99/37/556929937.db2.gz DWNDYARYBDXDPS-CXAGYDPISA-N 1 0 430.434 3.032 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409056290 556934183 /nfs/dbraw/zinc/93/41/83/556934183.db2.gz CGCCXPJXJJDXEY-WSBKAMHLSA-O 1 0 432.475 3.159 40 0 IGABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 ZINC000409057266 556934562 /nfs/dbraw/zinc/93/45/62/556934562.db2.gz KBZGDKLZWJPFLR-DNQXCXABSA-O 1 0 427.528 3.077 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409058470 556935388 /nfs/dbraw/zinc/93/53/88/556935388.db2.gz XWXCLPAOMKEXJE-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 ZINC000409058370 556935450 /nfs/dbraw/zinc/93/54/50/556935450.db2.gz MVKYVAZTAXCLOY-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000409058790 556935916 /nfs/dbraw/zinc/93/59/16/556935916.db2.gz LGDIEOOEKXLVBN-UGYRXPJGSA-O 1 0 449.328 3.465 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 ZINC000409059392 556936445 /nfs/dbraw/zinc/93/64/45/556936445.db2.gz MUJPOVQRMSADIL-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409054755 556938288 /nfs/dbraw/zinc/93/82/88/556938288.db2.gz NPNQVWFIMJNFOP-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000409069381 556942359 /nfs/dbraw/zinc/94/23/59/556942359.db2.gz MSCPDNTUEVFSOX-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO COc1cccc(CC(=O)N2CCC[C@@H]2c2ccc3c(NC4CC[NH+](C)CC4)n[nH]c3n2)c1 ZINC000072374518 556948049 /nfs/dbraw/zinc/94/80/49/556948049.db2.gz UEMYQKROLPTEKU-JOCHJYFZSA-N 1 0 448.571 3.379 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 ZINC000019932562 556949412 /nfs/dbraw/zinc/94/94/12/556949412.db2.gz QWPPFYDIHGWGDC-HSZRJFAPSA-N 1 0 449.661 3.308 40 0 IGABRO CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3ccncc3)CC2)C1 ZINC000072380050 556957283 /nfs/dbraw/zinc/95/72/83/556957283.db2.gz FEKVVQSYRJBOAW-QHCPKHFHSA-N 1 0 434.584 3.118 40 0 IGABRO Cc1nc(C)c(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)s1 ZINC000072394961 556966432 /nfs/dbraw/zinc/96/64/32/556966432.db2.gz SPENMEPGCDCQOD-SFTDATJTSA-N 1 0 442.629 3.118 40 0 IGABRO CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000257295010 556999924 /nfs/dbraw/zinc/99/99/24/556999924.db2.gz QWPHMSAXUAZNNC-YLJYHZDGSA-N 1 0 436.560 3.090 40 0 IGABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000585103421 557037116 /nfs/dbraw/zinc/03/71/16/557037116.db2.gz GKNSBYWXHUGOPM-NRFANRHFSA-N 1 0 429.586 3.082 40 0 IGABRO CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106222 557039655 /nfs/dbraw/zinc/03/96/55/557039655.db2.gz XOTRNKIJKPNXSZ-UHOSZYNNSA-N 1 0 439.556 3.140 40 0 IGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024652141 557157300 /nfs/dbraw/zinc/15/73/00/557157300.db2.gz WPVMYDLBXUVTMS-FQEVSTJZSA-N 1 0 447.626 3.061 40 0 IGABRO CCN1CC[C@@]2(CN(c3ncccn3)CC23CC[NH+](Cc2ccc(C)s2)CC3)C1=O ZINC000096036441 557163462 /nfs/dbraw/zinc/16/34/62/557163462.db2.gz AZKKZMOOBXSSRD-HSZRJFAPSA-N 1 0 425.602 3.188 40 0 IGABRO COCCN(C)c1nc(C2CC[NH+](Cc3cnn(C)c3)CC2)cc2c1ncn2C(C)C ZINC000096100027 557169397 /nfs/dbraw/zinc/16/93/97/557169397.db2.gz SPEYAPXIIQPZGF-UHFFFAOYSA-N 1 0 425.581 3.208 40 0 IGABRO O=S1(=O)c2ccccc2OCC2(CC[NH+](Cc3cccnc3)CC2)CN1CC1CC1 ZINC000096145197 557174460 /nfs/dbraw/zinc/17/44/60/557174460.db2.gz BCIRSCFXLAPDBE-UHFFFAOYSA-N 1 0 427.570 3.157 40 0 IGABRO COCCN1CC2(CC[NH+](Cc3ccc(C)cc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263521 557191055 /nfs/dbraw/zinc/19/10/55/557191055.db2.gz ARKYGOZBHDXJKF-UHFFFAOYSA-N 1 0 444.597 3.307 40 0 IGABRO Cc1cccc(C2(C(=O)N3CC[C@@](O)(C[N@H+](C)Cc4ccc(F)cc4)C3)CCOCC2)c1 ZINC000585261869 557197403 /nfs/dbraw/zinc/19/74/03/557197403.db2.gz CTRKTSKJTRODFG-RUZDIDTESA-N 1 0 440.559 3.278 40 0 IGABRO O[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000585269624 557213372 /nfs/dbraw/zinc/21/33/72/557213372.db2.gz CUJRHLNHQHHMQB-SVBPBHIXSA-N 1 0 444.579 3.028 40 0 IGABRO CN(c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010450142 557221908 /nfs/dbraw/zinc/22/19/08/557221908.db2.gz XUQNOFSEVVRFEX-UHFFFAOYSA-N 1 0 435.977 3.381 40 0 IGABRO Cc1ccc(N(Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1C ZINC000010450110 557221931 /nfs/dbraw/zinc/22/19/31/557221931.db2.gz PFJALJYCYJUCGY-UHFFFAOYSA-N 1 0 443.613 3.485 40 0 IGABRO CC(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(OC(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382117 557236830 /nfs/dbraw/zinc/23/68/30/557236830.db2.gz FJHNAXSEXKQXDU-UAFMIMERSA-N 1 0 439.478 3.189 40 0 biogenic,in-vitro IGABRO CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773646 557265743 /nfs/dbraw/zinc/26/57/43/557265743.db2.gz MBLBQAFIDLVYMS-GOTSBHOMSA-N 1 0 437.584 3.111 40 0 IGABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Br)c1OCC(N)=O ZINC000016688331 557475472 /nfs/dbraw/zinc/47/54/72/557475472.db2.gz YDTYGFIAWHEANE-UHFFFAOYSA-N 1 0 425.298 3.183 40 0 IGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cc(C)ccc4OC)C[C@@H]32)c(OCC)n1 ZINC000019531681 557500316 /nfs/dbraw/zinc/50/03/16/557500316.db2.gz SXPYBZZQDYHDFU-GERBCZOESA-N 1 0 427.545 3.321 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCC3CC[NH+](C)CC3)c2)cc1 ZINC000224264466 557582448 /nfs/dbraw/zinc/58/24/48/557582448.db2.gz WDSGGPOXACWZRY-UHFFFAOYSA-N 1 0 429.586 3.282 40 0 IGABRO Cc1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1N1CCCC1=O ZINC000224620838 557631882 /nfs/dbraw/zinc/63/18/82/557631882.db2.gz HSJPWVSDXXMNDM-UHFFFAOYSA-N 1 0 427.570 3.196 40 0 IGABRO CS(=O)(=O)N(CCCC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000224779082 557650820 /nfs/dbraw/zinc/65/08/20/557650820.db2.gz PSLPMWMDTFDGEI-UHFFFAOYSA-N 1 0 447.576 3.284 40 0 IGABRO Cc1ccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000224791801 557651728 /nfs/dbraw/zinc/65/17/28/557651728.db2.gz WJYPWJHHDRVTPO-UHFFFAOYSA-N 1 0 443.613 3.453 40 0 IGABRO Cc1cccc(C)c1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O ZINC000224815470 557654785 /nfs/dbraw/zinc/65/47/85/557654785.db2.gz BTXYFIXSUCPGHB-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224823908 557655696 /nfs/dbraw/zinc/65/56/96/557655696.db2.gz BGGABUALCNODQF-UHFFFAOYSA-N 1 0 429.586 3.388 40 0 IGABRO CC(C)[N@H+](Cc1ccccc1)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585285685 568618823 /nfs/dbraw/zinc/61/88/23/568618823.db2.gz SDGMKEDNLPEWEG-UPVQGACJSA-N 1 0 430.976 3.117 40 0 IGABRO CCn1cc(S(=O)(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C2)c(C)n1 ZINC000257210155 568669725 /nfs/dbraw/zinc/66/97/25/568669725.db2.gz BTKUVZFSHKBYRE-MRXNPFEDSA-N 1 0 444.536 3.371 40 0 IGABRO Cc1cc(C[C@H]2CCC[C@@H]3C[N@H+](CC(=O)Nc4ccc5c(c4)OCCCO5)C[C@@H]32)ncn1 ZINC000257230158 568679064 /nfs/dbraw/zinc/67/90/64/568679064.db2.gz GBBZMDJXHSROHD-WOIUINJBSA-N 1 0 436.556 3.476 40 0 IGABRO CCN(C(=O)CN1CC[C@@]2(CCC[N@@H+]2CCc2ccccc2)[C@@H](O)C1)c1cccc(C)c1 ZINC000257262582 568694483 /nfs/dbraw/zinc/69/44/83/568694483.db2.gz LLZRAQMLOCWXBN-BDYUSTAISA-N 1 0 435.612 3.492 40 0 IGABRO COc1cccc(CC(=O)N2CCO[C@H](c3cc(Nc4nnc(C)s4)cc(C)n3)C2)c1 ZINC000257268186 568696711 /nfs/dbraw/zinc/69/67/11/568696711.db2.gz MKPXSMGQGIQEJP-FQEVSTJZSA-N 1 0 439.541 3.445 40 0 IGABRO CNc1nc([C@@H]2CC[N@H+](Cc3c(C)cc(OC)c(C)c3C)C2)nc2c1CN(C(C)=O)CC2 ZINC000257273689 568699210 /nfs/dbraw/zinc/69/92/10/568699210.db2.gz NHSOOAZGRCRZBR-LJQANCHMSA-N 1 0 437.588 3.346 40 0 IGABRO CC[NH+](CC)CCNC(=O)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306124288 568763221 /nfs/dbraw/zinc/76/32/21/568763221.db2.gz BLUSJBZIPXGGCP-OAQYLSRUSA-N 1 0 433.556 3.383 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccccc1F)C[C@H]2c1cccnc1 ZINC000306129698 568765886 /nfs/dbraw/zinc/76/58/86/568765886.db2.gz IKJLMXRKKDDTFB-DHLKQENFSA-N 1 0 432.499 3.013 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccncc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132450 568767209 /nfs/dbraw/zinc/76/72/09/568767209.db2.gz LJDABMSMVDASKM-RDGATRHJSA-N 1 0 430.556 3.272 40 0 IGABRO Cc1ccc(CNC(=O)[C@H]2CCc3nnc(C4CC[NH+](Cc5cccnc5)CC4)n3C2)cc1 ZINC000306133420 568767864 /nfs/dbraw/zinc/76/78/64/568767864.db2.gz MKROQYIJBCEBKN-QHCPKHFHSA-N 1 0 444.583 3.240 40 0 IGABRO Cc1ccc(CNC(=O)c2cn3c(nc2=O)[C@]2(CC3)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000306135600 568769046 /nfs/dbraw/zinc/76/90/46/568769046.db2.gz OVMAHKXUAHNZMP-SANMLTNESA-N 1 0 428.536 3.029 40 0 IGABRO COc1ccc(CN2CCO[C@@]3(C[N@H+](Cc4ccco4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306136623 568769440 /nfs/dbraw/zinc/76/94/40/568769440.db2.gz PYSHDTWZUCEROF-ILBGXUMGSA-N 1 0 433.508 3.080 40 0 IGABRO Cc1ncsc1C[N@@H+]1CC[C@]2(c3ccccc3)CCc3nnc(C(=O)NC4CC4)n3C[C@@H]12 ZINC000306141007 568771906 /nfs/dbraw/zinc/77/19/06/568771906.db2.gz VIQMDTKLBFKSNL-YKSBVNFPSA-N 1 0 448.596 3.094 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccncc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143824 568773391 /nfs/dbraw/zinc/77/33/91/568773391.db2.gz YNQANIFDPKKRRV-DHLKQENFSA-N 1 0 430.556 3.272 40 0 IGABRO CCc1ccc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306143610 568773438 /nfs/dbraw/zinc/77/34/38/568773438.db2.gz YGUBNFUUUQXPQC-UXHICEINSA-N 1 0 431.540 3.406 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccn2)n1 ZINC000329068354 568811030 /nfs/dbraw/zinc/81/10/30/568811030.db2.gz YQDWCTMTWUNUJT-UHFFFAOYSA-N 1 0 445.340 3.391 40 0 IGABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000248169256 569207493 /nfs/dbraw/zinc/20/74/93/569207493.db2.gz QSCZLDJPSQOILF-OZXSUGGESA-N 1 0 438.568 3.257 40 0 IGABRO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1 ZINC000010277297 569222050 /nfs/dbraw/zinc/22/20/50/569222050.db2.gz VECXJZLZVIYNOH-UHFFFAOYSA-N 1 0 433.549 3.013 40 0 IGABRO O=C(C[C@H]1CCCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019014642 569226132 /nfs/dbraw/zinc/22/61/32/569226132.db2.gz BDBTVIJBCFUENB-WIYYLYMNSA-N 1 0 428.577 3.496 40 0 IGABRO CC(=O)N[C@H](C)c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000019458693 569226650 /nfs/dbraw/zinc/22/66/50/569226650.db2.gz BWLDJMQUHANBJD-ZGNKEGEESA-N 1 0 442.531 3.407 40 0 IGABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cccnc2N(C)C)C1 ZINC000019702449 569232058 /nfs/dbraw/zinc/23/20/58/569232058.db2.gz YTAPQWWMGVIVOJ-INIZCTEOSA-N 1 0 439.585 3.123 40 0 IGABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)c1cc3ccc(OC)cc3n1C)C2 ZINC000019708805 569234620 /nfs/dbraw/zinc/23/46/20/569234620.db2.gz OYPQXCLQEHXHOL-KRWDZBQOSA-N 1 0 448.571 3.026 40 0 IGABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2cccc(Br)c2)CC1 ZINC000108104671 569252308 /nfs/dbraw/zinc/25/23/08/569252308.db2.gz GOXABPSJDLQEAB-UHFFFAOYSA-N 1 0 433.375 3.328 40 0 IGABRO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000009332853 569295735 /nfs/dbraw/zinc/29/57/35/569295735.db2.gz ATPCUYQGOXKMIT-XNGFIGEISA-N 1 0 442.302 3.425 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218660951 569458988 /nfs/dbraw/zinc/45/89/88/569458988.db2.gz ZFRBBAVBSOTKFN-NNMXDRDESA-N 1 0 434.533 3.296 40 0 IGABRO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccccc4C)n3)ccn2)CC1 ZINC000049155011 291352563 /nfs/dbraw/zinc/35/25/63/291352563.db2.gz YZEGBVNTCGMZDW-QFIPXVFZSA-N 1 0 446.555 3.446 40 0 biogenic,in-vitro IGABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccccc3N3CC[NH+](C)CC3)cc12 ZINC000013992499 132355727 /nfs/dbraw/zinc/35/57/27/132355727.db2.gz VYFPHCQTEYMSOC-UHFFFAOYSA-N 1 0 428.540 3.386 40 0 IGABRO CC(C)[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)CC1 ZINC000072345803 519673120 /nfs/dbraw/zinc/67/31/20/519673120.db2.gz LAOOGHRXDHOGCD-JOCHJYFZSA-N 1 0 433.618 3.131 40 0 IGABRO CCC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCC[C@](O)(c4ccccc4OC)C3)ccc21 ZINC000036719466 521120207 /nfs/dbraw/zinc/12/02/07/521120207.db2.gz KIMUWKWTVCEMJL-JYFHCDHNSA-N 1 0 438.568 3.401 40 0 IGABRO CCC(C)(C)n1nnnc1[C@H](c1cccc(OC)c1OC)N1CC[NH+](C2CCCC2)CC1 ZINC000022928817 521372336 /nfs/dbraw/zinc/37/23/36/521372336.db2.gz NLUQVCNAVZMNIM-NRFANRHFSA-N 1 0 442.608 3.485 40 0 IGABRO COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](C(C)C)CC1 ZINC000012187105 524776206 /nfs/dbraw/zinc/77/62/06/524776206.db2.gz UKWZPXMRCGIEPN-KRWDZBQOSA-N 1 0 434.540 3.163 40 0 IGABRO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1)Nc1ccccc1 ZINC000020798994 526826564 /nfs/dbraw/zinc/82/65/64/526826564.db2.gz CHCPYYLXWLLQFV-FQEVSTJZSA-N 1 0 442.479 3.298 40 0 IGABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2cccc(OC(F)(F)F)c2)C(=O)N1)Nc1ccccc1 ZINC000022607360 526827095 /nfs/dbraw/zinc/82/70/95/526827095.db2.gz XPWMWWTWTVBWTR-CQSZACIVSA-N 1 0 434.378 3.245 40 0 IGABRO C[N@H+](CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000002568242 555787861 /nfs/dbraw/zinc/78/78/61/555787861.db2.gz BQBSHJUQVIWEFM-MRXNPFEDSA-N 1 0 447.384 3.279 40 0 in-vivo IGABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1cccc(Cl)c1Cl ZINC000010111186 556325680 /nfs/dbraw/zinc/32/56/80/556325680.db2.gz SLRRVNFWECPJQG-UHFFFAOYSA-N 1 0 436.405 3.142 40 0 IGABRO CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/CCN1CC[NH+](C)CC1)c1ccccc1S2 ZINC000029747244 556481254 /nfs/dbraw/zinc/48/12/54/556481254.db2.gz GFBKORZTTCHDGY-UFWORHAWSA-N 1 0 443.638 3.471 40 0 in-man IGABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013612406 556535007 /nfs/dbraw/zinc/53/50/07/556535007.db2.gz LLEXOFDSPQJKDP-UHFFFAOYSA-N 1 0 443.613 3.491 40 0 IGABRO CSc1ccc([C@@H]2NC3=NCN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1 ZINC000013638212 556541439 /nfs/dbraw/zinc/54/14/39/556541439.db2.gz SNBFKQMVOFLRSM-OAQYLSRUSA-N 1 0 435.601 3.253 40 0 IGABRO CCc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000044873730 556673730 /nfs/dbraw/zinc/67/37/30/556673730.db2.gz JCGQQMHOZCZZCE-UHFFFAOYSA-N 1 0 443.613 3.317 40 0 IGABRO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)on1 ZINC000019124125 556702581 /nfs/dbraw/zinc/70/25/81/556702581.db2.gz HNLLVVNCPKSPCI-IBGZPJMESA-N 1 0 436.560 3.439 40 0 IGABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OCCn2cccn2)cc1 ZINC000257245587 556710741 /nfs/dbraw/zinc/71/07/41/556710741.db2.gz IQFUZIGRUGSILI-NRFANRHFSA-N 1 0 425.529 3.233 40 0 IGABRO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@]3(O)CCN(c4ccccn4)C3)cc2)n1 ZINC000257265133 556713064 /nfs/dbraw/zinc/71/30/64/556713064.db2.gz LXKWMQQHMIVOTK-RUZDIDTESA-N 1 0 435.572 3.047 40 0 IGABRO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CCN2C)c1 ZINC000257266781 556713363 /nfs/dbraw/zinc/71/33/63/556713363.db2.gz MENAMWWKJAKDGR-DEOSSOPVSA-N 1 0 448.611 3.164 40 0 IGABRO Cc1c(C)n(C[C@H](O)C[N@@H+](C)Cc2ccc(OCCOCCO)cc2)c2ccccc12 ZINC000257270883 556713680 /nfs/dbraw/zinc/71/36/80/556713680.db2.gz MWAGNCMBUHBTEX-JOCHJYFZSA-N 1 0 426.557 3.139 40 0 IGABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000019343430 556741076 /nfs/dbraw/zinc/74/10/76/556741076.db2.gz IWTHTCQNIOMIFD-GOSISDBHSA-N 1 0 438.601 3.374 40 0 IGABRO O=c1oc(-c2cccs2)nn1CC1(O)CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000057773361 556748881 /nfs/dbraw/zinc/74/88/81/556748881.db2.gz LVSGZDBQDQTZGD-UHFFFAOYSA-N 1 0 437.468 3.193 40 0 IGABRO O=C(NCc1cccnc1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372478 556748971 /nfs/dbraw/zinc/74/89/71/556748971.db2.gz YERGSMOKTCEDOT-GOTSBHOMSA-N 1 0 442.567 3.004 40 0 IGABRO CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)c1C ZINC000019520950 556777682 /nfs/dbraw/zinc/77/76/82/556777682.db2.gz JLAILPBPYVVNRG-FQEVSTJZSA-N 1 0 438.576 3.444 40 0 IGABRO CCCn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)cn1 ZINC000019526086 556783743 /nfs/dbraw/zinc/78/37/43/556783743.db2.gz ZQJHMCNQWVEMTO-OAQYLSRUSA-N 1 0 438.576 3.457 40 0 IGABRO CCN(CC)c1ncc2c(cc(C3CC[NH+](CC(=O)N4CCCC[C@@H]4C)CC3)[nH]c2=O)n1 ZINC000019526551 556784926 /nfs/dbraw/zinc/78/49/26/556784926.db2.gz DAVBPRBEKJCOSH-KRWDZBQOSA-N 1 0 440.592 3.157 40 0 IGABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019551505 556795685 /nfs/dbraw/zinc/79/56/85/556795685.db2.gz MYIZKMXTBSDYKA-RPVQJOFSSA-N 1 0 425.455 3.495 40 0 IGABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1 ZINC000019551507 556795897 /nfs/dbraw/zinc/79/58/97/556795897.db2.gz MYIZKMXTBSDYKA-QANKJYHBSA-N 1 0 425.455 3.495 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)C[C@H]2O ZINC000019563057 556804132 /nfs/dbraw/zinc/80/41/32/556804132.db2.gz WDRBPAHSIAGERI-NHCUHLMSSA-N 1 0 441.524 3.241 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)c1 ZINC000019565183 556805847 /nfs/dbraw/zinc/80/58/47/556805847.db2.gz MWTBWQHPYRDJKI-QHCPKHFHSA-N 1 0 448.571 3.278 40 0 IGABRO Cc1cc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)c(C)s1 ZINC000019567957 556808196 /nfs/dbraw/zinc/80/81/96/556808196.db2.gz ZFOAKVVCMKYEEV-KRWDZBQOSA-N 1 0 426.586 3.123 40 0 IGABRO CC[NH+](CC)CCCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NCCOC ZINC000004162028 556820648 /nfs/dbraw/zinc/82/06/48/556820648.db2.gz AUQQXNCCZZTWEH-UHFFFAOYSA-N 1 0 432.634 3.200 40 0 IGABRO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2cccc(C)c2NC3=O)cc1 ZINC000064164319 556823206 /nfs/dbraw/zinc/82/32/06/556823206.db2.gz QMRDWBOJBXXNFN-BSWQBHCVSA-N 1 0 433.508 3.442 40 0 IGABRO C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019587785 556823940 /nfs/dbraw/zinc/82/39/40/556823940.db2.gz KIQVMJBAZSLZHP-XMSQKQJNSA-N 1 0 445.560 3.185 40 0 IGABRO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000006245261 556830981 /nfs/dbraw/zinc/83/09/81/556830981.db2.gz NMTJCFBRJSFVKO-UHFFFAOYSA-N 1 0 438.553 3.326 40 0 IGABRO CCN(CC)C(=O)C[NH+]1CCC([C@H]2CC=CCN(Cc3cccc(OC)c3)C2=O)CC1 ZINC000019698362 556856437 /nfs/dbraw/zinc/85/64/37/556856437.db2.gz DTICMMIRFPVNTN-HSZRJFAPSA-N 1 0 427.589 3.180 40 0 IGABRO COc1cccc2cc(C[N@H+](C)Cc3ccc([C@H]4CN(C(C)=O)C[C@@H]4C(N)=O)cc3)oc21 ZINC000019699268 556858604 /nfs/dbraw/zinc/85/86/04/556858604.db2.gz XOCGTSPMTCTDEP-YADHBBJMSA-N 1 0 435.524 3.121 40 0 IGABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(C(=O)CCCOc1cccc3cccnc31)C2 ZINC000019707494 556867519 /nfs/dbraw/zinc/86/75/19/556867519.db2.gz WEBCMDHTRGJYLI-IBGZPJMESA-N 1 0 446.555 3.235 40 0 IGABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CN(C(=O)C(C)(C)c1cccc(F)c1)CC2 ZINC000019710310 556872499 /nfs/dbraw/zinc/87/24/99/556872499.db2.gz FOYKCWVZBQBYAT-INIZCTEOSA-N 1 0 425.552 3.329 40 0 IGABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(NCc3ccccc3N3CCCC3)c2C1 ZINC000019711319 556875557 /nfs/dbraw/zinc/87/55/57/556875557.db2.gz OVSDXFLIZTVOCQ-OAQYLSRUSA-N 1 0 448.615 3.403 40 0 IGABRO Cc1nc([C@@H]2CCCCN2C(=O)CC[NH+]2CCCC2)nc2c1CC(=O)N2Cc1ccccc1 ZINC000019739763 556878875 /nfs/dbraw/zinc/87/88/75/556878875.db2.gz CLWCGBUHOXDIDI-QFIPXVFZSA-N 1 0 447.583 3.414 40 0 IGABRO Cc1nc([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019740632 556881227 /nfs/dbraw/zinc/88/12/27/556881227.db2.gz VNTQJSYWQOPLBY-NRFANRHFSA-N 1 0 439.604 3.404 40 0 IGABRO COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)ccc12 ZINC000019742881 556886740 /nfs/dbraw/zinc/88/67/40/556886740.db2.gz FTQGWAOUGWSCAL-LJQANCHMSA-N 1 0 448.571 3.380 40 0 IGABRO O=C(Cn1cc(C(=O)NC2CCCCC2)ccc1=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000019751676 556895673 /nfs/dbraw/zinc/89/56/73/556895673.db2.gz HQLSLULMILSZEL-UHFFFAOYSA-N 1 0 436.556 3.145 40 0 IGABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)nc2C)c1 ZINC000019753305 556897114 /nfs/dbraw/zinc/89/71/14/556897114.db2.gz JYQKCXIRCRZWAZ-OAQYLSRUSA-N 1 0 431.540 3.498 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409057695 556935013 /nfs/dbraw/zinc/93/50/13/556935013.db2.gz WASVGWJTFZHOCI-YCAYNYMGSA-O 1 0 444.511 3.110 40 0 IGABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409058290 556935340 /nfs/dbraw/zinc/93/53/40/556935340.db2.gz NMUOOYFXJFJXGY-LOSJGSFVSA-O 1 0 441.555 3.386 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000409058510 556935737 /nfs/dbraw/zinc/93/57/37/556935737.db2.gz YBULRNMFNFBCMW-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 ZINC000409059388 556936467 /nfs/dbraw/zinc/93/64/67/556936467.db2.gz MUJPOVQRMSADIL-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)C[NH+]4CCCCCC4)C3)[nH]n2)cc1 ZINC000072371431 556938641 /nfs/dbraw/zinc/93/86/41/556938641.db2.gz WLILGRVIFBYQOA-LJQANCHMSA-N 1 0 426.561 3.232 40 0 IGABRO COCc1nnc(NC(=O)C2(Cc3cccc([C@H]4CCC[N@H+](C)C4)c3)CCOCC2)s1 ZINC000072372217 556941932 /nfs/dbraw/zinc/94/19/32/556941932.db2.gz IZYWVNFQKRCJTB-IBGZPJMESA-N 1 0 444.601 3.472 40 0 IGABRO COc1ccc([C@H](CNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)[NH+](C)C)cc1 ZINC000072373218 556945845 /nfs/dbraw/zinc/94/58/45/556945845.db2.gz LLDWOLRITAGEEE-QHCPKHFHSA-N 1 0 444.539 3.267 40 0 IGABRO Cc1ccc(=O)n(CC(=O)N2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)n1 ZINC000072374972 556949630 /nfs/dbraw/zinc/94/96/30/556949630.db2.gz OGTVYEDIMNPVKX-IBGZPJMESA-N 1 0 432.528 3.108 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)c(OC)c1OC ZINC000072390063 556960234 /nfs/dbraw/zinc/96/02/34/556960234.db2.gz LZMWPMQXZBMLLW-MRXNPFEDSA-N 1 0 425.489 3.240 40 0 IGABRO COc1ccc2c(c1)c([C@H]1C[N@H+](Cc3ccc(OC)c(OC)c3)C[C@@H]1NC(C)=O)cn2C ZINC000072395551 556967367 /nfs/dbraw/zinc/96/73/67/556967367.db2.gz VSYTYYYUQBXJLG-YADHBBJMSA-N 1 0 437.540 3.308 40 0 IGABRO O=C1C[C@@]2(CN1Cc1ccccc1)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104811 557037884 /nfs/dbraw/zinc/03/78/84/557037884.db2.gz UKVZVOKHDROUBJ-XMMPIXPASA-N 1 0 434.565 3.456 40 0 IGABRO O=C(NCCCN1CC[NH+](CCCNC(=O)Nc2ccccc2)CC1)Nc1ccccc1 ZINC000023469432 557093260 /nfs/dbraw/zinc/09/32/60/557093260.db2.gz OCKWUABKWFSMQZ-UHFFFAOYSA-N 1 0 438.576 3.028 40 0 IGABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)CC1 ZINC000006288078 557150653 /nfs/dbraw/zinc/15/06/53/557150653.db2.gz UPPFZLPPVVFROU-UHFFFAOYSA-N 1 0 433.375 3.328 40 0 IGABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000021596019 557155964 /nfs/dbraw/zinc/15/59/64/557155964.db2.gz YZQARTLQNSEQBJ-UHFFFAOYSA-N 1 0 431.920 3.204 40 0 IGABRO CCN1C(=O)C2(CC13CCN(C(=O)CC(C)C)CC3)CC[NH+](Cc1cccnc1)CC2 ZINC000096143704 557170797 /nfs/dbraw/zinc/17/07/97/557170797.db2.gz LQTALJRDRNJMOZ-UHFFFAOYSA-N 1 0 426.605 3.323 40 0 IGABRO CN(C)C(=O)n1c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc2c1c1ccccc1n2C ZINC000096264176 557192129 /nfs/dbraw/zinc/19/21/29/557192129.db2.gz XPTCDLAVFSERBK-UHFFFAOYSA-N 1 0 430.512 3.020 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2cccc(C)c2)cc1 ZINC000010277448 557212695 /nfs/dbraw/zinc/21/26/95/557212695.db2.gz ZSLXCCLDLYDQDW-UHFFFAOYSA-N 1 0 443.613 3.491 40 0 IGABRO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@](O)(COc2ccc(C)cc2C)CC1 ZINC000585274088 557218416 /nfs/dbraw/zinc/21/84/16/557218416.db2.gz RAORFBYDNYGNBC-RUZDIDTESA-N 1 0 426.557 3.224 40 0 IGABRO OC1(COc2ccc(F)cc2)CC[NH+](CC2(O)CCN(c3ccc(F)cc3)CC2)CC1 ZINC000585281801 557220162 /nfs/dbraw/zinc/22/01/62/557220162.db2.gz AWZGKSOTTWCRQO-UHFFFAOYSA-N 1 0 432.511 3.202 40 0 IGABRO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Br ZINC000098071760 557232978 /nfs/dbraw/zinc/23/29/78/557232978.db2.gz VVRNLXBMRNFAAL-UHFFFAOYSA-N 1 0 440.363 3.010 40 0 IGABRO O=C(c1ccc(C(F)(F)F)cc1)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381866 557236506 /nfs/dbraw/zinc/23/65/06/557236506.db2.gz SAYWMEBMOMTVTL-OAQYLSRUSA-N 1 0 445.485 3.117 40 0 biogenic,in-vitro IGABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)CC1 ZINC000100238856 557254246 /nfs/dbraw/zinc/25/42/46/557254246.db2.gz RALVANCGTIJBAH-CMKODMSKSA-N 1 0 442.604 3.394 40 0 IGABRO CN1CC[N@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccc3)cn21 ZINC000107189339 557335913 /nfs/dbraw/zinc/33/59/13/557335913.db2.gz MMGFOGYHCSIJJG-QHCPKHFHSA-N 1 0 440.551 3.148 40 0 IGABRO Cc1cc(C)cc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000044871600 557352544 /nfs/dbraw/zinc/35/25/44/557352544.db2.gz DIFDHDLHGSEUPX-HXUWFJFHSA-N 1 0 443.613 3.370 40 0 IGABRO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033726326 557353887 /nfs/dbraw/zinc/35/38/87/557353887.db2.gz ZNIAEOAOTYSHDY-FVJVTNMWSA-N 1 0 435.911 3.388 40 0 IGABRO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019220837 557498154 /nfs/dbraw/zinc/49/81/54/557498154.db2.gz PDTZOUQQAWYXDX-OFNKIYASSA-N 1 0 447.587 3.198 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000019499602 557499637 /nfs/dbraw/zinc/49/96/37/557499637.db2.gz NMXBNCNXVPJUSG-OAQYLSRUSA-N 1 0 437.592 3.003 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019527977 557501872 /nfs/dbraw/zinc/50/18/72/557501872.db2.gz DJLNQQWRPAYSMC-JOCHJYFZSA-N 1 0 435.576 3.055 40 0 IGABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(S(=O)(=O)N3CCCC3)c(Cl)cc1Cl)C2 ZINC000002789865 557522119 /nfs/dbraw/zinc/52/21/19/557522119.db2.gz PDCDOEQNBTZGRB-AGUYFDCRSA-N 1 0 446.400 3.133 40 0 IGABRO Cc1cc(C)c(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c(C)c1 ZINC000224505194 557613941 /nfs/dbraw/zinc/61/39/41/557613941.db2.gz BYWCOWFQVMJEPJ-UHFFFAOYSA-N 1 0 443.613 3.290 40 0 IGABRO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC000224639863 557634779 /nfs/dbraw/zinc/63/47/79/557634779.db2.gz BYTADCGKGMZPJK-UHFFFAOYSA-N 1 0 439.581 3.060 40 0 IGABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000224688137 557640432 /nfs/dbraw/zinc/64/04/32/557640432.db2.gz ZCWWCWPIMJAETN-UHFFFAOYSA-N 1 0 441.597 3.387 40 0 IGABRO CC(C)c1ccccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O ZINC000224784326 557651034 /nfs/dbraw/zinc/65/10/34/557651034.db2.gz LIGRJDYQSQZHLW-UHFFFAOYSA-N 1 0 443.613 3.488 40 0 IGABRO CN(c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(Cl)c1)S(C)(=O)=O ZINC000224799199 557652421 /nfs/dbraw/zinc/65/24/21/557652421.db2.gz BHYYESDUMAHOTD-UHFFFAOYSA-N 1 0 435.977 3.262 40 0 IGABRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224824094 557655911 /nfs/dbraw/zinc/65/59/11/557655911.db2.gz SXEUOFJMBHNNHP-GOSISDBHSA-N 1 0 447.576 3.283 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000225525393 557735949 /nfs/dbraw/zinc/73/59/49/557735949.db2.gz XJNRDXLYTJZKJF-NHCUHLMSSA-N 1 0 435.634 3.167 40 0 IGABRO CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1NC(C)=O ZINC000225789882 557778085 /nfs/dbraw/zinc/77/80/85/557778085.db2.gz KKXKXUZZMZDDEP-UHFFFAOYSA-N 1 0 433.599 3.094 40 0 IGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288152 568619297 /nfs/dbraw/zinc/61/92/97/568619297.db2.gz XZSHVCMCIOEAAG-JIOQYBSPSA-N 1 0 427.532 3.109 40 0 IGABRO Cc1ccc(C)c(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000260890861 568627494 /nfs/dbraw/zinc/62/74/94/568627494.db2.gz UELMFQOCISGCSH-HXUWFJFHSA-N 1 0 443.613 3.370 40 0 IGABRO Cc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1C ZINC000260892318 568627539 /nfs/dbraw/zinc/62/75/39/568627539.db2.gz XZNXYMQDOPOONP-HXUWFJFHSA-N 1 0 443.613 3.370 40 0 IGABRO COCC[N@@H+]1CC[C@H](CNC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257203160 568666801 /nfs/dbraw/zinc/66/68/01/568666801.db2.gz AOXGKFGFGRZRLI-JOCHJYFZSA-N 1 0 437.584 3.172 40 0 IGABRO C[C@H]1C[NH+](CCC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)C[C@H](C)O1 ZINC000257225014 568676364 /nfs/dbraw/zinc/67/63/64/568676364.db2.gz FELWNLZRERFHBI-OALUTQOASA-N 1 0 433.556 3.265 40 0 IGABRO C[NH+](C)CCOc1cccc(C(=O)N2CCC[C@@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 ZINC000257229701 568678652 /nfs/dbraw/zinc/67/86/52/568678652.db2.gz FZEOHEUPAYQXJQ-OAQYLSRUSA-N 1 0 437.519 3.452 40 0 IGABRO Cc1nccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257266458 568695848 /nfs/dbraw/zinc/69/58/48/568695848.db2.gz MDDNQFZMQDETFF-NRFANRHFSA-N 1 0 443.935 3.180 40 0 IGABRO COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@H]([NH3+])CCSC)CC[C@@H]3O[C@H]21 ZINC000257266192 568695948 /nfs/dbraw/zinc/69/59/48/568695948.db2.gz MBYHPZOZRDKDSX-LZRWSTQFSA-N 1 0 434.602 3.241 40 0 IGABRO CN(CC(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1)Cc1ccccc1F ZINC000257277933 568700923 /nfs/dbraw/zinc/70/09/23/568700923.db2.gz OABSIIIRFSTHTQ-NRFANRHFSA-N 1 0 435.503 3.391 40 0 IGABRO CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CCN(C(=O)Cc1c(C)[nH]c3ccc(F)cc31)C2 ZINC000257341004 568728971 /nfs/dbraw/zinc/72/89/71/568728971.db2.gz ZILAGUKPFGLHHH-RCXJIHSJSA-N 1 0 448.542 3.226 40 0 IGABRO Cc1ncsc1C[N@@H+]1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306123332 568762469 /nfs/dbraw/zinc/76/24/69/568762469.db2.gz AKLRLEFIBGKIBZ-KNQAVFIVSA-N 1 0 440.594 3.305 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccncc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132449 568767195 /nfs/dbraw/zinc/76/71/95/568767195.db2.gz LJDABMSMVDASKM-RCZVLFRGSA-N 1 0 430.556 3.272 40 0 IGABRO CCc1ccc(C[NH+]2CCC3(CC2)CN(C(=O)OC)Cc2nnc(-c4cccnc4)n23)cc1 ZINC000306138684 568770724 /nfs/dbraw/zinc/77/07/24/568770724.db2.gz SEGRQTGOYDORBM-UHFFFAOYSA-N 1 0 446.555 3.476 40 0 IGABRO Cc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)s1 ZINC000306140730 568771658 /nfs/dbraw/zinc/77/16/58/568771658.db2.gz VCJXPADGJDBDSR-ISKFKSNPSA-N 1 0 434.565 3.244 40 0 IGABRO O=C(NC1CCC1)c1nnc2n1C[C@H]1[N@@H+](Cc3ccoc3)CC[C@]1(c1ccccc1)CC2 ZINC000306141267 568771968 /nfs/dbraw/zinc/77/19/68/568771968.db2.gz VQIJEBGMADOFOU-BWKNWUBXSA-N 1 0 431.540 3.312 40 0 IGABRO CCc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306143609 568773336 /nfs/dbraw/zinc/77/33/36/568773336.db2.gz YGUBNFUUUQXPQC-PMACEKPBSA-N 1 0 431.540 3.406 40 0 IGABRO COc1ccc(COC[C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000027530889 568781726 /nfs/dbraw/zinc/78/17/26/568781726.db2.gz ICIDGPFGFKGESK-NRFANRHFSA-N 1 0 434.964 3.053 40 0 IGABRO Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000103526324 568897298 /nfs/dbraw/zinc/89/72/98/568897298.db2.gz DTKIXLBQVYIXOU-ZVVFGRKBSA-N 1 0 435.911 3.388 40 0 IGABRO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)COC)c3ccccn3)C2)cc1OC ZINC000227305892 569183177 /nfs/dbraw/zinc/18/31/77/569183177.db2.gz JQVPKKZQZHOCJW-YADARESESA-N 1 0 427.545 3.205 40 0 IGABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000248332786 569207647 /nfs/dbraw/zinc/20/76/47/569207647.db2.gz JHHADXBOPIGYET-VNZMSGEBSA-N 1 0 437.540 3.367 40 0 IGABRO C[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000006577533 569213415 /nfs/dbraw/zinc/21/34/15/569213415.db2.gz ZKLSTLYBTHUDFT-MNWGUIFGSA-N 1 0 437.499 3.226 40 0 IGABRO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000010111279 569221184 /nfs/dbraw/zinc/22/11/84/569221184.db2.gz MLUFVPAFTACQJV-KRWDZBQOSA-N 1 0 430.014 3.185 40 0 IGABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000019125559 569226185 /nfs/dbraw/zinc/22/61/85/569226185.db2.gz JHHADXBOPIGYET-NSXLHWASSA-N 1 0 437.540 3.367 40 0 IGABRO CNc1nc([C@@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)c1cc3ccc(OC)cc3n1C)C2 ZINC000019708804 569234578 /nfs/dbraw/zinc/23/45/78/569234578.db2.gz OYPQXCLQEHXHOL-QGZVFWFLSA-N 1 0 448.571 3.026 40 0 IGABRO COc1ccccc1NC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000004260383 291359499 /nfs/dbraw/zinc/35/94/99/291359499.db2.gz BLLLXNQNEWVDSJ-DLBZAZTESA-N 1 0 438.528 3.099 40 0 biogenic,in-vitro IGABRO O=C(Nc1cccc(F)c1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1 ZINC000004260388 291362613 /nfs/dbraw/zinc/36/26/13/291362613.db2.gz JOCNVLYFFYDMPW-JKSUJKDBSA-N 1 0 426.492 3.230 40 0 biogenic,in-vitro IGABRO O=C(Nc1nccs1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297746 291363039 /nfs/dbraw/zinc/36/30/39/291363039.db2.gz FNHJUFTULTXEML-SUMDDJOVSA-N 1 0 440.598 3.376 40 0 biogenic,in-vitro IGABRO COc1cccc(CNC(=O)c2ccc(C3CC[NH+](Cc4ccccn4)CC3)nc2N)c1 ZINC000072348362 526003813 /nfs/dbraw/zinc/00/38/13/526003813.db2.gz JDCKHWXUGLRXFQ-UHFFFAOYSA-N 1 0 431.540 3.377 40 0 IGABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021939648 526656525 /nfs/dbraw/zinc/65/65/25/526656525.db2.gz XISXUVUTXRKCIY-FQEVSTJZSA-N 1 0 447.626 3.061 40 0 IGABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000013647518 556544521 /nfs/dbraw/zinc/54/45/21/556544521.db2.gz UXKKKSZEDXRLBV-UHFFFAOYSA-N 1 0 427.998 3.120 40 0 IGABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013668551 556549004 /nfs/dbraw/zinc/54/90/04/556549004.db2.gz OULYGQXAWGVRHD-UHFFFAOYSA-N 1 0 447.576 3.322 40 0 IGABRO O=C(NCCC[NH+]1CCCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000013668702 556549117 /nfs/dbraw/zinc/54/91/17/556549117.db2.gz HXJRBOINOUTTAA-UHFFFAOYSA-N 1 0 427.998 3.120 40 0 IGABRO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000013669060 556549846 /nfs/dbraw/zinc/54/98/46/556549846.db2.gz BBPKVACWZYJNGX-QGZVFWFLSA-N 1 0 430.014 3.041 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013676514 556554525 /nfs/dbraw/zinc/55/45/25/556554525.db2.gz BQNXMSAYNFKHPR-UHFFFAOYSA-N 1 0 429.586 3.426 40 0 IGABRO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000044872576 556673382 /nfs/dbraw/zinc/67/33/82/556673382.db2.gz DSPFEEVMFBFJEA-QHCPKHFHSA-N 1 0 443.613 3.452 40 0 IGABRO Cc1cc(C)cc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000044873720 556673714 /nfs/dbraw/zinc/67/37/14/556673714.db2.gz MLTTUDWNHXBVRG-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000019086153 556699764 /nfs/dbraw/zinc/69/97/64/556699764.db2.gz RVNGJTCQNWXKQS-FPOVZHCZSA-N 1 0 443.617 3.100 40 0 IGABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCn3nc(C)cc3C)cc2)cc1 ZINC000257229009 556708905 /nfs/dbraw/zinc/70/89/05/556708905.db2.gz FWFIBGLJCUGTJT-QFIPXVFZSA-N 1 0 439.556 3.459 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)ccc1OCCn1ccnc1 ZINC000257265343 556713017 /nfs/dbraw/zinc/71/30/17/556713017.db2.gz LYHMXRDDUUWUAQ-RUZDIDTESA-N 1 0 437.540 3.377 40 0 IGABRO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@]3(C2)C[N@H+](C)Cc2cc(C)ccc2O3)cc1 ZINC000019219497 556713991 /nfs/dbraw/zinc/71/39/91/556713991.db2.gz BSZZJIIIUQHRHU-HSZRJFAPSA-N 1 0 443.569 3.001 40 0 IGABRO Cc1cccnc1C[N@@H+]1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019237795 556722725 /nfs/dbraw/zinc/72/27/25/556722725.db2.gz PXQMFZACBFQDAA-QGZVFWFLSA-N 1 0 449.580 3.113 40 0 IGABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(I)cc1 ZINC000000889943 556739282 /nfs/dbraw/zinc/73/92/82/556739282.db2.gz CWJJQRZODLYTDQ-HNNXBMFYSA-N 1 0 437.301 3.073 40 0 IGABRO NC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019348351 556743780 /nfs/dbraw/zinc/74/37/80/556743780.db2.gz NAJIVXFAESGXLP-AREMUKBSSA-N 1 0 444.535 3.225 40 0 IGABRO C[C@@H](CN(C)C(=O)C[NH+]1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)c1ccccc1 ZINC000019455882 556765522 /nfs/dbraw/zinc/76/55/22/556765522.db2.gz CQCSJSWEGULEEJ-FQEVSTJZSA-N 1 0 436.600 3.411 40 0 IGABRO C[C@H](C[N@H+](C)CC(=O)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)c1ccccc1 ZINC000019455959 556765572 /nfs/dbraw/zinc/76/55/72/556765572.db2.gz KKWBIZCCGZAEDI-HXUWFJFHSA-N 1 0 436.600 3.411 40 0 IGABRO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000019496336 556769081 /nfs/dbraw/zinc/76/90/81/556769081.db2.gz SXQYMWQNDVQMBK-IBGZPJMESA-N 1 0 449.599 3.189 40 0 IGABRO CC[C@H](C)[NH+]1CCN(Cc2c3cccn(CC(=O)N(C)C)c-3nc2C(F)(F)F)CC1 ZINC000019499921 556771785 /nfs/dbraw/zinc/77/17/85/556771785.db2.gz IQIIRFMUWHPYNJ-HNNXBMFYSA-N 1 0 425.499 3.011 40 0 IGABRO CC[C@H](C)NC(=O)CN1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2ccccc2C1=O ZINC000019499962 556771816 /nfs/dbraw/zinc/77/18/16/556771816.db2.gz AWXIDRYCALLDOE-FQEVSTJZSA-N 1 0 435.568 3.471 40 0 IGABRO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 ZINC000019501583 556773069 /nfs/dbraw/zinc/77/30/69/556773069.db2.gz ZWMMPHZPOCLCEG-INIZCTEOSA-N 1 0 430.499 3.113 40 0 IGABRO CCCc1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1 ZINC000019525743 556783547 /nfs/dbraw/zinc/78/35/47/556783547.db2.gz MGBAIOHIBLFTJH-RDPSFJRHSA-N 1 0 438.572 3.459 40 0 IGABRO CCOc1ncc(C2(O)CC[NH+](Cc3cn(C)c4cc(OC)ccc34)CC2)c(OCC)n1 ZINC000019531757 556792363 /nfs/dbraw/zinc/79/23/63/556792363.db2.gz JZAAYJOUKDEYCG-UHFFFAOYSA-N 1 0 440.544 3.258 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCN(C(=O)[C@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555549 556798782 /nfs/dbraw/zinc/79/87/82/556798782.db2.gz WUTHUAUABDRREL-VQTJNVASSA-N 1 0 448.567 3.421 40 0 IGABRO COc1ccccc1C[N@@H+]1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019570369 556810460 /nfs/dbraw/zinc/81/04/60/556810460.db2.gz CMUNYIFQEUOXCX-QFIPXVFZSA-N 1 0 448.571 3.278 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NC[C@H]1CCCO1 ZINC000004133701 556819577 /nfs/dbraw/zinc/81/95/77/556819577.db2.gz PXYNSERMPQTWLN-HXUWFJFHSA-N 1 0 430.618 3.034 40 0 IGABRO COc1ccc(CN2CCc3nc(-c4ccncc4)nc(NCCC[NH+](C)C)c3C2)cc1 ZINC000019582381 556820139 /nfs/dbraw/zinc/82/01/39/556820139.db2.gz LMDNVCDKWMRRSN-UHFFFAOYSA-N 1 0 432.572 3.469 40 0 IGABRO COc1ccc(CN2CCc3c(nc(-c4ccccn4)nc3NCCC[NH+](C)C)C2)cc1 ZINC000019582377 556820224 /nfs/dbraw/zinc/82/02/24/556820224.db2.gz AKOVHNIMCOMDDG-UHFFFAOYSA-N 1 0 432.572 3.469 40 0 IGABRO NC(=O)c1ccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000408843240 556869513 /nfs/dbraw/zinc/86/95/13/556869513.db2.gz SEGJLIRKWRALBU-UHFFFAOYSA-N 1 0 428.536 3.356 40 0 IGABRO CNc1nc([C@H]2CCCCN2C(=O)CC2=CC(C)(C)[NH2+]C(C)(C)C2)nc2c1CCN(C)C2 ZINC000019708665 556869871 /nfs/dbraw/zinc/86/98/71/556869871.db2.gz XYAVJFAXURNMEW-HXUWFJFHSA-N 1 0 440.636 3.427 40 0 IGABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)c2cc(-c3ccccc3F)no2)n1 ZINC000019710006 556871858 /nfs/dbraw/zinc/87/18/58/556871858.db2.gz IFRAVKSJYPAWEM-HNNXBMFYSA-N 1 0 438.507 3.076 40 0 IGABRO Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(C[NH+](C)C)cc(N(C)C)n2)cc1N1CCCC1 ZINC000019760702 556903965 /nfs/dbraw/zinc/90/39/65/556903965.db2.gz GWKZWUZHKIYFMY-OAQYLSRUSA-N 1 0 436.604 3.490 40 0 IGABRO CCn1nc(C)c(C[N@@H+]2CC[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)c1C ZINC000019761744 556905246 /nfs/dbraw/zinc/90/52/46/556905246.db2.gz CSRWQKQVBIDLRZ-IBGZPJMESA-N 1 0 435.572 3.122 40 0 IGABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@H+](Cc4cccnc4)C3)nc2C)c1 ZINC000019766268 556911263 /nfs/dbraw/zinc/91/12/63/556911263.db2.gz YTFVMYXVRHKVQE-NRFANRHFSA-N 1 0 431.540 3.498 40 0 IGABRO Cc1ccc([C@@H](O)C[N@H+]2CC=C(c3nc4c(c(N5CCOCC5)n3)CCCC4)CC2)cc1 ZINC000072339513 556911794 /nfs/dbraw/zinc/91/17/94/556911794.db2.gz IARWLSTXCFSPNO-DEOSSOPVSA-N 1 0 434.584 3.323 40 0 IGABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409058288 556935203 /nfs/dbraw/zinc/93/52/03/556935203.db2.gz NMUOOYFXJFJXGY-JWQCQUIFSA-O 1 0 441.555 3.386 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409058894 556935855 /nfs/dbraw/zinc/93/58/55/556935855.db2.gz ZGCNVJFCOSHJGF-VNGKGULCSA-O 1 0 432.475 3.159 40 0 IGABRO O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000409058784 556935903 /nfs/dbraw/zinc/93/59/03/556935903.db2.gz LGDIEOOEKXLVBN-LADMSCKDSA-O 1 0 449.328 3.465 40 0 IGABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)c1 ZINC000409060590 556937506 /nfs/dbraw/zinc/93/75/06/556937506.db2.gz VAUVGCYZWPQCJF-BJKOFHAPSA-O 1 0 427.528 3.077 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)c1 ZINC000409060611 556937532 /nfs/dbraw/zinc/93/75/32/556937532.db2.gz VHVVXNQZGXJIHG-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)cc1 ZINC000409055239 556938464 /nfs/dbraw/zinc/93/84/64/556938464.db2.gz DKOSLIZVWRQKIE-RPWUZVMVSA-O 1 0 427.528 3.077 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409055673 556938801 /nfs/dbraw/zinc/93/88/01/556938801.db2.gz CZHZASLUVXQGAB-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 ZINC000409062014 556939641 /nfs/dbraw/zinc/93/96/41/556939641.db2.gz LVBAIXSSSOICPS-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409062458 556940080 /nfs/dbraw/zinc/94/00/80/556940080.db2.gz VERUHBBJJCWTNT-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccccc1[C@@H](CNc1cc(-c2ccnc(N3CCOCC3)c2)nc(C)n1)[NH+](C)C ZINC000072373365 556946577 /nfs/dbraw/zinc/94/65/77/556946577.db2.gz WYPRYJLDEHJOQT-JOCHJYFZSA-N 1 0 448.571 3.407 40 0 IGABRO COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)ccc12 ZINC000072374476 556948062 /nfs/dbraw/zinc/94/80/62/556948062.db2.gz TWJHCAFHRLTUDW-IBGZPJMESA-N 1 0 448.571 3.380 40 0 IGABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)c3c(C)cc(C)n(C)c3=O)C2)[nH+]1 ZINC000072374990 556949715 /nfs/dbraw/zinc/94/97/15/556949715.db2.gz BQVNJHRTKBJBCP-GOSISDBHSA-N 1 0 432.528 3.259 40 0 IGABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000072394866 556966240 /nfs/dbraw/zinc/96/62/40/556966240.db2.gz QJGDJMGWLHRFTJ-DNQXCXABSA-N 1 0 449.595 3.256 40 0 IGABRO COc1ncc(C[N@@H+]2C[C@@H](C(=O)N3CCCC(F)(F)CC3)C3(C2)CCOCC3)cc1C ZINC000585101992 557035518 /nfs/dbraw/zinc/03/55/18/557035518.db2.gz SOJYSVPNEWVRGV-IBGZPJMESA-N 1 0 437.531 3.275 40 0 IGABRO O=C(Cc1ccccc1)NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@H+]12 ZINC000585110073 557042460 /nfs/dbraw/zinc/04/24/60/557042460.db2.gz DYUWSEUNCOJLGU-ZEQRLZLVSA-N 1 0 440.547 3.434 40 0 IGABRO COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000022928705 557048973 /nfs/dbraw/zinc/04/89/73/557048973.db2.gz RJBAYTJUCUDDJQ-JOCHJYFZSA-N 1 0 442.608 3.485 40 0 IGABRO COc1ccc(CNC(=O)COc2cc3ccccc3cc2C(=O)NCCC[NH+](C)C)cc1 ZINC000021085582 557133461 /nfs/dbraw/zinc/13/34/61/557133461.db2.gz OKGTWYFSHBQPTC-UHFFFAOYSA-N 1 0 449.551 3.225 40 0 IGABRO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096036916 557164173 /nfs/dbraw/zinc/16/41/73/557164173.db2.gz GADFRMHQUQWGIC-UHFFFAOYSA-N 1 0 442.610 3.378 40 0 IGABRO CC(C)CN1CC2(CC[NH+](Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O ZINC000096037158 557164185 /nfs/dbraw/zinc/16/41/85/557164185.db2.gz CHIDCYIDLJLMHM-UHFFFAOYSA-N 1 0 429.586 3.403 40 0 IGABRO Cc1cc(C)cc(C(=O)N2CCC3(C[N@@H+](Cc4cccnc4)C[C@]34CCN(C)C4=O)CC2)c1 ZINC000096144284 557172025 /nfs/dbraw/zinc/17/20/25/557172025.db2.gz MAYROLICKPHTLN-MHZLTWQESA-N 1 0 446.595 3.285 40 0 IGABRO O=C(NCCc1cccs1)c1ccc2nnc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2c1 ZINC000096156188 557180918 /nfs/dbraw/zinc/18/09/18/557180918.db2.gz BBFQEKKYAHDENR-GOSISDBHSA-N 1 0 432.553 3.148 40 0 IGABRO C[N@@H+](Cc1ccc(OCCCO)cc1)C[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000585269793 557213865 /nfs/dbraw/zinc/21/38/65/557213865.db2.gz JOCOOAFAYWYGKA-QGZVFWFLSA-N 1 0 437.462 3.309 40 0 IGABRO CC(=O)NCCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585280032 557220157 /nfs/dbraw/zinc/22/01/57/557220157.db2.gz IYHXYIJYBNFGME-UHFFFAOYSA-N 1 0 426.557 3.306 40 0 IGABRO C[C@@H](C(=O)NCCC[NH+]1CCCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000010450107 557221885 /nfs/dbraw/zinc/22/18/85/557221885.db2.gz DUWTWUAGHGMBBD-IBGZPJMESA-N 1 0 445.585 3.236 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2cc(C)ccc2C)cc1 ZINC000010450050 557221925 /nfs/dbraw/zinc/22/19/25/557221925.db2.gz WBOWEYVUVMGUOS-UHFFFAOYSA-N 1 0 443.613 3.409 40 0 IGABRO O[C@@]1(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287186 557225809 /nfs/dbraw/zinc/22/58/09/557225809.db2.gz KHOKBCASUUXWLH-GPUOULLFSA-N 1 0 429.532 3.357 40 0 IGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)CC1 ZINC000585287342 557225980 /nfs/dbraw/zinc/22/59/80/557225980.db2.gz MUACPQYGKCVDDP-BPCBYJRWSA-N 1 0 425.997 3.484 40 0 IGABRO Cc1cc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1N1CCCC1=O ZINC000219227631 557232177 /nfs/dbraw/zinc/23/21/77/557232177.db2.gz PXYNGRDTYYKZIB-UHFFFAOYSA-N 1 0 443.569 3.396 40 0 IGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 ZINC000604382633 557236994 /nfs/dbraw/zinc/23/69/94/557236994.db2.gz WEVBJGQAMZPVBS-DAVBRLECSA-N 1 0 425.479 3.112 40 0 biogenic,in-vitro IGABRO COc1ccc(Br)cc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000026832988 557249524 /nfs/dbraw/zinc/24/95/24/557249524.db2.gz IZVMVGMBUJXYNZ-UHFFFAOYSA-N 1 0 439.375 3.184 40 0 IGABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)C1 ZINC000260561238 557263676 /nfs/dbraw/zinc/26/36/76/557263676.db2.gz AOPVIVAUOCLZEP-KRWDZBQOSA-N 1 0 435.615 3.425 40 0 IGABRO COc1ccc(NC(=O)c2ccc3nnc([C@@H]4C[N@H+](CC5CC5)CCN4C(C)C)n3c2)cc1 ZINC000107189645 557336069 /nfs/dbraw/zinc/33/60/69/557336069.db2.gz XACIEJSEPBGRLI-QFIPXVFZSA-N 1 0 448.571 3.467 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2cccc(C)c2C)cc1 ZINC000113937681 557379422 /nfs/dbraw/zinc/37/94/22/557379422.db2.gz XHOSXHOEDXITLS-UHFFFAOYSA-N 1 0 429.586 3.018 40 0 IGABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](CCOCc3ccccc3)C2)c1 ZINC000072356454 557387725 /nfs/dbraw/zinc/38/77/25/557387725.db2.gz LXOURDWTPIRXLO-NRFANRHFSA-N 1 0 431.540 3.221 40 0 IGABRO CCN(CCCNC(=O)CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)c1ccccc1 ZINC000014001236 557417584 /nfs/dbraw/zinc/41/75/84/557417584.db2.gz QHZGELCWMQFGAQ-UHFFFAOYSA-N 1 0 435.503 3.440 40 0 IGABRO CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223277538 557455042 /nfs/dbraw/zinc/45/50/42/557455042.db2.gz ZPFQLUSQSGSXOS-GOTSBHOMSA-N 1 0 434.613 3.472 40 0 IGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000223281792 557455528 /nfs/dbraw/zinc/45/55/28/557455528.db2.gz CERLMMWREAACCI-VQTJNVASSA-N 1 0 426.977 3.455 40 0 IGABRO COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223291526 557456521 /nfs/dbraw/zinc/45/65/21/557456521.db2.gz SDOIQXIGGONUQL-VXKWHMMOSA-N 1 0 449.580 3.193 40 0 IGABRO CC(C)C[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000019446893 557499330 /nfs/dbraw/zinc/49/93/30/557499330.db2.gz WUCCWZCMVQMUMF-HXUWFJFHSA-N 1 0 426.565 3.098 40 0 IGABRO CCC[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000019503423 557500411 /nfs/dbraw/zinc/50/04/11/557500411.db2.gz OIXOFOQCCJMEHN-HSZRJFAPSA-N 1 0 449.603 3.309 40 0 IGABRO COc1ccc(Cn2nnnc2[C@H](c2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019556095 557500599 /nfs/dbraw/zinc/50/05/99/557500599.db2.gz JEDYDGPKXXCAMR-DEOSSOPVSA-N 1 0 432.572 3.380 40 0 IGABRO CSc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1NC(=O)C(C)C ZINC000223875441 557524140 /nfs/dbraw/zinc/52/41/40/557524140.db2.gz MMEJVZWUGPYNGW-UHFFFAOYSA-N 1 0 427.636 3.403 40 0 IGABRO CN(c1ccc(C(=O)NCCC[NH+]2CCCC2)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224234819 557579106 /nfs/dbraw/zinc/57/91/06/557579106.db2.gz UWJXIYJALQYBLO-UHFFFAOYSA-N 1 0 435.977 3.381 40 0 IGABRO COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2C)cc1 ZINC000224326527 557592009 /nfs/dbraw/zinc/59/20/09/557592009.db2.gz WYCJPOLDRUCPMD-UHFFFAOYSA-N 1 0 445.585 3.044 40 0 IGABRO CCN(Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224451751 557607629 /nfs/dbraw/zinc/60/76/29/557607629.db2.gz HNAHHRDEFACKOG-UHFFFAOYSA-N 1 0 443.613 3.359 40 0 IGABRO CN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1)S(C)(=O)=O ZINC000224514255 557615040 /nfs/dbraw/zinc/61/50/40/557615040.db2.gz WHASQOOXUDIPKG-UHFFFAOYSA-N 1 0 435.977 3.262 40 0 IGABRO Cc1cccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000224527879 557616917 /nfs/dbraw/zinc/61/69/17/557616917.db2.gz GCSSGSJRKHHHIG-FQEVSTJZSA-N 1 0 443.613 3.452 40 0 IGABRO Cc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1 ZINC000224627285 557632602 /nfs/dbraw/zinc/63/26/02/557632602.db2.gz QUDXYMDBZMANMF-UHFFFAOYSA-N 1 0 443.613 3.453 40 0 IGABRO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224795178 557652098 /nfs/dbraw/zinc/65/20/98/557652098.db2.gz KDMGLPZUMVOHSQ-QHCPKHFHSA-N 1 0 443.613 3.452 40 0 IGABRO COc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 ZINC000061992833 557829765 /nfs/dbraw/zinc/82/97/65/557829765.db2.gz HDQONPFINLODRO-NSVLHPQCSA-N 1 0 440.584 3.102 40 0 IGABRO Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1C ZINC000260897308 568627614 /nfs/dbraw/zinc/62/76/14/568627614.db2.gz KZEVKHVUUZNYKX-HXUWFJFHSA-N 1 0 443.613 3.370 40 0 IGABRO C[NH+](C)CCOc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000257235431 568681690 /nfs/dbraw/zinc/68/16/90/568681690.db2.gz GXUWTLQVXWQEQQ-GMAHTHKFSA-N 1 0 432.948 3.325 40 0 IGABRO CCCn1c2ccc(NC(=O)C[N@H+]3C[C@@H]4[C@@H](Cc5cc(C)ncn5)CC[C@@H]4C3)cc2oc1=O ZINC000257243719 568685614 /nfs/dbraw/zinc/68/56/14/568685614.db2.gz IIGDZLMQSXNQQE-DBXWQHBBSA-N 1 0 449.555 3.242 40 0 IGABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)C(C)(C)O)C[C@@H]32)cc1OC ZINC000257248486 568687842 /nfs/dbraw/zinc/68/78/42/568687842.db2.gz JDVYVSWMNGKSAK-YPAWHYETSA-N 1 0 438.568 3.291 40 0 IGABRO COc1cccc(CC(=O)N2CCO[C@@H](c3cc(Nc4nnc(C)s4)cc(C)n3)C2)c1 ZINC000257268187 568696785 /nfs/dbraw/zinc/69/67/85/568696785.db2.gz MKPXSMGQGIQEJP-HXUWFJFHSA-N 1 0 439.541 3.445 40 0 IGABRO Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCCn2c3ccccc3nc2C(F)(F)F)[C@H]1O ZINC000257271193 568698262 /nfs/dbraw/zinc/69/82/62/568698262.db2.gz MXFQIQRFKPFUHO-SZVBFZGTSA-N 1 0 435.450 3.221 40 0 IGABRO O=C(Nc1ccc2nccnc2c1)[C@@H]1CN(Cc2cccc(Oc3ncccn3)c2)CCO1 ZINC000257296216 568709563 /nfs/dbraw/zinc/70/95/63/568709563.db2.gz RBTBTSAOCSDPQK-QFIPXVFZSA-N 1 0 442.479 3.052 40 0 IGABRO C[N@@H+]1CCCC[C@]1(C)C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257312628 568716665 /nfs/dbraw/zinc/71/66/65/568716665.db2.gz UOVVZCYEZXCRRJ-LJCOXQHRSA-N 1 0 427.633 3.314 40 0 IGABRO CN(C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CCCC[C@@H](n2ccnc2)[C@@H]1O ZINC000257341019 568728977 /nfs/dbraw/zinc/72/89/77/568728977.db2.gz ZIMBRHQKFBRNGL-WXFUMESZSA-N 1 0 440.588 3.365 40 0 IGABRO Cc1nonc1C(=O)NCC(=O)N1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)[nH+]2)C1 ZINC000257341825 568729472 /nfs/dbraw/zinc/72/94/72/568729472.db2.gz ZMCSDVSXDGEPBF-SFHVURJKSA-N 1 0 448.527 3.269 40 0 IGABRO Cc1cc(Nc2nncs2)cc([C@H]2CN(C(=O)CC[NH+]3CCC(C)CC3)CCO2)n1 ZINC000257343814 568730151 /nfs/dbraw/zinc/73/01/51/568730151.db2.gz ZUNICQPQSQQDPD-LJQANCHMSA-N 1 0 430.578 3.007 40 0 IGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218622119 568761721 /nfs/dbraw/zinc/76/17/21/568761721.db2.gz JMWUNQBVJMMLDY-JENIJYKNSA-N 1 0 428.337 3.441 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1cccc(F)c1)C[C@@H]2c1cccnc1 ZINC000306123277 568762527 /nfs/dbraw/zinc/76/25/27/568762527.db2.gz AIZCZRLDBGEELL-NOZRDPDXSA-N 1 0 432.499 3.013 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306127995 568765011 /nfs/dbraw/zinc/76/50/11/568765011.db2.gz GNJSCTVBBOXUFC-ZCYQVOJMSA-N 1 0 432.499 3.013 40 0 IGABRO COc1ccc(C[NH+]2CCC3(CCc4nnc(C(=O)NCCC(C)C)n4C3)CC2)cc1 ZINC000306130034 568766141 /nfs/dbraw/zinc/76/61/41/568766141.db2.gz IUNBGJFLFKMWMW-UHFFFAOYSA-N 1 0 425.577 3.291 40 0 IGABRO CCn1cc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000306133945 568768279 /nfs/dbraw/zinc/76/82/79/568768279.db2.gz MZUVAXBPEAOBIO-WIOPSUGQSA-N 1 0 447.587 3.094 40 0 IGABRO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 ZINC000306136500 568769415 /nfs/dbraw/zinc/76/94/15/568769415.db2.gz PVHPXWIFZNHELW-FCHUYYIVSA-N 1 0 431.492 3.307 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccn3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306136777 568769733 /nfs/dbraw/zinc/76/97/33/568769733.db2.gz QCWKVVJTHYKBJW-RCZVLFRGSA-N 1 0 430.556 3.272 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccncc2)n1 ZINC000328956529 568807477 /nfs/dbraw/zinc/80/74/77/568807477.db2.gz AGTLWECOHXCLJO-UHFFFAOYSA-N 1 0 445.340 3.391 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)c(F)c2)cc(C(F)(F)F)n1 ZINC000328963465 568807801 /nfs/dbraw/zinc/80/78/01/568807801.db2.gz BOIFNXHXZKDAKL-UHFFFAOYSA-N 1 0 436.251 3.348 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000328970784 568807944 /nfs/dbraw/zinc/80/79/44/568807944.db2.gz DMLPPIGGJPSGQF-UHFFFAOYSA-N 1 0 427.350 3.252 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2ccccc2Br)cc(-c2cccnc2)n1 ZINC000329041409 568810026 /nfs/dbraw/zinc/81/00/26/568810026.db2.gz SJIOYQNAHGQXOS-UHFFFAOYSA-N 1 0 441.377 3.121 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2cccnc2)n1 ZINC000329047085 568810317 /nfs/dbraw/zinc/81/03/17/568810317.db2.gz UENFDEVYUXNLGM-UHFFFAOYSA-N 1 0 431.313 3.001 40 0 IGABRO COc1ccc(S(=O)(=O)N2CC[N@@H+](C3CCCC3)C[C@@H](Cc3ccccn3)C2)cc1 ZINC000247901798 569206397 /nfs/dbraw/zinc/20/63/97/569206397.db2.gz GEENOBRZYYCQIB-LJQANCHMSA-N 1 0 429.586 3.198 40 0 IGABRO Cc1nc(C)c(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2C[NH+](C)C)s1 ZINC000248138565 569207154 /nfs/dbraw/zinc/20/71/54/569207154.db2.gz SPENMEPGCDCQOD-NHCUHLMSSA-N 1 0 442.629 3.118 40 0 IGABRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063640 569219930 /nfs/dbraw/zinc/21/99/30/569219930.db2.gz QEDBZFOPBWCPTF-UHFFFAOYSA-N 1 0 430.476 3.480 40 0 IGABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc(C(=O)OC)c1 ZINC000009063545 569219991 /nfs/dbraw/zinc/21/99/91/569219991.db2.gz WBQLPTTXXCJABI-UHFFFAOYSA-N 1 0 428.460 3.250 40 0 IGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC1)O2 ZINC000019498018 569226808 /nfs/dbraw/zinc/22/68/08/569226808.db2.gz HAKFMMFVEYQFHK-HVETUWLQSA-N 1 0 425.525 3.403 40 0 IGABRO CNC(=O)[C@@]1(Cc2cc(C(C)C)no2)CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019739241 569236625 /nfs/dbraw/zinc/23/66/25/569236625.db2.gz IFJPZUNYFZEMHJ-HSZRJFAPSA-N 1 0 425.508 3.304 40 0 IGABRO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(OC(C)C)c(Cn4cccn4)c3)C2)ncc1C(N)=O ZINC000019763721 569238115 /nfs/dbraw/zinc/23/81/15/569238115.db2.gz ADQNXHHGHMBQDG-HXUWFJFHSA-N 1 0 448.571 3.296 40 0 IGABRO O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CC[NH2+]Cc1ccccc1F ZINC000019697828 569326946 /nfs/dbraw/zinc/32/69/46/569326946.db2.gz KZDBUOAFJUALAX-UHFFFAOYSA-N 1 0 435.503 3.037 40 0 IGABRO COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218109511 569456348 /nfs/dbraw/zinc/45/63/48/569456348.db2.gz FRTPTKAXFMZUJC-VIZSFHNOSA-N 1 0 446.569 3.166 40 0 IGABRO CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218647583 569459028 /nfs/dbraw/zinc/45/90/28/569459028.db2.gz QSZSISYOCBVXGG-JTAQYXEDSA-N 1 0 430.570 3.411 40 0 IGABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCO)C[C@@H](c3ccc(F)cc3)N21 ZINC000012603239 523808174 /nfs/dbraw/zinc/80/81/74/523808174.db2.gz JORKWFURZIKOEA-QMZRJTEUSA-N 1 0 437.515 3.233 40 0 biogenic,in-vitro IGABRO C[NH+](C)CCCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccn2)n1 ZINC000329057756 524055851 /nfs/dbraw/zinc/05/58/51/524055851.db2.gz VYFMGSHBSMOZHE-UHFFFAOYSA-N 1 0 432.450 3.388 40 0 IGABRO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000013674663 525523172 /nfs/dbraw/zinc/52/31/72/525523172.db2.gz VJSDOAVKHIDHQQ-UHFFFAOYSA-N 1 0 435.634 3.267 40 0 IGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000070680682 526237410 /nfs/dbraw/zinc/23/74/10/526237410.db2.gz DLPGSFRECXFFPX-HYGVRPNJSA-N 1 0 428.548 3.233 40 0 IGABRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000012235901 526760279 /nfs/dbraw/zinc/76/02/79/526760279.db2.gz LMWGXQPXGYDXCI-IRLDBZIGSA-N 1 0 426.605 3.330 40 0 IGABRO CC[NH+](CC)CCOC(=O)c1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000008870230 556229658 /nfs/dbraw/zinc/22/96/58/556229658.db2.gz XUJZBMYNLLQJNK-NRFANRHFSA-N 1 0 428.485 3.484 40 0 IGABRO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@H]2[C@H](CC[C@@]23Nc2ccccc2C(=O)N3)C1 ZINC000012086076 556399394 /nfs/dbraw/zinc/39/93/94/556399394.db2.gz XIDRILUENROMNM-QTISVLPJSA-N 1 0 430.552 3.316 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000013632249 556539565 /nfs/dbraw/zinc/53/95/65/556539565.db2.gz OGSPUTRZHSVMBY-UHFFFAOYSA-N 1 0 436.405 3.142 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000044857291 556673129 /nfs/dbraw/zinc/67/31/29/556673129.db2.gz FTUSUULZTQYMRY-UHFFFAOYSA-N 1 0 435.977 3.018 40 0 IGABRO Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000044871959 556673354 /nfs/dbraw/zinc/67/33/54/556673354.db2.gz ACJSEABLYGJMJD-FQEVSTJZSA-N 1 0 443.613 3.370 40 0 IGABRO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044899726 556676433 /nfs/dbraw/zinc/67/64/33/556676433.db2.gz UGENORYFQYURJU-HSZRJFAPSA-N 1 0 449.661 3.043 40 0 IGABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019014346 556691435 /nfs/dbraw/zinc/69/14/35/556691435.db2.gz UARGIEJCSISEQX-IYYMRFBLSA-N 1 0 432.568 3.348 40 0 IGABRO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1 ZINC000257322473 556704553 /nfs/dbraw/zinc/70/45/53/556704553.db2.gz WGCRHMBDKIOMJE-XMMPIXPASA-N 1 0 430.552 3.093 40 0 IGABRO OCCC[N@@H+](Cc1ccc(OCCO)cc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000257256235 556712068 /nfs/dbraw/zinc/71/20/68/556712068.db2.gz KKOPQKIJXURTJL-QFIPXVFZSA-N 1 0 448.563 3.411 40 0 IGABRO CCc1nccn1CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257289834 556716014 /nfs/dbraw/zinc/71/60/14/556716014.db2.gz QAJZAUHPQNZCSU-FXSPECFOSA-N 1 0 438.616 3.289 40 0 IGABRO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019343451 556741579 /nfs/dbraw/zinc/74/15/79/556741579.db2.gz BYBAZTMNGCTDQH-HNNXBMFYSA-N 1 0 440.594 3.471 40 0 IGABRO O=C(NCCCn1ccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372555 556749065 /nfs/dbraw/zinc/74/90/65/556749065.db2.gz LWVCYZHJQKDRDE-DHIUTWEWSA-N 1 0 434.515 3.160 40 0 IGABRO O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019400157 556752769 /nfs/dbraw/zinc/75/27/69/556752769.db2.gz PCZAZXFNIVILEE-JOCHJYFZSA-N 1 0 435.572 3.471 40 0 IGABRO O=C(Cc1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019401219 556753560 /nfs/dbraw/zinc/75/35/60/556753560.db2.gz XJIJUHNPFOIZEC-QHCPKHFHSA-N 1 0 449.599 3.400 40 0 IGABRO CC(C)c1ccc(=O)n(CC2(O)C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc3c(c2)OCCO3)n1 ZINC000019453086 556763943 /nfs/dbraw/zinc/76/39/43/556763943.db2.gz WHVMHPHPNVYOPD-WPUZRXDDSA-N 1 0 439.556 3.086 40 0 IGABRO C[C@H](CN(C)C(=O)C[NH+]1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)c1ccccc1 ZINC000019455884 556765487 /nfs/dbraw/zinc/76/54/87/556765487.db2.gz CQCSJSWEGULEEJ-HXUWFJFHSA-N 1 0 436.600 3.411 40 0 IGABRO C[C@@H]1Cc2cc(C[N@@H+]3C[C@H](C(=O)N(C)C)[C@@H](c4ccnc(N5CCCCC5)n4)C3)ccc2O1 ZINC000019498209 556770634 /nfs/dbraw/zinc/77/06/34/556770634.db2.gz FQZRUQJYYAQCBT-COPCDDAFSA-N 1 0 449.599 3.094 40 0 IGABRO CCn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)n1 ZINC000019525155 556782600 /nfs/dbraw/zinc/78/26/00/556782600.db2.gz YOZRVHXEFDOJAR-NRFANRHFSA-N 1 0 438.576 3.457 40 0 IGABRO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2cncn2C)C1 ZINC000019530073 556791344 /nfs/dbraw/zinc/79/13/44/556791344.db2.gz LBYJGURMPUJQAJ-NZQKXSOJSA-N 1 0 428.508 3.288 40 0 IGABRO CS(=O)(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(OCc4ccccc4)CC3)ccc21 ZINC000019572468 556812864 /nfs/dbraw/zinc/81/28/64/556812864.db2.gz QKLDQMSLBBWYBB-DEOSSOPVSA-N 1 0 444.597 3.113 40 0 IGABRO CCOc1ccc2[nH]c(=O)c(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)cc2c1 ZINC000004133091 556819237 /nfs/dbraw/zinc/81/92/37/556819237.db2.gz WBLMWWQTBBEKCH-UHFFFAOYSA-N 1 0 430.618 3.498 40 0 IGABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NCCCOC)cc2c1 ZINC000004133667 556819548 /nfs/dbraw/zinc/81/95/48/556819548.db2.gz QVNWCJKRLLOTAR-UHFFFAOYSA-N 1 0 432.634 3.145 40 0 IGABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=S)N[C@H](C)CC)cc2c1 ZINC000004162127 556820584 /nfs/dbraw/zinc/82/05/84/556820584.db2.gz IKHQACNOFSSIQQ-QGZVFWFLSA-N 1 0 430.618 3.498 40 0 IGABRO CS(=O)(=O)N1CCC(c2ccc(C(=O)Nc3ccccc3C[NH+]3CCCC3)cn2)CC1 ZINC000019708124 556868139 /nfs/dbraw/zinc/86/81/39/556868139.db2.gz KYTFLKSETJUBHF-UHFFFAOYSA-N 1 0 442.585 3.069 40 0 IGABRO Cc1nc([C@@H]2CCCCN2C(=O)C[NH+]2CCC(C)CC2)nc2c1CCC(=O)N2CC1CC1 ZINC000019740988 556882182 /nfs/dbraw/zinc/88/21/82/556882182.db2.gz SBLIJNHJKPIEAO-NRFANRHFSA-N 1 0 439.604 3.260 40 0 IGABRO Cc1ncsc1C(=O)N1CCCC[C@@H]1C1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000019746403 556892222 /nfs/dbraw/zinc/89/22/22/556892222.db2.gz QUADXNRUGAZRFT-LJQANCHMSA-N 1 0 428.606 3.214 40 0 IGABRO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)CC1 ZINC000019749510 556893620 /nfs/dbraw/zinc/89/36/20/556893620.db2.gz AJRZQCIDRRBDOJ-QFIPXVFZSA-N 1 0 433.618 3.131 40 0 IGABRO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc1C ZINC000019753472 556897137 /nfs/dbraw/zinc/89/71/37/556897137.db2.gz CMEVVOGVWPFPHZ-FQEVSTJZSA-N 1 0 437.544 3.195 40 0 IGABRO CC[NH+](CC)Cc1c(C)onc1C(=O)N1CC[C@@H](c2cc(C(=O)NC)c3ccccc3n2)C1 ZINC000019761140 556904301 /nfs/dbraw/zinc/90/43/01/556904301.db2.gz LWRGCOKRVBHIAJ-QGZVFWFLSA-N 1 0 449.555 3.362 40 0 IGABRO CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000072344896 556915816 /nfs/dbraw/zinc/91/58/16/556915816.db2.gz OGZMGUMEZRBTGV-FQEVSTJZSA-N 1 0 432.590 3.368 40 0 IGABRO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc1 ZINC000072356453 556931308 /nfs/dbraw/zinc/93/13/08/556931308.db2.gz OLWVZVHBGNGYEI-OAQYLSRUSA-N 1 0 431.540 3.221 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409051443 556933197 /nfs/dbraw/zinc/93/31/97/556933197.db2.gz ADQBEFLMMMCOPP-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO CN(C)c1cc(C[NH+](C)C)nc([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1 ZINC000072370115 556933717 /nfs/dbraw/zinc/93/37/17/556933717.db2.gz ZYRZZSKDYXEMQV-LJQANCHMSA-N 1 0 427.568 3.472 40 0 IGABRO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@H+](C)CCOc3ccc(C)cc3)cc2)C1 ZINC000072370197 556934101 /nfs/dbraw/zinc/93/41/01/556934101.db2.gz INCXPDAGHHMPCN-RPBOFIJWSA-N 1 0 437.584 3.156 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3cccc(OC)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409056839 556934361 /nfs/dbraw/zinc/93/43/61/556934361.db2.gz OIBRURBSQUIIJT-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO Cc1ccc([C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 ZINC000409057264 556934575 /nfs/dbraw/zinc/93/45/75/556934575.db2.gz KBZGDKLZWJPFLR-BJKOFHAPSA-O 1 0 427.528 3.077 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(Cl)cc3)C(=O)N/[N+]2=C\c2ccccc2)cc1 ZINC000409058473 556935437 /nfs/dbraw/zinc/93/54/37/556935437.db2.gz XWXCLPAOMKEXJE-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)cc1 ZINC000409058950 556936340 /nfs/dbraw/zinc/93/63/40/556936340.db2.gz ZYOPOTDHDXFJLO-LMOLPZMTSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409054757 556938315 /nfs/dbraw/zinc/93/83/15/556938315.db2.gz NPNQVWFIMJNFOP-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409065325 556941434 /nfs/dbraw/zinc/94/14/34/556941434.db2.gz FZKMGINMZMXEPI-YCAYNYMGSA-O 1 0 444.511 3.110 40 0 IGABRO Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)n1 ZINC000072374971 556949810 /nfs/dbraw/zinc/94/98/10/556949810.db2.gz OGTVYEDIMNPVKX-LJQANCHMSA-N 1 0 432.528 3.108 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3nccs3)n2)ccc1OCC(N)=O ZINC000072375748 556953102 /nfs/dbraw/zinc/95/31/02/556953102.db2.gz BHAUKURACNTHDQ-KRWDZBQOSA-N 1 0 439.541 3.492 40 0 IGABRO COc1ccc(C[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c(OC)c1 ZINC000072395697 556968049 /nfs/dbraw/zinc/96/80/49/556968049.db2.gz QZFZMLJZSPZRJP-FUHWJXTLSA-N 1 0 425.455 3.495 40 0 IGABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000072398720 556970741 /nfs/dbraw/zinc/97/07/41/556970741.db2.gz ALSBKKQFVFBFLU-OFNKIYASSA-N 1 0 434.584 3.438 40 0 IGABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000257321478 557004934 /nfs/dbraw/zinc/00/49/34/557004934.db2.gz WBWDNJZROYXUKM-DHIUTWEWSA-N 1 0 448.611 3.240 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCCN3C(=O)CNC(=O)c3ccccc3)CC2)cc1 ZINC000585099986 557034481 /nfs/dbraw/zinc/03/44/81/557034481.db2.gz BZNDLIZZVRHCER-AREMUKBSSA-N 1 0 435.568 3.472 40 0 IGABRO COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCCC3)CC2)c(OC)c1 ZINC000022928708 557049065 /nfs/dbraw/zinc/04/90/65/557049065.db2.gz RJBAYTJUCUDDJQ-QFIPXVFZSA-N 1 0 442.608 3.485 40 0 IGABRO COc1ccc(N2C[C@H](C(=O)N3CCCC4=C[C@@H]5C[C@@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)CC2=O)cc1 ZINC000409413547 557109693 /nfs/dbraw/zinc/10/96/93/557109693.db2.gz CCDXVWLCRJJTAC-SPQOFCSKSA-N 1 0 449.595 3.470 40 0 IGABRO COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000006198544 557150435 /nfs/dbraw/zinc/15/04/35/557150435.db2.gz WTYTXLAMMDLFEV-UHFFFAOYSA-N 1 0 438.597 3.365 40 0 IGABRO CCN1C(=O)[C@H]2C[N@H+](CC(C)C)C[C@H]2C12CCN(C(=O)Nc1cccc(OC)c1)CC2 ZINC000096143609 557170430 /nfs/dbraw/zinc/17/04/30/557170430.db2.gz MYLAXSXXGGDIPW-LEWJYISDSA-N 1 0 428.577 3.128 40 0 IGABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)CCc2ccccc2)CC3)C1=O ZINC000096144332 557172073 /nfs/dbraw/zinc/17/20/73/557172073.db2.gz PPIJKNKDHCTOJX-AREMUKBSSA-N 1 0 425.617 3.438 40 0 IGABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)Nc2ccc(C)nc2)Cn2ccnc23)cc1 ZINC000096144918 557173731 /nfs/dbraw/zinc/17/37/31/557173731.db2.gz DDXBRWIBAJPGFP-JOCHJYFZSA-N 1 0 447.539 3.124 40 0 IGABRO COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000096215665 557183688 /nfs/dbraw/zinc/18/36/88/557183688.db2.gz XTQPFXHNKOHFMU-HSZRJFAPSA-N 1 0 430.570 3.381 40 0 IGABRO CCc1ccccc1NC(=O)N1CCC2(C[N@@H+](CCOC)C[C@@]23CCN(CC)C3=O)CC1 ZINC000096262808 557190482 /nfs/dbraw/zinc/19/04/82/557190482.db2.gz BWHMDEBNSIUXOT-RUZDIDTESA-N 1 0 442.604 3.064 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(C(C)C)cc2)cc1 ZINC000010111368 557204105 /nfs/dbraw/zinc/20/41/05/557204105.db2.gz UPUURVLLQFHZKQ-UHFFFAOYSA-N 1 0 431.602 3.382 40 0 IGABRO O=C1CCCN1CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc4ccccc43)C2)cc1 ZINC000585267910 557207273 /nfs/dbraw/zinc/20/72/73/557207273.db2.gz VYWVUSHTZCCFLI-AHWVRZQESA-N 1 0 446.547 3.465 40 0 IGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585284977 557224434 /nfs/dbraw/zinc/22/44/34/557224434.db2.gz BFMNUXHDXDWMQC-JIOQYBSPSA-N 1 0 427.532 3.109 40 0 IGABRO O[C@]1(C[NH2+]C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCN(c2ccnc3cccnc32)C1 ZINC000585285162 557224818 /nfs/dbraw/zinc/22/48/18/557224818.db2.gz WJPFEOOSQLYABN-BYXVTNLJSA-N 1 0 432.568 3.250 40 0 IGABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000011340496 557228451 /nfs/dbraw/zinc/22/84/51/557228451.db2.gz CRKVNIRYYVSXHK-UHFFFAOYSA-N 1 0 428.533 3.436 40 0 IGABRO CC(C)C[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929654 557273916 /nfs/dbraw/zinc/27/39/16/557273916.db2.gz PHBSSYUHKRDKTO-NRFANRHFSA-N 1 0 440.592 3.488 40 0 IGABRO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](CCOCc3ccccc3)C2)c1 ZINC000072356455 557387789 /nfs/dbraw/zinc/38/77/89/557387789.db2.gz LXOURDWTPIRXLO-OAQYLSRUSA-N 1 0 431.540 3.221 40 0 IGABRO COc1ccccc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)C)cc2)CC1 ZINC000040373261 557414563 /nfs/dbraw/zinc/41/45/63/557414563.db2.gz OQNBLLXGZQFVHK-JOCHJYFZSA-N 1 0 428.573 3.397 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1 ZINC000019499547 557499679 /nfs/dbraw/zinc/49/96/79/557499679.db2.gz ABSDPVZYHKBBBP-NRFANRHFSA-N 1 0 437.592 3.003 40 0 IGABRO Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000224606407 557630347 /nfs/dbraw/zinc/63/03/47/557630347.db2.gz XARWNRCMBRCSNV-FQEVSTJZSA-N 1 0 443.613 3.370 40 0 IGABRO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000224619213 557631542 /nfs/dbraw/zinc/63/15/42/557631542.db2.gz GYQYPZKGVXISDE-QFIPXVFZSA-N 1 0 429.586 3.143 40 0 IGABRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000224689665 557640633 /nfs/dbraw/zinc/64/06/33/557640633.db2.gz HIFJCWMRGCWUOA-SFHVURJKSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1C ZINC000224813661 557654628 /nfs/dbraw/zinc/65/46/28/557654628.db2.gz JDOUNJZQPAPHEI-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000061992816 557829714 /nfs/dbraw/zinc/82/97/14/557829714.db2.gz CCINPNZGQSKDQW-WVBGXPNBSA-N 1 0 428.548 3.233 40 0 IGABRO COc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1 ZINC000061992834 557829725 /nfs/dbraw/zinc/82/97/25/557829725.db2.gz HDQONPFINLODRO-ANRVEWNMSA-N 1 0 440.584 3.102 40 0 IGABRO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000260760799 557853515 /nfs/dbraw/zinc/85/35/15/557853515.db2.gz ACYXLMNPDYFEEE-RXVVDRJESA-N 1 0 439.622 3.011 40 0 IGABRO O=C1CCCN1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585270476 568616855 /nfs/dbraw/zinc/61/68/55/568616855.db2.gz DOALZYNJNHSOHJ-AREMUKBSSA-N 1 0 438.568 3.484 40 0 IGABRO Cc1cccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000260897369 568627611 /nfs/dbraw/zinc/62/76/11/568627611.db2.gz LNFGYUSRXNQDNI-HXUWFJFHSA-N 1 0 443.613 3.452 40 0 IGABRO CCCCCC(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCN(C)CC2)CC1 ZINC000257213694 568671300 /nfs/dbraw/zinc/67/13/00/568671300.db2.gz CIRTWKTUPBEIPJ-UHFFFAOYSA-N 1 0 429.605 3.419 40 0 IGABRO COc1ccc([C@H]2C[N@H+](C)[C@@H]3CCN(C(=O)COc4c(OC)cccc4OC)C[C@@H]32)cc1 ZINC000257219150 568674095 /nfs/dbraw/zinc/67/40/95/568674095.db2.gz DFUQAOCUXFDVGO-NJDAHSKKSA-N 1 0 440.540 3.038 40 0 IGABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 ZINC000257243837 568685605 /nfs/dbraw/zinc/68/56/05/568685605.db2.gz IITOCFMPRRMHCE-IBGZPJMESA-N 1 0 430.574 3.198 40 0 IGABRO CNc1nc([C@@H]2CCN(C(=O)CCCc3ccc(F)c(C)c3)C2)nc2c1CN(C)CC2 ZINC000257307956 568714576 /nfs/dbraw/zinc/71/45/76/568714576.db2.gz TUWHBRVHUFTWOW-GOSISDBHSA-N 1 0 425.552 3.293 40 0 IGABRO CC1(C(=O)N2CCOC[C@H](Cc3cn4ccnc4cn3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000257336633 568727224 /nfs/dbraw/zinc/72/72/24/568727224.db2.gz YPHITJPBMKWEMC-JOCHJYFZSA-N 1 0 447.583 3.049 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306127994 568764991 /nfs/dbraw/zinc/76/49/91/568764991.db2.gz GNJSCTVBBOXUFC-UKILVPOCSA-N 1 0 432.499 3.013 40 0 IGABRO COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(OC)c4)CC2)CN(C)C3)cc1 ZINC000306129126 568765348 /nfs/dbraw/zinc/76/53/48/568765348.db2.gz HVDXDELJCTWHHE-UHFFFAOYSA-N 1 0 433.556 3.399 40 0 IGABRO Cc1cc(C)cc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129390 568765621 /nfs/dbraw/zinc/76/56/21/568765621.db2.gz IBSSISUPRXXHKY-XNMGPUDCSA-N 1 0 442.563 3.491 40 0 IGABRO COc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136248 568769516 /nfs/dbraw/zinc/76/95/16/568769516.db2.gz POCBJZOMCURPJB-AHKZPQOWSA-N 1 0 443.547 3.487 40 0 IGABRO COc1cccc(NC(=O)[C@@H]2C[N@H+](C)CC3(CCN(C(=O)c4ccc(C)s4)CC3)O2)c1 ZINC000306140916 568772039 /nfs/dbraw/zinc/77/20/39/568772039.db2.gz VGSYYSLDSMGSJX-IBGZPJMESA-N 1 0 443.569 3.009 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)cc2F)cc(C(F)(F)F)n1 ZINC000328988499 568808580 /nfs/dbraw/zinc/80/85/80/568808580.db2.gz IHBWKUMQFYSEGM-UHFFFAOYSA-N 1 0 436.251 3.348 40 0 IGABRO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023643382 568860150 /nfs/dbraw/zinc/86/01/50/568860150.db2.gz SPPRKROKHZPZNZ-FQEVSTJZSA-N 1 0 437.462 3.226 40 0 IGABRO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)[nH]n1 ZINC000257198967 568921710 /nfs/dbraw/zinc/92/17/10/568921710.db2.gz NNOIQBMRUQNVGM-SMKKKYSBSA-N 1 0 434.588 3.462 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCN(C(=O)C[C@@H]4C=CCC4)C3)[nH]c(=O)c2C1 ZINC000248126819 569207174 /nfs/dbraw/zinc/20/71/74/569207174.db2.gz HUGXMROWVOQRKB-UYAOXDASSA-N 1 0 448.567 3.421 40 0 IGABRO C[NH+](C)CCCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000010111364 569221142 /nfs/dbraw/zinc/22/11/42/569221142.db2.gz QYDGTEDMEWIAIY-UHFFFAOYSA-N 1 0 444.384 3.257 40 0 IGABRO C[C@@H](CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000019455886 569226690 /nfs/dbraw/zinc/22/66/90/569226690.db2.gz AXWIDKGJOYRIDG-RBBKRZOGSA-N 1 0 436.600 3.411 40 0 IGABRO CNC(=O)c1[nH]c(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)nc1-c1ccc(F)cc1 ZINC000019698876 569230252 /nfs/dbraw/zinc/23/02/52/569230252.db2.gz SDHRQBCLTAVTDB-UHFFFAOYSA-N 1 0 441.551 3.204 40 0 IGABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cnc(N4CCOCC4)nc3)cc2)C1 ZINC000019711832 569235049 /nfs/dbraw/zinc/23/50/49/569235049.db2.gz RQTVOVUBUVXNFK-YADHBBJMSA-N 1 0 439.560 3.127 40 0 IGABRO Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009087952 569293703 /nfs/dbraw/zinc/29/37/03/569293703.db2.gz INMYNIWXRXBYHO-FLFXDLLNSA-N 1 0 435.911 3.388 40 0 IGABRO CCn1c(C[N@@H+]2CC[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)nc2ccccc21 ZINC000019761416 569328712 /nfs/dbraw/zinc/32/87/12/569328712.db2.gz YWLHSEHZWKRWPM-GOSISDBHSA-N 1 0 443.551 3.316 40 0 IGABRO Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218609507 569458759 /nfs/dbraw/zinc/45/87/59/569458759.db2.gz PZNWUMMNDSWCMW-QTEQDKRBSA-N 1 0 430.570 3.465 40 0 IGABRO CCC(CC)c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)COC)nc(-c2ccncc2)n1 ZINC000008622994 291355030 /nfs/dbraw/zinc/35/50/30/291355030.db2.gz NXKVMOUCSLJBKA-HBMCJLEFSA-N 1 0 437.588 3.383 40 0 biogenic,in-vitro IGABRO COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)CCc3ccccc3)CC2)cs1 ZINC000225467146 291356776 /nfs/dbraw/zinc/35/67/76/291356776.db2.gz MICMFZWXALOISZ-HXUWFJFHSA-N 1 0 443.613 3.197 40 0 biogenic,in-vitro IGABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022865571 519803478 /nfs/dbraw/zinc/80/34/78/519803478.db2.gz KNUYMKCLEZNCKC-AYEXWZOKSA-N 1 0 432.605 3.371 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccc(C)c(C)c2)cc1 ZINC000013671974 556552625 /nfs/dbraw/zinc/55/26/25/556552625.db2.gz MSURAARYPRFASB-UHFFFAOYSA-N 1 0 443.613 3.409 40 0 IGABRO [NH3+][C@@H](Cc1ccccc1)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000033989303 556570459 /nfs/dbraw/zinc/57/04/59/556570459.db2.gz HBPTXDXGWDVDON-NNWRFLSQSA-N 1 0 425.554 3.302 40 0 IGABRO CC[NH+](CC)CCN(S(=O)(=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016693693 556627956 /nfs/dbraw/zinc/62/79/56/556627956.db2.gz UZMQDHXMDBYODV-UHFFFAOYSA-N 1 0 445.006 3.203 40 0 IGABRO Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044874142 556673750 /nfs/dbraw/zinc/67/37/50/556673750.db2.gz SHQCQRIXNSABCD-FQEVSTJZSA-N 1 0 443.613 3.452 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1F ZINC000257317890 556703927 /nfs/dbraw/zinc/70/39/27/556703927.db2.gz VLPHBHBXIOJSRW-VDKIKQQVSA-N 1 0 444.522 3.268 40 0 IGABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCN3CCCC3=O)cc2)c(C)c1 ZINC000257245746 556711125 /nfs/dbraw/zinc/71/11/25/556711125.db2.gz IQYBCKVZBUNQSD-QFIPXVFZSA-N 1 0 426.557 3.176 40 0 IGABRO CCOc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000257250064 556711374 /nfs/dbraw/zinc/71/13/74/556711374.db2.gz JKVSWQKQXBLIDL-FQEVSTJZSA-N 1 0 425.529 3.270 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc(OC)c1OC ZINC000019239097 556724455 /nfs/dbraw/zinc/72/44/55/556724455.db2.gz UJXJDPBKEFPMGN-INIZCTEOSA-N 1 0 425.489 3.240 40 0 IGABRO COc1ccccc1CCC(=O)NC1CC[NH+](Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019288973 556729120 /nfs/dbraw/zinc/72/91/20/556729120.db2.gz AZVBSHYCPFXXAH-UHFFFAOYSA-N 1 0 433.556 3.204 40 0 IGABRO O=C1CCCN1c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000019332362 556737593 /nfs/dbraw/zinc/73/75/93/556737593.db2.gz ANQQANGNKUODFP-YADHBBJMSA-N 1 0 440.515 3.337 40 0 IGABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000019371953 556748808 /nfs/dbraw/zinc/74/88/08/556748808.db2.gz XQRNKNDKIYTWPU-OAQYLSRUSA-N 1 0 432.572 3.312 40 0 IGABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cccc(OC)c2)C3)c(OCC)n1 ZINC000019531646 556792000 /nfs/dbraw/zinc/79/20/00/556792000.db2.gz XGIUWWIKLRAHSR-QRQCMCJISA-N 1 0 427.545 3.402 40 0 IGABRO Cc1n[nH]c(C)c1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019579047 556816395 /nfs/dbraw/zinc/81/63/95/556816395.db2.gz PCXTVZGLKBNEEU-DHIUTWEWSA-N 1 0 434.515 3.413 40 0 IGABRO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000006089503 556828719 /nfs/dbraw/zinc/82/87/19/556828719.db2.gz YQDQWQNGHJURHC-UHFFFAOYSA-N 1 0 429.527 3.277 40 0 IGABRO COCCOc1cc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)ccc1OC ZINC000019593617 556829721 /nfs/dbraw/zinc/82/97/21/556829721.db2.gz RCTAZUXNNXVCAU-SFHVURJKSA-N 1 0 443.573 3.348 40 0 IGABRO C[C@@H]1CCC[N@H+](CC(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)C1 ZINC000019705801 556863236 /nfs/dbraw/zinc/86/32/36/556863236.db2.gz XVGGMKNPYGWEON-MRXNPFEDSA-N 1 0 427.574 3.228 40 0 IGABRO CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)Nc3ccccc3C[NH+]3CCCC3)cn2)C1 ZINC000019706071 556863829 /nfs/dbraw/zinc/86/38/29/556863829.db2.gz MAWSTQPQKJFAJS-FQEVSTJZSA-N 1 0 442.585 3.069 40 0 IGABRO CC(C)N(C(=O)CN(C)Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)C)n1)C1CCCCC1 ZINC000019709962 556871562 /nfs/dbraw/zinc/87/15/62/556871562.db2.gz ZDXDAGKPGSHUDR-IBGZPJMESA-N 1 0 430.641 3.011 40 0 IGABRO CNc1nc(C2CCN(C(=O)CC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)nc2c1CCN(C)C2 ZINC000019710944 556874886 /nfs/dbraw/zinc/87/48/86/556874886.db2.gz JDPYCDVCDILFEG-UHFFFAOYSA-N 1 0 442.652 3.159 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 ZINC000019741621 556884215 /nfs/dbraw/zinc/88/42/15/556884215.db2.gz RFRHAJALTWXUJV-NRFANRHFSA-N 1 0 449.599 3.312 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000019741843 556884898 /nfs/dbraw/zinc/88/48/98/556884898.db2.gz NTOMZRYUVCEFQT-QFIPXVFZSA-N 1 0 449.599 3.312 40 0 IGABRO Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)nc2n(C)c1=O ZINC000019743489 556888231 /nfs/dbraw/zinc/88/82/31/556888231.db2.gz ITAGBMFDACTEMC-MRXNPFEDSA-N 1 0 446.473 3.073 40 0 IGABRO CNc1nc([C@H]2CCCCN2CC(=O)N(C(C)C)C2CCCCC2)nc2c1CC[NH2+]C2 ZINC000019754873 556898123 /nfs/dbraw/zinc/89/81/23/556898123.db2.gz YPMZEUXSHIKORX-OAQYLSRUSA-N 1 0 428.625 3.261 40 0 IGABRO CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000072344892 556915798 /nfs/dbraw/zinc/91/57/98/556915798.db2.gz SCLPUBMPPFVQNK-IBGZPJMESA-N 1 0 436.553 3.465 40 0 IGABRO CN(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409057038 556934351 /nfs/dbraw/zinc/93/43/51/556934351.db2.gz GJBNZDXMNZEDMH-GOTSBHOMSA-O 1 0 447.946 3.422 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409057311 556934573 /nfs/dbraw/zinc/93/45/73/556934573.db2.gz KLKGUGAYDJKNMP-WAUWHALJSA-O 1 0 432.475 3.159 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409057690 556935005 /nfs/dbraw/zinc/93/50/05/556935005.db2.gz WASVGWJTFZHOCI-JLSHEFHBSA-O 1 0 444.511 3.110 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409060083 556936971 /nfs/dbraw/zinc/93/69/71/556936971.db2.gz SJTFRZMNOVTNAT-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409054127 556938118 /nfs/dbraw/zinc/93/81/18/556938118.db2.gz MWPTUZBLXZPBBA-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409061994 556939580 /nfs/dbraw/zinc/93/95/80/556939580.db2.gz LFKDITULBDBDJK-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000409062286 556939947 /nfs/dbraw/zinc/93/99/47/556939947.db2.gz RIGMMLSQMDHBAE-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409062593 556940069 /nfs/dbraw/zinc/94/00/69/556940069.db2.gz XHEWTXDQBYFQKQ-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409066039 556941559 /nfs/dbraw/zinc/94/15/59/556941559.db2.gz GTEHCHFELCWGGQ-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO C[C@H](CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000072373066 556945451 /nfs/dbraw/zinc/94/54/51/556945451.db2.gz AXWIDKGJOYRIDG-IRLDBZIGSA-N 1 0 436.600 3.411 40 0 IGABRO COc1ccc([C@H](CNc2cc(-c3ccnc(N4CCOCC4)c3)nc(C)n2)[NH+](C)C)cc1 ZINC000072373226 556945810 /nfs/dbraw/zinc/94/58/10/556945810.db2.gz QGYOSAZKLRDSKB-QHCPKHFHSA-N 1 0 448.571 3.407 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409072772 556946213 /nfs/dbraw/zinc/94/62/13/556946213.db2.gz SJLZKLMFTOEZQL-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cccc(-n5nc(C)cc5C)c4)C[C@H]32)c(OC)n1 ZINC000072392619 556964040 /nfs/dbraw/zinc/96/40/40/556964040.db2.gz IUNYUNSJKDWUNH-UWUFEASWSA-N 1 0 449.555 3.026 40 0 IGABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)Cn4nc(C)ccc4=O)CC3)CCCCC2)cc1 ZINC000072393586 556964841 /nfs/dbraw/zinc/96/48/41/556964841.db2.gz VOSWJFZNZSOUCB-UHFFFAOYSA-N 1 0 436.600 3.343 40 0 IGABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000072394867 556966180 /nfs/dbraw/zinc/96/61/80/556966180.db2.gz QJGDJMGWLHRFTJ-BJKOFHAPSA-N 1 0 449.595 3.256 40 0 IGABRO O=C(c1cccs1)N1CCc2nc(C3CC[NH+](Cc4ccsc4)CC3)[nH]c(=O)c2C1 ZINC000072398987 556971130 /nfs/dbraw/zinc/97/11/30/556971130.db2.gz OJYKHWKPCXRTFI-UHFFFAOYSA-N 1 0 440.594 3.471 40 0 IGABRO O=C1C[C@]2(CN1Cc1ccccc1)COCC[N@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104807 557037916 /nfs/dbraw/zinc/03/79/16/557037916.db2.gz UKVZVOKHDROUBJ-DEOSSOPVSA-N 1 0 434.565 3.456 40 0 IGABRO O=C(c1ccc(Cl)c(F)c1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106293 557039500 /nfs/dbraw/zinc/03/95/00/557039500.db2.gz ORTXVWAYPSUVPB-MOPGFXCFSA-N 1 0 441.934 3.332 40 0 IGABRO COc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 ZINC000006198584 557150355 /nfs/dbraw/zinc/15/03/55/557150355.db2.gz DPARXIFBAQBJEL-UHFFFAOYSA-N 1 0 438.597 3.018 40 0 IGABRO CC(C)C[N@@H+]1CC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144205 557171717 /nfs/dbraw/zinc/17/17/17/557171717.db2.gz GXVGHUOLLZELSJ-AREMUKBSSA-N 1 0 434.584 3.277 40 0 IGABRO O=S1(=O)c2ccccc2OCC2(CC[NH+](Cc3ccccn3)CC2)CN1CC1CC1 ZINC000096145190 557174380 /nfs/dbraw/zinc/17/43/80/557174380.db2.gz QZOWSPOBIWDLDF-UHFFFAOYSA-N 1 0 427.570 3.157 40 0 IGABRO COc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)cc1 ZINC000096216412 557183970 /nfs/dbraw/zinc/18/39/70/557183970.db2.gz JQFOPZJNRARERL-HSZRJFAPSA-N 1 0 430.570 3.251 40 0 IGABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 ZINC000096242213 557185956 /nfs/dbraw/zinc/18/59/56/557185956.db2.gz FLZCSIBVGGBFCC-LJQANCHMSA-N 1 0 425.598 3.477 40 0 IGABRO O=C(NCCc1ccccn1)c1ccc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096267526 557193241 /nfs/dbraw/zinc/19/32/41/557193241.db2.gz KUOZEDOCSCSJRW-FQEVSTJZSA-N 1 0 426.524 3.086 40 0 IGABRO CC(=O)N[C@]12CN(C(=O)c3cc4cc(F)ccc4n3C)[C@H](c3ccccc3)[C@H]1C[N@@H+](C)CC2 ZINC000585261217 557194717 /nfs/dbraw/zinc/19/47/17/557194717.db2.gz BBXFJFOPKPMRTI-YMVVMYQSSA-N 1 0 448.542 3.341 40 0 IGABRO C[C@]1(O)CN(C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1Oc1cccc(F)c1 ZINC000585262219 557201293 /nfs/dbraw/zinc/20/12/93/557201293.db2.gz GBTSAXSCOPUNMC-ZCYQVOJMSA-N 1 0 442.531 3.345 40 0 IGABRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000010288991 557213670 /nfs/dbraw/zinc/21/36/70/557213670.db2.gz QPOIPQGYGLTNSG-UHFFFAOYSA-N 1 0 441.597 3.128 40 0 IGABRO O[C@@]1(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585284958 557224447 /nfs/dbraw/zinc/22/44/47/557224447.db2.gz BDQGSCPVHYQQPR-IEZKXTBUSA-N 1 0 429.532 3.357 40 0 IGABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382099 557236711 /nfs/dbraw/zinc/23/67/11/557236711.db2.gz DJSDTXDDIHJYDT-UAFMIMERSA-N 1 0 437.506 3.483 40 0 biogenic,in-vitro IGABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCC3)C4)C2)CC1 ZINC000100238818 557254271 /nfs/dbraw/zinc/25/42/71/557254271.db2.gz RVARIKQFKGPQMK-LMMKCTJWSA-N 1 0 428.577 3.004 40 0 IGABRO CC[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773644 557265706 /nfs/dbraw/zinc/26/57/06/557265706.db2.gz NMUPNGJJXVESJB-AJSBUHFISA-N 1 0 437.584 3.111 40 0 IGABRO Cc1nccn1CCCOc1cccc(C[N@@H+]2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)c1 ZINC000585295451 557279363 /nfs/dbraw/zinc/27/93/63/557279363.db2.gz ZPIIICZIVIGFCP-TWJOJJKGSA-N 1 0 435.568 3.290 40 0 IGABRO Cc1cccc(N([C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000220154338 557283121 /nfs/dbraw/zinc/28/31/21/557283121.db2.gz FBFNFBIYDWSSPQ-GOSISDBHSA-N 1 0 445.585 3.261 40 0 IGABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1 ZINC000260565693 557285612 /nfs/dbraw/zinc/28/56/12/557285612.db2.gz SJSZHPLCIFPCOT-FQEVSTJZSA-N 1 0 443.613 3.359 40 0 IGABRO CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(CCC[NH+]2CCOCC2)c1C ZINC000222779239 557386222 /nfs/dbraw/zinc/38/62/22/557386222.db2.gz DGOLABNWHSJKKD-YADHBBJMSA-N 1 0 427.618 3.215 40 0 IGABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1nccs1 ZINC000223256979 557451531 /nfs/dbraw/zinc/45/15/31/557451531.db2.gz IVPSQRMKMBXMDP-RTBURBONSA-N 1 0 426.615 3.480 40 0 IGABRO CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223277641 557454979 /nfs/dbraw/zinc/45/49/79/557454979.db2.gz ZPFQLUSQSGSXOS-XZOQPEGZSA-N 1 0 434.613 3.472 40 0 IGABRO COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223291928 557456544 /nfs/dbraw/zinc/45/65/44/557456544.db2.gz QGKMZRUXMWVSJS-YADHBBJMSA-N 1 0 449.580 3.193 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223355844 557461863 /nfs/dbraw/zinc/46/18/63/557461863.db2.gz LSTAYTZOBREUSX-LJQANCHMSA-N 1 0 439.622 3.012 40 0 IGABRO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019220834 557498134 /nfs/dbraw/zinc/49/81/34/557498134.db2.gz PDTZOUQQAWYXDX-NFBKMPQASA-N 1 0 447.587 3.198 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019499558 557499675 /nfs/dbraw/zinc/49/96/75/557499675.db2.gz ACLDSYZLOSAKRV-NRFANRHFSA-N 1 0 437.592 3.003 40 0 IGABRO CCC[NH+]1CCN([C@H](c2nnnn2C2CCCC2)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000019503421 557500381 /nfs/dbraw/zinc/50/03/81/557500381.db2.gz OIXOFOQCCJMEHN-QHCPKHFHSA-N 1 0 449.603 3.309 40 0 IGABRO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2C)cc1 ZINC000224226115 557577576 /nfs/dbraw/zinc/57/75/76/557577576.db2.gz XJPXSIZKCOUXNS-UHFFFAOYSA-N 1 0 445.585 3.044 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224328922 557592445 /nfs/dbraw/zinc/59/24/45/557592445.db2.gz JAOBQDCMVZLATF-LJQANCHMSA-N 1 0 439.622 3.012 40 0 IGABRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1N(C)S(C)(=O)=O ZINC000224533657 557617475 /nfs/dbraw/zinc/61/74/75/557617475.db2.gz YEWVKDWZEHDSEJ-UHFFFAOYSA-N 1 0 429.586 3.307 40 0 IGABRO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000224631327 557633556 /nfs/dbraw/zinc/63/35/56/557633556.db2.gz KRUNFMBBWQFTFY-OAQYLSRUSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c(C)c1 ZINC000224653019 557636241 /nfs/dbraw/zinc/63/62/41/557636241.db2.gz IOZWMDJNQKCIFP-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224665636 557638131 /nfs/dbraw/zinc/63/81/31/557638131.db2.gz NQDQEXCQWDVEPH-SFHVURJKSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000224775580 557650321 /nfs/dbraw/zinc/65/03/21/557650321.db2.gz KAXUVWHMXPATEQ-UHFFFAOYSA-N 1 0 441.597 3.305 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224946413 557670058 /nfs/dbraw/zinc/67/00/58/557670058.db2.gz DNCRMYORRMWTKF-GOSISDBHSA-N 1 0 427.586 3.143 40 0 IGABRO Cc1cc(C)n(CCOc2ccc(CN3CC[C@](O)(C[NH+]4CCC(F)(F)CC4)C3)cc2)n1 ZINC000585271238 568617552 /nfs/dbraw/zinc/61/75/52/568617552.db2.gz UYXFKATVGMQGAX-QHCPKHFHSA-N 1 0 448.558 3.247 40 0 IGABRO Cc1cccc(OC[C@@]2(O)C[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 ZINC000585288126 568619350 /nfs/dbraw/zinc/61/93/50/568619350.db2.gz XCRCDEBIQAMMJM-MNPUUQGPSA-N 1 0 425.569 3.260 40 0 IGABRO Cc1cccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1 ZINC000260899825 568628063 /nfs/dbraw/zinc/62/80/63/568628063.db2.gz QFGVJAUAPQIOSG-HXUWFJFHSA-N 1 0 443.613 3.452 40 0 IGABRO CC(=O)NCCCCCC(=O)N1C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]2C[NH2+]CC[C@H]21 ZINC000257216927 568672948 /nfs/dbraw/zinc/67/29/48/568672948.db2.gz CWSJDKRQWKMHHP-VAMGGRTRSA-N 1 0 425.495 3.306 40 0 IGABRO Cc1nc(N)cc([C@]2(C)CCCN(C(=O)C3(Cc4ccccc4F)CC[NH+](C)CC3)C2)n1 ZINC000257251991 568689697 /nfs/dbraw/zinc/68/96/97/568689697.db2.gz JTDTZIOHOBRUDC-XMMPIXPASA-N 1 0 439.579 3.341 40 0 IGABRO CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)C4CC[NH+](C(C)C)CC4)CCO3)n2)s1 ZINC000257263640 568695011 /nfs/dbraw/zinc/69/50/11/568695011.db2.gz LQVGFUUIHAZCQO-SFHVURJKSA-N 1 0 444.605 3.259 40 0 IGABRO Cc1nc2cc(C(=O)N3CCC[C@@H](CC(=O)N4CC[NH+](C5CCCC5)CC4)C3)ccc2[nH]1 ZINC000257285168 568704532 /nfs/dbraw/zinc/70/45/32/568704532.db2.gz PFYIXNOTWRXCHF-IBGZPJMESA-N 1 0 437.588 3.200 40 0 IGABRO c1cn2nc(C[C@@H]3COCC[N@@H+](Cc4ccccc4OCc4cccnc4)C3)ccc2n1 ZINC000257287555 568705635 /nfs/dbraw/zinc/70/56/35/568705635.db2.gz PQLOQPMBBUMVOP-NRFANRHFSA-N 1 0 429.524 3.394 40 0 IGABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3C(=O)CCC[NH+]2CCCC2)cc1 ZINC000257295904 568709183 /nfs/dbraw/zinc/70/91/83/568709183.db2.gz RAJBFLCOBBIPDI-PKTZIBPZSA-N 1 0 427.589 3.443 40 0 IGABRO C[C@@H]1CCC[N@H+](CC(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)C1 ZINC000257312182 568716531 /nfs/dbraw/zinc/71/65/31/568716531.db2.gz UMTWMCMJOJHRDW-LJQANCHMSA-N 1 0 449.599 3.046 40 0 IGABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(S(=O)(=O)c4cnn(C)c4C)C3)c2)cc1 ZINC000257338668 568728026 /nfs/dbraw/zinc/72/80/26/568728026.db2.gz YYKLGYLUMGGCPR-KRWDZBQOSA-N 1 0 441.557 3.362 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306123278 568762558 /nfs/dbraw/zinc/76/25/58/568762558.db2.gz AIZCZRLDBGEELL-UKILVPOCSA-N 1 0 432.499 3.013 40 0 IGABRO COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccoc3)CC2)C1 ZINC000306127410 568764703 /nfs/dbraw/zinc/76/47/03/568764703.db2.gz FYDLQHSPRXZHKG-UHFFFAOYSA-N 1 0 425.464 3.251 40 0 IGABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129387 568765741 /nfs/dbraw/zinc/76/57/41/568765741.db2.gz IBSSISUPRXXHKY-AHKZPQOWSA-N 1 0 442.563 3.491 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccccc4Cl)C[C@@H]2C3)cc1 ZINC000306132478 568767400 /nfs/dbraw/zinc/76/74/00/568767400.db2.gz LKOVDSZOURIXNM-DLBZAZTESA-N 1 0 437.931 3.497 40 0 IGABRO Cc1cccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306139777 568771363 /nfs/dbraw/zinc/77/13/63/568771363.db2.gz UAIIENFLMILDFB-AHWVRZQESA-N 1 0 428.536 3.182 40 0 IGABRO COc1ccc(Cl)cc1N1C(=O)[C@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@@H]23)C1O ZINC000101347266 568782158 /nfs/dbraw/zinc/78/21/58/568782158.db2.gz HTVROKSUZNDXQZ-OBZTUIKSSA-N 1 0 442.874 3.323 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328986453 568808567 /nfs/dbraw/zinc/80/85/67/568808567.db2.gz HYQBBCPQQYWNPB-UHFFFAOYSA-N 1 0 446.477 3.257 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2Br)cc(-c2cccnc2)n1 ZINC000328986334 568808664 /nfs/dbraw/zinc/80/86/64/568808664.db2.gz HXJZYCBUZSEHST-UHFFFAOYSA-N 1 0 427.350 3.252 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2ccccc2Br)cc(-c2ccncc2)n1 ZINC000329008115 568808964 /nfs/dbraw/zinc/80/89/64/568808964.db2.gz LPMFFULYICYORV-UHFFFAOYSA-N 1 0 441.377 3.121 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2Br)cc(-c2cccnc2)n1 ZINC000329018396 568809462 /nfs/dbraw/zinc/80/94/62/568809462.db2.gz NRLAXEAZFFTUEN-UHFFFAOYSA-N 1 0 431.313 3.001 40 0 IGABRO Cc1c(Br)cccc1Nc1cc(-c2ccccn2)nc(NCC[NH+](C)C)n1 ZINC000329072440 568811447 /nfs/dbraw/zinc/81/14/47/568811447.db2.gz ZYARDCKKHFAIGT-UHFFFAOYSA-N 1 0 427.350 3.170 40 0 IGABRO O=C(CCc1nc(-c2ccncc2)no1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199213 568921930 /nfs/dbraw/zinc/92/19/30/568921930.db2.gz WQOFROOHJBTXFK-XARGGIHNSA-N 1 0 433.556 3.486 40 0 IGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102535 569177284 /nfs/dbraw/zinc/17/72/84/569177284.db2.gz MWPMSHAXOHRZSG-FYHVMQNLSA-N 1 0 439.596 3.341 40 0 IGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC1)O2 ZINC000019498015 569226824 /nfs/dbraw/zinc/22/68/24/569226824.db2.gz HAKFMMFVEYQFHK-KNXBSLHKSA-N 1 0 425.525 3.403 40 0 IGABRO C[C@@H](C(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC000019700323 569231173 /nfs/dbraw/zinc/23/11/73/569231173.db2.gz NKDRFNXBVBIBRB-NRFANRHFSA-N 1 0 448.611 3.472 40 0 IGABRO C[NH+](C)CCCNc1nc(-c2ccccc2)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000328982812 569582856 /nfs/dbraw/zinc/58/28/56/569582856.db2.gz HCMWJEMAOASLDN-UHFFFAOYSA-N 1 0 441.561 3.715 40 0 IGABRO COc1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4C(=O)NCc3ccc(F)cc3)nn2)cc1 ZINC000008299342 291358050 /nfs/dbraw/zinc/35/80/50/291358050.db2.gz UGVLHIYVJVVPAT-WPYKKVEZSA-N 1 0 449.530 3.120 40 0 biogenic,in-vitro IGABRO COc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCC[NH+](C)C)C[C@H]2C(C)C)cc1 ZINC000030880339 291358166 /nfs/dbraw/zinc/35/81/66/291358166.db2.gz OIEWQGAYPLQHQQ-FUDKSRODSA-N 1 0 429.605 3.348 40 0 biogenic,in-vitro IGABRO O[C@@H]1CCN(Cc2nc(C3(O)CCN(Cc4ccccc4C(F)(F)F)CC3)cs2)C1 ZINC000225465421 291363927 /nfs/dbraw/zinc/36/39/27/291363927.db2.gz OUAANEHAYCRHHA-MRXNPFEDSA-N 1 0 441.519 3.212 40 0 biogenic,in-vitro IGABRO Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000006177870 193888288 /nfs/dbraw/zinc/88/82/88/193888288.db2.gz WLNSOZBYNABVHJ-UHFFFAOYSA-N 1 0 437.613 3.368 40 0 IGABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)C1 ZINC000022524851 524234192 /nfs/dbraw/zinc/23/41/92/524234192.db2.gz RDRNQQHPLYPSPL-HXUWFJFHSA-N 1 0 441.597 3.065 40 0 IGABRO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NCc1ccc2c(c1)OCO2 ZINC000035311122 525051565 /nfs/dbraw/zinc/05/15/65/525051565.db2.gz XKEDMHHPWJRNHC-SEJPIABJSA-N 1 0 449.551 3.155 40 0 IGABRO O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000041689924 526284183 /nfs/dbraw/zinc/28/41/83/526284183.db2.gz CCRQVWQNKNZSMT-AVZNFENQSA-N 1 0 428.617 3.167 40 0 IGABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 ZINC000408572267 555916026 /nfs/dbraw/zinc/91/60/26/555916026.db2.gz HULIXJWWBHJUCL-UHFFFAOYSA-N 1 0 446.960 3.005 40 0 IGABRO NC(=O)COc1c(Br)cc(C[NH2+]Cc2ccccc2)cc1Br ZINC000036612898 556511513 /nfs/dbraw/zinc/51/15/13/556511513.db2.gz LCMVCYQDOJITIV-UHFFFAOYSA-N 1 0 428.124 3.366 40 0 IGABRO COc1ccc2c3c1O[C@]1(C)[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@]1(OC)c1c(O)ccc(O)c12 ZINC000033749046 556567353 /nfs/dbraw/zinc/56/73/53/556567353.db2.gz QMJLOWCMXXVLQW-XVUMDKAKSA-N 1 0 433.504 3.119 40 0 biogenic,in-vitro IGABRO [NH3+][C@@H](Cc1ccccc1)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000033989305 556570452 /nfs/dbraw/zinc/57/04/52/556570452.db2.gz HBPTXDXGWDVDON-KSEOMHKRSA-N 1 0 425.554 3.302 40 0 IGABRO O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038831115 556621832 /nfs/dbraw/zinc/62/18/32/556621832.db2.gz HGQQPJFDGUWNDN-QHCPKHFHSA-N 1 0 425.548 3.186 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000044838668 556668177 /nfs/dbraw/zinc/66/81/77/556668177.db2.gz AZEMUHINBWOPGI-JOCHJYFZSA-N 1 0 435.634 3.387 40 0 IGABRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000044874393 556673619 /nfs/dbraw/zinc/67/36/19/556673619.db2.gz FXXQOSPSMTYFOC-GOSISDBHSA-N 1 0 447.576 3.283 40 0 IGABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)C1 ZINC000044902063 556678120 /nfs/dbraw/zinc/67/81/20/556678120.db2.gz PRVHUJNHUUWZFW-WOJBJXKFSA-N 1 0 435.634 3.100 40 0 IGABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125195 556703208 /nfs/dbraw/zinc/70/32/08/556703208.db2.gz ZESWEVRIIIUSCH-LEWJYISDSA-N 1 0 425.525 3.459 40 0 IGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000019293846 556733278 /nfs/dbraw/zinc/73/32/78/556733278.db2.gz MEQNRTKQTRVHOE-QFIPXVFZSA-N 1 0 436.535 3.409 40 0 IGABRO O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)C1 ZINC000019343159 556741044 /nfs/dbraw/zinc/74/10/44/556741044.db2.gz VVCCBLJDDYFMTF-MRXNPFEDSA-N 1 0 426.586 3.081 40 0 IGABRO O=C([C@H]1CC=CCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343602 556741307 /nfs/dbraw/zinc/74/13/07/556741307.db2.gz DQOYQWZNYMWPOF-ROUUACIJSA-N 1 0 438.597 3.452 40 0 IGABRO COc1cccc2c1cc(C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[nH]1)CC[N@@H+](C(C)C)C3)n2C ZINC000019448397 556757907 /nfs/dbraw/zinc/75/79/07/556757907.db2.gz MMSVXCUHRCQCTN-HXUWFJFHSA-N 1 0 449.555 3.426 40 0 IGABRO CCn1c(C)c(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)COCCC(=O)N3)c2cc(OC)ccc21 ZINC000019523872 556781094 /nfs/dbraw/zinc/78/10/94/556781094.db2.gz BRJIIUWEUCXGKJ-OZXSUGGESA-N 1 0 448.567 3.248 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552263 556795929 /nfs/dbraw/zinc/79/59/29/556795929.db2.gz JDYYAKIGKVZYAJ-RPVQJOFSSA-N 1 0 425.455 3.495 40 0 IGABRO COc1cccc2ccc(C[NH+]3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)nc21 ZINC000019568421 556808554 /nfs/dbraw/zinc/80/85/54/556808554.db2.gz WURWJTHLFINQIY-QHCPKHFHSA-N 1 0 438.553 3.186 40 0 IGABRO Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C(C)C)CC2 ZINC000019571534 556811515 /nfs/dbraw/zinc/81/15/15/556811515.db2.gz QJXPFKSXBCESKQ-LJQANCHMSA-N 1 0 448.564 3.312 40 0 IGABRO CN(C)c1ncc(C[NH+]2CCC([C@@H]3CC=CCN(CCc4ccccc4)C3=O)CC2)cn1 ZINC000019698518 556856916 /nfs/dbraw/zinc/85/69/16/556856916.db2.gz FFNDYCMBUDAUJJ-DEOSSOPVSA-N 1 0 433.600 3.402 40 0 IGABRO CN(Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(N)=O)cc1)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000019698769 556857761 /nfs/dbraw/zinc/85/77/61/556857761.db2.gz PLXPTMZXVFTIAF-YADHBBJMSA-N 1 0 448.592 3.142 40 0 IGABRO CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)C[N@@H+]4CCCC[C@H]4C)CC3)nc21 ZINC000019739507 556878149 /nfs/dbraw/zinc/87/81/49/556878149.db2.gz YQFMCSGISNYOGA-QGZVFWFLSA-N 1 0 427.593 3.055 40 0 IGABRO Cc1nc([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019740776 556881705 /nfs/dbraw/zinc/88/17/05/556881705.db2.gz BJVKGXVLYGCTJZ-NRFANRHFSA-N 1 0 433.556 3.024 40 0 IGABRO CN(C)c1ncccc1C[N@@H+]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019761710 556905279 /nfs/dbraw/zinc/90/52/79/556905279.db2.gz UMBXFHPSJFEXID-IBGZPJMESA-N 1 0 445.567 3.158 40 0 IGABRO Cc1nc(C2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019766534 556911680 /nfs/dbraw/zinc/91/16/80/556911680.db2.gz WVNGZGWEGKDGMT-UHFFFAOYSA-N 1 0 438.572 3.424 40 0 IGABRO C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)NCCS(=O)(=O)NC2CCCCC2)C1 ZINC000072352565 556924495 /nfs/dbraw/zinc/92/44/95/556924495.db2.gz USMFRGBOBJAPOE-MRXNPFEDSA-N 1 0 449.642 3.302 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)c1 ZINC000409060612 556937552 /nfs/dbraw/zinc/93/75/52/556937552.db2.gz VHVVXNQZGXJIHG-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 ZINC000072371159 556937531 /nfs/dbraw/zinc/93/75/31/556937531.db2.gz AVMLOMQWLUGFEV-UHFFFAOYSA-N 1 0 449.599 3.312 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409054760 556938598 /nfs/dbraw/zinc/93/85/98/556938598.db2.gz NPNQVWFIMJNFOP-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409068052 556942557 /nfs/dbraw/zinc/94/25/57/556942557.db2.gz JXGXPBMDHJJPSV-VNGKGULCSA-O 1 0 432.475 3.159 40 0 IGABRO CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2c(nc(C3CC[NH+](C)CC3)nc2NC)C1 ZINC000072372418 556942885 /nfs/dbraw/zinc/94/28/85/556942885.db2.gz UILKFUKSFFVDDE-HXUWFJFHSA-N 1 0 441.551 3.209 40 0 IGABRO COc1ccc([C@@H](CNc2cc(Cn3ncc4ccccc4c3=O)nc(C)n2)[NH+](C)C)cc1 ZINC000072373219 556945739 /nfs/dbraw/zinc/94/57/39/556945739.db2.gz LLDWOLRITAGEEE-HSZRJFAPSA-N 1 0 444.539 3.267 40 0 IGABRO COc1cc(C[NH+]2CCC(c3ccc(Nc4ccccn4)cn3)CC2)ccc1OCC(N)=O ZINC000072374319 556947657 /nfs/dbraw/zinc/94/76/57/556947657.db2.gz OJDMENMHAOJLSX-UHFFFAOYSA-N 1 0 447.539 3.473 40 0 IGABRO CC(=O)N1CCc2c(nc([C@H]3CCC[N@H+](C)C3)nc2N(C)Cc2ccc3ncccc3c2)C1 ZINC000072376535 556955125 /nfs/dbraw/zinc/95/51/25/556955125.db2.gz OEPFLLYQJRVGOL-NRFANRHFSA-N 1 0 444.583 3.375 40 0 IGABRO Cc1cccnc1C[NH+]1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)CC1 ZINC000072398988 556971111 /nfs/dbraw/zinc/97/11/11/556971111.db2.gz WJBXQACVCWUGCZ-UHFFFAOYSA-N 1 0 449.580 3.113 40 0 IGABRO COCCC(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000072399201 556971801 /nfs/dbraw/zinc/97/18/01/556971801.db2.gz DPWKUFAVZKRMKO-NRFANRHFSA-N 1 0 444.620 3.272 40 0 IGABRO Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1 ZINC000585104902 557037956 /nfs/dbraw/zinc/03/79/56/557037956.db2.gz WKOPKBUHUKWKMB-MQSCRBSSSA-N 1 0 430.589 3.007 40 0 IGABRO CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000585106329 557039974 /nfs/dbraw/zinc/03/99/74/557039974.db2.gz VCEFGKFELZEFAZ-LZQZEXGQSA-N 1 0 433.980 3.190 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NC[C@H]1CCCO1 ZINC000006193264 557148123 /nfs/dbraw/zinc/14/81/23/557148123.db2.gz KWKOGRJJWLPWKA-HXUWFJFHSA-N 1 0 444.645 3.342 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=S)NC[C@@H]1CCCO1 ZINC000006193296 557148479 /nfs/dbraw/zinc/14/84/79/557148479.db2.gz BPEGWRWVSRTFCO-NRFANRHFSA-N 1 0 444.645 3.342 40 0 IGABRO CCc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000006197730 557149423 /nfs/dbraw/zinc/14/94/23/557149423.db2.gz ITBDMULKWBQFJT-NRFANRHFSA-N 1 0 444.645 3.288 40 0 IGABRO COc1ccc2cc(CN(Cc3ccccc3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000006198547 557150381 /nfs/dbraw/zinc/15/03/81/557150381.db2.gz BAWITTSTIQNRII-UHFFFAOYSA-N 1 0 438.597 3.365 40 0 IGABRO COCCN1CC2(CC[NH+](Cc3cccs3)CC2)COc2ccccc2S1(=O)=O ZINC000096037171 557164219 /nfs/dbraw/zinc/16/42/19/557164219.db2.gz FHLZWOOILNVESU-UHFFFAOYSA-N 1 0 436.599 3.060 40 0 IGABRO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccsc1)CCC2 ZINC000096056087 557166853 /nfs/dbraw/zinc/16/68/53/557166853.db2.gz JHXSMTFCSHWMGV-XXBNENTESA-N 1 0 427.570 3.369 40 0 IGABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccc(OC)cc1)CC3 ZINC000096143890 557171435 /nfs/dbraw/zinc/17/14/35/557171435.db2.gz MMLUFGAJQPDNBS-BKMJKUGQSA-N 1 0 439.600 3.272 40 0 IGABRO CCC(CC)C(=O)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCN(CC)C3=O)CC1 ZINC000096144403 557172380 /nfs/dbraw/zinc/17/23/80/557172380.db2.gz LGEVULHFWBVYTF-RUZDIDTESA-N 1 0 426.605 3.181 40 0 IGABRO COc1ccc(CN2C[C@H]3CC[N@H+](Cc4cccc(OC)c4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145399 557174721 /nfs/dbraw/zinc/17/47/21/557174721.db2.gz ZDNHQQDUXHCLFB-NFBKMPQASA-N 1 0 430.570 3.130 40 0 IGABRO O=C(NCCc1cccnc1)c1ccc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000096267511 557193135 /nfs/dbraw/zinc/19/31/35/557193135.db2.gz ZTCQUNLWNGPDKW-OAQYLSRUSA-N 1 0 426.524 3.086 40 0 IGABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cccnc1 ZINC000585262446 557202232 /nfs/dbraw/zinc/20/22/32/557202232.db2.gz OIILKNGFXAZQBW-LWSSLDFYSA-N 1 0 435.499 3.032 40 0 IGABRO CCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](CCc4cccs4)CC3)C2=O)cc1 ZINC000096900164 557205962 /nfs/dbraw/zinc/20/59/62/557205962.db2.gz BDTCLIVHPGCTFV-NRFANRHFSA-N 1 0 427.570 3.029 40 0 IGABRO C[N@@H+](Cc1ccc(OCCCO)cc1)C[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000585269792 557213754 /nfs/dbraw/zinc/21/37/54/557213754.db2.gz JOCOOAFAYWYGKA-KRWDZBQOSA-N 1 0 437.462 3.309 40 0 IGABRO CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CC[NH+](C)CC1 ZINC000219480071 557252986 /nfs/dbraw/zinc/25/29/86/557252986.db2.gz PTSVMNRJNNDWKY-UHFFFAOYSA-N 1 0 427.570 3.196 40 0 IGABRO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1 ZINC000057671011 557256839 /nfs/dbraw/zinc/25/68/39/557256839.db2.gz FDQPXONIZUKKOP-QFIPXVFZSA-N 1 0 436.560 3.402 40 0 IGABRO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000057774122 557264078 /nfs/dbraw/zinc/26/40/78/557264078.db2.gz JHIJIEKNFRRMCY-UUOWRZLLSA-N 1 0 427.545 3.205 40 0 IGABRO [NH3+][C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cncnc3)n2)CC1 ZINC000100708802 557270683 /nfs/dbraw/zinc/27/06/83/557270683.db2.gz QRKHCLUXEGXIEH-LVCYWYKZSA-N 1 0 449.534 3.109 40 0 IGABRO COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000022929801 557274218 /nfs/dbraw/zinc/27/42/18/557274218.db2.gz SCJFQVGXIRFFOK-QFIPXVFZSA-N 1 0 438.601 3.441 40 0 IGABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1cccnc1 ZINC000223256637 557451574 /nfs/dbraw/zinc/45/15/74/557451574.db2.gz OISSWFRBHRPMIA-GOTSBHOMSA-N 1 0 434.613 3.477 40 0 IGABRO COc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000019559932 557500525 /nfs/dbraw/zinc/50/05/25/557500525.db2.gz QYDVVOABLIUWCE-HSZRJFAPSA-N 1 0 440.592 3.455 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000019527965 557501735 /nfs/dbraw/zinc/50/17/35/557501735.db2.gz DTLVKZDVZZSFSR-HSZRJFAPSA-N 1 0 449.603 3.364 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019527929 557501789 /nfs/dbraw/zinc/50/17/89/557501789.db2.gz NQAVLSODTWVEPA-HSZRJFAPSA-N 1 0 449.603 3.364 40 0 IGABRO Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)c1 ZINC000224138477 557565600 /nfs/dbraw/zinc/56/56/00/557565600.db2.gz WICUYUKBTJXYFG-UHFFFAOYSA-N 1 0 429.586 3.426 40 0 IGABRO Cc1ccccc1N(CCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000224511923 557614786 /nfs/dbraw/zinc/61/47/86/557614786.db2.gz ADIZHTJNWQFDCM-UHFFFAOYSA-N 1 0 443.613 3.453 40 0 IGABRO Cc1c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cccc1N(C)S(C)(=O)=O ZINC000224694451 557641257 /nfs/dbraw/zinc/64/12/57/557641257.db2.gz HJWZXTKKAGNKOB-UHFFFAOYSA-N 1 0 429.586 3.307 40 0 IGABRO CN(c1ccc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1)S(C)(=O)=O ZINC000224799122 557652454 /nfs/dbraw/zinc/65/24/54/557652454.db2.gz KYEGHFDKYYDGCN-UHFFFAOYSA-N 1 0 435.977 3.262 40 0 IGABRO Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000225766715 557774776 /nfs/dbraw/zinc/77/47/76/557774776.db2.gz ZLVRVJOCSSHIOW-UHFFFAOYSA-N 1 0 443.613 3.485 40 0 IGABRO CCc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1 ZINC000260890764 568627633 /nfs/dbraw/zinc/62/76/33/568627633.db2.gz RSRNBGLCNGRWRL-LJQANCHMSA-N 1 0 443.613 3.316 40 0 IGABRO C[NH+](C)CCCOc1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO ZINC000257216383 568672684 /nfs/dbraw/zinc/67/26/84/568672684.db2.gz CUIICGTXBUNBHY-MFLQQMQESA-N 1 0 444.616 3.398 40 0 IGABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000257223460 568675822 /nfs/dbraw/zinc/67/58/22/568675822.db2.gz DXLHWIRWAQYGSP-SFTDATJTSA-N 1 0 437.588 3.262 40 0 IGABRO C[N@H+](CCC(=O)N1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12)Cc1ccccn1 ZINC000257248142 568687524 /nfs/dbraw/zinc/68/75/24/568687524.db2.gz JCHCDPVEINTWHO-UMFSSWHCSA-N 1 0 434.584 3.175 40 0 IGABRO CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1)C1CCCCC1 ZINC000257248045 568687621 /nfs/dbraw/zinc/68/76/21/568687621.db2.gz JBUGEMIXPGUMEC-IBGZPJMESA-N 1 0 429.609 3.396 40 0 IGABRO COc1ccc(NC(=O)CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)[C@@H](O)C2)cc1Cl ZINC000257250223 568688791 /nfs/dbraw/zinc/68/87/91/568688791.db2.gz JLPNPXUQYLWJIM-UPVQGACJSA-N 1 0 443.975 3.389 40 0 IGABRO CNc1nc([C@H]2CC[N@H+](Cc3c(C)cc(OC)c(C)c3C)C2)nc2c1CCN(C(C)=O)C2 ZINC000257275460 568699990 /nfs/dbraw/zinc/69/99/90/568699990.db2.gz NPMRVVJTLYFTAV-IBGZPJMESA-N 1 0 437.588 3.346 40 0 IGABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)c2)c1 ZINC000257336413 568727089 /nfs/dbraw/zinc/72/70/89/568727089.db2.gz YOHPHJDORGZWAR-KRWDZBQOSA-N 1 0 441.557 3.444 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1cccc(F)c1)C[C@@H]2c1cccnc1 ZINC000306123276 568762508 /nfs/dbraw/zinc/76/25/08/568762508.db2.gz AIZCZRLDBGEELL-ILBGXUMGSA-N 1 0 432.499 3.013 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]2C3)cc1 ZINC000306123530 568762802 /nfs/dbraw/zinc/76/28/02/568762802.db2.gz APMOHXDHJZWFFQ-IRXDYDNUSA-N 1 0 437.931 3.497 40 0 IGABRO COc1cccc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128613 568765470 /nfs/dbraw/zinc/76/54/70/568765470.db2.gz HGDYZSZXUDCTPX-XNMGPUDCSA-N 1 0 443.547 3.487 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccccc4Cl)C[C@H]2C3)cc1 ZINC000306132481 568767460 /nfs/dbraw/zinc/76/74/60/568767460.db2.gz LKOVDSZOURIXNM-SJORKVTESA-N 1 0 437.931 3.497 40 0 IGABRO Cc1ccc(CNC(=O)[C@@H]2CCc3nnc(C4CC[NH+](Cc5cccnc5)CC4)n3C2)cc1 ZINC000306133419 568767973 /nfs/dbraw/zinc/76/79/73/568767973.db2.gz MKROQYIJBCEBKN-HSZRJFAPSA-N 1 0 444.583 3.240 40 0 IGABRO CCn1cc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000306143794 568773347 /nfs/dbraw/zinc/77/33/47/568773347.db2.gz YMMXJJSZLNRZDI-RDGATRHJSA-N 1 0 447.587 3.094 40 0 IGABRO CCn1cc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000306143793 568773356 /nfs/dbraw/zinc/77/33/56/568773356.db2.gz YMMXJJSZLNRZDI-RCZVLFRGSA-N 1 0 447.587 3.094 40 0 IGABRO CCc1ccc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@H]3C2)cc1 ZINC000306143611 568773366 /nfs/dbraw/zinc/77/33/66/568773366.db2.gz YGUBNFUUUQXPQC-VQTJNVASSA-N 1 0 431.540 3.406 40 0 IGABRO C[NH+]1CCN(CCCNC(=O)c2nc(-c3ccn(C4CCCC4)c3)n3ccccc23)CC1 ZINC000306144607 568773976 /nfs/dbraw/zinc/77/39/76/568773976.db2.gz ZKCJOVYKSPONDF-UHFFFAOYSA-N 1 0 434.588 3.285 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328987615 568808675 /nfs/dbraw/zinc/80/86/75/568808675.db2.gz IBSKGNJQKOTTAR-UHFFFAOYSA-N 1 0 435.450 3.455 40 0 IGABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000016022190 568863789 /nfs/dbraw/zinc/86/37/89/568863789.db2.gz NUXASOIAYFNQAH-XOOURAJSSA-N 1 0 437.927 3.102 40 0 IGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242539044 568885407 /nfs/dbraw/zinc/88/54/07/568885407.db2.gz JMWUNQBVJMMLDY-YQVWRLOYSA-N 1 0 428.337 3.441 40 0 IGABRO Cc1nn2cnnc2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198517 568921724 /nfs/dbraw/zinc/92/17/24/568921724.db2.gz BFAURSZAVUNUMG-IKJKNFHUSA-N 1 0 434.588 3.095 40 0 IGABRO O=C(CCc1nc(-c2ccncc2)no1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199211 568921874 /nfs/dbraw/zinc/92/18/74/568921874.db2.gz WQOFROOHJBTXFK-FBHSLPMESA-N 1 0 433.556 3.486 40 0 IGABRO Cc1cccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2nc(C[NH+](C)C)cc(N(C)C)n2)c1 ZINC000019760772 569237762 /nfs/dbraw/zinc/23/77/62/569237762.db2.gz WLBNKPCVOWSFJP-HXUWFJFHSA-N 1 0 425.577 3.434 40 0 IGABRO Cc1noc(C)c1COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1 ZINC000019763687 569238040 /nfs/dbraw/zinc/23/80/40/569238040.db2.gz OMLTYISUNYSEOJ-LJQANCHMSA-N 1 0 435.528 3.447 40 0 IGABRO Cc1noc(C)c1COc1ccc(C[NH+]2CCC(c3ncc(C(N)=O)c(C)n3)CC2)cc1 ZINC000019766643 569239460 /nfs/dbraw/zinc/23/94/60/569239460.db2.gz CXGSBNRWHQXELL-UHFFFAOYSA-N 1 0 435.528 3.447 40 0 IGABRO Cc1ccc([C@@H](C[NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)N2CCOCC2)cc1 ZINC000028617001 569414739 /nfs/dbraw/zinc/41/47/39/569414739.db2.gz GSGJOMOXEKTJPF-HXUWFJFHSA-N 1 0 439.478 3.142 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218658298 569458966 /nfs/dbraw/zinc/45/89/66/569458966.db2.gz XNGNUZWPYJRASA-NNMXDRDESA-N 1 0 434.533 3.296 40 0 IGABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000006196618 193890895 /nfs/dbraw/zinc/89/08/95/193890895.db2.gz IOARFZMMGMWQDA-UHFFFAOYSA-N 1 0 438.597 3.365 40 0 IGABRO CCOc1ccccc1C[NH+]1CCC(O)(Cn2nc(-c3cccs3)ccc2=O)CC1 ZINC000012276005 521481404 /nfs/dbraw/zinc/48/14/04/521481404.db2.gz OTWLXVGZHDMHGJ-UHFFFAOYSA-N 1 0 425.554 3.398 40 0 IGABRO CC[NH+]1CCC(CC(=O)N[C@@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)CC1 ZINC000072345795 521544638 /nfs/dbraw/zinc/54/46/38/521544638.db2.gz WFSUGUIPAGVCKD-JOCHJYFZSA-N 1 0 433.618 3.133 40 0 IGABRO COc1ccc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1OC ZINC000012186604 524024243 /nfs/dbraw/zinc/02/42/43/524024243.db2.gz UXAKBDTUVWUUSZ-UHFFFAOYSA-N 1 0 441.553 3.016 40 0 IGABRO C[C@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000012466095 525011381 /nfs/dbraw/zinc/01/13/81/525011381.db2.gz ZKLSTLYBTHUDFT-SCPSAXBQSA-N 1 0 437.499 3.226 40 0 IGABRO CC(=O)N[C@H](C)c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000036719502 556309759 /nfs/dbraw/zinc/30/97/59/556309759.db2.gz BWLDJMQUHANBJD-XARZLDAJSA-N 1 0 442.531 3.407 40 0 IGABRO O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039758349 556441636 /nfs/dbraw/zinc/44/16/36/556441636.db2.gz XMBKACJBQUTXRG-UHFFFAOYSA-N 1 0 427.570 3.322 40 0 IGABRO CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc21 ZINC000015360804 556523387 /nfs/dbraw/zinc/52/33/87/556523387.db2.gz YRSFHCSNDFRIGB-UHFFFAOYSA-N 1 0 427.570 3.060 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccc(C)cc2C)cc1 ZINC000013667525 556548625 /nfs/dbraw/zinc/54/86/25/556548625.db2.gz ZYIXPUCABYAGSG-UHFFFAOYSA-N 1 0 443.613 3.409 40 0 IGABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013669216 556549731 /nfs/dbraw/zinc/54/97/31/556549731.db2.gz GRFGYDMHEZKHOG-UHFFFAOYSA-N 1 0 443.613 3.491 40 0 IGABRO Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044871574 556673162 /nfs/dbraw/zinc/67/31/62/556673162.db2.gz HTHISIYFYBCFBR-IBGZPJMESA-N 1 0 429.586 3.062 40 0 IGABRO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000044871915 556673348 /nfs/dbraw/zinc/67/33/48/556673348.db2.gz XARBSOOMLDDEFR-UHFFFAOYSA-N 1 0 441.597 3.305 40 0 IGABRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000044873895 556673632 /nfs/dbraw/zinc/67/36/32/556673632.db2.gz PPOGDUBDGJZEKI-IBGZPJMESA-N 1 0 429.586 3.143 40 0 IGABRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000044874388 556673694 /nfs/dbraw/zinc/67/36/94/556673694.db2.gz FXXQOSPSMTYFOC-SFHVURJKSA-N 1 0 447.576 3.283 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000044902755 556678546 /nfs/dbraw/zinc/67/85/46/556678546.db2.gz QFIUZVFPZKYXKH-HSZRJFAPSA-N 1 0 449.661 3.308 40 0 IGABRO CCOc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000257250065 556711435 /nfs/dbraw/zinc/71/14/35/556711435.db2.gz JKVSWQKQXBLIDL-HXUWFJFHSA-N 1 0 425.529 3.270 40 0 IGABRO COc1ccc(CNC(=O)C[NH+]2CCC(COc3ccc(C)cc3C)(OC)CC2)cc1 ZINC000257255092 556712003 /nfs/dbraw/zinc/71/20/03/556712003.db2.gz KGBRXESZSLDTHI-UHFFFAOYSA-N 1 0 426.557 3.488 40 0 IGABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000019345581 556742514 /nfs/dbraw/zinc/74/25/14/556742514.db2.gz OBRJYOPZUJSJTN-OALUTQOASA-N 1 0 431.916 3.495 40 0 IGABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](Cc4cccs4)C3)nc2C1 ZINC000019347699 556743597 /nfs/dbraw/zinc/74/35/97/556743597.db2.gz RKEGDRHQEQHFHQ-OAHLLOKOSA-N 1 0 438.528 3.159 40 0 IGABRO 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Cc1nn([C@H](C)CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556135 556799087 /nfs/dbraw/zinc/79/90/87/556799087.db2.gz LSKBLZOGCTWWSS-VFNWGFHPSA-N 1 0 440.592 3.385 40 0 IGABRO Cc1nc(C)c(CC(=O)N2CCC[C@H](c3cc(=O)[nH]c(C4CC[NH+](C)CC4)n3)C2)s1 ZINC000019560406 556801996 /nfs/dbraw/zinc/80/19/96/556801996.db2.gz UJYJUJWRJWWWIC-KRWDZBQOSA-N 1 0 429.590 3.013 40 0 IGABRO COc1cccc(CC(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)c1 ZINC000019582141 556819906 /nfs/dbraw/zinc/81/99/06/556819906.db2.gz XERQPDOGPPSIMQ-GOTSBHOMSA-N 1 0 437.584 3.054 40 0 IGABRO CN(C)c1ncc(C[NH+]2CCC([C@H]3CC=CCN(CCc4ccccc4)C3=O)CC2)cn1 ZINC000019698519 556856973 /nfs/dbraw/zinc/85/69/73/556856973.db2.gz FFNDYCMBUDAUJJ-XMMPIXPASA-N 1 0 433.600 3.402 40 0 IGABRO CN(C)c1ncc(C[NH+]2CCC([C@@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cn1 ZINC000019698516 556856980 /nfs/dbraw/zinc/85/69/80/556856980.db2.gz XTABXZIIQURIFV-QHCPKHFHSA-N 1 0 437.563 3.499 40 0 IGABRO CC(=O)NCc1ccc([C@H]2C[N@@H+](Cc3ccccc3N3CCCC3)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698730 556857715 /nfs/dbraw/zinc/85/77/15/556857715.db2.gz HFNFQLWGTVAWJL-RPBOFIJWSA-N 1 0 448.611 3.227 40 0 IGABRO CNc1nc(C2CC[NH+](Cc3cn(C)c4ccccc34)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019710805 556874343 /nfs/dbraw/zinc/87/43/43/556874343.db2.gz SHYGFLIONTXVRW-UHFFFAOYSA-N 1 0 432.572 3.294 40 0 IGABRO Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCC[N@H+](Cc4ccccc4)C3)nc2n(C)c1=O ZINC000019743483 556888302 /nfs/dbraw/zinc/88/83/02/556888302.db2.gz BCZLDESYCATRCT-HNNXBMFYSA-N 1 0 432.446 3.031 40 0 IGABRO CNc1nc([C@@H]2CCCCN2CC(=O)N(C(C)C)C2CCCCC2)nc2c1CC[NH2+]C2 ZINC000019754871 556898036 /nfs/dbraw/zinc/89/80/36/556898036.db2.gz YPMZEUXSHIKORX-NRFANRHFSA-N 1 0 428.625 3.261 40 0 IGABRO C[C@]12CC[C@H](C[C@@H]1C(=O)N1CC[NH+](C3CCCC3)CC1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326930 556903379 /nfs/dbraw/zinc/90/33/79/556903379.db2.gz FOHOCAOJWPUAJL-ZMSGYCMXSA-N 1 0 436.600 3.451 40 0 IGABRO 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COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 ZINC000409053714 556937809 /nfs/dbraw/zinc/93/78/09/556937809.db2.gz HHRQUJMFLCGFQQ-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409054753 556938244 /nfs/dbraw/zinc/93/82/44/556938244.db2.gz NPNQVWFIMJNFOP-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO CC[C@H](Oc1ccccc1F)C(=O)N1CCc2c(nc(C3CC[NH+](C)CC3)nc2NC)C1 ZINC000072372417 556942878 /nfs/dbraw/zinc/94/28/78/556942878.db2.gz UILKFUKSFFVDDE-FQEVSTJZSA-N 1 0 441.551 3.209 40 0 IGABRO Cn1ccnc1SCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373036 556945458 /nfs/dbraw/zinc/94/54/58/556945458.db2.gz UTHUZDSRCWURHQ-VXKWHMMOSA-N 1 0 448.592 3.260 40 0 IGABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1 ZINC000072394953 556966227 /nfs/dbraw/zinc/96/62/27/556966227.db2.gz IUKRCBTYOYTCNN-XZOQPEGZSA-N 1 0 425.548 3.184 40 0 IGABRO CCCC(=O)N1CCc2nc(C3CC[NH+](Cc4ccc(F)cc4F)CC3)[nH]c(=O)c2C1 ZINC000072398990 556971072 /nfs/dbraw/zinc/97/10/72/556971072.db2.gz KYSNWORDUYRJFD-UHFFFAOYSA-N 1 0 430.499 3.113 40 0 IGABRO Cc1cc(C[N@@H+]2CCc3nc(C4CCN(C(=O)c5ccccn5)CC4)[nH]c(=O)c3C2)cs1 ZINC000072398969 556971169 /nfs/dbraw/zinc/97/11/69/556971169.db2.gz UHQLLOYKUYZHGC-UHFFFAOYSA-N 1 0 449.580 3.113 40 0 IGABRO O=C(Cc1ccccc1)NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@H+]12 ZINC000585110071 557042491 /nfs/dbraw/zinc/04/24/91/557042491.db2.gz DYUWSEUNCOJLGU-DNQXCXABSA-N 1 0 440.547 3.434 40 0 IGABRO COc1ccc(N2C[C@H](C(=O)N3CCCC4=C[C@@H]5C[C@@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)CC2=O)cc1 ZINC000409413549 557109754 /nfs/dbraw/zinc/10/97/54/557109754.db2.gz CCDXVWLCRJJTAC-UHMWIQAVSA-N 1 0 449.595 3.470 40 0 IGABRO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)Nc2ccccc2)CC3)C1=O ZINC000096144104 557171689 /nfs/dbraw/zinc/17/16/89/557171689.db2.gz PYLWKPLTXKGDOD-AREMUKBSSA-N 1 0 447.583 3.450 40 0 IGABRO CCCc1ccc(C(=O)N2CCC3(C[N@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC2)cc1 ZINC000096144175 557171837 /nfs/dbraw/zinc/17/18/37/557171837.db2.gz VQKYWHJTUFOPNM-HHHXNRCGSA-N 1 0 446.595 3.279 40 0 IGABRO O=S(=O)(c1ccccc1)N1CCC2(CN(C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000096202416 557183032 /nfs/dbraw/zinc/18/30/32/557183032.db2.gz IBJHIYCZRSWXRR-UHFFFAOYSA-N 1 0 425.598 3.048 40 0 IGABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(c2cnn(C)c2)CCN3Cc2ccccc2)o1 ZINC000096230347 557184641 /nfs/dbraw/zinc/18/46/41/557184641.db2.gz JMMXJYLTAHZHNE-UHFFFAOYSA-N 1 0 433.556 3.205 40 0 IGABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](CC(=O)NCCOc3ccccc3)CC2)c1 ZINC000585274212 557218366 /nfs/dbraw/zinc/21/83/66/557218366.db2.gz UECXWWLBOWEWJR-XMMPIXPASA-N 1 0 446.975 3.439 40 0 IGABRO COCC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283129 557222326 /nfs/dbraw/zinc/22/23/26/557222326.db2.gz PXCUVOMHFNTQRQ-VWLOTQADSA-N 1 0 432.605 3.173 40 0 IGABRO CC(C)(C)c1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccc3C(F)(F)F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382155 557236739 /nfs/dbraw/zinc/23/67/39/557236739.db2.gz HXWPJXFTLYPZAL-HNBVOPMISA-N 1 0 437.506 3.483 40 0 biogenic,in-vitro IGABRO COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000022929150 557277599 /nfs/dbraw/zinc/27/75/99/557277599.db2.gz QBSMJBZQCJCNIT-XMMPIXPASA-N 1 0 432.572 3.380 40 0 IGABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(N4CCCCS4(=O)=O)cc3)cc2)CC1 ZINC000222593894 557358161 /nfs/dbraw/zinc/35/81/61/557358161.db2.gz PDQAFBQKAXOYQQ-UHFFFAOYSA-N 1 0 443.569 3.342 40 0 IGABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccncc1 ZINC000223256820 557451542 /nfs/dbraw/zinc/45/15/42/557451542.db2.gz MPUCZENGZXJUND-XZOQPEGZSA-N 1 0 434.613 3.477 40 0 IGABRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000100790466 557455375 /nfs/dbraw/zinc/45/53/75/557455375.db2.gz KTJKIOWZFACJIX-OQLXKQOESA-N 1 0 447.645 3.152 40 0 IGABRO COc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000019559934 557500616 /nfs/dbraw/zinc/50/06/16/557500616.db2.gz QYDVVOABLIUWCE-QHCPKHFHSA-N 1 0 440.592 3.455 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000224243166 557580129 /nfs/dbraw/zinc/58/01/29/557580129.db2.gz YDHPRBFQBZXKSD-UHFFFAOYSA-N 1 0 435.977 3.298 40 0 IGABRO COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)cc1 ZINC000224283942 557585700 /nfs/dbraw/zinc/58/57/00/557585700.db2.gz PFZAJTHMMWJWCR-UHFFFAOYSA-N 1 0 445.585 3.126 40 0 IGABRO CSc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000224507993 557614421 /nfs/dbraw/zinc/61/44/21/557614421.db2.gz OZDGOAHNYWOCDC-UHFFFAOYSA-N 1 0 447.626 3.087 40 0 IGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000224622326 557632216 /nfs/dbraw/zinc/63/22/16/557632216.db2.gz KNLDJIYEMIAFQR-FQEVSTJZSA-N 1 0 447.626 3.061 40 0 IGABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000224792809 557651625 /nfs/dbraw/zinc/65/16/25/557651625.db2.gz WARRCQMKIWENHX-UHFFFAOYSA-N 1 0 441.597 3.138 40 0 IGABRO Cc1ccc(C)c(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000224813525 557654579 /nfs/dbraw/zinc/65/45/79/557654579.db2.gz HCMTYCAAYNCKAG-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225547058 557740049 /nfs/dbraw/zinc/74/00/49/557740049.db2.gz WFGSEDVZEFTEKC-GOSISDBHSA-N 1 0 442.025 3.123 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1OCCn1cccn1 ZINC000585271173 568617855 /nfs/dbraw/zinc/61/78/55/568617855.db2.gz KWCBWJPEDRJOGR-VWLOTQADSA-N 1 0 437.540 3.377 40 0 IGABRO O[C@H]1CC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585287778 568619471 /nfs/dbraw/zinc/61/94/71/568619471.db2.gz RHZOQADSLQOYSJ-IODBPXAYSA-N 1 0 447.522 3.230 40 0 IGABRO COCC[N@@H+]1CC[C@@H](CNC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)C1 ZINC000257203161 568666791 /nfs/dbraw/zinc/66/67/91/568666791.db2.gz AOXGKFGFGRZRLI-QFIPXVFZSA-N 1 0 437.584 3.172 40 0 IGABRO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2C[C@@H]3[C@@H](Cc4ccc(C)cn4)CC[C@@H]3C2)c1 ZINC000257204588 568667160 /nfs/dbraw/zinc/66/71/60/568667160.db2.gz AVINTCRMIXGBMU-WOIUINJBSA-N 1 0 436.556 3.496 40 0 IGABRO CN(CC(=O)N1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1)Cc1ccccc1F ZINC000257277934 568701151 /nfs/dbraw/zinc/70/11/51/568701151.db2.gz OABSIIIRFSTHTQ-OAQYLSRUSA-N 1 0 435.503 3.391 40 0 IGABRO C[C@H]1CCC[N@H+](CC(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)C1 ZINC000257312181 568716513 /nfs/dbraw/zinc/71/65/13/568716513.db2.gz UMTWMCMJOJHRDW-IBGZPJMESA-N 1 0 449.599 3.046 40 0 IGABRO C[N@H+](CCc1ccccn1)[C@@H]1[C@@H](O)[C@H](Oc2ccc(F)cc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257323943 568721567 /nfs/dbraw/zinc/72/15/67/568721567.db2.gz WMNIDWJORZADAA-CZYKHXBRSA-N 1 0 445.535 3.169 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]2C3)cc1 ZINC000306123528 568762726 /nfs/dbraw/zinc/76/27/26/568762726.db2.gz APMOHXDHJZWFFQ-DLBZAZTESA-N 1 0 437.931 3.497 40 0 IGABRO COc1ccc(C[N@@H+]2C[C@@H](c3ccnn3C)[C@]3(C2)CCCN(Cc2ccncc2)C3=O)cc1 ZINC000306124135 568763023 /nfs/dbraw/zinc/76/30/23/568763023.db2.gz BHCRIJFQQHFVTH-JYFHCDHNSA-N 1 0 445.567 3.232 40 0 IGABRO COCCN1CC2(CC[NH+](Cc3cccc(C)c3)CC2)COc2ccccc2S1(=O)=O ZINC000306131235 568766690 /nfs/dbraw/zinc/76/66/90/568766690.db2.gz JZBICVWQFHSNDI-UHFFFAOYSA-N 1 0 444.597 3.307 40 0 IGABRO CN1CC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2nn(-c3ccccc3)cc2C1=O ZINC000306132105 568766943 /nfs/dbraw/zinc/76/69/43/568766943.db2.gz KYLWBTVIIQKMIF-UHFFFAOYSA-N 1 0 430.508 3.220 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccnc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306134813 568768690 /nfs/dbraw/zinc/76/86/90/568768690.db2.gz NYQIWMYXNWKSNZ-WIOPSUGQSA-N 1 0 430.556 3.272 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccnc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306134810 568768830 /nfs/dbraw/zinc/76/88/30/568768830.db2.gz NYQIWMYXNWKSNZ-DHLKQENFSA-N 1 0 430.556 3.272 40 0 IGABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccc(C)s3)CC2)C1 ZINC000306135156 568768898 /nfs/dbraw/zinc/76/88/98/568768898.db2.gz OJKPUKKWZYESHP-UHFFFAOYSA-N 1 0 438.557 3.283 40 0 IGABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(c3ccccc3)CCc3nnc(C(=O)NC4CC4)n3C[C@@H]12 ZINC000306141005 568772002 /nfs/dbraw/zinc/77/20/02/568772002.db2.gz VIQMDTKLBFKSNL-HYBUGGRVSA-N 1 0 448.596 3.094 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2ccccc2Br)cc(-c2ccccn2)n1 ZINC000328981192 568808453 /nfs/dbraw/zinc/80/84/53/568808453.db2.gz GSMRACXQJJTMEC-UHFFFAOYSA-N 1 0 441.377 3.121 40 0 IGABRO Cc1c(Br)cccc1Nc1cc(-c2ccncc2)nc(NCC[NH+](C)C)n1 ZINC000329030725 568809809 /nfs/dbraw/zinc/80/98/09/568809809.db2.gz QFGCFHGCLBATRJ-UHFFFAOYSA-N 1 0 427.350 3.170 40 0 IGABRO CCn1cc(C[N@@H+]2CCC[C@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1 ZINC000247919491 569206560 /nfs/dbraw/zinc/20/65/60/569206560.db2.gz CAWWJAGKNUFFDO-YADARESESA-N 1 0 426.561 3.242 40 0 IGABRO Cc1ccc(Cl)cc1N(CCCC(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000010279385 569222079 /nfs/dbraw/zinc/22/20/79/569222079.db2.gz OZXXVFUMDZILKY-UHFFFAOYSA-N 1 0 430.014 3.187 40 0 IGABRO NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)C2C[NH+](Cc3ccccc3)C2)CCO1 ZINC000019697780 569230035 /nfs/dbraw/zinc/23/00/35/569230035.db2.gz XZXJXOUSMNZZKT-LJQANCHMSA-N 1 0 435.549 3.032 40 0 IGABRO Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cnc(N3CCOCC3)nc2)c1 ZINC000019713522 569235608 /nfs/dbraw/zinc/23/56/08/569235608.db2.gz LURBKMTYUHTUKG-RPWUZVMVSA-N 1 0 449.599 3.167 40 0 IGABRO Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)n21 ZINC000002947974 569427044 /nfs/dbraw/zinc/42/70/44/569427044.db2.gz ODRNBRDWNINMKX-IBGZPJMESA-N 1 0 443.551 3.299 40 0 IGABRO CC1=C[C@@H](C[NH2+]CCN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 ZINC000030882880 291355020 /nfs/dbraw/zinc/35/50/20/291355020.db2.gz USUALXWVQITFMM-VABKMULXSA-N 1 0 439.604 3.451 40 0 biogenic,in-vitro IGABRO COC[C@H]1CCCN1Cc1nc(C2(O)CC[NH+](Cc3ccc(OC)cc3)CC2)cs1 ZINC000225465871 291357200 /nfs/dbraw/zinc/35/72/00/291357200.db2.gz SSCXMVHWOXKXSQ-LJQANCHMSA-N 1 0 431.602 3.246 40 0 biogenic,in-vitro IGABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000006193136 193889987 /nfs/dbraw/zinc/88/99/87/193889987.db2.gz OANMRZZLCFGREH-OAQYLSRUSA-N 1 0 444.645 3.424 40 0 IGABRO CN(CCO)C(=O)c1cc([C@H]2CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)nc2ccccc21 ZINC000019761938 193914437 /nfs/dbraw/zinc/91/44/37/193914437.db2.gz QKJMXRYTNGKHPA-KRWDZBQOSA-N 1 0 435.572 3.309 40 0 IGABRO CCOc1ccc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc1 ZINC000012186603 520968539 /nfs/dbraw/zinc/96/85/39/520968539.db2.gz NQFDYNHOQRMPSL-UHFFFAOYSA-N 1 0 425.554 3.398 40 0 IGABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCO)C[C@@H](c3cccc(OC)c3)N21 ZINC000012603287 523808517 /nfs/dbraw/zinc/80/85/17/523808517.db2.gz JAHYCVNAWHSPCE-ZFWPHHPHSA-N 1 0 449.551 3.103 40 0 biogenic,in-vitro IGABRO C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)Nc1ccccc1 ZINC000012709921 524054185 /nfs/dbraw/zinc/05/41/85/524054185.db2.gz ROYKAMYBTVBUCK-UHFFFAOYSA-N 1 0 436.512 3.285 40 0 IGABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccn2)on1)N1CCN(c2ccccc2)CC1 ZINC000012482235 527125652 /nfs/dbraw/zinc/12/56/52/527125652.db2.gz KYUAOMWDTQZNKQ-SFTDATJTSA-N 1 0 445.567 3.244 40 0 biogenic,in-vitro IGABRO C[NH+]1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000408531595 555733976 /nfs/dbraw/zinc/73/39/76/555733976.db2.gz OPLGHOOVSKTWFO-UHFFFAOYSA-N 1 0 430.306 3.035 40 0 IGABRO C[N@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000003871507 555949936 /nfs/dbraw/zinc/94/99/36/555949936.db2.gz BQBSHJUQVIWEFM-INIZCTEOSA-N 1 0 447.384 3.279 40 0 in-vivo IGABRO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@H](C)C3)cc12 ZINC000006322168 556084871 /nfs/dbraw/zinc/08/48/71/556084871.db2.gz ZTJJKIRYHVYXKJ-REDKUUPNSA-N 1 0 436.560 3.132 40 0 IGABRO COCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039761701 556436754 /nfs/dbraw/zinc/43/67/54/556436754.db2.gz RLGNHDBBYPCJLU-UHFFFAOYSA-N 1 0 427.520 3.443 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1 ZINC000032463212 556537827 /nfs/dbraw/zinc/53/78/27/556537827.db2.gz QVSKTUQHEHKZRO-UHFFFAOYSA-N 1 0 435.977 3.018 40 0 IGABRO O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCC1 ZINC000013632413 556539862 /nfs/dbraw/zinc/53/98/62/556539862.db2.gz OHELCKBRLIGIOB-UHFFFAOYSA-N 1 0 433.549 3.013 40 0 IGABRO CCc1ccccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000013668956 556549482 /nfs/dbraw/zinc/54/94/82/556549482.db2.gz FPBDRHKNCJYFPC-UHFFFAOYSA-N 1 0 443.613 3.437 40 0 IGABRO Cc1ccccc1N(CC(=O)NCCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000013674330 556553921 /nfs/dbraw/zinc/55/39/21/556553921.db2.gz KBPCLGTUIBAKQZ-UHFFFAOYSA-N 1 0 429.586 3.183 40 0 IGABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)C3CCCCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257229014 556709040 /nfs/dbraw/zinc/70/90/40/556709040.db2.gz FWGGCFSULPPZQA-GNKBHMEESA-N 1 0 427.633 3.172 40 0 IGABRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1C ZINC000019214312 556711006 /nfs/dbraw/zinc/71/10/06/556711006.db2.gz WRMFSOHPFLHOTQ-NRFANRHFSA-N 1 0 444.601 3.069 40 0 IGABRO NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)no2)C1 ZINC000019333804 556737988 /nfs/dbraw/zinc/73/79/88/556737988.db2.gz WSBOBKHJLDJSES-QGZVFWFLSA-N 1 0 430.936 3.045 40 0 IGABRO C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)Nc1ccccc1 ZINC000000891521 556739931 /nfs/dbraw/zinc/73/99/31/556739931.db2.gz QBZZEYQZODZGEJ-UHFFFAOYSA-N 1 0 438.553 3.060 40 0 IGABRO O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019400154 556752913 /nfs/dbraw/zinc/75/29/13/556752913.db2.gz PCZAZXFNIVILEE-QFIPXVFZSA-N 1 0 435.572 3.471 40 0 IGABRO O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019406435 556755146 /nfs/dbraw/zinc/75/51/46/556755146.db2.gz BLKHOGLHSQQNKI-FQEVSTJZSA-N 1 0 426.586 3.428 40 0 IGABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2F)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450124 556760965 /nfs/dbraw/zinc/76/09/65/556760965.db2.gz SXYYTUHFEIJLNH-OALUTQOASA-N 1 0 443.542 3.485 40 0 IGABRO COc1cccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1OC ZINC000019497336 556770033 /nfs/dbraw/zinc/77/00/33/556770033.db2.gz BOCARGOMVYVZFV-IAGOWNOFSA-N 1 0 442.560 3.056 40 0 IGABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc(OC)cc2O3)cc1 ZINC000019499334 556771564 /nfs/dbraw/zinc/77/15/64/556771564.db2.gz HHJDTXGUTPFTRZ-FCHUYYIVSA-N 1 0 440.540 3.428 40 0 IGABRO CCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)n1 ZINC000019525154 556782714 /nfs/dbraw/zinc/78/27/14/556782714.db2.gz YOZRVHXEFDOJAR-OAQYLSRUSA-N 1 0 438.576 3.457 40 0 IGABRO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019530081 556791264 /nfs/dbraw/zinc/79/12/64/556791264.db2.gz IGHUZOYNVWEOHN-NZQKXSOJSA-N 1 0 428.508 3.288 40 0 IGABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019562217 556803798 /nfs/dbraw/zinc/80/37/98/556803798.db2.gz KWOFTCDBFNKTBP-LEWJYISDSA-N 1 0 441.524 3.241 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1OC ZINC000019567721 556807842 /nfs/dbraw/zinc/80/78/42/556807842.db2.gz WNMNFGULAHLWAD-AREMUKBSSA-N 1 0 446.551 3.471 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1OC ZINC000019567754 556807940 /nfs/dbraw/zinc/80/79/40/556807940.db2.gz NRNYATRZMSDTNP-JLJPHGGASA-N 1 0 425.455 3.495 40 0 IGABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)Cc1cc(F)ccc1F ZINC000019582132 556819895 /nfs/dbraw/zinc/81/98/95/556819895.db2.gz DBUFTYSXBLEBRN-FCHUYYIVSA-N 1 0 443.538 3.323 40 0 IGABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)Cc1cc(F)ccc1F ZINC000019582135 556819915 /nfs/dbraw/zinc/81/99/15/556819915.db2.gz DBUFTYSXBLEBRN-VXKWHMMOSA-N 1 0 443.538 3.323 40 0 IGABRO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(NCCCc3ccc(F)cc3)c2C1 ZINC000019711303 556875524 /nfs/dbraw/zinc/87/55/24/556875524.db2.gz XUHXVUROCHWORY-IBGZPJMESA-N 1 0 425.552 3.374 40 0 IGABRO Cc1nc([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741278 556883142 /nfs/dbraw/zinc/88/31/42/556883142.db2.gz ITUZMYJIUMRAEU-OAQYLSRUSA-N 1 0 447.583 3.066 40 0 IGABRO COc1cccc(CN2C(=O)Cc3c2nc([C@H]2CCC[N@@H+](C4CCOCC4)C2)nc3C)c1 ZINC000019743907 556889080 /nfs/dbraw/zinc/88/90/80/556889080.db2.gz MALUSSHMOAOFFX-IBGZPJMESA-N 1 0 436.556 3.241 40 0 IGABRO COc1cccc(CN2C(=O)Cc3c2nc([C@@H]2CCC[N@@H+](C4CCOCC4)C2)nc3C)c1 ZINC000019743905 556889094 /nfs/dbraw/zinc/88/90/94/556889094.db2.gz MALUSSHMOAOFFX-LJQANCHMSA-N 1 0 436.556 3.241 40 0 IGABRO Cn1c(=O)c2c(C(F)(F)F)cc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)nc2n(C)c1=O ZINC000019744835 556891527 /nfs/dbraw/zinc/89/15/27/556891527.db2.gz FWPXEXPQEHPHQQ-CQSZACIVSA-N 1 0 436.478 3.187 40 0 IGABRO O=C(N[C@H]1Cc2ccc(S(=O)(=O)NCCC[NH+]3CCCCCC3)cc2C1)C1CCCC1 ZINC000019749607 556893918 /nfs/dbraw/zinc/89/39/18/556893918.db2.gz FTDCNMXEJFRMHK-QFIPXVFZSA-N 1 0 447.645 3.005 40 0 IGABRO Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019752777 556896540 /nfs/dbraw/zinc/89/65/40/556896540.db2.gz PCGNUATWKMXGKL-OAQYLSRUSA-N 1 0 432.572 3.479 40 0 IGABRO CNC(=O)c1cnc(C)nc1CC1CC[NH+](Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 ZINC000019757147 556901302 /nfs/dbraw/zinc/90/13/02/556901302.db2.gz PJTSKZBZVAVSNT-UHFFFAOYSA-N 1 0 446.555 3.065 40 0 IGABRO CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000072344891 556915884 /nfs/dbraw/zinc/91/58/84/556915884.db2.gz SCLPUBMPPFVQNK-LJQANCHMSA-N 1 0 436.553 3.465 40 0 IGABRO CCn1cc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)NCc3ccc(F)cc3)CC2)cn1 ZINC000072352125 556923058 /nfs/dbraw/zinc/92/30/58/556923058.db2.gz NCUVWTOHEZJOAM-UHFFFAOYSA-N 1 0 438.551 3.160 40 0 IGABRO CC(=O)N1CCO[C@H](c2c3ccccc3sc2C(=O)N(C)CC2CC[NH+](C)CC2)C1 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556937571 /nfs/dbraw/zinc/93/75/71/556937571.db2.gz VAUVGCYZWPQCJF-DNQXCXABSA-O 1 0 427.528 3.077 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409054718 556938317 /nfs/dbraw/zinc/93/83/17/556938317.db2.gz NMPDOWXODPLIRY-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409055777 556939072 /nfs/dbraw/zinc/93/90/72/556939072.db2.gz BBBXDKNDZVLJKG-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO Cc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 ZINC000409061635 556939404 /nfs/dbraw/zinc/93/94/04/556939404.db2.gz YUMZFNRITCMDFJ-JWQCQUIFSA-O 1 0 441.555 3.386 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000409062288 556939875 /nfs/dbraw/zinc/93/98/75/556939875.db2.gz RIGMMLSQMDHBAE-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409062461 556939999 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/nfs/dbraw/zinc/94/67/92/556946792.db2.gz TUOABJWSMPVVEQ-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000072375056 556950473 /nfs/dbraw/zinc/95/04/73/556950473.db2.gz JRELOLNVRWKKGJ-KRWDZBQOSA-N 1 0 426.546 3.139 40 0 IGABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)Cc1ccccc1F ZINC000072394716 556966234 /nfs/dbraw/zinc/96/62/34/556966234.db2.gz LLJPKVOBANZNHT-FCHUYYIVSA-N 1 0 425.548 3.184 40 0 IGABRO COc1ccc(OC)c([C@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000020139841 556989264 /nfs/dbraw/zinc/98/92/64/556989264.db2.gz JVUOLQMWGMNYBG-OAQYLSRUSA-N 1 0 428.581 3.095 40 0 IGABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106289 557039625 /nfs/dbraw/zinc/03/96/25/557039625.db2.gz OLHNUIUEUKGITQ-UHOSZYNNSA-N 1 0 439.556 3.283 40 0 IGABRO CCCN1CCN(C(=O)C(C)(C)[NH3+])C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183612 557139318 /nfs/dbraw/zinc/13/93/18/557139318.db2.gz NAUVAUNCZYMVDI-HXUWFJFHSA-N 1 0 437.584 3.339 40 0 IGABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006149753 557146226 /nfs/dbraw/zinc/14/62/26/557146226.db2.gz WZFPIRGOHWPPHC-UHFFFAOYSA-N 1 0 432.590 3.075 40 0 IGABRO CCCc1ccc(C(=O)N2CCC3(C[N@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC2)cc1 ZINC000096144176 557171769 /nfs/dbraw/zinc/17/17/69/557171769.db2.gz VQKYWHJTUFOPNM-MHZLTWQESA-N 1 0 446.595 3.279 40 0 IGABRO CCc1cccc(NC(=O)N2CCC3(C[N@@H+](CCOC)C[C@]34CCN(CC)C4=O)CC2)c1 ZINC000096144374 557172490 /nfs/dbraw/zinc/17/24/90/557172490.db2.gz KFHDKRWJWQLOHP-VWLOTQADSA-N 1 0 442.604 3.064 40 0 IGABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)Nc2ccc(C)nc2)Cn2ccnc23)cc1 ZINC000096144917 557173774 /nfs/dbraw/zinc/17/37/74/557173774.db2.gz DDXBRWIBAJPGFP-QFIPXVFZSA-N 1 0 447.539 3.124 40 0 IGABRO CCc1ccccc1NC(=O)N1CCC2(C[N@@H+](CCOC)C[C@]23CCN(CC)C3=O)CC1 ZINC000096262809 557190371 /nfs/dbraw/zinc/19/03/71/557190371.db2.gz BWHMDEBNSIUXOT-VWLOTQADSA-N 1 0 442.604 3.064 40 0 IGABRO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCC[NH+]1CCCCC1 ZINC000010278816 557212673 /nfs/dbraw/zinc/21/26/73/557212673.db2.gz ZNNQVEYFXVIWIH-UHFFFAOYSA-N 1 0 433.549 3.013 40 0 IGABRO Cc1ccc(Cl)cc1N(CCCC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000010540919 557222169 /nfs/dbraw/zinc/22/21/69/557222169.db2.gz DKVKWMOAAHVULW-UHFFFAOYSA-N 1 0 444.041 3.433 40 0 IGABRO CCCCc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1 ZINC000585289864 557226654 /nfs/dbraw/zinc/22/66/54/557226654.db2.gz LKXPGVWPKRRMMF-UPVQGACJSA-N 1 0 430.976 3.410 40 0 IGABRO COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000098071763 557232849 /nfs/dbraw/zinc/23/28/49/557232849.db2.gz UDUFBKMRXQHEGQ-UHFFFAOYSA-N 1 0 440.363 3.010 40 0 IGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000057774125 557264068 /nfs/dbraw/zinc/26/40/68/557264068.db2.gz YDBCOGUFWMEXNP-WZONZLPQSA-N 1 0 427.545 3.205 40 0 IGABRO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000057774128 557264106 /nfs/dbraw/zinc/26/41/06/557264106.db2.gz YDBCOGUFWMEXNP-JPYJTQIMSA-N 1 0 427.545 3.205 40 0 IGABRO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]CCN3CCOCC3)cc21 ZINC000022931292 557274542 /nfs/dbraw/zinc/27/45/42/557274542.db2.gz JYGFRMDKSMPUJA-UHFFFAOYSA-N 1 0 443.979 3.087 40 0 IGABRO Cc1cccc(N([C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000220154269 557282926 /nfs/dbraw/zinc/28/29/26/557282926.db2.gz FBFNFBIYDWSSPQ-SFHVURJKSA-N 1 0 445.585 3.261 40 0 IGABRO COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccc(F)cc1 ZINC000023469508 557314771 /nfs/dbraw/zinc/31/47/71/557314771.db2.gz IZKRXPJYNGWVKX-AWEZNQCLSA-N 1 0 441.341 3.236 40 0 IGABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1cccnc1 ZINC000223256485 557451635 /nfs/dbraw/zinc/45/16/35/557451635.db2.gz OISSWFRBHRPMIA-DHIUTWEWSA-N 1 0 434.613 3.477 40 0 IGABRO COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223291418 557456284 /nfs/dbraw/zinc/45/62/84/557456284.db2.gz SDOIQXIGGONUQL-YADHBBJMSA-N 1 0 449.580 3.193 40 0 IGABRO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)COc2ccc(C)cc2)c1 ZINC000016681603 557475140 /nfs/dbraw/zinc/47/51/40/557475140.db2.gz OYOHQKYFBOJVIP-UHFFFAOYSA-N 1 0 425.529 3.331 40 0 IGABRO Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000224122465 557564075 /nfs/dbraw/zinc/56/40/75/557564075.db2.gz FLXMIVNUZHDFOL-UHFFFAOYSA-N 1 0 429.586 3.426 40 0 IGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1 ZINC000224417150 557603983 /nfs/dbraw/zinc/60/39/83/557603983.db2.gz SJSZHPLCIFPCOT-HXUWFJFHSA-N 1 0 443.613 3.359 40 0 IGABRO Cc1ccccc1N(CCCC(=O)NCc1ccccc1C[NH+]1CCCC1)S(C)(=O)=O ZINC000224797095 557652139 /nfs/dbraw/zinc/65/21/39/557652139.db2.gz GRTBIQNXTUTMHR-UHFFFAOYSA-N 1 0 443.613 3.453 40 0 IGABRO CCc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000224818298 557655167 /nfs/dbraw/zinc/65/51/67/557655167.db2.gz RMBQASURONSMHB-UHFFFAOYSA-N 1 0 443.613 3.317 40 0 IGABRO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1N(C)S(C)(=O)=O ZINC000224848370 557658370 /nfs/dbraw/zinc/65/83/70/557658370.db2.gz XSQZLFWXKRPEJC-UHFFFAOYSA-N 1 0 429.586 3.307 40 0 IGABRO COc1cc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc(OC)c1OC ZINC000225210473 557700632 /nfs/dbraw/zinc/70/06/32/557700632.db2.gz YMYLURJBBGHRPR-UHFFFAOYSA-N 1 0 427.570 3.194 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000225480564 557727869 /nfs/dbraw/zinc/72/78/69/557727869.db2.gz BWJXJEJWLIVTJL-NRFANRHFSA-N 1 0 435.634 3.167 40 0 IGABRO COc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@@H]43)CC2)c1 ZINC000061992832 557829721 /nfs/dbraw/zinc/82/97/21/557829721.db2.gz HDQONPFINLODRO-LFIKFTOSSA-N 1 0 440.584 3.102 40 0 IGABRO COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1 ZINC000061997563 557829963 /nfs/dbraw/zinc/82/99/63/557829963.db2.gz ZXBPYNJHTIRHRM-GIPUWTIZSA-N 1 0 440.584 3.102 40 0 IGABRO CSc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1NC(=O)C(C)C ZINC000260760990 557853562 /nfs/dbraw/zinc/85/35/62/557853562.db2.gz DENAQAUDQBGDSI-INIZCTEOSA-N 1 0 427.636 3.403 40 0 IGABRO Cc1nc(-c2ccco2)cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccc3c(c2)OCO3)n1 ZINC000015672590 560095579 /nfs/dbraw/zinc/09/55/79/560095579.db2.gz PDEWTZIUQCMRPS-UHOSZYNNSA-N 1 0 446.507 3.382 40 0 biogenic,in-vitro IGABRO O=C1[C@@H]2CCCC[C@H]2C(=O)N1CCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000011616768 560211428 /nfs/dbraw/zinc/21/14/28/560211428.db2.gz FBVFZWUMDDXLLG-QZTJIDSGSA-N 1 0 426.586 3.374 40 0 in-vitro IGABRO Cc1oc(-c2cccs2)nc1C[S@@](=O)CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006577819 562947889 /nfs/dbraw/zinc/94/78/89/562947889.db2.gz QGYSEQCMSZKWQJ-AJXXGZDZSA-N 1 0 437.631 3.444 40 0 IGABRO Cc1cccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000260890940 568627585 /nfs/dbraw/zinc/62/75/85/568627585.db2.gz VKGRSXYLFZTRIN-LJQANCHMSA-N 1 0 429.586 3.062 40 0 IGABRO Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000260894943 568628260 /nfs/dbraw/zinc/62/82/60/568628260.db2.gz GTNNXBQKZONYQJ-HXUWFJFHSA-N 1 0 443.613 3.452 40 0 IGABRO COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)[C@@H]([NH3+])CCSC)CC[C@@H]3O[C@H]21 ZINC000257221154 568675000 /nfs/dbraw/zinc/67/50/00/568675000.db2.gz DNSSRNSQKTYZQY-FFDLZJQPSA-N 1 0 434.602 3.241 40 0 IGABRO C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCOC[C@H](Cc3ccc4nccn4c3)C2)CC1 ZINC000257221865 568675273 /nfs/dbraw/zinc/67/52/73/568675273.db2.gz DQVWYGCQJCPNKI-XMMPIXPASA-N 1 0 446.595 3.307 40 0 IGABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(S(=O)(=O)c4cnn(C)c4C)C3)c2)c1 ZINC000257259710 568692930 /nfs/dbraw/zinc/69/29/30/568692930.db2.gz KZPXYDDUXVFUPB-QGZVFWFLSA-N 1 0 441.557 3.362 40 0 IGABRO O=C(N1CC[NH2+]C[C@@H](COCc2ccccc2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000257266327 568695826 /nfs/dbraw/zinc/69/58/26/568695826.db2.gz MCNWXUJQTKPHBE-OAQYLSRUSA-N 1 0 426.532 3.139 40 0 IGABRO CNc1nc([C@H]2CC[N@H+](Cc3c(C)cc(OC)c(C)c3C)C2)nc2c1CN(C(C)=O)CC2 ZINC000257273688 568699078 /nfs/dbraw/zinc/69/90/78/568699078.db2.gz NHSOOAZGRCRZBR-IBGZPJMESA-N 1 0 437.588 3.346 40 0 IGABRO C[NH+](C)CCOc1cccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000257306833 568714289 /nfs/dbraw/zinc/71/42/89/568714289.db2.gz SWENHTPDLSFBPU-GMAHTHKFSA-N 1 0 432.948 3.325 40 0 IGABRO C[N@@H+]1CCCC[C@@]1(C)C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257312627 568716709 /nfs/dbraw/zinc/71/67/09/568716709.db2.gz UOVVZCYEZXCRRJ-LCGRTSHQSA-N 1 0 427.633 3.314 40 0 IGABRO CC1(C)Oc2ccccc2[C@H]2OCC3(CC[NH+](C4CCN(S(C)(=O)=O)CC4)CC3)C[C@@H]21 ZINC000257329166 568723943 /nfs/dbraw/zinc/72/39/43/568723943.db2.gz XITWHSFDHVNFEU-RBBKRZOGSA-N 1 0 448.629 3.441 40 0 IGABRO COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@@H+]1CCC[C@](C(N)=O)(c2ccccn2)C1 ZINC000257336135 568726803 /nfs/dbraw/zinc/72/68/03/568726803.db2.gz YNIZSWZXDKYGBX-AREMUKBSSA-N 1 0 448.567 3.138 40 0 IGABRO CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@]12CO[C@@H](c1ccc(F)cc1)[C@H](C(C)C)C2 ZINC000257341016 568728960 /nfs/dbraw/zinc/72/89/60/568728960.db2.gz ZILXYMUQDWDJOX-PEIKYOHHSA-N 1 0 447.595 3.409 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccnc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136476 568769399 /nfs/dbraw/zinc/76/93/99/568769399.db2.gz PUMPFGZQHNVIHH-RCZVLFRGSA-N 1 0 430.556 3.272 40 0 IGABRO COc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136251 568769477 /nfs/dbraw/zinc/76/94/77/568769477.db2.gz POCBJZOMCURPJB-XNMGPUDCSA-N 1 0 443.547 3.487 40 0 IGABRO C[NH+](C)[C@@H]1CCN(C(=O)c2nc([C@@H]3CCCN3C(=O)c3ccccc3)n3ccccc23)C1 ZINC000306136814 568769705 /nfs/dbraw/zinc/76/97/05/568769705.db2.gz QEBZGFIJQHCRLD-CTNGQTDRSA-N 1 0 431.540 3.088 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccc(Cl)cc4)C[C@H]2C3)cc1 ZINC000306138393 568770519 /nfs/dbraw/zinc/77/05/19/568770519.db2.gz RWKGAAYJFGYWED-SJORKVTESA-N 1 0 437.931 3.497 40 0 IGABRO Cc1cccc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306139778 568771185 /nfs/dbraw/zinc/77/11/85/568771185.db2.gz UAIIENFLMILDFB-AOYPEHQESA-N 1 0 428.536 3.182 40 0 IGABRO O=C(NCC[NH+]1CCCCC1)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306140402 568771798 /nfs/dbraw/zinc/77/17/98/568771798.db2.gz USJGLDSGVJKJQW-UHFFFAOYSA-N 1 0 428.540 3.462 40 0 IGABRO COc1cccc(NC(=O)[C@H]2C[N@H+](C)CC3(CCN(C(=O)c4ccc(C)s4)CC3)O2)c1 ZINC000306140917 568771933 /nfs/dbraw/zinc/77/19/33/568771933.db2.gz VGSYYSLDSMGSJX-LJQANCHMSA-N 1 0 443.569 3.009 40 0 IGABRO Cc1ccc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)c(Br)c1 ZINC000328966227 568807965 /nfs/dbraw/zinc/80/79/65/568807965.db2.gz CJIAYVSWGMPZJF-UHFFFAOYSA-N 1 0 427.350 3.170 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2cccc(Br)c2)cc(-c2ccccn2)n1 ZINC000329066865 568811065 /nfs/dbraw/zinc/81/10/65/568811065.db2.gz YDOGWTUFDOCXFS-UHFFFAOYSA-N 1 0 427.350 3.252 40 0 IGABRO O=C(CCc1nc(-c2ccncc2)no1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199212 568921897 /nfs/dbraw/zinc/92/18/97/568921897.db2.gz WQOFROOHJBTXFK-SEDAZVQISA-N 1 0 433.556 3.486 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)c1F ZINC000247930604 569206566 /nfs/dbraw/zinc/20/65/66/569206566.db2.gz ROFWNZLTZRLYSD-ZEYPLWLESA-N 1 0 427.520 3.478 40 0 IGABRO C[NH+](C)C[C@@H]1COc2ccccc2CN1C[C@H]1CCCN1C(=O)Cc1ccccc1F ZINC000248115951 569207222 /nfs/dbraw/zinc/20/72/22/569207222.db2.gz LLJPKVOBANZNHT-FGZHOGPDSA-N 1 0 425.548 3.184 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c1F ZINC000019567162 569227091 /nfs/dbraw/zinc/22/70/91/569227091.db2.gz ROFWNZLTZRLYSD-AVCGJXAMSA-N 1 0 427.520 3.478 40 0 IGABRO CCC(CC)C(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699870 569230845 /nfs/dbraw/zinc/23/08/45/569230845.db2.gz MNVGTQYBHMCIHI-OAQYLSRUSA-N 1 0 440.588 3.000 40 0 IGABRO COc1c(C)cccc1C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702601 569232157 /nfs/dbraw/zinc/23/21/57/569232157.db2.gz ZXAMUFYNTLWGHA-MRXNPFEDSA-N 1 0 425.554 3.325 40 0 IGABRO Cc1cccc(OC(C)(C)C(=O)N2CCC[C@H]2c2nc(C[NH+](C)C)cc(N(C)C)n2)c1 ZINC000019760768 569237739 /nfs/dbraw/zinc/23/77/39/569237739.db2.gz WLBNKPCVOWSFJP-FQEVSTJZSA-N 1 0 425.577 3.434 40 0 IGABRO [NH3+][C@@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3cnccn3)n2)CC1 ZINC000072380010 569250140 /nfs/dbraw/zinc/25/01/40/569250140.db2.gz HAIBOOZQCUSMIY-QLOJAFMTSA-N 1 0 449.534 3.109 40 0 IGABRO O=C(Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000019751678 569328400 /nfs/dbraw/zinc/32/84/00/569328400.db2.gz HQBJXGCSWCCZGY-UHFFFAOYSA-N 1 0 448.498 3.474 40 0 IGABRO Cc1ccc([C@H](C[NH2+]CC(=O)N(Cc2ccco2)CC(F)(F)F)N2CCOCC2)cc1 ZINC000028617003 569414767 /nfs/dbraw/zinc/41/47/67/569414767.db2.gz GSGJOMOXEKTJPF-FQEVSTJZSA-N 1 0 439.478 3.142 40 0 IGABRO COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218109439 569456362 /nfs/dbraw/zinc/45/63/62/569456362.db2.gz FRTPTKAXFMZUJC-JTAQYXEDSA-N 1 0 446.569 3.166 40 0 IGABRO O=C(NCc1ccco1)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297601 569462534 /nfs/dbraw/zinc/46/25/34/569462534.db2.gz DSGMFMYGPAPRFK-KPLVRAHFSA-N 1 0 437.569 3.190 40 0 biogenic,in-vitro IGABRO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000016681614 132357089 /nfs/dbraw/zinc/35/70/89/132357089.db2.gz VHUHABSOQJHCLC-UHFFFAOYSA-N 1 0 441.528 3.275 40 0 IGABRO CC(=O)NCCNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000015673695 519664274 /nfs/dbraw/zinc/66/42/74/519664274.db2.gz GLYIOZUBEZPXFK-PMACEKPBSA-N 1 0 440.588 3.050 40 0 biogenic,in-vitro IGABRO COc1cc(C[NH+]2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)cc(OC)c1 ZINC000012188591 522370163 /nfs/dbraw/zinc/37/01/63/522370163.db2.gz VLDQATDJXQNHMX-UHFFFAOYSA-N 1 0 443.569 3.119 40 0 IGABRO COc1cccc([C@@H]2CN(C(=O)C[N@H+](C)CCc3ccccc3)C[C@H]2c2csnn2)c1 ZINC000012163148 524121450 /nfs/dbraw/zinc/12/14/50/524121450.db2.gz FJAANHBAYVFFEB-FCHUYYIVSA-N 1 0 436.581 3.431 40 0 IGABRO Cc1ccccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O ZINC000024182277 525217820 /nfs/dbraw/zinc/21/78/20/525217820.db2.gz HLGNIRTZHPRVIK-UHFFFAOYSA-N 1 0 429.586 3.063 40 0 IGABRO O=C(NCc1ccccc1)N(CC[NH+]1CCCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000012711124 526731888 /nfs/dbraw/zinc/73/18/88/526731888.db2.gz XMSPTTFYRXFQPD-UHFFFAOYSA-N 1 0 448.523 3.064 40 0 IGABRO O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039758929 556441962 /nfs/dbraw/zinc/44/19/62/556441962.db2.gz KLSWTMOQHXPUIC-UHFFFAOYSA-N 1 0 445.560 3.461 40 0 IGABRO CN1CCN([C@@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c2cccs2)CC1 ZINC000040160709 556472195 /nfs/dbraw/zinc/47/21/95/556472195.db2.gz FQUXFRYQPPJGLR-AKIFATBCSA-N 1 0 429.630 3.081 40 0 IGABRO CCOc1cc(C[NH2+]CCCO)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000036612778 556511061 /nfs/dbraw/zinc/51/10/61/556511061.db2.gz ATPHTTUDYRNJGC-UHFFFAOYSA-N 1 0 437.334 3.337 40 0 IGABRO CCc1ccccc1N(CC(=O)NCCC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC000013668622 556549205 /nfs/dbraw/zinc/54/92/05/556549205.db2.gz LVUJHQUOZYHEIP-UHFFFAOYSA-N 1 0 429.586 3.046 40 0 IGABRO COc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1NC(C)=O ZINC000019022151 556693955 /nfs/dbraw/zinc/69/39/55/556693955.db2.gz NPBYOONDNRFLRE-SFTDATJTSA-N 1 0 444.503 3.177 40 0 IGABRO CC(C)(C)C(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(O)(c4cccnc4)CC3)ccc21 ZINC000019081431 556696045 /nfs/dbraw/zinc/69/60/45/556696045.db2.gz CMYGCWMWTRZXBV-HSZRJFAPSA-N 1 0 437.584 3.424 40 0 IGABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c(C)c1 ZINC000257338402 556706745 /nfs/dbraw/zinc/70/67/45/556706745.db2.gz YXGHFCNNSOWSCQ-JOCHJYFZSA-N 1 0 426.557 3.176 40 0 IGABRO CC(=O)N1CCc2cc([C@@H](O)C[NH+]3CCC4(CC3)C[C@@H](O)c3cc(C)ccc3O4)ccc21 ZINC000019219278 556713872 /nfs/dbraw/zinc/71/38/72/556713872.db2.gz HKWGJUCCEGLSEC-RPWUZVMVSA-N 1 0 436.552 3.288 40 0 IGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 ZINC000019238690 556724171 /nfs/dbraw/zinc/72/41/71/556724171.db2.gz ZVHPIGVNPCHYON-IBGZPJMESA-N 1 0 435.553 3.070 40 0 IGABRO COc1ccc(CCC(=O)NC2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)cc1 ZINC000019288971 556729131 /nfs/dbraw/zinc/72/91/31/556729131.db2.gz QROQEANXJYOALM-UHFFFAOYSA-N 1 0 433.556 3.204 40 0 IGABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000019371955 556748854 /nfs/dbraw/zinc/74/88/54/556748854.db2.gz XQRNKNDKIYTWPU-NRFANRHFSA-N 1 0 432.572 3.312 40 0 IGABRO COc1cccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000019497335 556769977 /nfs/dbraw/zinc/76/99/77/556769977.db2.gz BOCARGOMVYVZFV-IRXDYDNUSA-N 1 0 442.560 3.056 40 0 IGABRO C[C@H]1Cc2cc(C[N@@H+]3C[C@H](C(=O)N(C)C)[C@@H](c4ccnc(N5CCCCC5)n4)C3)ccc2O1 ZINC000019498210 556770657 /nfs/dbraw/zinc/77/06/57/556770657.db2.gz FQZRUQJYYAQCBT-NYVOZVTQSA-N 1 0 449.599 3.094 40 0 IGABRO CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCC2)C3)c1C ZINC000019520949 556777696 /nfs/dbraw/zinc/77/76/96/556777696.db2.gz JLAILPBPYVVNRG-HXUWFJFHSA-N 1 0 438.576 3.444 40 0 IGABRO CCOc1cc(CCC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)on1 ZINC000019532354 556792564 /nfs/dbraw/zinc/79/25/64/556792564.db2.gz DFCJLOMYMQKFTQ-LJQANCHMSA-N 1 0 443.548 3.022 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(OC)c1OC ZINC000019552762 556796427 /nfs/dbraw/zinc/79/64/27/556796427.db2.gz WVEGMWQZIWMNQN-KRWDZBQOSA-N 1 0 442.560 3.166 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1OC ZINC000019560926 556802344 /nfs/dbraw/zinc/80/23/44/556802344.db2.gz JVVAAWXQMRFKSL-SANMLTNESA-N 1 0 446.551 3.471 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)C[C@H]2O ZINC000019563063 556803982 /nfs/dbraw/zinc/80/39/82/556803982.db2.gz WDRBPAHSIAGERI-RTWAWAEBSA-N 1 0 441.524 3.241 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC1)C[C@@H]2O ZINC000019563054 556804005 /nfs/dbraw/zinc/80/40/05/556804005.db2.gz WDRBPAHSIAGERI-LEWJYISDSA-N 1 0 441.524 3.241 40 0 IGABRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC2(CC1)CN(C(=O)c1cccs1)NC(=O)O2 ZINC000019577451 556815456 /nfs/dbraw/zinc/81/54/56/556815456.db2.gz BAPBGKFQFXLDHI-UHFFFAOYSA-N 1 0 431.562 3.274 40 0 IGABRO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@H+](C)CCCOc3cc(C)ccc3C)cc2)C1 ZINC000019698756 556857821 /nfs/dbraw/zinc/85/78/21/556857821.db2.gz PHIXKXJYTREYLI-RPWUZVMVSA-N 1 0 437.584 3.252 40 0 IGABRO Cc1nn(C)c(C)c1CCNC(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019706081 556863808 /nfs/dbraw/zinc/86/38/08/556863808.db2.gz ZBZPGWKUYPSKAC-NRFANRHFSA-N 1 0 432.572 3.179 40 0 IGABRO Cc1nn(C)c(C)c1CCNC(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019706080 556863935 /nfs/dbraw/zinc/86/39/35/556863935.db2.gz ZBZPGWKUYPSKAC-OAQYLSRUSA-N 1 0 432.572 3.179 40 0 IGABRO 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CCn1cc(C[NH+]2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(OC)cc3)CC2)cn1 ZINC000072352124 556923080 /nfs/dbraw/zinc/92/30/80/556923080.db2.gz IOMIJSJKNYYGMO-UHFFFAOYSA-N 1 0 436.560 3.352 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1OC ZINC000409052955 556931006 /nfs/dbraw/zinc/93/10/06/556931006.db2.gz FPNTXJXMXDMNQL-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1OC ZINC000409052952 556931012 /nfs/dbraw/zinc/93/10/12/556931012.db2.gz FPNTXJXMXDMNQL-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409057450 556934826 /nfs/dbraw/zinc/93/48/26/556934826.db2.gz QEWLJPQYQSNGMH-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409057415 556934835 /nfs/dbraw/zinc/93/48/35/556934835.db2.gz PPICPMBXDKAPHS-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO 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COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)c1 ZINC000409062015 556939628 /nfs/dbraw/zinc/93/96/28/556939628.db2.gz LVBAIXSSSOICPS-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409065323 556941428 /nfs/dbraw/zinc/94/14/28/556941428.db2.gz FZKMGINMZMXEPI-JLSHEFHBSA-O 1 0 444.511 3.110 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409070808 556944912 /nfs/dbraw/zinc/94/49/12/556944912.db2.gz NGSVNENTKYUSQI-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 ZINC000409072843 556946242 /nfs/dbraw/zinc/94/62/42/556946242.db2.gz SQNQPLYQSJPUJY-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)[nH+]1 ZINC000072375055 556950434 /nfs/dbraw/zinc/95/04/34/556950434.db2.gz JRELOLNVRWKKGJ-QGZVFWFLSA-N 1 0 426.546 3.139 40 0 IGABRO Cn1nc(-c2ccccc2F)cc1C[NH+]1CCC(NC(=O)C[C@H]2CC(C)(C)OC2=O)CC1 ZINC000072390495 556960916 /nfs/dbraw/zinc/96/09/16/556960916.db2.gz KZSORNXRHUMQEL-INIZCTEOSA-N 1 0 442.535 3.039 40 0 IGABRO COCCC(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000072399202 556971722 /nfs/dbraw/zinc/97/17/22/556971722.db2.gz DPWKUFAVZKRMKO-OAQYLSRUSA-N 1 0 444.620 3.272 40 0 IGABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)C1 ZINC000020106073 556982658 /nfs/dbraw/zinc/98/26/58/556982658.db2.gz ZQXNBZUGGGMBEY-GOSISDBHSA-N 1 0 441.597 3.372 40 0 IGABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2)C1 ZINC000020106075 556982718 /nfs/dbraw/zinc/98/27/18/556982718.db2.gz ZQXNBZUGGGMBEY-SFHVURJKSA-N 1 0 441.597 3.372 40 0 IGABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000585105986 557039212 /nfs/dbraw/zinc/03/92/12/557039212.db2.gz AJNSFKALZXYVIQ-LZQZEXGQSA-N 1 0 433.980 3.047 40 0 IGABRO CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106221 557039545 /nfs/dbraw/zinc/03/95/45/557039545.db2.gz XOTRNKIJKPNXSZ-QRQLOZEOSA-N 1 0 439.556 3.140 40 0 IGABRO Cc1noc(C)c1C(=O)NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@H+]12 ZINC000585110211 557043505 /nfs/dbraw/zinc/04/35/05/557043505.db2.gz XPRDSBVEBBUICZ-NHCUHLMSSA-N 1 0 445.523 3.110 40 0 IGABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000006193163 557148146 /nfs/dbraw/zinc/14/81/46/557148146.db2.gz JJSORGDCCGTEBY-OAQYLSRUSA-N 1 0 444.645 3.424 40 0 IGABRO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)c2cccs2)CC3)C1=O ZINC000096036479 557163449 /nfs/dbraw/zinc/16/34/49/557163449.db2.gz UTWLVNDBZUGNGU-XMMPIXPASA-N 1 0 438.597 3.120 40 0 IGABRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000096052903 557166480 /nfs/dbraw/zinc/16/64/80/557166480.db2.gz OPFUMBNQVVAIFY-GOSISDBHSA-N 1 0 425.598 3.477 40 0 IGABRO Cc1nc(-c2nc(C(=O)N3CCC[N@@H+](C)CC3)c3ccccn32)cn1Cc1ccccc1 ZINC000096155181 557179339 /nfs/dbraw/zinc/17/93/39/557179339.db2.gz DDJBFZJDHVFISZ-UHFFFAOYSA-N 1 0 428.540 3.332 40 0 IGABRO CC(C)CN1CC2(CC[NH+](Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263510 557190982 /nfs/dbraw/zinc/19/09/82/557190982.db2.gz ZUVFCQLZTQGVSX-UHFFFAOYSA-N 1 0 429.586 3.403 40 0 IGABRO COCCN1[C@H]2CC[N@H+](Cc3cccc(C)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263916 557191582 /nfs/dbraw/zinc/19/15/82/557191582.db2.gz SYJWKCCHLPSAIB-SFTDATJTSA-N 1 0 430.570 3.058 40 0 IGABRO Cc1cccc(C2(C(=O)N3CC[C@](O)(C[N@H+](C)Cc4ccc(F)cc4)C3)CCOCC2)c1 ZINC000585261870 557197387 /nfs/dbraw/zinc/19/73/87/557197387.db2.gz CTRKTSKJTRODFG-VWLOTQADSA-N 1 0 440.559 3.278 40 0 IGABRO C[NH+](C)CCOc1ccc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)[C@@](C)(O)C2)cc1 ZINC000585262237 557200818 /nfs/dbraw/zinc/20/08/18/557200818.db2.gz PMJFNWQISXIEDC-GMAHTHKFSA-N 1 0 432.948 3.325 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2cccc(C)c2)cc1 ZINC000010450049 557221896 /nfs/dbraw/zinc/22/18/96/557221896.db2.gz WTZXABNPVDQGLG-UHFFFAOYSA-N 1 0 429.586 3.101 40 0 IGABRO O[C@@]1(C[NH2+]C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CCN(c2ccnc3cccnc32)C1 ZINC000585285166 557224751 /nfs/dbraw/zinc/22/47/51/557224751.db2.gz WJPFEOOSQLYABN-QGUKFAFCSA-N 1 0 432.568 3.250 40 0 IGABRO CCOc1ccc(C[NH+]2CCC([C@@H](NC(=O)COC)c3ccccn3)CC2)cc1OC ZINC000057773995 557263587 /nfs/dbraw/zinc/26/35/87/557263587.db2.gz XIDQQCBTBYRSAS-XMMPIXPASA-N 1 0 427.545 3.205 40 0 IGABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)C1 ZINC000260561514 557264317 /nfs/dbraw/zinc/26/43/17/557264317.db2.gz IRNVURGTCHKHQH-IBGZPJMESA-N 1 0 429.586 3.364 40 0 IGABRO CC[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773642 557265774 /nfs/dbraw/zinc/26/57/74/557265774.db2.gz NMUPNGJJXVESJB-WTIAFYNJSA-N 1 0 437.584 3.111 40 0 IGABRO COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1F ZINC000023469518 557314627 /nfs/dbraw/zinc/31/46/27/557314627.db2.gz KGAHAPJBQZPTLT-AWEZNQCLSA-N 1 0 441.341 3.236 40 0 IGABRO C[NH+]1CCC(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000110025679 557347928 /nfs/dbraw/zinc/34/79/28/557347928.db2.gz BPJXALAFOWGGPY-UHFFFAOYSA-N 1 0 442.025 3.366 40 0 IGABRO COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223291862 557456556 /nfs/dbraw/zinc/45/65/56/557456556.db2.gz QGKMZRUXMWVSJS-FGZHOGPDSA-N 1 0 449.580 3.193 40 0 IGABRO CC(=O)Nc1ccc(S(=O)(=O)N2CCCC3=C[C@@H]4C[C@@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000169677602 557460537 /nfs/dbraw/zinc/46/05/37/557460537.db2.gz FXWWUJWKYUULRA-CQIJRDABSA-N 1 0 429.586 3.229 40 0 IGABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Br)c1OCC(N)=O ZINC000016688332 557475475 /nfs/dbraw/zinc/47/54/75/557475475.db2.gz DJRFEUAXYXEUMH-UHFFFAOYSA-N 1 0 437.334 3.053 40 0 IGABRO Fc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019332676 557499154 /nfs/dbraw/zinc/49/91/54/557499154.db2.gz FGLIEGHLOOBBOE-YADHBBJMSA-N 1 0 428.556 3.031 40 0 IGABRO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](CC)CC3)cc2c1 ZINC000019522966 557501466 /nfs/dbraw/zinc/50/14/66/557501466.db2.gz GPDKPDGPRQLMQV-QHCPKHFHSA-N 1 0 449.603 3.309 40 0 IGABRO COC(=O)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000223906226 557527451 /nfs/dbraw/zinc/52/74/51/557527451.db2.gz MQAHGWCVEFAFMC-UHFFFAOYSA-N 1 0 440.978 3.307 40 0 IGABRO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000224619258 557631608 /nfs/dbraw/zinc/63/16/08/557631608.db2.gz GYQYPZKGVXISDE-JOCHJYFZSA-N 1 0 429.586 3.143 40 0 IGABRO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224619503 557631867 /nfs/dbraw/zinc/63/18/67/557631867.db2.gz KLHZHOWWRVWNIM-HSZRJFAPSA-N 1 0 443.613 3.452 40 0 IGABRO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224630983 557633621 /nfs/dbraw/zinc/63/36/21/557633621.db2.gz PIYKINZLNIHLGN-QHCPKHFHSA-N 1 0 443.613 3.452 40 0 IGABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC000224639458 557634518 /nfs/dbraw/zinc/63/45/18/557634518.db2.gz NKGZXJMGJPPEHJ-UHFFFAOYSA-N 1 0 427.570 3.060 40 0 IGABRO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccccc1)S(C)(=O)=O ZINC000224655549 557636723 /nfs/dbraw/zinc/63/67/23/557636723.db2.gz XVTBWJBRPVLLSC-IBGZPJMESA-N 1 0 429.586 3.143 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1Cl ZINC000224764909 557649249 /nfs/dbraw/zinc/64/92/49/557649249.db2.gz DJEITJSOLKMDRO-UHFFFAOYSA-N 1 0 435.977 3.018 40 0 IGABRO Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000224772080 557650150 /nfs/dbraw/zinc/65/01/50/557650150.db2.gz WHKAUNDQVRISTG-FQEVSTJZSA-N 1 0 443.613 3.370 40 0 IGABRO CCCn1c2ccc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2sc1=O ZINC000225734191 557770470 /nfs/dbraw/zinc/77/04/70/557770470.db2.gz FSOWOIFTQWIGQW-UHFFFAOYSA-N 1 0 445.610 3.200 40 0 IGABRO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC 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/nfs/dbraw/zinc/71/07/13/568710713.db2.gz RMYJNYOXHMGMJH-MJGOQNOKSA-N 1 0 427.549 3.112 40 0 IGABRO O=C(CC[NH+]1CCCC1)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257315345 568717947 /nfs/dbraw/zinc/71/79/47/568717947.db2.gz VAXBFEYBUIEQSC-GMAHTHKFSA-N 1 0 427.589 3.171 40 0 IGABRO Cc1ncsc1C[N@@H+]1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306123331 568762463 /nfs/dbraw/zinc/76/24/63/568762463.db2.gz AKLRLEFIBGKIBZ-DENIHFKCSA-N 1 0 440.594 3.305 40 0 IGABRO Cc1ncsc1C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccsc1)C2=O ZINC000306123334 568762515 /nfs/dbraw/zinc/76/25/15/568762515.db2.gz AKLRLEFIBGKIBZ-UGKGYDQZSA-N 1 0 440.594 3.305 40 0 IGABRO C[NH+](C)[C@H]1CCN(C(=O)c2nc([C@H]3CCCN3C(=O)c3ccccc3)n3ccccc23)C1 ZINC000306136816 568769669 /nfs/dbraw/zinc/76/96/69/568769669.db2.gz QEBZGFIJQHCRLD-PZJWPPBQSA-N 1 0 431.540 3.088 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]2C3)cc1 ZINC000306138390 568770429 /nfs/dbraw/zinc/77/04/29/568770429.db2.gz RWKGAAYJFGYWED-DLBZAZTESA-N 1 0 437.931 3.497 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccc(Cl)cc4)C[C@H]2C3)cc1 ZINC000306138391 568770498 /nfs/dbraw/zinc/77/04/98/568770498.db2.gz RWKGAAYJFGYWED-IAGOWNOFSA-N 1 0 437.931 3.497 40 0 IGABRO CN1CCn2c(C(=O)NCC3CCCCC3)nnc2C12CC[NH+](Cc1ccccc1)CC2 ZINC000306141079 568771835 /nfs/dbraw/zinc/77/18/35/568771835.db2.gz VKYMCSKICIQXGO-UHFFFAOYSA-N 1 0 436.604 3.025 40 0 IGABRO O=C(NCCc1cccs1)c1nnc2n1CC1(C2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000306144632 568773914 /nfs/dbraw/zinc/77/39/14/568773914.db2.gz ZKLBYBLAXJCWTH-UHFFFAOYSA-N 1 0 439.560 3.290 40 0 IGABRO O=C1Nc2c(cccc2Cl)[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000101342873 568782119 /nfs/dbraw/zinc/78/21/19/568782119.db2.gz QXYIDKKHZBJMFP-WBYLCXCBSA-N 1 0 442.302 3.425 40 0 IGABRO Cc1cc(Br)cc(C)c1Nc1cc(-c2cccnc2)nc(NCC[NH+](C)C)n1 ZINC000329065866 568810956 /nfs/dbraw/zinc/81/09/56/568810956.db2.gz XVKSMXDBORQESV-UHFFFAOYSA-N 1 0 441.377 3.479 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)cc2F)cc(-c2ccccn2)n1 ZINC000329070670 568811257 /nfs/dbraw/zinc/81/12/57/568811257.db2.gz ZJRFBHFDVNNQKH-UHFFFAOYSA-N 1 0 431.313 3.001 40 0 IGABRO O=C(CCc1nc(-c2ccncc2)no1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199210 568921947 /nfs/dbraw/zinc/92/19/47/568921947.db2.gz WQOFROOHJBTXFK-BLRYILKCSA-N 1 0 433.556 3.486 40 0 IGABRO CCOc1ncc([C@]2(O)CC[C@@H]3C[N@H+](Cc4cc(C)ccc4OC)C[C@H]32)c(OCC)n1 ZINC000247937830 569206550 /nfs/dbraw/zinc/20/65/50/569206550.db2.gz SXPYBZZQDYHDFU-WSCWJOSJSA-N 1 0 427.545 3.321 40 0 IGABRO CCC(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000019498884 569226788 /nfs/dbraw/zinc/22/67/88/569226788.db2.gz KIMUWKWTVCEMJL-BVAGGSTKSA-N 1 0 438.568 3.401 40 0 IGABRO CC(C)(C)CC(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699452 569230603 /nfs/dbraw/zinc/23/06/03/569230603.db2.gz WTWGKTWBFOETMQ-UHFFFAOYSA-N 1 0 440.588 3.000 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3OC)[C@H]2c2ccc(C)cc2)cc1 ZINC000020058541 569240207 /nfs/dbraw/zinc/24/02/07/569240207.db2.gz AOHJAFNYOWCRJZ-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO Cc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1C ZINC000044871590 569249381 /nfs/dbraw/zinc/24/93/81/569249381.db2.gz PPLULLUMKDXMGR-HXUWFJFHSA-N 1 0 443.613 3.370 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000252516883 569288368 /nfs/dbraw/zinc/28/83/68/569288368.db2.gz XNGNUZWPYJRASA-KNKQGSTJSA-N 1 0 434.533 3.296 40 0 IGABRO COc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218109361 569456360 /nfs/dbraw/zinc/45/63/60/569456360.db2.gz FRTPTKAXFMZUJC-QTEQDKRBSA-N 1 0 446.569 3.166 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(F)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218658376 569458977 /nfs/dbraw/zinc/45/89/77/569458977.db2.gz XNGNUZWPYJRASA-CNNODRBYSA-N 1 0 434.533 3.296 40 0 IGABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218647659 569458984 /nfs/dbraw/zinc/45/89/84/569458984.db2.gz QSZSISYOCBVXGG-VIZSFHNOSA-N 1 0 430.570 3.411 40 0 IGABRO Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000242620230 569462077 /nfs/dbraw/zinc/46/20/77/569462077.db2.gz PZNWUMMNDSWCMW-ZRCGQRJVSA-N 1 0 430.570 3.465 40 0 IGABRO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](C2CCN(C(C)=O)CC2)C3)cc1 ZINC000096111885 291358756 /nfs/dbraw/zinc/35/87/56/291358756.db2.gz DAFRMPUMVADHBM-UPVQGACJSA-N 1 0 449.551 3.075 40 0 biogenic,in-vitro IGABRO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3CN2CCc3ccccc32)cc1 ZINC000008635720 291360255 /nfs/dbraw/zinc/36/02/55/291360255.db2.gz UEKHESCWLXFDCJ-BHDDXSALSA-N 1 0 425.598 3.046 40 0 biogenic,in-vitro IGABRO C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC1CCCCC1 ZINC000006198463 193891963 /nfs/dbraw/zinc/89/19/63/193891963.db2.gz TZQUOORTKWIXLG-UHFFFAOYSA-N 1 0 444.601 3.218 40 0 IGABRO COc1ccc2cc(CN(Cc3cccs3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1 ZINC000006198556 193892216 /nfs/dbraw/zinc/89/22/16/193892216.db2.gz IHXMABGNWCZGKJ-UHFFFAOYSA-N 1 0 444.626 3.427 40 0 IGABRO COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223291615 193963823 /nfs/dbraw/zinc/96/38/23/193963823.db2.gz LUOZKHLJLHMTKF-FGZHOGPDSA-N 1 0 449.580 3.193 40 0 IGABRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)C2 ZINC000022805053 520685295 /nfs/dbraw/zinc/68/52/95/520685295.db2.gz BZRSTTSQTVDAQJ-IWVMGURDSA-N 1 0 430.589 3.125 40 0 IGABRO Cc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000013674636 524892155 /nfs/dbraw/zinc/89/21/55/524892155.db2.gz QWTSHVFOXLFOEB-UHFFFAOYSA-N 1 0 437.993 3.220 40 0 IGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000070670115 526237621 /nfs/dbraw/zinc/23/76/21/526237621.db2.gz CCINPNZGQSKDQW-LABLHSEPSA-N 1 0 428.548 3.233 40 0 IGABRO O[C@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000041689849 526283234 /nfs/dbraw/zinc/28/32/34/526283234.db2.gz PATSINVCZKLCSB-QRUZDJRHSA-N 1 0 432.580 3.311 40 0 IGABRO C[NH+](C)CCNC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 ZINC000010111666 556325878 /nfs/dbraw/zinc/32/58/78/556325878.db2.gz GODJLYFWRDZHIB-UHFFFAOYSA-N 1 0 444.384 3.251 40 0 IGABRO Cc1cc(C)cc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000010450033 556335313 /nfs/dbraw/zinc/33/53/13/556335313.db2.gz UFSGIQCYXIZWNK-UHFFFAOYSA-N 1 0 429.586 3.101 40 0 IGABRO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000030754343 556504197 /nfs/dbraw/zinc/50/41/97/556504197.db2.gz SUFSBXVDGJBZTC-OYRHEFFESA-N 1 0 449.661 3.021 40 0 IGABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015139954 556506288 /nfs/dbraw/zinc/50/62/88/556506288.db2.gz GGSIRMSLOOGSGC-UHFFFAOYSA-N 1 0 441.597 3.387 40 0 IGABRO COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000030861704 556511424 /nfs/dbraw/zinc/51/14/24/556511424.db2.gz MFTDQQVCJKVFBK-UHFFFAOYSA-N 1 0 443.569 3.328 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000013631792 556539223 /nfs/dbraw/zinc/53/92/23/556539223.db2.gz QQZODYJUMAIKGV-UHFFFAOYSA-N 1 0 429.586 3.183 40 0 IGABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)C1 ZINC000044902058 556678176 /nfs/dbraw/zinc/67/81/76/556678176.db2.gz PRVHUJNHUUWZFW-BGYRXZFFSA-N 1 0 435.634 3.100 40 0 IGABRO COc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCN4C(=O)C(C)C)CC2)c1 ZINC000019085753 556699721 /nfs/dbraw/zinc/69/97/21/556699721.db2.gz TZEUDCAKDPQMKQ-RUZDIDTESA-N 1 0 437.584 3.486 40 0 IGABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCc2cccc3c2OCO3)CC1 ZINC000257216903 556703057 /nfs/dbraw/zinc/70/30/57/556703057.db2.gz CWPKJSGNIJRJDX-RUZDIDTESA-N 1 0 440.540 3.290 40 0 IGABRO O=C(CC1CCCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257332550 556705941 /nfs/dbraw/zinc/70/59/41/556705941.db2.gz XXUOAVGFKOZXQN-GNKBHMEESA-N 1 0 428.617 3.381 40 0 IGABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c(C)c1 ZINC000257338403 556706812 /nfs/dbraw/zinc/70/68/12/556706812.db2.gz YXGHFCNNSOWSCQ-QFIPXVFZSA-N 1 0 426.557 3.176 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000257224788 556708283 /nfs/dbraw/zinc/70/82/83/556708283.db2.gz FDIUXCHUXULCGC-VDKIKQQVSA-N 1 0 426.532 3.129 40 0 IGABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)c3ccc(F)cc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257246014 556711001 /nfs/dbraw/zinc/71/10/01/556711001.db2.gz ISBLYLRRTVMNSH-GNKBHMEESA-N 1 0 439.575 3.044 40 0 IGABRO Cc1ccn(C[C@@H](C)C(=O)NC2CC[NH+](Cc3cc(-c4ccccc4F)nn3C)CC2)n1 ZINC000019238012 556722866 /nfs/dbraw/zinc/72/28/66/556722866.db2.gz URRONVXSCRIRPF-QGZVFWFLSA-N 1 0 438.551 3.148 40 0 IGABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000019370536 556747763 /nfs/dbraw/zinc/74/77/63/556747763.db2.gz BJLGZTLZMLYDDH-XZOQPEGZSA-N 1 0 448.611 3.383 40 0 IGABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(Cc2ccccc2)CC1 ZINC000019370578 556747810 /nfs/dbraw/zinc/74/78/10/556747810.db2.gz CKWMPJGBGYXWIU-QHCPKHFHSA-N 1 0 448.611 3.240 40 0 IGABRO O=C(NCCCc1cn[nH]c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372553 556749023 /nfs/dbraw/zinc/74/90/23/556749023.db2.gz CSFKMDMPCNIXHR-DHIUTWEWSA-N 1 0 434.515 3.229 40 0 IGABRO O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019400160 556752883 /nfs/dbraw/zinc/75/28/83/556752883.db2.gz JEWDLFQPJHRDLS-FQEVSTJZSA-N 1 0 435.553 3.152 40 0 IGABRO COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)cc21 ZINC000019448395 556757918 /nfs/dbraw/zinc/75/79/18/556757918.db2.gz XKBPAEUHHMCFJJ-FQEVSTJZSA-N 1 0 435.528 3.416 40 0 IGABRO C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn43)cc2)C1 ZINC000019496521 556769151 /nfs/dbraw/zinc/76/91/51/556769151.db2.gz MNQYEGKQWCPDKG-AWEZNQCLSA-N 1 0 432.450 3.158 40 0 IGABRO COc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccccc3OC)cc2c1 ZINC000001224618 556769753 /nfs/dbraw/zinc/76/97/53/556769753.db2.gz ZKITVBUQKXYSLJ-UHFFFAOYSA-N 1 0 440.569 3.306 40 0 IGABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000019499330 556771202 /nfs/dbraw/zinc/77/12/02/556771202.db2.gz PCTXDFPXCDUXCF-FCHUYYIVSA-N 1 0 440.540 3.428 40 0 IGABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc(OC)cc2O3)cc1 ZINC000019499331 556771240 /nfs/dbraw/zinc/77/12/40/556771240.db2.gz HHJDTXGUTPFTRZ-YADHBBJMSA-N 1 0 440.540 3.428 40 0 IGABRO CCN(CC[NH+](C)C)c1nc(-c2ccncc2)nc2c1CN(Cc1ccc(OC)cc1)CC2 ZINC000019526592 556784853 /nfs/dbraw/zinc/78/48/53/556784853.db2.gz LAVUYZSNMKQZHA-UHFFFAOYSA-N 1 0 446.599 3.493 40 0 IGABRO CCOc1cc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)on1 ZINC000019532356 556792842 /nfs/dbraw/zinc/79/28/42/556792842.db2.gz DFCJLOMYMQKFTQ-IBGZPJMESA-N 1 0 443.548 3.022 40 0 IGABRO COc1ccc(OC)c([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cnn(C)c2C)c1 ZINC000019553508 556797291 /nfs/dbraw/zinc/79/72/91/556797291.db2.gz TXOIMJDZWHMXQN-XZOQPEGZSA-N 1 0 434.540 3.144 40 0 IGABRO Cc1ncsc1-c1cc(CN2CCC(NC(=O)C3CC[NH+](C(C)C)CC3)CC2)n(C)n1 ZINC000019562447 556803876 /nfs/dbraw/zinc/80/38/76/556803876.db2.gz PBIHBXFZKITRAN-UHFFFAOYSA-N 1 0 444.649 3.053 40 0 IGABRO COc1cccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C3CCCC3)CC4)C2)c1 ZINC000019564085 556804807 /nfs/dbraw/zinc/80/48/07/556804807.db2.gz DZHQLQYYACFZKO-SFHVURJKSA-N 1 0 436.556 3.050 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c1OC ZINC000019567751 556807969 /nfs/dbraw/zinc/80/79/69/556807969.db2.gz NRNYATRZMSDTNP-UKPHBRMFSA-N 1 0 425.455 3.495 40 0 IGABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000226721329 556808761 /nfs/dbraw/zinc/80/87/61/556808761.db2.gz OQBXJQCEXOYVTF-VRKOAZSQSA-N 1 0 430.589 3.125 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)NC[C@@H]1CCCO1 ZINC000004133698 556819498 /nfs/dbraw/zinc/81/94/98/556819498.db2.gz PXYNSERMPQTWLN-FQEVSTJZSA-N 1 0 430.618 3.034 40 0 IGABRO COCCc1ncc(C[NH+]2CCC(c3ccc(-c4ccc(C(N)=O)cc4)cn3)CC2)cn1 ZINC000019688075 556842705 /nfs/dbraw/zinc/84/27/05/556842705.db2.gz NMZZKCLYLYHDOH-UHFFFAOYSA-N 1 0 431.540 3.206 40 0 IGABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)c2cc(-c3ccccc3F)no2)n1 ZINC000019710005 556871828 /nfs/dbraw/zinc/87/18/28/556871828.db2.gz IFRAVKSJYPAWEM-OAHLLOKOSA-N 1 0 438.507 3.076 40 0 IGABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCOc2ccc(Cl)cc2)n1 ZINC000019710029 556871877 /nfs/dbraw/zinc/87/18/77/556871877.db2.gz LTWFHEOJJJYHFM-MRXNPFEDSA-N 1 0 431.968 3.091 40 0 IGABRO COc1ccc(CCCNc2nc(C3CC[NH+](C)CC3)nc3c2CN(C(C)=O)CC3)cc1 ZINC000019710514 556873692 /nfs/dbraw/zinc/87/36/92/556873692.db2.gz HJAZXOLKSMQRGE-UHFFFAOYSA-N 1 0 437.588 3.244 40 0 IGABRO Cc1nc(C2CCN(C(=O)CCC[NH+]3CCCC3)CC2)nc2c1CCC(=O)N2CC(C)C ZINC000019739264 556877282 /nfs/dbraw/zinc/87/72/82/556877282.db2.gz WSXSYXFMKHXJNL-UHFFFAOYSA-N 1 0 441.620 3.302 40 0 IGABRO Cc1nc([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753222 556896950 /nfs/dbraw/zinc/89/69/50/556896950.db2.gz GETPTKAIMIHJCW-INIZCTEOSA-N 1 0 427.936 3.102 40 0 IGABRO CC(=O)N1CCC([NH+]2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000019756590 556900479 /nfs/dbraw/zinc/90/04/79/556900479.db2.gz VCQAZTBIVNMMDY-UHFFFAOYSA-N 1 0 441.551 3.077 40 0 IGABRO O=C(NCCO)c1cc([C@@H]2CC[N@H+](Cc3cccc4ncccc34)C2)nc2ccccc21 ZINC000019761885 556905603 /nfs/dbraw/zinc/90/56/03/556905603.db2.gz TZMQUIACHNHAFS-LJQANCHMSA-N 1 0 426.520 3.495 40 0 IGABRO CC(C)c1ncc(C[N@@H+]2CC[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)cn1 ZINC000019761842 556905631 /nfs/dbraw/zinc/90/56/31/556905631.db2.gz YYUNTDMFGZPESX-LJQANCHMSA-N 1 0 433.556 3.202 40 0 IGABRO Cc1cccc(C[NH2+]CCc2nc(N3CCOCC3)ncc2C(=O)Nc2ccccc2)c1 ZINC000072352106 556923034 /nfs/dbraw/zinc/92/30/34/556923034.db2.gz YMMNIQGBMOCZNT-UHFFFAOYSA-N 1 0 431.540 3.206 40 0 IGABRO Cc1nc([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072354979 556930139 /nfs/dbraw/zinc/93/01/39/556930139.db2.gz ZHLDOPXDVITFKR-KRWDZBQOSA-N 1 0 441.963 3.348 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409056489 556934197 /nfs/dbraw/zinc/93/41/97/556934197.db2.gz RKNUALYCZDGZGX-WAUWHALJSA-O 1 0 432.475 3.159 40 0 IGABRO CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409057041 556934350 /nfs/dbraw/zinc/93/43/50/556934350.db2.gz GJBNZDXMNZEDMH-PKTZIBPZSA-O 1 0 447.946 3.422 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409057416 556934794 /nfs/dbraw/zinc/93/47/94/556934794.db2.gz PPICPMBXDKAPHS-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409057448 556934798 /nfs/dbraw/zinc/93/47/98/556934798.db2.gz QEWLJPQYQSNGMH-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000409058265 556935166 /nfs/dbraw/zinc/93/51/66/556935166.db2.gz KGEZFHMTIYYXCA-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000409058267 556935237 /nfs/dbraw/zinc/93/52/37/556935237.db2.gz KGEZFHMTIYYXCA-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccccc2Cl)cc1 ZINC000409058377 556935396 /nfs/dbraw/zinc/93/53/96/556935396.db2.gz MVKYVAZTAXCLOY-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409058895 556935852 /nfs/dbraw/zinc/93/58/52/556935852.db2.gz ZGCNVJFCOSHJGF-WAUWHALJSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C)cc1 ZINC000409058956 556936393 /nfs/dbraw/zinc/93/63/93/556936393.db2.gz ZYOPOTDHDXFJLO-WSBKAMHLSA-O 1 0 432.475 3.159 40 0 IGABRO Cc1nc(CN(C)C(=O)CCC[NH+]2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000072371000 556936979 /nfs/dbraw/zinc/93/69/79/556936979.db2.gz WANGHFJQAOOQLS-UHFFFAOYSA-N 1 0 435.572 3.099 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409054130 556938143 /nfs/dbraw/zinc/93/81/43/556938143.db2.gz MWPTUZBLXZPBBA-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409055675 556938822 /nfs/dbraw/zinc/93/88/22/556938822.db2.gz CZHZASLUVXQGAB-HTZJYPRQSA-O 1 0 428.512 3.328 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)c1 ZINC000409062017 556939626 /nfs/dbraw/zinc/93/96/26/556939626.db2.gz LVBAIXSSSOICPS-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000409062460 556940075 /nfs/dbraw/zinc/94/00/75/556940075.db2.gz VERUHBBJJCWTNT-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409066034 556941539 /nfs/dbraw/zinc/94/15/39/556941539.db2.gz GTEHCHFELCWGGQ-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO COc1cccc(CCCNc2nc([C@H]3CCC[N@H+](C)C3)nc3c2CCN(C(C)=O)C3)c1 ZINC000072373396 556946520 /nfs/dbraw/zinc/94/65/20/556946520.db2.gz RDMXSZOLJYWNJB-FQEVSTJZSA-N 1 0 437.588 3.244 40 0 IGABRO O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCO)CC1 ZINC000257233011 556984818 /nfs/dbraw/zinc/98/48/18/556984818.db2.gz GNIZGKCSBUPHPS-IYARVYRRSA-N 1 0 443.613 3.109 40 0 IGABRO COCCNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[NH2+]Cc2ccnn2C)CC1 ZINC000257242680 556986923 /nfs/dbraw/zinc/98/69/23/556986923.db2.gz IDRPGFBIVFPGPN-QAQDUYKDSA-N 1 0 441.601 3.470 40 0 IGABRO COc1ccc(-c2ccc3c(c2)C2(CN3C(=O)CCN3CC[NH+](C)CC3)CCOCC2)cc1 ZINC000585106210 557039481 /nfs/dbraw/zinc/03/94/81/557039481.db2.gz WXZDQBJALXBDLO-UHFFFAOYSA-N 1 0 449.595 3.395 40 0 IGABRO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000216249383 557141134 /nfs/dbraw/zinc/14/11/34/557141134.db2.gz BGTATPUVDXEKNH-NHCUHLMSSA-N 1 0 449.661 3.021 40 0 IGABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(C(=O)Nc1cccc(OC)c1)CC3 ZINC000096143886 557171247 /nfs/dbraw/zinc/17/12/47/557171247.db2.gz QPMZQUCLDZONHP-GBXCKJPGSA-N 1 0 428.577 3.129 40 0 IGABRO C[NH+](C)CCNC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000010111591 557203993 /nfs/dbraw/zinc/20/39/93/557203993.db2.gz FZSGIJNGKFIAMS-UHFFFAOYSA-N 1 0 437.565 3.374 40 0 IGABRO Cc1cc(O[C@H]2C[N@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc(C)c1C ZINC000585267888 557207232 /nfs/dbraw/zinc/20/72/32/557207232.db2.gz OYOYDJWSHNIQQX-DQEYMECFSA-N 1 0 438.568 3.237 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccccc2C)cc1 ZINC000010277437 557212535 /nfs/dbraw/zinc/21/25/35/557212535.db2.gz SKRVSKLVBUCQAW-UHFFFAOYSA-N 1 0 443.613 3.491 40 0 IGABRO CCc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000010450103 557221794 /nfs/dbraw/zinc/22/17/94/557221794.db2.gz HDCQTYUSMSBYBC-UHFFFAOYSA-N 1 0 429.586 3.046 40 0 IGABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000585286094 557225274 /nfs/dbraw/zinc/22/52/74/557225274.db2.gz VOUVKGQSEPKORN-UKILVPOCSA-N 1 0 442.987 3.233 40 0 IGABRO O[C@@]1(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287187 557225856 /nfs/dbraw/zinc/22/58/56/557225856.db2.gz KHOKBCASUUXWLH-IEZKXTBUSA-N 1 0 429.532 3.357 40 0 IGABRO COCCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000057774131 557264004 /nfs/dbraw/zinc/26/40/04/557264004.db2.gz YDBCOGUFWMEXNP-MBSDFSHPSA-N 1 0 427.545 3.205 40 0 IGABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)C1 ZINC000260566817 557291903 /nfs/dbraw/zinc/29/19/03/557291903.db2.gz XYVBCRVKVQCIOX-IBGZPJMESA-N 1 0 429.586 3.364 40 0 IGABRO CCOc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000023471953 557314970 /nfs/dbraw/zinc/31/49/70/557314970.db2.gz GWCXLQWCXSRTEY-INIZCTEOSA-N 1 0 437.378 3.487 40 0 IGABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1-c1nccs1 ZINC000223257088 557451643 /nfs/dbraw/zinc/45/16/43/557451643.db2.gz IVPSQRMKMBXMDP-RBUKOAKNSA-N 1 0 426.615 3.480 40 0 IGABRO COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223291993 557456538 /nfs/dbraw/zinc/45/65/38/557456538.db2.gz QGKMZRUXMWVSJS-FCHUYYIVSA-N 1 0 449.580 3.193 40 0 IGABRO COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223291675 557456551 /nfs/dbraw/zinc/45/65/51/557456551.db2.gz LUOZKHLJLHMTKF-YADHBBJMSA-N 1 0 449.580 3.193 40 0 IGABRO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Br)c1OCC(N)=O ZINC000016688334 557475473 /nfs/dbraw/zinc/47/54/73/557475473.db2.gz VYFJMEGVARTDRD-UHFFFAOYSA-N 1 0 425.298 3.183 40 0 IGABRO COc1cccc([C@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCCC3)CC2)c1OC ZINC000020139786 557515751 /nfs/dbraw/zinc/51/57/51/557515751.db2.gz MAAFEGGFRHXHRR-OAQYLSRUSA-N 1 0 442.608 3.485 40 0 IGABRO COc1ccccc1NC(=O)COc1ccc(Br)cc1C[NH2+]CCN(C)C ZINC000022942441 557528762 /nfs/dbraw/zinc/52/87/62/557528762.db2.gz ORDGVVMBHITJIM-UHFFFAOYSA-N 1 0 436.350 3.126 40 0 IGABRO Cc1c(Cl)cccc1N(CCCC(=O)NCCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000224420195 557604115 /nfs/dbraw/zinc/60/41/15/557604115.db2.gz QDPRFDHZYDWTJX-UHFFFAOYSA-N 1 0 430.014 3.187 40 0 IGABRO CCN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1)S(=O)(=O)CC ZINC000224513826 557615006 /nfs/dbraw/zinc/61/50/06/557615006.db2.gz MAROBQGHRBOJEO-UHFFFAOYSA-N 1 0 429.586 3.388 40 0 IGABRO Cc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1C ZINC000224655482 557636717 /nfs/dbraw/zinc/63/67/17/557636717.db2.gz RHAOXBUIFAPILW-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO Cc1c(Cl)cccc1N(CCCC(=O)NCCC[N@H+]1CCC[C@H](C)C1)S(C)(=O)=O ZINC000260746266 557852120 /nfs/dbraw/zinc/85/21/20/557852120.db2.gz VBMJJXKKRFRGSN-KRWDZBQOSA-N 1 0 444.041 3.433 40 0 IGABRO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260760802 557853588 /nfs/dbraw/zinc/85/35/88/557853588.db2.gz ACYXLMNPDYFEEE-WIYYLYMNSA-N 1 0 439.622 3.011 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000260846812 557861994 /nfs/dbraw/zinc/86/19/94/557861994.db2.gz ZVBCWSJUXFEJPR-IBGZPJMESA-N 1 0 439.622 3.012 40 0 IGABRO O=C1CCCN1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585270480 568616644 /nfs/dbraw/zinc/61/66/44/568616644.db2.gz DOALZYNJNHSOHJ-SANMLTNESA-N 1 0 438.568 3.484 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000260910231 568629299 /nfs/dbraw/zinc/62/92/99/568629299.db2.gz XJNRDXLYTJZKJF-RTWAWAEBSA-N 1 0 435.634 3.167 40 0 IGABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCN3CC[NH+](C)CC3)c1O)OC2(C)C ZINC000257223069 568675818 /nfs/dbraw/zinc/67/58/18/568675818.db2.gz DVTRXVMDCPGDHU-MISYRCLQSA-N 1 0 429.605 3.450 40 0 IGABRO CC(=O)Nc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@H](Cc3cccc4cccnc43)C2)cc1 ZINC000257225403 568676713 /nfs/dbraw/zinc/67/67/13/568676713.db2.gz FGAXLBNLEJFTQE-FQEVSTJZSA-N 1 0 445.567 3.238 40 0 IGABRO CC1(C)C=C(CC(=O)N2CCO[C@H](c3ccc(Nc4cnccn4)cn3)C2)CC(C)(C)[NH2+]1 ZINC000257241042 568684208 /nfs/dbraw/zinc/68/42/08/568684208.db2.gz HWJRUINPBQSARZ-FQEVSTJZSA-N 1 0 436.560 3.382 40 0 IGABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(S(=O)(=O)N4CCOCC4)C3)c2)cc1 ZINC000257243838 568685490 /nfs/dbraw/zinc/68/54/90/568685490.db2.gz IITOCFMPRRMHCE-LJQANCHMSA-N 1 0 430.574 3.198 40 0 IGABRO CCCn1c2ccc(NC(=O)C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cncnc3)cc2oc1=O ZINC000257243770 568685511 /nfs/dbraw/zinc/68/55/11/568685511.db2.gz IIMLKTDGACDNJY-SFHLNBCPSA-N 1 0 449.555 3.324 40 0 IGABRO COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H]([NH3+])CCSC)CC[C@H]3O[C@@H]21 ZINC000257266193 568695841 /nfs/dbraw/zinc/69/58/41/568695841.db2.gz MBYHPZOZRDKDSX-SEEKVXKWSA-N 1 0 434.602 3.241 40 0 IGABRO COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@H]([NH3+])CCSC)CC[C@H]3O[C@@H]21 ZINC000257266191 568695897 /nfs/dbraw/zinc/69/58/97/568695897.db2.gz MBYHPZOZRDKDSX-FXTJJVCJSA-N 1 0 434.602 3.241 40 0 IGABRO COc1cccc(C[C@H]2CC[C@@H]3C[N@H+](CC(=O)Nc4ccc5c(c4)oc(=O)n5C)C[C@H]23)c1 ZINC000257272731 568698935 /nfs/dbraw/zinc/69/89/35/568698935.db2.gz NDPJIUQELMHGBM-DBXWQHBBSA-N 1 0 435.524 3.279 40 0 IGABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)CC3CCCC3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257298292 568710705 /nfs/dbraw/zinc/71/07/05/568710705.db2.gz RLBPEKZVXRWCMB-GNKBHMEESA-N 1 0 427.633 3.172 40 0 IGABRO CC1CCN(c2ncc(C[N@@H+]3CC[C@@H](c4c5cccnc5sc4C(N)=O)C3)cn2)CC1 ZINC000257308400 568714882 /nfs/dbraw/zinc/71/48/82/568714882.db2.gz TWPLRSIEVYRWAJ-QGZVFWFLSA-N 1 0 436.585 3.411 40 0 IGABRO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3ccc4[nH]c(C)nc4c3)CC[C@H]21 ZINC000257327782 568723284 /nfs/dbraw/zinc/72/32/84/568723284.db2.gz XCSNYVUZPPZBQA-PQNGQFLHSA-N 1 0 431.540 3.146 40 0 IGABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc(OCc2ccccn2)c1 ZINC000257331587 568725176 /nfs/dbraw/zinc/72/51/76/568725176.db2.gz XTMZGIKUDCDIFC-VWLOTQADSA-N 1 0 430.552 3.093 40 0 IGABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133388 568767966 /nfs/dbraw/zinc/76/79/66/568767966.db2.gz MKBKOLOQFVZTGD-AHKZPQOWSA-N 1 0 442.563 3.491 40 0 IGABRO C[N@@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC000306134251 568768110 /nfs/dbraw/zinc/76/81/10/568768110.db2.gz NHBCXDJTYQXQIX-NRFANRHFSA-N 1 0 435.568 3.089 40 0 IGABRO CCn1cc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000306133943 568768137 /nfs/dbraw/zinc/76/81/37/568768137.db2.gz MZUVAXBPEAOBIO-RCZVLFRGSA-N 1 0 447.587 3.094 40 0 IGABRO Cc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)s1 ZINC000306140184 568771409 /nfs/dbraw/zinc/77/14/09/568771409.db2.gz UMJWDPZYGZCGQF-LADGPHEKSA-N 1 0 434.565 3.244 40 0 IGABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(c3ccccc3)CCc3nnc(C(=O)NC4CC4)n3C[C@H]12 ZINC000306141004 568771841 /nfs/dbraw/zinc/77/18/41/568771841.db2.gz VIQMDTKLBFKSNL-GBXCKJPGSA-N 1 0 448.596 3.094 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3nccs3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306142647 568772899 /nfs/dbraw/zinc/77/28/99/568772899.db2.gz XFLOQYHMFOJVGT-XXBNENTESA-N 1 0 436.585 3.334 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143827 568773383 /nfs/dbraw/zinc/77/33/83/568773383.db2.gz YNQANIFDPKKRRV-WIOPSUGQSA-N 1 0 430.556 3.272 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000329018352 568809409 /nfs/dbraw/zinc/80/94/09/568809409.db2.gz NQNJDPYNOKTDCX-UHFFFAOYSA-N 1 0 432.288 3.077 40 0 IGABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000019370563 569226674 /nfs/dbraw/zinc/22/66/74/569226674.db2.gz WBWDNJZROYXUKM-XZOQPEGZSA-N 1 0 448.611 3.240 40 0 IGABRO CCC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CCC[C@@](O)(c4ccccc4OC)C3)ccc21 ZINC000019498883 569226831 /nfs/dbraw/zinc/22/68/31/569226831.db2.gz KIMUWKWTVCEMJL-OZXSUGGESA-N 1 0 438.568 3.401 40 0 IGABRO COc1ccc(-c2nc(C3CC[NH+](C)CC3)[nH]c2C(=O)NCCc2c(C)noc2C)cc1 ZINC000019698722 569230164 /nfs/dbraw/zinc/23/01/64/569230164.db2.gz HOXUOPAKVSVEOT-UHFFFAOYSA-N 1 0 437.544 3.472 40 0 IGABRO Cc1nc([C@H]2CC[N@@H+](Cc3cc4ccccc4nc3N(C)C)C2)nc2c1CCC(=O)N2C ZINC000019738806 569236050 /nfs/dbraw/zinc/23/60/50/569236050.db2.gz ZEPWGIOEJYITQX-SFHVURJKSA-N 1 0 430.556 3.298 40 0 IGABRO Cc1nc([C@@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019757956 569237406 /nfs/dbraw/zinc/23/74/06/569237406.db2.gz FCCAHIMHUNFCEB-QGZVFWFLSA-N 1 0 441.963 3.493 40 0 IGABRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000008931731 569292585 /nfs/dbraw/zinc/29/25/85/569292585.db2.gz JVESHZXYSZWELV-QFIPXVFZSA-N 1 0 428.488 3.465 40 0 IGABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)N2CCN(C)CC2)Cc2cn(Cc3cccnc3)c3cccc1c23 ZINC000049171592 291354212 /nfs/dbraw/zinc/35/42/12/291354212.db2.gz NHPHVXDZZWUXGO-ZEQRLZLVSA-N 1 0 445.611 3.460 40 0 biogenic,in-vitro IGABRO CC1=C[C@@H](CNC(=O)NCc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+](C)C ZINC000030880305 291354694 /nfs/dbraw/zinc/35/46/94/291354694.db2.gz GMGVYGVZBBVUAN-VABKMULXSA-N 1 0 428.621 3.408 40 0 biogenic,in-vitro IGABRO CC1=C[C@@H](C[NH2+]CCN2CCNC2=O)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 ZINC000030882942 291355016 /nfs/dbraw/zinc/35/50/16/291355016.db2.gz UFHFWGAUUJLIDP-ACRUOGEOSA-N 1 0 438.576 3.144 40 0 biogenic,in-vitro IGABRO Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)[NH2+][C@H](C(=O)N2CCN(C)CC2)C3)no1 ZINC000049171918 291360075 /nfs/dbraw/zinc/36/00/75/291360075.db2.gz IBWSWWZTOPJDCR-GOTSBHOMSA-N 1 0 449.599 3.362 40 0 biogenic,in-vitro IGABRO CC[NH+](CC)Cc1c(C)onc1C(=O)N1CC[C@H](c2cc(C(=O)NC)c3ccccc3n2)C1 ZINC000019761144 193913362 /nfs/dbraw/zinc/91/33/62/193913362.db2.gz LWRGCOKRVBHIAJ-KRWDZBQOSA-N 1 0 449.555 3.362 40 0 IGABRO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000035843180 521731083 /nfs/dbraw/zinc/73/10/83/521731083.db2.gz WFDQUOKRUGEQJS-ZUVQJFRASA-N 1 0 429.520 3.149 40 0 IGABRO COc1ccccc1N1CC[NH+](C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689876 524557985 /nfs/dbraw/zinc/55/79/85/524557985.db2.gz OTOWMTLJJGEOJP-IEFUJUGPSA-N 1 0 444.616 3.180 40 0 IGABRO COc1ccc([C@@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)N2CCOCC2)cc1 ZINC000022756480 525187199 /nfs/dbraw/zinc/18/71/99/525187199.db2.gz QDHVRJOFGZJHSY-DNRSQYFGSA-N 1 0 440.584 3.113 40 0 IGABRO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844066 526213762 /nfs/dbraw/zinc/21/37/62/526213762.db2.gz KAGCDJKHLXHNNM-AGFSROSKSA-N 1 0 435.911 3.388 40 0 IGABRO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)N1)Nc1ccccc1 ZINC000020798998 526827492 /nfs/dbraw/zinc/82/74/92/526827492.db2.gz CHCPYYLXWLLQFV-HXUWFJFHSA-N 1 0 442.479 3.298 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)cc1 ZINC000010278576 556329491 /nfs/dbraw/zinc/32/94/91/556329491.db2.gz ZLUMAMUJOACDBL-UHFFFAOYSA-N 1 0 429.586 3.426 40 0 IGABRO O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039742291 556438170 /nfs/dbraw/zinc/43/81/70/556438170.db2.gz DQWLDBOOEKSXBW-UHFFFAOYSA-N 1 0 425.504 3.149 40 0 IGABRO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000030754350 556504168 /nfs/dbraw/zinc/50/41/68/556504168.db2.gz SUFSBXVDGJBZTC-SFTDATJTSA-N 1 0 449.661 3.021 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2cccc(Cl)c2C)cc1 ZINC000013646604 556543937 /nfs/dbraw/zinc/54/39/37/556543937.db2.gz RXZOKEDWEGCOGP-UHFFFAOYSA-N 1 0 437.993 3.220 40 0 IGABRO C[NH+](C)CCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013676665 556554512 /nfs/dbraw/zinc/55/45/12/556554512.db2.gz MIMFMRUUPUBNQG-UHFFFAOYSA-N 1 0 444.384 3.257 40 0 IGABRO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044873705 556673698 /nfs/dbraw/zinc/67/36/98/556673698.db2.gz NGCBIYOBRPQJFH-UHFFFAOYSA-N 1 0 429.586 3.063 40 0 IGABRO Cc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c(C)c1 ZINC000044873710 556673758 /nfs/dbraw/zinc/67/37/58/556673758.db2.gz YKLNINWOSBNPJE-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1 ZINC000257322472 556704536 /nfs/dbraw/zinc/70/45/36/556704536.db2.gz WGCRHMBDKIOMJE-DEOSSOPVSA-N 1 0 430.552 3.093 40 0 IGABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCCOc2ccccc2)CC1 ZINC000257237889 556710047 /nfs/dbraw/zinc/71/00/47/556710047.db2.gz HIRVHPXNSBQTAO-RUZDIDTESA-N 1 0 426.557 3.440 40 0 IGABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)c1ccc(F)cc1 ZINC000257305666 556717847 /nfs/dbraw/zinc/71/78/47/556717847.db2.gz SQYHIJYISBFXTN-GNKBHMEESA-N 1 0 440.559 3.254 40 0 IGABRO COc1c(C)cccc1C[N@@H+]1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCC3)n2)C1 ZINC000019236011 556720529 /nfs/dbraw/zinc/72/05/29/556720529.db2.gz CVFKKYUDQNRZAL-SFTDATJTSA-N 1 0 437.588 3.134 40 0 IGABRO Cn1c2ccc(C[N@@H+]3CCC[C@@H](c4cc(=O)[nH]c(-c5cccs5)n4)C3)cc2n(C)c1=O ZINC000019289795 556729650 /nfs/dbraw/zinc/72/96/50/556729650.db2.gz VCVGEAVBKNLKNE-MRXNPFEDSA-N 1 0 435.553 3.068 40 0 IGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000019293847 556733298 /nfs/dbraw/zinc/73/32/98/556733298.db2.gz MEQNRTKQTRVHOE-JOCHJYFZSA-N 1 0 436.535 3.409 40 0 IGABRO O=C(c1cccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019337652 556738985 /nfs/dbraw/zinc/73/89/85/556738985.db2.gz KNQYOBBTZZZJTK-QFIPXVFZSA-N 1 0 435.572 3.471 40 0 IGABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(I)cc1 ZINC000000889944 556739384 /nfs/dbraw/zinc/73/93/84/556739384.db2.gz CWJJQRZODLYTDQ-OAHLLOKOSA-N 1 0 437.301 3.073 40 0 IGABRO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019370592 556747857 /nfs/dbraw/zinc/74/78/57/556747857.db2.gz AQFXCWWCDGVMGY-QHCPKHFHSA-N 1 0 448.611 3.240 40 0 IGABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019370987 556748481 /nfs/dbraw/zinc/74/84/81/556748481.db2.gz OQBXJQCEXOYVTF-BBLPPJRLSA-N 1 0 430.589 3.125 40 0 IGABRO O=C(NCc1cccs1)c1ccc2c(c1)nc1n(c2=O)CC[N@H+](Cc2ccccc2)CC1 ZINC000019372433 556748812 /nfs/dbraw/zinc/74/88/12/556748812.db2.gz CTEUMYIGWPRYNQ-UHFFFAOYSA-N 1 0 444.560 3.446 40 0 IGABRO O=C(CCCn1ccnc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019403590 556754172 /nfs/dbraw/zinc/75/41/72/556754172.db2.gz ZKJDPGMDPBGRMP-NRFANRHFSA-N 1 0 438.576 3.213 40 0 IGABRO O=C1CCCN1c1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1 ZINC000019402915 556754293 /nfs/dbraw/zinc/75/42/93/556754293.db2.gz QVSZGNDGBHUWGQ-UHFFFAOYSA-N 1 0 429.524 3.338 40 0 IGABRO CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(N(C)C)cc3)[nH]c2=O)C1 ZINC000019448341 556757450 /nfs/dbraw/zinc/75/74/50/556757450.db2.gz RSGZFYSHCFIBBT-QFIPXVFZSA-N 1 0 437.588 3.311 40 0 IGABRO COc1ccc2cc(C(=O)N3CCC[C@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)[nH]c2c1 ZINC000019448411 556758107 /nfs/dbraw/zinc/75/81/07/556758107.db2.gz ZNLLNEQJAKADKP-NRFANRHFSA-N 1 0 435.528 3.416 40 0 IGABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2F)C[C@H]1c1ccnc(N2CCCCC2)n1 ZINC000019449990 556760772 /nfs/dbraw/zinc/76/07/72/556760772.db2.gz JKTASVMBWTZRKF-WOJBJXKFSA-N 1 0 443.542 3.485 40 0 IGABRO C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019496356 556769059 /nfs/dbraw/zinc/76/90/59/556769059.db2.gz NJMOLRQUPLKFOP-AWEZNQCLSA-N 1 0 432.450 3.301 40 0 IGABRO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497858 556770231 /nfs/dbraw/zinc/77/02/31/556770231.db2.gz KZGJRDISBGFNIZ-MHECFPHRSA-N 1 0 428.598 3.385 40 0 IGABRO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(O)(c4ccccc4OC)CC3)ccc21 ZINC000019498877 556770645 /nfs/dbraw/zinc/77/06/45/556770645.db2.gz NZZUNHVJIFFLSJ-QHCPKHFHSA-N 1 0 438.568 3.401 40 0 IGABRO CCN(CC[NH+](C)C)c1nc(-c2ccncc2)nc2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000019526594 556784949 /nfs/dbraw/zinc/78/49/49/556784949.db2.gz JYNPVGFRGPDWJV-UHFFFAOYSA-N 1 0 446.599 3.493 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc(OC)c1OC ZINC000019549803 556794970 /nfs/dbraw/zinc/79/49/70/556794970.db2.gz KIGKGCMFWIBDLT-OAHLLOKOSA-N 1 0 429.546 3.340 40 0 IGABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 ZINC000019551493 556795701 /nfs/dbraw/zinc/79/57/01/556795701.db2.gz CZKFAEYRVOYFPS-SANMLTNESA-N 1 0 446.551 3.471 40 0 IGABRO COc1ccc(CNC(=O)C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000001380631 556796972 /nfs/dbraw/zinc/79/69/72/556796972.db2.gz ZRBZSAZNVIIHFG-UHFFFAOYSA-N 1 0 447.461 3.412 40 0 IGABRO Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C2CCCCC2)CC3)cnn1C ZINC000019553348 556797361 /nfs/dbraw/zinc/79/73/61/556797361.db2.gz BLUBLLKWSQIERK-OAQYLSRUSA-N 1 0 438.576 3.282 40 0 IGABRO Cc1nc2ccccn2c1C[NH+]1CCC(c2cc(C(=O)NCc3cccnc3)on2)CC1 ZINC000019554931 556798426 /nfs/dbraw/zinc/79/84/26/556798426.db2.gz BRBNKRPWLFHWOM-UHFFFAOYSA-N 1 0 430.512 3.335 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN4C(=O)c4ccncc4)[nH]c(=O)c3C2)cc1 ZINC000019555534 556798796 /nfs/dbraw/zinc/79/87/96/556798796.db2.gz YGTPUNJXFOOHSL-JOCHJYFZSA-N 1 0 445.523 3.121 40 0 IGABRO COc1cccc2ccc(C[NH+]3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)nc21 ZINC000019568418 556808030 /nfs/dbraw/zinc/80/80/30/556808030.db2.gz WURWJTHLFINQIY-HSZRJFAPSA-N 1 0 438.553 3.186 40 0 IGABRO Cc1occc1-c1nc(N2CCC(CC[NH+]3CCOCC3)CC2)ncc1-c1cnccn1 ZINC000019583034 556820752 /nfs/dbraw/zinc/82/07/52/556820752.db2.gz YWKLUSGVITVSGS-UHFFFAOYSA-N 1 0 434.544 3.441 40 0 IGABRO Cc1ccc2cc(CN(Cc3cccnc3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2c1C ZINC000006410253 556835382 /nfs/dbraw/zinc/83/53/82/556835382.db2.gz NAOQKTWKIAYPGH-UHFFFAOYSA-N 1 0 437.613 3.368 40 0 IGABRO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@@H+](C)Cc3ccc(-c4ccccn4)cc3)cc2)C1 ZINC000019699214 556858305 /nfs/dbraw/zinc/85/83/05/556858305.db2.gz WMWRXPMJMRTPRF-RPBOFIJWSA-N 1 0 442.563 3.428 40 0 IGABRO CS(=O)(=O)N1CCC(c2ccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cn2)CC1 ZINC000019708056 556868161 /nfs/dbraw/zinc/86/81/61/556868161.db2.gz MZPPIDLPDHTHTH-UHFFFAOYSA-N 1 0 442.585 3.069 40 0 IGABRO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 ZINC000019708116 556868187 /nfs/dbraw/zinc/86/81/87/556868187.db2.gz UPEUHYWKHXTOJX-JOCHJYFZSA-N 1 0 449.599 3.443 40 0 IGABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(NCCCN(C)c3ccccc3)c2C1 ZINC000019711329 556875548 /nfs/dbraw/zinc/87/55/48/556875548.db2.gz IXHKJUNEHUKDRT-HXUWFJFHSA-N 1 0 436.604 3.129 40 0 IGABRO Cc1nc(C2CC[NH+](Cc3cccnc3N(C)C)CC2)nc2c1CCC(=O)N2CC1CC1 ZINC000019739356 556877472 /nfs/dbraw/zinc/87/74/72/556877472.db2.gz FOYWBFHGAWOUOU-UHFFFAOYSA-N 1 0 434.588 3.315 40 0 IGABRO Cc1ncsc1C(=O)N1CCCC[C@H]1C1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000019746402 556892268 /nfs/dbraw/zinc/89/22/68/556892268.db2.gz QUADXNRUGAZRFT-IBGZPJMESA-N 1 0 428.606 3.214 40 0 IGABRO CNC(=O)c1cn(C)nc1CC1CC[NH+](Cc2c(C)nn(-c3ccccc3C)c2C)CC1 ZINC000019756635 556900516 /nfs/dbraw/zinc/90/05/16/556900516.db2.gz HNWGYXMVXKLEAI-UHFFFAOYSA-N 1 0 434.588 3.345 40 0 IGABRO Cc1ccc(C(=O)N2CCC[C@H]2c2nc(C[NH+](C)C)cc(N(C)C)n2)cc1N1CCCC1 ZINC000019760700 556904053 /nfs/dbraw/zinc/90/40/53/556904053.db2.gz GWKZWUZHKIYFMY-NRFANRHFSA-N 1 0 436.604 3.490 40 0 IGABRO CCn1c2ccc(C[N@@H+]3CC[C@H](c4cc(C(N)=O)c5ccccc5n4)C3)cc2n(CC)c1=O ZINC000019761748 556905218 /nfs/dbraw/zinc/90/52/18/556905218.db2.gz YWCREVNYQQPKIZ-SFHVURJKSA-N 1 0 443.551 3.479 40 0 IGABRO Cc1c(C[NH+]2CCC(O)(c3cccnc3F)CC2)c2ccccc2n1CC(=O)NC1CC1 ZINC000072340003 556911960 /nfs/dbraw/zinc/91/19/60/556911960.db2.gz BSXIYVHPTVPUFU-UHFFFAOYSA-N 1 0 436.531 3.246 40 0 IGABRO O=C1NC(=O)C2(CC[NH+](CCCN3C(=O)c4ccccc4C3=O)CC2)[C@@H]1c1ccccc1 ZINC000072341663 556914098 /nfs/dbraw/zinc/91/40/98/556914098.db2.gz GZDQIEMIVXFUEN-HXUWFJFHSA-N 1 0 431.492 3.035 40 0 IGABRO CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3ccccc3OC)CC2)o1 ZINC000072344901 556915870 /nfs/dbraw/zinc/91/58/70/556915870.db2.gz DCDDWUXFHLBDEG-LJQANCHMSA-N 1 0 448.589 3.335 40 0 IGABRO CC(=O)N1CCO[C@@H](c2c3ccccc3sc2C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000072356332 556930981 /nfs/dbraw/zinc/93/09/81/556930981.db2.gz WCXMFHVKNVDCNQ-LJQANCHMSA-N 1 0 429.586 3.235 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409055982 556933846 /nfs/dbraw/zinc/93/38/46/556933846.db2.gz LVDWCUXVNKJAJC-WYAYVQQHSA-O 1 0 432.475 3.241 40 0 IGABRO CN(C)c1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409057035 556934367 /nfs/dbraw/zinc/93/43/67/556934367.db2.gz GJBNZDXMNZEDMH-DHIUTWEWSA-O 1 0 447.946 3.422 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 ZINC000409057596 556934837 /nfs/dbraw/zinc/93/48/37/556934837.db2.gz HMTFYECBWDGRKM-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccc(C)cc1 ZINC000409059547 556936869 /nfs/dbraw/zinc/93/68/69/556936869.db2.gz RZVYGYKZOBGOTG-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(C)cc2)c1 ZINC000409060678 556937573 /nfs/dbraw/zinc/93/75/73/556937573.db2.gz SQURKYZGYLIDEP-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000409055775 556939159 /nfs/dbraw/zinc/93/91/59/556939159.db2.gz BBBXDKNDZVLJKG-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409068059 556942571 /nfs/dbraw/zinc/94/25/71/556942571.db2.gz JXGXPBMDHJJPSV-WSBKAMHLSA-O 1 0 432.475 3.159 40 0 IGABRO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373053 556945435 /nfs/dbraw/zinc/94/54/35/556945435.db2.gz BHBSLIMPKSRXNY-YADHBBJMSA-N 1 0 434.584 3.165 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 ZINC000409072849 556946440 /nfs/dbraw/zinc/94/64/40/556946440.db2.gz SQNQPLYQSJPUJY-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO COc1cccc(CCCNc2nc([C@@H]3CCC[N@H+](C)C3)nc3c2CCN(C(C)=O)C3)c1 ZINC000072373395 556946571 /nfs/dbraw/zinc/94/65/71/556946571.db2.gz RDMXSZOLJYWNJB-HXUWFJFHSA-N 1 0 437.588 3.244 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3nccs3)n2)ccc1OCC(N)=O ZINC000072375747 556952888 /nfs/dbraw/zinc/95/28/88/556952888.db2.gz BHAUKURACNTHDQ-QGZVFWFLSA-N 1 0 439.541 3.492 40 0 IGABRO Cc1cc(C[N@@H+]2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)c(C)n1C[C@@H]1CCCO1 ZINC000072389582 556959709 /nfs/dbraw/zinc/95/97/09/556959709.db2.gz HVBOCUMJMIUQOW-UWJYYQICSA-N 1 0 439.604 3.162 40 0 IGABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 ZINC000072394869 556966212 /nfs/dbraw/zinc/96/62/12/556966212.db2.gz QJGDJMGWLHRFTJ-ZEQRLZLVSA-N 1 0 449.595 3.256 40 0 IGABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCC3)C4)C2)CC1 ZINC000257300606 557000630 /nfs/dbraw/zinc/00/06/30/557000630.db2.gz RVARIKQFKGPQMK-LNLFQRSKSA-N 1 0 428.577 3.004 40 0 IGABRO COCC[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(OC)cc(OC)c1)CC2)C(C)C ZINC000585103032 557037127 /nfs/dbraw/zinc/03/71/27/557037127.db2.gz BKTCTOZVRXKVJG-QFIPXVFZSA-N 1 0 434.577 3.072 40 0 IGABRO COc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCc3cc(F)cc(F)c3)C2)cc1C ZINC000585109521 557041778 /nfs/dbraw/zinc/04/17/78/557041778.db2.gz VTBABTGMNNYHGP-QIJUGHKUSA-N 1 0 445.510 3.220 40 0 IGABRO COc1ccc(OCC(=O)N2CCc3[nH]nc(-c4cccc5c4C[N@H+](C)C5)c3CC2)cc1 ZINC000585110294 557043311 /nfs/dbraw/zinc/04/33/11/557043311.db2.gz AFSOWRCOCUECLY-UHFFFAOYSA-N 1 0 432.524 3.037 40 0 IGABRO CCc1ccc(NC(=O)CN2C[C@]3(NC(C)=O)C[N@H+](C)CC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000585262204 557201148 /nfs/dbraw/zinc/20/11/48/557201148.db2.gz OURMQKUTBAPNLX-LGPLSSKUSA-N 1 0 434.584 3.071 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1cc(Cl)ccc1Cl ZINC000010111204 557203985 /nfs/dbraw/zinc/20/39/85/557203985.db2.gz BNVMYJUVTHEEEC-UHFFFAOYSA-N 1 0 436.405 3.142 40 0 IGABRO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@](O)(COc2ccc(C)cc2C)CC1 ZINC000585274090 557218410 /nfs/dbraw/zinc/21/84/10/557218410.db2.gz RAORFBYDNYGNBC-VWLOTQADSA-N 1 0 426.557 3.224 40 0 IGABRO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000219223029 557231876 /nfs/dbraw/zinc/23/18/76/557231876.db2.gz HDJOISVWLRXEKI-UHFFFAOYSA-N 1 0 429.542 3.087 40 0 IGABRO CC(=O)OCC1(CC(=O)N2CCOCC2)CC[NH+](Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000585293958 557233851 /nfs/dbraw/zinc/23/38/51/557233851.db2.gz DXFZZNHMUAGPDB-UHFFFAOYSA-N 1 0 445.535 3.010 40 0 IGABRO COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000057671057 557256874 /nfs/dbraw/zinc/25/68/74/557256874.db2.gz NZHOHWSINPTXPQ-HSZRJFAPSA-N 1 0 436.560 3.258 40 0 IGABRO COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1F ZINC000023469516 557314753 /nfs/dbraw/zinc/31/47/53/557314753.db2.gz KGAHAPJBQZPTLT-CQSZACIVSA-N 1 0 441.341 3.236 40 0 IGABRO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000033862619 557373885 /nfs/dbraw/zinc/37/38/85/557373885.db2.gz CAJNLWNSIOWMER-MASGSYHESA-N 1 0 449.938 3.494 40 0 IGABRO CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CCC[NH+]2CCOCC2)c1C ZINC000222779318 557386267 /nfs/dbraw/zinc/38/62/67/557386267.db2.gz DGOLABNWHSJKKD-FCHUYYIVSA-N 1 0 427.618 3.215 40 0 IGABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1cccnc1 ZINC000223256538 557451558 /nfs/dbraw/zinc/45/15/58/557451558.db2.gz OISSWFRBHRPMIA-PKTZIBPZSA-N 1 0 434.613 3.477 40 0 IGABRO COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c1 ZINC000223291781 557456581 /nfs/dbraw/zinc/45/65/81/557456581.db2.gz LUOZKHLJLHMTKF-VXKWHMMOSA-N 1 0 449.580 3.193 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000019527913 557501780 /nfs/dbraw/zinc/50/17/80/557501780.db2.gz FFTCNWCQNMOBQA-HSZRJFAPSA-N 1 0 449.603 3.364 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000019527964 557501794 /nfs/dbraw/zinc/50/17/94/557501794.db2.gz DTLVKZDVZZSFSR-QHCPKHFHSA-N 1 0 449.603 3.364 40 0 IGABRO Clc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140787 557516022 /nfs/dbraw/zinc/51/60/22/557516022.db2.gz BMFJJYUOOXTTKS-NHCUHLMSSA-N 1 0 430.984 3.155 40 0 IGABRO Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1C ZINC000224606322 557630128 /nfs/dbraw/zinc/63/01/28/557630128.db2.gz XZNXYMQDOPOONP-FQEVSTJZSA-N 1 0 443.613 3.370 40 0 IGABRO Cc1cccc(C)c1N(CC(=O)NCc1cccc(C[NH+]2CCCCC2)c1)S(C)(=O)=O ZINC000224655118 557636721 /nfs/dbraw/zinc/63/67/21/557636721.db2.gz BFPAWBFIUPMCEW-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO Cc1cc(C)cc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000224813585 557654558 /nfs/dbraw/zinc/65/45/58/557654558.db2.gz JJSBQYAHVVSUHG-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO Cc1cccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000224813307 557654603 /nfs/dbraw/zinc/65/46/03/557654603.db2.gz KCUSBXUPRQBMLQ-UHFFFAOYSA-N 1 0 429.586 3.063 40 0 IGABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 ZINC000225571512 557744651 /nfs/dbraw/zinc/74/46/51/557744651.db2.gz XFYPSBLGOHZQJY-UHFFFAOYSA-N 1 0 443.569 3.196 40 0 IGABRO COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)CC1 ZINC000061997561 557830034 /nfs/dbraw/zinc/83/00/34/557830034.db2.gz ZXBPYNJHTIRHRM-JSAIXHEHSA-N 1 0 440.584 3.102 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1OCCn1ccnc1 ZINC000585270700 568617262 /nfs/dbraw/zinc/61/72/62/568617262.db2.gz IDULBBIMZKWXJZ-RUZDIDTESA-N 1 0 437.540 3.377 40 0 IGABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)COCCN4CCCC4=O)C3)c2)cc1 ZINC000257234964 568681278 /nfs/dbraw/zinc/68/12/78/568681278.db2.gz GVUPPWFEZUIHJY-HXUWFJFHSA-N 1 0 436.556 3.397 40 0 IGABRO c1cn2nc(C[C@H]3COCC[N@@H+](Cc4cccc(OCc5ccccn5)c4)C3)ccc2n1 ZINC000257237736 568682782 /nfs/dbraw/zinc/68/27/82/568682782.db2.gz HHXLSHQKIOAEGP-OAQYLSRUSA-N 1 0 429.524 3.394 40 0 IGABRO c1cn2cc(C[C@@H]3COCC[N@@H+](Cc4ccccc4OCc4cccnc4)C3)ncc2n1 ZINC000257261622 568693998 /nfs/dbraw/zinc/69/39/98/568693998.db2.gz LIDGNIJELDCECE-NRFANRHFSA-N 1 0 429.524 3.394 40 0 IGABRO CCc1nnc(Nc2cccc([C@H]3CN(C(=O)C4CC[NH+](C(C)C)CC4)CCO3)n2)s1 ZINC000257263639 568695005 /nfs/dbraw/zinc/69/50/05/568695005.db2.gz LQVGFUUIHAZCQO-GOSISDBHSA-N 1 0 444.605 3.259 40 0 IGABRO CC(=O)N1CC[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257307514 568714423 /nfs/dbraw/zinc/71/44/23/568714423.db2.gz SYZCGMNSRWCWRM-OAQYLSRUSA-N 1 0 444.583 3.148 40 0 IGABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257311429 568715983 /nfs/dbraw/zinc/71/59/83/568715983.db2.gz UJKNXODEWYLBHK-FQEVSTJZSA-N 1 0 426.536 3.013 40 0 IGABRO C[N@H+](Cc1ccc(C(C)(C)C)cc1OCC(N)=O)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257327017 568723142 /nfs/dbraw/zinc/72/31/42/568723142.db2.gz WZNOENQNXYRBFN-PQNGQFLHSA-N 1 0 441.572 3.036 40 0 IGABRO COc1ccc(C[NH+]2CCC3(CC2)CN(C)Cc2nnc(-c4ccc(OC)cc4)n23)cc1 ZINC000306124213 568763222 /nfs/dbraw/zinc/76/32/22/568763222.db2.gz BJMGCSAEHJHTPJ-UHFFFAOYSA-N 1 0 433.556 3.399 40 0 IGABRO Cc1ccsc1C[N@@H+]1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126489 568764156 /nfs/dbraw/zinc/76/41/56/568764156.db2.gz DXLMVBOELGXHOX-XUZZJYLKSA-N 1 0 434.565 3.244 40 0 IGABRO O=C(NC1CCCCC1)c1nnc2n1CC1(CC[NH+](Cc3ccsc3)CC1)COC2 ZINC000306128708 568765384 /nfs/dbraw/zinc/76/53/84/568765384.db2.gz HITHPVRCOAOKEA-UHFFFAOYSA-N 1 0 429.590 3.215 40 0 IGABRO CCCN(CC1CC1)C(=O)[C@H]1CCc2nnc(C3CC[NH+](Cc4cccnc4)CC3)n2C1 ZINC000306132976 568767691 /nfs/dbraw/zinc/76/76/91/568767691.db2.gz LXWPEXAEICDCIJ-QFIPXVFZSA-N 1 0 436.604 3.264 40 0 IGABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000306134426 568768420 /nfs/dbraw/zinc/76/84/20/568768420.db2.gz NMVXKWZSOJNYKY-UHFFFAOYSA-N 1 0 436.491 3.053 40 0 IGABRO COc1ccc(CN2C[C@]3(CC[N@@H+](C4CCC4)C3)Oc3ccccc3S2(=O)=O)cc1 ZINC000306135821 568769237 /nfs/dbraw/zinc/76/92/37/568769237.db2.gz PCBLVFHLYHELBI-HSZRJFAPSA-N 1 0 428.554 3.276 40 0 IGABRO CCc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137483 568770267 /nfs/dbraw/zinc/77/02/67/568770267.db2.gz QXMUHQAWHPXKMZ-BDYUSTAISA-N 1 0 442.563 3.436 40 0 IGABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)s1 ZINC000306138620 568770709 /nfs/dbraw/zinc/77/07/09/568770709.db2.gz SCISQOSKZZOLJG-WMZHIEFXSA-N 1 0 425.602 3.091 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)n1 ZINC000328974790 568808229 /nfs/dbraw/zinc/80/82/29/568808229.db2.gz FGOOWIGQICMANY-UHFFFAOYSA-N 1 0 441.377 3.121 40 0 IGABRO COc1ccc(COC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1OC ZINC000026781579 568862864 /nfs/dbraw/zinc/86/28/64/568862864.db2.gz JGWVPQSUPOJQMA-FQEVSTJZSA-N 1 0 434.964 3.365 40 0 IGABRO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000103507555 568897087 /nfs/dbraw/zinc/89/70/87/568897087.db2.gz WFDQUOKRUGEQJS-BILGYAHESA-N 1 0 429.520 3.149 40 0 IGABRO O=C(COc1ccc2c(c1)NC(=O)CC2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198779 568921673 /nfs/dbraw/zinc/92/16/73/568921673.db2.gz IBWLJIVHSUCLKY-QEUIGEMPSA-N 1 0 435.568 3.372 40 0 IGABRO Cc1nn2cnnc2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198520 568921714 /nfs/dbraw/zinc/92/17/14/568921714.db2.gz BFAURSZAVUNUMG-MNHFLQJXSA-N 1 0 434.588 3.095 40 0 IGABRO O=C(COc1ccc2c(c1)NC(=O)CC2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198780 568921730 /nfs/dbraw/zinc/92/17/30/568921730.db2.gz IBWLJIVHSUCLKY-XBLPNDSKSA-N 1 0 435.568 3.372 40 0 IGABRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063546 569219984 /nfs/dbraw/zinc/21/99/84/569219984.db2.gz YXJFWFXIOPAPSY-UHFFFAOYSA-N 1 0 430.476 3.480 40 0 IGABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@@H](C)C1 ZINC000019527036 569226782 /nfs/dbraw/zinc/22/67/82/569226782.db2.gz KSIYVZAIKRPLAT-ICSRJNTNSA-N 1 0 435.634 3.207 40 0 IGABRO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)[N@H+]2Cc2ccnc(N3CCCC3)n2)N1 ZINC000019713943 569235769 /nfs/dbraw/zinc/23/57/69/569235769.db2.gz ZYKVKDNXWFDCIV-XPWALMASSA-N 1 0 437.563 3.460 40 0 IGABRO CNc1cc(C[NH+](C)C)nc([C@H]2CCCN2C(=O)CCc2cc3c(cc2OC)CCC3)n1 ZINC000019759173 569237452 /nfs/dbraw/zinc/23/74/52/569237452.db2.gz UDQMGQGBPQOXRK-OAQYLSRUSA-N 1 0 437.588 3.374 40 0 IGABRO Cc1nc([C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763225 569237925 /nfs/dbraw/zinc/23/79/25/569237925.db2.gz IBRKODBWAYEIGA-JOCHJYFZSA-N 1 0 449.599 3.493 40 0 IGABRO CC(C)Oc1cccc(C[NH+]2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)c1 ZINC000019765894 569239037 /nfs/dbraw/zinc/23/90/37/569239037.db2.gz BPYRXXKCPIXHLK-UHFFFAOYSA-N 1 0 438.572 3.303 40 0 IGABRO COc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000252514994 569288175 /nfs/dbraw/zinc/28/81/75/569288175.db2.gz FRTPTKAXFMZUJC-TXTKFYIRSA-N 1 0 446.569 3.166 40 0 IGABRO Cn1nc(-c2ccco2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2 ZINC000008622851 569469436 /nfs/dbraw/zinc/46/94/36/569469436.db2.gz YTMZDGOZUFCQTJ-JQHSSLGASA-N 1 0 434.496 3.017 40 0 biogenic,in-vitro IGABRO C[NH+](C)CCCNc1nc(-c2ccncc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329023562 569582817 /nfs/dbraw/zinc/58/28/17/569582817.db2.gz OUYRLHQROKFJIS-UHFFFAOYSA-N 1 0 435.429 3.898 40 0 IGABRO COc1ccc([C@H]2[C@H]3CCC[C@@H]([C@H](c4ccc(OC)cc4)N2C)C32NC(=O)NC2=O)cc1 ZINC000005618546 556060631 /nfs/dbraw/zinc/06/06/31/556060631.db2.gz VTJKPXDJRWVZTI-VKQCNIHFSA-N 1 0 435.524 3.426 40 0 IGABRO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@H](C)C3)cc12 ZINC000006322152 556084820 /nfs/dbraw/zinc/08/48/20/556084820.db2.gz ZTJJKIRYHVYXKJ-VPKVUBIPSA-N 1 0 436.560 3.132 40 0 IGABRO CN1CCN([C@@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c2cccs2)CC1 ZINC000040160707 556472360 /nfs/dbraw/zinc/47/23/60/556472360.db2.gz FQUXFRYQPPJGLR-ACIOBRDBSA-N 1 0 429.630 3.081 40 0 IGABRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000015240826 556513384 /nfs/dbraw/zinc/51/33/84/556513384.db2.gz VGEBQTXHXAHOKY-PZJWPPBQSA-N 1 0 447.560 3.491 40 0 IGABRO C[NH+](C)CCCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000013631946 556539489 /nfs/dbraw/zinc/53/94/89/556539489.db2.gz RQELFFPLUNAOJL-UHFFFAOYSA-N 1 0 444.384 3.257 40 0 IGABRO Cc1cccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000013672036 556552661 /nfs/dbraw/zinc/55/26/61/556552661.db2.gz VZMIZCULKRQBDE-UHFFFAOYSA-N 1 0 443.613 3.429 40 0 IGABRO CC1CC[NH+](CCCNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000013676134 556554129 /nfs/dbraw/zinc/55/41/29/556554129.db2.gz DLIKNLYBOZKAMI-UHFFFAOYSA-N 1 0 429.586 3.367 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000044857292 556673168 /nfs/dbraw/zinc/67/31/68/556673168.db2.gz LHDBSLWXTBJGKP-UHFFFAOYSA-N 1 0 435.977 3.018 40 0 IGABRO Cc1cccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000044873191 556673373 /nfs/dbraw/zinc/67/33/73/556673373.db2.gz RYEBUCGDLVGUKT-UHFFFAOYSA-N 1 0 443.613 3.453 40 0 IGABRO Cc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000044873700 556673732 /nfs/dbraw/zinc/67/37/32/556673732.db2.gz IVNDCPBLHDNCRH-UHFFFAOYSA-N 1 0 429.586 3.063 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)c1cc(F)cc(F)c1 ZINC000257218071 556703474 /nfs/dbraw/zinc/70/34/74/556703474.db2.gz DBTNSLKCDXTXJT-SONWIMMPSA-N 1 0 444.522 3.268 40 0 IGABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCCOc2ccccc2)CC1 ZINC000257343278 556709765 /nfs/dbraw/zinc/70/97/65/556709765.db2.gz ZSGLXNNVJVDZRA-XMMPIXPASA-N 1 0 430.520 3.271 40 0 IGABRO Cc1ccn(C[C@H](C)C(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1 ZINC000019238009 556722686 /nfs/dbraw/zinc/72/26/86/556722686.db2.gz KQGWUDUZSDHGDP-KRWDZBQOSA-N 1 0 438.551 3.148 40 0 IGABRO Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019238461 556723356 /nfs/dbraw/zinc/72/33/56/556723356.db2.gz VXPUBISGZKLJSS-OAQYLSRUSA-N 1 0 438.576 3.132 40 0 IGABRO COc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc4c(c(=O)[nH]3)C[N@@H+](C(C)C)CC4)[nH]c2c1 ZINC000019448167 556757670 /nfs/dbraw/zinc/75/76/70/556757670.db2.gz ZVKWKVYTNHLGJM-JOCHJYFZSA-N 1 0 449.555 3.394 40 0 IGABRO CCCc1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1 ZINC000019525742 556783439 /nfs/dbraw/zinc/78/34/39/556783439.db2.gz MGBAIOHIBLFTJH-YKSBVNFPSA-N 1 0 438.572 3.459 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)C2)c(OC)c1 ZINC000019552266 556795872 /nfs/dbraw/zinc/79/58/72/556795872.db2.gz JDYYAKIGKVZYAJ-QANKJYHBSA-N 1 0 425.455 3.495 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCN(C(=O)C[C@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555561 556798598 /nfs/dbraw/zinc/79/85/98/556798598.db2.gz IKQQUMCOJXYOEM-AZUAARDMSA-N 1 0 448.567 3.421 40 0 IGABRO Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556780 556799328 /nfs/dbraw/zinc/79/93/28/556799328.db2.gz XGUFEUCPETYMAY-BTYIYWSLSA-N 1 0 440.592 3.070 40 0 IGABRO COc1ccc(CN2CCc3c(nc(-c4ccncc4)nc3N(C)CC[NH+](C)C)C2)cc1 ZINC000019582497 556820427 /nfs/dbraw/zinc/82/04/27/556820427.db2.gz SWJUHZCUXPCQRV-UHFFFAOYSA-N 1 0 432.572 3.103 40 0 IGABRO C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019587783 556823969 /nfs/dbraw/zinc/82/39/69/556823969.db2.gz KIQVMJBAZSLZHP-PGRDOPGGSA-N 1 0 445.560 3.185 40 0 IGABRO CNC(=O)c1[nH]c(C2CC[NH+](Cc3cccnc3N(C)C)CC2)nc1-c1ccc(OC)cc1 ZINC000019697003 556854085 /nfs/dbraw/zinc/85/40/85/556854085.db2.gz QWMOXHQHQAKPSY-UHFFFAOYSA-N 1 0 448.571 3.286 40 0 IGABRO COc1cc(C)ccc1C[N@H+](C)Cc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698746 556857704 /nfs/dbraw/zinc/85/77/04/556857704.db2.gz OEKCKEPUSWLUNW-RPWUZVMVSA-N 1 0 437.584 3.286 40 0 IGABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCC[N@@H+](C3CCCCC3)C1)C2=O ZINC000019699651 556859336 /nfs/dbraw/zinc/85/93/36/556859336.db2.gz SDKHTHCJBLBOLO-NRFANRHFSA-N 1 0 438.572 3.010 40 0 IGABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccccc1F)C2 ZINC000019708524 556869321 /nfs/dbraw/zinc/86/93/21/556869321.db2.gz AHKVHEWZMDUOSO-INIZCTEOSA-N 1 0 425.552 3.329 40 0 IGABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(NC[C@@H](C)Oc3ccc(C)cc3)c2C1 ZINC000019710445 556873212 /nfs/dbraw/zinc/87/32/12/556873212.db2.gz NRVPMWRGZYUVQC-GOSISDBHSA-N 1 0 437.588 3.378 40 0 IGABRO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4C(=O)C[NH+]4CCCC4)nc32)cc1 ZINC000019740786 556881652 /nfs/dbraw/zinc/88/16/52/556881652.db2.gz XREHVKZXKDFJTQ-JOCHJYFZSA-N 1 0 447.583 3.332 40 0 IGABRO CC[NH+]1CCC(CC(=O)N2CCC(c3cc(C(F)(F)F)c4c(N)n[nH]c4n3)CC2)CC1 ZINC000019744686 556891311 /nfs/dbraw/zinc/89/13/11/556891311.db2.gz AOHJSYLRXJIVTA-UHFFFAOYSA-N 1 0 438.498 3.387 40 0 IGABRO O=C(Cn1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1=O)NC1CCCCC1 ZINC000019749313 556893403 /nfs/dbraw/zinc/89/34/03/556893403.db2.gz PNTAFNPCZBATBM-UHFFFAOYSA-N 1 0 436.556 3.145 40 0 IGABRO Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019752779 556896445 /nfs/dbraw/zinc/89/64/45/556896445.db2.gz PCGNUATWKMXGKL-NRFANRHFSA-N 1 0 432.572 3.479 40 0 IGABRO CN(C)c1ncccc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2)CC1 ZINC000019756616 556900378 /nfs/dbraw/zinc/90/03/78/556900378.db2.gz HLQCXCRINKIWAI-UHFFFAOYSA-N 1 0 446.599 3.266 40 0 IGABRO Cc1noc(C)c1COc1ccc(C[NH+]2CCC(Cc3nn(C)cc3C(N)=O)CC2)cc1 ZINC000019756626 556900454 /nfs/dbraw/zinc/90/04/54/556900454.db2.gz JXLQELMADVTRSC-UHFFFAOYSA-N 1 0 437.544 3.158 40 0 IGABRO Cc1nc([C@@H]2CCN(C(=O)CCC[NH+]3Cc4ccccc4C3)C2)ncc1C(=O)N1CCCC1 ZINC000019757408 556901597 /nfs/dbraw/zinc/90/15/97/556901597.db2.gz BWLHIDGEWANFCM-JOCHJYFZSA-N 1 0 447.583 3.133 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1OC ZINC000409052954 556931018 /nfs/dbraw/zinc/93/10/18/556931018.db2.gz FPNTXJXMXDMNQL-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(F)cc2)cc1 ZINC000409056288 556934272 /nfs/dbraw/zinc/93/42/72/556934272.db2.gz CGCCXPJXJJDXEY-VNGKGULCSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409057417 556934819 /nfs/dbraw/zinc/93/48/19/556934819.db2.gz PPICPMBXDKAPHS-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000409058266 556935167 /nfs/dbraw/zinc/93/51/67/556935167.db2.gz KGEZFHMTIYYXCA-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO Cc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409058292 556935361 /nfs/dbraw/zinc/93/53/61/556935361.db2.gz NMUOOYFXJFJXGY-RPBOFIJWSA-O 1 0 441.555 3.386 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000409060081 556937005 /nfs/dbraw/zinc/93/70/05/556937005.db2.gz SJTFRZMNOVTNAT-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@H]2c2ccccc2)cc1 ZINC000409053718 556937741 /nfs/dbraw/zinc/93/77/41/556937741.db2.gz HHRQUJMFLCGFQQ-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 ZINC000409064525 556941139 /nfs/dbraw/zinc/94/11/39/556941139.db2.gz CTMVJELKXPBMOJ-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccccc1 ZINC000072371880 556941107 /nfs/dbraw/zinc/94/11/07/556941107.db2.gz RBOJCVNHYXTLGG-OAQYLSRUSA-N 1 0 435.572 3.270 40 0 IGABRO COc1ccc([C@@H](CNc2cc(-c3ccnc(N4CCOCC4)c3)nc(C)n2)[NH+](C)C)cc1 ZINC000072373227 556945672 /nfs/dbraw/zinc/94/56/72/556945672.db2.gz QGYOSAZKLRDSKB-HSZRJFAPSA-N 1 0 448.571 3.407 40 0 IGABRO COc1ccccc1CCN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)C[NH+](C)C)nc21 ZINC000072373762 556946647 /nfs/dbraw/zinc/94/66/47/556946647.db2.gz PRONARAISMDZSI-NRFANRHFSA-N 1 0 437.588 3.014 40 0 IGABRO COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCCN(C(=O)C[NH+]4CCCC4)C3)ccc12 ZINC000072374475 556948275 /nfs/dbraw/zinc/94/82/75/556948275.db2.gz TWJHCAFHRLTUDW-LJQANCHMSA-N 1 0 448.571 3.380 40 0 IGABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4ccc(=O)n(C)c4)C3)c2)n1 ZINC000072374982 556949731 /nfs/dbraw/zinc/94/97/31/556949731.db2.gz XJRIKKBQFJUBSB-SFHVURJKSA-N 1 0 432.528 3.259 40 0 IGABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)C[NH+](C)C)C1 ZINC000072391569 556962543 /nfs/dbraw/zinc/96/25/43/556962543.db2.gz LSGMRGOMIYZBTF-RUZDIDTESA-N 1 0 425.548 3.342 40 0 IGABRO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000585103443 557037107 /nfs/dbraw/zinc/03/71/07/557037107.db2.gz GKNSBYWXHUGOPM-OAQYLSRUSA-N 1 0 429.586 3.082 40 0 IGABRO COc1ccc(N2C[C@H](C(=O)N3CCCC4=C[C@@H]5C[C@@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)CC2=O)cc1 ZINC000409413546 557109459 /nfs/dbraw/zinc/10/94/59/557109459.db2.gz CCDXVWLCRJJTAC-RADPCLAWSA-N 1 0 449.595 3.470 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000216357883 557144053 /nfs/dbraw/zinc/14/40/53/557144053.db2.gz UDQWAVQRPJCHLA-HSZRJFAPSA-N 1 0 449.661 3.308 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NC[C@H]1CCCO1 ZINC000006193328 557148484 /nfs/dbraw/zinc/14/84/84/557148484.db2.gz YGZLXHIKVQCLMK-OAQYLSRUSA-N 1 0 444.645 3.342 40 0 IGABRO Cc1cccc(C(=O)N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC000096052898 557166423 /nfs/dbraw/zinc/16/64/23/557166423.db2.gz CHDQOCGRMNWCEA-HXUWFJFHSA-N 1 0 434.584 3.119 40 0 IGABRO CCN1C(=O)C2(CC13CCN(S(=O)(=O)c1ccccc1)CC3)CC[NH+](CC(C)C)CC2 ZINC000096143699 557170807 /nfs/dbraw/zinc/17/08/07/557170807.db2.gz MQRGJYBCJUJASO-UHFFFAOYSA-N 1 0 447.645 3.200 40 0 IGABRO Cc1ncccc1NC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000096243875 557188337 /nfs/dbraw/zinc/18/83/37/557188337.db2.gz YYPVRVSOIBVIPM-NRFANRHFSA-N 1 0 435.503 3.254 40 0 IGABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)NCc2cccc(F)c2)CC3)C1=O ZINC000096262785 557190250 /nfs/dbraw/zinc/19/02/50/557190250.db2.gz YBHOGHBPNRPBTJ-RUZDIDTESA-N 1 0 444.595 3.328 40 0 IGABRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1 ZINC000585262121 557200894 /nfs/dbraw/zinc/20/08/94/557200894.db2.gz YCPXACBJFYWUSL-UMFSSWHCSA-N 1 0 448.567 3.328 40 0 IGABRO O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1 ZINC000010450035 557221843 /nfs/dbraw/zinc/22/18/43/557221843.db2.gz ZHBPUDQFTRDSQY-UHFFFAOYSA-N 1 0 435.977 3.137 40 0 IGABRO Cc1nccn1CCCOc1cccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)c1 ZINC000585292376 557230287 /nfs/dbraw/zinc/23/02/87/557230287.db2.gz IIRLFQLBIPQVEZ-UBFVSLLYSA-N 1 0 439.531 3.121 40 0 IGABRO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1ccc(OCC2(O)CCCCC2)cc1 ZINC000585292196 557230399 /nfs/dbraw/zinc/23/03/99/557230399.db2.gz FTTVEGKVGNPYBZ-WXFUMESZSA-N 1 0 429.532 3.221 40 0 IGABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)CC1 ZINC000100238855 557254300 /nfs/dbraw/zinc/25/43/00/557254300.db2.gz RALVANCGTIJBAH-GGPKGHCWSA-N 1 0 442.604 3.394 40 0 IGABRO O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCO)CC1 ZINC000100657964 557267908 /nfs/dbraw/zinc/26/79/08/557267908.db2.gz GNIZGKCSBUPHPS-HDICACEKSA-N 1 0 443.613 3.109 40 0 IGABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc(N4CCCCS4(=O)=O)c3)cc2)CC1 ZINC000222564632 557353323 /nfs/dbraw/zinc/35/33/23/557353323.db2.gz VMIDUGNZZXRJQW-UHFFFAOYSA-N 1 0 443.569 3.342 40 0 IGABRO COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+](C)C ZINC000223291473 557456254 /nfs/dbraw/zinc/45/62/54/557456254.db2.gz SDOIQXIGGONUQL-FCHUYYIVSA-N 1 0 449.580 3.193 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019527928 557501759 /nfs/dbraw/zinc/50/17/59/557501759.db2.gz NQAVLSODTWVEPA-QHCPKHFHSA-N 1 0 449.603 3.364 40 0 IGABRO COc1cccc([C@@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCCC3)CC2)c1OC ZINC000020139789 557515757 /nfs/dbraw/zinc/51/57/57/557515757.db2.gz MAAFEGGFRHXHRR-NRFANRHFSA-N 1 0 442.608 3.485 40 0 IGABRO CN(c1cccc(C(=O)NCCC[NH+]2CCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224273362 557583799 /nfs/dbraw/zinc/58/37/99/557583799.db2.gz QYECLBNIONLJID-UHFFFAOYSA-N 1 0 435.977 3.381 40 0 IGABRO CN(c1ccc(Cl)c(C(=O)NCCC[NH+]2CCCC2)c1)S(=O)(=O)c1ccccc1 ZINC000224335870 557593219 /nfs/dbraw/zinc/59/32/19/557593219.db2.gz WENLTVOMQOBDNU-UHFFFAOYSA-N 1 0 435.977 3.381 40 0 IGABRO CCn1c2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2sc1=O ZINC000224520688 557616083 /nfs/dbraw/zinc/61/60/83/557616083.db2.gz BMWADHLXPLSYKZ-UHFFFAOYSA-N 1 0 431.583 3.157 40 0 IGABRO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000224619455 557631871 /nfs/dbraw/zinc/63/18/71/557631871.db2.gz KLHZHOWWRVWNIM-QHCPKHFHSA-N 1 0 443.613 3.452 40 0 IGABRO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1NC(C)=O ZINC000224697708 557641524 /nfs/dbraw/zinc/64/15/24/557641524.db2.gz ZHHJLSILLUXIPN-UHFFFAOYSA-N 1 0 431.558 3.118 40 0 IGABRO Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000224776114 557650381 /nfs/dbraw/zinc/65/03/81/557650381.db2.gz XAFDRAUJPAVKAS-FQEVSTJZSA-N 1 0 443.613 3.370 40 0 IGABRO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000224783142 557650995 /nfs/dbraw/zinc/65/09/95/557650995.db2.gz DALXKOXQDKEAJE-JOCHJYFZSA-N 1 0 429.586 3.143 40 0 IGABRO Cc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000224813384 557654541 /nfs/dbraw/zinc/65/45/41/557654541.db2.gz WXSCKCCLBKUNJD-UHFFFAOYSA-N 1 0 429.586 3.063 40 0 IGABRO COC(=O)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000224847765 557658359 /nfs/dbraw/zinc/65/83/59/557658359.db2.gz JKXKOGRMRNBWHN-UHFFFAOYSA-N 1 0 440.978 3.307 40 0 IGABRO Cn1c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2sc1=O ZINC000224854267 557659027 /nfs/dbraw/zinc/65/90/27/557659027.db2.gz PXEIOOYOHQAYTB-UHFFFAOYSA-N 1 0 431.583 3.064 40 0 IGABRO CN(C)C(=O)c1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225773744 557775810 /nfs/dbraw/zinc/77/58/10/557775810.db2.gz WMKZVTPEQJLVPG-UHFFFAOYSA-N 1 0 426.586 3.348 40 0 IGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585287667 568619273 /nfs/dbraw/zinc/61/92/73/568619273.db2.gz QQBRLQRWNNUZHR-IMRHEYAYSA-N 1 0 427.532 3.374 40 0 IGABRO Cc1cccc(Nc2cc(C)[nH+]c(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)c2)n1 ZINC000257217437 568672969 /nfs/dbraw/zinc/67/29/69/568672969.db2.gz CYXVSHOTSWXREB-UHFFFAOYSA-N 1 0 426.546 3.139 40 0 IGABRO CC(=O)Nc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@@H](Cc3cccc4cccnc43)C2)cc1 ZINC000257225404 568676705 /nfs/dbraw/zinc/67/67/05/568676705.db2.gz FGAXLBNLEJFTQE-HXUWFJFHSA-N 1 0 445.567 3.238 40 0 IGABRO CC1(C)CC2(CN1S(C)(=O)=O)CCN(CC(=O)Nc1cccc3ccccc31)CC2 ZINC000257225979 568677021 /nfs/dbraw/zinc/67/70/21/568677021.db2.gz FIRBLWVTNBWADW-UHFFFAOYSA-N 1 0 429.586 3.304 40 0 IGABRO CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CCCC[NH3+])CC[C@@H]1Oc1ccccc1 ZINC000257286953 568705360 /nfs/dbraw/zinc/70/53/60/568705360.db2.gz PNUDQMBVHKNKGM-UPVQGACJSA-N 1 0 437.584 3.460 40 0 IGABRO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(C(F)(F)F)cc1)C[N@@H+]2CC(N)=O ZINC000257294059 568708547 /nfs/dbraw/zinc/70/85/47/568708547.db2.gz QSGLFFWATLKBJR-BRWVUGGUSA-N 1 0 427.467 3.216 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccn3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306129608 568765847 /nfs/dbraw/zinc/76/58/47/568765847.db2.gz IHZVWBORQPNPJG-RDGATRHJSA-N 1 0 430.556 3.272 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4ccccc4Cl)C[C@H]2C3)cc1 ZINC000306132479 568767405 /nfs/dbraw/zinc/76/74/05/568767405.db2.gz LKOVDSZOURIXNM-IAGOWNOFSA-N 1 0 437.931 3.497 40 0 IGABRO CCn1cc(C[N@@H+]2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4ccncc4)C3=O)C2)cn1 ZINC000306133944 568768147 /nfs/dbraw/zinc/76/81/47/568768147.db2.gz MZUVAXBPEAOBIO-RDGATRHJSA-N 1 0 447.587 3.094 40 0 IGABRO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@@H](C(=O)N(C)Cc2ccccc2)O3)s1 ZINC000306139008 568771089 /nfs/dbraw/zinc/77/10/89/568771089.db2.gz SNDCLJKBBGUGHF-FQEVSTJZSA-N 1 0 441.597 3.021 40 0 IGABRO Cc1ccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)s1 ZINC000306140731 568771678 /nfs/dbraw/zinc/77/16/78/568771678.db2.gz VCJXPADGJDBDSR-LADGPHEKSA-N 1 0 434.565 3.244 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccncc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143825 568773330 /nfs/dbraw/zinc/77/33/30/568773330.db2.gz YNQANIFDPKKRRV-RCZVLFRGSA-N 1 0 430.556 3.272 40 0 IGABRO COC(=O)N1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000306144104 568773744 /nfs/dbraw/zinc/77/37/44/568773744.db2.gz YWGBSNUTEHVNAW-UHFFFAOYSA-N 1 0 425.464 3.251 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2Br)cc(-c2ccccn2)n1 ZINC000329001337 568808861 /nfs/dbraw/zinc/80/88/61/568808861.db2.gz KDISLVLUOYXYPI-UHFFFAOYSA-N 1 0 427.350 3.252 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000329023010 568809620 /nfs/dbraw/zinc/80/96/20/568809620.db2.gz OQEVUKTUIQIYJZ-UHFFFAOYSA-N 1 0 427.350 3.252 40 0 IGABRO COc1ccc(N2C[C@H](C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)CC2=O)cc1 ZINC000524729085 569188435 /nfs/dbraw/zinc/18/84/35/569188435.db2.gz CCDXVWLCRJJTAC-SGBDCYFYSA-N 1 0 449.595 3.470 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000247875654 569206259 /nfs/dbraw/zinc/20/62/59/569206259.db2.gz GOBCVBYSUUZRQR-BPUDTRNYSA-N 1 0 439.556 3.347 40 0 IGABRO CCn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1 ZINC000247919488 569206526 /nfs/dbraw/zinc/20/65/26/569206526.db2.gz CAWWJAGKNUFFDO-NTKDMRAZSA-N 1 0 426.561 3.242 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000247918216 569206578 /nfs/dbraw/zinc/20/65/78/569206578.db2.gz WUTHUAUABDRREL-UXHICEINSA-N 1 0 448.567 3.421 40 0 IGABRO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000009063529 569219988 /nfs/dbraw/zinc/21/99/88/569219988.db2.gz DGCAQSQHYUVQHF-UHFFFAOYSA-N 1 0 428.460 3.250 40 0 IGABRO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCC[NH+]1CCCCCC1 ZINC000010111226 569221108 /nfs/dbraw/zinc/22/11/08/569221108.db2.gz HAXMOPUWIFWPOT-UHFFFAOYSA-N 1 0 447.576 3.403 40 0 IGABRO O=C(C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019370570 569226597 /nfs/dbraw/zinc/22/65/97/569226597.db2.gz DANDSPJTPYRIPI-XZOQPEGZSA-N 1 0 448.611 3.240 40 0 IGABRO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497856 569226806 /nfs/dbraw/zinc/22/68/06/569226806.db2.gz KZGJRDISBGFNIZ-UUOWRZLLSA-N 1 0 428.598 3.385 40 0 IGABRO COc1ccccc1NC(=O)c1ccc(C2CC[NH+](Cc3cnn(C)c3C)CC2)nc1N ZINC000019765954 569239085 /nfs/dbraw/zinc/23/90/85/569239085.db2.gz GAWJJIPPUZTFAS-UHFFFAOYSA-N 1 0 434.544 3.346 40 0 IGABRO COc1cc2c(cc1C[N@@H+]1CCC[C@H](c3nc(-c4ccccc4)c(C(N)=O)[nH]3)C1)OCCO2 ZINC000019698960 569327050 /nfs/dbraw/zinc/32/70/50/569327050.db2.gz YULKETIKFSJIRS-KRWDZBQOSA-N 1 0 448.523 3.335 40 0 IGABRO Cc1nc(-c2ccc(CNC(=O)[C@@H](Cc3ccccc3)[NH+]3CCCC3)cc2)ccc1C(N)=O ZINC000019700599 569327266 /nfs/dbraw/zinc/32/72/66/569327266.db2.gz SXUWUYHXAPYHFK-RUZDIDTESA-N 1 0 442.563 3.479 40 0 IGABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000008299241 291356725 /nfs/dbraw/zinc/35/67/25/291356725.db2.gz GCYBGAIBKCRKOK-SMIHKQSGSA-N 1 0 445.567 3.085 40 0 biogenic,in-vitro IGABRO COc1ccccc1-c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=S)NCC(C)C)n(C)n1 ZINC000012602005 291359084 /nfs/dbraw/zinc/35/90/84/291359084.db2.gz PVPRVEBNSRAFPN-NSHGMRRFSA-N 1 0 441.645 3.394 40 0 biogenic,in-vitro IGABRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 ZINC000096296359 291359566 /nfs/dbraw/zinc/35/95/66/291359566.db2.gz RDMRPZITKJUYBU-SFHVURJKSA-N 1 0 431.945 3.296 40 0 biogenic,in-vitro IGABRO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000020503535 519708061 /nfs/dbraw/zinc/70/80/61/519708061.db2.gz WCIOZHJVBGOHNL-PKOBYXMFSA-N 1 0 433.508 3.178 40 0 biogenic,in-vitro IGABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NC3CCCCC3)cc2c1 ZINC000012709941 521282809 /nfs/dbraw/zinc/28/28/09/521282809.db2.gz HGDVJZFUMXFOFB-UHFFFAOYSA-N 1 0 430.618 3.498 40 0 IGABRO C[NH+](C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=O)NC1CCCCC1 ZINC000012709925 524054328 /nfs/dbraw/zinc/05/43/28/524054328.db2.gz UYTVGPHFLHDQLH-UHFFFAOYSA-N 1 0 442.560 3.095 40 0 IGABRO COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC[NH+](C)C)CO2 ZINC000040935311 525543497 /nfs/dbraw/zinc/54/34/97/525543497.db2.gz ROFMCPHQNWGXGE-SFHVURJKSA-N 1 0 436.512 3.216 40 0 IGABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844068 526196037 /nfs/dbraw/zinc/19/60/37/526196037.db2.gz KAGCDJKHLXHNNM-HMSHQKHKSA-N 1 0 435.911 3.388 40 0 IGABRO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843229 526212973 /nfs/dbraw/zinc/21/29/73/526212973.db2.gz XRGXUDGPDOIAIG-DBYOASNMSA-N 1 0 435.911 3.388 40 0 IGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000012859392 526237858 /nfs/dbraw/zinc/23/78/58/526237858.db2.gz MWPMSHAXOHRZSG-PHJBHIMUSA-N 1 0 439.596 3.341 40 0 IGABRO CC1CC[NH+](CCCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000010540760 556336615 /nfs/dbraw/zinc/33/66/15/556336615.db2.gz ZOSKXBULRYYEBN-UHFFFAOYSA-N 1 0 429.586 3.364 40 0 IGABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 ZINC000039763584 556436643 /nfs/dbraw/zinc/43/66/43/556436643.db2.gz MBXSKJUSZZHJJK-UHFFFAOYSA-N 1 0 441.597 3.047 40 0 IGABRO CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC000015336090 556521950 /nfs/dbraw/zinc/52/19/50/556521950.db2.gz ABASNTVVWNHDCK-UHFFFAOYSA-N 1 0 427.570 3.060 40 0 IGABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000013669577 556550367 /nfs/dbraw/zinc/55/03/67/556550367.db2.gz VDOJWLQZNXNMOY-UHFFFAOYSA-N 1 0 429.586 3.183 40 0 IGABRO COc1ccc2c3c1O[C@@]1(C)[C@]34CCN(C)[C@H](C2)[C@@]42C=C[C@]1(OC)c1c(O)ccc(O)c12 ZINC000033749047 556567495 /nfs/dbraw/zinc/56/74/95/556567495.db2.gz QMJLOWCMXXVLQW-BIUWRGFISA-N 1 0 433.504 3.119 40 0 biogenic,in-vitro IGABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)c3ccccc3F)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257205265 556701664 /nfs/dbraw/zinc/70/16/64/556701664.db2.gz AYHFEQLYSKPFSO-GNKBHMEESA-N 1 0 439.575 3.044 40 0 IGABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCc2cccc3c2OCO3)CC1 ZINC000257315609 556703816 /nfs/dbraw/zinc/70/38/16/556703816.db2.gz VCDIEMSLTUYMIH-DEOSSOPVSA-N 1 0 444.503 3.121 40 0 IGABRO C[NH+]1CCN(CCNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)CC1 ZINC000257315520 556703896 /nfs/dbraw/zinc/70/38/96/556703896.db2.gz VBUIZWRNDOSRDJ-UHFFFAOYSA-N 1 0 439.575 3.196 40 0 IGABRO COc1cc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)ccc1OCCN1CCOCC1 ZINC000019208595 556708206 /nfs/dbraw/zinc/70/82/06/556708206.db2.gz KBKFSKGNJYBXGL-UHFFFAOYSA-N 1 0 440.584 3.198 40 0 IGABRO Cc1ccc(C2(O)CC[NH+](Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)CC2)cc1 ZINC000019208612 556708276 /nfs/dbraw/zinc/70/82/76/556708276.db2.gz QUQUGYKRMJGYOM-UHFFFAOYSA-N 1 0 447.579 3.292 40 0 IGABRO C[NH+]1CCN(CCNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)CC1 ZINC000257229750 556708935 /nfs/dbraw/zinc/70/89/35/556708935.db2.gz FZIRJFXVTLDPKY-UHFFFAOYSA-N 1 0 439.575 3.196 40 0 IGABRO O=C(CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(OC(F)F)cc1 ZINC000257237407 556710104 /nfs/dbraw/zinc/71/01/04/556710104.db2.gz HGIFHTFUFGCTIY-URXFXBBRSA-N 1 0 445.510 3.328 40 0 IGABRO O=C1CCCN1c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000019332370 556737586 /nfs/dbraw/zinc/73/75/86/556737586.db2.gz ANQQANGNKUODFP-VXKWHMMOSA-N 1 0 440.515 3.337 40 0 IGABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](C[C@H]4CC=CCC4)C3)nc2C1 ZINC000019347689 556743592 /nfs/dbraw/zinc/74/35/92/556743592.db2.gz DSJRLLXGMSUEIF-ROUUACIJSA-N 1 0 436.531 3.253 40 0 IGABRO O=C(Cc1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019348049 556743720 /nfs/dbraw/zinc/74/37/20/556743720.db2.gz LSHLHBLACLNXNC-SFHVURJKSA-N 1 0 438.547 3.158 40 0 IGABRO COc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc4c(c(=O)[nH]3)C[N@@H+](C(C)C)CC4)[nH]c2c1 ZINC000019448169 556757493 /nfs/dbraw/zinc/75/74/93/556757493.db2.gz ZVKWKVYTNHLGJM-QFIPXVFZSA-N 1 0 449.555 3.394 40 0 IGABRO CC(C)[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)nc2C1 ZINC000019448421 556757895 /nfs/dbraw/zinc/75/78/95/556757895.db2.gz KNMBFSVFPNUKTE-SFHVURJKSA-N 1 0 436.965 3.128 40 0 IGABRO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000096402884 556760452 /nfs/dbraw/zinc/76/04/52/556760452.db2.gz QJSXYMDBXXURBE-PIXQIBFHSA-N 1 0 429.520 3.149 40 0 IGABRO C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019496355 556769194 /nfs/dbraw/zinc/76/91/94/556769194.db2.gz NJMOLRQUPLKFOP-CQSZACIVSA-N 1 0 432.450 3.301 40 0 IGABRO CCN(CC[NH+](C)C)c1nc(-c2ccccn2)nc2c1CN(Cc1ccc(OC)cc1)CC2 ZINC000019526589 556784990 /nfs/dbraw/zinc/78/49/90/556784990.db2.gz QDZMDBUZCAUGMO-UHFFFAOYSA-N 1 0 446.599 3.493 40 0 IGABRO COc1ccc(C[N@@H+]2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)cc1CO ZINC000019559376 556801228 /nfs/dbraw/zinc/80/12/28/556801228.db2.gz CKYDJTGNPSMCAP-XUZZJYLKSA-N 1 0 430.495 3.494 40 0 IGABRO COc1cccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C3CCCC3)CC4)C2)c1 ZINC000019564082 556804815 /nfs/dbraw/zinc/80/48/15/556804815.db2.gz DZHQLQYYACFZKO-GOSISDBHSA-N 1 0 436.556 3.050 40 0 IGABRO COc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)CCCN4C(=O)C3CC3)CC2)c1 ZINC000019565840 556806421 /nfs/dbraw/zinc/80/64/21/556806421.db2.gz FAASRWSTSUMGGK-RUZDIDTESA-N 1 0 435.568 3.240 40 0 IGABRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)ccc1F ZINC000019570776 556811139 /nfs/dbraw/zinc/81/11/39/556811139.db2.gz KJBPVTALNJDOMI-HXUWFJFHSA-N 1 0 448.564 3.312 40 0 IGABRO CNc1cc(C2CC[NH+](Cc3ccc4c(c3)n(C)c(=O)n4C)CC2)nc(-c2cccnc2)n1 ZINC000019592232 556828419 /nfs/dbraw/zinc/82/84/19/556828419.db2.gz SUCJSOYBNUODKI-UHFFFAOYSA-N 1 0 443.555 3.150 40 0 IGABRO COCC[N@@H+]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)C1 ZINC000019593386 556829780 /nfs/dbraw/zinc/82/97/80/556829780.db2.gz GBSKZWCFBODMNI-DEOSSOPVSA-N 1 0 438.568 3.319 40 0 IGABRO Cn1cc(-c2ccc([C@H]3CCCN(C(=O)c4ccccc4OCC[NH+](C)C)C3)nc2)cn1 ZINC000019689142 556843660 /nfs/dbraw/zinc/84/36/60/556843660.db2.gz AQPWCFZCLOHDQA-FQEVSTJZSA-N 1 0 433.556 3.442 40 0 IGABRO Cn1cc(-c2ccc([C@@H]3CCCN(C(=O)c4ccccc4OCC[NH+](C)C)C3)nc2)cn1 ZINC000019689140 556843692 /nfs/dbraw/zinc/84/36/92/556843692.db2.gz AQPWCFZCLOHDQA-HXUWFJFHSA-N 1 0 433.556 3.442 40 0 IGABRO Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)n1 ZINC000019691715 556847484 /nfs/dbraw/zinc/84/74/84/556847484.db2.gz LZZMCOGQBUNNMY-UHFFFAOYSA-N 1 0 448.611 3.274 40 0 IGABRO CC(=O)NCc1ccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698687 556857737 /nfs/dbraw/zinc/85/77/37/556857737.db2.gz IIUMXNKHGIUMHJ-RPWUZVMVSA-N 1 0 445.567 3.017 40 0 IGABRO CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1c(C)n(CCOC)c3ccccc31)C2 ZINC000019707492 556867531 /nfs/dbraw/zinc/86/75/31/556867531.db2.gz RMTMYCHLYNFFEE-IBGZPJMESA-N 1 0 448.571 3.051 40 0 IGABRO Cc1nc([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019707810 556867759 /nfs/dbraw/zinc/86/77/59/556867759.db2.gz RNKUWTLELGRMEI-NRFANRHFSA-N 1 0 448.615 3.181 40 0 IGABRO CNc1nc([C@H]2CCC[N@H+](C)C2)nc2c1CCN(C(=O)C(C)(C)c1ccc(OC)cc1)C2 ZINC000019708500 556869341 /nfs/dbraw/zinc/86/93/41/556869341.db2.gz UHDCOBZUDXEWBS-KRWDZBQOSA-N 1 0 437.588 3.199 40 0 IGABRO CN(C)c1cc(CN(C)C(=O)CCOc2ccc(Cl)cc2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709854 556871363 /nfs/dbraw/zinc/87/13/63/556871363.db2.gz BIEVYDYDJOZZQW-LJQANCHMSA-N 1 0 431.968 3.438 40 0 IGABRO COc1ccccc1CN1C(=O)Cc2c1nc([C@@H]1CCC[N@@H+](C3CCOCC3)C1)nc2C ZINC000019743902 556889126 /nfs/dbraw/zinc/88/91/26/556889126.db2.gz VMXPAOWGPUGOSU-LJQANCHMSA-N 1 0 436.556 3.241 40 0 IGABRO O=C(Cn1cc(C(=O)NC2CCCCC2)ccc1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000019751539 556895498 /nfs/dbraw/zinc/89/54/98/556895498.db2.gz PKOBMQYMSGGNDS-UHFFFAOYSA-N 1 0 436.556 3.145 40 0 IGABRO Cc1nc([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753220 556897025 /nfs/dbraw/zinc/89/70/25/556897025.db2.gz GETPTKAIMIHJCW-MRXNPFEDSA-N 1 0 427.936 3.102 40 0 IGABRO C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CC[NH+](C3CCCC3)CC1)[C@@]1(C2)Nc2ccccc2C(=O)N1 ZINC000072326929 556903427 /nfs/dbraw/zinc/90/34/27/556903427.db2.gz FOHOCAOJWPUAJL-UNKRFLAVSA-N 1 0 436.600 3.451 40 0 IGABRO Cc1nc([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072354978 556930157 /nfs/dbraw/zinc/93/01/57/556930157.db2.gz ZHLDOPXDVITFKR-QGZVFWFLSA-N 1 0 441.963 3.348 40 0 IGABRO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370558 556935397 /nfs/dbraw/zinc/93/53/97/556935397.db2.gz PHUZZIDTSLXDMG-SFHVURJKSA-N 1 0 426.586 3.263 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)cc1 ZINC000409058434 556935405 /nfs/dbraw/zinc/93/54/05/556935405.db2.gz NCSXUCGRDMDNAX-CLCXKLDUSA-O 1 0 428.512 3.410 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 ZINC000409064535 556941072 /nfs/dbraw/zinc/94/10/72/556941072.db2.gz CTMVJELKXPBMOJ-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO Cc1onc(C(=O)N2CCc3nc(-c4cncnc4)sc3C2)c1C[NH+]1CCCCCC1 ZINC000072392049 556963253 /nfs/dbraw/zinc/96/32/53/556963253.db2.gz DQIIQAZPXRUKKR-UHFFFAOYSA-N 1 0 438.557 3.471 40 0 IGABRO Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000072398788 556970637 /nfs/dbraw/zinc/97/06/37/556970637.db2.gz XGUFEUCPETYMAY-VFNWGFHPSA-N 1 0 440.592 3.070 40 0 IGABRO CCCC(=O)N1CCc2nc(C3CC[NH+](CC4=Cc5ccccc5OC4)CC3)[nH]c(=O)c2C1 ZINC000072398994 556971153 /nfs/dbraw/zinc/97/11/53/556971153.db2.gz LUYNCPUZRVGLRK-UHFFFAOYSA-N 1 0 448.567 3.110 40 0 IGABRO CC1CC[NH+](CCCNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 ZINC000020106105 556982760 /nfs/dbraw/zinc/98/27/60/556982760.db2.gz QAKBPUAKHLNYFD-UHFFFAOYSA-N 1 0 445.560 3.240 40 0 IGABRO O=C(Cc1ccccn1)NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12 ZINC000585110197 557042983 /nfs/dbraw/zinc/04/29/83/557042983.db2.gz VZNNPWRLIUMPMJ-DNQXCXABSA-N 1 0 440.547 3.434 40 0 IGABRO O=C(Cc1ccccn1)NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12 ZINC000585110198 557043169 /nfs/dbraw/zinc/04/31/69/557043169.db2.gz VZNNPWRLIUMPMJ-RPWUZVMVSA-N 1 0 440.547 3.434 40 0 IGABRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101506749 557124456 /nfs/dbraw/zinc/12/44/56/557124456.db2.gz XRIBIFLLYHAMCH-SCTDSRPQSA-N 1 0 442.025 3.025 40 0 IGABRO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000216249426 557141106 /nfs/dbraw/zinc/14/11/06/557141106.db2.gz BGTATPUVDXEKNH-SFTDATJTSA-N 1 0 449.661 3.021 40 0 IGABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000006193162 557148020 /nfs/dbraw/zinc/14/80/20/557148020.db2.gz JJSORGDCCGTEBY-NRFANRHFSA-N 1 0 444.645 3.424 40 0 IGABRO C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccc(F)cc1 ZINC000006198580 557150324 /nfs/dbraw/zinc/15/03/24/557150324.db2.gz DTOMTALZBRMIMT-UHFFFAOYSA-N 1 0 442.516 3.157 40 0 IGABRO COc1ccc(NC(=O)c2ccc3nnc([C@H]4C[N@H+](CC5CC5)CCN4C(C)C)n3c2)cc1 ZINC000096156812 557182252 /nfs/dbraw/zinc/18/22/52/557182252.db2.gz XACIEJSEPBGRLI-JOCHJYFZSA-N 1 0 448.571 3.467 40 0 IGABRO Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CCN(S(=O)(=O)N(C)C)CC3)C2)cc1C ZINC000096242514 557186513 /nfs/dbraw/zinc/18/65/13/557186513.db2.gz URUPRIHLFKSBHX-UHFFFAOYSA-N 1 0 427.614 3.459 40 0 IGABRO CC(=O)N[C@]12CN(CC(=O)Nc3cccc(C)c3C)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000585262119 557200954 /nfs/dbraw/zinc/20/09/54/557200954.db2.gz SXQQXRUAMXANPP-DNRSQYFGSA-N 1 0 434.584 3.125 40 0 IGABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCCC[C@@H]4N(C(C)=O)CCC[C@@]43C)CC2)c1 ZINC000585263034 557203140 /nfs/dbraw/zinc/20/31/40/557203140.db2.gz WLWNEFFHZAVDFQ-ZEQRLZLVSA-N 1 0 429.605 3.282 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)ccc1OCCn1cccn1 ZINC000585271888 557216628 /nfs/dbraw/zinc/21/66/28/557216628.db2.gz PTXRWCLIPKZFSU-RUZDIDTESA-N 1 0 437.540 3.377 40 0 IGABRO Cc1ccccc1N1CCC(O)(C[NH+]2CCC(O)(COc3ccc(F)cc3)CC2)CC1 ZINC000585282998 557222112 /nfs/dbraw/zinc/22/21/12/557222112.db2.gz OEVMNUNZPIDVRD-UHFFFAOYSA-N 1 0 428.548 3.371 40 0 IGABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCC3)C4)C2)CC1 ZINC000100238820 557254180 /nfs/dbraw/zinc/25/41/80/557254180.db2.gz RVARIKQFKGPQMK-JENIJYKNSA-N 1 0 428.577 3.004 40 0 IGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000057774130 557264023 /nfs/dbraw/zinc/26/40/23/557264023.db2.gz YDBCOGUFWMEXNP-FDDCHVKYSA-N 1 0 427.545 3.205 40 0 IGABRO COc1ccc(CCn2nnnc2[C@@H](C(C)C)N2CC[NH+](C3CCCC3)CC2)cc1OC ZINC000022929975 557274240 /nfs/dbraw/zinc/27/42/40/557274240.db2.gz JTZZEVKLHRJYQM-HSZRJFAPSA-N 1 0 442.608 3.190 40 0 IGABRO C[NH+](C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000223281850 557455584 /nfs/dbraw/zinc/45/55/84/557455584.db2.gz CERLMMWREAACCI-WOJBJXKFSA-N 1 0 426.977 3.455 40 0 IGABRO Clc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140783 557515901 /nfs/dbraw/zinc/51/59/01/557515901.db2.gz BMFJJYUOOXTTKS-SFTDATJTSA-N 1 0 430.984 3.155 40 0 IGABRO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC3CC[NH+](C)CC3)c2)cc1 ZINC000224149518 557566969 /nfs/dbraw/zinc/56/69/69/557566969.db2.gz MVMWEMGPGICCQA-UHFFFAOYSA-N 1 0 429.586 3.282 40 0 IGABRO CC1CC[NH+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 ZINC000224184779 557572520 /nfs/dbraw/zinc/57/25/20/557572520.db2.gz DMKCYIGKOOUWON-UHFFFAOYSA-N 1 0 435.615 3.425 40 0 IGABRO CN(c1ccc(C(=O)NCC[NH+](C)C)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224246796 557580913 /nfs/dbraw/zinc/58/09/13/557580913.db2.gz OEJZKHKSARRZLE-UHFFFAOYSA-N 1 0 430.357 3.110 40 0 IGABRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224296863 557587075 /nfs/dbraw/zinc/58/70/75/557587075.db2.gz RHGOLOTWLMPBEE-UHFFFAOYSA-N 1 0 429.586 3.426 40 0 IGABRO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224509800 557614639 /nfs/dbraw/zinc/61/46/39/557614639.db2.gz PXHUMSPHHWLAEM-HSZRJFAPSA-N 1 0 443.613 3.452 40 0 IGABRO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224619712 557631874 /nfs/dbraw/zinc/63/18/74/557631874.db2.gz HYNHIRDQHOUXBX-QFIPXVFZSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1ccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c(C)c1 ZINC000224813458 557654590 /nfs/dbraw/zinc/65/45/90/557654590.db2.gz GYDLWVBURYOHDS-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000224815936 557655069 /nfs/dbraw/zinc/65/50/69/557655069.db2.gz RLMRENUPJJSZPO-LJQANCHMSA-N 1 0 429.586 3.143 40 0 IGABRO CCN(c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1)S(C)(=O)=O ZINC000224829994 557656380 /nfs/dbraw/zinc/65/63/80/557656380.db2.gz SDDFCFHPQBUKRJ-UHFFFAOYSA-N 1 0 429.586 3.388 40 0 IGABRO CN(CCCC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000224841542 557657465 /nfs/dbraw/zinc/65/74/65/557657465.db2.gz YQFHPJNWRZUXPH-UHFFFAOYSA-N 1 0 443.613 3.390 40 0 IGABRO CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000225904892 557790084 /nfs/dbraw/zinc/79/00/84/557790084.db2.gz YIUSQWMNGBQVMW-QGZVFWFLSA-N 1 0 435.977 3.407 40 0 IGABRO COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1 ZINC000061997562 557830002 /nfs/dbraw/zinc/83/00/02/557830002.db2.gz ZXBPYNJHTIRHRM-LJVIWKQPSA-N 1 0 440.584 3.102 40 0 IGABRO COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(C(C)(C)C)on2)cc1OC ZINC000015673267 560230578 /nfs/dbraw/zinc/23/05/78/560230578.db2.gz SZGJDOXXYSIASJ-ROUUACIJSA-N 1 0 429.561 3.464 40 0 biogenic,in-vitro IGABRO CCc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)[N@H+](C)C[C@]3(NC(C)=O)C2)cc1 ZINC000257232115 568680152 /nfs/dbraw/zinc/68/01/52/568680152.db2.gz GJMAJMWXYLNAEH-ARMFNRFLSA-N 1 0 434.584 3.071 40 0 IGABRO Cc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)CC[NH+]4CCC(C)CC4)CCO3)c2)s1 ZINC000257240268 568683635 /nfs/dbraw/zinc/68/36/35/568683635.db2.gz HSUKETKETBPUHA-HXUWFJFHSA-N 1 0 444.605 3.315 40 0 IGABRO O=C1NCCNC(=O)[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C/C=C/COc2ccccc21 ZINC000257254245 568690325 /nfs/dbraw/zinc/69/03/25/568690325.db2.gz KCHZJLJQGQJIDP-HFPKFUSDSA-N 1 0 433.552 3.154 40 0 IGABRO Cc1nn(C)cc1S(=O)(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257298672 568710503 /nfs/dbraw/zinc/71/05/03/568710503.db2.gz RMVDSSIWPCIRCO-UAAMJZOTSA-N 1 0 428.602 3.024 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306127993 568764987 /nfs/dbraw/zinc/76/49/87/568764987.db2.gz GNJSCTVBBOXUFC-NOZRDPDXSA-N 1 0 432.499 3.013 40 0 IGABRO O=C(NC1CCCC1)c1nnc2n1C[C@@]1(CC[N@H+](Cc3ccc4ccccc4c3)C1)OC2 ZINC000306131289 568766779 /nfs/dbraw/zinc/76/67/79/568766779.db2.gz KAFNKQIPNZZDBW-VWLOTQADSA-N 1 0 431.540 3.279 40 0 IGABRO Cc1cc(C)cc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133391 568767990 /nfs/dbraw/zinc/76/79/90/568767990.db2.gz MKBKOLOQFVZTGD-XNMGPUDCSA-N 1 0 442.563 3.491 40 0 IGABRO COc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)cc1 ZINC000306136250 568769498 /nfs/dbraw/zinc/76/94/98/568769498.db2.gz POCBJZOMCURPJB-VPUSJEBWSA-N 1 0 443.547 3.487 40 0 IGABRO C[NH+](C)[C@@H]1CCN(C(=O)c2nc([C@H]3CCCN3C(=O)c3ccccc3)n3ccccc23)C1 ZINC000306136817 568769630 /nfs/dbraw/zinc/76/96/30/568769630.db2.gz QEBZGFIJQHCRLD-TZIWHRDSSA-N 1 0 431.540 3.088 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2cccnc2)n1 ZINC000328974234 568808254 /nfs/dbraw/zinc/80/82/54/568808254.db2.gz FEOKYJMCOLIKPS-UHFFFAOYSA-N 1 0 432.450 3.388 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccn2)n1 ZINC000328992522 568808630 /nfs/dbraw/zinc/80/86/30/568808630.db2.gz IWFVVXHAZFWYGE-UHFFFAOYSA-N 1 0 431.313 3.001 40 0 IGABRO C[NH+](C)CCNc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)n1 ZINC000329032867 568809966 /nfs/dbraw/zinc/80/99/66/568809966.db2.gz QQNJAAUGVYJFPD-UHFFFAOYSA-N 1 0 426.362 3.336 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccncc2)n1 ZINC000329053340 568810608 /nfs/dbraw/zinc/81/06/08/568810608.db2.gz VFUNKDVDBKORJN-UHFFFAOYSA-N 1 0 432.450 3.388 40 0 IGABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016021912 568863768 /nfs/dbraw/zinc/86/37/68/568863768.db2.gz YSPSKCBBAZTUPG-KOHOOESMSA-N 1 0 437.927 3.102 40 0 IGABRO Cc1cc(CN2CCc3c(=O)[nH]c(N4CCC[C@@H](C)C4)nc3C2)c(C)n1C[C@@H]1CCCO1 ZINC000222017935 568906912 /nfs/dbraw/zinc/90/69/12/568906912.db2.gz UPPWSZJSZAHBDR-UTKZUKDTSA-N 1 0 439.604 3.162 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000248154912 569207412 /nfs/dbraw/zinc/20/74/12/569207412.db2.gz YOPAFSIOMFULCR-QUCCMNQESA-N 1 0 448.567 3.421 40 0 IGABRO O[C@@H](COc1c(F)cc(Br)cc1F)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000001462682 569211092 /nfs/dbraw/zinc/21/10/92/569211092.db2.gz HLTGQAIZUALIRQ-QGZVFWFLSA-N 1 0 441.316 3.285 40 0 IGABRO COc1ccccc1[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCN3C(=O)C(C)C)C1 ZINC000019086071 569226194 /nfs/dbraw/zinc/22/61/94/569226194.db2.gz QSCZLDJPSQOILF-BVAGGSTKSA-N 1 0 438.568 3.257 40 0 IGABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019530087 569226784 /nfs/dbraw/zinc/22/67/84/569226784.db2.gz IGHUZOYNVWEOHN-OFNKIYASSA-N 1 0 428.508 3.288 40 0 IGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC1)O2 ZINC000019498017 569226854 /nfs/dbraw/zinc/22/68/54/569226854.db2.gz HAKFMMFVEYQFHK-NPFVIJTESA-N 1 0 425.525 3.403 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1OC ZINC000019560947 569227053 /nfs/dbraw/zinc/22/70/53/569227053.db2.gz GOBCVBYSUUZRQR-NGYIFUPDSA-N 1 0 439.556 3.347 40 0 IGABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019702028 569231685 /nfs/dbraw/zinc/23/16/85/569231685.db2.gz RLSUQYISAMUFDK-INIZCTEOSA-N 1 0 436.585 3.378 40 0 IGABRO CC(C)c1ncc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cn1 ZINC000019702587 569232173 /nfs/dbraw/zinc/23/21/73/569232173.db2.gz FXTKRZMZAOQDNH-KRWDZBQOSA-N 1 0 439.585 3.264 40 0 IGABRO Cc1nc([C@@H]2CC[N@@H+](Cc3cc4ccccc4nc3N(C)C)C2)nc2c1CCC(=O)N2C ZINC000019738805 569236041 /nfs/dbraw/zinc/23/60/41/569236041.db2.gz ZEPWGIOEJYITQX-GOSISDBHSA-N 1 0 430.556 3.298 40 0 IGABRO CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000019739048 569236452 /nfs/dbraw/zinc/23/64/52/569236452.db2.gz QMBCJRSMUHJDHV-XMMPIXPASA-N 1 0 430.593 3.058 40 0 IGABRO Cc1nc([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763471 569238120 /nfs/dbraw/zinc/23/81/20/569238120.db2.gz NXTOHNXPIZCPFJ-QFIPXVFZSA-N 1 0 449.599 3.153 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000252517065 569288290 /nfs/dbraw/zinc/28/82/90/569288290.db2.gz ZFRBBAVBSOTKFN-KNKQGSTJSA-N 1 0 434.533 3.296 40 0 IGABRO CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2c1cc(-c2ccc(OC)c(OC)c2)nn1C ZINC000012602738 291355160 /nfs/dbraw/zinc/35/51/60/291355160.db2.gz KSCFRFIHGADNTE-UHOSZYNNSA-N 1 0 442.560 3.418 40 0 biogenic,in-vitro IGABRO COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C[NH+](C)C)C=C3C)nc2c1 ZINC000072321001 291356308 /nfs/dbraw/zinc/35/63/08/291356308.db2.gz BVSPYFPHTWEFLJ-UFYCRDLUSA-N 1 0 440.588 3.424 40 0 biogenic,in-vitro IGABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764396 193917259 /nfs/dbraw/zinc/91/72/59/193917259.db2.gz PGEUTLWLMAOTIT-OAQYLSRUSA-N 1 0 439.535 3.004 40 0 IGABRO COc1ccc(CC(=O)N2CCC3(CC4(CC[NH+](CC(C)C)CC4)C(=O)N3C)CC2)cc1 ZINC000096262343 193945772 /nfs/dbraw/zinc/94/57/72/193945772.db2.gz HLCZLJXWJMRVOW-UHFFFAOYSA-N 1 0 441.616 3.199 40 0 IGABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022865551 519803249 /nfs/dbraw/zinc/80/32/49/519803249.db2.gz KNUYMKCLEZNCKC-CNIHBODFSA-N 1 0 432.605 3.371 40 0 IGABRO CC[NH+]1CCC(CC(=O)N[C@H]2CCc3ccc(S(=O)(=O)NC4CCCC4)cc32)CC1 ZINC000072345796 521546057 /nfs/dbraw/zinc/54/60/57/521546057.db2.gz WFSUGUIPAGVCKD-QFIPXVFZSA-N 1 0 433.618 3.133 40 0 IGABRO CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC[NH+]3CCCCCC3)c2)CC1 ZINC000408701951 556105370 /nfs/dbraw/zinc/10/53/70/556105370.db2.gz IAUFWXADMQEVSG-UHFFFAOYSA-N 1 0 442.025 3.366 40 0 IGABRO Cc1cccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)c1C ZINC000010278431 556329080 /nfs/dbraw/zinc/32/90/80/556329080.db2.gz DMRRZCWQATZMBC-UHFFFAOYSA-N 1 0 443.613 3.491 40 0 IGABRO C[C@H](Cc1ccccn1)[N@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012089135 556401827 /nfs/dbraw/zinc/40/18/27/556401827.db2.gz XXEGXLBIZPKESF-TYCQWZJGSA-N 1 0 439.560 3.345 40 0 IGABRO Cc1cccc(C[NH+]2CCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)CC2)c1 ZINC000039772040 556437423 /nfs/dbraw/zinc/43/74/23/556437423.db2.gz RBNVKDPOGSXESX-UHFFFAOYSA-N 1 0 441.597 3.047 40 0 IGABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc(C(=O)OC)c1 ZINC000039742889 556438160 /nfs/dbraw/zinc/43/81/60/556438160.db2.gz QPHIALLLWHIHQG-UHFFFAOYSA-N 1 0 428.460 3.250 40 0 IGABRO COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(I)c1OCC(N)=O ZINC000036612913 556511458 /nfs/dbraw/zinc/51/14/58/556511458.db2.gz ZCGOLUYZZZLHOF-GFCCVEGCSA-N 1 0 440.281 3.015 40 0 IGABRO Cc1cc(C)cc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000013613652 556535272 /nfs/dbraw/zinc/53/52/72/556535272.db2.gz QOFDZZACZWNZBW-UHFFFAOYSA-N 1 0 443.613 3.491 40 0 IGABRO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)cc1 ZINC000013632232 556539521 /nfs/dbraw/zinc/53/95/21/556539521.db2.gz SSELDTUTYQRIFD-UHFFFAOYSA-N 1 0 445.585 3.126 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCC(C)CC2)c2ccccc2)cc1 ZINC000013647575 556544501 /nfs/dbraw/zinc/54/45/01/556544501.db2.gz ALJYDPYUWFQOMD-UHFFFAOYSA-N 1 0 443.613 3.429 40 0 IGABRO O=C(NCc1ccc(CN2CCOCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000038831433 556622231 /nfs/dbraw/zinc/62/22/31/556622231.db2.gz GNNGZYKBOKHACZ-UHFFFAOYSA-N 1 0 425.548 3.186 40 0 IGABRO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000044872563 556673425 /nfs/dbraw/zinc/67/34/25/556673425.db2.gz DWSZGNSKJBYMOW-JOCHJYFZSA-N 1 0 429.586 3.143 40 0 IGABRO Cn1nc(C(C)(C)C)cc1C(=O)NCCn1nc(-c2ccccc2F)cc1C[NH+](C)C ZINC000019083809 556698223 /nfs/dbraw/zinc/69/82/23/556698223.db2.gz DXDJTXJONXNYGA-UHFFFAOYSA-N 1 0 426.540 3.212 40 0 IGABRO CC(C)c1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)on1 ZINC000257304624 556717806 /nfs/dbraw/zinc/71/78/06/556717806.db2.gz SMKDHIAHNNPDRX-TZBSWOFLSA-N 1 0 441.572 3.102 40 0 IGABRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(OC)c3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285503 556727461 /nfs/dbraw/zinc/72/74/61/556727461.db2.gz XNZKBMGSJQETPZ-LEWJYISDSA-N 1 0 435.524 3.487 40 0 IGABRO OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000019334083 556737980 /nfs/dbraw/zinc/73/79/80/556737980.db2.gz MOJHCVBBIUUXPT-QFIPXVFZSA-N 1 0 436.535 3.409 40 0 IGABRO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3ccnc(N4CCOCC4)n3)CC2)cc1 ZINC000019369523 556747001 /nfs/dbraw/zinc/74/70/01/556747001.db2.gz LGHKDRSSNMGLCC-UHFFFAOYSA-N 1 0 429.568 3.220 40 0 IGABRO O=C(NCc1ccccn1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372476 556749133 /nfs/dbraw/zinc/74/91/33/556749133.db2.gz KYPXDSMBEWETSX-GOTSBHOMSA-N 1 0 442.567 3.004 40 0 IGABRO O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccs1)CC2 ZINC000019400162 556752847 /nfs/dbraw/zinc/75/28/47/556752847.db2.gz JEWDLFQPJHRDLS-HXUWFJFHSA-N 1 0 435.553 3.152 40 0 IGABRO CC[C@@H](C)[NH+]1CCN(Cc2c3cc(C)cn(CC(=O)N(C)C)c-3nc2C(F)(F)F)CC1 ZINC000019499918 556771754 /nfs/dbraw/zinc/77/17/54/556771754.db2.gz MKZGKYLMPFMTCQ-MRXNPFEDSA-N 1 0 439.526 3.319 40 0 IGABRO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000001335330 556776143 /nfs/dbraw/zinc/77/61/43/556776143.db2.gz VGFNAUIBFCAKIN-UHFFFAOYSA-N 1 0 438.553 3.053 40 0 IGABRO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000019530083 556791291 /nfs/dbraw/zinc/79/12/91/556791291.db2.gz IGHUZOYNVWEOHN-REWPJTCUSA-N 1 0 428.508 3.288 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)cc1 ZINC000019555251 556798406 /nfs/dbraw/zinc/79/84/06/556798406.db2.gz NGKKMGPGQAYMMI-QHCPKHFHSA-N 1 0 448.571 3.278 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(OC)c(OC)c3)CC1)C[C@@H]2O ZINC000019563030 556804090 /nfs/dbraw/zinc/80/40/90/556804090.db2.gz SKKINYRCJFFMBT-VQTJNVASSA-N 1 0 429.513 3.097 40 0 IGABRO COc1cccc([C@@H]2C[N@H+](Cc3cnc(N4CCCCC4)nc3)C[C@]23CCCC(=O)N3)c1 ZINC000019566071 556806584 /nfs/dbraw/zinc/80/65/84/556806584.db2.gz NLNMWKMLQTWDDW-WIOPSUGQSA-N 1 0 435.572 3.114 40 0 IGABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cc1CN1CCOCC1 ZINC000019569252 556809473 /nfs/dbraw/zinc/80/94/73/556809473.db2.gz CKPNMUSPLBGNGS-UHFFFAOYSA-N 1 0 426.557 3.020 40 0 IGABRO COc1ccccc1OCC(=O)N1CCC(O)(C[N@@H+]2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019571363 556811676 /nfs/dbraw/zinc/81/16/76/556811676.db2.gz XJGTYPLHZATFLP-OAQYLSRUSA-N 1 0 439.556 3.050 40 0 IGABRO CS(=O)(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)ccc21 ZINC000019572459 556812878 /nfs/dbraw/zinc/81/28/78/556812878.db2.gz IIPOHVYZKLLBPF-XMMPIXPASA-N 1 0 428.598 3.387 40 0 IGABRO Cc1nccn1CC1(O)CC[NH+](Cc2c(C)n(CC(=O)N3CCCC3)c3ccccc23)CC1 ZINC000019581875 556819892 /nfs/dbraw/zinc/81/98/92/556819892.db2.gz PKKPYWJRKSYURK-UHFFFAOYSA-N 1 0 449.599 3.104 40 0 IGABRO CN(C)c1ncc(C[NH+]2CCC([C@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cn1 ZINC000019698517 556856890 /nfs/dbraw/zinc/85/68/90/556856890.db2.gz XTABXZIIQURIFV-HSZRJFAPSA-N 1 0 437.563 3.499 40 0 IGABRO CC(=O)NCc1ccc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698778 556858100 /nfs/dbraw/zinc/85/81/00/556858100.db2.gz AVEOKFCJAYYTAE-RPWUZVMVSA-N 1 0 430.552 3.175 40 0 IGABRO CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)Nc3ccccc3C[NH+]3CCCC3)cn2)C1 ZINC000019706070 556863952 /nfs/dbraw/zinc/86/39/52/556863952.db2.gz MAWSTQPQKJFAJS-HXUWFJFHSA-N 1 0 442.585 3.069 40 0 IGABRO Cc1nc([C@H]2CCCCN2C(=O)CC[NH+]2CCCC2)nc2c1CC(=O)N2Cc1ccccc1 ZINC000019739765 556878803 /nfs/dbraw/zinc/87/88/03/556878803.db2.gz CLWCGBUHOXDIDI-JOCHJYFZSA-N 1 0 447.583 3.414 40 0 IGABRO Cc1nc([C@H]2CCN(C(=O)CCC[NH+]3Cc4ccccc4C3)C2)ncc1C(=O)N1CCCC1 ZINC000019757411 556901528 /nfs/dbraw/zinc/90/15/28/556901528.db2.gz BWLHIDGEWANFCM-QFIPXVFZSA-N 1 0 447.583 3.133 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c1F ZINC000072330583 556906717 /nfs/dbraw/zinc/90/67/17/556906717.db2.gz ROFWNZLTZRLYSD-JZWVFAODSA-N 1 0 427.520 3.478 40 0 IGABRO Cc1nc([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)ncc1C(=O)NCc1ccccc1 ZINC000019765853 556910755 /nfs/dbraw/zinc/91/07/55/556910755.db2.gz ROUPBHIVTWLVNN-JOCHJYFZSA-N 1 0 435.572 3.110 40 0 IGABRO Cc1nc([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)ncc1C(=O)NCc1ccccc1 ZINC000019765855 556910827 /nfs/dbraw/zinc/91/08/27/556910827.db2.gz ROUPBHIVTWLVNN-QFIPXVFZSA-N 1 0 435.572 3.110 40 0 IGABRO Cc1cc(Cc2ccccc2C)cc([C@@H]2CCC[N@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072353926 556928596 /nfs/dbraw/zinc/92/85/96/556928596.db2.gz WCOOAUVHVJNTMG-XMMPIXPASA-N 1 0 448.611 3.193 40 0 IGABRO Nc1ncnc2nc([C@H]3CCCN(C(=O)[C@@H]([NH3+])c4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000072354388 556929850 /nfs/dbraw/zinc/92/98/50/556929850.db2.gz DWNDYARYBDXDPS-GUYCJALGSA-N 1 0 430.434 3.032 40 0 IGABRO COc1ccc(S(=O)(=O)N2CC[N@@H+](C3CCCC3)C[C@H](Cc3ccccn3)C2)cc1 ZINC000072355127 556930204 /nfs/dbraw/zinc/93/02/04/556930204.db2.gz GEENOBRZYYCQIB-IBGZPJMESA-N 1 0 429.586 3.198 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409057418 556934789 /nfs/dbraw/zinc/93/47/89/556934789.db2.gz PPICPMBXDKAPHS-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409057449 556934796 /nfs/dbraw/zinc/93/47/96/556934796.db2.gz QEWLJPQYQSNGMH-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409058474 556935628 /nfs/dbraw/zinc/93/56/28/556935628.db2.gz NIFXPJLVGHNDHH-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO O=C(C[N@H+]1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1)N1CCCC1 ZINC000072371238 556937924 /nfs/dbraw/zinc/93/79/24/556937924.db2.gz GMKMCJAIOGZAOU-INIZCTEOSA-N 1 0 436.478 3.462 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409070791 556944916 /nfs/dbraw/zinc/94/49/16/556944916.db2.gz NGSVNENTKYUSQI-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO CC(=O)N1CCc2c(nc([C@@H]3CCC[N@H+](C)C3)nc2N(C)Cc2ccc3ncccc3c2)C1 ZINC000072376534 556955116 /nfs/dbraw/zinc/95/51/16/556955116.db2.gz OEPFLLYQJRVGOL-OAQYLSRUSA-N 1 0 444.583 3.375 40 0 IGABRO COc1ccc(OC)c(C[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)c1 ZINC000072395700 556968031 /nfs/dbraw/zinc/96/80/31/556968031.db2.gz CSYQVDYQGFCNLF-FUHWJXTLSA-N 1 0 425.455 3.495 40 0 IGABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)n1 ZINC000257236622 556985097 /nfs/dbraw/zinc/98/50/97/556985097.db2.gz HCZTWEIENMXBHP-NHCUHLMSSA-N 1 0 436.604 3.468 40 0 IGABRO CC[NH+](CC)Cc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 ZINC000020244297 557002360 /nfs/dbraw/zinc/00/23/60/557002360.db2.gz XFWGTNZYIUNDID-UHFFFAOYSA-N 1 0 446.617 3.397 40 0 IGABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@H+](C)Cc4cccnc4)C3)CC2)c1 ZINC000585105113 557037854 /nfs/dbraw/zinc/03/78/54/557037854.db2.gz YKFPMNGPALMMEE-QHCPKHFHSA-N 1 0 439.556 3.242 40 0 IGABRO Cc1ccc(C2(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@H+](CC5CCCC5)C[C@@H]34)CC2)cc1 ZINC000585106302 557039928 /nfs/dbraw/zinc/03/99/28/557039928.db2.gz PLSOMALGGPWAOB-PKTZIBPZSA-N 1 0 435.612 3.256 40 0 IGABRO O=C(Cc1ccccn1)NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3C[N@H+]12 ZINC000585110199 557043049 /nfs/dbraw/zinc/04/30/49/557043049.db2.gz VZNNPWRLIUMPMJ-ZEQRLZLVSA-N 1 0 440.547 3.434 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 ZINC000216357929 557144334 /nfs/dbraw/zinc/14/43/34/557144334.db2.gz UDQWAVQRPJCHLA-QHCPKHFHSA-N 1 0 449.661 3.308 40 0 IGABRO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000006288005 557150748 /nfs/dbraw/zinc/15/07/48/557150748.db2.gz ZAIITSXASPYTJM-UHFFFAOYSA-N 1 0 433.375 3.328 40 0 IGABRO CCN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)Nc1ccccc1C)CC2 ZINC000096143631 557170410 /nfs/dbraw/zinc/17/04/10/557170410.db2.gz UESULOFLQTZAGT-FCHUYYIVSA-N 1 0 447.583 3.367 40 0 IGABRO CCN1CC[C@@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)Cc2cccc(OC)c2)CC3)C1=O ZINC000096144080 557171641 /nfs/dbraw/zinc/17/16/41/557171641.db2.gz FQNISYAKXLZENL-AREMUKBSSA-N 1 0 441.616 3.057 40 0 IGABRO COc1cccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)Nc2ccccc2)Cn2ccnc23)c1 ZINC000096144613 557173110 /nfs/dbraw/zinc/17/31/10/557173110.db2.gz XBWQYYMTLUUYCE-JOCHJYFZSA-N 1 0 432.524 3.421 40 0 IGABRO CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3ccc(OCC[NH+](C)C)cc3)CC[C@H]21 ZINC000585261606 557195105 /nfs/dbraw/zinc/19/51/05/557195105.db2.gz JZDNOOYPTLDOCP-UBFVSLLYSA-N 1 0 435.568 3.104 40 0 IGABRO Cc1cc(C)c(C)c(O[C@H]2C[N@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)c1 ZINC000585267898 557207303 /nfs/dbraw/zinc/20/73/03/557207303.db2.gz RZEKEBZXBHTTPA-ZCYQVOJMSA-N 1 0 438.568 3.237 40 0 IGABRO O[C@H]1CC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C[C@]1(O)COc1ccc(F)c(F)c1 ZINC000585286900 557225615 /nfs/dbraw/zinc/22/56/15/557225615.db2.gz KCBCLFPABAZCPB-IODBPXAYSA-N 1 0 447.522 3.230 40 0 IGABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000057313554 557244665 /nfs/dbraw/zinc/24/46/65/557244665.db2.gz HSOXADQREWNRHT-UHFFFAOYSA-N 1 0 432.318 3.240 40 0 IGABRO COCCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000057774103 557263762 /nfs/dbraw/zinc/26/37/62/557263762.db2.gz HHGROGBGSYVBIY-DVECYGJZSA-N 1 0 427.545 3.205 40 0 IGABRO [NH3+][C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cnccn3)n2)CC1 ZINC000100708853 557270729 /nfs/dbraw/zinc/27/07/29/557270729.db2.gz HAIBOOZQCUSMIY-NSHGMRRFSA-N 1 0 449.534 3.109 40 0 IGABRO CC(C)C[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000022929651 557273911 /nfs/dbraw/zinc/27/39/11/557273911.db2.gz PHBSSYUHKRDKTO-OAQYLSRUSA-N 1 0 440.592 3.488 40 0 IGABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1 ZINC000219981403 557274993 /nfs/dbraw/zinc/27/49/93/557274993.db2.gz DTWNABRWXCPMFP-UHFFFAOYSA-N 1 0 443.569 3.196 40 0 IGABRO CCC[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019503409 557500276 /nfs/dbraw/zinc/50/02/76/557500276.db2.gz MWEOZPNXOIVKRF-NRFANRHFSA-N 1 0 437.592 3.003 40 0 IGABRO COc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019569128 557500954 /nfs/dbraw/zinc/50/09/54/557500954.db2.gz VIXLKURPAFTTTK-DEOSSOPVSA-N 1 0 432.572 3.380 40 0 IGABRO CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000224173873 557570424 /nfs/dbraw/zinc/57/04/24/557570424.db2.gz FAEDOZZARCPJPO-UHFFFAOYSA-N 1 0 433.549 3.257 40 0 IGABRO CCN(Cc1ccc(C(=O)NCCC[NH+](C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224462521 557609016 /nfs/dbraw/zinc/60/90/16/557609016.db2.gz IVKJZSWHXIWOQR-UHFFFAOYSA-N 1 0 437.993 3.232 40 0 IGABRO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC000224519199 557615634 /nfs/dbraw/zinc/61/56/34/557615634.db2.gz WMVOXBHVPOCSPM-UHFFFAOYSA-N 1 0 439.581 3.060 40 0 IGABRO Cc1cccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000224629564 557633212 /nfs/dbraw/zinc/63/32/12/557633212.db2.gz JXWGYPFCNUMTCR-IBGZPJMESA-N 1 0 429.586 3.062 40 0 IGABRO CCc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)cc1 ZINC000224630041 557633455 /nfs/dbraw/zinc/63/34/55/557633455.db2.gz RSRNBGLCNGRWRL-IBGZPJMESA-N 1 0 443.613 3.316 40 0 IGABRO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224783620 557651038 /nfs/dbraw/zinc/65/10/38/557651038.db2.gz SKDLCHBNWCUESY-JOCHJYFZSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1c(Cl)cccc1N(CCCC(=O)NCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000225638105 557755221 /nfs/dbraw/zinc/75/52/21/557755221.db2.gz WQWOPTDUKPKFAU-UHFFFAOYSA-N 1 0 444.041 3.433 40 0 IGABRO COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1ccccc1OC ZINC000015676474 560095619 /nfs/dbraw/zinc/09/56/19/560095619.db2.gz DJABJNALCGZTMT-IBGZPJMESA-N 1 0 439.899 3.334 40 0 biogenic,in-vitro IGABRO Cc1ccc(=O)n(CC(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@@H+]3C)n1 ZINC000257225118 568676673 /nfs/dbraw/zinc/67/66/73/568676673.db2.gz FEXGUISHTMNMDQ-AALNHBIMSA-N 1 0 434.584 3.027 40 0 IGABRO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(CC(=O)Nc3ccc4[nH]c(C)nc4c3)CC[C@H]21 ZINC000257226023 568676970 /nfs/dbraw/zinc/67/69/70/568676970.db2.gz FIUMOWBMKDZOBO-PQNGQFLHSA-N 1 0 449.530 3.285 40 0 IGABRO Cc1nnc(Nc2cc(C)nc([C@@H]3CN(C(=O)CC[NH+]4CCC(C)CC4)CCO3)c2)s1 ZINC000257240267 568683842 /nfs/dbraw/zinc/68/38/42/568683842.db2.gz HSUKETKETBPUHA-FQEVSTJZSA-N 1 0 444.605 3.315 40 0 IGABRO C[NH+]1CCC(C)(C(=O)NC[C@H]2C[C@]3(C)[C@@H](CCCC[C@@H]3O)N2C(=O)OC(C)(C)C)CC1 ZINC000257254614 568690643 /nfs/dbraw/zinc/69/06/43/568690643.db2.gz KDXSCSYCIRMYJW-FLFXDLLNSA-N 1 0 437.625 3.154 40 0 IGABRO O=C(CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)N1CCSc2ccccc21 ZINC000257256928 568691728 /nfs/dbraw/zinc/69/17/28/568691728.db2.gz KNKUSRYCMBFWAE-ZCYQVOJMSA-N 1 0 437.609 3.227 40 0 IGABRO O=C1O[C@@]2(CN1CCc1ccccc1)CCC[N@H+](Cc1ccnc(N3CCCC3)n1)CC2 ZINC000257266551 568696048 /nfs/dbraw/zinc/69/60/48/568696048.db2.gz MDMAYYXOLJJXHF-VWLOTQADSA-N 1 0 435.572 3.496 40 0 IGABRO Cc1nc2cc(C(=O)N3CCC[C@H](CC(=O)N4CC[NH+](C5CCCC5)CC4)C3)ccc2[nH]1 ZINC000257285169 568704549 /nfs/dbraw/zinc/70/45/49/568704549.db2.gz PFYIXNOTWRXCHF-LJQANCHMSA-N 1 0 437.588 3.200 40 0 IGABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)C1CCCCC1 ZINC000257299571 568711051 /nfs/dbraw/zinc/71/10/51/568711051.db2.gz RQPWAPHECFVECV-GNKBHMEESA-N 1 0 428.617 3.381 40 0 IGABRO NC(=O)c1cnn2c1nccc2[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000257330805 568724732 /nfs/dbraw/zinc/72/47/32/568724732.db2.gz XQDLHFAEJSPBMN-NRFANRHFSA-N 1 0 446.555 3.182 40 0 IGABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)[nH+]1 ZINC000257342498 568729647 /nfs/dbraw/zinc/72/96/47/568729647.db2.gz ZOYQXAQQKFOMRU-KRWDZBQOSA-N 1 0 434.537 3.029 40 0 IGABRO Cn1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C2CC[NH+](C)CC2)n1 ZINC000306126086 568764168 /nfs/dbraw/zinc/76/41/68/568764168.db2.gz DLYCOUGGIZJRPB-UHFFFAOYSA-N 1 0 446.555 3.074 40 0 IGABRO Cc1ccsc1C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126488 568764177 /nfs/dbraw/zinc/76/41/77/568764177.db2.gz DXLMVBOELGXHOX-URXFXBBRSA-N 1 0 434.565 3.244 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@@]12C[N@H+](Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306127992 568764936 /nfs/dbraw/zinc/76/49/36/568764936.db2.gz GNJSCTVBBOXUFC-ILBGXUMGSA-N 1 0 432.499 3.013 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccccc4Cl)C[C@@H]2C3)cc1 ZINC000306132480 568767310 /nfs/dbraw/zinc/76/73/10/568767310.db2.gz LKOVDSZOURIXNM-IRXDYDNUSA-N 1 0 437.931 3.497 40 0 IGABRO COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccccn3)CC2)C1 ZINC000306134520 568768509 /nfs/dbraw/zinc/76/85/09/568768509.db2.gz NPWLEQSFWPKLLE-UHFFFAOYSA-N 1 0 436.491 3.053 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccnc3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136478 568769487 /nfs/dbraw/zinc/76/94/87/568769487.db2.gz PUMPFGZQHNVIHH-WIOPSUGQSA-N 1 0 430.556 3.272 40 0 IGABRO COc1ccc(CN2CCO[C@]3(C[N@H+](Cc4ccco4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306136626 568769641 /nfs/dbraw/zinc/76/96/41/568769641.db2.gz PYSHDTWZUCEROF-ZCYQVOJMSA-N 1 0 433.508 3.080 40 0 IGABRO Cc1cccc(C[NH+]2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C(C)C)C3)n1 ZINC000306140269 568771576 /nfs/dbraw/zinc/77/15/76/568771576.db2.gz UOOSDSYUIPNXGR-UHFFFAOYSA-N 1 0 429.586 3.464 40 0 IGABRO C[N@@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC000306141206 568772036 /nfs/dbraw/zinc/77/20/36/568772036.db2.gz VOHQZXKDCVKSSV-OAQYLSRUSA-N 1 0 435.568 3.089 40 0 IGABRO COc1ccc(COC[C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000027530891 568781704 /nfs/dbraw/zinc/78/17/04/568781704.db2.gz ICIDGPFGFKGESK-OAQYLSRUSA-N 1 0 434.964 3.053 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)n1 ZINC000328968103 568807960 /nfs/dbraw/zinc/80/79/60/568807960.db2.gz CYBJUMTYYASUKK-UHFFFAOYSA-N 1 0 441.377 3.121 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2cccc(Br)c2)cc(-c2ccccn2)n1 ZINC000329025669 568809623 /nfs/dbraw/zinc/80/96/23/568809623.db2.gz PHPOHBDFQLKMAA-UHFFFAOYSA-N 1 0 441.377 3.121 40 0 IGABRO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[N@@H+]4CCC[C@H]4C3)cc2c1 ZINC000253616936 569209231 /nfs/dbraw/zinc/20/92/31/569209231.db2.gz UPMMZHMPCFECTR-REWPJTCUSA-N 1 0 447.587 3.474 40 0 IGABRO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@]3(O)c2cnc(OC)nc2OC)c(C)c1C ZINC000019577265 569226941 /nfs/dbraw/zinc/22/69/41/569226941.db2.gz VNBRLJQQUNOKSN-LJFZDNNRSA-N 1 0 427.545 3.239 40 0 IGABRO COc1cccc(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)c1 ZINC000019582138 569227283 /nfs/dbraw/zinc/22/72/83/569227283.db2.gz XERQPDOGPPSIMQ-PKTZIBPZSA-N 1 0 437.584 3.054 40 0 IGABRO CCC(CC)C(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699871 569230882 /nfs/dbraw/zinc/23/08/82/569230882.db2.gz MNVGTQYBHMCIHI-NRFANRHFSA-N 1 0 440.588 3.000 40 0 IGABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cccnc2N(C)C)C1 ZINC000019702447 569232072 /nfs/dbraw/zinc/23/20/72/569232072.db2.gz YTAPQWWMGVIVOJ-MRXNPFEDSA-N 1 0 439.585 3.123 40 0 IGABRO O=C(NCc1cnn(-c2ccccc2)c1[C@@H]1CC[N@@H+](C2CCOCC2)C1)c1ccccn1 ZINC000019707999 569234682 /nfs/dbraw/zinc/23/46/82/569234682.db2.gz ZBLWWYWIYTXXHU-LJQANCHMSA-N 1 0 431.540 3.166 40 0 IGABRO [NH3+][C@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3cnccn3)n2)CC1 ZINC000072380009 569250171 /nfs/dbraw/zinc/25/01/71/569250171.db2.gz HAIBOOZQCUSMIY-AFMYVXGZSA-N 1 0 449.534 3.109 40 0 IGABRO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000009317735 569295339 /nfs/dbraw/zinc/29/53/39/569295339.db2.gz WFDQUOKRUGEQJS-PIXQIBFHSA-N 1 0 429.520 3.149 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=S)NCc1ccco1 ZINC000006193353 193890028 /nfs/dbraw/zinc/89/00/28/193890028.db2.gz LXVVXJOUXRJRTB-UHFFFAOYSA-N 1 0 442.585 3.348 40 0 IGABRO COc1ccc(Cl)cc1C(=O)NC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000004215333 132270960 /nfs/dbraw/zinc/27/09/60/132270960.db2.gz IRAICTQDUFYXMD-UHFFFAOYSA-N 1 0 444.963 3.309 40 0 in-man IGABRO CC1=C[C@@H](C[NH+]2CCC(C(N)=O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 ZINC000035442746 520882461 /nfs/dbraw/zinc/88/24/61/520882461.db2.gz HNQWBEHXAJTWHA-UFYCRDLUSA-N 1 0 440.592 3.065 40 0 biogenic,in-vitro IGABRO Cc1cc(-c2cnc(N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)nc2-c2ccco2)on1 ZINC000012184449 526045857 /nfs/dbraw/zinc/04/58/57/526045857.db2.gz QKLBVRUEXNXEMA-UHFFFAOYSA-N 1 0 436.516 3.010 40 0 IGABRO O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000030498638 556495348 /nfs/dbraw/zinc/49/53/48/556495348.db2.gz AJIOLGVHNPYFAT-UHFFFAOYSA-N 1 0 427.570 3.278 40 0 IGABRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030943054 556516656 /nfs/dbraw/zinc/51/66/56/556516656.db2.gz IBLJTPUETWTJDG-MRXNPFEDSA-N 1 0 430.476 3.480 40 0 IGABRO Cc1ccc(C)c(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000013669565 556550409 /nfs/dbraw/zinc/55/04/09/556550409.db2.gz BHULJXFLYWDZQM-UHFFFAOYSA-N 1 0 429.586 3.101 40 0 IGABRO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000013681150 556556788 /nfs/dbraw/zinc/55/67/88/556556788.db2.gz CHECTGYPCRRAMJ-UHFFFAOYSA-N 1 0 447.576 3.398 40 0 IGABRO O[C@@H]1C[C@@H]2C[N@H+](CCc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514289272 556625427 /nfs/dbraw/zinc/62/54/27/556625427.db2.gz KRJPWYODPKGWDH-DHIUTWEWSA-N 1 0 445.529 3.253 40 0 biogenic,in-vitro IGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1NC(C)=O ZINC000019022160 556693986 /nfs/dbraw/zinc/69/39/86/556693986.db2.gz JQYYYIWQBBDJMZ-NHCUHLMSSA-N 1 0 426.513 3.038 40 0 IGABRO C[N@@H+]1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257285894 556715698 /nfs/dbraw/zinc/71/56/98/556715698.db2.gz PJISSXWQJMJLOH-HXUWFJFHSA-N 1 0 426.524 3.062 40 0 IGABRO O=C(Cc1ccccc1F)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257303521 556717515 /nfs/dbraw/zinc/71/75/15/556717515.db2.gz SHOMUPSJHBOEJS-DGWZTRNLSA-N 1 0 440.559 3.058 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1c(F)cccc1F ZINC000257305092 556717705 /nfs/dbraw/zinc/71/77/05/556717705.db2.gz SOKHAKWVVIJJCV-TZBSWOFLSA-N 1 0 444.522 3.268 40 0 IGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 ZINC000019238688 556724030 /nfs/dbraw/zinc/72/40/30/556724030.db2.gz UYUBFIYIBCKXGX-IBGZPJMESA-N 1 0 435.553 3.070 40 0 IGABRO NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)no2)C1 ZINC000019333810 556737828 /nfs/dbraw/zinc/73/78/28/556737828.db2.gz WSBOBKHJLDJSES-KRWDZBQOSA-N 1 0 430.936 3.045 40 0 IGABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000019343433 556741030 /nfs/dbraw/zinc/74/10/30/556741030.db2.gz IWTHTCQNIOMIFD-SFHVURJKSA-N 1 0 438.601 3.374 40 0 IGABRO CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccc4ccccc4n3)[nH]c(=O)c2C1 ZINC000019448177 556757547 /nfs/dbraw/zinc/75/75/47/556757547.db2.gz PYLWOZKPSNORJD-JOCHJYFZSA-N 1 0 431.540 3.452 40 0 IGABRO COc1ccc(CN2CCc3nc(-c4ccncc4)nc(N[C@H](C)C[NH+](C)C)c3C2)cc1 ZINC000019455931 556765599 /nfs/dbraw/zinc/76/55/99/556765599.db2.gz GMXNQEQRJJONSH-GOSISDBHSA-N 1 0 432.572 3.468 40 0 IGABRO C[C@@H](CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2)n1cccn1 ZINC000019455305 556765640 /nfs/dbraw/zinc/76/56/40/556765640.db2.gz JMGLWOXSCHZQKF-UWJYYQICSA-N 1 0 438.576 3.384 40 0 IGABRO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)ccc2N1S(C)(=O)=O ZINC000019497857 556770278 /nfs/dbraw/zinc/77/02/78/556770278.db2.gz KZGJRDISBGFNIZ-HOYKHHGWSA-N 1 0 428.598 3.385 40 0 IGABRO CC[C@H](C)[NH+]1CCN(Cc2c3cc(C)cn(CC(=O)N(C)C)c-3nc2C(F)(F)F)CC1 ZINC000019499919 556771774 /nfs/dbraw/zinc/77/17/74/556771774.db2.gz MKZGKYLMPFMTCQ-INIZCTEOSA-N 1 0 439.526 3.319 40 0 IGABRO CCN(CC)c1ncc2c(cc(C3CC[NH+](CC(=O)N4CCCC[C@H]4C)CC3)[nH]c2=O)n1 ZINC000019526552 556784827 /nfs/dbraw/zinc/78/48/27/556784827.db2.gz DAVBPRBEKJCOSH-QGZVFWFLSA-N 1 0 440.592 3.157 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1OC ZINC000019560929 556802384 /nfs/dbraw/zinc/80/23/84/556802384.db2.gz JVVAAWXQMRFKSL-AREMUKBSSA-N 1 0 446.551 3.471 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(OC)c(OC)c3)CC1)C[C@@H]2O ZINC000019563036 556804139 /nfs/dbraw/zinc/80/41/39/556804139.db2.gz SKKINYRCJFFMBT-PMACEKPBSA-N 1 0 429.513 3.097 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)c1OC ZINC000019567833 556808266 /nfs/dbraw/zinc/80/82/66/556808266.db2.gz MWQJJGHUYMMUBQ-GOSISDBHSA-N 1 0 436.512 3.396 40 0 IGABRO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCCC3)C(=S)N[C@@H](C)CC)cc2c1 ZINC000004162128 556820548 /nfs/dbraw/zinc/82/05/48/556820548.db2.gz IKHQACNOFSSIQQ-KRWDZBQOSA-N 1 0 430.618 3.498 40 0 IGABRO COCCN1C[C@@H](c2cc(N(C)C)nc(C3CC[NH+](CC4CCCCC4)CC3)n2)CC1=O ZINC000019697477 556854676 /nfs/dbraw/zinc/85/46/76/556854676.db2.gz OOAUHXRIVYJJBX-NRFANRHFSA-N 1 0 443.636 3.265 40 0 IGABRO CCN(CC)C(=O)C[NH+]1CCC([C@@H]2CC=CCN(Cc3cccc(OC)c3)C2=O)CC1 ZINC000019698361 556856450 /nfs/dbraw/zinc/85/64/50/556856450.db2.gz DTICMMIRFPVNTN-QHCPKHFHSA-N 1 0 427.589 3.180 40 0 IGABRO COc1c(C)cccc1C[N@H+](C)Cc1ccc([C@H]2CN(C(C)=O)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698767 556857813 /nfs/dbraw/zinc/85/78/13/556857813.db2.gz NUFYCNJBLQHGDO-RPWUZVMVSA-N 1 0 437.584 3.286 40 0 IGABRO Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCC[N@H+](CCc4ccccc4)C3)nc2n(C)c1=O ZINC000019743491 556888276 /nfs/dbraw/zinc/88/82/76/556888276.db2.gz ITAGBMFDACTEMC-INIZCTEOSA-N 1 0 446.473 3.073 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(C)cc2)cc1 ZINC000409051445 556933210 /nfs/dbraw/zinc/93/32/10/556933210.db2.gz ADQBEFLMMMCOPP-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO COc1cccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(C)cc2)c1 ZINC000409060676 556937513 /nfs/dbraw/zinc/93/75/13/556937513.db2.gz SQURKYZGYLIDEP-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409054128 556938146 /nfs/dbraw/zinc/93/81/46/556938146.db2.gz MWPTUZBLXZPBBA-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3cccc(C)c3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409054722 556938296 /nfs/dbraw/zinc/93/82/96/556938296.db2.gz NMPDOWXODPLIRY-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000409069396 556942337 /nfs/dbraw/zinc/94/23/37/556942337.db2.gz MSCPDNTUEVFSOX-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)c3c(C)cc(C)n(C)c3=O)C2)[nH+]1 ZINC000072374989 556949721 /nfs/dbraw/zinc/94/97/21/556949721.db2.gz BQVNJHRTKBJBCP-SFHVURJKSA-N 1 0 432.528 3.259 40 0 IGABRO CCOc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)CCC2 ZINC000072392638 556964022 /nfs/dbraw/zinc/96/40/22/556964022.db2.gz UUKORAICQVTPAF-NXQMDHLFSA-N 1 0 439.556 3.111 40 0 IGABRO Cc1nc(C)c(CC(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2C[NH+](C)C)s1 ZINC000072394960 556966203 /nfs/dbraw/zinc/96/62/03/556966203.db2.gz SPENMEPGCDCQOD-RTWAWAEBSA-N 1 0 442.629 3.118 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc(OC)c1OC ZINC000072395322 556966738 /nfs/dbraw/zinc/96/67/38/556966738.db2.gz JMEXBZNPJGXFMV-CQSZACIVSA-N 1 0 433.459 3.467 40 0 IGABRO COc1ccc(OCC[NH+]2CCC([C@@H]3C[C@H](C(F)(F)F)n4ncnc4N3)CC2)cc1 ZINC000072395711 556968022 /nfs/dbraw/zinc/96/80/22/556968022.db2.gz XQDHVGLCNPETGM-ZWKOTPCHSA-N 1 0 425.455 3.365 40 0 IGABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H](c4ccccc4)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000072398721 556970664 /nfs/dbraw/zinc/97/06/64/556970664.db2.gz ALSBKKQFVFBFLU-REWPJTCUSA-N 1 0 434.584 3.438 40 0 IGABRO Cc1nn([C@@H](C)CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000072398786 556970839 /nfs/dbraw/zinc/97/08/39/556970839.db2.gz LSKBLZOGCTWWSS-BTYIYWSLSA-N 1 0 440.592 3.385 40 0 IGABRO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@H+](C)Cc4cccnc4)C3)CC2)c1 ZINC000585105112 557037943 /nfs/dbraw/zinc/03/79/43/557037943.db2.gz YKFPMNGPALMMEE-HSZRJFAPSA-N 1 0 439.556 3.242 40 0 IGABRO CCCN1CCN(C(=O)C(C)(C)[NH3+])C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000585183611 557139184 /nfs/dbraw/zinc/13/91/84/557139184.db2.gz NAUVAUNCZYMVDI-FQEVSTJZSA-N 1 0 437.584 3.339 40 0 IGABRO CCN1CC[C@]2(C[N@H+](CC(C)C)CC23CCN(C(=O)CCc2ccccc2)CC3)C1=O ZINC000096144331 557171996 /nfs/dbraw/zinc/17/19/96/557171996.db2.gz PPIJKNKDHCTOJX-SANMLTNESA-N 1 0 425.617 3.438 40 0 IGABRO COc1cccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)Nc2ccccc2)Cn2ccnc23)c1 ZINC000096144614 557173061 /nfs/dbraw/zinc/17/30/61/557173061.db2.gz XBWQYYMTLUUYCE-QFIPXVFZSA-N 1 0 432.524 3.421 40 0 IGABRO Cc1nc(-c2cc(C(=O)N3CCC[N@@H+](C)CC3)c3ccccn23)cn1Cc1cccnc1 ZINC000096266826 557192377 /nfs/dbraw/zinc/19/23/77/557192377.db2.gz UBMFLOCWNFDXBH-UHFFFAOYSA-N 1 0 428.540 3.332 40 0 IGABRO CCc1ccccc1NC(=O)CN1C[C@]2(NC(C)=O)C[N@H+](C)CC[C@@H]2[C@H]1c1ccccc1 ZINC000585262114 557200959 /nfs/dbraw/zinc/20/09/59/557200959.db2.gz NBALEMXJIATKLY-DNRSQYFGSA-N 1 0 434.584 3.071 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)ccc1OCCn1cccn1 ZINC000585271889 557216638 /nfs/dbraw/zinc/21/66/38/557216638.db2.gz PTXRWCLIPKZFSU-VWLOTQADSA-N 1 0 437.540 3.377 40 0 IGABRO COCC(=O)N1CC[N@@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283126 557222464 /nfs/dbraw/zinc/22/24/64/557222464.db2.gz PXCUVOMHFNTQRQ-RUZDIDTESA-N 1 0 432.605 3.173 40 0 IGABRO O[C@@]1(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC[C@@H](c2ccccc2)CC1 ZINC000585287313 557224258 /nfs/dbraw/zinc/22/42/58/557224258.db2.gz MKOCUEIEBORZGA-AMDXRBSFSA-N 1 0 447.522 3.496 40 0 IGABRO C[NH+]1CCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCOCC3)cn2)CC1 ZINC000224028017 557547377 /nfs/dbraw/zinc/54/73/77/557547377.db2.gz OIOGLWUYPVHKGZ-UHFFFAOYSA-N 1 0 443.592 3.007 40 0 IGABRO CN(c1ccc(Cl)c(C(=O)NCC[NH+](C)C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224347515 557595628 /nfs/dbraw/zinc/59/56/28/557595628.db2.gz YAQYOTYSEVDUSO-UHFFFAOYSA-N 1 0 430.357 3.110 40 0 IGABRO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224510134 557614613 /nfs/dbraw/zinc/61/46/13/557614613.db2.gz GUDCYOTZYJOEJZ-NRFANRHFSA-N 1 0 447.576 3.283 40 0 IGABRO CSc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1NC(C)=O ZINC000224519419 557615648 /nfs/dbraw/zinc/61/56/48/557615648.db2.gz AQUYHCHJAJHSEI-UHFFFAOYSA-N 1 0 433.599 3.441 40 0 IGABRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000224529366 557617123 /nfs/dbraw/zinc/61/71/23/557617123.db2.gz RIULHBBYPRBKQX-GOSISDBHSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1ccc(C)c(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000224611235 557630554 /nfs/dbraw/zinc/63/05/54/557630554.db2.gz UELMFQOCISGCSH-FQEVSTJZSA-N 1 0 443.613 3.370 40 0 IGABRO CCn1c2ccc(S(=O)(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2sc1=O ZINC000224641657 557634927 /nfs/dbraw/zinc/63/49/27/557634927.db2.gz COLHPTIUKNPHSZ-UHFFFAOYSA-N 1 0 431.583 3.157 40 0 IGABRO Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1C ZINC000224772006 557650197 /nfs/dbraw/zinc/65/01/97/557650197.db2.gz KZEVKHVUUZNYKX-FQEVSTJZSA-N 1 0 443.613 3.370 40 0 IGABRO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccccc1F)S(C)(=O)=O ZINC000224795557 557652110 /nfs/dbraw/zinc/65/21/10/557652110.db2.gz PEJYUSONRWQCQV-OAQYLSRUSA-N 1 0 447.576 3.283 40 0 IGABRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224824040 557655660 /nfs/dbraw/zinc/65/56/60/557655660.db2.gz SXEUOFJMBHNNHP-SFHVURJKSA-N 1 0 447.576 3.283 40 0 IGABRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000224844526 557657941 /nfs/dbraw/zinc/65/79/41/557657941.db2.gz WYSLAGWSOKZBPE-GOSISDBHSA-N 1 0 447.576 3.283 40 0 IGABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225213220 557701016 /nfs/dbraw/zinc/70/10/16/557701016.db2.gz WCRSOLWJRMDKBY-QGZVFWFLSA-N 1 0 445.576 3.282 40 0 IGABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000059294413 557819829 /nfs/dbraw/zinc/81/98/29/557819829.db2.gz RIINGAFFCROPHF-UHFFFAOYSA-N 1 0 432.318 3.240 40 0 IGABRO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2Cl)c1 ZINC000064198483 557832516 /nfs/dbraw/zinc/83/25/16/557832516.db2.gz FQPBDXQOOCIIQC-ZNVLZIIHSA-N 1 0 429.904 3.450 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260770984 557854583 /nfs/dbraw/zinc/85/45/83/557854583.db2.gz WCRSOLWJRMDKBY-KRWDZBQOSA-N 1 0 445.576 3.282 40 0 IGABRO C[C@@H]1C[N@@H+](CCC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)C[C@H](C)O1 ZINC000257225013 568676329 /nfs/dbraw/zinc/67/63/29/568676329.db2.gz FELWNLZRERFHBI-KDURUIRLSA-N 1 0 433.556 3.265 40 0 IGABRO C[NH+](C)CCOc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000257272836 568698723 /nfs/dbraw/zinc/69/87/23/568698723.db2.gz NEBUOFPGRWKCRA-GMAHTHKFSA-N 1 0 432.948 3.325 40 0 IGABRO CCn1c2ccc(NC(=O)C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cc(C)ncn3)cc2oc1=O ZINC000257285602 568704775 /nfs/dbraw/zinc/70/47/75/568704775.db2.gz PHXUQQZWPTVQRW-DBXWQHBBSA-N 1 0 449.555 3.242 40 0 IGABRO COc1cccc(C[C@H]2CC[C@@H]3C[N@H+](CC(=O)NCCc4nc5ccccc5[nH]4)C[C@H]23)c1 ZINC000257337396 568727632 /nfs/dbraw/zinc/72/76/32/568727632.db2.gz YSPVFDDTFRGSPT-KCZVDYSFSA-N 1 0 432.568 3.431 40 0 IGABRO Cc1nc(CN2CCC[C@]3(C[N@@H+](Cc4ccco4)C[C@H]3c3ccnn3C)C2=O)cs1 ZINC000306126089 568764205 /nfs/dbraw/zinc/76/42/05/568764205.db2.gz DMERQCZESZBRSW-SIKLNZKXSA-N 1 0 425.558 3.186 40 0 IGABRO O=C(NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3cc4ccccc4o3)C2)O1)C1CC(F)(F)C1 ZINC000306128971 568765366 /nfs/dbraw/zinc/76/53/66/568765366.db2.gz HPVUNBYDFYNIHR-XMSQKQJNSA-N 1 0 434.483 3.344 40 0 IGABRO COc1ccc(CN2C[C@@]3(CC[N@H+](CC4CC4)C3)Oc3ccccc3S2(=O)=O)cc1 ZINC000306128861 568765523 /nfs/dbraw/zinc/76/55/23/568765523.db2.gz HMXOLGVPYNQBQF-QHCPKHFHSA-N 1 0 428.554 3.133 40 0 IGABRO COc1ccc(CN2C[C@]3(CC[N@H+](CC4CC4)C3)Oc3ccccc3S2(=O)=O)cc1 ZINC000306128860 568765539 /nfs/dbraw/zinc/76/55/39/568765539.db2.gz HMXOLGVPYNQBQF-HSZRJFAPSA-N 1 0 428.554 3.133 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306130911 568766382 /nfs/dbraw/zinc/76/63/82/568766382.db2.gz JSIILKSMTNUHQN-NLFFAJNJSA-N 1 0 436.556 3.421 40 0 IGABRO O=S1(=O)N(CC2CC2)c2ccccc2C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000306141997 568772447 /nfs/dbraw/zinc/77/24/47/568772447.db2.gz WMFVRJGALSJTLK-UHFFFAOYSA-N 1 0 426.538 3.466 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccncc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306143826 568773380 /nfs/dbraw/zinc/77/33/80/568773380.db2.gz YNQANIFDPKKRRV-RDGATRHJSA-N 1 0 430.556 3.272 40 0 IGABRO Cc1cc(Br)cc(C)c1Nc1cc(C(F)(F)F)nc(NCC[NH+](C)C)n1 ZINC000329019937 568809524 /nfs/dbraw/zinc/80/95/24/568809524.db2.gz NZXYYGULKZRJHE-UHFFFAOYSA-N 1 0 432.288 3.436 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccccn2)n1 ZINC000329055384 568810507 /nfs/dbraw/zinc/81/05/07/568810507.db2.gz VNPNYQYFYNXYSE-UHFFFAOYSA-N 1 0 445.340 3.391 40 0 IGABRO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c(C)c1C ZINC000247891093 569206354 /nfs/dbraw/zinc/20/63/54/569206354.db2.gz VNBRLJQQUNOKSN-MFSJNOQSSA-N 1 0 427.545 3.239 40 0 IGABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019590209 569227267 /nfs/dbraw/zinc/22/72/67/569227267.db2.gz ALSBKKQFVFBFLU-NFBKMPQASA-N 1 0 434.584 3.438 40 0 IGABRO O=C(NCc1cnn(-c2ccccc2)c1[C@H]1CC[N@@H+](C2CCOCC2)C1)c1cccnc1 ZINC000019708003 569234608 /nfs/dbraw/zinc/23/46/08/569234608.db2.gz LIIHQPXPZSDHIT-FQEVSTJZSA-N 1 0 431.540 3.166 40 0 IGABRO C[N@H+](CCC(=O)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1)Cc1ccccn1 ZINC000019713796 569235815 /nfs/dbraw/zinc/23/58/15/569235815.db2.gz XOLRXYRCYSMUEN-RPWUZVMVSA-N 1 0 434.584 3.476 40 0 IGABRO CN(C)C(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000019739049 569236408 /nfs/dbraw/zinc/23/64/08/569236408.db2.gz QMBCJRSMUHJDHV-DEOSSOPVSA-N 1 0 430.593 3.058 40 0 IGABRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(Oc4ncccn4)c3)C2)ncc1C(=O)N(C)C ZINC000019763632 569238020 /nfs/dbraw/zinc/23/80/20/569238020.db2.gz RNEVIJUNTUHFTK-LJQANCHMSA-N 1 0 432.528 3.449 40 0 IGABRO CC(C)NC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(CC1CC1)CC2=O ZINC000253409001 569265520 /nfs/dbraw/zinc/26/55/20/569265520.db2.gz ZGGFNBPEWBSMCG-BQNLEMKZSA-N 1 0 439.600 3.227 40 0 IGABRO O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@H]1CCC[NH2+]1 ZINC000095560529 132225559 /nfs/dbraw/zinc/22/55/59/132225559.db2.gz ISOCDPQFIXDIMS-HSZRJFAPSA-N 1 0 444.539 3.414 40 0 in-man IGABRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)C2 ZINC000022805061 520642407 /nfs/dbraw/zinc/64/24/07/520642407.db2.gz BZRSTTSQTVDAQJ-BBLPPJRLSA-N 1 0 430.589 3.125 40 0 IGABRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(OCC(F)(F)F)c(O)cc1OCC(F)(F)F ZINC000021986210 526590063 /nfs/dbraw/zinc/59/00/63/526590063.db2.gz QUXZMOOURSXVFW-SNVBAGLBSA-N 1 0 430.345 3.146 40 0 IGABRO O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCCC[NH+]1CCCCCC1 ZINC000020483762 526826591 /nfs/dbraw/zinc/82/65/91/526826591.db2.gz FFWQIJIWBJYQFS-UHFFFAOYSA-N 1 0 445.560 3.384 40 0 IGABRO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000030947307 556517597 /nfs/dbraw/zinc/51/75/97/556517597.db2.gz SNFHEYPFRHRZBC-UHFFFAOYSA-N 1 0 441.597 3.209 40 0 IGABRO [NH3+][C@H](Cc1ccccc1)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000033989306 556570518 /nfs/dbraw/zinc/57/05/18/556570518.db2.gz HBPTXDXGWDVDON-CEMLEFRQSA-N 1 0 425.554 3.302 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000044838673 556668087 /nfs/dbraw/zinc/66/80/87/556668087.db2.gz AZEMUHINBWOPGI-QFIPXVFZSA-N 1 0 435.634 3.387 40 0 IGABRO Cc1cc(C)cc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000044871595 556673137 /nfs/dbraw/zinc/67/31/37/556673137.db2.gz DIFDHDLHGSEUPX-FQEVSTJZSA-N 1 0 443.613 3.370 40 0 IGABRO C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000044873899 556673662 /nfs/dbraw/zinc/67/36/62/556673662.db2.gz PPOGDUBDGJZEKI-LJQANCHMSA-N 1 0 429.586 3.143 40 0 IGABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)c1ccccc1F ZINC000257328489 556705560 /nfs/dbraw/zinc/70/55/60/556705560.db2.gz XFVDFVHEDCQPJS-GNKBHMEESA-N 1 0 440.559 3.254 40 0 IGABRO O=C(/C=C/c1ccccc1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257334638 556706330 /nfs/dbraw/zinc/70/63/30/556706330.db2.gz YGTCIQDZKOHHHC-OMNMMPEASA-N 1 0 434.580 3.390 40 0 IGABRO COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCn3nc(C)cc3C)cc2)c1 ZINC000257341634 556707028 /nfs/dbraw/zinc/70/70/28/556707028.db2.gz ZLFVDNMOTARTNW-QFIPXVFZSA-N 1 0 439.556 3.459 40 0 IGABRO COc1cccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCn3nc(C)cc3C)cc2)c1 ZINC000257341633 556707175 /nfs/dbraw/zinc/70/71/75/556707175.db2.gz ZLFVDNMOTARTNW-JOCHJYFZSA-N 1 0 439.556 3.459 40 0 IGABRO COC1(COc2ccc(C)cc2C)CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000257234214 556709695 /nfs/dbraw/zinc/70/96/95/556709695.db2.gz GSPHMUISCVLHJQ-UHFFFAOYSA-N 1 0 440.540 3.208 40 0 IGABRO O=C(CN1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1)NC(c1ccccc1)c1ccccc1 ZINC000257287964 556715613 /nfs/dbraw/zinc/71/56/13/556715613.db2.gz PSFPRSMMMWWIBC-DEOSSOPVSA-N 1 0 443.538 3.060 40 0 IGABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)c3cccc(F)c3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257295928 556716837 /nfs/dbraw/zinc/71/68/37/556716837.db2.gz RAMDCIIGRCADBX-GNKBHMEESA-N 1 0 439.575 3.044 40 0 IGABRO O=C(C1CCCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343610 556741477 /nfs/dbraw/zinc/74/14/77/556741477.db2.gz PUWRFTIUZDSTDP-QGZVFWFLSA-N 1 0 426.586 3.286 40 0 IGABRO O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019404897 556754432 /nfs/dbraw/zinc/75/44/32/556754432.db2.gz FIUMVBZUNZKESM-JOCHJYFZSA-N 1 0 435.572 3.471 40 0 IGABRO COc1ccc2cc(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)[nH]c2c1 ZINC000019448409 556758014 /nfs/dbraw/zinc/75/80/14/556758014.db2.gz ZNLLNEQJAKADKP-OAQYLSRUSA-N 1 0 435.528 3.416 40 0 IGABRO COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3nc4c(c(=O)[nH]3)CC[N@@H+](C(C)C)C4)cc21 ZINC000019448393 556758058 /nfs/dbraw/zinc/75/80/58/556758058.db2.gz XKBPAEUHHMCFJJ-HXUWFJFHSA-N 1 0 435.528 3.416 40 0 IGABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450126 556760992 /nfs/dbraw/zinc/76/09/92/556760992.db2.gz NGEMZYXDHOORCY-PMACEKPBSA-N 1 0 425.552 3.346 40 0 IGABRO COc1cccc(C[NH+]2CCC(c3n[nH]cc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000019497334 556769931 /nfs/dbraw/zinc/76/99/31/556769931.db2.gz BOCARGOMVYVZFV-CALCHBBNSA-N 1 0 442.560 3.056 40 0 IGABRO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(O)(c4ccccc4OC)CC3)ccc21 ZINC000019498878 556770681 /nfs/dbraw/zinc/77/06/81/556770681.db2.gz NZZUNHVJIFFLSJ-HSZRJFAPSA-N 1 0 438.568 3.401 40 0 IGABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000019499327 556771076 /nfs/dbraw/zinc/77/10/76/556771076.db2.gz PCTXDFPXCDUXCF-YADHBBJMSA-N 1 0 440.540 3.428 40 0 IGABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 ZINC000019551495 556795724 /nfs/dbraw/zinc/79/57/24/556795724.db2.gz CZKFAEYRVOYFPS-AREMUKBSSA-N 1 0 446.551 3.471 40 0 IGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019562214 556803586 /nfs/dbraw/zinc/80/35/86/556803586.db2.gz KWOFTCDBFNKTBP-RTWAWAEBSA-N 1 0 441.524 3.241 40 0 IGABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CSc2nncc3ccccc32)cc1 ZINC000019690909 556846826 /nfs/dbraw/zinc/84/68/26/556846826.db2.gz FTGBUAVZRCCASX-UHFFFAOYSA-N 1 0 437.569 3.432 40 0 IGABRO CNc1nc([C@H]2CCC[NH2+]2)nc2c1CCN(C(=O)c1c(C)n(CCOC)c3ccccc31)C2 ZINC000019707493 556867427 /nfs/dbraw/zinc/86/74/27/556867427.db2.gz RMTMYCHLYNFFEE-LJQANCHMSA-N 1 0 448.571 3.051 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2CCc1ccccc1 ZINC000019739578 556878373 /nfs/dbraw/zinc/87/83/73/556878373.db2.gz JGOUNMXQEQUJRE-JOCHJYFZSA-N 1 0 449.599 3.312 40 0 IGABRO COc1ccc(CN2C(=O)Cc3c2nc([C@H]2CCC[N@@H+](C4CCOCC4)C2)nc3C)cc1 ZINC000019743911 556889111 /nfs/dbraw/zinc/88/91/11/556889111.db2.gz LVFGVDKEQLXHCJ-IBGZPJMESA-N 1 0 436.556 3.241 40 0 IGABRO COCCOc1cccc(C[N@@H+]2CCC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c1 ZINC000019762981 556907758 /nfs/dbraw/zinc/90/77/58/556907758.db2.gz ZLBPDHWJZWRMLD-OAQYLSRUSA-N 1 0 438.572 3.426 40 0 IGABRO O=c1c2c(nc(N3CCCC3)n1CCO)CC[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000072347611 556918639 /nfs/dbraw/zinc/91/86/39/556918639.db2.gz DBPSSAQETZPNKN-UHFFFAOYSA-N 1 0 430.552 3.061 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Nc3ccccn3)cn2)ccc1OCC(N)=O ZINC000072353180 556925698 /nfs/dbraw/zinc/92/56/98/556925698.db2.gz LQGUASJFCWMEIE-HXUWFJFHSA-N 1 0 433.512 3.430 40 0 IGABRO CN(C)c1cc(C[NH+](C)C)nc([C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1 ZINC000072370116 556933770 /nfs/dbraw/zinc/93/37/70/556933770.db2.gz ZYRZZSKDYXEMQV-IBGZPJMESA-N 1 0 427.568 3.472 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409055975 556933884 /nfs/dbraw/zinc/93/38/84/556933884.db2.gz BVUKEIZACHMSEH-WSBKAMHLSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409070803 556944906 /nfs/dbraw/zinc/94/49/06/556944906.db2.gz NGSVNENTKYUSQI-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4ccc(=O)n(C)c4)C3)c2)n1 ZINC000072374981 556949822 /nfs/dbraw/zinc/94/98/22/556949822.db2.gz XJRIKKBQFJUBSB-GOSISDBHSA-N 1 0 432.528 3.259 40 0 IGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4c[nH]nc4C(C)(C)C)C[C@H]32)c(OCC)n1 ZINC000072392658 556963997 /nfs/dbraw/zinc/96/39/97/556963997.db2.gz UXXHUGSEEWVPSE-TUVUNVSASA-N 1 0 429.565 3.024 40 0 IGABRO Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000072398787 556970802 /nfs/dbraw/zinc/97/08/02/556970802.db2.gz XGUFEUCPETYMAY-QVKFZJNVSA-N 1 0 440.592 3.070 40 0 IGABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCCC3)C4)C2)CC1 ZINC000257295925 556999847 /nfs/dbraw/zinc/99/98/47/556999847.db2.gz RALVANCGTIJBAH-QWFCFKBJSA-N 1 0 442.604 3.394 40 0 IGABRO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@H+](C)Cc4cccnc4)C3)CC2)cc1 ZINC000585103755 557036375 /nfs/dbraw/zinc/03/63/75/557036375.db2.gz IUVWEKACOFVCCB-XMMPIXPASA-N 1 0 436.600 3.220 40 0 IGABRO CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)cc2OC)CC1 ZINC000585106328 557039950 /nfs/dbraw/zinc/03/99/50/557039950.db2.gz VCEFGKFELZEFAZ-IPELMVKDSA-N 1 0 433.980 3.190 40 0 IGABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101506751 557124377 /nfs/dbraw/zinc/12/43/77/557124377.db2.gz XRIBIFLLYHAMCH-ZIFCJYIRSA-N 1 0 442.025 3.025 40 0 IGABRO CC[NH+](CC)CCCNC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000006193135 557148196 /nfs/dbraw/zinc/14/81/96/557148196.db2.gz OANMRZZLCFGREH-NRFANRHFSA-N 1 0 444.645 3.424 40 0 IGABRO [NH3+][C@@H]1C[C@H]1c1cccc(OCC[C@@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1 ZINC000094568752 557155059 /nfs/dbraw/zinc/15/50/59/557155059.db2.gz DTPSXFMGMQOVTG-ISJGIBHGSA-N 1 0 443.547 3.385 40 0 in-vitro IGABRO CC(C)CN1CC2(CC[NH+](Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037159 557164097 /nfs/dbraw/zinc/16/40/97/557164097.db2.gz GGNBKVVAOYUQGM-UHFFFAOYSA-N 1 0 429.586 3.403 40 0 IGABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)s1 ZINC000096056146 557167173 /nfs/dbraw/zinc/16/71/73/557167173.db2.gz SCISQOSKZZOLJG-CVDCTZTESA-N 1 0 425.602 3.091 40 0 IGABRO CC(C)N1CC[N@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21 ZINC000096156800 557182170 /nfs/dbraw/zinc/18/21/70/557182170.db2.gz YUKYIOTXOXWBNS-HSZRJFAPSA-N 1 0 446.599 3.179 40 0 IGABRO COc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](CCOc2ccccc2)C3)cc1 ZINC000096216408 557184012 /nfs/dbraw/zinc/18/40/12/557184012.db2.gz JQFOPZJNRARERL-QHCPKHFHSA-N 1 0 430.570 3.251 40 0 IGABRO Cc1cccc(C[NH+]2CCC3(CC2)C(=O)N(c2cnn(C)c2)CCN3Cc2ccccc2)n1 ZINC000096230348 557184708 /nfs/dbraw/zinc/18/47/08/557184708.db2.gz ABJCCPAMMHRASW-UHFFFAOYSA-N 1 0 444.583 3.007 40 0 IGABRO Cc1ccc(N2CCN(Cc3ccccc3)C3(CC[NH+](C4CCOCC4)CC3)C2=O)cn1 ZINC000096230406 557184923 /nfs/dbraw/zinc/18/49/23/557184923.db2.gz REAJCQCHDSKKBU-UHFFFAOYSA-N 1 0 434.584 3.252 40 0 IGABRO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)c2ccccc2C)CC3)C1=O ZINC000096262813 557190466 /nfs/dbraw/zinc/19/04/66/557190466.db2.gz WSORJLRYIPNOAX-HHHXNRCGSA-N 1 0 446.595 3.367 40 0 IGABRO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCC1 ZINC000010450036 557221853 /nfs/dbraw/zinc/22/18/53/557221853.db2.gz KHSFDLPRSLKOJS-UHFFFAOYSA-N 1 0 435.977 3.137 40 0 IGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382352 557236985 /nfs/dbraw/zinc/23/69/85/557236985.db2.gz OYUPCMBUIMUOBE-GXRSIYKFSA-N 1 0 447.526 3.124 40 0 biogenic,in-vitro IGABRO O=C(CCn1cnc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000604404070 557246890 /nfs/dbraw/zinc/24/68/90/557246890.db2.gz BJGCBMMPSDOBCG-IWVMGURDSA-N 1 0 432.568 3.208 40 0 IGABRO Clc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020140790 557515956 /nfs/dbraw/zinc/51/59/56/557515956.db2.gz BMFJJYUOOXTTKS-RTWAWAEBSA-N 1 0 430.984 3.155 40 0 IGABRO CC1(C)N=C2N(C#N)CN(Cc3ccccc3)CN2[C@@H]2CC[N@H+](Cc3ccccc3)C=C21 ZINC000054473540 557543332 /nfs/dbraw/zinc/54/33/32/557543332.db2.gz UARUSFIANQDDPZ-XMMPIXPASA-N 1 0 426.568 3.281 40 0 IGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000224628755 557632992 /nfs/dbraw/zinc/63/29/92/557632992.db2.gz PELUMXDPBFHDKM-UHFFFAOYSA-N 1 0 441.597 3.387 40 0 IGABRO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000224631284 557633540 /nfs/dbraw/zinc/63/35/40/557633540.db2.gz KRUNFMBBWQFTFY-NRFANRHFSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1cc(C)cc(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1 ZINC000224653163 557636409 /nfs/dbraw/zinc/63/64/09/557636409.db2.gz HQWMAIDGWVTIBD-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224704649 557642493 /nfs/dbraw/zinc/64/24/93/557642493.db2.gz HRVZTKYXRYHEEY-UHFFFAOYSA-N 1 0 441.597 3.387 40 0 IGABRO Cc1cccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1C ZINC000224815831 557655036 /nfs/dbraw/zinc/65/50/36/557655036.db2.gz IGWBIDZPCISWPS-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO Cc1oc(-c2cccs2)nc1C[S@](=O)CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008584057 562949947 /nfs/dbraw/zinc/94/99/47/562949947.db2.gz QGYSEQCMSZKWQJ-HDBFXVAESA-N 1 0 437.631 3.444 40 0 IGABRO Cc1cccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000260895137 568628318 /nfs/dbraw/zinc/62/83/18/568628318.db2.gz IPOCYMVWPFWFIX-LJQANCHMSA-N 1 0 429.586 3.062 40 0 IGABRO C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257204542 568667195 /nfs/dbraw/zinc/66/71/95/568667195.db2.gz AVCIWDSVSBPMTM-JOCHJYFZSA-N 1 0 435.565 3.182 40 0 IGABRO C[C@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000257204543 568667316 /nfs/dbraw/zinc/66/73/16/568667316.db2.gz AVCIWDSVSBPMTM-QFIPXVFZSA-N 1 0 435.565 3.182 40 0 IGABRO C[NH+](C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000257224716 568676383 /nfs/dbraw/zinc/67/63/83/568676383.db2.gz FCZZTAJAONPHDB-SFHVURJKSA-N 1 0 436.581 3.146 40 0 IGABRO COc1ccc(C)cc1C[NH+]1CCC(c2nnc([C@@H]3CCCCN3S(C)(=O)=O)o2)CC1 ZINC000257234656 568681265 /nfs/dbraw/zinc/68/12/65/568681265.db2.gz GUNTVXBXXNSIJW-IBGZPJMESA-N 1 0 448.589 3.253 40 0 IGABRO CN1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000257263954 568694909 /nfs/dbraw/zinc/69/49/09/568694909.db2.gz LSEWLWYMXYZAHV-UHFFFAOYSA-N 1 0 449.595 3.081 40 0 IGABRO C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257316428 568718325 /nfs/dbraw/zinc/71/83/25/568718325.db2.gz VFNUEVXJBJRFKC-QHCPKHFHSA-N 1 0 447.539 3.374 40 0 IGABRO NC(=O)c1cnn2c1nccc2[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000257330806 568724704 /nfs/dbraw/zinc/72/47/04/568724704.db2.gz XQDLHFAEJSPBMN-OAQYLSRUSA-N 1 0 446.555 3.182 40 0 IGABRO Cc1ccc(F)c(NC(=O)CN2CC[C@@]3(CCC[N@@H+]3CCc3ccccc3)[C@@H](O)C2)c1 ZINC000257331114 568724959 /nfs/dbraw/zinc/72/49/59/568724959.db2.gz XRKPUJMSSGEPPW-ZCYQVOJMSA-N 1 0 425.548 3.217 40 0 IGABRO C[N@@H+]1CCN(C(=O)c2ccnc(-c3cncnc3)c2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257337603 568727676 /nfs/dbraw/zinc/72/76/76/568727676.db2.gz YTNCEJHEHZTAAN-IBGZPJMESA-N 1 0 438.535 3.333 40 0 IGABRO C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257342260 568729461 /nfs/dbraw/zinc/72/94/61/568729461.db2.gz ZNUXLPSRRAFRRL-HXUWFJFHSA-N 1 0 437.519 3.452 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccn3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306129609 568765911 /nfs/dbraw/zinc/76/59/11/568765911.db2.gz IHZVWBORQPNPJG-WIOPSUGQSA-N 1 0 430.556 3.272 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1ccccc1F)C[C@@H]2c1cccnc1 ZINC000306129700 568765941 /nfs/dbraw/zinc/76/59/41/568765941.db2.gz IKJLMXRKKDDTFB-RDGATRHJSA-N 1 0 432.499 3.013 40 0 IGABRO Cc1cc(C)cc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133389 568767951 /nfs/dbraw/zinc/76/79/51/568767951.db2.gz MKBKOLOQFVZTGD-BDYUSTAISA-N 1 0 442.563 3.491 40 0 IGABRO COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000306140068 568771441 /nfs/dbraw/zinc/77/14/41/568771441.db2.gz UIPISTILPNEZJS-UHFFFAOYSA-N 1 0 425.464 3.251 40 0 IGABRO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101344171 568782161 /nfs/dbraw/zinc/78/21/61/568782161.db2.gz JTUKBNQXECTJOR-NWFVXXGESA-N 1 0 439.874 3.219 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Br)cc(C(F)(F)F)n1 ZINC000328993811 568808610 /nfs/dbraw/zinc/80/86/10/568808610.db2.gz JCMDXBPEZHVJNL-UHFFFAOYSA-N 1 0 436.251 3.348 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccncc2)n1 ZINC000329004282 568809121 /nfs/dbraw/zinc/80/91/21/568809121.db2.gz KQVCESORTGSRIR-UHFFFAOYSA-N 1 0 431.313 3.001 40 0 IGABRO O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000015998845 568862280 /nfs/dbraw/zinc/86/22/80/568862280.db2.gz ATPCUYQGOXKMIT-KLSTYFJDSA-N 1 0 442.302 3.425 40 0 IGABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000248332784 569207665 /nfs/dbraw/zinc/20/76/65/569207665.db2.gz JHHADXBOPIGYET-SNYIIPAISA-N 1 0 437.540 3.367 40 0 IGABRO O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCCCCC1 ZINC000010111138 569221160 /nfs/dbraw/zinc/22/11/60/569221160.db2.gz LRRJRDYNZCZBOE-UHFFFAOYSA-N 1 0 447.576 3.403 40 0 IGABRO CCOC(=O)[C@@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2cncn2C)C1 ZINC000019530077 569226766 /nfs/dbraw/zinc/22/67/66/569226766.db2.gz LBYJGURMPUJQAJ-NFBKMPQASA-N 1 0 428.508 3.288 40 0 IGABRO CCOC(=O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](Cc2cncn2C)C1 ZINC000019530079 569226800 /nfs/dbraw/zinc/22/68/00/569226800.db2.gz LBYJGURMPUJQAJ-OFNKIYASSA-N 1 0 428.508 3.288 40 0 IGABRO COc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC1)O2 ZINC000019498016 569226818 /nfs/dbraw/zinc/22/68/18/569226818.db2.gz HAKFMMFVEYQFHK-USCONSEESA-N 1 0 425.525 3.403 40 0 IGABRO CCc1ncc(C[NH+]2CCC(c3nc(-c4ccc(OC)cc4)c(C(=O)NC)[nH]3)CC2)cn1 ZINC000019696985 569229924 /nfs/dbraw/zinc/22/99/24/569229924.db2.gz GEDSCNJNTFZOAW-UHFFFAOYSA-N 1 0 434.544 3.177 40 0 IGABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000019699350 569230485 /nfs/dbraw/zinc/23/04/85/569230485.db2.gz MAOUDOLZGUAAIV-UHFFFAOYSA-N 1 0 438.572 3.010 40 0 IGABRO COc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3cccc4ncccc34)Cc3cn(C)nc32)cc1 ZINC000019701531 569231508 /nfs/dbraw/zinc/23/15/08/569231508.db2.gz MITOBNPFVFFVRN-QHCPKHFHSA-N 1 0 441.535 3.393 40 0 IGABRO COc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3cccc4ncccc34)Cc3cn(C)nc32)cc1 ZINC000019701530 569231533 /nfs/dbraw/zinc/23/15/33/569231533.db2.gz MITOBNPFVFFVRN-HSZRJFAPSA-N 1 0 441.535 3.393 40 0 IGABRO COc1c(C)cccc1C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702603 569232304 /nfs/dbraw/zinc/23/23/04/569232304.db2.gz ZXAMUFYNTLWGHA-INIZCTEOSA-N 1 0 425.554 3.325 40 0 IGABRO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccc(F)cc3)[N@H+]2Cc2ccnc(N3CCCC3)n2)N1 ZINC000019713942 569235819 /nfs/dbraw/zinc/23/58/19/569235819.db2.gz BIEKJMUQWIGZDG-XPWALMASSA-N 1 0 437.563 3.460 40 0 IGABRO Cc1nc([C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019758003 569237376 /nfs/dbraw/zinc/23/73/76/569237376.db2.gz DISZNFAKTHGLMY-SFHVURJKSA-N 1 0 439.535 3.224 40 0 IGABRO Cc1nc([C@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019757959 569237421 /nfs/dbraw/zinc/23/74/21/569237421.db2.gz FCCAHIMHUNFCEB-KRWDZBQOSA-N 1 0 441.963 3.493 40 0 IGABRO CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218623945 569458838 /nfs/dbraw/zinc/45/88/38/569458838.db2.gz NHXYXGLVSUDYEB-ZIFCJYIRSA-N 1 0 428.337 3.441 40 0 IGABRO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218647501 569459002 /nfs/dbraw/zinc/45/90/02/569459002.db2.gz QSZSISYOCBVXGG-QTEQDKRBSA-N 1 0 430.570 3.411 40 0 IGABRO Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000242620229 569462090 /nfs/dbraw/zinc/46/20/90/569462090.db2.gz PZNWUMMNDSWCMW-TXTKFYIRSA-N 1 0 430.570 3.465 40 0 IGABRO COCCCNC(=O)[C@@H]1Cc2cn(Cc3nccn3C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171989 291356729 /nfs/dbraw/zinc/35/67/29/291356729.db2.gz ZTKYATLVUNKHHA-SFTDATJTSA-N 1 0 437.588 3.177 40 0 biogenic,in-vitro IGABRO COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000006198552 193892295 /nfs/dbraw/zinc/89/22/95/193892295.db2.gz VNDHZWOUBZDFIA-UHFFFAOYSA-N 1 0 444.626 3.427 40 0 IGABRO CC(=O)Nc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000020503338 519708310 /nfs/dbraw/zinc/70/83/10/519708310.db2.gz ZDEOFOIOLSXTMZ-PKOBYXMFSA-N 1 0 433.508 3.178 40 0 biogenic,in-vitro IGABRO CCn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1 ZINC000012235436 523370781 /nfs/dbraw/zinc/37/07/81/523370781.db2.gz CAWWJAGKNUFFDO-DVECYGJZSA-N 1 0 426.561 3.242 40 0 IGABRO CCn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)c(C)n1 ZINC000012235441 523374087 /nfs/dbraw/zinc/37/40/87/523374087.db2.gz CAWWJAGKNUFFDO-CYFREDJKSA-N 1 0 426.561 3.242 40 0 IGABRO CO[C@H]1CCc2nc(C)c(CC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)c(=O)n2C1 ZINC000022059377 524005028 /nfs/dbraw/zinc/00/50/28/524005028.db2.gz DJOZJQFKYPYSCC-SFHVURJKSA-N 1 0 440.519 3.215 40 0 in-vitro IGABRO Cc1cc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cc(C)c1O ZINC000012186617 524676413 /nfs/dbraw/zinc/67/64/13/524676413.db2.gz DEKVWTFGMDAFMK-UHFFFAOYSA-N 1 0 425.554 3.321 40 0 IGABRO O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CC[NH+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000012480954 527630449 /nfs/dbraw/zinc/63/04/49/527630449.db2.gz SVJXCJROFMLTFM-NEWJYFPISA-N 1 0 449.595 3.271 40 0 biogenic,in-vitro IGABRO O[C@@H](COCCOc1ccc(F)cc1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000041690285 527657497 /nfs/dbraw/zinc/65/74/97/527657497.db2.gz BJWFDEMYVKXGMV-HXUWFJFHSA-N 1 0 442.453 3.423 40 0 IGABRO O=C(NCCC[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000007924121 556147217 /nfs/dbraw/zinc/14/72/17/556147217.db2.gz CWPKJSBQUWANSN-UHFFFAOYSA-N 1 0 427.998 3.120 40 0 IGABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000043730578 556186909 /nfs/dbraw/zinc/18/69/09/556186909.db2.gz FKANVUAATCYCSN-RXKDXDIWSA-N 1 0 448.361 3.014 40 0 IGABRO Cc1ccc(C[NH+]2CCC(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)CC2)cc1 ZINC000039744687 556438113 /nfs/dbraw/zinc/43/81/13/556438113.db2.gz IIMGPLWTNJZZNV-UHFFFAOYSA-N 1 0 441.597 3.047 40 0 IGABRO CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)ccc21 ZINC000015360796 556523306 /nfs/dbraw/zinc/52/33/06/556523306.db2.gz YOCXGBWIABSOSE-UHFFFAOYSA-N 1 0 441.597 3.450 40 0 IGABRO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCCC1 ZINC000013646542 556543887 /nfs/dbraw/zinc/54/38/87/556543887.db2.gz YOOOWNHSKKLZCL-UHFFFAOYSA-N 1 0 435.977 3.137 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccc(Cl)cc2C)cc1 ZINC000013648066 556544759 /nfs/dbraw/zinc/54/47/59/556544759.db2.gz WSLNPHGSMYMDLX-UHFFFAOYSA-N 1 0 437.993 3.220 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013669760 556550778 /nfs/dbraw/zinc/55/07/78/556550778.db2.gz XAWARFLZIJJYTL-UHFFFAOYSA-N 1 0 444.384 3.175 40 0 IGABRO Cc1cccc(N(CC(=O)NCCC[NH+]2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000013671292 556552027 /nfs/dbraw/zinc/55/20/27/556552027.db2.gz APPHJBJOIDSGGA-UHFFFAOYSA-N 1 0 429.586 3.183 40 0 IGABRO Cc1ccc(Cl)cc1N(CCCC(=O)NCC[NH+]1CCCCCC1)S(C)(=O)=O ZINC000013677201 556555171 /nfs/dbraw/zinc/55/51/71/556555171.db2.gz JTKVALIWOOYZDK-UHFFFAOYSA-N 1 0 430.014 3.187 40 0 IGABRO O=C(NCc1ccc(CN2CCOCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000038831413 556622138 /nfs/dbraw/zinc/62/21/38/556622138.db2.gz BIKLABJPQHGVNX-UHFFFAOYSA-N 1 0 425.548 3.186 40 0 IGABRO Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1C ZINC000044871585 556673175 /nfs/dbraw/zinc/67/31/75/556673175.db2.gz PPLULLUMKDXMGR-FQEVSTJZSA-N 1 0 443.613 3.370 40 0 IGABRO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000044872581 556673316 /nfs/dbraw/zinc/67/33/16/556673316.db2.gz DSPFEEVMFBFJEA-HSZRJFAPSA-N 1 0 443.613 3.452 40 0 IGABRO Cc1cc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1N1CCCC1=O ZINC000044872732 556673411 /nfs/dbraw/zinc/67/34/11/556673411.db2.gz DQOAAJDYQMHLOH-UHFFFAOYSA-N 1 0 427.570 3.196 40 0 IGABRO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044874383 556673736 /nfs/dbraw/zinc/67/37/36/556673736.db2.gz PQMSVHWPTULLDG-UHFFFAOYSA-N 1 0 429.586 3.388 40 0 IGABRO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044899725 556676400 /nfs/dbraw/zinc/67/64/00/556676400.db2.gz UGENORYFQYURJU-QHCPKHFHSA-N 1 0 449.661 3.043 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1cc2ccccc2[nH]1 ZINC000257208703 556702289 /nfs/dbraw/zinc/70/22/89/556702289.db2.gz BNIBLKXFBFBIJN-RGSZASNESA-N 1 0 447.579 3.471 40 0 IGABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCO4)CC1)O2 ZINC000019125191 556703244 /nfs/dbraw/zinc/70/32/44/556703244.db2.gz ZESWEVRIIIUSCH-RTWAWAEBSA-N 1 0 425.525 3.459 40 0 IGABRO CC(=O)N[C@]12C[N@H+](CCOc3ccc(F)cc3)[C@H](c3ccccc3)[C@H]1CN(C(C)=O)CC2 ZINC000257340735 556707220 /nfs/dbraw/zinc/70/72/20/556707220.db2.gz ZHIKJMXDNUTCIP-UBFVSLLYSA-N 1 0 439.531 3.005 40 0 IGABRO Cc1ccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)cc1 ZINC000257242591 556710651 /nfs/dbraw/zinc/71/06/51/556710651.db2.gz IDGDMIDIZNUIEQ-KLJDGLGGSA-N 1 0 436.596 3.423 40 0 IGABRO Cc1nc(C)c(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)s1 ZINC000257250121 556711288 /nfs/dbraw/zinc/71/12/88/556711288.db2.gz JLCRJZDGSWUYGA-PQNGQFLHSA-N 1 0 443.613 3.063 40 0 IGABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)n1 ZINC000019236231 556720775 /nfs/dbraw/zinc/72/07/75/556720775.db2.gz MLSMDERCUONELO-QGZVFWFLSA-N 1 0 449.580 3.113 40 0 IGABRO Cc1cccnc1C[N@@H+]1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 ZINC000019237796 556722785 /nfs/dbraw/zinc/72/27/85/556722785.db2.gz PXQMFZACBFQDAA-KRWDZBQOSA-N 1 0 449.580 3.113 40 0 IGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 ZINC000019238691 556724157 /nfs/dbraw/zinc/72/41/57/556724157.db2.gz ZVHPIGVNPCHYON-LJQANCHMSA-N 1 0 435.553 3.070 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc(OC)c1OC ZINC000019239096 556724451 /nfs/dbraw/zinc/72/44/51/556724451.db2.gz UJXJDPBKEFPMGN-MRXNPFEDSA-N 1 0 425.489 3.240 40 0 IGABRO NC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019348353 556743834 /nfs/dbraw/zinc/74/38/34/556743834.db2.gz NAJIVXFAESGXLP-SANMLTNESA-N 1 0 444.535 3.225 40 0 IGABRO O=C(c1ccncc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019404894 556754546 /nfs/dbraw/zinc/75/45/46/556754546.db2.gz FIUMVBZUNZKESM-QFIPXVFZSA-N 1 0 435.572 3.471 40 0 IGABRO O=C(Cc1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019406438 556755067 /nfs/dbraw/zinc/75/50/67/556755067.db2.gz BLKHOGLHSQQNKI-HXUWFJFHSA-N 1 0 426.586 3.428 40 0 IGABRO CC(C)NC(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019449988 556760663 /nfs/dbraw/zinc/76/06/63/556760663.db2.gz MOVIYLQWTRPCFZ-WOJBJXKFSA-N 1 0 427.980 3.470 40 0 IGABRO COc1cc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCC(N)=O ZINC000019460993 556767441 /nfs/dbraw/zinc/76/74/41/556767441.db2.gz VRMTYPMTLJKIBV-UHFFFAOYSA-N 1 0 440.588 3.266 40 0 IGABRO CCc1nn(C)c(C(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C ZINC000019521055 556777851 /nfs/dbraw/zinc/77/78/51/556777851.db2.gz QUJHMPGTQPDTFI-UHFFFAOYSA-N 1 0 438.551 3.225 40 0 IGABRO CCc1c(C)nc([C@H]2CCC[N@H+](Cc3ccc(OCC(=O)N4CCCC4)cc3)C2)[nH]c1=O ZINC000019521553 556778319 /nfs/dbraw/zinc/77/83/19/556778319.db2.gz LUVSXYQDGXNUMJ-FQEVSTJZSA-N 1 0 438.572 3.022 40 0 IGABRO CCn1nc2c(c1C(=O)N1CCC[C@@H]1c1nc3c(c(=O)[nH]1)CC[N@@H+](C(C)C)C3)CCCC2 ZINC000019524090 556781250 /nfs/dbraw/zinc/78/12/50/556781250.db2.gz KMPIYINPSJWKPV-HXUWFJFHSA-N 1 0 438.576 3.021 40 0 IGABRO COc1cc2c(cc1C[NH+]1CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC1)CCCC2 ZINC000019550553 556795335 /nfs/dbraw/zinc/79/53/35/556795335.db2.gz CMCNPMSVQVMMED-UHFFFAOYSA-N 1 0 438.572 3.149 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccncc4)[nH]c(=O)c3C2)cc1 ZINC000019555532 556798178 /nfs/dbraw/zinc/79/81/78/556798178.db2.gz YGTPUNJXFOOHSL-QFIPXVFZSA-N 1 0 445.523 3.121 40 0 IGABRO Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556783 556799314 /nfs/dbraw/zinc/79/93/14/556799314.db2.gz XGUFEUCPETYMAY-YCRPNKLZSA-N 1 0 440.592 3.070 40 0 IGABRO C[NH+](C)C[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019583326 556820772 /nfs/dbraw/zinc/82/07/72/556820772.db2.gz HZBZXHHXAPPYGB-QZTJIDSGSA-N 1 0 443.979 3.236 40 0 IGABRO Cc1ccc(Cc2cc(C)nc(C3CC[NH+](CC(=O)N4CCC(C(N)=O)CC4)CC3)c2)cc1 ZINC000019687055 556842032 /nfs/dbraw/zinc/84/20/32/556842032.db2.gz IFCRQDDZBSOMQR-UHFFFAOYSA-N 1 0 448.611 3.193 40 0 IGABRO CC(=O)N1CCc2nc(C3CC[NH+](C)CC3)nc(NCCCN(C)c3ccccc3)c2C1 ZINC000019710449 556873176 /nfs/dbraw/zinc/87/31/76/556873176.db2.gz MDMFMXKMFFLQRR-UHFFFAOYSA-N 1 0 436.604 3.129 40 0 IGABRO O=C(Nc1ccccc1C[NH+]1CCCC1)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019748087 556892737 /nfs/dbraw/zinc/89/27/37/556892737.db2.gz SYYMBMHKIUVGPT-GOSISDBHSA-N 1 0 431.533 3.071 40 0 IGABRO Cc1ccc(-c2ncc(C[NH+]3CCC(Cc4nn(C)cc4C(=O)N(C)C)CC3)cn2)cc1 ZINC000019756335 556899998 /nfs/dbraw/zinc/89/99/98/556899998.db2.gz RLBGMUSUKWPTGW-UHFFFAOYSA-N 1 0 432.572 3.342 40 0 IGABRO CCc1ncc(C[NH+]2CCC(Cc3ncncc3C(=O)NCc3ccccc3F)CC2)cn1 ZINC000019757168 556901388 /nfs/dbraw/zinc/90/13/88/556901388.db2.gz NIEFPODEEGMJMH-UHFFFAOYSA-N 1 0 448.546 3.353 40 0 IGABRO CCOc1ccc(C[NH+]2CCC3(C[C@]4(CO3)Nc3ccccc3C(=O)N4)CC2)cc1OC ZINC000072325416 556902624 /nfs/dbraw/zinc/90/26/24/556902624.db2.gz XNAYBCVQRRXCQL-VWLOTQADSA-N 1 0 437.540 3.401 40 0 IGABRO C[C@H](Cc1ccccc1F)[N@@H+]1C[C@@H](C(=O)NC(C)(C)C)[C@]2(C1)Cc1ccccc1C(=O)N2 ZINC000072334503 556907178 /nfs/dbraw/zinc/90/71/78/556907178.db2.gz KDOCXHMOBZQGDQ-FQHLQPMKSA-N 1 0 437.559 3.328 40 0 IGABRO COc1ccccc1NC(=O)c1ccc(C2CC[NH+](Cc3cn(C)nc3C)CC2)nc1N ZINC000019765956 556911045 /nfs/dbraw/zinc/91/10/45/556911045.db2.gz LBFCQUHXQXCBLL-UHFFFAOYSA-N 1 0 434.544 3.346 40 0 IGABRO COc1ccc(NC(=O)c2cn(C)nc2CC2CC[NH+](Cc3cn(C)nc3C)CC2)cc1 ZINC000072352150 556923027 /nfs/dbraw/zinc/92/30/27/556923027.db2.gz NTOUOLXZTXIMBU-UHFFFAOYSA-N 1 0 436.560 3.178 40 0 IGABRO CC[NH+](CC)CC(=O)N1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352168 556923371 /nfs/dbraw/zinc/92/33/71/556923371.db2.gz QXDSBGGMMPHYLH-KRWDZBQOSA-N 1 0 429.586 3.031 40 0 IGABRO CC[NH+](CC)CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352169 556923405 /nfs/dbraw/zinc/92/34/05/556923405.db2.gz QXDSBGGMMPHYLH-QGZVFWFLSA-N 1 0 429.586 3.031 40 0 IGABRO OC1CCN(c2cc(C3CC[NH+](Cc4ccccc4F)CC3)nc(-c3cnccn3)n2)CC1 ZINC000072352941 556925430 /nfs/dbraw/zinc/92/54/30/556925430.db2.gz BVTYAIYNSNYKFG-UHFFFAOYSA-N 1 0 448.546 3.413 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(Nc3ccccn3)cn2)ccc1OCC(N)=O ZINC000072353181 556925684 /nfs/dbraw/zinc/92/56/84/556925684.db2.gz LQGUASJFCWMEIE-FQEVSTJZSA-N 1 0 433.512 3.430 40 0 IGABRO C[N@H+](CCC(=O)N1CCC[C@H]1Cc1c2ccccc2sc1C(N)=O)Cc1ccccn1 ZINC000072370264 556934298 /nfs/dbraw/zinc/93/42/98/556934298.db2.gz OPKLNAVTKLHIEM-SFHVURJKSA-N 1 0 436.581 3.451 40 0 IGABRO O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000409058788 556935906 /nfs/dbraw/zinc/93/59/06/556935906.db2.gz LGDIEOOEKXLVBN-NAGXTHEASA-O 1 0 449.328 3.465 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000409060082 556937013 /nfs/dbraw/zinc/93/70/13/556937013.db2.gz SJTFRZMNOVTNAT-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO Cc1cccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)c1 ZINC000409060593 556937511 /nfs/dbraw/zinc/93/75/11/556937511.db2.gz VAUVGCYZWPQCJF-ZEQRLZLVSA-O 1 0 427.528 3.077 40 0 IGABRO Cc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409055228 556938497 /nfs/dbraw/zinc/93/84/97/556938497.db2.gz DKOSLIZVWRQKIE-BJKOFHAPSA-O 1 0 427.528 3.077 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000409072766 556946270 /nfs/dbraw/zinc/94/62/70/556946270.db2.gz SJLZKLMFTOEZQL-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccccc1[C@H](CNc1cc(-c2ccnc(N3CCOCC3)c2)nc(C)n1)[NH+](C)C ZINC000072373364 556946547 /nfs/dbraw/zinc/94/65/47/556946547.db2.gz WYPRYJLDEHJOQT-QFIPXVFZSA-N 1 0 448.571 3.407 40 0 IGABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)Cc1ccc(F)cc1 ZINC000072394954 556966166 /nfs/dbraw/zinc/96/61/66/556966166.db2.gz IUKRCBTYOYTCNN-GOTSBHOMSA-N 1 0 425.548 3.184 40 0 IGABRO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000020046330 556973268 /nfs/dbraw/zinc/97/32/68/556973268.db2.gz ONEXBLPMNLNDEP-PMACEKPBSA-N 1 0 449.661 3.021 40 0 IGABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CC[N@@H+](C3CCCC3)C4)C2)CC1 ZINC000257300607 557000689 /nfs/dbraw/zinc/00/06/89/557000689.db2.gz RVARIKQFKGPQMK-ZHALLVOQSA-N 1 0 428.577 3.004 40 0 IGABRO O=C(NCCc1cccs1)c1ccc2nnc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2c1 ZINC000096156187 557180938 /nfs/dbraw/zinc/18/09/38/557180938.db2.gz BBFQEKKYAHDENR-SFHVURJKSA-N 1 0 432.553 3.148 40 0 IGABRO CCOCC[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 ZINC000096263948 557191573 /nfs/dbraw/zinc/19/15/73/557191573.db2.gz LQXSBZCQORMCTH-SFTDATJTSA-N 1 0 430.570 3.139 40 0 IGABRO CN(CCCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000219730184 557265960 /nfs/dbraw/zinc/26/59/60/557265960.db2.gz CUDIBPMHSICTFT-UHFFFAOYSA-N 1 0 445.585 3.199 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000019499541 557499646 /nfs/dbraw/zinc/49/96/46/557499646.db2.gz WAZACYLMXZCYEB-NRFANRHFSA-N 1 0 437.592 3.003 40 0 IGABRO C[NH+]1CCN(c2ccc(NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)cc2)CC1 ZINC000224039607 557549814 /nfs/dbraw/zinc/54/98/14/557549814.db2.gz VUUDWTMDXIFCLF-NKFKGCMQSA-N 1 0 430.508 3.441 40 0 IGABRO Cc1cc(C(=O)NCCC[NH+]2CCCCC2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224196905 557574090 /nfs/dbraw/zinc/57/40/90/557574090.db2.gz QTWJPFQLCZGJLW-UHFFFAOYSA-N 1 0 429.586 3.426 40 0 IGABRO Cc1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224202987 557575000 /nfs/dbraw/zinc/57/50/00/557575000.db2.gz YSSDSCUCDQRBBL-UHFFFAOYSA-N 1 0 429.586 3.282 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2C)cc1 ZINC000224211493 557575892 /nfs/dbraw/zinc/57/58/92/557575892.db2.gz NGXMQOBSMYYBQO-UHFFFAOYSA-N 1 0 429.586 3.344 40 0 IGABRO Cc1ccc(CN(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000224538101 557618270 /nfs/dbraw/zinc/61/82/70/557618270.db2.gz UIJOYDNPUYOBHB-UHFFFAOYSA-N 1 0 443.613 3.059 40 0 IGABRO Cc1cccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000224627223 557632592 /nfs/dbraw/zinc/63/25/92/557632592.db2.gz LNKOLQKWENOGHH-UHFFFAOYSA-N 1 0 443.613 3.453 40 0 IGABRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000224690482 557640639 /nfs/dbraw/zinc/64/06/39/557640639.db2.gz UOAQCLLJPCLZGH-GOSISDBHSA-N 1 0 447.576 3.283 40 0 IGABRO CC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc21 ZINC000224698181 557641626 /nfs/dbraw/zinc/64/16/26/557641626.db2.gz LVFOBRGGBUKWCW-UHFFFAOYSA-N 1 0 427.570 3.060 40 0 IGABRO Cc1cccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)c1 ZINC000224843130 557657793 /nfs/dbraw/zinc/65/77/93/557657793.db2.gz LNFGYUSRXNQDNI-FQEVSTJZSA-N 1 0 443.613 3.452 40 0 IGABRO COc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1 ZINC000061992835 557829701 /nfs/dbraw/zinc/82/97/01/557829701.db2.gz HDQONPFINLODRO-MKZKIRMCSA-N 1 0 440.584 3.102 40 0 IGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000061997529 557829710 /nfs/dbraw/zinc/82/97/10/557829710.db2.gz DLPGSFRECXFFPX-KAJJKBQMSA-N 1 0 428.548 3.233 40 0 IGABRO Fc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019332662 568624459 /nfs/dbraw/zinc/62/44/59/568624459.db2.gz FGLIEGHLOOBBOE-FCHUYYIVSA-N 1 0 428.556 3.031 40 0 IGABRO O=C(C[N@@H+]1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21)Nc1ccc2c(c1)OCCO2 ZINC000257215251 568672099 /nfs/dbraw/zinc/67/20/99/568672099.db2.gz CPHOBPNOUPLREV-VSKRKVRLSA-N 1 0 449.551 3.141 40 0 IGABRO Cn1c2ccccc2n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)c1=O ZINC000257215832 568672196 /nfs/dbraw/zinc/67/21/96/568672196.db2.gz CRVUMQZEDYJSMO-BKIHGLLKSA-N 1 0 444.579 3.083 40 0 IGABRO CC(=O)N1CC[N@H+](Cc2ccnc(N3CCCC3)n2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257225018 568676402 /nfs/dbraw/zinc/67/64/02/568676402.db2.gz FEMMGPUMUMPRDX-OAQYLSRUSA-N 1 0 444.583 3.148 40 0 IGABRO COc1ccccc1S(=O)(=O)N1CCO[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000257254266 568690473 /nfs/dbraw/zinc/69/04/73/568690473.db2.gz KCKHDRIDGIXSOM-HXUWFJFHSA-N 1 0 440.525 3.299 40 0 IGABRO CNc1nc([C@@H]2CC[N@H+](Cc3c(C)cc(OC)c(C)c3C)C2)nc2c1CCN(C(C)=O)C2 ZINC000257275461 568699899 /nfs/dbraw/zinc/69/98/99/568699899.db2.gz NPMRVVJTLYFTAV-LJQANCHMSA-N 1 0 437.588 3.346 40 0 IGABRO C[NH+](C)CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N2CCCCC2)C1 ZINC000257280513 568702491 /nfs/dbraw/zinc/70/24/91/568702491.db2.gz OLEGCBSOTVWZNS-QHCPKHFHSA-N 1 0 435.996 3.292 40 0 IGABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@@H]2c2cncc(-n3ccnc3)n2)CC1 ZINC000257333753 568726067 /nfs/dbraw/zinc/72/60/67/568726067.db2.gz YCXOOINTFIJJSY-JOCHJYFZSA-N 1 0 448.546 3.420 40 0 IGABRO Cc1ccsc1C[N@@H+]1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O ZINC000306126490 568764169 /nfs/dbraw/zinc/76/41/69/568764169.db2.gz DXLMVBOELGXHOX-ZJSXRUAMSA-N 1 0 434.565 3.244 40 0 IGABRO COc1cccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128611 568765403 /nfs/dbraw/zinc/76/54/03/568765403.db2.gz HGDYZSZXUDCTPX-BDYUSTAISA-N 1 0 443.547 3.487 40 0 IGABRO CCc1ccc(C[NH+]2CCC3(CC2)COCc2nnc(C(=O)N[C@@H](C)CC)n2C3)cc1 ZINC000306134319 568768407 /nfs/dbraw/zinc/76/84/07/568768407.db2.gz NIWDDFHDAMGQAP-SFHVURJKSA-N 1 0 425.577 3.181 40 0 IGABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000306134542 568768465 /nfs/dbraw/zinc/76/84/65/568768465.db2.gz NQZDYBYWKBYNJC-UHFFFAOYSA-N 1 0 436.491 3.053 40 0 IGABRO CC[C@@H](C)NC(=O)c1nnc2n1CC1(CC[NH+](Cc3cccc(Cl)c3)CC1)COC2 ZINC000306136488 568769396 /nfs/dbraw/zinc/76/93/96/568769396.db2.gz PUUARUOBVIOXFU-MRXNPFEDSA-N 1 0 431.968 3.272 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccccn3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306136778 568769738 /nfs/dbraw/zinc/76/97/38/568769738.db2.gz QCWKVVJTHYKBJW-RDGATRHJSA-N 1 0 430.556 3.272 40 0 IGABRO COc1cccc(C[NH+]2CCC3(CCc4nnc(C(=O)NCCC(C)C)n4C3)CC2)c1 ZINC000306139528 568771178 /nfs/dbraw/zinc/77/11/78/568771178.db2.gz SZNGFJQFNDQHBX-UHFFFAOYSA-N 1 0 425.577 3.291 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)cc2F)cc(-c2cccnc2)n1 ZINC000328981815 568808380 /nfs/dbraw/zinc/80/83/80/568808380.db2.gz GWTFOYFMVSQADT-UHFFFAOYSA-N 1 0 445.340 3.391 40 0 IGABRO COc1ccc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000328994409 568808824 /nfs/dbraw/zinc/80/88/24/568808824.db2.gz JDCVOIKBYWOJKG-UHFFFAOYSA-N 1 0 432.450 3.127 40 0 IGABRO COCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063636 569219904 /nfs/dbraw/zinc/21/99/04/569219904.db2.gz BBGMSDSZVUVEJO-UHFFFAOYSA-N 1 0 427.520 3.443 40 0 IGABRO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000010279280 569222020 /nfs/dbraw/zinc/22/20/20/569222020.db2.gz MNMBMLGRMPTKME-AWEZNQCLSA-N 1 0 436.405 3.140 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccc(F)cc2)cc1 ZINC000010277693 569222062 /nfs/dbraw/zinc/22/20/62/569222062.db2.gz CCWILAIURXSTLN-UHFFFAOYSA-N 1 0 447.576 3.322 40 0 IGABRO O=C([C@@H]1CC=CCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343605 569226362 /nfs/dbraw/zinc/22/63/62/569226362.db2.gz DQOYQWZNYMWPOF-QZTJIDSGSA-N 1 0 438.597 3.452 40 0 IGABRO NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)C2C[NH+](Cc3ccccc3)C2)CCO1 ZINC000019697779 569230066 /nfs/dbraw/zinc/23/00/66/569230066.db2.gz XZXJXOUSMNZZKT-IBGZPJMESA-N 1 0 435.549 3.032 40 0 IGABRO CC(C)(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699873 569230912 /nfs/dbraw/zinc/23/09/12/569230912.db2.gz ZUVFQAUUTFOKII-FQEVSTJZSA-N 1 0 440.588 3.000 40 0 IGABRO COc1cc(C)ccc1C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702555 569232198 /nfs/dbraw/zinc/23/21/98/569232198.db2.gz LUEDFQLKKCYFEQ-KRWDZBQOSA-N 1 0 425.554 3.325 40 0 IGABRO CCn1nc(C)c(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(=O)NCCOC)C2)c1C ZINC000019702622 569232210 /nfs/dbraw/zinc/23/22/10/569232210.db2.gz FEIHPTKDYIEEPE-KRWDZBQOSA-N 1 0 441.601 3.495 40 0 IGABRO COc1cc(C)ccc1C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702553 569232266 /nfs/dbraw/zinc/23/22/66/569232266.db2.gz LUEDFQLKKCYFEQ-QGZVFWFLSA-N 1 0 425.554 3.325 40 0 IGABRO O=C(NCc1cnn(-c2ccccc2)c1[C@@H]1CC[N@@H+](C2CCOCC2)C1)c1cccnc1 ZINC000019708001 569234524 /nfs/dbraw/zinc/23/45/24/569234524.db2.gz LIIHQPXPZSDHIT-HXUWFJFHSA-N 1 0 431.540 3.166 40 0 IGABRO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3[N@@H+]2Cc2ccnc(N3CCCC3)n2)cc1 ZINC000019713944 569235763 /nfs/dbraw/zinc/23/57/63/569235763.db2.gz GMOTWWFCQSYTFF-YFNKSVMNSA-N 1 0 449.599 3.330 40 0 IGABRO Cc1nc([C@H]2CCC[N@H+](Cc3cccc(Oc4ncccn4)c3)C2)ncc1C(=O)N(C)C ZINC000019763634 569238095 /nfs/dbraw/zinc/23/80/95/569238095.db2.gz RNEVIJUNTUHFTK-IBGZPJMESA-N 1 0 432.528 3.449 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3OC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000020058537 569240220 /nfs/dbraw/zinc/24/02/20/569240220.db2.gz AOHJAFNYOWCRJZ-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO [NH3+][C@@H](Cc1ccc(F)cc1)C(=O)NCC1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072379940 569250149 /nfs/dbraw/zinc/25/01/49/569250149.db2.gz QRKHCLUXEGXIEH-NGICGMGXSA-N 1 0 449.534 3.109 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(F)cc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000252516882 569288286 /nfs/dbraw/zinc/28/82/86/569288286.db2.gz XNGNUZWPYJRASA-JQVVWYNYSA-N 1 0 434.533 3.296 40 0 IGABRO CNc1nc(C2CCN(C(=O)[C@H](C)Cc3cccc(Cl)c3)CC2)nc2c1CC[NH2+]C2 ZINC000019710915 569327579 /nfs/dbraw/zinc/32/75/79/569327579.db2.gz RFDPINKNULDLEI-OAHLLOKOSA-N 1 0 427.980 3.402 40 0 IGABRO O=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000019750649 569328339 /nfs/dbraw/zinc/32/83/39/569328339.db2.gz MNUWQZZZZZKYQA-UHFFFAOYSA-N 1 0 448.498 3.474 40 0 IGABRO Cc1oc(-c2cccs2)nc1C[S@@](=O)CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000102020901 569588209 /nfs/dbraw/zinc/58/82/09/569588209.db2.gz QGYSEQCMSZKWQJ-DUOAEJKSSA-N 1 0 437.631 3.444 40 0 IGABRO CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)N(CC)C(=O)NCCC[NH+](C)C ZINC000008296002 291355783 /nfs/dbraw/zinc/35/57/83/291355783.db2.gz QMXQJUKUUOZPOK-ICSRJNTNSA-N 1 0 448.583 3.214 40 0 biogenic,in-vitro IGABRO CC[NH+](CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=S)NC[C@@H]1CCCO1 ZINC000006193280 193889842 /nfs/dbraw/zinc/88/98/42/193889842.db2.gz DBOBAUOLCBBOAK-FQEVSTJZSA-N 1 0 444.645 3.342 40 0 IGABRO Cc1ccc(-n2nccc2-c2nc(C(=O)NCC[NH+]3CCCCC3)c3cnccn32)cc1 ZINC000306123071 525934523 /nfs/dbraw/zinc/93/45/23/525934523.db2.gz ADWASSVGKZZJBT-UHFFFAOYSA-N 1 0 429.528 3.106 40 0 IGABRO Cc1cc(-c2cnc(N3CCCC3)nc2C2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)on1 ZINC000012232378 526046013 /nfs/dbraw/zinc/04/60/13/526046013.db2.gz YNALZWQXWHPSSA-UHFFFAOYSA-N 1 0 448.575 3.276 40 0 IGABRO Nc1nc(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)ccc1C(=O)N1CCOCC1 ZINC000019765957 527548245 /nfs/dbraw/zinc/54/82/45/527548245.db2.gz RLFXUQZPKVVTLW-UHFFFAOYSA-N 1 0 431.540 3.064 40 0 IGABRO Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCCNC(=O)OCc3ccccc3)ccc12 ZINC000002560756 555787656 /nfs/dbraw/zinc/78/76/56/555787656.db2.gz ZSNXCTDQMRXAIQ-FQEVSTJZSA-N 1 0 437.496 3.464 40 0 IGABRO COc1ccc(/C=C/C(=O)OCC[NH2+]CCOC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000005639890 556061364 /nfs/dbraw/zinc/06/13/64/556061364.db2.gz IMCXEISUSBYHNH-FNCQTZNRSA-N 1 0 425.481 3.106 40 0 IGABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000009992240 556320237 /nfs/dbraw/zinc/32/02/37/556320237.db2.gz VEFHKRVZQYOJCT-UHFFFAOYSA-N 1 0 447.626 3.061 40 0 IGABRO Cc1ccc(N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010450032 556335165 /nfs/dbraw/zinc/33/51/65/556335165.db2.gz NGKICQANRWJTBI-UHFFFAOYSA-N 1 0 429.586 3.101 40 0 IGABRO O=C(NCc1cccc(CN2CCOCC2)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000038831419 556622069 /nfs/dbraw/zinc/62/20/69/556622069.db2.gz PUJHMQPLWRFYLS-UHFFFAOYSA-N 1 0 425.548 3.186 40 0 IGABRO Cc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](CC2CCCCC2)CC3)on1 ZINC000019119910 556700809 /nfs/dbraw/zinc/70/08/09/556700809.db2.gz TVEUTDQWWDQFIG-FQEVSTJZSA-N 1 0 439.560 3.372 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1F ZINC000257211428 556702155 /nfs/dbraw/zinc/70/21/55/556702155.db2.gz BYURWAQIXGHPOA-SONWIMMPSA-N 1 0 426.532 3.129 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1ccccc1F ZINC000257211429 556702264 /nfs/dbraw/zinc/70/22/64/556702264.db2.gz 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429.488 3.371 40 0 IGABRO O=C(c1ccccc1F)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](C[C@H]4CC=CCC4)C3)nc2C1 ZINC000019347687 556743483 /nfs/dbraw/zinc/74/34/83/556743483.db2.gz DSJRLLXGMSUEIF-ZWKOTPCHSA-N 1 0 436.531 3.253 40 0 IGABRO OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)n1 ZINC000019404132 556754302 /nfs/dbraw/zinc/75/43/02/556754302.db2.gz HCZTWEIENMXBHP-SFTDATJTSA-N 1 0 436.604 3.468 40 0 IGABRO COc1ccccc1CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C(C)C)C2 ZINC000019448339 556757445 /nfs/dbraw/zinc/75/74/45/556757445.db2.gz LHTDQQIMKLETMQ-NRFANRHFSA-N 1 0 438.572 3.231 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)c4ccccn4)[nH]c(=O)c3C2)cc1 ZINC000019555526 556798382 /nfs/dbraw/zinc/79/83/82/556798382.db2.gz OVDWYUKOZLZBOF-QFIPXVFZSA-N 1 0 445.523 3.121 40 0 IGABRO COc1ccc(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)cc1Cn1ccnc1 ZINC000019559496 556801213 /nfs/dbraw/zinc/80/12/13/556801213.db2.gz PUGFKSDGRRFQCW-BKMJKUGQSA-N 1 0 445.567 3.363 40 0 IGABRO 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CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 ZINC000409065322 556941311 /nfs/dbraw/zinc/94/13/11/556941311.db2.gz FZKMGINMZMXEPI-CLCXKLDUSA-O 1 0 444.511 3.110 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccccc2)cc1OC ZINC000409061271 556943287 /nfs/dbraw/zinc/94/32/87/556943287.db2.gz CJCJEPPZVCKJNM-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373054 556945402 /nfs/dbraw/zinc/94/54/02/556945402.db2.gz BHBSLIMPKSRXNY-VXKWHMMOSA-N 1 0 434.584 3.165 40 0 IGABRO COc1ccccc1CCN1CCCc2c(C)nc([C@H]3CCCN3C(=O)C[NH+](C)C)nc21 ZINC000072373763 556946596 /nfs/dbraw/zinc/94/65/96/556946596.db2.gz PRONARAISMDZSI-OAQYLSRUSA-N 1 0 437.588 3.014 40 0 IGABRO CNc1nc([C@H]2CCCCN2CC(=O)N(Cc2ccccc2)C(C)C)nc2c1CC[NH2+]C2 ZINC000072376578 556955057 /nfs/dbraw/zinc/95/50/57/556955057.db2.gz DJKXBSQSVGMBSU-JOCHJYFZSA-N 1 0 436.604 3.128 40 0 IGABRO 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COc1ccc(NC(=O)[C@@H]2Cn3ccnc3C3(CC[NH+](Cc4ccccc4)CC3)O2)cc1 ZINC000096263248 557190924 /nfs/dbraw/zinc/19/09/24/557190924.db2.gz QQUKXXFCLGLGNO-QFIPXVFZSA-N 1 0 432.524 3.421 40 0 IGABRO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](CCOc1ccc(F)cc1)CC2 ZINC000585261351 557194656 /nfs/dbraw/zinc/19/46/56/557194656.db2.gz UUEROFXKDCNVBY-UBFVSLLYSA-N 1 0 439.531 3.005 40 0 IGABRO Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CCCC[N@@H+]4CCO)CC3)n2)s1 ZINC000585262680 557202962 /nfs/dbraw/zinc/20/29/62/557202962.db2.gz SFOFXDFXCWCXMU-LJQANCHMSA-N 1 0 429.590 3.143 40 0 IGABRO CC(C)([NH3+])C(=O)N1CCC[C@H](c2cncc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585262894 557203393 /nfs/dbraw/zinc/20/33/93/557203393.db2.gz OGHAHFCCWRBMJT-ZDUSSCGKSA-N 1 0 432.450 3.253 40 0 IGABRO CC(C)c1ccc(O[C@H]2C[N@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc1 ZINC000585267869 557207190 /nfs/dbraw/zinc/20/71/90/557207190.db2.gz KUYODQJOWWXLCE-DQEYMECFSA-N 1 0 438.568 3.435 40 0 IGABRO CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000010450180 557221956 /nfs/dbraw/zinc/22/19/56/557221956.db2.gz JUHDZIUFUMUGDD-UHFFFAOYSA-N 1 0 433.549 3.008 40 0 IGABRO Cc1cc(OC[C@@]2(O)C[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)ccc1F ZINC000585284976 557224617 /nfs/dbraw/zinc/22/46/17/557224617.db2.gz BEJDAZOLIKQNSV-MRLUPLGUSA-N 1 0 443.559 3.400 40 0 IGABRO [NH3+][C@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cnccn3)n2)CC1 ZINC000100708851 557270817 /nfs/dbraw/zinc/27/08/17/557270817.db2.gz HAIBOOZQCUSMIY-WSTZPKSXSA-N 1 0 449.534 3.109 40 0 IGABRO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033726325 557353877 /nfs/dbraw/zinc/35/38/77/557353877.db2.gz ZNIAEOAOTYSHDY-ZVVFGRKBSA-N 1 0 435.911 3.388 40 0 IGABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccncc1 ZINC000223256713 557451651 /nfs/dbraw/zinc/45/16/51/557451651.db2.gz MPUCZENGZXJUND-DHIUTWEWSA-N 1 0 434.613 3.477 40 0 IGABRO CCOc1ncc([C@]2(O)CC[C@@H]3C[N@H+](Cc4cc(C)ccc4OC)C[C@@H]32)c(OCC)n1 ZINC000019531677 557500391 /nfs/dbraw/zinc/50/03/91/557500391.db2.gz SXPYBZZQDYHDFU-VWQFJMCTSA-N 1 0 427.545 3.321 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019527935 557501770 /nfs/dbraw/zinc/50/17/70/557501770.db2.gz KZMAXOWOQRYWOW-JOCHJYFZSA-N 1 0 435.576 3.055 40 0 IGABRO O=C1[C@H]2CCCC[C@@H]2C(=O)N1CCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000100029668 557535939 /nfs/dbraw/zinc/53/59/39/557535939.db2.gz FBVFZWUMDDXLLG-ROUUACIJSA-N 1 0 426.586 3.374 40 0 in-vitro IGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)C1 ZINC000224256959 557581754 /nfs/dbraw/zinc/58/17/54/557581754.db2.gz GQCMPHYTDAPQLZ-LJQANCHMSA-N 1 0 429.586 3.364 40 0 IGABRO Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224319896 557590847 /nfs/dbraw/zinc/59/08/47/557590847.db2.gz CWRFWMOQNZSLPE-UHFFFAOYSA-N 1 0 435.977 3.298 40 0 IGABRO CC1CC[NH+](CCCNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000224413590 557603730 /nfs/dbraw/zinc/60/37/30/557603730.db2.gz SAMXTRQBMSFBPJ-UHFFFAOYSA-N 1 0 443.613 3.359 40 0 IGABRO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224509755 557614672 /nfs/dbraw/zinc/61/46/72/557614672.db2.gz PXHUMSPHHWLAEM-QHCPKHFHSA-N 1 0 443.613 3.452 40 0 IGABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000224622278 557632034 /nfs/dbraw/zinc/63/20/34/557632034.db2.gz KNLDJIYEMIAFQR-HXUWFJFHSA-N 1 0 447.626 3.061 40 0 IGABRO O=C1CCCN1c1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224678954 557640092 /nfs/dbraw/zinc/64/00/92/557640092.db2.gz NGGXFTSBGXVCBY-UHFFFAOYSA-N 1 0 427.570 3.278 40 0 IGABRO Cc1ccc(CN(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)cc1 ZINC000224701151 557641930 /nfs/dbraw/zinc/64/19/30/557641930.db2.gz ZQMGQRJGLHUVCL-UHFFFAOYSA-N 1 0 443.613 3.059 40 0 IGABRO Cc1ccc(CN(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)S(C)(=O)=O)cc1 ZINC000224852350 557658989 /nfs/dbraw/zinc/65/89/89/557658989.db2.gz VQHYJGURCUQMMT-UHFFFAOYSA-N 1 0 443.613 3.059 40 0 IGABRO CCn1cc(S(=O)(=O)N2CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C2)c(C)n1 ZINC000257210154 568669684 /nfs/dbraw/zinc/66/96/84/568669684.db2.gz BTKUVZFSHKBYRE-INIZCTEOSA-N 1 0 444.536 3.371 40 0 IGABRO Cc1cc(C)n(CCC(=O)N2CCC(c3cc(Nc4ccccn4)cc(C)[nH+]3)CC2)c(=O)n1 ZINC000257257699 568692052 /nfs/dbraw/zinc/69/20/52/568692052.db2.gz KQTQWWDHXZHUQI-UHFFFAOYSA-N 1 0 446.555 3.498 40 0 IGABRO O=C(N1CC[NH2+]C[C@H](COCc2ccccc2)C1)C1(c2cccc(F)c2)CCOCC1 ZINC000257266326 568695745 /nfs/dbraw/zinc/69/57/45/568695745.db2.gz MCNWXUJQTKPHBE-NRFANRHFSA-N 1 0 426.532 3.139 40 0 IGABRO Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@@H+]1CCC[C@](C(N)=O)(c2ccccn2)C1 ZINC000257275625 568700414 /nfs/dbraw/zinc/70/04/14/568700414.db2.gz NQEAYWXMHLEJOX-AREMUKBSSA-N 1 0 432.568 3.438 40 0 IGABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(S(=O)(=O)N3CCOCC3)C2)[nH+]1 ZINC000257342499 568729673 /nfs/dbraw/zinc/72/96/73/568729673.db2.gz ZOYQXAQQKFOMRU-QGZVFWFLSA-N 1 0 434.537 3.029 40 0 IGABRO Cn1[n-]c2c(c1=O)C[N@H+](Cc1ccc3c(c1)OCO3)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306130417 568766237 /nfs/dbraw/zinc/76/62/37/568766237.db2.gz JFVOJYGTFCWJOV-UHFFFAOYSA-N 1 0 446.551 3.404 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306130908 568766455 /nfs/dbraw/zinc/76/64/55/568766455.db2.gz JSIILKSMTNUHQN-CJFMBICVSA-N 1 0 436.556 3.421 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccncc3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306132451 568767190 /nfs/dbraw/zinc/76/71/90/568767190.db2.gz LJDABMSMVDASKM-WIOPSUGQSA-N 1 0 430.556 3.272 40 0 IGABRO Cc1cc(C)cc(C[N@H+]2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)c1 ZINC000306132667 568767364 /nfs/dbraw/zinc/76/73/64/568767364.db2.gz LOUOOSJMGKFYGZ-RUZDIDTESA-N 1 0 436.604 3.048 40 0 IGABRO Cc1ccc(CNC(=O)c2cn3c(nc2=O)[C@@]2(CC3)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000306135599 568768954 /nfs/dbraw/zinc/76/89/54/568768954.db2.gz OVMAHKXUAHNZMP-AREMUKBSSA-N 1 0 428.536 3.029 40 0 IGABRO Cc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)s1 ZINC000306140183 568771570 /nfs/dbraw/zinc/77/15/70/568771570.db2.gz UMJWDPZYGZCGQF-ISKFKSNPSA-N 1 0 434.565 3.244 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329028645 568809732 /nfs/dbraw/zinc/80/97/32/568809732.db2.gz PWJIBZDVUJIZQX-UHFFFAOYSA-N 1 0 446.477 3.257 40 0 IGABRO COc1ccc(COC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1OC ZINC000026781581 568862777 /nfs/dbraw/zinc/86/27/77/568862777.db2.gz JGWVPQSUPOJQMA-HXUWFJFHSA-N 1 0 434.964 3.365 40 0 IGABRO Fc1cc(I)ccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228932345 569182342 /nfs/dbraw/zinc/18/23/42/569182342.db2.gz DZYAWDIYNAGSCT-UHFFFAOYSA-N 1 0 438.248 3.238 40 0 IGABRO CC[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000248122109 569207201 /nfs/dbraw/zinc/20/72/01/569207201.db2.gz NMUPNGJJXVESJB-PMOQBDJRSA-N 1 0 437.584 3.111 40 0 IGABRO COCCOc1cccc(C[N@@H+]2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 ZINC000019695055 569229479 /nfs/dbraw/zinc/22/94/79/569229479.db2.gz ITNNJEJRTQXVEW-IBGZPJMESA-N 1 0 434.544 3.014 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cc1c(C)noc1C ZINC000019763436 569238098 /nfs/dbraw/zinc/23/80/98/569238098.db2.gz UXOQGPHXRYSVLE-IBGZPJMESA-N 1 0 449.555 3.468 40 0 IGABRO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(OC(C)C)c(Cn4cccn4)c3)C2)ncc1C(N)=O ZINC000019763723 569238111 /nfs/dbraw/zinc/23/81/11/569238111.db2.gz ADQNXHHGHMBQDG-FQEVSTJZSA-N 1 0 448.571 3.296 40 0 IGABRO C[NH+]1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Br)cc2)CC1 ZINC000034702251 569247380 /nfs/dbraw/zinc/24/73/80/569247380.db2.gz JEZUQKBTXBRJAL-UHFFFAOYSA-N 1 0 433.375 3.328 40 0 IGABRO Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009109246 569293830 /nfs/dbraw/zinc/29/38/30/569293830.db2.gz OITGREQAXLVEJB-ZQAYVECASA-N 1 0 439.874 3.219 40 0 IGABRO O=C(Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000019750696 569328391 /nfs/dbraw/zinc/32/83/91/569328391.db2.gz AGHTVLBWDGTCRM-UHFFFAOYSA-N 1 0 448.498 3.474 40 0 IGABRO COc1ccc(-c2cc([C@H]3C[N@@H+]4CC[C@H]3C[C@@H]4CNC(=O)C(C)(C)C)n(C)n2)cc1OC ZINC000008635499 291357719 /nfs/dbraw/zinc/35/77/19/291357719.db2.gz FFSCWMCXOMDFOS-UHOSZYNNSA-N 1 0 440.588 3.444 40 0 biogenic,in-vitro IGABRO Cc1cc(CNC(=O)[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3)CN(C)C(=O)C2)no1 ZINC000096113483 291360092 /nfs/dbraw/zinc/36/00/92/291360092.db2.gz BEMARWLTVWZRPP-IEBWSBKVSA-N 1 0 432.952 3.060 40 0 biogenic,in-vitro IGABRO CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCCC[NH+](C)C)cc2c1 ZINC000006135125 193880749 /nfs/dbraw/zinc/88/07/49/193880749.db2.gz RWAGSQXJMVPATE-UHFFFAOYSA-N 1 0 437.613 3.314 40 0 IGABRO CCCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006149751 193885411 /nfs/dbraw/zinc/88/54/11/193885411.db2.gz PKVKGLLTPPWOKM-UHFFFAOYSA-N 1 0 446.617 3.118 40 0 IGABRO CC(C)[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)c2ccccc2)CC3)CC1 ZINC000072345801 519673180 /nfs/dbraw/zinc/67/31/80/519673180.db2.gz SESBLPBDPWORMC-HSZRJFAPSA-N 1 0 441.597 3.255 40 0 IGABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cnc4ccccc4n2)C3)c(OCC)n1 ZINC000012181092 521610476 /nfs/dbraw/zinc/61/04/76/521610476.db2.gz IPFSKLIIMBCXSN-OXUKXLDXSA-N 1 0 449.555 3.337 40 0 IGABRO CO[C@@H]1CCc2nc(C)c(CC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)c(=O)n2C1 ZINC000022059373 523726728 /nfs/dbraw/zinc/72/67/28/523726728.db2.gz DJOZJQFKYPYSCC-GOSISDBHSA-N 1 0 440.519 3.215 40 0 in-vitro IGABRO COc1ccc(C[NH+]2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)c(OC)c1 ZINC000012188586 524024443 /nfs/dbraw/zinc/02/44/43/524024443.db2.gz OHUFQNGIPQWOFA-UHFFFAOYSA-N 1 0 443.569 3.119 40 0 IGABRO O[C@@H](COCCOC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000041689928 527658060 /nfs/dbraw/zinc/65/80/60/527658060.db2.gz CCRQVWQNKNZSMT-SYQRAZLKSA-N 1 0 428.617 3.167 40 0 IGABRO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000408700381 556102347 /nfs/dbraw/zinc/10/23/47/556102347.db2.gz FDIQOXDYUYVJNN-UHFFFAOYSA-N 1 0 447.626 3.449 40 0 IGABRO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2c[nH]nc2C(C)(C)C)C3)c(OCC)n1 ZINC000012087530 556400578 /nfs/dbraw/zinc/40/05/78/556400578.db2.gz NERHEQXZTUYQRB-QLCVBSLISA-N 1 0 443.592 3.414 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000013670616 556551554 /nfs/dbraw/zinc/55/15/54/556551554.db2.gz CTEIEZMSZMNGGN-UHFFFAOYSA-N 1 0 436.405 3.142 40 0 IGABRO CC(C)CC(=O)Nc1ccc2c(c1)nc(C[N@H+]1C[C@H]3C[C@H](Cn4c(=O)cccc43)C1)n2C ZINC000138159069 556700255 /nfs/dbraw/zinc/70/02/55/556700255.db2.gz XTCLAJYYAXZBJU-ZWKOTPCHSA-N 1 0 433.556 3.339 40 0 IGABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCc2cccc3c2OCO3)CC1 ZINC000257216904 556703139 /nfs/dbraw/zinc/70/31/39/556703139.db2.gz CWPKJSGNIJRJDX-VWLOTQADSA-N 1 0 440.540 3.290 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)NC1CCCCC1 ZINC000257340919 556707055 /nfs/dbraw/zinc/70/70/55/556707055.db2.gz ZICNITHNKBYUDI-VDKIKQQVSA-N 1 0 429.605 3.192 40 0 IGABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](CC(=O)NCCOc2ccccc2)CC1 ZINC000257237890 556710016 /nfs/dbraw/zinc/71/00/16/556710016.db2.gz HIRVHPXNSBQTAO-VWLOTQADSA-N 1 0 426.557 3.440 40 0 IGABRO Cc1cc(C)n(CCOc2ccc(C[N@@H+](C)C[C@@]3(O)CCN(c4ccccn4)C3)cc2)n1 ZINC000257265134 556712939 /nfs/dbraw/zinc/71/29/39/556712939.db2.gz LXKWMQQHMIVOTK-VWLOTQADSA-N 1 0 435.572 3.047 40 0 IGABRO COc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1NC(C)=O ZINC000019219215 556713708 /nfs/dbraw/zinc/71/37/08/556713708.db2.gz WYPAEGFSYRESBY-FGZHOGPDSA-N 1 0 440.540 3.346 40 0 IGABRO Cc1ccnn1CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019238462 556723375 /nfs/dbraw/zinc/72/33/75/556723375.db2.gz VXPUBISGZKLJSS-NRFANRHFSA-N 1 0 438.576 3.132 40 0 IGABRO COc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000000880685 556732519 /nfs/dbraw/zinc/73/25/19/556732519.db2.gz SOTCDXVSRCOEDD-UHFFFAOYSA-N 1 0 440.569 3.306 40 0 IGABRO NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019331716 556737145 /nfs/dbraw/zinc/73/71/45/556737145.db2.gz VTACGMFOGVHBSF-SANMLTNESA-N 1 0 429.520 3.440 40 0 IGABRO O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)C1 ZINC000019333175 556737907 /nfs/dbraw/zinc/73/79/07/556737907.db2.gz ZCANZVRZDWUAHD-GOSISDBHSA-N 1 0 438.547 3.158 40 0 IGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000019345579 556742640 /nfs/dbraw/zinc/74/26/40/556742640.db2.gz OBRJYOPZUJSJTN-RTBURBONSA-N 1 0 431.916 3.495 40 0 IGABRO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc4ccccc4n3)[nH]c(=O)c2C1 ZINC000019448175 556757626 /nfs/dbraw/zinc/75/76/26/556757626.db2.gz PYLWOZKPSNORJD-QFIPXVFZSA-N 1 0 431.540 3.452 40 0 IGABRO CC(C)NC(=O)[C@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]1c1ccnc(N2CCCCC2)n1 ZINC000019450119 556761021 /nfs/dbraw/zinc/76/10/21/556761021.db2.gz RKBDOMHCEJVPHH-SFTDATJTSA-N 1 0 425.552 3.346 40 0 IGABRO CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN(C(=O)C5CCOCC5)C4)[nH]c(=O)c3C2)CC1 ZINC000019495961 556768780 /nfs/dbraw/zinc/76/87/80/556768780.db2.gz BSOLTARGPIHPIK-SKINQDTJSA-N 1 0 442.604 3.252 40 0 IGABRO CCC(=O)Nc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(OC)ccc2O3)cc1 ZINC000019499328 556771145 /nfs/dbraw/zinc/77/11/45/556771145.db2.gz PCTXDFPXCDUXCF-FGZHOGPDSA-N 1 0 440.540 3.428 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCN(C(=O)C5CCCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555555 556798571 /nfs/dbraw/zinc/79/85/71/556798571.db2.gz PWAPWOHWSHSCBY-LJQANCHMSA-N 1 0 436.556 3.255 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1OC ZINC000019567718 556807821 /nfs/dbraw/zinc/80/78/21/556807821.db2.gz WNMNFGULAHLWAD-SANMLTNESA-N 1 0 446.551 3.471 40 0 IGABRO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@]2(C)CC[C@H]1C2 ZINC000022914588 556808557 /nfs/dbraw/zinc/80/85/57/556808557.db2.gz OQBXJQCEXOYVTF-WXAIXHMISA-N 1 0 430.589 3.125 40 0 IGABRO CS(=O)(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(OCc4ccccc4)CC3)ccc21 ZINC000019572471 556812821 /nfs/dbraw/zinc/81/28/21/556812821.db2.gz QKLDQMSLBBWYBB-XMMPIXPASA-N 1 0 444.597 3.113 40 0 IGABRO COc1c(C[N@@H+]2CC[C@](Cc3ccc(-c4cccnc4)cc3)(C(=O)N(C)C)C2)c(C)nn1C ZINC000019577936 556815569 /nfs/dbraw/zinc/81/55/69/556815569.db2.gz FHEOIFBQAOCFRZ-AREMUKBSSA-N 1 0 447.583 3.322 40 0 IGABRO Cc1nn(C)cc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019583536 556820954 /nfs/dbraw/zinc/82/09/54/556820954.db2.gz VLSPEKIFYQMPLK-NRFANRHFSA-N 1 0 438.576 3.282 40 0 IGABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)nc2c1CCCN2Cc1ccccn1 ZINC000019706119 556864191 /nfs/dbraw/zinc/86/41/91/556864191.db2.gz PSUIVOJJYVTUMM-JOCHJYFZSA-N 1 0 434.588 3.282 40 0 IGABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CCOc2ccc(Cl)cc2)n1 ZINC000019710030 556871866 /nfs/dbraw/zinc/87/18/66/556871866.db2.gz LTWFHEOJJJYHFM-INIZCTEOSA-N 1 0 431.968 3.091 40 0 IGABRO CNc1nc([C@@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710483 556873502 /nfs/dbraw/zinc/87/35/02/556873502.db2.gz FEXKMFJAOZKFJX-GOSISDBHSA-N 1 0 432.572 3.294 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 ZINC000019741841 556885048 /nfs/dbraw/zinc/88/50/48/556885048.db2.gz NTOMZRYUVCEFQT-JOCHJYFZSA-N 1 0 449.599 3.312 40 0 IGABRO COc1ccccc1CNc1n[nH]c2nc([C@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)ccc12 ZINC000019742883 556886817 /nfs/dbraw/zinc/88/68/17/556886817.db2.gz FTQGWAOUGWSCAL-IBGZPJMESA-N 1 0 448.571 3.380 40 0 IGABRO O=C(Cn1cc(C(=O)Nc2ccccc2C[NH+]2CCCC2)ccc1=O)NC1CCCCC1 ZINC000019751206 556895324 /nfs/dbraw/zinc/89/53/24/556895324.db2.gz NXEUNYKWAYRHAE-UHFFFAOYSA-N 1 0 436.556 3.145 40 0 IGABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000072330587 556906457 /nfs/dbraw/zinc/90/64/57/556906457.db2.gz JHHADXBOPIGYET-ZHRMCQFGSA-N 1 0 437.540 3.367 40 0 IGABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C1)OCO2 ZINC000072330586 556906485 /nfs/dbraw/zinc/90/64/85/556906485.db2.gz JHHADXBOPIGYET-XZOYJPPVSA-N 1 0 437.540 3.367 40 0 IGABRO Cc1nc(C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019765859 556910729 /nfs/dbraw/zinc/91/07/29/556910729.db2.gz LFFYEPLBXQZOLS-UHFFFAOYSA-N 1 0 439.535 3.224 40 0 IGABRO CCCOc1ccc([C@H]2[NH+]=C(N3CCc4ccccc4C3)NC(O)=C2C(=O)OCC)cc1 ZINC000019817745 556920610 /nfs/dbraw/zinc/92/06/10/556920610.db2.gz SWQPSSZBTXBSRR-FGZHOGPDSA-N 1 0 435.524 3.240 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409055969 556933624 /nfs/dbraw/zinc/93/36/24/556933624.db2.gz BVUKEIZACHMSEH-WAUWHALJSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409055950 556933632 /nfs/dbraw/zinc/93/36/32/556933632.db2.gz BVUKEIZACHMSEH-LMOLPZMTSA-O 1 0 432.475 3.159 40 0 IGABRO Cc1cccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccc(N(C)C)cc3)[C@H]2c2ccccc2)c1 ZINC000409060592 556937516 /nfs/dbraw/zinc/93/75/16/556937516.db2.gz VAUVGCYZWPQCJF-RPWUZVMVSA-O 1 0 427.528 3.077 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000409072775 556946231 /nfs/dbraw/zinc/94/62/31/556946231.db2.gz SJLZKLMFTOEZQL-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1OC ZINC000409073793 556946774 /nfs/dbraw/zinc/94/67/74/556946774.db2.gz TUOABJWSMPVVEQ-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO Cn1nc(-c2ccccc2F)cc1C[NH+]1CCC(NC(=O)C[C@@H]2CC(C)(C)OC2=O)CC1 ZINC000072390496 556960839 /nfs/dbraw/zinc/96/08/39/556960839.db2.gz KZSORNXRHUMQEL-MRXNPFEDSA-N 1 0 442.535 3.039 40 0 IGABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCCC[C@H]1Cc1ccccc1 ZINC000257207824 556980521 /nfs/dbraw/zinc/98/05/21/556980521.db2.gz BJLGZTLZMLYDDH-PKTZIBPZSA-N 1 0 448.611 3.383 40 0 IGABRO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000020111553 556986008 /nfs/dbraw/zinc/98/60/08/556986008.db2.gz ULYFRMBALBXDLV-UHFFFAOYSA-N 1 0 431.558 3.465 40 0 IGABRO COCC[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1cc(OC)cc(OC)c1)CC2)C(C)C ZINC000585103028 557037158 /nfs/dbraw/zinc/03/71/58/557037158.db2.gz BKTCTOZVRXKVJG-JOCHJYFZSA-N 1 0 434.577 3.072 40 0 IGABRO O=C(c1ccc(Cl)c(F)c1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC3CCCC3)C[C@@H]12 ZINC000585106277 557039555 /nfs/dbraw/zinc/03/95/55/557039555.db2.gz LYCLKXZBJDFHTC-MSOLQXFVSA-N 1 0 433.955 3.322 40 0 IGABRO O=C(Cc1ccccc1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@@H+]21 ZINC000585110070 557042613 /nfs/dbraw/zinc/04/26/13/557042613.db2.gz DYUWSEUNCOJLGU-BJKOFHAPSA-N 1 0 440.547 3.434 40 0 IGABRO CC[NH+](CC)CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C(=S)NCc1ccco1 ZINC000006193469 557148379 /nfs/dbraw/zinc/14/83/79/557148379.db2.gz YUSDIPSUBLAUPL-UHFFFAOYSA-N 1 0 442.585 3.348 40 0 IGABRO COc1cc2cc(CN(C(=S)NCCC[NH+](C)C)C3CCCC3)c(=O)[nH]c2cc1OC ZINC000006198518 557150128 /nfs/dbraw/zinc/15/01/28/557150128.db2.gz KUISDDFSJIUVSV-UHFFFAOYSA-N 1 0 446.617 3.116 40 0 IGABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108276 557177457 /nfs/dbraw/zinc/17/74/57/557177457.db2.gz MQWVUGCFBDRGDA-JOCHJYFZSA-N 1 0 445.523 3.382 40 0 IGABRO COc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OCc1cccs1 ZINC000022107527 557177583 /nfs/dbraw/zinc/17/75/83/557177583.db2.gz INXIQZMHQDGYPO-UHFFFAOYSA-N 1 0 425.967 3.395 40 0 IGABRO Cn1cc(N2CCN(Cc3ccccc3)C3(CC[NH+](Cc4cccc(F)c4)CC3)C2=O)cn1 ZINC000096230351 557184994 /nfs/dbraw/zinc/18/49/94/557184994.db2.gz YRVMCERNZWCKJW-UHFFFAOYSA-N 1 0 447.558 3.443 40 0 IGABRO C[NH2+]CC(=O)N1CCC(CO)(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262944 557203349 /nfs/dbraw/zinc/20/33/49/557203349.db2.gz FOIPTUPIXAGHIM-UHFFFAOYSA-N 1 0 437.569 3.021 40 0 IGABRO CCCc1ccc(O[C@H]2C[N@H+](Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)cc1 ZINC000585267902 557207253 /nfs/dbraw/zinc/20/72/53/557207253.db2.gz SOSNYZIMXZMZOE-DQEYMECFSA-N 1 0 438.568 3.264 40 0 IGABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H](O)C1 ZINC000585286230 557225263 /nfs/dbraw/zinc/22/52/63/557225263.db2.gz XZYMRJWYHCTUNU-ICSRJNTNSA-N 1 0 442.865 3.087 40 0 IGABRO COc1ccc(Cn2nnnc2[C@H](c2ccccc2OC)N2CCC(C(N)=O)CC2)cc1 ZINC000057671102 557257005 /nfs/dbraw/zinc/25/70/05/557257005.db2.gz UMSGRGKOKJXRRL-NRFANRHFSA-N 1 0 436.516 3.075 40 0 IGABRO COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000022929153 557277504 /nfs/dbraw/zinc/27/75/04/557277504.db2.gz QBSMJBZQCJCNIT-DEOSSOPVSA-N 1 0 432.572 3.380 40 0 IGABRO COc1cccc(CCN2C[C@H]3CC[N@@H+](Cc4cccc(OC)c4)CC[C@H]3S2(=O)=O)c1 ZINC000107183812 557335987 /nfs/dbraw/zinc/33/59/87/557335987.db2.gz PQNYXCMRYKKXNC-ZJSXRUAMSA-N 1 0 444.597 3.173 40 0 IGABRO CCOC(=O)Cc1c(C)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000013639844 557384821 /nfs/dbraw/zinc/38/48/21/557384821.db2.gz RRZNTUBUYVVUAJ-UHFFFAOYSA-N 1 0 446.551 3.096 40 0 IGABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)c(C)n1Cc1ccncc1 ZINC000223256767 557451523 /nfs/dbraw/zinc/45/15/23/557451523.db2.gz MPUCZENGZXJUND-PKTZIBPZSA-N 1 0 434.613 3.477 40 0 IGABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000019499542 557499751 /nfs/dbraw/zinc/49/97/51/557499751.db2.gz WAZACYLMXZCYEB-OAQYLSRUSA-N 1 0 437.592 3.003 40 0 IGABRO CCC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019503411 557500403 /nfs/dbraw/zinc/50/04/03/557500403.db2.gz MWEOZPNXOIVKRF-OAQYLSRUSA-N 1 0 437.592 3.003 40 0 IGABRO Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC3CC[NH+](C)CC3)c2)c1 ZINC000224143403 557566036 /nfs/dbraw/zinc/56/60/36/557566036.db2.gz WJHMQAIYURAVTO-UHFFFAOYSA-N 1 0 429.586 3.282 40 0 IGABRO Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NC3CC[NH+](C)CC3)c2)cc1 ZINC000224344026 557595051 /nfs/dbraw/zinc/59/50/51/557595051.db2.gz AFIRSGNAGKBMLO-UHFFFAOYSA-N 1 0 435.977 3.298 40 0 IGABRO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224510181 557614657 /nfs/dbraw/zinc/61/46/57/557614657.db2.gz GUDCYOTZYJOEJZ-OAQYLSRUSA-N 1 0 447.576 3.283 40 0 IGABRO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224619764 557631838 /nfs/dbraw/zinc/63/18/38/557631838.db2.gz HYNHIRDQHOUXBX-JOCHJYFZSA-N 1 0 447.576 3.283 40 0 IGABRO Cc1ccccc1N(CCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O ZINC000224632888 557633946 /nfs/dbraw/zinc/63/39/46/557633946.db2.gz OXPAZXNHEKIPNK-UHFFFAOYSA-N 1 0 443.613 3.453 40 0 IGABRO Cc1ccc(C)c(N(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1 ZINC000224653095 557636450 /nfs/dbraw/zinc/63/64/50/557636450.db2.gz JFVFSOTXTLHTOG-UHFFFAOYSA-N 1 0 443.613 3.372 40 0 IGABRO Cc1cccc(N(CCCC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000224791733 557651637 /nfs/dbraw/zinc/65/16/37/557651637.db2.gz ZORCWCSHWWTLRX-UHFFFAOYSA-N 1 0 443.613 3.453 40 0 IGABRO Cc1cccc(N([C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000224793756 557651892 /nfs/dbraw/zinc/65/18/92/557651892.db2.gz IPOCYMVWPFWFIX-IBGZPJMESA-N 1 0 429.586 3.062 40 0 IGABRO CCN(c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1)S(=O)(=O)CC ZINC000224798792 557652472 /nfs/dbraw/zinc/65/24/72/557652472.db2.gz NCLWFSJUSSAWTJ-UHFFFAOYSA-N 1 0 429.586 3.388 40 0 IGABRO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000225372959 557715434 /nfs/dbraw/zinc/71/54/34/557715434.db2.gz QLKIECHFRZQMQZ-PYCFMQQDSA-N 1 0 425.529 3.441 40 0 IGABRO CCCn1c2ccc(S(=O)(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2sc1=O ZINC000225734353 557770427 /nfs/dbraw/zinc/77/04/27/557770427.db2.gz WBLICSRYULLOKS-UHFFFAOYSA-N 1 0 446.598 3.026 40 0 IGABRO COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1ccc(F)cc1 ZINC000015676470 560095704 /nfs/dbraw/zinc/09/57/04/560095704.db2.gz YROUUYVUTUPKBO-IBGZPJMESA-N 1 0 427.863 3.464 40 0 biogenic,in-vitro IGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288113 568619375 /nfs/dbraw/zinc/61/93/75/568619375.db2.gz WLFNVRBVZIZUII-IMRHEYAYSA-N 1 0 427.532 3.374 40 0 IGABRO CCc1nnc(Nc2cccc([C@H]3CN(C(=O)CC[NH+]4CCC(C)CC4)CCO3)n2)s1 ZINC000257214222 568671692 /nfs/dbraw/zinc/67/16/92/568671692.db2.gz CLCWREXLBLQHOD-GOSISDBHSA-N 1 0 444.605 3.261 40 0 IGABRO C[NH+](C)CCOc1cccc(C(=O)N2CCC[C@H]2c2nc(Cc3ccc(F)cc3)n[nH]2)c1 ZINC000257229700 568678773 /nfs/dbraw/zinc/67/87/73/568678773.db2.gz FZEOHEUPAYQXJQ-NRFANRHFSA-N 1 0 437.519 3.452 40 0 IGABRO COc1ccccc1S(=O)(=O)N1CCO[C@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000257254265 568690301 /nfs/dbraw/zinc/69/03/01/568690301.db2.gz KCKHDRIDGIXSOM-FQEVSTJZSA-N 1 0 440.525 3.299 40 0 IGABRO COc1cc(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc(OC)c1 ZINC000257291412 568707231 /nfs/dbraw/zinc/70/72/31/568707231.db2.gz QGWBGPHPRIWCPE-LJQANCHMSA-N 1 0 426.561 3.167 40 0 IGABRO CC1CC[NH+](CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCCCC3)C2)CC1 ZINC000257297792 568710335 /nfs/dbraw/zinc/71/03/35/568710335.db2.gz RIUTZXMJXYXIFW-UPVQGACJSA-N 1 0 441.616 3.417 40 0 IGABRO Cc1ccccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257319416 568719725 /nfs/dbraw/zinc/71/97/25/568719725.db2.gz VSJGQWKVXCDFRC-KLJDGLGGSA-N 1 0 436.596 3.423 40 0 IGABRO C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257342259 568729476 /nfs/dbraw/zinc/72/94/76/568729476.db2.gz ZNUXLPSRRAFRRL-FQEVSTJZSA-N 1 0 437.519 3.452 40 0 IGABRO O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1)NC1CCCCC1 ZINC000257342483 568729645 /nfs/dbraw/zinc/72/96/45/568729645.db2.gz ZOVYJGFXHQHGPW-GNKBHMEESA-N 1 0 443.632 3.317 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@@H+](Cc4cccc(Cl)c4)C[C@H]2C3)cc1 ZINC000306123529 568762855 /nfs/dbraw/zinc/76/28/55/568762855.db2.gz APMOHXDHJZWFFQ-IAGOWNOFSA-N 1 0 437.931 3.497 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306130909 568766479 /nfs/dbraw/zinc/76/64/79/568766479.db2.gz JSIILKSMTNUHQN-CPJSRVTESA-N 1 0 436.556 3.421 40 0 IGABRO CCCN(CC1CC1)C(=O)[C@@H]1CCc2nnc(C3CC[NH+](Cc4cccnc4)CC3)n2C1 ZINC000306132975 568767646 /nfs/dbraw/zinc/76/76/46/568767646.db2.gz LXWPEXAEICDCIJ-JOCHJYFZSA-N 1 0 436.604 3.264 40 0 IGABRO COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccnc3)CC2)C1 ZINC000306133038 568767726 /nfs/dbraw/zinc/76/77/26/568767726.db2.gz LZUKZNNZYYPTPS-UHFFFAOYSA-N 1 0 436.491 3.053 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccnc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136477 568769421 /nfs/dbraw/zinc/76/94/21/568769421.db2.gz PUMPFGZQHNVIHH-RDGATRHJSA-N 1 0 430.556 3.272 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3cccnc3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306136475 568769474 /nfs/dbraw/zinc/76/94/74/568769474.db2.gz PUMPFGZQHNVIHH-DHLKQENFSA-N 1 0 430.556 3.272 40 0 IGABRO Cc1cccc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306139780 568771358 /nfs/dbraw/zinc/77/13/58/568771358.db2.gz UAIIENFLMILDFB-RSXGOPAZSA-N 1 0 428.536 3.182 40 0 IGABRO CCn1cc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000306143792 568773361 /nfs/dbraw/zinc/77/33/61/568773361.db2.gz YMMXJJSZLNRZDI-DHLKQENFSA-N 1 0 447.587 3.094 40 0 IGABRO CC(C)N1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccc3)cn21 ZINC000306144050 568773618 /nfs/dbraw/zinc/77/36/18/568773618.db2.gz YUKYIOTXOXWBNS-QHCPKHFHSA-N 1 0 446.599 3.179 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2cccnc2)n1 ZINC000329018864 568809395 /nfs/dbraw/zinc/80/93/95/568809395.db2.gz NTDWGLQSGQSGLG-UHFFFAOYSA-N 1 0 445.340 3.391 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2cccc(Br)c2)cc(-c2cccnc2)n1 ZINC000329021360 568809417 /nfs/dbraw/zinc/80/94/17/568809417.db2.gz OGPHXEWMZJFWFD-UHFFFAOYSA-N 1 0 427.350 3.252 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000010111187 569221128 /nfs/dbraw/zinc/22/11/28/569221128.db2.gz YIJIOHKPGZQAHT-UHFFFAOYSA-N 1 0 436.405 3.142 40 0 IGABRO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111298 569221136 /nfs/dbraw/zinc/22/11/36/569221136.db2.gz HYYZAIFCDHJVTA-UHFFFAOYSA-N 1 0 435.634 3.412 40 0 IGABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000010278089 569222095 /nfs/dbraw/zinc/22/20/95/569222095.db2.gz HAKRNXMESDFTMG-UHFFFAOYSA-N 1 0 445.585 3.237 40 0 IGABRO O=C(C[N@@H+]1CCC[C@H](Cc2ccccc2)C1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019370573 569226557 /nfs/dbraw/zinc/22/65/57/569226557.db2.gz DANDSPJTPYRIPI-DHIUTWEWSA-N 1 0 448.611 3.240 40 0 IGABRO CC(C)c1ncc(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)CCO)C2)cn1 ZINC000019702585 569232185 /nfs/dbraw/zinc/23/21/85/569232185.db2.gz FXTKRZMZAOQDNH-QGZVFWFLSA-N 1 0 439.585 3.264 40 0 IGABRO COc1ccc(CCC(=O)N2CCC(Cc3c(C[NH+](C)C)cnc4ccnn43)CC2)cc1 ZINC000019704741 569233644 /nfs/dbraw/zinc/23/36/44/569233644.db2.gz HQHKRTUELABEHW-UHFFFAOYSA-N 1 0 435.572 3.213 40 0 IGABRO O=C(NCc1cnn(-c2ccccc2)c1[C@H]1CC[N@@H+](C2CCOCC2)C1)c1ccccn1 ZINC000019708000 569234526 /nfs/dbraw/zinc/23/45/26/569234526.db2.gz ZBLWWYWIYTXXHU-IBGZPJMESA-N 1 0 431.540 3.166 40 0 IGABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)N1CCN(c2ccccn2)CC1 ZINC000008623665 291361138 /nfs/dbraw/zinc/36/11/38/291361138.db2.gz KCCBDMQGZBDZMW-VXKWHMMOSA-N 1 0 445.567 3.244 40 0 biogenic,in-vitro IGABRO COc1ccc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)c(OC)c1 ZINC000012328243 524024211 /nfs/dbraw/zinc/02/42/11/524024211.db2.gz PXBTYSANGQXHRD-UHFFFAOYSA-N 1 0 441.553 3.016 40 0 IGABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)C1 ZINC000022524855 524093886 /nfs/dbraw/zinc/09/38/86/524093886.db2.gz RDRNQQHPLYPSPL-FQEVSTJZSA-N 1 0 441.597 3.065 40 0 IGABRO COc1ccccc1N1CC[NH+](C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689873 524556312 /nfs/dbraw/zinc/55/63/12/524556312.db2.gz OTOWMTLJJGEOJP-JHLQHZFVSA-N 1 0 444.616 3.180 40 0 IGABRO COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](C(C)C)CC1 ZINC000012187103 524723755 /nfs/dbraw/zinc/72/37/55/524723755.db2.gz UKWZPXMRCGIEPN-QGZVFWFLSA-N 1 0 434.540 3.163 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2cc(Cl)ccc2C)cc1 ZINC000010111379 556325874 /nfs/dbraw/zinc/32/58/74/556325874.db2.gz ZNMKURCNTWLIAY-UHFFFAOYSA-N 1 0 437.993 3.220 40 0 IGABRO Cc1ccccc1CN(c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000013671735 556552390 /nfs/dbraw/zinc/55/23/90/556552390.db2.gz WXJKUMFBHPFCRJ-UHFFFAOYSA-N 1 0 429.586 3.177 40 0 IGABRO Cc1cccc(N(Cc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000013682456 556557396 /nfs/dbraw/zinc/55/73/96/556557396.db2.gz KKCLACXBMWGVLY-UHFFFAOYSA-N 1 0 429.586 3.177 40 0 IGABRO COc1ccc(/C=C/C(=O)OCC[NH2+]CCOC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000017285880 556674513 /nfs/dbraw/zinc/67/45/13/556674513.db2.gz IMCXEISUSBYHNH-MFUUIURDSA-N 1 0 425.481 3.106 40 0 IGABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019014348 556691547 /nfs/dbraw/zinc/69/15/47/556691547.db2.gz UARGIEJCSISEQX-TVADFSRQSA-N 1 0 432.568 3.348 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@H](O)c3ccc(NC(C)=O)cc3)CC1)C[C@H]2O ZINC000019022403 556694171 /nfs/dbraw/zinc/69/41/71/556694171.db2.gz KMHGFBIUWBSCGT-YADHBBJMSA-N 1 0 426.513 3.038 40 0 IGABRO CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000019086151 556699648 /nfs/dbraw/zinc/69/96/48/556699648.db2.gz RVNGJTCQNWXKQS-TZIWHRDSSA-N 1 0 443.617 3.100 40 0 IGABRO C=Cn1cc(C[NH+]2CCC(c3nc(N4CCOCC4)ncc3-c3cc(C)no3)CC2)c(C)n1 ZINC000019123276 556702199 /nfs/dbraw/zinc/70/21/99/556702199.db2.gz XBAMKYHIXYKMQA-UHFFFAOYSA-N 1 0 449.559 3.262 40 0 IGABRO O=C1CCCN1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000257335485 556706275 /nfs/dbraw/zinc/70/62/75/556706275.db2.gz YKIGMBHHWCRKLC-AREMUKBSSA-N 1 0 438.568 3.484 40 0 IGABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCN3CCCC3=O)cc2)c(C)c1 ZINC000257245745 556710983 /nfs/dbraw/zinc/71/09/83/556710983.db2.gz IQYBCKVZBUNQSD-JOCHJYFZSA-N 1 0 426.557 3.176 40 0 IGABRO COCCOCC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@@H+]2Cc1ccccc1 ZINC000257255719 556712062 /nfs/dbraw/zinc/71/20/62/556712062.db2.gz KIPGDOFGRGDHCT-UBFVSLLYSA-N 1 0 438.568 3.175 40 0 IGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3C)[nH]c(=O)c2C1 ZINC000019238693 556724008 /nfs/dbraw/zinc/72/40/08/556724008.db2.gz NNGQQHWTLLTSQJ-HXUWFJFHSA-N 1 0 449.580 3.379 40 0 IGABRO Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CC3CCCCC3)[nH]c(=O)c2C1 ZINC000019239486 556725034 /nfs/dbraw/zinc/72/50/34/556725034.db2.gz SEGNFWYNDGBOGC-QFIPXVFZSA-N 1 0 435.572 3.389 40 0 IGABRO Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C3CCC(C)CC3)[nH]c(=O)c2C1 ZINC000019239481 556725041 /nfs/dbraw/zinc/72/50/41/556725041.db2.gz JWKSJSCJWBHAFU-CWZMJNCASA-N 1 0 435.572 3.387 40 0 IGABRO O=C(C[N@@H+]1CCC2(C1)CCCCC2)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019291990 556731787 /nfs/dbraw/zinc/73/17/87/556731787.db2.gz RKYOSHYDTYIATG-FQEVSTJZSA-N 1 0 426.605 3.332 40 0 IGABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCCO2 ZINC000019345585 556742645 /nfs/dbraw/zinc/74/26/45/556742645.db2.gz QSPNGYMPRPVUAK-UXHICEINSA-N 1 0 429.488 3.371 40 0 IGABRO COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CCC[NH+](C)C ZINC000001224051 556769278 /nfs/dbraw/zinc/76/92/78/556769278.db2.gz VYVAEBBUZQGOIS-UHFFFAOYSA-N 1 0 426.546 3.031 40 0 IGABRO CCn1cc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](CC2CCCCC2)C3)cn1 ZINC000019524868 556782314 /nfs/dbraw/zinc/78/23/14/556782314.db2.gz UBJJFRLIDXRAEC-NRFANRHFSA-N 1 0 438.576 3.314 40 0 IGABRO CCOc1ncc(C2(O)CC[NH+](Cc3cc4c(cc3OC)CCC4)CC2)c(OCC)n1 ZINC000019531717 556792313 /nfs/dbraw/zinc/79/23/13/556792313.db2.gz ZQWUSOODFANGSB-UHFFFAOYSA-N 1 0 427.545 3.255 40 0 IGABRO COc1ccc2c(c1)NC1(CC[NH+](CCN3C(=O)c4ccccc4C3=O)CC1)c1cccn1-2 ZINC000019562014 556803396 /nfs/dbraw/zinc/80/33/96/556803396.db2.gz MWPYLMUNVKEZGB-UHFFFAOYSA-N 1 0 442.519 3.499 40 0 IGABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC1)O2 ZINC000019562220 556803857 /nfs/dbraw/zinc/80/38/57/556803857.db2.gz KWOFTCDBFNKTBP-SFTDATJTSA-N 1 0 441.524 3.241 40 0 IGABRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)c(C)s1 ZINC000019567953 556808112 /nfs/dbraw/zinc/80/81/12/556808112.db2.gz ZFOAKVVCMKYEEV-QGZVFWFLSA-N 1 0 426.586 3.123 40 0 IGABRO C[NH+](C)CCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2ccccc2)CCO1 ZINC000019697874 556855724 /nfs/dbraw/zinc/85/57/24/556855724.db2.gz VKWFNONVAWHSCV-IBGZPJMESA-N 1 0 437.565 3.406 40 0 IGABRO Cc1nc(CN(C)C(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)nc2c1CCC(=O)N2CC1CC1 ZINC000019698100 556856221 /nfs/dbraw/zinc/85/62/21/556856221.db2.gz GQUBPSPOPOSIKJ-UHFFFAOYSA-N 1 0 441.620 3.380 40 0 IGABRO Cc1nc([C@H]2CCCCN2C(=O)C[NH+](C)C)nc2c1CCCN2Cc1cccc(F)c1 ZINC000019706850 556865471 /nfs/dbraw/zinc/86/54/71/556865471.db2.gz ASMQEPJCASQMEB-OAQYLSRUSA-N 1 0 425.552 3.492 40 0 IGABRO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(NCCCc3ccc(F)cc3)c2C1 ZINC000019711302 556875474 /nfs/dbraw/zinc/87/54/74/556875474.db2.gz XUHXVUROCHWORY-LJQANCHMSA-N 1 0 425.552 3.374 40 0 IGABRO Cc1nc(C2CC[NH+](CC3=CCCOC3)CC2)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019739346 556877531 /nfs/dbraw/zinc/87/75/31/556877531.db2.gz QEEHORCHDYMTFC-UHFFFAOYSA-N 1 0 433.556 3.186 40 0 IGABRO CC[NH+](CC)CC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)C1 ZINC000019741619 556884291 /nfs/dbraw/zinc/88/42/91/556884291.db2.gz RFRHAJALTWXUJV-OAQYLSRUSA-N 1 0 449.599 3.312 40 0 IGABRO CCOc1ccc(C[NH+]2CCC3(C[C@@]4(CO3)Nc3ccccc3C(=O)N4)CC2)cc1OC ZINC000072325414 556902631 /nfs/dbraw/zinc/90/26/31/556902631.db2.gz XNAYBCVQRRXCQL-RUZDIDTESA-N 1 0 437.540 3.401 40 0 IGABRO CCN(CC[NH+](C)C)c1nc(-c2ccccn2)nc2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000072337495 556910333 /nfs/dbraw/zinc/91/03/33/556910333.db2.gz LVKQHRSFHOCLNM-UHFFFAOYSA-N 1 0 446.599 3.493 40 0 IGABRO COc1ccccc1CNC(=O)c1ccc(C2CC[NH+](Cc3cnn(C)c3C)CC2)nc1N ZINC000019765955 556911041 /nfs/dbraw/zinc/91/10/41/556911041.db2.gz IGOKMDOCODFBJL-UHFFFAOYSA-N 1 0 448.571 3.024 40 0 IGABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)nc2C)c1 ZINC000019766267 556911321 /nfs/dbraw/zinc/91/13/21/556911321.db2.gz YTFVMYXVRHKVQE-OAQYLSRUSA-N 1 0 431.540 3.498 40 0 IGABRO COc1ccc2c(c1)N[C@]1(CCC[N@H+](CCN3C(=O)c4ccccc4C3=O)C1)c1cccn1-2 ZINC000072341789 556914050 /nfs/dbraw/zinc/91/40/50/556914050.db2.gz KOBHRCCBGCFVIB-SANMLTNESA-N 1 0 442.519 3.499 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409056494 556934193 /nfs/dbraw/zinc/93/41/93/556934193.db2.gz RKNUALYCZDGZGX-WSBKAMHLSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc([C@H]2[C@@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409054125 556938138 /nfs/dbraw/zinc/93/81/38/556938138.db2.gz MWPTUZBLXZPBBA-GZUHYISBSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2C)cc1 ZINC000409055681 556938791 /nfs/dbraw/zinc/93/87/91/556938791.db2.gz CZHZASLUVXQGAB-PVTRQTPWSA-O 1 0 428.512 3.328 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 ZINC000409064530 556941089 /nfs/dbraw/zinc/94/10/89/556941089.db2.gz CTMVJELKXPBMOJ-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000409066041 556941629 /nfs/dbraw/zinc/94/16/29/556941629.db2.gz GTEHCHFELCWGGQ-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO C[C@@H](CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000072373065 556945467 /nfs/dbraw/zinc/94/54/67/556945467.db2.gz AXWIDKGJOYRIDG-UNMCSNQZSA-N 1 0 436.600 3.411 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 ZINC000409072846 556946269 /nfs/dbraw/zinc/94/62/69/556946269.db2.gz SQNQPLYQSJPUJY-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](Cc4ccc5nccnc5c4)C3)n2)ncn1 ZINC000072377997 556956689 /nfs/dbraw/zinc/95/66/89/556956689.db2.gz BHSWRNXDLFBOCS-KRWDZBQOSA-N 1 0 427.516 3.375 40 0 IGABRO CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072380071 556957576 /nfs/dbraw/zinc/95/75/76/556957576.db2.gz FONKYFMPSDQGRQ-HSZRJFAPSA-N 1 0 434.584 3.118 40 0 IGABRO CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3ccccn3)CC2)C1 ZINC000072380091 556957621 /nfs/dbraw/zinc/95/76/21/556957621.db2.gz PDFWVOHWDNOTJU-JOCHJYFZSA-N 1 0 434.584 3.118 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c(OC)c1OC ZINC000072390064 556960135 /nfs/dbraw/zinc/96/01/35/556960135.db2.gz LZMWPMQXZBMLLW-INIZCTEOSA-N 1 0 425.489 3.240 40 0 IGABRO CCCC(=O)N1CCc2nc(C3CC[NH+](Cc4cc(F)ccc4F)CC3)[nH]c(=O)c2C1 ZINC000072398989 556971243 /nfs/dbraw/zinc/97/12/43/556971243.db2.gz YRYRZJVJJLIDQO-UHFFFAOYSA-N 1 0 430.499 3.113 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCCN3C(=O)CNC(=O)c3ccccc3)CC2)cc1 ZINC000585099988 557034495 /nfs/dbraw/zinc/03/44/95/557034495.db2.gz BZNDLIZZVRHCER-SANMLTNESA-N 1 0 435.568 3.472 40 0 IGABRO COc1cccc(-c2ccc3c(c2)C2(CN3C(=O)CCN3CC[NH+](C)CC3)CCOCC2)c1 ZINC000585105685 557037419 /nfs/dbraw/zinc/03/74/19/557037419.db2.gz CIMFDERAIPIDNZ-UHFFFAOYSA-N 1 0 449.595 3.395 40 0 IGABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000585106235 557039674 /nfs/dbraw/zinc/03/96/74/557039674.db2.gz YEDSRRGJSMPZDD-UXHICEINSA-N 1 0 429.992 3.067 40 0 IGABRO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)CC2CCCC2)CC3)C1=O ZINC000096144399 557172458 /nfs/dbraw/zinc/17/24/58/557172458.db2.gz RSWJSAOFUUQRNH-SANMLTNESA-N 1 0 438.616 3.325 40 0 IGABRO CC(C)n1c2cc(C(=O)N3CCC([NH+](C)C)CC3)n(S(C)(=O)=O)c2c2ccccc21 ZINC000096146380 557176621 /nfs/dbraw/zinc/17/66/21/557176621.db2.gz WJIHZULPLNSNLX-UHFFFAOYSA-N 1 0 430.574 3.151 40 0 IGABRO Cc1ccccc1N1CCC(O)(C[NH+]2CCC(O)(COc3ccccc3F)CC2)CC1 ZINC000585282443 557221669 /nfs/dbraw/zinc/22/16/69/557221669.db2.gz KDAWPUVWKIDNCG-UHFFFAOYSA-N 1 0 428.548 3.371 40 0 IGABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCC(c3ccccc3)CC2)[C@@H](O)C1 ZINC000585283128 557222336 /nfs/dbraw/zinc/22/23/36/557222336.db2.gz CGHZVDWAOWMRMI-ZCYQVOJMSA-N 1 0 442.987 3.086 40 0 IGABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000585283097 557222405 /nfs/dbraw/zinc/22/24/05/557222405.db2.gz BRBOOKYLBYZXDT-LADGPHEKSA-N 1 0 428.960 3.158 40 0 IGABRO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010540963 557222608 /nfs/dbraw/zinc/22/26/08/557222608.db2.gz QFGNMHCNHSXGMT-UHFFFAOYSA-N 1 0 435.634 3.412 40 0 IGABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(OCC3(O)CCCCC3)cc2)[C@H](CO)[C@@H]1O ZINC000585294012 557233996 /nfs/dbraw/zinc/23/39/96/557233996.db2.gz CTRLOZWTVXWUMG-UBFVSLLYSA-N 1 0 425.569 3.390 40 0 IGABRO O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C1 ZINC000604381830 557236371 /nfs/dbraw/zinc/23/63/71/557236371.db2.gz QQGCLZUTDKWGOU-LJQANCHMSA-N 1 0 439.934 3.129 40 0 biogenic,in-vitro IGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382255 557237085 /nfs/dbraw/zinc/23/70/85/557237085.db2.gz LUMKPIFDYKDERC-VURPSTOHSA-N 1 0 435.490 3.351 40 0 biogenic,in-vitro IGABRO O=C(c1ccc(F)cc1)N1CCC([NH2+][C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000100191439 557246957 /nfs/dbraw/zinc/24/69/57/557246957.db2.gz TZMVWYJITKRIBC-LJQANCHMSA-N 1 0 429.879 3.005 40 0 IGABRO COCCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000057774117 557263998 /nfs/dbraw/zinc/26/39/98/557263998.db2.gz JHIJIEKNFRRMCY-MHECFPHRSA-N 1 0 427.545 3.205 40 0 IGABRO COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000022929798 557274319 /nfs/dbraw/zinc/27/43/19/557274319.db2.gz SCJFQVGXIRFFOK-JOCHJYFZSA-N 1 0 438.601 3.441 40 0 IGABRO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NCCc1ccccc1 ZINC000013561726 557352362 /nfs/dbraw/zinc/35/23/62/557352362.db2.gz GWNWHPCXBCSNGC-UHFFFAOYSA-N 1 0 431.462 3.446 40 0 IGABRO COc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019569124 557500905 /nfs/dbraw/zinc/50/09/05/557500905.db2.gz VIXLKURPAFTTTK-XMMPIXPASA-N 1 0 432.572 3.380 40 0 IGABRO COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000020139604 557515719 /nfs/dbraw/zinc/51/57/19/557515719.db2.gz NSSCOPPGSUETDZ-OAQYLSRUSA-N 1 0 428.581 3.095 40 0 IGABRO CCN(c1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224367015 557598712 /nfs/dbraw/zinc/59/87/12/557598712.db2.gz GQBWBFKDPOTIGG-UHFFFAOYSA-N 1 0 429.586 3.364 40 0 IGABRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000224528489 557616965 /nfs/dbraw/zinc/61/69/65/557616965.db2.gz LPVQKLMLALBZCT-SFHVURJKSA-N 1 0 447.576 3.283 40 0 IGABRO CC(C)c1ccccc1N(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)S(C)(=O)=O ZINC000224620514 557631828 /nfs/dbraw/zinc/63/18/28/557631828.db2.gz SSPJQZLOHJHTOR-UHFFFAOYSA-N 1 0 443.613 3.488 40 0 IGABRO Cc1cc(C)c(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c(C)c1 ZINC000224620679 557631863 /nfs/dbraw/zinc/63/18/63/557631863.db2.gz ACOJSBXZZFOKGJ-UHFFFAOYSA-N 1 0 443.613 3.290 40 0 IGABRO CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000225904908 557789917 /nfs/dbraw/zinc/78/99/17/557789917.db2.gz YIUSQWMNGBQVMW-KRWDZBQOSA-N 1 0 435.977 3.407 40 0 IGABRO Cc1cc(C)cc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000260892249 568627650 /nfs/dbraw/zinc/62/76/50/568627650.db2.gz XARWNRCMBRCSNV-HXUWFJFHSA-N 1 0 443.613 3.370 40 0 IGABRO Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000260902850 568628806 /nfs/dbraw/zinc/62/88/06/568628806.db2.gz XAFDRAUJPAVKAS-HXUWFJFHSA-N 1 0 443.613 3.370 40 0 IGABRO C[N@@H+]1CCN(C(=O)c2cccc(-c3cncnc3)n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257228914 568678409 /nfs/dbraw/zinc/67/84/09/568678409.db2.gz FVVKEOZIOMZYGK-IBGZPJMESA-N 1 0 438.535 3.333 40 0 IGABRO Cc1c(F)cccc1NC(=O)CN1CC[C@@]2(CCC[N@@H+]2CCc2ccccc2)[C@@H](O)C1 ZINC000257235261 568681613 /nfs/dbraw/zinc/68/16/13/568681613.db2.gz GXCHEQHQNWKBQK-ZCYQVOJMSA-N 1 0 425.548 3.217 40 0 IGABRO CNC(=O)C1(CC2CC[NH2+]CC2)CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 ZINC000257245270 568686186 /nfs/dbraw/zinc/68/61/86/568686186.db2.gz IOSSQKROWFBCGU-UHFFFAOYSA-N 1 0 429.580 3.382 40 0 IGABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)N1CCOCC1 ZINC000257259149 568692746 /nfs/dbraw/zinc/69/27/46/568692746.db2.gz KXBWPBTYGSOGHB-FQEVSTJZSA-N 1 0 426.536 3.013 40 0 IGABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(S(=O)(=O)c4cnn(C)c4C)C3)c2)c1 ZINC000257259709 568693004 /nfs/dbraw/zinc/69/30/04/568693004.db2.gz KZPXYDDUXVFUPB-KRWDZBQOSA-N 1 0 441.557 3.362 40 0 IGABRO Cc1nccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257266459 568695779 /nfs/dbraw/zinc/69/57/79/568695779.db2.gz MDDNQFZMQDETFF-OAQYLSRUSA-N 1 0 443.935 3.180 40 0 IGABRO c1cn2nc(C[C@H]3COCC[N@@H+](Cc4ccccc4OCc4cccnc4)C3)ccc2n1 ZINC000257287556 568705632 /nfs/dbraw/zinc/70/56/32/568705632.db2.gz PQLOQPMBBUMVOP-OAQYLSRUSA-N 1 0 429.524 3.394 40 0 IGABRO CC1CC[NH+](CC(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)CC1 ZINC000257291517 568707308 /nfs/dbraw/zinc/70/73/08/568707308.db2.gz QHIMNQUYUNMQMH-UHFFFAOYSA-N 1 0 449.599 3.046 40 0 IGABRO C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257299222 568710736 /nfs/dbraw/zinc/71/07/36/568710736.db2.gz RPDYSFSMRUSMGB-JOCHJYFZSA-N 1 0 447.539 3.374 40 0 IGABRO Cn1c(=O)c2ccc([C@@H]3CCCCN3Cc3cccnc3)nc2n(Cc2ccccc2)c1=O ZINC000257319609 568719614 /nfs/dbraw/zinc/71/96/14/568719614.db2.gz VTGQZDQBJWEEIF-QHCPKHFHSA-N 1 0 441.535 3.266 40 0 IGABRO CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000306133588 568767883 /nfs/dbraw/zinc/76/78/83/568767883.db2.gz MQGFBBKHSUXZBX-UHFFFAOYSA-N 1 0 439.560 3.011 40 0 IGABRO Cc1cc(C)cc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306133390 568767958 /nfs/dbraw/zinc/76/79/58/568767958.db2.gz MKBKOLOQFVZTGD-VPUSJEBWSA-N 1 0 442.563 3.491 40 0 IGABRO COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CC[NH+](Cc3sccc3C)CC2)C1 ZINC000306136370 568769461 /nfs/dbraw/zinc/76/94/61/568769461.db2.gz PRMXASUOTHLWBQ-UHFFFAOYSA-N 1 0 438.557 3.283 40 0 IGABRO C[NH+](C)CCCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)n1 ZINC000328973127 568808211 /nfs/dbraw/zinc/80/82/11/568808211.db2.gz DYVTYOYICQLZJA-UHFFFAOYSA-N 1 0 441.377 3.121 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Br)cc(-c2cccnc2)n1 ZINC000329022634 568809497 /nfs/dbraw/zinc/80/94/97/568809497.db2.gz OOCWDRICDIQBNX-UHFFFAOYSA-N 1 0 445.340 3.391 40 0 IGABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016024978 568863887 /nfs/dbraw/zinc/86/38/87/568863887.db2.gz FKANVUAATCYCSN-LXGFNCFKSA-N 1 0 448.361 3.014 40 0 IGABRO Cc1nn2cnnc2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198519 568921563 /nfs/dbraw/zinc/92/15/63/568921563.db2.gz BFAURSZAVUNUMG-LNGMVNIQSA-N 1 0 434.588 3.095 40 0 IGABRO CCCc1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CN(C(C)=O)Cc4cc(OC)ccc4O3)C2)cn1 ZINC000247938921 569206468 /nfs/dbraw/zinc/20/64/68/569206468.db2.gz MGBAIOHIBLFTJH-HYBUGGRVSA-N 1 0 438.572 3.459 40 0 IGABRO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[N@@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253499222 569208687 /nfs/dbraw/zinc/20/86/87/569208687.db2.gz RDVJMIQJPVMQAV-UGKGYDQZSA-N 1 0 433.560 3.220 40 0 IGABRO O=C([C@@H]1CC=CCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019343607 569226453 /nfs/dbraw/zinc/22/64/53/569226453.db2.gz DQOYQWZNYMWPOF-MSOLQXFVSA-N 1 0 438.597 3.452 40 0 IGABRO C[C@H](CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)c1ccccc1 ZINC000019455888 569226568 /nfs/dbraw/zinc/22/65/68/569226568.db2.gz AXWIDKGJOYRIDG-IFMALSPDSA-N 1 0 436.600 3.411 40 0 IGABRO C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H](c4ccccc4)C4CCCC4)C3)[nH]c(=O)c2C1 ZINC000019590210 569227320 /nfs/dbraw/zinc/22/73/20/569227320.db2.gz ALSBKKQFVFBFLU-NZQKXSOJSA-N 1 0 434.584 3.438 40 0 IGABRO COCCOc1cccc(C[N@@H+]2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 ZINC000019695054 569229557 /nfs/dbraw/zinc/22/95/57/569229557.db2.gz ITNNJEJRTQXVEW-LJQANCHMSA-N 1 0 434.544 3.014 40 0 IGABRO CNc1cc(CN(C)C(=O)C2(c3ccc(OC)cc3)CCCC2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709698 569234789 /nfs/dbraw/zinc/23/47/89/569234789.db2.gz BIKQGHDGDKOJSO-SFHVURJKSA-N 1 0 437.588 3.464 40 0 IGABRO O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1 ZINC000019713109 569235488 /nfs/dbraw/zinc/23/54/88/569235488.db2.gz LDTODBOOBLPJEC-JWQCQUIFSA-N 1 0 446.595 3.476 40 0 IGABRO CC[N@H+](CC(=O)N1CCC1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000019712703 569235540 /nfs/dbraw/zinc/23/55/40/569235540.db2.gz MUWPRAYFMPBASD-MOPGFXCFSA-N 1 0 428.558 3.170 40 0 IGABRO Cc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044871580 569249431 /nfs/dbraw/zinc/24/94/31/569249431.db2.gz HTHISIYFYBCFBR-LJQANCHMSA-N 1 0 429.586 3.062 40 0 IGABRO CCOC(=O)[C@@]1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000242574888 569462071 /nfs/dbraw/zinc/46/20/71/569462071.db2.gz NHXYXGLVSUDYEB-ZHALLVOQSA-N 1 0 428.337 3.441 40 0 IGABRO C[NH+](C)CCCNc1nc(-c2cccnc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000328958525 569582873 /nfs/dbraw/zinc/58/28/73/569582873.db2.gz APSJEXOHTMALRD-UHFFFAOYSA-N 1 0 435.429 3.898 40 0 IGABRO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+]2CCCCC2)cc1OC ZINC000223290812 193963361 /nfs/dbraw/zinc/96/33/61/193963361.db2.gz XWDYJWNCWCTKTA-JZJYNLBNSA-N 1 0 441.528 3.060 40 0 IGABRO CC1CC[NH+](CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000013675190 521003442 /nfs/dbraw/zinc/00/34/42/521003442.db2.gz WTDWDHSLUFZUFJ-UHFFFAOYSA-N 1 0 447.576 3.259 40 0 IGABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]CCO)C[C@@H](c3ccccc3F)N21 ZINC000012602983 523807789 /nfs/dbraw/zinc/80/77/89/523807789.db2.gz QZNFWZBAOJBDPH-FDMHNHSTSA-N 1 0 437.515 3.233 40 0 biogenic,in-vitro IGABRO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2ccccc2Cl)c1 ZINC000408576989 555927678 /nfs/dbraw/zinc/92/76/78/555927678.db2.gz ZHTRSKJXHAWYBC-UHFFFAOYSA-N 1 0 446.960 3.005 40 0 IGABRO C[NH+](C)CCCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000010111365 556325969 /nfs/dbraw/zinc/32/59/69/556325969.db2.gz YXEMZKVJBJPUOH-UHFFFAOYSA-N 1 0 444.384 3.257 40 0 IGABRO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000030754338 556504151 /nfs/dbraw/zinc/50/41/51/556504151.db2.gz SUFSBXVDGJBZTC-NHCUHLMSSA-N 1 0 449.661 3.021 40 0 IGABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(I)c1OCC(N)=O ZINC000036612902 556511429 /nfs/dbraw/zinc/51/14/29/556511429.db2.gz PXGFPZHHQBKGLD-UHFFFAOYSA-N 1 0 448.345 3.468 40 0 IGABRO Cc1cccc(N(Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000013612679 556534985 /nfs/dbraw/zinc/53/49/85/556534985.db2.gz KJYKWMCOXVHFRW-UHFFFAOYSA-N 1 0 429.586 3.177 40 0 IGABRO CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013632763 556539807 /nfs/dbraw/zinc/53/98/07/556539807.db2.gz CPPGBTNRIDSXJP-UHFFFAOYSA-N 1 0 429.586 3.259 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCC2)c2ccccc2C)cc1 ZINC000013674290 556553659 /nfs/dbraw/zinc/55/36/59/556553659.db2.gz WVDVORFHPBYMKS-UHFFFAOYSA-N 1 0 429.586 3.101 40 0 IGABRO [NH3+][C@H](Cc1ccccc1)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000033989304 556570501 /nfs/dbraw/zinc/57/05/01/556570501.db2.gz HBPTXDXGWDVDON-FCEUIQTBSA-N 1 0 425.554 3.302 40 0 IGABRO CCN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000044874868 556673937 /nfs/dbraw/zinc/67/39/37/556673937.db2.gz ZVGPMLIBWWDAHU-UHFFFAOYSA-N 1 0 429.586 3.388 40 0 IGABRO O=C(C[C@@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019014636 556691728 /nfs/dbraw/zinc/69/17/28/556691728.db2.gz BDBTVIJBCFUENB-RXVVDRJESA-N 1 0 428.577 3.496 40 0 IGABRO O=C(C[C@@H]1CCCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019014638 556691925 /nfs/dbraw/zinc/69/19/25/556691925.db2.gz BDBTVIJBCFUENB-GHTZIAJQSA-N 1 0 428.577 3.496 40 0 IGABRO COc1ccc2c(c1)OC1(CC[NH+](C[C@@H](O)c3ccc(NC(C)=O)cc3)CC1)C[C@H]2O ZINC000019022398 556694145 /nfs/dbraw/zinc/69/41/45/556694145.db2.gz KMHGFBIUWBSCGT-FGZHOGPDSA-N 1 0 426.513 3.038 40 0 IGABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(NC(C)=O)cc3)CC1)O2 ZINC000019022392 556694242 /nfs/dbraw/zinc/69/42/42/556694242.db2.gz SHNUEUVSCLOXIN-VXKWHMMOSA-N 1 0 426.513 3.038 40 0 IGABRO COc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(NC(C)=O)cc3)CC1)O2 ZINC000019022389 556694284 /nfs/dbraw/zinc/69/42/84/556694284.db2.gz SHNUEUVSCLOXIN-FCHUYYIVSA-N 1 0 426.513 3.038 40 0 IGABRO OCCC[N@@H+](Cc1ccc(OCCO)cc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000257256234 556712017 /nfs/dbraw/zinc/71/20/17/556712017.db2.gz KKOPQKIJXURTJL-JOCHJYFZSA-N 1 0 448.563 3.411 40 0 IGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 ZINC000019238697 556724183 /nfs/dbraw/zinc/72/41/83/556724183.db2.gz VZMGTTSOTNBHLZ-LJQANCHMSA-N 1 0 435.553 3.070 40 0 IGABRO NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019331713 556737066 /nfs/dbraw/zinc/73/70/66/556737066.db2.gz VTACGMFOGVHBSF-AREMUKBSSA-N 1 0 429.520 3.440 40 0 IGABRO O=C1CCCN1c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000019332366 556737619 /nfs/dbraw/zinc/73/76/19/556737619.db2.gz ANQQANGNKUODFP-FGZHOGPDSA-N 1 0 440.515 3.337 40 0 IGABRO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019370589 556747689 /nfs/dbraw/zinc/74/76/89/556747689.db2.gz AQFXCWWCDGVMGY-HSZRJFAPSA-N 1 0 448.611 3.240 40 0 IGABRO C[C@@H](CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2)n1cccn1 ZINC000019455301 556765443 /nfs/dbraw/zinc/76/54/43/556765443.db2.gz JMGLWOXSCHZQKF-LAUBAEHRSA-N 1 0 438.576 3.384 40 0 IGABRO C[C@H](CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2)n1cccn1 ZINC000019455307 556765544 /nfs/dbraw/zinc/76/55/44/556765544.db2.gz JMGLWOXSCHZQKF-UTKZUKDTSA-N 1 0 438.576 3.384 40 0 IGABRO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000019496335 556769108 /nfs/dbraw/zinc/76/91/08/556769108.db2.gz SXQYMWQNDVQMBK-LJQANCHMSA-N 1 0 449.599 3.189 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCN(C(=O)C[C@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555565 556798694 /nfs/dbraw/zinc/79/86/94/556798694.db2.gz IKQQUMCOJXYOEM-ICSRJNTNSA-N 1 0 448.567 3.421 40 0 IGABRO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253479099 556808861 /nfs/dbraw/zinc/80/88/61/556808861.db2.gz OQBXJQCEXOYVTF-OKHDYOJBSA-N 1 0 430.589 3.125 40 0 IGABRO CS(=O)(=O)N1CCCc2cc([C@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000019572433 556812868 /nfs/dbraw/zinc/81/28/68/556812868.db2.gz YVDQOEFCNVEOHN-HSZRJFAPSA-N 1 0 430.545 3.361 40 0 IGABRO COc1ccc(CN2CCc3c(nc(-c4ccncc4)nc3NCCC[NH+](C)C)C2)cc1 ZINC000019582391 556820408 /nfs/dbraw/zinc/82/04/08/556820408.db2.gz GONZQGTYUJZSHR-UHFFFAOYSA-N 1 0 432.572 3.469 40 0 IGABRO CCOCC[NH+]1CCN(c2c(C)c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn32)CC1 ZINC000004355686 556822099 /nfs/dbraw/zinc/82/20/99/556822099.db2.gz TXUHNNGNOBWNHG-UHFFFAOYSA-N 1 0 439.560 3.189 40 0 IGABRO COc1ccc2nc(C[N@@H+]3CC=CC[C@@]4(C(=O)N5CCN(C)CC5)CCC[C@@H]34)ccc2c1 ZINC000019589780 556824685 /nfs/dbraw/zinc/82/46/85/556824685.db2.gz RRJRWNSXVQHUSH-AOYPEHQESA-N 1 0 434.584 3.318 40 0 IGABRO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@@H+](C3CCCCC3)C1)C2=O ZINC000019699650 556859383 /nfs/dbraw/zinc/85/93/83/556859383.db2.gz SDKHTHCJBLBOLO-OAQYLSRUSA-N 1 0 438.572 3.010 40 0 IGABRO C[C@H]1CCC[N@H+](CC(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)C1 ZINC000019705802 556863197 /nfs/dbraw/zinc/86/31/97/556863197.db2.gz XVGGMKNPYGWEON-INIZCTEOSA-N 1 0 427.574 3.228 40 0 IGABRO C[NH+]1CCC(Nc2n[nH]c3nc([C@H]4CCCN(C(=O)COc5ccccc5)C4)ccc23)CC1 ZINC000019742922 556887151 /nfs/dbraw/zinc/88/71/51/556887151.db2.gz YKVRQELGADTAIH-SFHVURJKSA-N 1 0 448.571 3.249 40 0 IGABRO Cn1c(=O)c2c(C(F)(F)F)cc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)nc2n(C)c1=O ZINC000019744833 556891494 /nfs/dbraw/zinc/89/14/94/556891494.db2.gz FWPXEXPQEHPHQQ-AWEZNQCLSA-N 1 0 436.478 3.187 40 0 IGABRO CCn1nc(C)c(C[N@@H+]2CC[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)c1C ZINC000019761741 556905348 /nfs/dbraw/zinc/90/53/48/556905348.db2.gz CSRWQKQVBIDLRZ-LJQANCHMSA-N 1 0 435.572 3.122 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)c1F ZINC000072330582 556906768 /nfs/dbraw/zinc/90/67/68/556906768.db2.gz ROFWNZLTZRLYSD-HARLFGEKSA-N 1 0 427.520 3.478 40 0 IGABRO C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)NCCS(=O)(=O)NC2CCCCC2)C1 ZINC000072352564 556924507 /nfs/dbraw/zinc/92/45/07/556924507.db2.gz USMFRGBOBJAPOE-INIZCTEOSA-N 1 0 449.642 3.302 40 0 IGABRO Nc1ncnc2nc([C@@H]3CCCN(C(=O)[C@@H]([NH3+])c4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000072354390 556929929 /nfs/dbraw/zinc/92/99/29/556929929.db2.gz DWNDYARYBDXDPS-DYVFJYSZSA-N 1 0 430.434 3.032 40 0 IGABRO Cc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 ZINC000409057271 556934594 /nfs/dbraw/zinc/93/45/94/556934594.db2.gz KBZGDKLZWJPFLR-ZEQRLZLVSA-O 1 0 427.528 3.077 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1 ZINC000409058468 556935718 /nfs/dbraw/zinc/93/57/18/556935718.db2.gz NIFXPJLVGHNDHH-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc([C@H]2[C@H](NC(=O)c3ccc(C)cc3)C(=O)N/[N+]2=C\c2ccccc2OC)cc1 ZINC000409059394 556936520 /nfs/dbraw/zinc/93/65/20/556936520.db2.gz MUJPOVQRMSADIL-PVTRQTPWSA-O 1 0 444.511 3.028 40 0 IGABRO Cc1ccc([C@H]2[C@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 ZINC000409061634 556939403 /nfs/dbraw/zinc/93/94/03/556939403.db2.gz YUMZFNRITCMDFJ-DQEYMECFSA-O 1 0 441.555 3.386 40 0 IGABRO COc1ccc(C(=O)N[C@H]2C(=O)N/[N+](=C\c3ccccc3C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000409066031 556941632 /nfs/dbraw/zinc/94/16/32/556941632.db2.gz GTEHCHFELCWGGQ-GZUHYISBSA-O 1 0 444.511 3.028 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000409069392 556942340 /nfs/dbraw/zinc/94/23/40/556942340.db2.gz MSCPDNTUEVFSOX-NXTBZVMJSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000409072769 556946218 /nfs/dbraw/zinc/94/62/18/556946218.db2.gz SJLZKLMFTOEZQL-HTZJYPRQSA-O 1 0 444.511 3.028 40 0 IGABRO CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CC[NH+](Cc3ccccn3)CC2)C1 ZINC000072380090 556957667 /nfs/dbraw/zinc/95/76/67/556957667.db2.gz PDFWVOHWDNOTJU-QFIPXVFZSA-N 1 0 434.584 3.118 40 0 IGABRO Cc1noc(C)c1C(=O)NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@@H+]21 ZINC000585110210 557043352 /nfs/dbraw/zinc/04/33/52/557043352.db2.gz XPRDSBVEBBUICZ-LEWJYISDSA-N 1 0 445.523 3.110 40 0 IGABRO CC1CC[NH+](CCCNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 ZINC000024316277 557143969 /nfs/dbraw/zinc/14/39/69/557143969.db2.gz YPRPPTLNNNKUBP-UHFFFAOYSA-N 1 0 429.586 3.364 40 0 IGABRO COc1ccc2cc(CN(CCC[NH+](C)C)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000006198475 557150073 /nfs/dbraw/zinc/15/00/73/557150073.db2.gz ZHLLXZQQWDKCNA-UHFFFAOYSA-N 1 0 430.618 3.498 40 0 IGABRO Cc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)Nc2cccnc2C)Cn2ccnc23)cc1 ZINC000096243874 557188249 /nfs/dbraw/zinc/18/82/49/557188249.db2.gz XGMIAKXVTJIHJV-QFIPXVFZSA-N 1 0 431.540 3.424 40 0 IGABRO Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccc(F)cc3)CC2)O1 ZINC000096243876 557188295 /nfs/dbraw/zinc/18/82/95/557188295.db2.gz YYPVRVSOIBVIPM-OAQYLSRUSA-N 1 0 435.503 3.254 40 0 IGABRO COc1ccc(NC(=O)[C@H]2Cn3ccnc3C3(CC[NH+](Cc4ccccc4)CC3)O2)cc1 ZINC000096263249 557190952 /nfs/dbraw/zinc/19/09/52/557190952.db2.gz QQUKXXFCLGLGNO-JOCHJYFZSA-N 1 0 432.524 3.421 40 0 IGABRO CC(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000057773660 557265715 /nfs/dbraw/zinc/26/57/15/557265715.db2.gz MBLBQAFIDLVYMS-DHIUTWEWSA-N 1 0 437.584 3.111 40 0 IGABRO CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223277585 557455081 /nfs/dbraw/zinc/45/50/81/557455081.db2.gz ZPFQLUSQSGSXOS-PKTZIBPZSA-N 1 0 434.613 3.472 40 0 IGABRO C[NH+](C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000223281683 557455231 /nfs/dbraw/zinc/45/52/31/557455231.db2.gz CERLMMWREAACCI-PMACEKPBSA-N 1 0 426.977 3.455 40 0 IGABRO CC1(C)N=C2N(C#N)CN(Cc3ccccc3)CN2[C@H]2CC[N@H+](Cc3ccccc3)C=C21 ZINC000054473537 557543273 /nfs/dbraw/zinc/54/32/73/557543273.db2.gz UARUSFIANQDDPZ-DEOSSOPVSA-N 1 0 426.568 3.281 40 0 IGABRO Cc1cccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000224508224 557614369 /nfs/dbraw/zinc/61/43/69/557614369.db2.gz VKGRSXYLFZTRIN-IBGZPJMESA-N 1 0 429.586 3.062 40 0 IGABRO CCc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000224508754 557614453 /nfs/dbraw/zinc/61/44/53/557614453.db2.gz PQVWHDYXZQVIOZ-IBGZPJMESA-N 1 0 443.613 3.316 40 0 IGABRO CSc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000224629366 557633152 /nfs/dbraw/zinc/63/31/52/557633152.db2.gz DSZDJJLQCGRBSW-UHFFFAOYSA-N 1 0 447.626 3.087 40 0 IGABRO C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCC2)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000224689719 557640592 /nfs/dbraw/zinc/64/05/92/557640592.db2.gz HIFJCWMRGCWUOA-GOSISDBHSA-N 1 0 447.576 3.283 40 0 IGABRO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCCCC4)c3)ccc21 ZINC000224701553 557642127 /nfs/dbraw/zinc/64/21/27/557642127.db2.gz LWEZFZQTNSMKLV-UHFFFAOYSA-N 1 0 441.597 3.450 40 0 IGABRO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224783572 557650989 /nfs/dbraw/zinc/65/09/89/557650989.db2.gz SKDLCHBNWCUESY-QFIPXVFZSA-N 1 0 447.576 3.283 40 0 IGABRO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCC3)ccc21 ZINC000224803961 557653177 /nfs/dbraw/zinc/65/31/77/557653177.db2.gz VNUYGLFGSMVCTN-UHFFFAOYSA-N 1 0 439.581 3.060 40 0 IGABRO CCn1c2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCC3)cc2sc1=O ZINC000224805246 557653287 /nfs/dbraw/zinc/65/32/87/557653287.db2.gz KIPBDHBNJPOJRA-UHFFFAOYSA-N 1 0 431.583 3.157 40 0 IGABRO COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1C(=O)COc1ccccc1 ZINC000015676480 560095721 /nfs/dbraw/zinc/09/57/21/560095721.db2.gz KKAPNIGDHLGRSZ-FQEVSTJZSA-N 1 0 439.899 3.090 40 0 biogenic,in-vitro IGABRO COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCC[NH+](C)C)CO2 ZINC000040935309 563112652 /nfs/dbraw/zinc/11/26/52/563112652.db2.gz ROFMCPHQNWGXGE-GOSISDBHSA-N 1 0 436.512 3.216 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1OCCn1cccn1 ZINC000585271172 568617785 /nfs/dbraw/zinc/61/77/85/568617785.db2.gz KWCBWJPEDRJOGR-RUZDIDTESA-N 1 0 437.540 3.377 40 0 IGABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](O)C1 ZINC000585285675 568618970 /nfs/dbraw/zinc/61/89/70/568618970.db2.gz RVBPFLVZUFZTPX-ICSRJNTNSA-N 1 0 442.865 3.087 40 0 IGABRO Cc1cccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000260886165 568626981 /nfs/dbraw/zinc/62/69/81/568626981.db2.gz GCSSGSJRKHHHIG-HXUWFJFHSA-N 1 0 443.613 3.452 40 0 IGABRO CCc1ccc(N([C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)cc1 ZINC000260902818 568628769 /nfs/dbraw/zinc/62/87/69/568628769.db2.gz WDXIXVHJSQEVQA-LJQANCHMSA-N 1 0 443.613 3.316 40 0 IGABRO O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1)c1cccc(F)c1 ZINC000257211330 568670326 /nfs/dbraw/zinc/67/03/26/568670326.db2.gz BYMPGKAAECCPBI-VDKIKQQVSA-N 1 0 426.532 3.129 40 0 IGABRO C[C@@H]1C[NH+](CCC(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)C[C@@H](C)O1 ZINC000257225015 568676447 /nfs/dbraw/zinc/67/64/47/568676447.db2.gz FELWNLZRERFHBI-RTBURBONSA-N 1 0 433.556 3.265 40 0 IGABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1 ZINC000257227588 568677899 /nfs/dbraw/zinc/67/78/99/568677899.db2.gz FQAFDZJFXWXKHQ-HSZRJFAPSA-N 1 0 435.996 3.323 40 0 IGABRO CC(C)[NH+]1CCC(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1 ZINC000257227589 568677904 /nfs/dbraw/zinc/67/79/04/568677904.db2.gz FQAFDZJFXWXKHQ-QHCPKHFHSA-N 1 0 435.996 3.323 40 0 IGABRO CC(C)(C)c1ccc(OCC(N)=O)c(C[N@@H+]2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)c1 ZINC000257228652 568678322 /nfs/dbraw/zinc/67/83/22/568678322.db2.gz FUSPGGAHYUUGIR-REWPJTCUSA-N 1 0 444.547 3.392 40 0 IGABRO COc1ccc(C)cc1C[NH+]1CCC(c2nnc([C@H]3CCCCN3S(C)(=O)=O)o2)CC1 ZINC000257234657 568681316 /nfs/dbraw/zinc/68/13/16/568681316.db2.gz GUNTVXBXXNSIJW-LJQANCHMSA-N 1 0 448.589 3.253 40 0 IGABRO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2Cc2ccnc(N3CCCC3)n2)cc1 ZINC000257235718 568681983 /nfs/dbraw/zinc/68/19/83/568681983.db2.gz GZBRJHKBFUOLPA-HWBMXIPRSA-N 1 0 435.572 3.460 40 0 IGABRO CC1(C)C=C(CC(=O)N2CCO[C@@H](c3ccc(Nc4cnccn4)cn3)C2)CC(C)(C)[NH2+]1 ZINC000257241043 568684375 /nfs/dbraw/zinc/68/43/75/568684375.db2.gz HWJRUINPBQSARZ-HXUWFJFHSA-N 1 0 436.560 3.382 40 0 IGABRO C[NH+](C)CCOc1cccc(C(=O)N2[C@H](c3ccc(F)cc3)C[C@H]3NC(=O)CCC[C@@H]32)c1 ZINC000257254740 568690749 /nfs/dbraw/zinc/69/07/49/568690749.db2.gz KEMCLAAXAUPZSI-VJBWXMMDSA-N 1 0 439.531 3.391 40 0 IGABRO Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@@H+]1CCC[C@@](C(N)=O)(c2ccccn2)C1 ZINC000257275626 568700190 /nfs/dbraw/zinc/70/01/90/568700190.db2.gz NQEAYWXMHLEJOX-SANMLTNESA-N 1 0 432.568 3.438 40 0 IGABRO C[C@]1(O)CCN(CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@H]1Oc1cccc(F)c1 ZINC000257277740 568700973 /nfs/dbraw/zinc/70/09/73/568700973.db2.gz NZELAKNCGGPMPQ-RXVVDRJESA-N 1 0 433.480 3.417 40 0 IGABRO COc1cc(C[N@@H+]2CC[C@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)cc(OC)c1 ZINC000257291411 568707285 /nfs/dbraw/zinc/70/72/85/568707285.db2.gz QGWBGPHPRIWCPE-IBGZPJMESA-N 1 0 426.561 3.167 40 0 IGABRO CNc1nc([C@H]2CCN(C(=O)CCCc3ccc(F)c(C)c3)C2)nc2c1CN(C)CC2 ZINC000257307957 568714567 /nfs/dbraw/zinc/71/45/67/568714567.db2.gz TUWHBRVHUFTWOW-SFHVURJKSA-N 1 0 425.552 3.293 40 0 IGABRO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccccc1N1CCCCC1)CC2 ZINC000257312435 568716603 /nfs/dbraw/zinc/71/66/03/568716603.db2.gz UNYGZCGLYCBAOZ-NRFANRHFSA-N 1 0 448.615 3.403 40 0 IGABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(S(=O)(=O)c4cn(C)cn4)C3)c2)c1 ZINC000257336414 568727226 /nfs/dbraw/zinc/72/72/26/568727226.db2.gz YOHPHJDORGZWAR-QGZVFWFLSA-N 1 0 441.557 3.444 40 0 IGABRO C[N@@H+]1CCN(C(=O)c2ccnc(-c3cncnc3)c2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257337604 568727643 /nfs/dbraw/zinc/72/76/43/568727643.db2.gz YTNCEJHEHZTAAN-LJQANCHMSA-N 1 0 438.535 3.333 40 0 IGABRO Cc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CC[NH+]2CCCC2)no1 ZINC000306123184 568762530 /nfs/dbraw/zinc/76/25/30/568762530.db2.gz AGQOFWILGLESRT-UHFFFAOYSA-N 1 0 447.539 3.466 40 0 IGABRO COc1ccc(CN2C[C@@]3(CC[N@@H+](C4CCC4)C3)Oc3ccccc3S2(=O)=O)cc1 ZINC000306135822 568769112 /nfs/dbraw/zinc/76/91/12/568769112.db2.gz PCBLVFHLYHELBI-QHCPKHFHSA-N 1 0 428.554 3.276 40 0 IGABRO Cc1ncsc1C[N@@H+]1CC[C@]2(c3ccccc3)CCc3nnc(C(=O)NC4CC4)n3C[C@H]12 ZINC000306141006 568772029 /nfs/dbraw/zinc/77/20/29/568772029.db2.gz VIQMDTKLBFKSNL-RDPSFJRHSA-N 1 0 448.596 3.094 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccncc2)n1 ZINC000329000672 568808906 /nfs/dbraw/zinc/80/89/06/568808906.db2.gz KBDHEZXAGQUREW-UHFFFAOYSA-N 1 0 445.340 3.391 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2Br)cc(-c2ccncc2)n1 ZINC000329037047 568810073 /nfs/dbraw/zinc/81/00/73/568810073.db2.gz RLQLBVQICBTHFS-UHFFFAOYSA-N 1 0 445.340 3.391 40 0 IGABRO COc1ccc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329069411 568811154 /nfs/dbraw/zinc/81/11/54/568811154.db2.gz YXFHUFCWUHREBV-UHFFFAOYSA-N 1 0 437.388 3.474 40 0 IGABRO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000103507478 568897081 /nfs/dbraw/zinc/89/70/81/568897081.db2.gz CAJNLWNSIOWMER-JKPKGCNWSA-N 1 0 449.938 3.494 40 0 IGABRO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)[nH]n1 ZINC000257198969 568921659 /nfs/dbraw/zinc/92/16/59/568921659.db2.gz NNOIQBMRUQNVGM-WGWURMLHSA-N 1 0 434.588 3.462 40 0 IGABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cc(C)ccc4OC)C[C@H]32)c(OCC)n1 ZINC000247937826 569206556 /nfs/dbraw/zinc/20/65/56/569206556.db2.gz SXPYBZZQDYHDFU-WPSZSDGUSA-N 1 0 427.545 3.321 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000247918219 569206585 /nfs/dbraw/zinc/20/65/85/569206585.db2.gz WUTHUAUABDRREL-WOJBJXKFSA-N 1 0 448.567 3.421 40 0 IGABRO O=C(C[C@H]1CCCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](C1CCCC1)C2 ZINC000019014640 569226075 /nfs/dbraw/zinc/22/60/75/569226075.db2.gz BDBTVIJBCFUENB-NQIIRXRSSA-N 1 0 428.577 3.496 40 0 IGABRO CC[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)[C@@H](C)C1 ZINC000019527035 569226844 /nfs/dbraw/zinc/22/68/44/569226844.db2.gz KSIYVZAIKRPLAT-AZUAARDMSA-N 1 0 435.634 3.207 40 0 IGABRO CC(=O)N1C[C@H](C(=O)Nc2ccc(Cn3cccn3)cc2)[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019699200 569230405 /nfs/dbraw/zinc/23/04/05/569230405.db2.gz RRUOZVCOZPSASV-RPBOFIJWSA-N 1 0 445.567 3.194 40 0 IGABRO CCn1nc(C)c(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)NCCOC)C2)c1C ZINC000019702621 569232244 /nfs/dbraw/zinc/23/22/44/569232244.db2.gz FEIHPTKDYIEEPE-QGZVFWFLSA-N 1 0 441.601 3.495 40 0 IGABRO CN(C)c1cc(CN(C)C(=O)c2csc(Cc3ccccc3)n2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760077 569237480 /nfs/dbraw/zinc/23/74/80/569237480.db2.gz QJMWZUPNGMRINI-SFHVURJKSA-N 1 0 436.585 3.287 40 0 IGABRO Cc1ccc(C)c(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000044871964 569249397 /nfs/dbraw/zinc/24/93/97/569249397.db2.gz ACJSEABLYGJMJD-HXUWFJFHSA-N 1 0 443.613 3.370 40 0 IGABRO Cc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044874147 569249453 /nfs/dbraw/zinc/24/94/53/569249453.db2.gz SHQCQRIXNSABCD-HXUWFJFHSA-N 1 0 443.613 3.452 40 0 IGABRO Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218609734 569458746 /nfs/dbraw/zinc/45/87/46/569458746.db2.gz PZNWUMMNDSWCMW-MZKRTTBSSA-N 1 0 430.570 3.465 40 0 IGABRO CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000008636220 291355798 /nfs/dbraw/zinc/35/57/98/291355798.db2.gz GNBYPYURLYHSMX-LLZJGCNPSA-N 1 0 432.612 3.251 40 0 biogenic,in-vitro IGABRO CC(=O)N1CC[NH+](C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cncn4C)o3)C[C@H]2C(C)C)CC1 ZINC000035442718 519585106 /nfs/dbraw/zinc/58/51/06/519585106.db2.gz ZLFHPHAUZGEXDJ-ACRUOGEOSA-N 1 0 440.592 3.031 40 0 biogenic,in-vitro IGABRO CC1CC[NH+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000013674877 521008383 /nfs/dbraw/zinc/00/83/83/521008383.db2.gz VSAQKDCERBSCPU-UHFFFAOYSA-N 1 0 429.586 3.364 40 0 IGABRO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 ZINC000072345579 527044513 /nfs/dbraw/zinc/04/45/13/527044513.db2.gz CPKRQHZKRVCWAT-OAQYLSRUSA-N 1 0 438.572 3.424 40 0 IGABRO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)cc1 ZINC000008278885 556155756 /nfs/dbraw/zinc/15/57/56/556155756.db2.gz KBVUNEXVIWCVPU-UHFFFAOYSA-N 1 0 429.586 3.426 40 0 IGABRO O=C1c2cccc3cccc(c32)C(=O)N1CCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000028048309 556443022 /nfs/dbraw/zinc/44/30/22/556443022.db2.gz GKDOHESLYFKKFD-UHFFFAOYSA-N 1 0 429.524 3.218 40 0 IGABRO O=C(c1ccc(F)cc1)N1CCC([NH2+][C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000014944103 556459370 /nfs/dbraw/zinc/45/93/70/556459370.db2.gz TZMVWYJITKRIBC-IBGZPJMESA-N 1 0 429.879 3.005 40 0 IGABRO NC(=O)COc1c(Br)cc(C[NH2+]CCc2ccccc2)cc1Br ZINC000036612907 556511531 /nfs/dbraw/zinc/51/15/31/556511531.db2.gz MSVPVPDDIAYSRI-UHFFFAOYSA-N 1 0 442.151 3.408 40 0 IGABRO COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030943057 556516517 /nfs/dbraw/zinc/51/65/17/556516517.db2.gz IBLJTPUETWTJDG-INIZCTEOSA-N 1 0 430.476 3.480 40 0 IGABRO CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC000015357232 556522914 /nfs/dbraw/zinc/52/29/14/556522914.db2.gz WAYMXSCBRNPJMH-UHFFFAOYSA-N 1 0 441.597 3.450 40 0 IGABRO CSc1ccc([C@H]2NC3=NCN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1 ZINC000013638215 556541620 /nfs/dbraw/zinc/54/16/20/556541620.db2.gz SNBFKQMVOFLRSM-NRFANRHFSA-N 1 0 435.601 3.253 40 0 IGABRO Cc1ccc(CN(c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000013676601 556554499 /nfs/dbraw/zinc/55/44/99/556554499.db2.gz BDWHSQCRNKENEP-UHFFFAOYSA-N 1 0 429.586 3.177 40 0 IGABRO COc1ccccc1N1CN(CCC[NH+](C)C)Cn2c(=O)c(Cc3ccccc3)c(C)nc21 ZINC000038830120 556621300 /nfs/dbraw/zinc/62/13/00/556621300.db2.gz XZXKJFMGDDFYLW-UHFFFAOYSA-N 1 0 447.583 3.472 40 0 IGABRO O=C(NCc1cccc(CN2CCOCC2)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000038831439 556622054 /nfs/dbraw/zinc/62/20/54/556622054.db2.gz SFPWAYBGQWJCFE-UHFFFAOYSA-N 1 0 425.548 3.186 40 0 IGABRO O[C@@H]1C[C@H]2C[N@H+](CCc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514289277 556625475 /nfs/dbraw/zinc/62/54/75/556625475.db2.gz KRJPWYODPKGWDH-XZOQPEGZSA-N 1 0 445.529 3.253 40 0 biogenic,in-vitro IGABRO O[C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)N2C1 ZINC000514290442 556626568 /nfs/dbraw/zinc/62/65/68/556626568.db2.gz ZWPLBWPOSFFEPT-FGZHOGPDSA-N 1 0 431.502 3.211 40 0 biogenic,in-vitro IGABRO CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000044872190 556673361 /nfs/dbraw/zinc/67/33/61/556673361.db2.gz KNSMRHUTRBRFJP-UHFFFAOYSA-N 1 0 447.576 3.284 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 ZINC000044902758 556678452 /nfs/dbraw/zinc/67/84/52/556678452.db2.gz QFIUZVFPZKYXKH-QHCPKHFHSA-N 1 0 449.661 3.308 40 0 IGABRO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@@H+](CC(=O)N3CCC(C)CC3)C2)on1 ZINC000019124121 556702572 /nfs/dbraw/zinc/70/25/72/556702572.db2.gz HNLLVVNCPKSPCI-LJQANCHMSA-N 1 0 436.560 3.439 40 0 IGABRO COc1ccc(C[N@H+](C)[C@@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@H]2O)cc1 ZINC000257223490 556708129 /nfs/dbraw/zinc/70/81/29/556708129.db2.gz DXOGSCYFTGMRQI-CLJLJLNGSA-N 1 0 433.552 3.346 40 0 IGABRO CC(=O)N1CCc2cc([C@H](O)C[NH+]3CCC4(CC3)C[C@@H](O)c3cc(C)ccc3O4)ccc21 ZINC000019219280 556713716 /nfs/dbraw/zinc/71/37/16/556713716.db2.gz HKWGJUCCEGLSEC-DNQXCXABSA-N 1 0 436.552 3.288 40 0 IGABRO Cc1c(C)n(C[C@@H](O)C[N@@H+](C)Cc2ccc(OCCOCCO)cc2)c2ccccc12 ZINC000257270884 556713845 /nfs/dbraw/zinc/71/38/45/556713845.db2.gz MWAGNCMBUHBTEX-QFIPXVFZSA-N 1 0 426.557 3.139 40 0 IGABRO O=C(CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1)Nc1ccccc1OC(F)F ZINC000257296380 556716788 /nfs/dbraw/zinc/71/67/88/556716788.db2.gz RCONOPGJKCNMAQ-URXFXBBRSA-N 1 0 445.510 3.328 40 0 IGABRO COc1cc(C[N@@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCCC(=O)N3)cc(OC)c1OC ZINC000019236377 556721201 /nfs/dbraw/zinc/72/12/01/556721201.db2.gz DALMHTHBOKLRTK-UQBPGWFLSA-N 1 0 439.556 3.444 40 0 IGABRO COc1cc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1OC ZINC000000896102 556741064 /nfs/dbraw/zinc/74/10/64/556741064.db2.gz UDTXZOHWDIPKLS-UHFFFAOYSA-N 1 0 440.569 3.306 40 0 IGABRO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000096402883 556760393 /nfs/dbraw/zinc/76/03/93/556760393.db2.gz QJSXYMDBXXURBE-BILGYAHESA-N 1 0 429.520 3.149 40 0 IGABRO COc1ccccc1CNC(=O)C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380630 556796932 /nfs/dbraw/zinc/79/69/32/556796932.db2.gz BHGMFTLGUGYZHJ-UHFFFAOYSA-N 1 0 447.461 3.412 40 0 IGABRO Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)cnn1C ZINC000019553342 556797164 /nfs/dbraw/zinc/79/71/64/556797164.db2.gz CFLVDXMIPGADPX-OAQYLSRUSA-N 1 0 438.576 3.282 40 0 IGABRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2CCO)c1 ZINC000019565180 556805878 /nfs/dbraw/zinc/80/58/78/556805878.db2.gz MWTBWQHPYRDJKI-HSZRJFAPSA-N 1 0 448.571 3.278 40 0 IGABRO Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)nc1 ZINC000019690542 556846537 /nfs/dbraw/zinc/84/65/37/556846537.db2.gz IVLZGHZTXHGHDK-XMMPIXPASA-N 1 0 448.611 3.097 40 0 IGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(O)(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000008917833 556851225 /nfs/dbraw/zinc/85/12/25/556851225.db2.gz MWPMSHAXOHRZSG-LFBVJSBHSA-N 1 0 439.596 3.341 40 0 IGABRO C[NH+](C)CCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2ccccc2)CCO1 ZINC000019697875 556855800 /nfs/dbraw/zinc/85/58/00/556855800.db2.gz VKWFNONVAWHSCV-LJQANCHMSA-N 1 0 437.565 3.406 40 0 IGABRO CC[C@@H](C(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2)[NH+]1CCCC1 ZINC000019698597 556857136 /nfs/dbraw/zinc/85/71/36/556857136.db2.gz OLKCKPFBICJHBD-QFIPXVFZSA-N 1 0 449.599 3.140 40 0 IGABRO CC[C@H](C(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2)[NH+]1CCCC1 ZINC000019698596 556857209 /nfs/dbraw/zinc/85/72/09/556857209.db2.gz OLKCKPFBICJHBD-JOCHJYFZSA-N 1 0 449.599 3.140 40 0 IGABRO COc1cccc(CCCNc2nc(C3CC[NH+](C)CC3)nc3c2CN(C(C)=O)CC3)c1 ZINC000019710462 556873441 /nfs/dbraw/zinc/87/34/41/556873441.db2.gz OMKDDDSZLDGIHA-UHFFFAOYSA-N 1 0 437.588 3.244 40 0 IGABRO Cc1ccc([C@H](O)C[N@H+]2CC=C(c3nc4c(c(N5CCOCC5)n3)CCCC4)CC2)cc1 ZINC000072339511 556911731 /nfs/dbraw/zinc/91/17/31/556911731.db2.gz IARWLSTXCFSPNO-XMMPIXPASA-N 1 0 434.584 3.323 40 0 IGABRO COC(=O)[C@]1(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340265 556912142 /nfs/dbraw/zinc/91/21/42/556912142.db2.gz UHLYUMFZFNWZRR-MUNBIWSKSA-N 1 0 426.557 3.046 40 0 IGABRO COc1ccc([C@@H]2[C@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409056478 556934259 /nfs/dbraw/zinc/93/42/59/556934259.db2.gz RKNUALYCZDGZGX-LMOLPZMTSA-O 1 0 432.475 3.159 40 0 IGABRO Cc1ccc([C@H]2[C@@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(N(C)C)cc2)cc1 ZINC000409057267 556934641 /nfs/dbraw/zinc/93/46/41/556934641.db2.gz KBZGDKLZWJPFLR-RPWUZVMVSA-O 1 0 427.528 3.077 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3)C(=O)N/[N+]2=C\c2cccc(OC)c2)cc1 ZINC000409057594 556934792 /nfs/dbraw/zinc/93/47/92/556934792.db2.gz HMTFYECBWDGRKM-LEMNDLQOSA-O 1 0 444.511 3.028 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000409057688 556934942 /nfs/dbraw/zinc/93/49/42/556934942.db2.gz WASVGWJTFZHOCI-CLCXKLDUSA-O 1 0 444.511 3.110 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000409058268 556935165 /nfs/dbraw/zinc/93/51/65/556935165.db2.gz KGEZFHMTIYYXCA-WXUIRWOTSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)cc1 ZINC000409058952 556936379 /nfs/dbraw/zinc/93/63/79/556936379.db2.gz ZYOPOTDHDXFJLO-VNGKGULCSA-O 1 0 432.475 3.159 40 0 IGABRO COc1ccc(C(=O)N[C@@H]2C(=O)N/[N+](=C\c3ccccc3Cl)[C@@H]2c2ccccc2)cc1 ZINC000409053712 556937754 /nfs/dbraw/zinc/93/77/54/556937754.db2.gz HHRQUJMFLCGFQQ-DCFWFYTKSA-O 1 0 434.903 3.365 40 0 IGABRO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000409069389 556942379 /nfs/dbraw/zinc/94/23/79/556942379.db2.gz MSCPDNTUEVFSOX-KSYIGNPDSA-O 1 0 434.903 3.365 40 0 IGABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000072373102 556945290 /nfs/dbraw/zinc/94/52/90/556945290.db2.gz WBWDNJZROYXUKM-PKTZIBPZSA-N 1 0 448.611 3.240 40 0 IGABRO CN(C)c1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1 ZINC000409072687 556946254 /nfs/dbraw/zinc/94/62/54/556946254.db2.gz RTKQCWWAWJSANY-GOTSBHOMSA-O 1 0 447.946 3.422 40 0 IGABRO Cc1cc(C[N@@H+]2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)c(C)n1C[C@H]1CCCO1 ZINC000072389583 556959651 /nfs/dbraw/zinc/95/96/51/556959651.db2.gz HVBOCUMJMIUQOW-LAUBAEHRSA-N 1 0 439.604 3.162 40 0 IGABRO C[NH+](C)C[C@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)Cc1ccccc1F ZINC000072394717 556966157 /nfs/dbraw/zinc/96/61/57/556966157.db2.gz LLJPKVOBANZNHT-VXKWHMMOSA-N 1 0 425.548 3.184 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)cc(OC)c1OC ZINC000072395321 556966695 /nfs/dbraw/zinc/96/66/95/556966695.db2.gz JMEXBZNPJGXFMV-AWEZNQCLSA-N 1 0 433.459 3.467 40 0 IGABRO Cc1cc(C[N@@H+]2CCc3nc(C4CCN(C(=O)c5ccncc5)CC4)[nH]c(=O)c3C2)cs1 ZINC000072398968 556971262 /nfs/dbraw/zinc/97/12/62/556971262.db2.gz CZCBNSLHWAWBTC-UHFFFAOYSA-N 1 0 449.580 3.113 40 0 IGABRO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])CCCCNC(=O)OCc3ccccc3)ccc12 ZINC000644163763 557093694 /nfs/dbraw/zinc/09/36/94/557093694.db2.gz ZSNXCTDQMRXAIQ-HXUWFJFHSA-N 1 0 437.496 3.464 40 0 IGABRO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000216249347 557140914 /nfs/dbraw/zinc/14/09/14/557140914.db2.gz BGTATPUVDXEKNH-OYRHEFFESA-N 1 0 449.661 3.021 40 0 IGABRO COc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=S)NCc3ccccc3)cc2c1 ZINC000006198447 557150105 /nfs/dbraw/zinc/15/01/05/557150105.db2.gz ADHVEDBWTULKNY-UHFFFAOYSA-N 1 0 438.597 3.365 40 0 IGABRO Cc1cc(NC(=O)c2ccc3nnc([C@@H]4C[N@@H+](CC5CC5)CCN4C(C)C)n3c2)ccn1 ZINC000096088398 557168884 /nfs/dbraw/zinc/16/88/84/557168884.db2.gz TUOGCNXUGQEOSA-NRFANRHFSA-N 1 0 433.560 3.162 40 0 IGABRO CC[N@@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)Nc3cccc(OC)c3)CC[C@@H]12 ZINC000096145320 557174670 /nfs/dbraw/zinc/17/46/70/557174670.db2.gz HAHYMBSSWBZQTJ-ZJSXRUAMSA-N 1 0 437.544 3.437 40 0 IGABRO Cc1nc(Cn2cc(-c3nc(C(=O)N4CCC[N@@H+](C)CC4)c4ccccn43)nc2C)cs1 ZINC000096155123 557179402 /nfs/dbraw/zinc/17/94/02/557179402.db2.gz HTGXQRJDBCCQKW-UHFFFAOYSA-N 1 0 449.584 3.097 40 0 IGABRO C[NH+](C)CCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000010111588 557204128 /nfs/dbraw/zinc/20/41/28/557204128.db2.gz LWAUTXOGMZGNNR-UHFFFAOYSA-N 1 0 437.565 3.374 40 0 IGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382068 557236774 /nfs/dbraw/zinc/23/67/74/557236774.db2.gz BYFWZYIZSOUBFE-DPZOUVDISA-N 1 0 443.469 3.251 40 0 biogenic,in-vitro IGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382654 557237133 /nfs/dbraw/zinc/23/71/33/557237133.db2.gz XKYGASBEGCVMDD-OHUMZHCVSA-N 1 0 425.479 3.112 40 0 biogenic,in-vitro IGABRO O[C@H](Cn1c2ccccc2c2cc(I)ccc21)C[NH+]1CCOCC1 ZINC000027489709 557262841 /nfs/dbraw/zinc/26/28/41/557262841.db2.gz JNRMRZFZCXXZNY-HNNXBMFYSA-N 1 0 436.293 3.092 40 0 IGABRO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1 ZINC000023471949 557315030 /nfs/dbraw/zinc/31/50/30/557315030.db2.gz GWCXLQWCXSRTEY-MRXNPFEDSA-N 1 0 437.378 3.487 40 0 IGABRO CSc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccc(C)cc2)cc1 ZINC000113933312 557379134 /nfs/dbraw/zinc/37/91/34/557379134.db2.gz MFLIQWSXDNZEPW-UHFFFAOYSA-N 1 0 447.626 3.123 40 0 IGABRO Cc1cccc(C)c1N(Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000113963232 557382730 /nfs/dbraw/zinc/38/27/30/557382730.db2.gz VKKPFYIWOMMDOO-UHFFFAOYSA-N 1 0 429.586 3.094 40 0 IGABRO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C)[NH2+][C@@]23C(=O)Nc2c3cc(Cl)cc2C)c1 ZINC000016033237 557469005 /nfs/dbraw/zinc/46/90/05/557469005.db2.gz QZVFUMCUHFVDPS-ONJZCGHCSA-N 1 0 429.904 3.450 40 0 IGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)C1 ZINC000224185908 557572509 /nfs/dbraw/zinc/57/25/09/557572509.db2.gz AOPVIVAUOCLZEP-QGZVFWFLSA-N 1 0 435.615 3.425 40 0 IGABRO CC1CC[NH+](CCCNC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)CC1 ZINC000224254866 557581610 /nfs/dbraw/zinc/58/16/10/557581610.db2.gz AMNNEIDGVFYDOS-UHFFFAOYSA-N 1 0 429.586 3.364 40 0 IGABRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1N(C)S(C)(=O)=O ZINC000224533741 557617580 /nfs/dbraw/zinc/61/75/80/557617580.db2.gz KDXCJSWKSXDXNC-UHFFFAOYSA-N 1 0 429.586 3.307 40 0 IGABRO Cc1cccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)S(C)(=O)=O)c1 ZINC000224689098 557640627 /nfs/dbraw/zinc/64/06/27/557640627.db2.gz QFGVJAUAPQIOSG-FQEVSTJZSA-N 1 0 443.613 3.452 40 0 IGABRO Cc1cc(C)c(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c(C)c1 ZINC000224784472 557651006 /nfs/dbraw/zinc/65/10/06/557651006.db2.gz MJRZWOJIXSMYCR-UHFFFAOYSA-N 1 0 443.613 3.290 40 0 IGABRO Cc1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1N1CCCC1=O ZINC000224784614 557651115 /nfs/dbraw/zinc/65/11/15/557651115.db2.gz JTLNMIWEEKTTGC-UHFFFAOYSA-N 1 0 427.570 3.196 40 0 IGABRO CS(=O)(=O)N(CCCC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1F ZINC000224797803 557652078 /nfs/dbraw/zinc/65/20/78/557652078.db2.gz PEKUPDIBVKBHSL-UHFFFAOYSA-N 1 0 447.576 3.284 40 0 IGABRO CCc1ccccc1N(CC(=O)NCc1ccccc1C[NH+]1CCCCC1)S(C)(=O)=O ZINC000224813745 557654546 /nfs/dbraw/zinc/65/45/46/557654546.db2.gz UDIBWCXGAZKVGV-UHFFFAOYSA-N 1 0 443.613 3.317 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000260837139 557860276 /nfs/dbraw/zinc/86/02/76/557860276.db2.gz DNCRMYORRMWTKF-SFHVURJKSA-N 1 0 427.586 3.143 40 0 IGABRO CC(C)(C)[C@H]1CC[C@](O)(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288114 568619480 /nfs/dbraw/zinc/61/94/80/568619480.db2.gz WLFNVRBVZIZUII-MQNAVGNWSA-N 1 0 427.532 3.374 40 0 IGABRO Fc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019332665 568624452 /nfs/dbraw/zinc/62/44/52/568624452.db2.gz FGLIEGHLOOBBOE-VXKWHMMOSA-N 1 0 428.556 3.031 40 0 IGABRO Cc1cccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)S(C)(=O)=O)c1 ZINC000260888207 568626966 /nfs/dbraw/zinc/62/69/66/568626966.db2.gz JXWGYPFCNUMTCR-LJQANCHMSA-N 1 0 429.586 3.062 40 0 IGABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000260910234 568629276 /nfs/dbraw/zinc/62/92/76/568629276.db2.gz XJNRDXLYTJZKJF-SFTDATJTSA-N 1 0 435.634 3.167 40 0 IGABRO CCc1nnc(Nc2cccc([C@@H]3CN(C(=O)CC[NH+]4CCC(C)CC4)CCO3)n2)s1 ZINC000257214223 568671777 /nfs/dbraw/zinc/67/17/77/568671777.db2.gz CLCWREXLBLQHOD-SFHVURJKSA-N 1 0 444.605 3.261 40 0 IGABRO CCn1c2ccc(NC(=O)C[N@H+]3C[C@@H]4[C@@H](Cc5ccc(C)cn5)CC[C@@H]4C3)cc2oc1=O ZINC000257224980 568676354 /nfs/dbraw/zinc/67/63/54/568676354.db2.gz FEGDRYPVNCEJEN-DBXWQHBBSA-N 1 0 434.540 3.457 40 0 IGABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2Cc1ccnc(N2CCOCC2)n1 ZINC000257249166 568688088 /nfs/dbraw/zinc/68/80/88/568688088.db2.gz JHCLSHGQHRJVHP-AMVJKZIMSA-N 1 0 447.627 3.372 40 0 IGABRO C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257299223 568710877 /nfs/dbraw/zinc/71/08/77/568710877.db2.gz RPDYSFSMRUSMGB-QFIPXVFZSA-N 1 0 447.539 3.374 40 0 IGABRO C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257316427 568718228 /nfs/dbraw/zinc/71/82/28/568718228.db2.gz VFNUEVXJBJRFKC-HSZRJFAPSA-N 1 0 447.539 3.374 40 0 IGABRO O=C1N(Cc2ccncc2)CCO[C@]12C[N@H+](Cc1cccc(F)c1)C[C@H]2c1cccnc1 ZINC000306123279 568762601 /nfs/dbraw/zinc/76/26/01/568762601.db2.gz AIZCZRLDBGEELL-ZCYQVOJMSA-N 1 0 432.499 3.013 40 0 IGABRO COc1cccc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccc2)C3=O)c1 ZINC000306128612 568765360 /nfs/dbraw/zinc/76/53/60/568765360.db2.gz HGDYZSZXUDCTPX-VPUSJEBWSA-N 1 0 443.547 3.487 40 0 IGABRO Cc1cc(C)cc(C[N@@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)c1 ZINC000306129389 568765764 /nfs/dbraw/zinc/76/57/64/568765764.db2.gz IBSSISUPRXXHKY-VPUSJEBWSA-N 1 0 442.563 3.491 40 0 IGABRO C[N@@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2 ZINC000306134252 568768260 /nfs/dbraw/zinc/76/82/60/568768260.db2.gz NHBCXDJTYQXQIX-OAQYLSRUSA-N 1 0 435.568 3.089 40 0 IGABRO CC(C)n1cnc([C@H]2C[N@H+](Cc3cccnc3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306134812 568768755 /nfs/dbraw/zinc/76/87/55/568768755.db2.gz NYQIWMYXNWKSNZ-RDGATRHJSA-N 1 0 430.556 3.272 40 0 IGABRO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]32)cc1 ZINC000306136503 568769463 /nfs/dbraw/zinc/76/94/63/568769463.db2.gz PVHPXWIFZNHELW-YADHBBJMSA-N 1 0 431.492 3.307 40 0 IGABRO O=C(NC1CCC1)c1nnc2n1C[C@H]1[N@@H+](Cc3ccoc3)CC[C@@]1(c1ccccc1)CC2 ZINC000306141269 568771892 /nfs/dbraw/zinc/77/18/92/568771892.db2.gz VQIJEBGMADOFOU-PXDATVDWSA-N 1 0 431.540 3.312 40 0 IGABRO CCn1cc(C[N@@H+]2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(Cc4cccnc4)C3=O)C2)cn1 ZINC000306143795 568773468 /nfs/dbraw/zinc/77/34/68/568773468.db2.gz YMMXJJSZLNRZDI-WIOPSUGQSA-N 1 0 447.587 3.094 40 0 IGABRO O=C1Nc2c(cccc2Cl)[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000101342876 568782102 /nfs/dbraw/zinc/78/21/02/568782102.db2.gz QXYIDKKHZBJMFP-PEOGOYOCSA-N 1 0 442.302 3.425 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccccn2)n1 ZINC000328964152 568807691 /nfs/dbraw/zinc/80/76/91/568807691.db2.gz BTMOQVSAZVSSOC-UHFFFAOYSA-N 1 0 432.450 3.388 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccccn2)n1 ZINC000328964587 568807845 /nfs/dbraw/zinc/80/78/45/568807845.db2.gz BWLAOOZSZHVQFJ-UHFFFAOYSA-N 1 0 431.313 3.001 40 0 IGABRO C[NH+](C)CCCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000328997315 568808878 /nfs/dbraw/zinc/80/88/78/568808878.db2.gz JOSQWTAWQVROBX-UHFFFAOYSA-N 1 0 432.450 3.388 40 0 IGABRO COc1ccc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)cc1C(F)(F)F ZINC000329002804 568808987 /nfs/dbraw/zinc/80/89/87/568808987.db2.gz KJHGYSIMNNQCFZ-UHFFFAOYSA-N 1 0 432.450 3.127 40 0 IGABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCN(C(=O)C[C@@H]5C=CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000247879849 569206324 /nfs/dbraw/zinc/20/63/24/569206324.db2.gz IKQQUMCOJXYOEM-QUCCMNQESA-N 1 0 448.567 3.421 40 0 IGABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000009062916 569219832 /nfs/dbraw/zinc/21/98/32/569219832.db2.gz WUHFDMZUANQVQK-UHFFFAOYSA-N 1 0 435.568 3.280 40 0 IGABRO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019369981 569226623 /nfs/dbraw/zinc/22/66/23/569226623.db2.gz BHBSLIMPKSRXNY-FCHUYYIVSA-N 1 0 434.584 3.165 40 0 IGABRO CC(=O)NCc1ccc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698783 569230161 /nfs/dbraw/zinc/23/01/61/569230161.db2.gz PDDYHLNKSUKLAF-RPWUZVMVSA-N 1 0 430.552 3.175 40 0 IGABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000019702026 569231595 /nfs/dbraw/zinc/23/15/95/569231595.db2.gz RLSUQYISAMUFDK-MRXNPFEDSA-N 1 0 436.585 3.378 40 0 IGABRO Cn1cc(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)c2ccccc21 ZINC000019702569 569232250 /nfs/dbraw/zinc/23/22/50/569232250.db2.gz QXCIUWVERZFSIF-MRXNPFEDSA-N 1 0 434.565 3.500 40 0 IGABRO Cc1nc(C2CCN(C(=O)C[NH+]3CCCCC3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763978 569238228 /nfs/dbraw/zinc/23/82/28/569238228.db2.gz JTONCUOSGROTSV-UHFFFAOYSA-N 1 0 439.535 3.368 40 0 IGABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cn1nc(C)cc1C ZINC000019763725 569238233 /nfs/dbraw/zinc/23/82/33/569238233.db2.gz CVXJILYJSPBYPH-HXUWFJFHSA-N 1 0 448.571 3.134 40 0 IGABRO Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4ccc(F)cc43)CC1)CCC[C@@H]2O ZINC000067665272 569302000 /nfs/dbraw/zinc/30/20/00/569302000.db2.gz SVATZOFABXGUAB-IBGZPJMESA-N 1 0 426.492 3.081 40 0 in-vitro IGABRO Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)n21 ZINC000002947976 569426992 /nfs/dbraw/zinc/42/69/92/569426992.db2.gz ODRNBRDWNINMKX-LJQANCHMSA-N 1 0 443.551 3.299 40 0 IGABRO Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218609663 569458761 /nfs/dbraw/zinc/45/87/61/569458761.db2.gz PZNWUMMNDSWCMW-VIZSFHNOSA-N 1 0 430.570 3.465 40 0 IGABRO CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624009 569458822 /nfs/dbraw/zinc/45/88/22/569458822.db2.gz NHXYXGLVSUDYEB-LNLFQRSKSA-N 1 0 428.337 3.441 40 0 IGABRO CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218624081 569458829 /nfs/dbraw/zinc/45/88/29/569458829.db2.gz NHXYXGLVSUDYEB-JENIJYKNSA-N 1 0 428.337 3.441 40 0 IGABRO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000242648340 569462060 /nfs/dbraw/zinc/46/20/60/569462060.db2.gz QSZSISYOCBVXGG-TXTKFYIRSA-N 1 0 430.570 3.411 40 0 IGABRO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000242648341 569462093 /nfs/dbraw/zinc/46/20/93/569462093.db2.gz QSZSISYOCBVXGG-ZRCGQRJVSA-N 1 0 430.570 3.411 40 0 IGABRO Cn1nc(-c2ccccc2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2 ZINC000008635325 569469528 /nfs/dbraw/zinc/46/95/28/569469528.db2.gz NCGBVLQPZRZGSN-TYPHKJRUSA-N 1 0 444.535 3.424 40 0 biogenic,in-vitro IGABRO O=S(=O)(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000008635724 291363931 /nfs/dbraw/zinc/36/39/31/291363931.db2.gz GJZKYBUJSXBBEE-QKNQBKEWSA-N 1 0 446.016 3.391 40 0 biogenic,in-vitro IGABRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000008955515 556236519 /nfs/dbraw/zinc/23/65/19/556236519.db2.gz VGEBQTXHXAHOKY-CTNGQTDRSA-N 1 0 447.560 3.491 40 0 IGABRO COc1cc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccs4)n3)C2)cc(OC)c1OC ZINC000012085367 556399072 /nfs/dbraw/zinc/39/90/72/556399072.db2.gz KIGKGCMFWIBDLT-HNNXBMFYSA-N 1 0 429.546 3.340 40 0 IGABRO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462955 556537789 /nfs/dbraw/zinc/53/77/89/556537789.db2.gz WJRZIDPWFGYNCP-UHFFFAOYSA-N 1 0 441.597 3.305 40 0 IGABRO C[NH+](C)CCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000013670486 556551308 /nfs/dbraw/zinc/55/13/08/556551308.db2.gz VKQPTAGYCVBNNJ-UHFFFAOYSA-N 1 0 444.384 3.257 40 0 IGABRO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013671714 556552338 /nfs/dbraw/zinc/55/23/38/556552338.db2.gz CNKGHYFVSLUTLZ-UHFFFAOYSA-N 1 0 435.634 3.412 40 0 IGABRO CCc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000044874016 556673642 /nfs/dbraw/zinc/67/36/42/556673642.db2.gz YKGFHDKYQHMPHH-UHFFFAOYSA-N 1 0 443.613 3.317 40 0 IGABRO Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](CC2CCCCC2)CC3)on1 ZINC000019119907 556700852 /nfs/dbraw/zinc/70/08/52/556700852.db2.gz TVEUTDQWWDQFIG-HXUWFJFHSA-N 1 0 439.560 3.372 40 0 IGABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](CC(=O)NCc2cccc3c2OCO3)CC1 ZINC000257315610 556703932 /nfs/dbraw/zinc/70/39/32/556703932.db2.gz VCDIEMSLTUYMIH-XMMPIXPASA-N 1 0 444.503 3.121 40 0 IGABRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1C ZINC000019214316 556711376 /nfs/dbraw/zinc/71/13/76/556711376.db2.gz WRMFSOHPFLHOTQ-OAQYLSRUSA-N 1 0 444.601 3.069 40 0 IGABRO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CCN2C)c1 ZINC000257266782 556713316 /nfs/dbraw/zinc/71/33/16/556713316.db2.gz MENAMWWKJAKDGR-XMMPIXPASA-N 1 0 448.611 3.164 40 0 IGABRO C[N@@H+]1CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257285893 556715552 /nfs/dbraw/zinc/71/55/52/556715552.db2.gz PJISSXWQJMJLOH-FQEVSTJZSA-N 1 0 426.524 3.062 40 0 IGABRO COc1cc(C[NH+]2CCC(O)(c3cccc(C)c3)CC2)ccc1OCCN1CCOCC1 ZINC000019234517 556718841 /nfs/dbraw/zinc/71/88/41/556718841.db2.gz HXDLWVPPBBWHAU-UHFFFAOYSA-N 1 0 440.584 3.198 40 0 IGABRO Cc1ccsc1C[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 ZINC000019238689 556724064 /nfs/dbraw/zinc/72/40/64/556724064.db2.gz UYUBFIYIBCKXGX-LJQANCHMSA-N 1 0 435.553 3.070 40 0 IGABRO Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCC(C)CC3)[nH]c(=O)c2C1 ZINC000019239483 556725080 /nfs/dbraw/zinc/72/50/80/556725080.db2.gz JWKSJSCJWBHAFU-QRFVXNFXSA-N 1 0 435.572 3.387 40 0 IGABRO Cc1ncc(C[N@H+]2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(-c4cccs4)ccc2=O)C3)cn1 ZINC000019287177 556728256 /nfs/dbraw/zinc/72/82/56/556728256.db2.gz GAYPYLZHWLSNEH-LIMIJEPZSA-N 1 0 437.569 3.018 40 0 IGABRO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccsc4)C3)[nH]c(=O)c2C1 ZINC000019342789 556740665 /nfs/dbraw/zinc/74/06/65/556740665.db2.gz ZIXMTVYFDBEUMQ-INIZCTEOSA-N 1 0 440.594 3.471 40 0 IGABRO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019343449 556741002 /nfs/dbraw/zinc/74/10/02/556741002.db2.gz BYBAZTMNGCTDQH-OAHLLOKOSA-N 1 0 440.594 3.471 40 0 IGABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000019345583 556742577 /nfs/dbraw/zinc/74/25/77/556742577.db2.gz OBRJYOPZUJSJTN-RBUKOAKNSA-N 1 0 431.916 3.495 40 0 IGABRO O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019401216 556753521 /nfs/dbraw/zinc/75/35/21/556753521.db2.gz VAYHYYXWHDCFJF-JOCHJYFZSA-N 1 0 435.572 3.010 40 0 IGABRO CCC(=O)Nc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(OC)ccc2O3)cc1 ZINC000019499329 556771099 /nfs/dbraw/zinc/77/10/99/556771099.db2.gz PCTXDFPXCDUXCF-VXKWHMMOSA-N 1 0 440.540 3.428 40 0 IGABRO Cc1c(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@@H+](C2CCCCC2)C3)cnn1C ZINC000019553345 556797330 /nfs/dbraw/zinc/79/73/30/556797330.db2.gz CFLVDXMIPGADPX-NRFANRHFSA-N 1 0 438.576 3.282 40 0 IGABRO Cc1nn(CC(=O)NC2CC[NH+](Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c(C)c1C ZINC000019556605 556799291 /nfs/dbraw/zinc/79/92/91/556799291.db2.gz QGXDJGAOYJYDTR-UHFFFAOYSA-N 1 0 438.551 3.129 40 0 IGABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)C[C@H]4C=CCC4)C3)[nH]c(=O)c2C1 ZINC000019570599 556810678 /nfs/dbraw/zinc/81/06/78/556810678.db2.gz HUGXMROWVOQRKB-ICSRJNTNSA-N 1 0 448.567 3.421 40 0 IGABRO COc1ccccc1CC(=O)N1CCCC[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]21 ZINC000019583524 556820745 /nfs/dbraw/zinc/82/07/45/556820745.db2.gz OXRXNBMCZKAWHJ-BJKOFHAPSA-N 1 0 449.595 3.453 40 0 IGABRO COc1cc2c(cc1C[NH2+]CCc1cc(N(C)C)nc(-c3ccccn3)n1)OCCCO2 ZINC000019584305 556821558 /nfs/dbraw/zinc/82/15/58/556821558.db2.gz AEYAJTXZQSFIPG-UHFFFAOYSA-N 1 0 435.528 3.107 40 0 IGABRO COc1ccc(CN2CCCc3c(C)nc([C@@H]4CCCN(C(=O)C[NH+](C)C)C4)nc32)cc1 ZINC000019706540 556864726 /nfs/dbraw/zinc/86/47/26/556864726.db2.gz JAVXCLQMGYKTFW-HXUWFJFHSA-N 1 0 437.588 3.014 40 0 IGABRO Cc1nc([C@H]2CCCN2C(=O)C[NH+]2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019740634 556881221 /nfs/dbraw/zinc/88/12/21/556881221.db2.gz VNTQJSYWQOPLBY-OAQYLSRUSA-N 1 0 439.604 3.404 40 0 IGABRO O=C(Cn1cccc(C(=O)NC2CCCCC2)c1=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000019750693 556894835 /nfs/dbraw/zinc/89/48/35/556894835.db2.gz OTEMTOULYNIZOQ-UHFFFAOYSA-N 1 0 436.556 3.145 40 0 IGABRO O=C(NCCO)c1cc([C@H]2CC[N@H+](Cc3cccc4ncccc34)C2)nc2ccccc21 ZINC000019761887 556905612 /nfs/dbraw/zinc/90/56/12/556905612.db2.gz TZMQUIACHNHAFS-IBGZPJMESA-N 1 0 426.520 3.495 40 0 IGABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCC[N@H+](Cc4ccccn4)C3)nc2C)c1 ZINC000019763424 556908154 /nfs/dbraw/zinc/90/81/54/556908154.db2.gz RJEHJEBZAUCDKG-FQEVSTJZSA-N 1 0 431.540 3.498 40 0 IGABRO C=C1[NH+]=C(SCC(=O)Nc2nnc(CC)s2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408986667 556909682 /nfs/dbraw/zinc/90/96/82/556909682.db2.gz CUAKXYXEYQTESX-KRWDZBQOSA-N 1 0 445.570 3.310 40 0 IGABRO COC(=O)[C@]1(CC(=O)N2[C@H](C)CCC[C@H]2C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC000072340245 556912289 /nfs/dbraw/zinc/91/22/89/556912289.db2.gz JDOCYYZOHHZWOL-OVTMVEJHSA-N 1 0 426.557 3.331 40 0 IGABRO COc1ccc(C[NH+]2CCC(n3nc(-c4c(C)nn(C)c4C)ccc3=O)CC2)cc1OC ZINC000072342843 556914652 /nfs/dbraw/zinc/91/46/52/556914652.db2.gz GEXKFBKZBANXKA-UHFFFAOYSA-N 1 0 437.544 3.115 40 0 IGABRO CCS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3cccc(OC)c3)CC2)o1 ZINC000072344897 556915804 /nfs/dbraw/zinc/91/58/04/556915804.db2.gz ITFOSTHPFHGVTL-HXUWFJFHSA-N 1 0 448.589 3.335 40 0 IGABRO CCCOc1ccc([C@H]2[NH+]=C(N3CCc4ccccc4C3)NC(O)=C2C(=O)OCC)cc1 ZINC000019817749 556920408 /nfs/dbraw/zinc/92/04/08/556920408.db2.gz SWQPSSZBTXBSRR-FCHUYYIVSA-N 1 0 435.524 3.240 40 0 IGABRO CCCOc1ccc([C@@H]2[NH+]=C(N3CCc4ccccc4C3)NC(O)=C2C(=O)OCC)cc1 ZINC000019817743 556920613 /nfs/dbraw/zinc/92/06/13/556920613.db2.gz SWQPSSZBTXBSRR-YADHBBJMSA-N 1 0 435.524 3.240 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000409053433 556931771 /nfs/dbraw/zinc/93/17/71/556931771.db2.gz KBBNTXANBGMEOX-YCAYNYMGSA-O 1 0 428.512 3.410 40 0 IGABRO CCOc1ccc(/C=[N+]2\NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000409055967 556933639 /nfs/dbraw/zinc/93/36/39/556933639.db2.gz LVDWCUXVNKJAJC-GPENZSBISA-O 1 0 432.475 3.241 40 0 IGABRO COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)C(=O)N/[N+]2=C\c2ccc(C)cc2)cc1 ZINC000409056483 556934154 /nfs/dbraw/zinc/93/41/54/556934154.db2.gz RKNUALYCZDGZGX-VNGKGULCSA-O 1 0 432.475 3.159 40 0 IGABRO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370557 556935421 /nfs/dbraw/zinc/93/54/21/556935421.db2.gz PHUZZIDTSLXDMG-GOSISDBHSA-N 1 0 426.586 3.263 40 0 IGABRO COc1ccc(/C=[N+]2\NC(=O)[C@H](NC(=O)c3cccc(C)c3)[C@H]2c2ccc(C)cc2)cc1 ZINC000409054720 556938321 /nfs/dbraw/zinc/93/83/21/556938321.db2.gz NMPDOWXODPLIRY-LEMNDLQOSA-O 1 0 428.512 3.328 40 0 IGABRO COCc1nnc(NC(=O)C2(Cc3cccc([C@@H]4CCC[N@H+](C)C4)c3)CCOCC2)s1 ZINC000072372218 556941879 /nfs/dbraw/zinc/94/18/79/556941879.db2.gz IZYWVNFQKRCJTB-LJQANCHMSA-N 1 0 444.601 3.472 40 0 IGABRO COc1ccccc1[C@H](CNc1cc(Cn2ncc3ccccc3c2=O)nc(C)n1)[NH+](C)C ZINC000072373358 556946654 /nfs/dbraw/zinc/94/66/54/556946654.db2.gz FYVMXCXEXSSLDO-QFIPXVFZSA-N 1 0 444.539 3.267 40 0 IGABRO COc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(NC4CC[NH+](C)CC4)n[nH]c3n2)c1 ZINC000072374491 556948240 /nfs/dbraw/zinc/94/82/40/556948240.db2.gz LRQSRCUTVVZBIJ-NRFANRHFSA-N 1 0 434.544 3.450 40 0 IGABRO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2cc(Nc3ncccn3)cc(C)[nH+]2)C1 ZINC000072375032 556950584 /nfs/dbraw/zinc/95/05/84/556950584.db2.gz QZLRGHSBBGNFRD-INIZCTEOSA-N 1 0 428.518 3.097 40 0 IGABRO COc1ccc(C(=O)CCC[N@@H+]2CCCC[C@H]3CN(c4ncnc5nc[nH]c54)C[C@H]32)cc1 ZINC000072399192 556971835 /nfs/dbraw/zinc/97/18/35/556971835.db2.gz CAAGSLCAKCSMJP-AZUAARDMSA-N 1 0 434.544 3.315 40 0 IGABRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 ZINC000257262777 556989602 /nfs/dbraw/zinc/98/96/02/556989602.db2.gz LMWGXQPXGYDXCI-IFMALSPDSA-N 1 0 426.605 3.330 40 0 IGABRO COc1cccc2cc(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@H+](CCC(C)C)C[C@@H]34)oc21 ZINC000585106000 557039244 /nfs/dbraw/zinc/03/92/44/557039244.db2.gz CADGDRSSOWJTQI-MOPGFXCFSA-N 1 0 439.556 3.140 40 0 IGABRO Cc1noc(C)c1C(=O)NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@H+]12 ZINC000585110212 557043388 /nfs/dbraw/zinc/04/33/88/557043388.db2.gz XPRDSBVEBBUICZ-RTWAWAEBSA-N 1 0 445.523 3.110 40 0 IGABRO CCN1CC[C@@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)CC2CCCC2)CC3)C1=O ZINC000096144400 557172506 /nfs/dbraw/zinc/17/25/06/557172506.db2.gz RSWJSAOFUUQRNH-AREMUKBSSA-N 1 0 438.616 3.325 40 0 IGABRO CCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC23CCN(C(=O)c2ccccc2C)CC3)C1=O ZINC000096262812 557190381 /nfs/dbraw/zinc/19/03/81/557190381.db2.gz WSORJLRYIPNOAX-MHZLTWQESA-N 1 0 446.595 3.367 40 0 IGABRO Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCCC[N@@H+]4CCO)CC3)n2)s1 ZINC000585262679 557202952 /nfs/dbraw/zinc/20/29/52/557202952.db2.gz SFOFXDFXCWCXMU-IBGZPJMESA-N 1 0 429.590 3.143 40 0 IGABRO Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218609578 557210011 /nfs/dbraw/zinc/21/00/11/557210011.db2.gz PZNWUMMNDSWCMW-JTAQYXEDSA-N 1 0 430.570 3.465 40 0 IGABRO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)cc1 ZINC000010450194 557221880 /nfs/dbraw/zinc/22/18/80/557221880.db2.gz ZZBYEESARAVNTO-UHFFFAOYSA-N 1 0 447.626 3.449 40 0 IGABRO OC1(COc2ccccc2F)CC[NH+](CC2(O)CCN(c3ccc(F)cc3)CC2)CC1 ZINC000585283109 557222512 /nfs/dbraw/zinc/22/25/12/557222512.db2.gz PUGKPYVPFZNRDK-UHFFFAOYSA-N 1 0 432.511 3.202 40 0 IGABRO O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000585283912 557223431 /nfs/dbraw/zinc/22/34/31/557223431.db2.gz IQVASUOEDNLKMZ-AZUAARDMSA-N 1 0 442.865 3.087 40 0 IGABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccccc2F)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382406 557237069 /nfs/dbraw/zinc/23/70/69/557237069.db2.gz QZYVRJIVZQTLLN-DAVBRLECSA-N 1 0 425.479 3.112 40 0 biogenic,in-vitro IGABRO CC[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773638 557265699 /nfs/dbraw/zinc/26/56/99/557265699.db2.gz NMUPNGJJXVESJB-OIBXWCBGSA-N 1 0 437.584 3.111 40 0 IGABRO [NH3+][C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3cncnc3)n2)CC1 ZINC000100708804 557270744 /nfs/dbraw/zinc/27/07/44/557270744.db2.gz QRKHCLUXEGXIEH-UEXGIBASSA-N 1 0 449.534 3.109 40 0 IGABRO CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+](C)C)cc1 ZINC000223277697 557454953 /nfs/dbraw/zinc/45/49/53/557454953.db2.gz ZPFQLUSQSGSXOS-DHIUTWEWSA-N 1 0 434.613 3.472 40 0 IGABRO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000019527912 557501741 /nfs/dbraw/zinc/50/17/41/557501741.db2.gz FFTCNWCQNMOBQA-QHCPKHFHSA-N 1 0 449.603 3.364 40 0 IGABRO CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000224158878 557568215 /nfs/dbraw/zinc/56/82/15/557568215.db2.gz QFEKJCJLRTWADX-UHFFFAOYSA-N 1 0 433.549 3.257 40 0 IGABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)C1 ZINC000224180173 557571742 /nfs/dbraw/zinc/57/17/42/557571742.db2.gz IRNVURGTCHKHQH-LJQANCHMSA-N 1 0 429.586 3.364 40 0 IGABRO CC(C)c1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000224505038 557613972 /nfs/dbraw/zinc/61/39/72/557613972.db2.gz GYKXIGKSTFXHNI-UHFFFAOYSA-N 1 0 443.613 3.488 40 0 IGABRO CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1F ZINC000224512655 557614839 /nfs/dbraw/zinc/61/48/39/557614839.db2.gz JUENZMZRRRCDSU-UHFFFAOYSA-N 1 0 447.576 3.284 40 0 IGABRO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O ZINC000224529319 557617085 /nfs/dbraw/zinc/61/70/85/557617085.db2.gz RIULHBBYPRBKQX-SFHVURJKSA-N 1 0 447.576 3.283 40 0 IGABRO Cn1c2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2sc1=O ZINC000224540236 557618610 /nfs/dbraw/zinc/61/86/10/557618610.db2.gz WGXKQSGQYRFMCV-UHFFFAOYSA-N 1 0 431.583 3.064 40 0 IGABRO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000224631024 557633533 /nfs/dbraw/zinc/63/35/33/557633533.db2.gz PIYKINZLNIHLGN-HSZRJFAPSA-N 1 0 443.613 3.452 40 0 IGABRO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224665557 557638125 /nfs/dbraw/zinc/63/81/25/557638125.db2.gz PFXKSTIBHLNFRV-UHFFFAOYSA-N 1 0 429.586 3.388 40 0 IGABRO CSc1cccc(N(CC(=O)NCc2ccccc2C[NH+]2CCCC2)S(C)(=O)=O)c1 ZINC000224793571 557651926 /nfs/dbraw/zinc/65/19/26/557651926.db2.gz ZWALOQIUZBZILJ-UHFFFAOYSA-N 1 0 447.626 3.087 40 0 IGABRO COC(=O)c1cc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc(C(=O)OC)c1 ZINC000225230922 557702801 /nfs/dbraw/zinc/70/28/01/557702801.db2.gz ZBKNUUBGFAEQCA-UHFFFAOYSA-N 1 0 447.582 3.272 40 0 IGABRO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000225648304 557756584 /nfs/dbraw/zinc/75/65/84/557756584.db2.gz ACYXLMNPDYFEEE-GHTZIAJQSA-N 1 0 439.622 3.011 40 0 IGABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccc5F)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000061997527 557829737 /nfs/dbraw/zinc/82/97/37/557829737.db2.gz DLPGSFRECXFFPX-QRPYMDLRSA-N 1 0 428.548 3.233 40 0 IGABRO CN1CN(c2ccccc2)C2(CC[NH+](CCCC3(c4cccs4)OCCO3)CC2)C1=O ZINC000001641843 562923526 /nfs/dbraw/zinc/92/35/26/562923526.db2.gz LHEALNCPBFTZHK-UHFFFAOYSA-N 1 0 441.597 3.499 40 0 IGABRO CCc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(C)(=O)=O)cc1 ZINC000260890591 568627624 /nfs/dbraw/zinc/62/76/24/568627624.db2.gz PQVWHDYXZQVIOZ-LJQANCHMSA-N 1 0 443.613 3.316 40 0 IGABRO COc1ccc(OC)c(C[N@@H+]2CC[C@@H](c3nc(C)c(CC(=O)NC(C)C)c(C)n3)C2)c1 ZINC000257218756 568673620 /nfs/dbraw/zinc/67/36/20/568673620.db2.gz DEICLGXFSSRBJN-GOSISDBHSA-N 1 0 426.561 3.167 40 0 IGABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)C[C@H]2CCCC[N@@H+]2C)C1 ZINC000257223457 568675588 /nfs/dbraw/zinc/67/55/88/568675588.db2.gz DXLHWIRWAQYGSP-LEWJYISDSA-N 1 0 437.588 3.262 40 0 IGABRO c1cn2nc(C[C@@H]3COCC[N@@H+](Cc4cccc(OCc5ccccn5)c4)C3)ccc2n1 ZINC000257237735 568682837 /nfs/dbraw/zinc/68/28/37/568682837.db2.gz HHXLSHQKIOAEGP-NRFANRHFSA-N 1 0 429.524 3.394 40 0 IGABRO O=C(Nc1ccc2nccnc2c1)[C@H]1CN(Cc2cccc(Oc3ncccn3)c2)CCO1 ZINC000257296215 568709547 /nfs/dbraw/zinc/70/95/47/568709547.db2.gz RBTBTSAOCSDPQK-JOCHJYFZSA-N 1 0 442.479 3.052 40 0 IGABRO CC(C)[C@@H]1C[C@@]2(CCCN2C(=O)C[NH+]2CCC(C(N)=O)CC2)CO[C@H]1c1ccc(F)cc1 ZINC000257316717 568718148 /nfs/dbraw/zinc/71/81/48/568718148.db2.gz VGRMQKWILCRGML-RSEQLOHWSA-N 1 0 445.579 3.118 40 0 IGABRO COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[N@@H+]1CCC[C@@](C(N)=O)(c2ccccn2)C1 ZINC000257336136 568726853 /nfs/dbraw/zinc/72/68/53/568726853.db2.gz YNIZSWZXDKYGBX-SANMLTNESA-N 1 0 448.567 3.138 40 0 IGABRO CC[NH+](CC)CCNC(=O)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 ZINC000306124287 568763228 /nfs/dbraw/zinc/76/32/28/568763228.db2.gz BLUSJBZIPXGGCP-NRFANRHFSA-N 1 0 433.556 3.383 40 0 IGABRO COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccncc3)CC2)C1 ZINC000306131396 568766618 /nfs/dbraw/zinc/76/66/18/568766618.db2.gz KDFWXIRPHOYOSC-UHFFFAOYSA-N 1 0 436.491 3.053 40 0 IGABRO CC[NH+](CC)CCCNC(=O)c1nc(-c2ccnn2-c2cccc(OC)c2)n2ccncc12 ZINC000306133780 568768159 /nfs/dbraw/zinc/76/81/59/568768159.db2.gz MVZOOBRBSJIMRW-UHFFFAOYSA-N 1 0 447.543 3.052 40 0 IGABRO COc1ccc(CN2CCO[C@]3(C[N@H+](Cc4ccco4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306136624 568769484 /nfs/dbraw/zinc/76/94/84/568769484.db2.gz PYSHDTWZUCEROF-NOZRDPDXSA-N 1 0 433.508 3.080 40 0 IGABRO COc1ccc(CN2CCO[C@@]3(C[N@H+](Cc4ccco4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306136625 568769510 /nfs/dbraw/zinc/76/95/10/568769510.db2.gz PYSHDTWZUCEROF-UKILVPOCSA-N 1 0 433.508 3.080 40 0 IGABRO CC(C)n1cnc([C@@H]2C[N@H+](Cc3ccccn3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306136779 568769665 /nfs/dbraw/zinc/76/96/65/568769665.db2.gz QCWKVVJTHYKBJW-WIOPSUGQSA-N 1 0 430.556 3.272 40 0 IGABRO CCc1ccc(C[N@@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306137485 568770171 /nfs/dbraw/zinc/77/01/71/568770171.db2.gz QXMUHQAWHPXKMZ-XNMGPUDCSA-N 1 0 442.563 3.436 40 0 IGABRO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]2C3)cc1 ZINC000306138392 568770434 /nfs/dbraw/zinc/77/04/34/568770434.db2.gz RWKGAAYJFGYWED-IRXDYDNUSA-N 1 0 437.931 3.497 40 0 IGABRO Cc1cccc(C[N@@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306139779 568771346 /nfs/dbraw/zinc/77/13/46/568771346.db2.gz UAIIENFLMILDFB-AZGAKELHSA-N 1 0 428.536 3.182 40 0 IGABRO O=C(NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccc4c(c3)CCC4)C2)O1)C1CC(F)(F)C1 ZINC000306140734 568771738 /nfs/dbraw/zinc/77/17/38/568771738.db2.gz VCKLOHKJURQAPL-FYYLOGMGSA-N 1 0 434.527 3.087 40 0 IGABRO Cc1cccc(C[NH+]2CCC3(CC2)Cc2nnc(C(=O)NC(C)C)n2-c2ccccc2O3)n1 ZINC000306141188 568771824 /nfs/dbraw/zinc/77/18/24/568771824.db2.gz VNZZBVKELYRDBN-UHFFFAOYSA-N 1 0 446.555 3.079 40 0 IGABRO C[NH+](C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(-c2ccncc2)n1 ZINC000328994485 568808862 /nfs/dbraw/zinc/80/88/62/568808862.db2.gz JEMLVVWAMDPHNV-UHFFFAOYSA-N 1 0 431.313 3.001 40 0 IGABRO Cc1ccc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)c(Br)c1 ZINC000329010297 568809305 /nfs/dbraw/zinc/80/93/05/568809305.db2.gz MAOYFGQDBHFUHB-UHFFFAOYSA-N 1 0 427.350 3.170 40 0 IGABRO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccn2)nc(NCC[NH+](C)C)n1 ZINC000329067979 568810915 /nfs/dbraw/zinc/81/09/15/568810915.db2.gz YLKPQQZDGQJWPI-UHFFFAOYSA-N 1 0 441.377 3.479 40 0 IGABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c(C)c1C ZINC000247891090 569206380 /nfs/dbraw/zinc/20/63/80/569206380.db2.gz VNBRLJQQUNOKSN-DRMXPCRNSA-N 1 0 427.545 3.239 40 0 IGABRO CC[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000248122113 569207161 /nfs/dbraw/zinc/20/71/61/569207161.db2.gz NMUPNGJJXVESJB-WWPVKYPJSA-N 1 0 437.584 3.111 40 0 IGABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCC2)c2ccccc2F)cc1 ZINC000010277680 569222052 /nfs/dbraw/zinc/22/20/52/569222052.db2.gz JMGDPQMGXHOWNY-UHFFFAOYSA-N 1 0 447.576 3.322 40 0 IGABRO C[C@@]12CC[N@H+](Cc3cnc(N4CCOCC4)nc3)[C@@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713406 569235642 /nfs/dbraw/zinc/23/56/42/569235642.db2.gz XZFRZMFFJOESFW-ZEQKJWHPSA-N 1 0 449.599 3.249 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(F)c3)[C@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000252517064 569288361 /nfs/dbraw/zinc/28/83/61/569288361.db2.gz ZFRBBAVBSOTKFN-JQVVWYNYSA-N 1 0 434.533 3.296 40 0 IGABRO CNc1nc(C2CCN(C(=O)[C@@H](C)Cc3cccc(Cl)c3)CC2)nc2c1CC[NH2+]C2 ZINC000019710914 569327486 /nfs/dbraw/zinc/32/74/86/569327486.db2.gz RFDPINKNULDLEI-HNNXBMFYSA-N 1 0 427.980 3.402 40 0 IGABRO CCn1c(C[N@@H+]2CC[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)nc2ccccc21 ZINC000019761419 569328693 /nfs/dbraw/zinc/32/86/93/569328693.db2.gz YWLHSEHZWKRWPM-SFHVURJKSA-N 1 0 443.551 3.316 40 0 IGABRO Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218658139 569458963 /nfs/dbraw/zinc/45/89/63/569458963.db2.gz XNGNUZWPYJRASA-WOIUINJBSA-N 1 0 434.533 3.296 40 0 IGABRO CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(C[NH3+])NC(=O)OC(C)(C)C)cc1 ZINC000218647743 569459012 /nfs/dbraw/zinc/45/90/12/569459012.db2.gz QSZSISYOCBVXGG-MZKRTTBSSA-N 1 0 430.570 3.411 40 0 IGABRO