smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000004237512 291277133 /nfs/dbraw/zinc/27/71/33/291277133.db2.gz HDYKYSGPLUKROO-JTHBVZDNSA-N 1 1 414.549 4.576 40 0 biogenic,in-vitro HJABMO CCCOc1ccccc1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044851575 520475465 /nfs/dbraw/zinc/47/54/65/520475465.db2.gz STOZYGMIZDUBAA-JOCHJYFZSA-N 1 1 412.549 4.576 40 0 HJABMO CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1OCC ZINC000044905668 521222207 /nfs/dbraw/zinc/22/22/07/521222207.db2.gz DSPGRHOYKSOWPS-QGZVFWFLSA-N 1 1 407.514 4.528 40 0 HJABMO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044852979 525436211 /nfs/dbraw/zinc/43/62/11/525436211.db2.gz JGRIOVAOKKKOIR-NRFANRHFSA-N 1 1 414.549 4.751 40 0 HJABMO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044855361 526174255 /nfs/dbraw/zinc/17/42/55/526174255.db2.gz DXYWFGYPDCIKGT-KNQAVFIVSA-N 1 1 410.533 4.765 40 0 HJABMO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044933036 527040241 /nfs/dbraw/zinc/04/02/41/527040241.db2.gz ONCXJDCTTPHSQZ-QFIPXVFZSA-N 1 1 400.925 4.885 40 0 HJABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)CC1 ZINC000408578572 557472549 /nfs/dbraw/zinc/47/25/49/557472549.db2.gz YWBDSUDYFJHOEN-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO O=C(C[NH+]1CCCCCC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408581011 557486016 /nfs/dbraw/zinc/48/60/16/557486016.db2.gz FYQPKRCCPUCFTL-UHFFFAOYSA-N 1 1 411.571 4.694 40 0 HJABMO CC(C)NC(=O)c1cc([C@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)nc2ccccc21 ZINC000019762839 558277423 /nfs/dbraw/zinc/27/74/23/558277423.db2.gz HFXIYMNIJCJWHQ-FQEVSTJZSA-N 1 1 424.548 4.911 40 0 HJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000019931980 558310500 /nfs/dbraw/zinc/31/05/00/558310500.db2.gz JBNBTTDQVAZZLP-INIZCTEOSA-N 1 1 403.419 4.997 40 0 HJABMO CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020106868 558333744 /nfs/dbraw/zinc/33/37/44/558333744.db2.gz DDBZKAQAZOEGFK-IBGZPJMESA-N 1 1 407.558 4.701 40 0 HJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000020456353 558370016 /nfs/dbraw/zinc/37/00/16/558370016.db2.gz ALWIYSNEHWUGAI-UHFFFAOYSA-N 1 1 403.910 4.523 40 0 HJABMO COc1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000021004191 558428439 /nfs/dbraw/zinc/42/84/39/558428439.db2.gz MPQFXJAEVRIPIR-UHFFFAOYSA-N 1 1 414.549 4.562 40 0 HJABMO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039744918 558686847 /nfs/dbraw/zinc/68/68/47/558686847.db2.gz XFWSIQSRXCTGHC-UHFFFAOYSA-N 1 1 411.304 4.992 40 0 HJABMO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000030852430 558740470 /nfs/dbraw/zinc/74/04/70/558740470.db2.gz YDUHZLNRXHKYBT-IBGZPJMESA-N 1 1 400.522 4.745 40 0 HJABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 ZINC000030871770 558743530 /nfs/dbraw/zinc/74/35/30/558743530.db2.gz FNRDRWJYHHWXPD-SZPZYZBQSA-N 1 1 419.613 4.737 40 0 HJABMO COC(=O)c1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1Cl ZINC000030938940 558745171 /nfs/dbraw/zinc/74/51/71/558745171.db2.gz PTFUYECESIJHAI-HNNXBMFYSA-N 1 1 400.906 4.611 40 0 HJABMO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000030946135 558746541 /nfs/dbraw/zinc/74/65/41/558746541.db2.gz APJWMNQQCCPSOV-UHFFFAOYSA-N 1 1 421.368 4.873 40 0 HJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)C1 ZINC000038771354 558815136 /nfs/dbraw/zinc/81/51/36/558815136.db2.gz GSIIWJQYTMALEW-FQEVSTJZSA-N 1 1 419.569 4.797 40 0 HJABMO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038834767 558817785 /nfs/dbraw/zinc/81/77/85/558817785.db2.gz SHBAGILJAGAORU-CQSZACIVSA-N 1 1 423.340 4.861 40 0 HJABMO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038834767 558817786 /nfs/dbraw/zinc/81/77/86/558817786.db2.gz SHBAGILJAGAORU-CQSZACIVSA-N 1 1 423.340 4.861 40 0 HJABMO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038852217 558819087 /nfs/dbraw/zinc/81/90/87/558819087.db2.gz NZKDFNQQGZVQII-UHFFFAOYSA-N 1 1 403.419 4.853 40 0 HJABMO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038857659 558819534 /nfs/dbraw/zinc/81/95/34/558819534.db2.gz QXCNGPVVSYFIIF-MRXNPFEDSA-N 1 1 420.340 4.803 40 0 HJABMO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038857659 558819535 /nfs/dbraw/zinc/81/95/35/558819535.db2.gz QXCNGPVVSYFIIF-MRXNPFEDSA-N 1 1 420.340 4.803 40 0 HJABMO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)on1 ZINC000019120766 558843043 /nfs/dbraw/zinc/84/30/43/558843043.db2.gz JQFMAJPPJDUKPS-AWEZNQCLSA-N 1 1 408.449 4.900 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019236841 558856081 /nfs/dbraw/zinc/85/60/81/558856081.db2.gz VCDXCLFDGWAWMW-OFVILXPXSA-N 1 1 417.528 4.912 40 0 HJABMO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019293418 558865155 /nfs/dbraw/zinc/86/51/55/558865155.db2.gz IQMCPJDUWAOXCQ-ACRUOGEOSA-N 1 1 400.975 4.628 40 0 HJABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019400635 558883182 /nfs/dbraw/zinc/88/31/82/558883182.db2.gz GVMOOXRARZPCAJ-PXDATVDWSA-N 1 1 409.549 4.871 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000019400641 558883210 /nfs/dbraw/zinc/88/32/10/558883210.db2.gz OTUMIUCTZRIJTC-HYBUGGRVSA-N 1 1 421.491 4.743 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)C1CCCC1 ZINC000019400688 558883386 /nfs/dbraw/zinc/88/33/86/558883386.db2.gz PGZHCWHVWAKBRQ-WMZHIEFXSA-N 1 1 413.512 4.620 40 0 HJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+](Cc4ccncc4C)C3)cc2N1 ZINC000019500876 558898730 /nfs/dbraw/zinc/89/87/30/558898730.db2.gz RWCYJNURQPBREZ-LMMKCTJWSA-N 1 1 407.484 4.664 40 0 HJABMO CCOCc1cc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)ccc1OC ZINC000019531151 558911698 /nfs/dbraw/zinc/91/16/98/558911698.db2.gz RISKNNNYXWHBJL-HXUWFJFHSA-N 1 1 410.518 4.645 40 0 HJABMO CCOCc1cc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)ccc1OC ZINC000019531151 558911702 /nfs/dbraw/zinc/91/17/02/558911702.db2.gz RISKNNNYXWHBJL-HXUWFJFHSA-N 1 1 410.518 4.645 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000072330406 558934537 /nfs/dbraw/zinc/93/45/37/558934537.db2.gz LUQCUPUKHROZKV-GCJKJVERSA-N 1 1 409.530 4.666 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)C1CCCC1 ZINC000072330398 558934574 /nfs/dbraw/zinc/93/45/74/558934574.db2.gz PGZHCWHVWAKBRQ-XXBNENTESA-N 1 1 413.512 4.620 40 0 HJABMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350009 558946940 /nfs/dbraw/zinc/94/69/40/558946940.db2.gz GQQNKFGUTANESO-QGZVFWFLSA-N 1 1 400.448 4.881 40 0 HJABMO Cc1ccccc1OCC[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000072352318 558948617 /nfs/dbraw/zinc/94/86/17/558948617.db2.gz IJBLUPGTLKHKGL-SFHVURJKSA-N 1 1 408.567 4.780 40 0 HJABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)c2cc3c(cccc3C)[nH]2)[nH+]1 ZINC000072372630 558960329 /nfs/dbraw/zinc/96/03/29/558960329.db2.gz GHCXGULNEKFNDG-JOCHJYFZSA-N 1 1 412.497 4.691 40 0 HJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cc(Nc3cnccn3)cc(C)n1)CCC2 ZINC000072372634 558960394 /nfs/dbraw/zinc/96/03/94/558960394.db2.gz FWHNUIHPXDVLFJ-QHCPKHFHSA-N 1 1 415.541 4.758 40 0 HJABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cc(Nc3cnccn3)cc(C)n1)CCC2 ZINC000072372634 558960395 /nfs/dbraw/zinc/96/03/95/558960395.db2.gz FWHNUIHPXDVLFJ-QHCPKHFHSA-N 1 1 415.541 4.758 40 0 HJABMO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019694312 558962791 /nfs/dbraw/zinc/96/27/91/558962791.db2.gz RAEJGAAWBANBCX-OAQYLSRUSA-N 1 1 424.980 4.632 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)c1C ZINC000072374959 558963272 /nfs/dbraw/zinc/96/32/72/558963272.db2.gz JNLSJIFELVHCRY-FQEVSTJZSA-N 1 1 404.562 4.741 40 0 HJABMO Cc1nc([C@H]2CCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695979 558964272 /nfs/dbraw/zinc/96/42/72/558964272.db2.gz DVBCTQCXUJULHE-HSZRJFAPSA-N 1 1 418.585 4.777 40 0 HJABMO CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@H+](C)C[C@H](C)c2ccccc2)C1 ZINC000072395274 558974027 /nfs/dbraw/zinc/97/40/27/558974027.db2.gz PKBNUEFQKBVAND-GHTZIAJQSA-N 1 1 404.558 4.524 40 0 HJABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccccc2F)C1 ZINC000096071328 559094398 /nfs/dbraw/zinc/09/43/98/559094398.db2.gz MNSAMNRYRMNDDJ-HSZRJFAPSA-N 1 1 400.925 4.679 40 0 HJABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@H+]2CCCc2ccccc2)C1 ZINC000096214558 559101755 /nfs/dbraw/zinc/10/17/55/559101755.db2.gz UMKXCOGKKPVWFP-RUZDIDTESA-N 1 1 410.989 4.972 40 0 HJABMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH+]c(N3CCCCC3)cc2C)cc1 ZINC000072219258 559169696 /nfs/dbraw/zinc/16/96/96/559169696.db2.gz MLMXFDYHVDIWPF-JOCHJYFZSA-N 1 1 413.587 4.605 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 ZINC000072359718 559186225 /nfs/dbraw/zinc/18/62/25/559186225.db2.gz TWLKATWOGCRISI-JOCHJYFZSA-N 1 1 400.526 4.790 40 0 HJABMO C[C@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(CO)[C@@H]12 ZINC000118936395 559206621 /nfs/dbraw/zinc/20/66/21/559206621.db2.gz NMFWDNZLNHRNAT-YVOQUZMQSA-N 1 1 413.646 4.627 40 0 HJABMO OCc1ccccc1C[N@@H+](Cc1ccccc1)Cc1cccc(OC[C@H]2CCCO2)c1 ZINC000257339334 559283487 /nfs/dbraw/zinc/28/34/87/559283487.db2.gz ZBHAIMAPXREVAP-HHHXNRCGSA-N 1 1 417.549 4.939 40 0 HJABMO COc1ccc(-c2[nH+]c3cc(C)ccn3c2NCc2ccc3c(c2)OCO3)cc1OC ZINC000004848441 560610124 /nfs/dbraw/zinc/61/01/24/560610124.db2.gz MIAJTKWBDYHTNZ-UHFFFAOYSA-N 1 1 417.465 4.668 40 0 HJABMO CCN(CC)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000022075580 568473921 /nfs/dbraw/zinc/47/39/21/568473921.db2.gz RDBCEWKSCQWTRN-UHFFFAOYSA-N 1 1 409.343 4.599 40 0 HJABMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 ZINC000057776098 568497549 /nfs/dbraw/zinc/49/75/49/568497549.db2.gz RYRHRYSOOYIWDJ-SFHVURJKSA-N 1 1 411.977 4.785 40 0 HJABMO O=C(NCCOc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223569240 568551911 /nfs/dbraw/zinc/55/19/11/568551911.db2.gz GMGKOWBAJZEUGX-OAQYLSRUSA-N 1 1 422.956 4.900 40 0 HJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)C1 ZINC000223618916 568553531 /nfs/dbraw/zinc/55/35/31/568553531.db2.gz PYERJSVMLWECIU-FQEVSTJZSA-N 1 1 402.538 4.881 40 0 HJABMO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000224095108 568569552 /nfs/dbraw/zinc/56/95/52/568569552.db2.gz POWUZEKWGUFENP-UHFFFAOYSA-N 1 1 418.940 4.503 40 0 HJABMO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224542732 568584424 /nfs/dbraw/zinc/58/44/24/568584424.db2.gz ROVMPASDYFIXKM-UHFFFAOYSA-N 1 1 409.332 4.703 40 0 HJABMO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000224545839 568584533 /nfs/dbraw/zinc/58/45/33/568584533.db2.gz DFDRPPUWLHSZHI-UHFFFAOYSA-N 1 1 407.341 4.991 40 0 HJABMO O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000225194887 568621816 /nfs/dbraw/zinc/62/18/16/568621816.db2.gz OWTVLWBCEZFDGX-KRWDZBQOSA-N 1 1 412.946 4.709 40 0 HJABMO S=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)Nc1ccc2sncc2c1 ZINC000225214497 568623816 /nfs/dbraw/zinc/62/38/16/568623816.db2.gz MUACHDZUZOHERT-UHFFFAOYSA-N 1 1 413.959 4.896 40 0 HJABMO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225576130 568653328 /nfs/dbraw/zinc/65/33/28/568653328.db2.gz QNOYWXDTXSIWJX-UHFFFAOYSA-N 1 1 406.954 4.600 40 0 HJABMO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225672233 568662697 /nfs/dbraw/zinc/66/26/97/568662697.db2.gz BWGUMYLBEUQVIQ-YDIMBITNSA-N 1 1 402.579 4.577 40 0 HJABMO CCCO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225672262 568662746 /nfs/dbraw/zinc/66/27/46/568662746.db2.gz BWGUMYLBEUQVIQ-GLDPYIMESA-N 1 1 402.579 4.577 40 0 HJABMO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000225789521 568674898 /nfs/dbraw/zinc/67/48/98/568674898.db2.gz SMHLIYNVGNEWLL-UHFFFAOYSA-N 1 1 402.941 4.829 40 0 HJABMO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225901040 568684554 /nfs/dbraw/zinc/68/45/54/568684554.db2.gz ABWVONLBYQGXMU-SJLPKXTDSA-N 1 1 413.359 4.639 40 0 HJABMO CCn1cc(C[NH+]2CCC(c3cc(Nc4cccc(C)n4)cc(C)n3)CC2)c(C)n1 ZINC000257207965 568778423 /nfs/dbraw/zinc/77/84/23/568778423.db2.gz BKBVOPGFNBPBIE-UHFFFAOYSA-N 1 1 404.562 4.741 40 0 HJABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc[nH+]c(NCc3ccccc3)n1)C2 ZINC000329066298 568975584 /nfs/dbraw/zinc/97/55/84/568975584.db2.gz XZHRQYFCZYCELZ-UHFFFAOYSA-N 1 1 400.404 4.550 40 0 HJABMO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000524731861 569291529 /nfs/dbraw/zinc/29/15/29/569291529.db2.gz MUMOMJJBRFKSKD-QOKUDNMUSA-N 1 1 409.961 4.857 40 0 HJABMO Cc1ccc(-c2nc(Nc3ccccc3)s[n+]2CS(=O)(=O)c2ccccc2)cc1 ZINC000001232273 569322059 /nfs/dbraw/zinc/32/20/59/569322059.db2.gz HYCVODOHHKIKGO-UHFFFAOYSA-O 1 1 422.555 4.581 40 0 HJABMO COC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1C ZINC000008330653 569340038 /nfs/dbraw/zinc/34/00/38/569340038.db2.gz QASGEQQIYOCEKA-UHFFFAOYSA-N 1 1 414.505 4.592 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000012183388 569344637 /nfs/dbraw/zinc/34/46/37/569344637.db2.gz UXJCZIUQOCKKTN-YLJYHZDGSA-N 1 1 419.541 4.681 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000012183388 569344638 /nfs/dbraw/zinc/34/46/38/569344638.db2.gz UXJCZIUQOCKKTN-YLJYHZDGSA-N 1 1 419.541 4.681 40 0 HJABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019450856 569345486 /nfs/dbraw/zinc/34/54/86/569345486.db2.gz YQXYCXVLJBZQTO-ZJSXRUAMSA-N 1 1 423.601 4.984 40 0 HJABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000019738741 569348577 /nfs/dbraw/zinc/34/85/77/569348577.db2.gz REARGFREOMOAEP-HSZRJFAPSA-N 1 1 420.594 4.932 40 0 HJABMO Clc1ccc(C[NH2+]Cc2c(Cl)nc3ccccc3c2N2CCOCC2)cc1 ZINC000019375989 132467234 /nfs/dbraw/zinc/46/72/34/132467234.db2.gz BCUZGSCXQYZSHN-UHFFFAOYSA-N 1 1 402.325 4.668 40 0 HJABMO CCOC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ccc1Cl ZINC000044939615 521440504 /nfs/dbraw/zinc/44/05/04/521440504.db2.gz SLENRXJESSPNFU-INIZCTEOSA-N 1 1 418.896 4.507 40 0 HJABMO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044855362 526173772 /nfs/dbraw/zinc/17/37/72/526173772.db2.gz DXYWFGYPDCIKGT-DENIHFKCSA-N 1 1 410.533 4.765 40 0 HJABMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000019586521 536481822 /nfs/dbraw/zinc/48/18/22/536481822.db2.gz IFWGEOSMPBRJOL-RUZDIDTESA-N 1 1 418.512 4.584 40 0 HJABMO CC[NH+]1CCN(C(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)CC1 ZINC000408574640 557478443 /nfs/dbraw/zinc/47/84/43/557478443.db2.gz MDJQFSYPOZKIBH-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO COc1ccccc1C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000035289826 557673007 /nfs/dbraw/zinc/67/30/07/557673007.db2.gz KWPSSTUSOWDMBM-JCONFUPYSA-N 1 1 422.613 4.913 40 0 HJABMO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834539 558817638 /nfs/dbraw/zinc/81/76/38/558817638.db2.gz FRYXFGGHXAESLZ-UHFFFAOYSA-N 1 1 421.324 4.631 40 0 HJABMO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)on1 ZINC000019120794 558843080 /nfs/dbraw/zinc/84/30/80/558843080.db2.gz AHGFYMMTQYXKFE-AWEZNQCLSA-N 1 1 408.449 4.900 40 0 HJABMO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019133479 558845763 /nfs/dbraw/zinc/84/57/63/558845763.db2.gz RUKBHXIDJAUGSL-LSBZLQRGSA-N 1 1 408.468 4.845 40 0 HJABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019133479 558845765 /nfs/dbraw/zinc/84/57/65/558845765.db2.gz RUKBHXIDJAUGSL-LSBZLQRGSA-N 1 1 408.468 4.845 40 0 HJABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019236819 558855864 /nfs/dbraw/zinc/85/58/64/558855864.db2.gz CYNZVDQDPCZVBW-PXDATVDWSA-N 1 1 417.528 4.912 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019236824 558855902 /nfs/dbraw/zinc/85/59/02/558855902.db2.gz MHGQPPKWKXRZQY-BWKNWUBXSA-N 1 1 417.528 4.912 40 0 HJABMO Cc1cnccc1C[N@H+]1CCC[C@@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019239513 558858081 /nfs/dbraw/zinc/85/80/81/558858081.db2.gz HQGVALUAZOPNKE-QRVBRYPASA-N 1 1 417.548 4.787 40 0 HJABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1cccn1 ZINC000057797092 558890454 /nfs/dbraw/zinc/89/04/54/558890454.db2.gz FCQAKQNNFASGGW-UHFFFAOYSA-N 1 1 412.537 4.846 40 0 HJABMO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c(C)n1 ZINC000019524556 558905751 /nfs/dbraw/zinc/90/57/51/558905751.db2.gz LGSFLWFAZSPAKA-HXUWFJFHSA-N 1 1 408.502 4.712 40 0 HJABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c(C)n1 ZINC000019524556 558905753 /nfs/dbraw/zinc/90/57/53/558905753.db2.gz LGSFLWFAZSPAKA-HXUWFJFHSA-N 1 1 408.502 4.712 40 0 HJABMO COc1cccc(-c2ccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)cc2)c1 ZINC000019566638 558926315 /nfs/dbraw/zinc/92/63/15/558926315.db2.gz FJFCQFQKWNMMHL-VKSRLUHHSA-N 1 1 414.549 4.877 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000072330411 558934582 /nfs/dbraw/zinc/93/45/82/558934582.db2.gz KRJQTASYDODNQU-XXBNENTESA-N 1 1 421.566 4.535 40 0 HJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072330460 558934846 /nfs/dbraw/zinc/93/48/46/558934846.db2.gz RUFPBGWSYMMBBG-GJZUVCINSA-N 1 1 417.528 4.533 40 0 HJABMO CN(C)c1cc([C@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 ZINC000019584594 558938603 /nfs/dbraw/zinc/93/86/03/558938603.db2.gz BPEPDYVHJXPJJY-NRFANRHFSA-N 1 1 424.552 4.532 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000072341436 558939716 /nfs/dbraw/zinc/93/97/16/558939716.db2.gz JUNUIEZXUONSIU-CTNGQTDRSA-N 1 1 409.530 4.666 40 0 HJABMO Cn1ccnc1C[NH+]1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072350024 558946971 /nfs/dbraw/zinc/94/69/71/558946971.db2.gz IWNIMRKAXGXOHY-UHFFFAOYSA-N 1 1 414.475 4.804 40 0 HJABMO CC(=O)NCc1cnc([C@H]2CCC[N@H+]2CCCc2ccccc2)cc1C(F)(F)F ZINC000072356138 558952990 /nfs/dbraw/zinc/95/29/90/558952990.db2.gz BNDXCMNTFQPYKJ-OAQYLSRUSA-N 1 1 405.464 4.506 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000019690308 558959567 /nfs/dbraw/zinc/95/95/67/558959567.db2.gz ZTJMPQXKZLCCCE-HXUWFJFHSA-N 1 1 414.475 4.804 40 0 HJABMO Cn1nccc1C[N@H+]1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019690290 558959611 /nfs/dbraw/zinc/95/96/11/558959611.db2.gz VXRFISBFLUQLCQ-LJQANCHMSA-N 1 1 414.475 4.804 40 0 HJABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c(C)n1 ZINC000072372460 558959872 /nfs/dbraw/zinc/95/98/72/558959872.db2.gz XWVQNJFULJLGNT-RUZDIDTESA-N 1 1 404.558 4.851 40 0 HJABMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000072373153 558960838 /nfs/dbraw/zinc/96/08/38/558960838.db2.gz NIGFCWPBZVFLLQ-OFNKIYASSA-N 1 1 409.574 4.738 40 0 HJABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)cn1 ZINC000585261838 559109543 /nfs/dbraw/zinc/10/95/43/559109543.db2.gz VGAVYXJTUKBZBU-RUZDIDTESA-N 1 1 415.537 4.730 40 0 HJABMO Cc1cc(C)cc(-c2cccc(CC3(C(=O)N[C@H]4CCC[N@H+](C)C4)CCOCC3)c2)c1 ZINC000257202996 559282478 /nfs/dbraw/zinc/28/24/78/559282478.db2.gz AOESKDGMSPQFTI-VWLOTQADSA-N 1 1 420.597 4.520 40 0 HJABMO CC(C)(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514289881 560031419 /nfs/dbraw/zinc/03/14/19/560031419.db2.gz PQOJWYDJWSGHQJ-SXWKCWPCSA-N 1 1 418.578 4.620 40 0 biogenic,in-vitro HJABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000005218911 568442787 /nfs/dbraw/zinc/44/27/87/568442787.db2.gz ARYCMISIZKOYJP-PMVMPFDFSA-N 1 1 416.924 4.786 40 0 HJABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000005218911 568442788 /nfs/dbraw/zinc/44/27/88/568442788.db2.gz ARYCMISIZKOYJP-PMVMPFDFSA-N 1 1 416.924 4.786 40 0 HJABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000005219358 568442795 /nfs/dbraw/zinc/44/27/95/568442795.db2.gz MKTCJRDZURCFKV-ZSQFBXSQSA-N 1 1 422.569 4.619 40 0 HJABMO O=C(NCCc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223414369 568547964 /nfs/dbraw/zinc/54/79/64/568547964.db2.gz LLXZOQUTYMSECZ-UHFFFAOYSA-N 1 1 404.941 4.871 40 0 HJABMO O=C(NCCOc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223569308 568551944 /nfs/dbraw/zinc/55/19/44/568551944.db2.gz GMGKOWBAJZEUGX-NRFANRHFSA-N 1 1 422.956 4.900 40 0 HJABMO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540727 568584267 /nfs/dbraw/zinc/58/42/67/568584267.db2.gz RNDVGFVLIHDLSG-UHFFFAOYSA-N 1 1 409.332 4.703 40 0 HJABMO COCc1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000224543815 568584438 /nfs/dbraw/zinc/58/44/38/568584438.db2.gz VQDWXXHAWAUYOU-UHFFFAOYSA-N 1 1 407.341 4.991 40 0 HJABMO O=C(NC12CC3CC(CC(C3)C1)C2)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584192 568654472 /nfs/dbraw/zinc/65/44/72/568654472.db2.gz NDOYUIVJPPMLBK-UHFFFAOYSA-N 1 1 404.957 4.776 40 0 HJABMO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225672845 568662726 /nfs/dbraw/zinc/66/27/26/568662726.db2.gz LNRVPQDYNMRIBY-NTKDMRAZSA-N 1 1 402.579 4.721 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCCC1 ZINC000225709578 568666507 /nfs/dbraw/zinc/66/65/07/568666507.db2.gz YXSZOVVFSRZCMZ-HXUWFJFHSA-N 1 1 402.579 4.865 40 0 HJABMO O=C([C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCOc2ccccc21 ZINC000225910257 568685453 /nfs/dbraw/zinc/68/54/53/568685453.db2.gz AVCDVOAQPRBERA-HNNXBMFYSA-N 1 1 405.325 4.631 40 0 HJABMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCOc2ccccc21 ZINC000225910257 568685455 /nfs/dbraw/zinc/68/54/55/568685455.db2.gz AVCDVOAQPRBERA-HNNXBMFYSA-N 1 1 405.325 4.631 40 0 HJABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000257214137 568780271 /nfs/dbraw/zinc/78/02/71/568780271.db2.gz CKSANHZVASLLBH-QGZVFWFLSA-N 1 1 401.938 4.770 40 0 HJABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N1C[C@@H]2[C@@H](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC000257216246 568780880 /nfs/dbraw/zinc/78/08/80/568780880.db2.gz CTRUHKHKYZZNJH-QFZWGZQFSA-N 1 1 417.528 4.720 40 0 HJABMO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)[nH]n1 ZINC000257248600 568789991 /nfs/dbraw/zinc/78/99/91/568789991.db2.gz JEJHSKXBPKFBPZ-TYUWDEHNSA-N 1 1 420.601 4.622 40 0 HJABMO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)n[nH]1 ZINC000257248600 568789992 /nfs/dbraw/zinc/78/99/92/568789992.db2.gz JEJHSKXBPKFBPZ-TYUWDEHNSA-N 1 1 420.601 4.622 40 0 HJABMO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)n[nH]1 ZINC000257248600 568789994 /nfs/dbraw/zinc/78/99/94/568789994.db2.gz JEJHSKXBPKFBPZ-TYUWDEHNSA-N 1 1 420.601 4.622 40 0 HJABMO Fc1ccc(Cc2cccc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257261128 568793040 /nfs/dbraw/zinc/79/30/40/568793040.db2.gz LFVBEOCDJHYGJR-SANMLTNESA-N 1 1 413.496 4.933 40 0 HJABMO Fc1ccc(Cc2cccc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257261128 568793042 /nfs/dbraw/zinc/79/30/42/568793042.db2.gz LFVBEOCDJHYGJR-SANMLTNESA-N 1 1 413.496 4.933 40 0 HJABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009063659 569342409 /nfs/dbraw/zinc/34/24/09/569342409.db2.gz ITYRCEDYAVYABW-UHFFFAOYSA-N 1 1 418.896 4.507 40 0 HJABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019450858 569345489 /nfs/dbraw/zinc/34/54/89/569345489.db2.gz YQXYCXVLJBZQTO-XUZZJYLKSA-N 1 1 423.601 4.984 40 0 HJABMO COc1cccc(-c2ccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)nc2)c1 ZINC000019693658 569346512 /nfs/dbraw/zinc/34/65/12/569346512.db2.gz HXOGNUALQJIWSJ-SANMLTNESA-N 1 1 411.505 4.879 40 0 HJABMO COc1cccc(-c2ccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)nc2)c1 ZINC000019693658 569346513 /nfs/dbraw/zinc/34/65/13/569346513.db2.gz HXOGNUALQJIWSJ-SANMLTNESA-N 1 1 411.505 4.879 40 0 HJABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1CCOc1ccccc1Cl ZINC000019738679 569348544 /nfs/dbraw/zinc/34/85/44/569348544.db2.gz AXHNANPYVGKBRU-JOCHJYFZSA-N 1 1 421.006 4.810 40 0 HJABMO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)c2ccccc12 ZINC000015674359 291277392 /nfs/dbraw/zinc/27/73/92/291277392.db2.gz AFBHWOAHGKRBHJ-KNQAVFIVSA-N 1 1 415.493 4.515 40 0 biogenic,in-vitro HJABMO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)c2ccccc12 ZINC000015674359 291277393 /nfs/dbraw/zinc/27/73/93/291277393.db2.gz AFBHWOAHGKRBHJ-KNQAVFIVSA-N 1 1 415.493 4.515 40 0 biogenic,in-vitro HJABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCOCC4)C=C3C)[nH]c2c1 ZINC000077262146 291277801 /nfs/dbraw/zinc/27/78/01/291277801.db2.gz FYGAUIAPKRTUJC-IPJJNNNSSA-N 1 1 411.590 4.737 40 0 biogenic,in-vitro HJABMO CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044916455 519778953 /nfs/dbraw/zinc/77/89/53/519778953.db2.gz SLMZOWVSDVZZCP-QFIPXVFZSA-N 1 1 412.549 4.574 40 0 HJABMO CC(C)Oc1cccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000044882684 519783098 /nfs/dbraw/zinc/78/30/98/519783098.db2.gz XNSOHZHCFGWQLW-UHFFFAOYSA-N 1 1 414.549 4.962 40 0 HJABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936371 522669913 /nfs/dbraw/zinc/66/99/13/522669913.db2.gz NIIUHZXZVSTRNF-JOCHJYFZSA-N 1 1 418.940 4.967 40 0 HJABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044908891 525418287 /nfs/dbraw/zinc/41/82/87/525418287.db2.gz VMTQITXHZRHUEX-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044852977 525430116 /nfs/dbraw/zinc/43/01/16/525430116.db2.gz JGRIOVAOKKKOIR-OAQYLSRUSA-N 1 1 414.549 4.751 40 0 HJABMO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855211 526205749 /nfs/dbraw/zinc/20/57/49/526205749.db2.gz FEHJMIGOEQMILR-DENIHFKCSA-N 1 1 410.533 4.765 40 0 HJABMO COc1ccc([C@H]2c3cc4c(cc3O[C@@]3([NH+]5CCCC5)CCC[C@H]23)OCO4)c(OC)c1 ZINC000005554764 557661549 /nfs/dbraw/zinc/66/15/49/557661549.db2.gz NYLWYKVNXOZERE-NGXZDTIWSA-N 1 1 423.509 4.549 40 0 HJABMO Nc1ncnc2nc([C@@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743217 558263771 /nfs/dbraw/zinc/26/37/71/558263771.db2.gz OWKGSBIENCYALF-CYBMUJFWSA-N 1 1 421.854 4.659 40 0 HJABMO COc1cccc(CNC(=O)c2cnc([C@@H]3CCCC[N@H+]3C3CCCCC3)nc2C)c1 ZINC000019754008 558273298 /nfs/dbraw/zinc/27/32/98/558273298.db2.gz IMLZWJFFYOEKKQ-QHCPKHFHSA-N 1 1 422.573 4.583 40 0 HJABMO Cc1nc(NCc2ccccc2F)cc(CC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)[nH+]1 ZINC000019758915 558275365 /nfs/dbraw/zinc/27/53/65/558275365.db2.gz SUJKQLNVUWDRCY-NRFANRHFSA-N 1 1 422.548 4.508 40 0 HJABMO O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013687600 558570590 /nfs/dbraw/zinc/57/05/90/558570590.db2.gz IMWKADVQYWCKRO-UHFFFAOYSA-N 1 1 420.940 4.877 40 0 HJABMO O=C(NC12CC3CC(CC(C3)C1)C2)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039773301 558686631 /nfs/dbraw/zinc/68/66/31/558686631.db2.gz RLFYNGHXEQPVPS-UHFFFAOYSA-N 1 1 404.957 4.776 40 0 HJABMO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039743060 558686938 /nfs/dbraw/zinc/68/69/38/558686938.db2.gz BFVMRCVUDYRXEM-UHFFFAOYSA-N 1 1 420.981 4.908 40 0 HJABMO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000030852423 558740445 /nfs/dbraw/zinc/74/04/45/558740445.db2.gz YDUHZLNRXHKYBT-LJQANCHMSA-N 1 1 400.522 4.745 40 0 HJABMO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038835143 558817936 /nfs/dbraw/zinc/81/79/36/558817936.db2.gz OGAGLSWSEVYACT-UHFFFAOYSA-N 1 1 421.324 4.631 40 0 HJABMO O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038836878 558818083 /nfs/dbraw/zinc/81/80/83/558818083.db2.gz SRNSUDAEPCHPEO-QGZVFWFLSA-N 1 1 406.954 4.600 40 0 HJABMO Cc1cccc(CSCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000038851588 558818865 /nfs/dbraw/zinc/81/88/65/558818865.db2.gz MQGFDYITRAHEDE-OAQYLSRUSA-N 1 1 417.018 4.910 40 0 HJABMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000019081725 558839746 /nfs/dbraw/zinc/83/97/46/558839746.db2.gz NIGFCWPBZVFLLQ-NZQKXSOJSA-N 1 1 409.574 4.738 40 0 HJABMO COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CC[N@@H+](Cc4cccs4)C[C@@H]32)c1 ZINC000019081660 558839752 /nfs/dbraw/zinc/83/97/52/558839752.db2.gz PIVCBYUEJJWUMR-YPAWHYETSA-N 1 1 412.599 4.619 40 0 HJABMO COc1ccc(-c2ncc(C[NH2+][C@H](Cc3ccsc3)c3ccc(C)cn3)cn2)cc1 ZINC000019215634 558850109 /nfs/dbraw/zinc/85/01/09/558850109.db2.gz SPYAVLKHOOBYKD-HSZRJFAPSA-N 1 1 416.550 4.991 40 0 HJABMO Cc1ccccc1C[N@H+](Cc1ccccc1OCC(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019237141 558856470 /nfs/dbraw/zinc/85/64/70/558856470.db2.gz KIVUNEOSUOEXKW-UHFFFAOYSA-N 1 1 424.585 4.770 40 0 HJABMO Cc1ccccc1C[N@@H+](Cc1ccccc1OCC(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019237141 558856472 /nfs/dbraw/zinc/85/64/72/558856472.db2.gz KIVUNEOSUOEXKW-UHFFFAOYSA-N 1 1 424.585 4.770 40 0 HJABMO Cc1ncc(C[N@@H+]2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019287223 558860884 /nfs/dbraw/zinc/86/08/84/558860884.db2.gz MVKZBCHETYPALL-OAHLLOKOSA-N 1 1 419.451 4.843 40 0 HJABMO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349213 558874946 /nfs/dbraw/zinc/87/49/46/558874946.db2.gz YPKKYOIQCDURHM-ZJOUEHCJSA-N 1 1 400.975 4.628 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000019400469 558883075 /nfs/dbraw/zinc/88/30/75/558883075.db2.gz QOWLDWRIHCBQLS-XZDHIHRUSA-N 1 1 407.533 4.760 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449568 558888001 /nfs/dbraw/zinc/88/80/01/558888001.db2.gz WXRSGCCTDRYSMQ-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+](Cc4ccncc4C)C3)cc2N1 ZINC000019500877 558898737 /nfs/dbraw/zinc/89/87/37/558898737.db2.gz RWCYJNURQPBREZ-AOIWGVFYSA-N 1 1 407.484 4.664 40 0 HJABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019522017 558903233 /nfs/dbraw/zinc/90/32/33/558903233.db2.gz XUTPVSYHSFFMKW-CQSZACIVSA-N 1 1 404.436 4.887 40 0 HJABMO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2ccccc2Cl)c1C ZINC000019558592 558920351 /nfs/dbraw/zinc/92/03/51/558920351.db2.gz BIDZRIWSCFEHPF-LJQANCHMSA-N 1 1 411.937 4.805 40 0 HJABMO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2ccccc2Cl)c1C ZINC000019558592 558920354 /nfs/dbraw/zinc/92/03/54/558920354.db2.gz BIDZRIWSCFEHPF-LJQANCHMSA-N 1 1 411.937 4.805 40 0 HJABMO COc1cc2c(cc1C[NH2+][C@@H](Cc1cccs1)c1nc(C)c(C)s1)OCO2 ZINC000019559627 558920925 /nfs/dbraw/zinc/92/09/25/558920925.db2.gz WRJQEDVZVLWWLE-INIZCTEOSA-N 1 1 402.541 4.632 40 0 HJABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000019568873 558927948 /nfs/dbraw/zinc/92/79/48/558927948.db2.gz PXKLTANHUDJYHZ-ZDUSSCGKSA-N 1 1 421.467 4.950 40 0 HJABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019568969 558928042 /nfs/dbraw/zinc/92/80/42/558928042.db2.gz NCCGPZKAXYQFCC-WMZHIEFXSA-N 1 1 421.566 4.535 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568895 558928047 /nfs/dbraw/zinc/92/80/47/558928047.db2.gz JUQSXCZCBFQKIE-OAHLLOKOSA-N 1 1 405.420 4.938 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccs1 ZINC000072330404 558934509 /nfs/dbraw/zinc/93/45/09/558934509.db2.gz FICZDQUATVLFHZ-AVRDEDQJSA-N 1 1 409.530 4.666 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000072330407 558934556 /nfs/dbraw/zinc/93/45/56/558934556.db2.gz LUQCUPUKHROZKV-AVRDEDQJSA-N 1 1 409.530 4.666 40 0 HJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cn(C)nc3C)no2)cc1OC ZINC000019583849 558938120 /nfs/dbraw/zinc/93/81/20/558938120.db2.gz RMLZIUMENWASPC-HXUWFJFHSA-N 1 1 410.518 4.518 40 0 HJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cn(C)nc3C)no2)cc1OC ZINC000019583849 558938123 /nfs/dbraw/zinc/93/81/23/558938123.db2.gz RMLZIUMENWASPC-HXUWFJFHSA-N 1 1 410.518 4.518 40 0 HJABMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359139 558954755 /nfs/dbraw/zinc/95/47/55/558954755.db2.gz ONLLJUOVVKTTIK-KRWDZBQOSA-N 1 1 415.463 4.758 40 0 HJABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359139 558954757 /nfs/dbraw/zinc/95/47/57/558954757.db2.gz ONLLJUOVVKTTIK-KRWDZBQOSA-N 1 1 415.463 4.758 40 0 HJABMO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCC[C@@H]1c1cc(-c2cnc(N)nc2)cc(C)n1 ZINC000019690966 558960463 /nfs/dbraw/zinc/96/04/63/558960463.db2.gz FZDWAVUWWJSURD-HSZRJFAPSA-N 1 1 416.504 4.695 40 0 HJABMO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019694311 558962721 /nfs/dbraw/zinc/96/27/21/558962721.db2.gz RAEJGAAWBANBCX-NRFANRHFSA-N 1 1 424.980 4.632 40 0 HJABMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@H]3c3ccc(C(N)=O)c(C)n3)c2)cc1 ZINC000019711145 558973497 /nfs/dbraw/zinc/97/34/97/558973497.db2.gz AQPJOVNHMACDRM-DEOSSOPVSA-N 1 1 401.510 4.502 40 0 HJABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000072398592 558975946 /nfs/dbraw/zinc/97/59/46/558975946.db2.gz DNRLMGSKDNJJNY-URXFXBBRSA-N 1 1 423.601 4.984 40 0 HJABMO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1)C1CCCC1 ZINC000072399246 558976901 /nfs/dbraw/zinc/97/69/01/558976901.db2.gz RYPPUBRNTDJGSZ-HSZRJFAPSA-N 1 1 413.512 4.620 40 0 HJABMO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100699 559024247 /nfs/dbraw/zinc/02/42/47/559024247.db2.gz UAELQSIFZORRLI-XMMPIXPASA-N 1 1 416.487 4.694 40 0 HJABMO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000585270094 559116315 /nfs/dbraw/zinc/11/63/15/559116315.db2.gz DXBQVEBDQVGMKV-OAQYLSRUSA-N 1 1 420.340 4.666 40 0 HJABMO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000585270094 559116316 /nfs/dbraw/zinc/11/63/16/559116316.db2.gz DXBQVEBDQVGMKV-OAQYLSRUSA-N 1 1 420.340 4.666 40 0 HJABMO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000585270094 559116317 /nfs/dbraw/zinc/11/63/17/559116317.db2.gz DXBQVEBDQVGMKV-OAQYLSRUSA-N 1 1 420.340 4.666 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290348 559122937 /nfs/dbraw/zinc/12/29/37/559122937.db2.gz QMFQXSKBKDHHGD-HNNXBMFYSA-N 1 1 418.419 4.539 40 0 HJABMO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000072358901 559186113 /nfs/dbraw/zinc/18/61/13/559186113.db2.gz OYBCWZVGABOIDO-HSZRJFAPSA-N 1 1 414.553 4.914 40 0 HJABMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000004083735 560598624 /nfs/dbraw/zinc/59/86/24/560598624.db2.gz FOMDFGUQTIWHEP-VBBMSDFBSA-N 1 1 410.396 4.528 40 0 HJABMO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409414567 560723353 /nfs/dbraw/zinc/72/33/53/560723353.db2.gz MUMOMJJBRFKSKD-OIDISNMWSA-N 1 1 409.961 4.857 40 0 HJABMO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000223441602 568549065 /nfs/dbraw/zinc/54/90/65/568549065.db2.gz ATSUZAHOYZXTDK-UHFFFAOYSA-N 1 1 415.430 4.997 40 0 HJABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224526359 568583625 /nfs/dbraw/zinc/58/36/25/568583625.db2.gz VZZVCNCTCUQQMU-UHFFFAOYSA-N 1 1 424.585 4.740 40 0 HJABMO O=C(c1ccc(F)c(F)c1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028210630 568598698 /nfs/dbraw/zinc/59/86/98/568598698.db2.gz YIVZNJGTUKQGNT-UHFFFAOYSA-N 1 1 410.439 4.651 40 0 HJABMO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000224938962 568604862 /nfs/dbraw/zinc/60/48/62/568604862.db2.gz FNDOEHRGWPYYAU-UHFFFAOYSA-N 1 1 415.940 4.930 40 0 HJABMO CCO[C@@]1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225715315 568666945 /nfs/dbraw/zinc/66/69/45/568666945.db2.gz DGVTZKMVEXOKIA-HSGJQSDISA-N 1 1 416.606 4.967 40 0 HJABMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCOc2ccccc21 ZINC000225907199 568685217 /nfs/dbraw/zinc/68/52/17/568685217.db2.gz PQQIIKJGSXGBEX-INIZCTEOSA-N 1 1 405.325 4.631 40 0 HJABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCOc2ccccc21 ZINC000225907199 568685220 /nfs/dbraw/zinc/68/52/20/568685220.db2.gz PQQIIKJGSXGBEX-INIZCTEOSA-N 1 1 405.325 4.631 40 0 HJABMO c1c2ccccc2oc1-c1nnc2sc(C[N@H+]3CC[C@@H](c4ccccc4)C3)nn21 ZINC000096194455 568704032 /nfs/dbraw/zinc/70/40/32/568704032.db2.gz ZMQRJTHTONOTAN-QGZVFWFLSA-N 1 1 401.495 4.589 40 0 HJABMO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260814626 568740185 /nfs/dbraw/zinc/74/01/85/568740185.db2.gz LNRVPQDYNMRIBY-YADARESESA-N 1 1 402.579 4.721 40 0 HJABMO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257200836 568776448 /nfs/dbraw/zinc/77/64/48/568776448.db2.gz AFBRQQILKLANJA-QGZVFWFLSA-N 1 1 419.504 4.566 40 0 HJABMO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@]3(CO[C@@H](c4ccccc4)[C@H](C(C)C)C3)C2)cc1 ZINC000257283248 568799430 /nfs/dbraw/zinc/79/94/30/568799430.db2.gz OXLMHTONQMUPTD-GSDHBNRESA-N 1 1 422.569 4.650 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CCO[C@]3(CO[C@@H](c4ccccc4)[C@H](C(C)C)C3)C2)cc1 ZINC000257283248 568799432 /nfs/dbraw/zinc/79/94/32/568799432.db2.gz OXLMHTONQMUPTD-GSDHBNRESA-N 1 1 422.569 4.650 40 0 HJABMO CCOc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000006790961 568936869 /nfs/dbraw/zinc/93/68/69/568936869.db2.gz FQWIETFSWUKQHB-VWLOTQADSA-N 1 1 420.597 4.779 40 0 HJABMO CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@H+](C)C[C@@H](C)c2ccccc2)C1 ZINC000248127862 569316357 /nfs/dbraw/zinc/31/63/57/569316357.db2.gz PKBNUEFQKBVAND-NQIIRXRSSA-N 1 1 404.558 4.524 40 0 HJABMO C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000019498191 569345560 /nfs/dbraw/zinc/34/55/60/569345560.db2.gz SWRULZWHTDBBPH-DRMXPCRNSA-N 1 1 421.585 4.521 40 0 HJABMO COc1ccc(OCc2sc([C@@]3(O)CCC[N@@H+](CC(C)(C)C)CC3)nc2C)cc1 ZINC000019705276 569347901 /nfs/dbraw/zinc/34/79/01/569347901.db2.gz ZLDZQMCAMRNOQI-HSZRJFAPSA-N 1 1 418.603 4.759 40 0 HJABMO NC(=O)c1ccc(Oc2ccc(C[N@H+]3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1 ZINC000073196208 569385408 /nfs/dbraw/zinc/38/54/08/569385408.db2.gz LOOCZNLSXJHWTG-NRFANRHFSA-N 1 1 407.901 4.963 40 0 HJABMO C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](C[C@H]4[C@H]3CC(=O)[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]2C[N@H+]2C[C@@H](C)CC[C@@H]12 ZINC000070454884 291278850 /nfs/dbraw/zinc/27/88/50/291278850.db2.gz MWBJDDYEYGDWCZ-ATGPSCQOSA-N 1 1 413.646 4.771 40 0 biogenic,in-vitro HJABMO CC(C)Oc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044932167 519779503 /nfs/dbraw/zinc/77/95/03/519779503.db2.gz NJPUMDCCHBCZBP-FQEVSTJZSA-N 1 1 400.950 4.656 40 0 HJABMO Cc1cc(C[N@@H+](CCCn2ccnc2)Cc2ccccc2F)c(C)n1-c1cccnc1 ZINC000043277845 524669357 /nfs/dbraw/zinc/66/93/57/524669357.db2.gz ZFEFYYQQYULAFE-UHFFFAOYSA-N 1 1 417.532 4.917 40 0 HJABMO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccccc1 ZINC000004883020 557609622 /nfs/dbraw/zinc/60/96/22/557609622.db2.gz RSRWANORXWLERH-FRIKZZABSA-N 1 1 407.558 4.835 40 0 HJABMO COc1cccc(-c2nc3c(s2)C[N@H+](Cc2c(C)nc4cc(C)ccn42)CC3)c1 ZINC000019719850 558258411 /nfs/dbraw/zinc/25/84/11/558258411.db2.gz NGPSPZJLGBNSCW-UHFFFAOYSA-N 1 1 404.539 4.642 40 0 HJABMO COc1cccc(-c2nc3c(s2)C[N@@H+](Cc2c(C)nc4cc(C)ccn42)CC3)c1 ZINC000019719850 558258414 /nfs/dbraw/zinc/25/84/14/558258414.db2.gz NGPSPZJLGBNSCW-UHFFFAOYSA-N 1 1 404.539 4.642 40 0 HJABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753230 558272526 /nfs/dbraw/zinc/27/25/26/558272526.db2.gz NEYYCNVZNQPTCJ-JOCHJYFZSA-N 1 1 410.537 4.714 40 0 HJABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)N(C1CCCCC1)C1CCCCC1 ZINC000012114386 558327300 /nfs/dbraw/zinc/32/73/00/558327300.db2.gz YZLQKHFRTNHDED-OFFJZUQKSA-N 1 1 414.590 4.588 40 0 HJABMO COc1ccc(C[N@@H+](Cc2ccc(C)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000012366517 558388492 /nfs/dbraw/zinc/38/84/92/558388492.db2.gz XCCNPGGMLRGQHZ-RCZVLFRGSA-N 1 1 406.526 4.560 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000012408201 558399212 /nfs/dbraw/zinc/39/92/12/558399212.db2.gz ZGFPMJITQAXRLK-PZJWPPBQSA-N 1 1 409.530 4.666 40 0 HJABMO COc1cc(CNCC[NH+](C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022075748 558462536 /nfs/dbraw/zinc/46/25/36/558462536.db2.gz UGSKUBZVQBGNSB-UHFFFAOYSA-N 1 1 417.764 4.886 40 0 HJABMO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039759471 558689948 /nfs/dbraw/zinc/68/99/48/558689948.db2.gz AJCSGSFTLYKBJF-UHFFFAOYSA-N 1 1 420.981 4.741 40 0 HJABMO COC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)ccc1Cl ZINC000030938832 558745116 /nfs/dbraw/zinc/74/51/16/558745116.db2.gz CGJMZMAWVRWECL-HNNXBMFYSA-N 1 1 421.324 4.631 40 0 HJABMO COc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(OC)cc1Cl ZINC000030942673 558745946 /nfs/dbraw/zinc/74/59/46/558745946.db2.gz DYGTZIVAVWVKFT-HNNXBMFYSA-N 1 1 423.340 4.861 40 0 HJABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000030946503 558746555 /nfs/dbraw/zinc/74/65/55/558746555.db2.gz HNZHBLHQJQMAQL-UHFFFAOYSA-N 1 1 421.324 4.631 40 0 HJABMO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833932 558817411 /nfs/dbraw/zinc/81/74/11/558817411.db2.gz JZOXUMKJFLECCL-HNNXBMFYSA-N 1 1 407.739 4.953 40 0 HJABMO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038853754 558819270 /nfs/dbraw/zinc/81/92/70/558819270.db2.gz CTNAHFZLZHXWFE-UHFFFAOYSA-N 1 1 421.324 4.615 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019236811 558855885 /nfs/dbraw/zinc/85/58/85/558855885.db2.gz XOXJGZHJMGRMII-HWBMXIPRSA-N 1 1 403.570 4.929 40 0 HJABMO Cc1ccnc(-n2cccc2C[N@@H+](CCCn2ccnc2)Cc2cccc(F)c2)c1 ZINC000019238213 558857277 /nfs/dbraw/zinc/85/72/77/558857277.db2.gz OPOIFOCWBOUVHS-UHFFFAOYSA-N 1 1 403.505 4.609 40 0 HJABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCC[N@H+]3C[C@@H]3CCOC3)nn21 ZINC000019344177 558872736 /nfs/dbraw/zinc/87/27/36/558872736.db2.gz UQQTWWUFYFFZMD-BBRMVZONSA-N 1 1 422.476 4.650 40 0 HJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019370352 558878421 /nfs/dbraw/zinc/87/84/21/558878421.db2.gz HVAAQCQXBXDJRA-FXSPECFOSA-N 1 1 403.570 4.550 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000019400472 558883223 /nfs/dbraw/zinc/88/32/23/558883223.db2.gz QOWLDWRIHCBQLS-PTLVVNQVSA-N 1 1 407.533 4.760 40 0 HJABMO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)C1CCC1 ZINC000019400788 558883349 /nfs/dbraw/zinc/88/33/49/558883349.db2.gz TYPRYZWDNSIUQA-JOCHJYFZSA-N 1 1 415.940 4.744 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)C1CCCC1 ZINC000019400685 558883460 /nfs/dbraw/zinc/88/34/60/558883460.db2.gz PGZHCWHVWAKBRQ-AUSIDOKSSA-N 1 1 413.512 4.620 40 0 HJABMO CCn1ncc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1C ZINC000019523964 558905352 /nfs/dbraw/zinc/90/53/52/558905352.db2.gz QENZFIVCZRQUHF-HXUWFJFHSA-N 1 1 408.502 4.712 40 0 HJABMO CCn1ncc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1C ZINC000019523964 558905353 /nfs/dbraw/zinc/90/53/53/558905353.db2.gz QENZFIVCZRQUHF-HXUWFJFHSA-N 1 1 408.502 4.712 40 0 HJABMO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4cccs4)C[C@@H]32)cc1 ZINC000019557780 558919733 /nfs/dbraw/zinc/91/97/33/558919733.db2.gz OSHXPIQEQUMUGV-WXFUMESZSA-N 1 1 424.610 4.763 40 0 HJABMO Cc1noc2nc([C@H]3CCC[N@@H+](Cc4c[nH]nc4C(C)(C)C)C3)cc(C(F)F)c12 ZINC000019564304 558924420 /nfs/dbraw/zinc/92/44/20/558924420.db2.gz DCIURIMEACDTJB-ZDUSSCGKSA-N 1 1 403.477 4.869 40 0 HJABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019568931 558928060 /nfs/dbraw/zinc/92/80/60/558928060.db2.gz NUKXZYKENZPWCP-SQJMNOBHSA-N 1 1 421.585 4.854 40 0 HJABMO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072345960 558942504 /nfs/dbraw/zinc/94/25/04/558942504.db2.gz BLZWHMCJTFGZRN-KRWDZBQOSA-N 1 1 413.447 4.519 40 0 HJABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 ZINC000019592280 558943348 /nfs/dbraw/zinc/94/33/48/558943348.db2.gz CMECGYQXJOWFFU-HXUWFJFHSA-N 1 1 410.525 4.508 40 0 HJABMO O=C(C[NH+]1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1)Nc1ccccn1 ZINC000072349553 558946338 /nfs/dbraw/zinc/94/63/38/558946338.db2.gz HSEIKHAMPLMZJC-UHFFFAOYSA-N 1 1 420.944 4.539 40 0 HJABMO Cc1ccccc1OCC[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000072352319 558948580 /nfs/dbraw/zinc/94/85/80/558948580.db2.gz IJBLUPGTLKHKGL-GOSISDBHSA-N 1 1 408.567 4.780 40 0 HJABMO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)C[N@@H+](Cc3ccccc3)C4)cn2)n1 ZINC000019656322 558949372 /nfs/dbraw/zinc/94/93/72/558949372.db2.gz SJMIPTOSHGNQBJ-UHFFFAOYSA-N 1 1 423.520 4.652 40 0 HJABMO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)C[N@H+](Cc3ccccc3)C4)cn2)n1 ZINC000019656322 558949376 /nfs/dbraw/zinc/94/93/76/558949376.db2.gz SJMIPTOSHGNQBJ-UHFFFAOYSA-N 1 1 423.520 4.652 40 0 HJABMO O=C(Nc1nccs1)c1cccc([C@H]2CCC[N@H+]2Cc2cccc3ncccc23)n1 ZINC000072354392 558951850 /nfs/dbraw/zinc/95/18/50/558951850.db2.gz OBWNSNGPWYROSM-OAQYLSRUSA-N 1 1 415.522 4.676 40 0 HJABMO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(NC(C)=O)cc2)n1 ZINC000072358114 558953932 /nfs/dbraw/zinc/95/39/32/558953932.db2.gz IKENOUOBJCEGSY-RUZDIDTESA-N 1 1 415.537 4.977 40 0 HJABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)n1 ZINC000072372550 558960109 /nfs/dbraw/zinc/96/01/09/558960109.db2.gz FVHGXLJJBZVFTL-FQEVSTJZSA-N 1 1 410.518 4.944 40 0 HJABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000019702211 558967481 /nfs/dbraw/zinc/96/74/81/558967481.db2.gz KXZDMDMWAREAJA-KRWDZBQOSA-N 1 1 416.550 4.536 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)[nH]n2)c1 ZINC000072378318 558967559 /nfs/dbraw/zinc/96/75/59/558967559.db2.gz IPJPZCMDWKDVTB-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)[nH]n2)c1 ZINC000072378318 558967560 /nfs/dbraw/zinc/96/75/60/558967560.db2.gz IPJPZCMDWKDVTB-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)s1 ZINC000019711177 558973341 /nfs/dbraw/zinc/97/33/41/558973341.db2.gz IFRVDFYZJQDNAP-JOCHJYFZSA-N 1 1 424.545 4.561 40 0 HJABMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)s1 ZINC000019711177 558973343 /nfs/dbraw/zinc/97/33/43/558973343.db2.gz IFRVDFYZJQDNAP-JOCHJYFZSA-N 1 1 424.545 4.561 40 0 HJABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccccc2F)C1 ZINC000096071329 559094355 /nfs/dbraw/zinc/09/43/55/559094355.db2.gz MNSAMNRYRMNDDJ-QHCPKHFHSA-N 1 1 400.925 4.679 40 0 HJABMO Cc1cnc(C[N@H+]2CCC[C@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)cn1 ZINC000585262836 559111485 /nfs/dbraw/zinc/11/14/85/559111485.db2.gz KXGJIAUYXVLTCY-KRWDZBQOSA-N 1 1 418.932 4.528 40 0 HJABMO Clc1ccc2ncc(-c3cccc([C@H]4CCC[N@@H+](Cc5ccccn5)C4)n3)n2c1 ZINC000585262951 559111565 /nfs/dbraw/zinc/11/15/65/559111565.db2.gz RGCVMPOGJHAWDD-KRWDZBQOSA-N 1 1 403.917 4.824 40 0 HJABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)c1 ZINC000072359003 559186038 /nfs/dbraw/zinc/18/60/38/559186038.db2.gz PGWDHPHGQLVFAY-LJQANCHMSA-N 1 1 407.489 4.550 40 0 HJABMO Clc1ccc(-c2nsc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000001370821 560581122 /nfs/dbraw/zinc/58/11/22/560581122.db2.gz ZAPIIKSBBZXEIC-UHFFFAOYSA-N 1 1 421.957 4.729 40 0 HJABMO CCc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000020192294 560885706 /nfs/dbraw/zinc/88/57/06/560885706.db2.gz NLHNAFQMEUFEJE-SANMLTNESA-N 1 1 404.598 4.942 40 0 HJABMO COc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=[NH+]CCCC2)cc1 ZINC000007275503 568479529 /nfs/dbraw/zinc/47/95/29/568479529.db2.gz MQQJCECQAQUFTF-UHFFFAOYSA-N 1 1 401.304 4.729 40 0 HJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)C1 ZINC000219240771 568488226 /nfs/dbraw/zinc/48/82/26/568488226.db2.gz UXXMHMHZSBHNOP-MRXNPFEDSA-N 1 1 424.932 4.552 40 0 HJABMO COc1ccc2c(c1)N[C@@]1(CCC[N@@H+](CCCOc3ccccc3)C1)c1cccn1-2 ZINC000057719899 568496131 /nfs/dbraw/zinc/49/61/31/568496131.db2.gz MLZWUHLYRUKOGD-RUZDIDTESA-N 1 1 403.526 4.672 40 0 HJABMO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224541051 568584243 /nfs/dbraw/zinc/58/42/43/568584243.db2.gz HHXJTHOZSAJPCE-UHFFFAOYSA-N 1 1 421.368 4.538 40 0 HJABMO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224548560 568584620 /nfs/dbraw/zinc/58/46/20/568584620.db2.gz MJPNHXSOWXTXQU-UHFFFAOYSA-N 1 1 409.332 4.703 40 0 HJABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1CSc1ccc(Cl)cc1 ZINC000224678892 568592131 /nfs/dbraw/zinc/59/21/31/568592131.db2.gz LZKSMHXQTRJCHD-UHFFFAOYSA-N 1 1 418.990 4.809 40 0 HJABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000225561305 568651219 /nfs/dbraw/zinc/65/12/19/568651219.db2.gz GJOYWUXCZSGXSI-OAQYLSRUSA-N 1 1 422.569 4.627 40 0 HJABMO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225576172 568653319 /nfs/dbraw/zinc/65/33/19/568653319.db2.gz CLQVNTNUYFMLGJ-UHFFFAOYSA-N 1 1 420.981 4.908 40 0 HJABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)C1 ZINC000225780070 568674152 /nfs/dbraw/zinc/67/41/52/568674152.db2.gz RMDJRQMKYRIOFK-GOSISDBHSA-N 1 1 400.950 4.771 40 0 HJABMO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816836 568740116 /nfs/dbraw/zinc/74/01/16/568740116.db2.gz QZYRBDFGIZBLAJ-GBXCKJPGSA-N 1 1 404.595 4.967 40 0 HJABMO Cc1[nH+]ccn1-c1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3)[C@@H]3CCCC[C@H]3O2)cc1 ZINC000257219130 568781550 /nfs/dbraw/zinc/78/15/50/568781550.db2.gz DFSMTVBDLWJCGH-ZYQDXHPFSA-N 1 1 415.537 5.000 40 0 HJABMO CC(C)[N@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3cccc4ncccc34)c2)C1 ZINC000257274328 568797034 /nfs/dbraw/zinc/79/70/34/568797034.db2.gz NKMXVJIEVQRQDC-FQEVSTJZSA-N 1 1 412.541 4.830 40 0 HJABMO Cc1ccccc1C[N@H+]1CCCC[C@H]1c1n[nH]cc1C(=O)N(C)Cc1ccccc1 ZINC000257298201 568804056 /nfs/dbraw/zinc/80/40/56/568804056.db2.gz RKPPATMXPDPCNO-QHCPKHFHSA-N 1 1 402.542 4.718 40 0 HJABMO Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1n[nH]cc1C(=O)N(C)Cc1ccccc1 ZINC000257298201 568804057 /nfs/dbraw/zinc/80/40/57/568804057.db2.gz RKPPATMXPDPCNO-QHCPKHFHSA-N 1 1 402.542 4.718 40 0 HJABMO O=C1C[C@H]([NH+]2CCC(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100237982 568935893 /nfs/dbraw/zinc/93/58/93/568935893.db2.gz MSQGTYXCOYTERD-FQEVSTJZSA-N 1 1 417.336 4.580 40 0 HJABMO C[C@H]1C[NH+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C[C@H](C)O1 ZINC000216827694 569025051 /nfs/dbraw/zinc/02/50/51/569025051.db2.gz YDVJMLRUIYNJNU-KBPBESRZSA-N 1 1 401.304 4.867 40 0 HJABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019348957 569345372 /nfs/dbraw/zinc/34/53/72/569345372.db2.gz SWDNPTPLKQAUPZ-PXDATVDWSA-N 1 1 409.549 4.871 40 0 HJABMO C[C@H](C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000019456117 569345431 /nfs/dbraw/zinc/34/54/31/569345431.db2.gz AMPDDSIZYOYEQN-SYYKKAFVSA-N 1 1 420.582 4.525 40 0 HJABMO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456043 569345467 /nfs/dbraw/zinc/34/54/67/569345467.db2.gz KVVHGIDFPXOQHE-JIPXPUAJSA-N 1 1 413.565 4.533 40 0 HJABMO Fc1ccccc1OCc1cc([C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000019704713 569347769 /nfs/dbraw/zinc/34/77/69/569347769.db2.gz FTGGZQVAFOFRAQ-GOSISDBHSA-N 1 1 402.473 4.666 40 0 HJABMO Fc1ccccc1OCc1cc([C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)[nH]n1 ZINC000019704713 569347770 /nfs/dbraw/zinc/34/77/70/569347770.db2.gz FTGGZQVAFOFRAQ-GOSISDBHSA-N 1 1 402.473 4.666 40 0 HJABMO Fc1ccccc1OCc1cc([C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)[nH]n1 ZINC000019704713 569347771 /nfs/dbraw/zinc/34/77/71/569347771.db2.gz FTGGZQVAFOFRAQ-GOSISDBHSA-N 1 1 402.473 4.666 40 0 HJABMO C[C@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000070670014 571272377 /nfs/dbraw/zinc/27/23/77/571272377.db2.gz CGSTWGORIYPEBG-YXSXJYGWSA-N 1 1 415.662 4.707 40 0 biogenic HJABMO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000035426188 291275811 /nfs/dbraw/zinc/27/58/11/291275811.db2.gz HOVZCUGJYFCXCF-INIZCTEOSA-N 1 1 403.408 4.529 40 0 biogenic,in-vitro HJABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000035426188 291275813 /nfs/dbraw/zinc/27/58/13/291275813.db2.gz HOVZCUGJYFCXCF-INIZCTEOSA-N 1 1 403.408 4.529 40 0 biogenic,in-vitro HJABMO CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044916450 519778963 /nfs/dbraw/zinc/77/89/63/519778963.db2.gz SLMZOWVSDVZZCP-JOCHJYFZSA-N 1 1 412.549 4.574 40 0 HJABMO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044920061 521487628 /nfs/dbraw/zinc/48/76/28/521487628.db2.gz MBDXBAKPBGFKSA-UHFFFAOYSA-N 1 1 421.368 4.921 40 0 HJABMO CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1C ZINC000044911595 521543916 /nfs/dbraw/zinc/54/39/16/521543916.db2.gz LFXZYFWVRHFRII-SFHVURJKSA-N 1 1 414.933 4.676 40 0 HJABMO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044909272 526276958 /nfs/dbraw/zinc/27/69/58/526276958.db2.gz OTHVKVUITKAXNN-UHFFFAOYSA-N 1 1 405.369 4.954 40 0 HJABMO Cc1cc(NCC[NH+](C(C)C)C(C)C)nc(Nc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000001706644 557281979 /nfs/dbraw/zinc/28/19/79/557281979.db2.gz PJFKBDIVMUNLGV-UHFFFAOYSA-N 1 1 401.946 4.589 40 0 HJABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753210 558272551 /nfs/dbraw/zinc/27/25/51/558272551.db2.gz WKAIHQIWLPZFJI-SFHVURJKSA-N 1 1 406.917 4.680 40 0 HJABMO CC(C)NC(=O)c1cc([C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)nc2ccccc21 ZINC000019762837 558277355 /nfs/dbraw/zinc/27/73/55/558277355.db2.gz HFXIYMNIJCJWHQ-HXUWFJFHSA-N 1 1 424.548 4.911 40 0 HJABMO COc1ccc(C[N@H+](Cc2ccc(C)o2)C[C@@H]2CCCO2)cc1Cn1nc(C)cc1C ZINC000012187437 558346282 /nfs/dbraw/zinc/34/62/82/558346282.db2.gz WAQXMBCNSIPTQW-QHCPKHFHSA-N 1 1 423.557 4.639 40 0 HJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)C1 ZINC000020458231 558371252 /nfs/dbraw/zinc/37/12/52/558371252.db2.gz LVEBHYOLPDYJDP-SFHVURJKSA-N 1 1 407.558 4.699 40 0 HJABMO CCOc1ccccc1CNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020492463 558378545 /nfs/dbraw/zinc/37/85/45/558378545.db2.gz HWZMFINMQIZDPO-UHFFFAOYSA-N 1 1 400.522 4.574 40 0 HJABMO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038834304 558817420 /nfs/dbraw/zinc/81/74/20/558817420.db2.gz RGMIAEXIDVVSKH-UHFFFAOYSA-N 1 1 417.347 4.699 40 0 HJABMO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038835141 558817945 /nfs/dbraw/zinc/81/79/45/558817945.db2.gz FNORXIOQSQQNPN-UHFFFAOYSA-N 1 1 421.324 4.631 40 0 HJABMO Cc1ccc(SCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038836636 558818142 /nfs/dbraw/zinc/81/81/42/558818142.db2.gz CXNGCSIBJPAQOL-IBGZPJMESA-N 1 1 402.991 4.769 40 0 HJABMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)cc1 ZINC000019081625 558839805 /nfs/dbraw/zinc/83/98/05/558839805.db2.gz VRCYGJHTKUGRRK-YPAWHYETSA-N 1 1 412.599 4.619 40 0 HJABMO COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000019081722 558839819 /nfs/dbraw/zinc/83/98/19/558839819.db2.gz NIGFCWPBZVFLLQ-NFBKMPQASA-N 1 1 409.574 4.738 40 0 HJABMO COc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC ZINC000019120481 558842891 /nfs/dbraw/zinc/84/28/91/558842891.db2.gz JAPMPYCAXLWCMT-JTHBVZDNSA-N 1 1 421.541 4.809 40 0 HJABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019400584 558883239 /nfs/dbraw/zinc/88/32/39/558883239.db2.gz AHYXWHRDNZKYSF-SQJMNOBHSA-N 1 1 409.549 4.871 40 0 HJABMO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000019400857 558883354 /nfs/dbraw/zinc/88/33/54/558883354.db2.gz KHEZHXZNJZYTMR-NRFANRHFSA-N 1 1 418.368 4.868 40 0 HJABMO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)cc2n1 ZINC000019452288 558890102 /nfs/dbraw/zinc/89/01/02/558890102.db2.gz QMNCDPOBKVPWBZ-MRXNPFEDSA-N 1 1 403.452 4.646 40 0 HJABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)no2)CC1 ZINC000019496749 558895767 /nfs/dbraw/zinc/89/57/67/558895767.db2.gz LZFUJYCOVZAANP-SFHVURJKSA-N 1 1 401.938 4.580 40 0 HJABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cccnc2NC)C1 ZINC000019522022 558903182 /nfs/dbraw/zinc/90/31/82/558903182.db2.gz QLAOTCXUIXOEOA-ZDUSSCGKSA-N 1 1 419.451 4.620 40 0 HJABMO CCn1ncc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1C ZINC000019523965 558905279 /nfs/dbraw/zinc/90/52/79/558905279.db2.gz QENZFIVCZRQUHF-FQEVSTJZSA-N 1 1 408.502 4.712 40 0 HJABMO CCn1ncc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1C ZINC000019523965 558905282 /nfs/dbraw/zinc/90/52/82/558905282.db2.gz QENZFIVCZRQUHF-FQEVSTJZSA-N 1 1 408.502 4.712 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330409 558934487 /nfs/dbraw/zinc/93/44/87/558934487.db2.gz BFNRFIIFQPRIMC-XXBNENTESA-N 1 1 421.566 4.535 40 0 HJABMO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000072353747 558950929 /nfs/dbraw/zinc/95/09/29/558950929.db2.gz ZBSXBZPEWDOMKB-FQEVSTJZSA-N 1 1 414.553 4.940 40 0 HJABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccccc3C)cc(C)n2)cn1 ZINC000019691927 558961423 /nfs/dbraw/zinc/96/14/23/558961423.db2.gz OTDIJZRJJPGKRS-RUZDIDTESA-N 1 1 416.569 4.605 40 0 HJABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccccc3C)cc(C)n2)cn1 ZINC000019691927 558961425 /nfs/dbraw/zinc/96/14/25/558961425.db2.gz OTDIJZRJJPGKRS-RUZDIDTESA-N 1 1 416.569 4.605 40 0 HJABMO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375506 558964223 /nfs/dbraw/zinc/96/42/23/558964223.db2.gz AZFNNJGWIBDMDH-GOSISDBHSA-N 1 1 410.543 4.944 40 0 HJABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375506 558964225 /nfs/dbraw/zinc/96/42/25/558964225.db2.gz AZFNNJGWIBDMDH-GOSISDBHSA-N 1 1 410.543 4.944 40 0 HJABMO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(Cl)c1 ZINC000072377243 558966525 /nfs/dbraw/zinc/96/65/25/558966525.db2.gz CVMMNLCYTPKAPS-LJQANCHMSA-N 1 1 408.937 4.543 40 0 HJABMO c1ccc([C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)[C@@H]3CCOC[C@@H]32)cc1 ZINC000257344552 559014547 /nfs/dbraw/zinc/01/45/47/559014547.db2.gz ZXTNURWEULCGOY-UBFVSLLYSA-N 1 1 400.522 4.665 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3cccc(C)c3)C2)cc1 ZINC000072359045 559186081 /nfs/dbraw/zinc/18/60/81/559186081.db2.gz RJUPSXLYFDWKGR-JOCHJYFZSA-N 1 1 400.526 4.790 40 0 HJABMO C[C@H]1[C@H]2CC[C@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@@H]12 ZINC000118915635 559205426 /nfs/dbraw/zinc/20/54/26/559205426.db2.gz AANKDJLVHZQCFG-SSXAIVMPSA-N 1 1 413.646 4.626 40 0 in-vitro HJABMO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257222291 559283666 /nfs/dbraw/zinc/28/36/66/559283666.db2.gz DSSITBDOODWRMY-AZGAKELHSA-N 1 1 422.569 4.589 40 0 HJABMO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257222291 559283667 /nfs/dbraw/zinc/28/36/67/559283667.db2.gz DSSITBDOODWRMY-AZGAKELHSA-N 1 1 422.569 4.589 40 0 HJABMO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000257281094 559285291 /nfs/dbraw/zinc/28/52/91/559285291.db2.gz ONOUDEUOTQFRIO-UHFFFAOYSA-N 1 1 420.340 4.930 40 0 HJABMO CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1[nH+]cc(C)c(OC)c1C ZINC000004905212 560617503 /nfs/dbraw/zinc/61/75/03/560617503.db2.gz UFRVZYIGFMYMBT-UHFFFAOYSA-N 1 1 421.472 4.817 40 0 HJABMO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000409414564 560723343 /nfs/dbraw/zinc/72/33/43/560723343.db2.gz MUMOMJJBRFKSKD-IFOZNXLVSA-N 1 1 409.961 4.857 40 0 HJABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1F)C[N@H+](Cc1ccccc1)CC3 ZINC000014162733 560839437 /nfs/dbraw/zinc/83/94/37/560839437.db2.gz YNKGQNUHTVVLIB-UHFFFAOYSA-N 1 1 423.538 4.807 40 0 HJABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1F)C[N@@H+](Cc1ccccc1)CC3 ZINC000014162733 560839439 /nfs/dbraw/zinc/83/94/39/560839439.db2.gz YNKGQNUHTVVLIB-UHFFFAOYSA-N 1 1 423.538 4.807 40 0 HJABMO COc1ccc(C(=O)CN(c2ccc(OC(F)F)cc2)C2=[NH+]CCCCC2)cc1 ZINC000007275413 568479478 /nfs/dbraw/zinc/47/94/78/568479478.db2.gz XDKZYRGMWZGQMT-UHFFFAOYSA-N 1 1 402.441 4.958 40 0 HJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000022931894 568500856 /nfs/dbraw/zinc/50/08/56/568500856.db2.gz NNBDWDGNSHBVGR-HSZRJFAPSA-N 1 1 423.601 4.898 40 0 HJABMO O=C(CCc1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000222604314 568520269 /nfs/dbraw/zinc/52/02/69/568520269.db2.gz DMWCKNDYUMBIGS-UHFFFAOYSA-N 1 1 402.513 4.692 40 0 HJABMO CCc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000223415875 568548099 /nfs/dbraw/zinc/54/80/99/568548099.db2.gz ILUORQBTUWEETC-UHFFFAOYSA-N 1 1 414.549 4.616 40 0 HJABMO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000224914699 568603699 /nfs/dbraw/zinc/60/36/99/568603699.db2.gz LQUJUEDJYWBBCN-XMMPIXPASA-N 1 1 403.526 4.533 40 0 HJABMO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577158 568653313 /nfs/dbraw/zinc/65/33/13/568653313.db2.gz GHSLMJUKRIMRHO-UHFFFAOYSA-N 1 1 411.304 4.992 40 0 HJABMO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225591301 568655378 /nfs/dbraw/zinc/65/53/78/568655378.db2.gz PYLSUKDXRXDOAA-OAHLLOKOSA-N 1 1 404.913 4.577 40 0 HJABMO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225623075 568658085 /nfs/dbraw/zinc/65/80/85/568658085.db2.gz MMBVSYDTAFZLBV-JXALWOEJSA-N 1 1 404.595 4.967 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCC1 ZINC000225709237 568666603 /nfs/dbraw/zinc/66/66/03/568666603.db2.gz HITIMQYROAGYIV-BGYRXZFFSA-N 1 1 402.579 4.721 40 0 HJABMO CSc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257236750 568786787 /nfs/dbraw/zinc/78/67/87/568786787.db2.gz HDPDVTJHWGSFQU-SFHVURJKSA-N 1 1 413.587 4.839 40 0 HJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H]2c2ccnc(-c3ccccc3)n2)c1 ZINC000257261388 568793340 /nfs/dbraw/zinc/79/33/40/568793340.db2.gz LHCBPTHMRIBIQJ-DEOSSOPVSA-N 1 1 423.520 4.674 40 0 HJABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1CCOc1ccc(F)cc1 ZINC000257279692 568798350 /nfs/dbraw/zinc/79/83/50/568798350.db2.gz OHTOBRPVVOWRKX-QHCPKHFHSA-N 1 1 418.578 4.828 40 0 HJABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1c1ccnc(CNC(C)=O)c1 ZINC000257283176 568799398 /nfs/dbraw/zinc/79/93/98/568799398.db2.gz OXAQCBWRGYTVOQ-VWLOTQADSA-N 1 1 415.537 4.730 40 0 HJABMO Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)s1 ZINC000257287503 568800915 /nfs/dbraw/zinc/80/09/15/568800915.db2.gz PQGMMKCLJOAQEH-CZLVRFMKSA-N 1 1 423.626 4.849 40 0 HJABMO Fc1ccc(C[NH+]2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)nc1 ZINC000257293639 568802753 /nfs/dbraw/zinc/80/27/53/568802753.db2.gz QQMYHEDRDWGGAG-PZJWPPBQSA-N 1 1 402.897 4.769 40 0 HJABMO COc1cc2c(cc1OC)CN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)CC2 ZINC000328986065 568971359 /nfs/dbraw/zinc/97/13/59/568971359.db2.gz HVZBFVWMIHBZKG-UHFFFAOYSA-N 1 1 408.546 4.679 40 0 HJABMO COc1cc2c(cc1OC)CN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)CC2 ZINC000328986065 568971361 /nfs/dbraw/zinc/97/13/61/568971361.db2.gz HVZBFVWMIHBZKG-UHFFFAOYSA-N 1 1 408.546 4.679 40 0 HJABMO CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@@H+](C)C[C@H](C)c2ccccc2)C1 ZINC000248126890 569316331 /nfs/dbraw/zinc/31/63/31/569316331.db2.gz PAQLLIFNTBUBHQ-PZJWPPBQSA-N 1 1 418.585 4.914 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000019577337 569345783 /nfs/dbraw/zinc/34/57/83/569345783.db2.gz JJKKJDIFSMJYBC-WIOPSUGQSA-N 1 1 421.585 4.577 40 0 HJABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1CCOc1ccccc1F ZINC000019705413 569348019 /nfs/dbraw/zinc/34/80/19/569348019.db2.gz YRNGPYZYZFVAJX-QHCPKHFHSA-N 1 1 418.578 4.828 40 0 HJABMO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036092713 569351678 /nfs/dbraw/zinc/35/16/78/569351678.db2.gz PYOKJJNUOGAENT-OALUTQOASA-N 1 1 407.558 4.699 40 0 HJABMO CC1(C)C[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918117 569352035 /nfs/dbraw/zinc/35/20/35/569352035.db2.gz DVBXOJVCDQKCPK-RXVVDRJESA-N 1 1 412.961 4.971 40 0 HJABMO CCOC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1C ZINC000044911592 521542467 /nfs/dbraw/zinc/54/24/67/521542467.db2.gz LFXZYFWVRHFRII-GOSISDBHSA-N 1 1 414.933 4.676 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330412 524028699 /nfs/dbraw/zinc/02/86/99/524028699.db2.gz PAWMKIITWCDBRX-CVDCTZTESA-N 1 1 421.566 4.535 40 0 HJABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)CC1 ZINC000408572114 557469165 /nfs/dbraw/zinc/46/91/65/557469165.db2.gz FGCGYTWQOOLJHA-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO Cc1nc([C@@H]2CCC[N@H+](C3CCCCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000019744491 558264976 /nfs/dbraw/zinc/26/49/76/558264976.db2.gz IRXQMWMPJNVIKW-LJQANCHMSA-N 1 1 422.548 4.526 40 0 HJABMO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1O ZINC000012185739 558345195 /nfs/dbraw/zinc/34/51/95/558345195.db2.gz NGCRMPOKGTZENM-LJQANCHMSA-N 1 1 422.481 4.902 40 0 HJABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1O ZINC000012185739 558345198 /nfs/dbraw/zinc/34/51/98/558345198.db2.gz NGCRMPOKGTZENM-LJQANCHMSA-N 1 1 422.481 4.902 40 0 HJABMO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000030946141 558746562 /nfs/dbraw/zinc/74/65/62/558746562.db2.gz QBDRDJQKDWKLLF-UHFFFAOYSA-N 1 1 421.368 4.873 40 0 HJABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081771 558839775 /nfs/dbraw/zinc/83/97/75/558839775.db2.gz MFADXOOQCKMLBA-CKLISVJZSA-N 1 1 421.585 4.719 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019236826 558856127 /nfs/dbraw/zinc/85/61/27/558856127.db2.gz MHGQPPKWKXRZQY-OFVILXPXSA-N 1 1 417.528 4.912 40 0 HJABMO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334355 558869370 /nfs/dbraw/zinc/86/93/70/558869370.db2.gz SDLATWVIXCLFAN-VABKMULXSA-N 1 1 412.574 4.894 40 0 HJABMO O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019336203 558870200 /nfs/dbraw/zinc/87/02/00/558870200.db2.gz VZDPDPHIWOQPAL-SDHOMARFSA-N 1 1 421.560 4.731 40 0 HJABMO COc1cc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc(OC)c1OC ZINC000019559851 558921117 /nfs/dbraw/zinc/92/11/17/558921117.db2.gz GSGMYONRFOHVSV-QGZVFWFLSA-N 1 1 418.584 4.921 40 0 HJABMO Cc1cc(C[N@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc(C)c1O ZINC000019570008 558928981 /nfs/dbraw/zinc/92/89/81/558928981.db2.gz IPZRTGFMJUZJGP-FHLIZLRMSA-N 1 1 408.468 4.850 40 0 HJABMO Cc1cc(C[N@@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc(C)c1O ZINC000019570008 558928983 /nfs/dbraw/zinc/92/89/83/558928983.db2.gz IPZRTGFMJUZJGP-FHLIZLRMSA-N 1 1 408.468 4.850 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccs1 ZINC000072330405 558934498 /nfs/dbraw/zinc/93/44/98/558934498.db2.gz FICZDQUATVLFHZ-GCJKJVERSA-N 1 1 409.530 4.666 40 0 HJABMO COc1ccc2c(C[N@H+]3CCC[C@H]3c3cc(-c4cnn(C)c4)cc(C)n3)cn(C)c2c1 ZINC000019690996 558960528 /nfs/dbraw/zinc/96/05/28/558960528.db2.gz CLDFGJLDJJRMHY-DEOSSOPVSA-N 1 1 415.541 4.628 40 0 HJABMO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019691048 558960640 /nfs/dbraw/zinc/96/06/40/558960640.db2.gz MACUHSUXNWBGBI-VWLOTQADSA-N 1 1 424.552 4.798 40 0 HJABMO COc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000072373152 558960927 /nfs/dbraw/zinc/96/09/27/558960927.db2.gz NIGFCWPBZVFLLQ-REWPJTCUSA-N 1 1 409.574 4.738 40 0 HJABMO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072391194 558971209 /nfs/dbraw/zinc/97/12/09/558971209.db2.gz AQPWHURBPBIETE-RUZDIDTESA-N 1 1 419.594 4.723 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000072398607 558976025 /nfs/dbraw/zinc/97/60/25/558976025.db2.gz SLWQLUZMKVLMLA-QPPBQGQZSA-N 1 1 423.601 4.823 40 0 HJABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)CC2)N1Cc1ccc(F)cc1 ZINC000585100761 559023720 /nfs/dbraw/zinc/02/37/20/559023720.db2.gz VRWXQWLPYZHLJJ-SANMLTNESA-N 1 1 406.545 4.862 40 0 HJABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000096071326 559094380 /nfs/dbraw/zinc/09/43/80/559094380.db2.gz UWEJYIINOUUCJK-HSZRJFAPSA-N 1 1 400.925 4.679 40 0 HJABMO Fc1ccc(Nc2cccc(C3CC[NH+](Cc4nc5ccccc5[nH]4)CC3)n2)nc1 ZINC000585262996 559111626 /nfs/dbraw/zinc/11/16/26/559111626.db2.gz HEABTWFDUNDGKN-UHFFFAOYSA-N 1 1 402.477 4.615 40 0 HJABMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290694 559123291 /nfs/dbraw/zinc/12/32/91/559123291.db2.gz UCOWINQHNMHIGB-OAHLLOKOSA-N 1 1 406.383 4.669 40 0 HJABMO CCCCCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289991 560031206 /nfs/dbraw/zinc/03/12/06/560031206.db2.gz QROGGVHHKYJECS-GGAORHGYSA-N 1 1 414.496 4.729 40 0 biogenic,in-vitro HJABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000005218909 568442724 /nfs/dbraw/zinc/44/27/24/568442724.db2.gz ARYCMISIZKOYJP-WWNPGLIZSA-N 1 1 416.924 4.786 40 0 HJABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000005218909 568442726 /nfs/dbraw/zinc/44/27/26/568442726.db2.gz ARYCMISIZKOYJP-WWNPGLIZSA-N 1 1 416.924 4.786 40 0 HJABMO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224538327 568584095 /nfs/dbraw/zinc/58/40/95/568584095.db2.gz MJRGBPHGERWMDV-UHFFFAOYSA-N 1 1 409.332 4.703 40 0 HJABMO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000224547290 568584590 /nfs/dbraw/zinc/58/45/90/568584590.db2.gz ZEPQUCPGLWCCKB-KRWDZBQOSA-N 1 1 415.375 4.581 40 0 HJABMO CO[C@@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225636668 568659062 /nfs/dbraw/zinc/65/90/62/568659062.db2.gz KNHXFUCDABLGTH-REHUZNOOSA-N 1 1 402.579 4.721 40 0 HJABMO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225672875 568662789 /nfs/dbraw/zinc/66/27/89/568662789.db2.gz LNRVPQDYNMRIBY-DVECYGJZSA-N 1 1 402.579 4.721 40 0 HJABMO CCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812579 568739949 /nfs/dbraw/zinc/73/99/49/568739949.db2.gz GWWAIPLRLWPOJE-MZLICYQSSA-N 1 1 402.579 4.721 40 0 HJABMO Cc1nc(Nc2nccs2)cc(C2CC[NH+](Cc3cccc(F)c3F)CC2)n1 ZINC000257201992 568776471 /nfs/dbraw/zinc/77/64/71/568776471.db2.gz AJZSRJYQZUOILO-UHFFFAOYSA-N 1 1 401.486 4.643 40 0 HJABMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257222082 568782537 /nfs/dbraw/zinc/78/25/37/568782537.db2.gz DRUWDVFPQUTCFQ-LJQANCHMSA-N 1 1 411.546 4.515 40 0 HJABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000257283685 568799633 /nfs/dbraw/zinc/79/96/33/568799633.db2.gz OZJKIJXVMAEPKQ-MRXNPFEDSA-N 1 1 403.551 4.742 40 0 HJABMO Cc1nc([C@@H]2CC[N@@H+](CC3CCCCC3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257287582 568800841 /nfs/dbraw/zinc/80/08/41/568800841.db2.gz PQNSCWRCVAVGLW-HXUWFJFHSA-N 1 1 424.564 4.783 40 0 HJABMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290270 568801410 /nfs/dbraw/zinc/80/14/10/568801410.db2.gz QCFDYOQIZZKYPI-QHCPKHFHSA-N 1 1 402.542 4.718 40 0 HJABMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290270 568801413 /nfs/dbraw/zinc/80/14/13/568801413.db2.gz QCFDYOQIZZKYPI-QHCPKHFHSA-N 1 1 402.542 4.718 40 0 HJABMO COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cscn4)CC3)CO[C@H]21 ZINC000257342785 568816772 /nfs/dbraw/zinc/81/67/72/568816772.db2.gz ZQDRNHUJURSIOV-AZUAARDMSA-N 1 1 414.571 4.683 40 0 HJABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](Cc4ccco4)C3)nn2c1 ZINC000306134210 568896187 /nfs/dbraw/zinc/89/61/87/568896187.db2.gz NFTOKLJOVKHYBP-KRWDZBQOSA-N 1 1 406.461 4.517 40 0 HJABMO O=C(Nc1ccccc1)c1cnn2c1nccc2[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000306136283 568898100 /nfs/dbraw/zinc/89/81/00/568898100.db2.gz POQMKVGAWOKTSH-FQEVSTJZSA-N 1 1 417.557 4.741 40 0 HJABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C(C)C)[nH+]1)C2 ZINC000328979634 568971064 /nfs/dbraw/zinc/97/10/64/568971064.db2.gz GIOQDJRDPZEHAJ-UHFFFAOYSA-N 1 1 408.546 4.694 40 0 HJABMO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000328998003 568972000 /nfs/dbraw/zinc/97/20/00/568972000.db2.gz JRECCMMKYQIZAI-KRWDZBQOSA-N 1 1 400.526 4.582 40 0 HJABMO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000328998003 568972003 /nfs/dbraw/zinc/97/20/03/568972003.db2.gz JRECCMMKYQIZAI-KRWDZBQOSA-N 1 1 400.526 4.582 40 0 HJABMO COc1cc2c(cc1OC)CN(c1cc(NC3CCCCC3)nc(C(C)C)[nH+]1)CC2 ZINC000329022129 568972988 /nfs/dbraw/zinc/97/29/88/568972988.db2.gz OKXCDNRBCVKGNI-UHFFFAOYSA-N 1 1 410.562 4.925 40 0 HJABMO C[C@@H]1C[NH+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C[C@@H](C)O1 ZINC000216827628 569025073 /nfs/dbraw/zinc/02/50/73/569025073.db2.gz YDVJMLRUIYNJNU-ZIAGYGMSSA-N 1 1 401.304 4.867 40 0 HJABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+](Cc4ccncc4C)C3)cc2N1 ZINC000253602797 569318411 /nfs/dbraw/zinc/31/84/11/569318411.db2.gz RWCYJNURQPBREZ-YQVWRLOYSA-N 1 1 407.484 4.664 40 0 HJABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019133387 569345349 /nfs/dbraw/zinc/34/53/49/569345349.db2.gz FFUFRNCBEZQEJL-WMZHIEFXSA-N 1 1 409.574 4.514 40 0 HJABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019348959 569345483 /nfs/dbraw/zinc/34/54/83/569345483.db2.gz SWDNPTPLKQAUPZ-SQJMNOBHSA-N 1 1 409.549 4.871 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000019565059 569345613 /nfs/dbraw/zinc/34/56/13/569345613.db2.gz KRJQTASYDODNQU-WMZHIEFXSA-N 1 1 421.566 4.535 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000019577333 569345739 /nfs/dbraw/zinc/34/57/39/569345739.db2.gz SLWQLUZMKVLMLA-XUZZJYLKSA-N 1 1 423.601 4.823 40 0 HJABMO COc1cccc2cc(C[N@H+]3CC[C@H](c4cc(COc5ccccc5)[nH]n4)C3)oc21 ZINC000019704278 569347520 /nfs/dbraw/zinc/34/75/20/569347520.db2.gz QKUMSPHYZGOSRM-SFHVURJKSA-N 1 1 403.482 4.733 40 0 HJABMO COc1cccc2cc(C[N@@H+]3CC[C@H](c4cc(COc5ccccc5)n[nH]4)C3)oc21 ZINC000019704278 569347521 /nfs/dbraw/zinc/34/75/21/569347521.db2.gz QKUMSPHYZGOSRM-SFHVURJKSA-N 1 1 403.482 4.733 40 0 HJABMO COc1cccc2cc(C[N@H+]3CC[C@H](c4cc(COc5ccccc5)n[nH]4)C3)oc21 ZINC000019704278 569347522 /nfs/dbraw/zinc/34/75/22/569347522.db2.gz QKUMSPHYZGOSRM-SFHVURJKSA-N 1 1 403.482 4.733 40 0 HJABMO Cc1nc([C@]2(O)CCC[N@H+](CC(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000019705442 569348000 /nfs/dbraw/zinc/34/80/00/569348000.db2.gz LIGQEHHEFSYMRR-QFIPXVFZSA-N 1 1 406.567 4.542 40 0 HJABMO CNc1cc(CC2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)[nH+]c(C)n1 ZINC000019758691 569348790 /nfs/dbraw/zinc/34/87/90/569348790.db2.gz IQCQBYZSGKUCQS-UHFFFAOYSA-N 1 1 400.526 4.589 40 0 HJABMO Fc1ccccc1COc1ccccc1C(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033404477 569350492 /nfs/dbraw/zinc/35/04/92/569350492.db2.gz LSAADUYGRFPOEY-UHFFFAOYSA-N 1 1 420.553 4.898 40 0 HJABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(Cl)cc5)c43)C2)cc1 ZINC000004237520 291277388 /nfs/dbraw/zinc/27/73/88/291277388.db2.gz HOXBLNZFQKFWKV-AZUAARDMSA-N 1 1 420.940 4.797 40 0 biogenic,in-vitro HJABMO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044912628 520981107 /nfs/dbraw/zinc/98/11/07/520981107.db2.gz QELRJAGZIMSYSC-UHFFFAOYSA-N 1 1 421.368 4.921 40 0 HJABMO COc1cccc2ccc(C[N@@H+](CCCn3ccnc3)Cc3ccc(C)s3)nc21 ZINC000043277882 524261940 /nfs/dbraw/zinc/26/19/40/524261940.db2.gz WMMSOXPEPHPCCJ-UHFFFAOYSA-N 1 1 406.555 4.902 40 0 HJABMO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)n2c3ccccc3c3ccccc32)CC1 ZINC000037100509 558504755 /nfs/dbraw/zinc/50/47/55/558504755.db2.gz USUPQZPLKKDNCA-LJQANCHMSA-N 1 1 413.521 4.654 40 0 HJABMO CC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000030943503 558745926 /nfs/dbraw/zinc/74/59/26/558745926.db2.gz WWPBSJKBNKOATH-HNNXBMFYSA-N 1 1 420.340 4.803 40 0 HJABMO CC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000030943503 558745929 /nfs/dbraw/zinc/74/59/29/558745929.db2.gz WWPBSJKBNKOATH-HNNXBMFYSA-N 1 1 420.340 4.803 40 0 HJABMO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833931 558817288 /nfs/dbraw/zinc/81/72/88/558817288.db2.gz JZOXUMKJFLECCL-OAHLLOKOSA-N 1 1 407.739 4.953 40 0 HJABMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833993 558817453 /nfs/dbraw/zinc/81/74/53/558817453.db2.gz MUNLQWGYVMXBNU-OAHLLOKOSA-N 1 1 407.739 4.953 40 0 HJABMO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000038834781 558817866 /nfs/dbraw/zinc/81/78/66/558817866.db2.gz PRDUUZQUEIENRR-UHFFFAOYSA-N 1 1 423.340 4.861 40 0 HJABMO Cc1cnccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019239514 558858094 /nfs/dbraw/zinc/85/80/94/558858094.db2.gz HQGVALUAZOPNKE-OTWHNJEPSA-N 1 1 417.548 4.787 40 0 HJABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000019239787 558858494 /nfs/dbraw/zinc/85/84/94/558858494.db2.gz IGOBVXQWDYTMOJ-JOCHJYFZSA-N 1 1 423.511 4.918 40 0 HJABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000019239787 558858496 /nfs/dbraw/zinc/85/84/96/558858496.db2.gz IGOBVXQWDYTMOJ-JOCHJYFZSA-N 1 1 423.511 4.918 40 0 HJABMO O=C(NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCCC2)CC1)c1n[nH]cc1Cl ZINC000019369238 558877683 /nfs/dbraw/zinc/87/76/83/558877683.db2.gz LPXYLNCGFLCOQI-FQEVSTJZSA-N 1 1 414.981 4.621 40 0 HJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019370377 558878641 /nfs/dbraw/zinc/87/86/41/558878641.db2.gz RUFPBGWSYMMBBG-BKMJKUGQSA-N 1 1 417.528 4.533 40 0 HJABMO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]21 ZINC000019401841 558883800 /nfs/dbraw/zinc/88/38/00/558883800.db2.gz XIEOTXHFOJQSIT-DNVJHFABSA-N 1 1 409.599 4.540 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449598 558887958 /nfs/dbraw/zinc/88/79/58/558887958.db2.gz JNQPRHOUNYYZGN-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449558 558887967 /nfs/dbraw/zinc/88/79/67/558887967.db2.gz WFUPEHJVMOGTTL-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449647 558888229 /nfs/dbraw/zinc/88/82/29/558888229.db2.gz YCPRUTBGJVWZLL-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CCOc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019533177 558912990 /nfs/dbraw/zinc/91/29/90/558912990.db2.gz KSVUQSVOBZJVEV-LOSJGSFVSA-N 1 1 406.501 4.804 40 0 HJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019568960 558928037 /nfs/dbraw/zinc/92/80/37/558928037.db2.gz NCCGPZKAXYQFCC-XXBNENTESA-N 1 1 421.566 4.535 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 ZINC000072341443 558939782 /nfs/dbraw/zinc/93/97/82/558939782.db2.gz QCWKLVUBLXGGEI-IRLDBZIGSA-N 1 1 421.566 4.535 40 0 HJABMO CNc1cc([C@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 ZINC000019592281 558943339 /nfs/dbraw/zinc/94/33/39/558943339.db2.gz CMECGYQXJOWFFU-FQEVSTJZSA-N 1 1 410.525 4.508 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)c2cc(F)ccc21 ZINC000072353452 558950516 /nfs/dbraw/zinc/95/05/16/558950516.db2.gz VNVVSRIRXYWMSG-KRWDZBQOSA-N 1 1 416.504 4.626 40 0 HJABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c(C)n1 ZINC000072372461 558959942 /nfs/dbraw/zinc/95/99/42/558959942.db2.gz XWVQNJFULJLGNT-VWLOTQADSA-N 1 1 404.558 4.851 40 0 HJABMO CCn1ncc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c1C ZINC000019694355 558962706 /nfs/dbraw/zinc/96/27/06/558962706.db2.gz VDXSSUNNWWFJDM-JOCHJYFZSA-N 1 1 422.552 4.601 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072376050 558965185 /nfs/dbraw/zinc/96/51/85/558965185.db2.gz RGOGEKNNPFBWHA-NRFANRHFSA-N 1 1 415.541 4.867 40 0 HJABMO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000072376100 558965425 /nfs/dbraw/zinc/96/54/25/558965425.db2.gz SEHHMYICDGBTPP-HXUWFJFHSA-N 1 1 412.541 4.864 40 0 HJABMO Cc1cccnc1Nc1cncc([C@H]2CCC[N@H+]2Cc2cn(C)c3ccc(F)cc23)n1 ZINC000072376420 558965768 /nfs/dbraw/zinc/96/57/68/558965768.db2.gz CPOQGWDQNHFFAX-JOCHJYFZSA-N 1 1 416.504 4.892 40 0 HJABMO Cc1cccnc1Nc1cncc([C@H]2CCC[N@@H+]2Cc2cn(C)c3ccc(F)cc23)n1 ZINC000072376420 558965770 /nfs/dbraw/zinc/96/57/70/558965770.db2.gz CPOQGWDQNHFFAX-JOCHJYFZSA-N 1 1 416.504 4.892 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccccn3)[nH]n2)c1 ZINC000019703691 558967626 /nfs/dbraw/zinc/96/76/26/558967626.db2.gz NGBWHQAWJNXYNW-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccccn3)[nH]n2)c1 ZINC000019703691 558967627 /nfs/dbraw/zinc/96/76/27/558967627.db2.gz NGBWHQAWJNXYNW-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@@H+](C)C[C@@H](C)c2ccccc2)C1 ZINC000072395285 558974062 /nfs/dbraw/zinc/97/40/62/558974062.db2.gz PAQLLIFNTBUBHQ-TZIWHRDSSA-N 1 1 418.585 4.914 40 0 HJABMO O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000585261194 559108800 /nfs/dbraw/zinc/10/88/00/559108800.db2.gz CWXFRSJHZKIYLF-TWJOJJKGSA-N 1 1 404.529 4.510 40 0 HJABMO O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1[N@@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000585261194 559108801 /nfs/dbraw/zinc/10/88/01/559108801.db2.gz CWXFRSJHZKIYLF-TWJOJJKGSA-N 1 1 404.529 4.510 40 0 HJABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1c1ccc(CNC(C)=O)cn1 ZINC000585261841 559109499 /nfs/dbraw/zinc/10/94/99/559109499.db2.gz VGAVYXJTUKBZBU-VWLOTQADSA-N 1 1 415.537 4.730 40 0 HJABMO COc1ccccc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c2cccnc2[nH]c1C(C)C ZINC000100736605 559138836 /nfs/dbraw/zinc/13/88/36/559138836.db2.gz QTZNSODDRJGBOH-OXUKXLDXSA-N 1 1 405.542 4.710 40 0 HJABMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(CO)[C@@H]12 ZINC000118936394 559206604 /nfs/dbraw/zinc/20/66/04/559206604.db2.gz NMFWDNZLNHRNAT-WQTXETNISA-N 1 1 413.646 4.627 40 0 HJABMO Cc1cc(C)cc(-c2cccc(CC3(C(=O)N[C@@H]4CCC[N@H+](C)C4)CCOCC3)c2)c1 ZINC000257202995 559282475 /nfs/dbraw/zinc/28/24/75/559282475.db2.gz AOESKDGMSPQFTI-RUZDIDTESA-N 1 1 420.597 4.520 40 0 HJABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NCc2ccc3c(c2)OCO3)cc1OC ZINC000004848456 560610112 /nfs/dbraw/zinc/61/01/12/560610112.db2.gz RNEKVEPBJYPDAS-UHFFFAOYSA-N 1 1 417.465 4.668 40 0 HJABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccccc1 ZINC000017083293 560862348 /nfs/dbraw/zinc/86/23/48/560862348.db2.gz IGBKYCSQZFHQOU-UHFFFAOYSA-N 1 1 405.929 4.915 40 0 HJABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000005215581 568442618 /nfs/dbraw/zinc/44/26/18/568442618.db2.gz ZXPIQNFUJMPRQO-QGUKFAFCSA-N 1 1 422.569 4.619 40 0 HJABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000005215581 568442620 /nfs/dbraw/zinc/44/26/20/568442620.db2.gz ZXPIQNFUJMPRQO-QGUKFAFCSA-N 1 1 422.569 4.619 40 0 HJABMO CCOc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=[NH+]CCCCC2)cc1 ZINC000006870348 568462895 /nfs/dbraw/zinc/46/28/95/568462895.db2.gz NJJPUNRLEGHFEV-UHFFFAOYSA-N 1 1 410.514 4.764 40 0 HJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1c(F)cccc1Cl ZINC000216307463 568464291 /nfs/dbraw/zinc/46/42/91/568464291.db2.gz VVCWXQMIDOBUPP-UHFFFAOYSA-N 1 1 403.910 4.523 40 0 HJABMO COC(=O)c1cn(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c2ccccc12 ZINC000222639984 568521963 /nfs/dbraw/zinc/52/19/63/568521963.db2.gz WOCFWGHFMQDTGG-KRWDZBQOSA-N 1 1 410.901 4.634 40 0 HJABMO O=C(NCCOc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223414722 568548091 /nfs/dbraw/zinc/54/80/91/568548091.db2.gz KEPVXJDCXZRYQM-UHFFFAOYSA-N 1 1 420.940 4.707 40 0 HJABMO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000223415935 568548154 /nfs/dbraw/zinc/54/81/54/568548154.db2.gz QBKILIFEBQRMLY-UHFFFAOYSA-N 1 1 414.549 4.671 40 0 HJABMO Cc1cccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1C ZINC000223900148 568562463 /nfs/dbraw/zinc/56/24/63/568562463.db2.gz GMKWIQBUXGENOG-UHFFFAOYSA-N 1 1 414.549 4.671 40 0 HJABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1C ZINC000224550079 568584820 /nfs/dbraw/zinc/58/48/20/568584820.db2.gz HVONSCDXLWLFPK-UHFFFAOYSA-N 1 1 418.940 4.503 40 0 HJABMO Cc1ccc(-c2nnc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)s2)cc1 ZINC000224727082 568593808 /nfs/dbraw/zinc/59/38/08/568593808.db2.gz UVHUXBYOZKLUNR-SFHVURJKSA-N 1 1 410.518 4.503 40 0 HJABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000225458574 568639952 /nfs/dbraw/zinc/63/99/52/568639952.db2.gz NGYSQDYOWGNUGO-UHFFFAOYSA-N 1 1 406.555 4.989 40 0 HJABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCOCC4)cc3)CCCC2)cc1 ZINC000225513250 568645494 /nfs/dbraw/zinc/64/54/94/568645494.db2.gz JAVOMATYCRGLFC-UHFFFAOYSA-N 1 1 422.569 4.547 40 0 HJABMO O=C(NCCCOC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225586265 568654762 /nfs/dbraw/zinc/65/47/62/568654762.db2.gz CLSMREAUZJUWST-UHFFFAOYSA-N 1 1 410.961 4.547 40 0 HJABMO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2cc(C)ccc2C)C[C@@H]1Oc1ccccc1 ZINC000257215343 568780713 /nfs/dbraw/zinc/78/07/13/568780713.db2.gz CPRPQUDKZKOVIP-AHWVRZQESA-N 1 1 424.585 4.707 40 0 HJABMO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2cc(C)ccc2C)C[C@@H]1Oc1ccccc1 ZINC000257215343 568780714 /nfs/dbraw/zinc/78/07/14/568780714.db2.gz CPRPQUDKZKOVIP-AHWVRZQESA-N 1 1 424.585 4.707 40 0 HJABMO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)[nH]n1 ZINC000257248599 568789859 /nfs/dbraw/zinc/78/98/59/568789859.db2.gz JEJHSKXBPKFBPZ-CAIUVPPLSA-N 1 1 420.601 4.622 40 0 HJABMO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@@H]3Cc2ccccc2)n[nH]1 ZINC000257248599 568789861 /nfs/dbraw/zinc/78/98/61/568789861.db2.gz JEJHSKXBPKFBPZ-CAIUVPPLSA-N 1 1 420.601 4.622 40 0 HJABMO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)n[nH]1 ZINC000257248599 568789862 /nfs/dbraw/zinc/78/98/62/568789862.db2.gz JEJHSKXBPKFBPZ-CAIUVPPLSA-N 1 1 420.601 4.622 40 0 HJABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc[nH+]c(NCc3ccccc3)n1)CC2 ZINC000329060628 568975055 /nfs/dbraw/zinc/97/50/55/568975055.db2.gz WMYGLESTIONLSA-UHFFFAOYSA-N 1 1 400.404 4.550 40 0 HJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000247848265 569315536 /nfs/dbraw/zinc/31/55/36/569315536.db2.gz HVAAQCQXBXDJRA-PLXFJCCSSA-N 1 1 403.570 4.550 40 0 HJABMO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000247948580 569315802 /nfs/dbraw/zinc/31/58/02/569315802.db2.gz KVVHGIDFPXOQHE-KDYSTLNUSA-N 1 1 413.565 4.533 40 0 HJABMO c1ccc(C[N@H+]2CC[C@@H](NCc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1 ZINC000012113171 569344646 /nfs/dbraw/zinc/34/46/46/569344646.db2.gz KXBHLDGIMNJBAC-DNQXCXABSA-N 1 1 400.522 4.563 40 0 HJABMO c1ccc(C[N@@H+]2CC[C@@H](NCc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1 ZINC000012113171 569344647 /nfs/dbraw/zinc/34/46/47/569344647.db2.gz KXBHLDGIMNJBAC-DNQXCXABSA-N 1 1 400.522 4.563 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000019292888 569345360 /nfs/dbraw/zinc/34/53/60/569345360.db2.gz AYRYYEHYEXSHNL-MAUKXSAKSA-N 1 1 424.397 4.929 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000019292888 569345361 /nfs/dbraw/zinc/34/53/61/569345361.db2.gz AYRYYEHYEXSHNL-MAUKXSAKSA-N 1 1 424.397 4.929 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019555107 569345667 /nfs/dbraw/zinc/34/56/67/569345667.db2.gz PAWMKIITWCDBRX-AUSIDOKSSA-N 1 1 421.566 4.535 40 0 HJABMO CCC[N@H+]1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 ZINC000019705438 569347994 /nfs/dbraw/zinc/34/79/94/569347994.db2.gz LBRJEIZTYULPJM-NRFANRHFSA-N 1 1 408.995 4.810 40 0 HJABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1cccc(C)c1 ZINC000019713520 569348358 /nfs/dbraw/zinc/34/83/58/569348358.db2.gz BMLVSLMGGZTAGJ-RPBOFIJWSA-N 1 1 422.617 4.935 40 0 HJABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1CCOc1ccccc1 ZINC000019738739 569348602 /nfs/dbraw/zinc/34/86/02/569348602.db2.gz GVNOERWHFFLDMY-HSZRJFAPSA-N 1 1 402.604 4.793 40 0 HJABMO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855214 569351991 /nfs/dbraw/zinc/35/19/91/569351991.db2.gz FEHJMIGOEQMILR-UGKGYDQZSA-N 1 1 410.533 4.765 40 0 HJABMO CCOc1cccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000020483578 521356678 /nfs/dbraw/zinc/35/66/78/521356678.db2.gz NNYOWRCTZZQVJK-UHFFFAOYSA-N 1 1 400.522 4.574 40 0 HJABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000044939830 521509514 /nfs/dbraw/zinc/50/95/14/521509514.db2.gz KFEOYCLDGTWTLK-MRXNPFEDSA-N 1 1 418.896 4.507 40 0 HJABMO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 ZINC000044855569 525587290 /nfs/dbraw/zinc/58/72/90/525587290.db2.gz RLBRFBLRJFYDAH-WZONZLPQSA-N 1 1 422.569 4.959 40 0 HJABMO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408608020 557521972 /nfs/dbraw/zinc/52/19/72/557521972.db2.gz LTVTTZADOYHOPS-SANMLTNESA-N 1 1 410.561 4.868 40 0 HJABMO CCCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000408629268 557564104 /nfs/dbraw/zinc/56/41/04/557564104.db2.gz TXKUBJMIMRCBMB-UHFFFAOYSA-N 1 1 401.938 4.523 40 0 HJABMO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039767865 558686151 /nfs/dbraw/zinc/68/61/51/558686151.db2.gz LPGREHVJWPBYCV-UHFFFAOYSA-N 1 1 418.896 4.507 40 0 HJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c(OC)c1 ZINC000038834644 558817740 /nfs/dbraw/zinc/81/77/40/558817740.db2.gz LENLNXUDFYPOGJ-CQSZACIVSA-N 1 1 423.340 4.861 40 0 HJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c(OC)c1 ZINC000038834644 558817743 /nfs/dbraw/zinc/81/77/43/558817743.db2.gz LENLNXUDFYPOGJ-CQSZACIVSA-N 1 1 423.340 4.861 40 0 HJABMO O=C(NCCSCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038836994 558818182 /nfs/dbraw/zinc/81/81/82/558818182.db2.gz IXNHLSUTNVCVPI-HXUWFJFHSA-N 1 1 402.991 4.602 40 0 HJABMO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038848835 558818278 /nfs/dbraw/zinc/81/82/78/558818278.db2.gz ZWQMYOQNVQDOHU-UHFFFAOYSA-N 1 1 407.341 4.530 40 0 HJABMO O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038848488 558818339 /nfs/dbraw/zinc/81/83/39/558818339.db2.gz POOQJOPODHSENP-LJQANCHMSA-N 1 1 420.981 4.741 40 0 HJABMO Cc1ccccc1CSCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038852958 558819081 /nfs/dbraw/zinc/81/90/81/558819081.db2.gz GGMUDCCADSRRHY-FQEVSTJZSA-N 1 1 417.018 4.910 40 0 HJABMO CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038855171 558819245 /nfs/dbraw/zinc/81/92/45/558819245.db2.gz WVBDWYJDVXQJES-IBGZPJMESA-N 1 1 407.558 4.557 40 0 HJABMO CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3cc[nH+]c3C)cc1)CCCC2 ZINC000038857852 558819564 /nfs/dbraw/zinc/81/95/64/558819564.db2.gz JDEGQWJQEQVJAB-UHFFFAOYSA-N 1 1 423.538 4.609 40 0 HJABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccccc3F)CC[C@H]21 ZINC000019081652 558839835 /nfs/dbraw/zinc/83/98/35/558839835.db2.gz ZTWPWFFKHDSGNX-SFHLNBCPSA-N 1 1 400.563 4.750 40 0 HJABMO COc1ccc(C)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccncc1 ZINC000019133575 558845843 /nfs/dbraw/zinc/84/58/43/558845843.db2.gz DUJVKJIZLOUFLE-VWLOTQADSA-N 1 1 404.510 4.564 40 0 HJABMO COc1ccc(C)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccncc1 ZINC000019133575 558845844 /nfs/dbraw/zinc/84/58/44/558845844.db2.gz DUJVKJIZLOUFLE-VWLOTQADSA-N 1 1 404.510 4.564 40 0 HJABMO c1csc([C@H](Cc2ccsc2)[NH2+]Cc2cccc(OC[C@@H]3CCCO3)c2)n1 ZINC000019330939 558868141 /nfs/dbraw/zinc/86/81/41/558868141.db2.gz AHAJRUKAXIWTCL-PMACEKPBSA-N 1 1 400.569 4.836 40 0 HJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019370365 558878530 /nfs/dbraw/zinc/87/85/30/558878530.db2.gz DEONCXUXOAKGMU-ATIYNZHBSA-N 1 1 417.528 4.533 40 0 HJABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019376083 558882328 /nfs/dbraw/zinc/88/23/28/558882328.db2.gz BHBOGBVOYMTWLL-IBGZPJMESA-N 1 1 418.541 4.665 40 0 HJABMO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cn1 ZINC000019524925 558906341 /nfs/dbraw/zinc/90/63/41/558906341.db2.gz DESUMKVPZYPBQS-FQEVSTJZSA-N 1 1 410.518 4.693 40 0 HJABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cn1 ZINC000019524925 558906344 /nfs/dbraw/zinc/90/63/44/558906344.db2.gz DESUMKVPZYPBQS-FQEVSTJZSA-N 1 1 410.518 4.693 40 0 HJABMO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)ccc1O ZINC000019550068 558914953 /nfs/dbraw/zinc/91/49/53/558914953.db2.gz MGNDMDWSGXFISA-LJQANCHMSA-N 1 1 422.481 4.902 40 0 HJABMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)ccc1O ZINC000019550068 558914956 /nfs/dbraw/zinc/91/49/56/558914956.db2.gz MGNDMDWSGXFISA-LJQANCHMSA-N 1 1 422.481 4.902 40 0 HJABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019568963 558928094 /nfs/dbraw/zinc/92/80/94/558928094.db2.gz NCCGPZKAXYQFCC-AUSIDOKSSA-N 1 1 421.566 4.535 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000072341435 558939737 /nfs/dbraw/zinc/93/97/37/558939737.db2.gz ZGFPMJITQAXRLK-FPOVZHCZSA-N 1 1 409.530 4.666 40 0 HJABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072354060 558951458 /nfs/dbraw/zinc/95/14/58/558951458.db2.gz KPYSFICOWAHIOT-XMMPIXPASA-N 1 1 416.569 4.590 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000072358133 558953881 /nfs/dbraw/zinc/95/38/81/558953881.db2.gz DVAYMWBIQPAICT-NRFANRHFSA-N 1 1 400.448 4.762 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c1C ZINC000019687434 558957262 /nfs/dbraw/zinc/95/72/62/558957262.db2.gz JTNCHDMFSWPXBR-OAQYLSRUSA-N 1 1 424.980 4.725 40 0 HJABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](C/C(C)=C/c3ccccc3)C2)[nH]n1 ZINC000072371558 558958423 /nfs/dbraw/zinc/95/84/23/558958423.db2.gz CTKUNJVSUCVAOV-QMZMWQIVSA-N 1 1 417.553 4.933 40 0 HJABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@H+](C/C(C)=C/c3ccccc3)C2)n[nH]1 ZINC000072371558 558958424 /nfs/dbraw/zinc/95/84/24/558958424.db2.gz CTKUNJVSUCVAOV-QMZMWQIVSA-N 1 1 417.553 4.933 40 0 HJABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](C/C(C)=C/c3ccccc3)C2)n[nH]1 ZINC000072371558 558958425 /nfs/dbraw/zinc/95/84/25/558958425.db2.gz CTKUNJVSUCVAOV-QMZMWQIVSA-N 1 1 417.553 4.933 40 0 HJABMO COc1cccc(C(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)c1 ZINC000072372467 558959952 /nfs/dbraw/zinc/95/99/52/558959952.db2.gz HUNSMGBVVXBBNB-JOCHJYFZSA-N 1 1 417.513 4.526 40 0 HJABMO CCn1cc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 ZINC000019694630 558963328 /nfs/dbraw/zinc/96/33/28/558963328.db2.gz JEZGAKYJJQGKNG-NRFANRHFSA-N 1 1 424.980 4.807 40 0 HJABMO CCn1cc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 ZINC000019694630 558963332 /nfs/dbraw/zinc/96/33/32/558963332.db2.gz JEZGAKYJJQGKNG-NRFANRHFSA-N 1 1 424.980 4.807 40 0 HJABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)cc1CO ZINC000072375813 558964811 /nfs/dbraw/zinc/96/48/11/558964811.db2.gz VDVIIUIFCAMUDZ-JOCHJYFZSA-N 1 1 418.541 4.757 40 0 HJABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393720 558973077 /nfs/dbraw/zinc/97/30/77/558973077.db2.gz JORVYSRPPYSVKV-OOEJVQDLSA-N 1 1 405.542 4.710 40 0 HJABMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3c3ccc(C(N)=O)c(C)n3)c2)cc1 ZINC000019711144 558973224 /nfs/dbraw/zinc/97/32/24/558973224.db2.gz AQPJOVNHMACDRM-XMMPIXPASA-N 1 1 401.510 4.502 40 0 HJABMO COc1ccc(-c2nc(C(=O)Nc3ccccc3Cn3cc[nH+]c3C)cs2)cc1 ZINC000019717290 558979851 /nfs/dbraw/zinc/97/98/51/558979851.db2.gz OUAXGHKQNDCRTN-UHFFFAOYSA-N 1 1 404.495 4.624 40 0 HJABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 ZINC000096315923 559109686 /nfs/dbraw/zinc/10/96/86/559109686.db2.gz OKDWTPCTOVUPTH-HSZRJFAPSA-N 1 1 417.557 4.731 40 0 HJABMO O=C(CSCc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408867081 560648509 /nfs/dbraw/zinc/64/85/09/560648509.db2.gz JFMHFFLMJNIAHA-UHFFFAOYSA-N 1 1 416.590 4.854 40 0 HJABMO O=C(CCc1ccccc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000196393655 560885176 /nfs/dbraw/zinc/88/51/76/560885176.db2.gz OVDCKAUNMKUJBV-UHFFFAOYSA-N 1 1 402.513 4.692 40 0 HJABMO CC(C)c1ccccc1OCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223826280 568560065 /nfs/dbraw/zinc/56/00/65/568560065.db2.gz CUSSSVWTAGNGAN-HXUWFJFHSA-N 1 1 414.977 4.871 40 0 HJABMO CCn1c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2sc1=O ZINC000225105293 568614808 /nfs/dbraw/zinc/61/48/08/568614808.db2.gz KJCKFEUDLLRYJZ-MRXNPFEDSA-N 1 1 409.555 4.567 40 0 HJABMO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000225573889 568652819 /nfs/dbraw/zinc/65/28/19/568652819.db2.gz PDGNBCRMSIXDOA-OAHLLOKOSA-N 1 1 404.913 4.577 40 0 HJABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)cc1 ZINC000225583466 568654159 /nfs/dbraw/zinc/65/41/59/568654159.db2.gz LJNSICWJMBKQJA-JOCHJYFZSA-N 1 1 418.940 4.967 40 0 HJABMO CO[C@@]1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225635635 568658928 /nfs/dbraw/zinc/65/89/28/568658928.db2.gz NIUCCHZYCQURBK-FDGPYGQJSA-N 1 1 402.579 4.577 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225635661 568659035 /nfs/dbraw/zinc/65/90/35/568659035.db2.gz NIUCCHZYCQURBK-MTXNFPGFSA-N 1 1 402.579 4.577 40 0 HJABMO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225672951 568662729 /nfs/dbraw/zinc/66/27/29/568662729.db2.gz MYVNTALTXNSVKF-CYFREDJKSA-N 1 1 402.579 4.864 40 0 HJABMO O=C1CC2(CC[NH+](Cc3ccccc3F)CC2)Oc2ccc(Br)cc21 ZINC000225822890 568677756 /nfs/dbraw/zinc/67/77/56/568677756.db2.gz CINMAYIUCJSNBR-UHFFFAOYSA-N 1 1 404.279 4.588 40 0 HJABMO CCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260812498 568739987 /nfs/dbraw/zinc/73/99/87/568739987.db2.gz DFNLXPQWIMXCRU-YOSAUDMPSA-N 1 1 402.579 4.864 40 0 HJABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260816906 568740646 /nfs/dbraw/zinc/74/06/46/568740646.db2.gz RVSBWLFEKMIUQC-FQEVSTJZSA-N 1 1 402.579 4.865 40 0 HJABMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000247867237 568745880 /nfs/dbraw/zinc/74/58/80/568745880.db2.gz JLXOAABJPNYWPB-CLLDFNAGSA-N 1 1 418.585 4.555 40 0 HJABMO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000257216746 568780979 /nfs/dbraw/zinc/78/09/79/568780979.db2.gz CVWVFQBLLQIQDR-SFHVURJKSA-N 1 1 422.598 4.942 40 0 HJABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257278541 568798106 /nfs/dbraw/zinc/79/81/06/568798106.db2.gz OCQOVHDSJUJJIF-IBGZPJMESA-N 1 1 424.589 4.511 40 0 HJABMO CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cc[nH+]c5C)cc4)OCC[C@@]31C2 ZINC000257298284 568803989 /nfs/dbraw/zinc/80/39/89/568803989.db2.gz RLAZNLPXGRKXCW-VSCLMIGZSA-N 1 1 421.585 4.979 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)c1C ZINC000257315498 568808974 /nfs/dbraw/zinc/80/89/74/568808974.db2.gz VBRNYFMXNYRRPX-GOSISDBHSA-N 1 1 410.591 4.803 40 0 HJABMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H](CC)CO)cc1 ZINC000001447730 568930651 /nfs/dbraw/zinc/93/06/51/568930651.db2.gz PCOCZDLXNHUKPS-SFHVURJKSA-N 1 1 402.498 4.669 40 0 HJABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C(C)C)[nH+]1)C2 ZINC000328961924 568969987 /nfs/dbraw/zinc/96/99/87/568969987.db2.gz BFENBYOBQBAASZ-UHFFFAOYSA-N 1 1 416.525 4.561 40 0 HJABMO O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199332 569059019 /nfs/dbraw/zinc/05/90/19/569059019.db2.gz ZXJAOWMVDHPZJN-OFPDSVIMSA-N 1 1 403.570 4.522 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019570219 569345815 /nfs/dbraw/zinc/34/58/15/569345815.db2.gz ABLIGMZVMXTMTD-ATIYNZHBSA-N 1 1 421.585 4.740 40 0 HJABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2Cl)CC1 ZINC000006241883 132309774 /nfs/dbraw/zinc/30/97/74/132309774.db2.gz ZSTRSFVWURSHAD-UHFFFAOYSA-N 1 1 423.944 4.653 40 0 HJABMO CC(C)c1cc(C(=O)Nc2nnc(CC[N@H+]3CCc4ccccc4C3)s2)cs1 ZINC000072391484 519832871 /nfs/dbraw/zinc/83/28/71/519832871.db2.gz PZGAVKKHVLBCTP-UHFFFAOYSA-N 1 1 412.584 4.576 40 0 HJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc3c(cc2Cl)OCO3)s1 ZINC000043277877 524406356 /nfs/dbraw/zinc/40/63/56/524406356.db2.gz KMXVHEYKMVYNSC-UHFFFAOYSA-N 1 1 403.935 4.728 40 0 HJABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(F)cc1 ZINC000044934181 524912299 /nfs/dbraw/zinc/91/22/99/524912299.db2.gz ZOMKIIUOQZMJJK-HNNXBMFYSA-N 1 1 419.338 4.678 40 0 HJABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044908885 525418465 /nfs/dbraw/zinc/41/84/65/525418465.db2.gz YDSDOOBGRWNYDE-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1cc(-c2ccc(F)cc2)on1 ZINC000225900746 527677652 /nfs/dbraw/zinc/67/76/52/527677652.db2.gz SIBUMCVKWZSBBO-UHFFFAOYSA-N 1 1 424.863 4.914 40 0 HJABMO CCC1=C(C[C@H]2[NH2+]CCc3ccccc32)C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C1 ZINC000003954405 557503645 /nfs/dbraw/zinc/50/36/45/557503645.db2.gz HDIJLRXRAJUXQB-RPBOFIJWSA-N 1 1 418.581 4.990 40 0 in-vivo HJABMO CCC1=C(C[C@H]2[NH2+]CCc3ccccc32)C[C@H]2c3cc(OC)c(OC)cc3CCN2C1 ZINC000003954405 557503649 /nfs/dbraw/zinc/50/36/49/557503649.db2.gz HDIJLRXRAJUXQB-RPBOFIJWSA-N 1 1 418.581 4.990 40 0 in-vivo HJABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(C)C ZINC000035329254 557692442 /nfs/dbraw/zinc/69/24/42/557692442.db2.gz CLZOMGQXEBVGBX-UHFFFAOYSA-N 1 1 412.599 4.613 40 0 HJABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccccc1 ZINC000007274911 557738634 /nfs/dbraw/zinc/73/86/34/557738634.db2.gz BOFNYKYHQQDABE-UHFFFAOYSA-N 1 1 413.315 4.722 40 0 HJABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)ncc1C(=O)N(C)C ZINC000019765615 558278069 /nfs/dbraw/zinc/27/80/69/558278069.db2.gz FFJNRVXCSICSFD-DEOSSOPVSA-N 1 1 414.553 4.881 40 0 HJABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)ncc1C(=O)N(C)C ZINC000019765615 558278071 /nfs/dbraw/zinc/27/80/71/558278071.db2.gz FFJNRVXCSICSFD-DEOSSOPVSA-N 1 1 414.553 4.881 40 0 HJABMO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020042553 558326268 /nfs/dbraw/zinc/32/62/68/558326268.db2.gz PYOKJJNUOGAENT-MOPGFXCFSA-N 1 1 407.558 4.699 40 0 HJABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)C1 ZINC000030754274 558736759 /nfs/dbraw/zinc/73/67/59/558736759.db2.gz DEWYIADKEMBQMB-GASCZTMLSA-N 1 1 403.419 4.711 40 0 HJABMO COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000030939003 558745078 /nfs/dbraw/zinc/74/50/78/558745078.db2.gz RPNOUINJHCWNDK-INIZCTEOSA-N 1 1 421.324 4.631 40 0 HJABMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000016681519 558799243 /nfs/dbraw/zinc/79/92/43/558799243.db2.gz KAJLTBXFUNYEBT-BJMVGYQFSA-N 1 1 404.341 4.787 40 0 HJABMO O=c1c(C[N@@H+](CCCn2ccnc2)C[C@@H]2CC=CCC2)coc2ccc(Cl)cc12 ZINC000036740217 558801718 /nfs/dbraw/zinc/80/17/18/558801718.db2.gz VGHVKCYAPNNSQC-GOSISDBHSA-N 1 1 411.933 4.892 40 0 HJABMO O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038836875 558818112 /nfs/dbraw/zinc/81/81/12/558818112.db2.gz SRNSUDAEPCHPEO-KRWDZBQOSA-N 1 1 406.954 4.600 40 0 HJABMO Cc1ccc(SCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038836633 558818132 /nfs/dbraw/zinc/81/81/32/558818132.db2.gz CXNGCSIBJPAQOL-LJQANCHMSA-N 1 1 402.991 4.769 40 0 HJABMO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038848836 558818327 /nfs/dbraw/zinc/81/83/27/558818327.db2.gz MKAMAVISMNNWRU-UHFFFAOYSA-N 1 1 407.341 4.530 40 0 HJABMO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038852215 558819084 /nfs/dbraw/zinc/81/90/84/558819084.db2.gz DPTLJIPLVLCEOK-UHFFFAOYSA-N 1 1 403.419 4.853 40 0 HJABMO COc1cccc(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)c1 ZINC000019081637 558839737 /nfs/dbraw/zinc/83/97/37/558839737.db2.gz DBJVJNPRZYHHFO-YPAWHYETSA-N 1 1 412.599 4.619 40 0 HJABMO COc1ccc(-c2ncc(C[NH2+][C@@H](Cc3ccsc3)c3ncccc3C)cn2)cc1 ZINC000019237662 558856746 /nfs/dbraw/zinc/85/67/46/558856746.db2.gz VJRQWYFJLWVRCE-QFIPXVFZSA-N 1 1 416.550 4.991 40 0 HJABMO Cc1[nH+]ccn1CCCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000019288130 558861266 /nfs/dbraw/zinc/86/12/66/558861266.db2.gz ZCWGNYZENHSZMK-UHFFFAOYSA-N 1 1 409.342 4.965 40 0 HJABMO c1csc([C@@H](Cc2ccsc2)[NH2+]Cc2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000019330943 558868246 /nfs/dbraw/zinc/86/82/46/558868246.db2.gz AHAJRUKAXIWTCL-WOJBJXKFSA-N 1 1 400.569 4.836 40 0 HJABMO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019370914 558878960 /nfs/dbraw/zinc/87/89/60/558878960.db2.gz TWANSWJNDYJRDR-RDGATRHJSA-N 1 1 419.594 4.845 40 0 HJABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)no2)CC1 ZINC000019496761 558895745 /nfs/dbraw/zinc/89/57/45/558895745.db2.gz AXTQJAJKVWKLGU-SFHVURJKSA-N 1 1 401.938 4.580 40 0 HJABMO COc1ccc(-c2[nH]c3ncccc3c2C[N@@H+](C)CCOc2ccccc2OC)cc1 ZINC000019586178 558939388 /nfs/dbraw/zinc/93/93/88/558939388.db2.gz CKMKLWUXZPSLTN-UHFFFAOYSA-N 1 1 417.509 4.758 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000072341431 558939766 /nfs/dbraw/zinc/93/97/66/558939766.db2.gz UXJCZIUQOCKKTN-XLIONFOSSA-N 1 1 419.541 4.681 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000072341431 558939767 /nfs/dbraw/zinc/93/97/67/558939767.db2.gz UXJCZIUQOCKKTN-XLIONFOSSA-N 1 1 419.541 4.681 40 0 HJABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 ZINC000072350214 558947053 /nfs/dbraw/zinc/94/70/53/558947053.db2.gz LGAMKLRJYADPFK-HXUWFJFHSA-N 1 1 411.977 4.516 40 0 HJABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(NC(C)=O)cc2)n1 ZINC000072358115 558953918 /nfs/dbraw/zinc/95/39/18/558953918.db2.gz IKENOUOBJCEGSY-VWLOTQADSA-N 1 1 415.537 4.977 40 0 HJABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370311 558956666 /nfs/dbraw/zinc/95/66/66/558956666.db2.gz TVADSVYPSZBPQB-QGZVFWFLSA-N 1 1 410.587 4.602 40 0 HJABMO CCOc1ccc(COC)cc1C[N@H+]1CCC[C@H]1c1cc(-c2cncnc2)cc(C)n1 ZINC000019690824 558960281 /nfs/dbraw/zinc/96/02/81/558960281.db2.gz MBNNBSWUIDWZDR-DEOSSOPVSA-N 1 1 418.541 4.729 40 0 HJABMO Cc1nc2ccccc2n1Cc1cc(N[C@H](C)c2ccc(OC(C)C)cc2)nc(N)[nH+]1 ZINC000072373260 558961129 /nfs/dbraw/zinc/96/11/29/558961129.db2.gz RQECUMUOJCDELF-MRXNPFEDSA-N 1 1 416.529 4.726 40 0 HJABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000019702210 558967474 /nfs/dbraw/zinc/96/74/74/558967474.db2.gz KXZDMDMWAREAJA-QGZVFWFLSA-N 1 1 416.550 4.536 40 0 HJABMO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1)C1CCCC1 ZINC000072399247 558976807 /nfs/dbraw/zinc/97/68/07/558976807.db2.gz RYPPUBRNTDJGSZ-QHCPKHFHSA-N 1 1 413.512 4.620 40 0 HJABMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCC[N@H+]2C[C@H]2CCCO2)CC1 ZINC000585100118 559023786 /nfs/dbraw/zinc/02/37/86/559023786.db2.gz FZISPMPHDNIOLO-GJZUVCINSA-N 1 1 423.601 4.517 40 0 HJABMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)nc2ccccn12 ZINC000585100550 559023991 /nfs/dbraw/zinc/02/39/91/559023991.db2.gz NGRVDAGLTFMDFM-RUZDIDTESA-N 1 1 408.590 4.570 40 0 HJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000585165361 559066430 /nfs/dbraw/zinc/06/64/30/559066430.db2.gz FTENZSJDWILLJD-HXUWFJFHSA-N 1 1 422.960 4.715 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1 ZINC000585289454 559122405 /nfs/dbraw/zinc/12/24/05/559122405.db2.gz GVMPUAYGMGQJAJ-INIZCTEOSA-N 1 1 418.419 4.539 40 0 HJABMO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009062744 560757320 /nfs/dbraw/zinc/75/73/20/560757320.db2.gz AXLOOTOVQHIEKY-UHFFFAOYSA-N 1 1 418.940 4.795 40 0 HJABMO O=C(/C=C/c1ccco1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000017092847 560867420 /nfs/dbraw/zinc/86/74/20/560867420.db2.gz RRTCXXGDSRQLIZ-VAWYXSNFSA-N 1 1 421.928 4.907 40 0 HJABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000005215583 568442747 /nfs/dbraw/zinc/44/27/47/568442747.db2.gz ZXPIQNFUJMPRQO-NYMACZPPSA-N 1 1 422.569 4.619 40 0 HJABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000005215583 568442749 /nfs/dbraw/zinc/44/27/49/568442749.db2.gz ZXPIQNFUJMPRQO-NYMACZPPSA-N 1 1 422.569 4.619 40 0 HJABMO Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)n2)c1 ZINC000219241276 568488398 /nfs/dbraw/zinc/48/83/98/568488398.db2.gz IKOABMAOSVZAPD-LJQANCHMSA-N 1 1 418.541 4.549 40 0 HJABMO COc1ccc2c(c1)N[C@]1(CCC[N@@H+](CCCOc3ccccc3)C1)c1cccn1-2 ZINC000057719910 568496128 /nfs/dbraw/zinc/49/61/28/568496128.db2.gz MLZWUHLYRUKOGD-VWLOTQADSA-N 1 1 403.526 4.672 40 0 HJABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 ZINC000057776092 568497592 /nfs/dbraw/zinc/49/75/92/568497592.db2.gz RYRHRYSOOYIWDJ-GOSISDBHSA-N 1 1 411.977 4.785 40 0 HJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)C1 ZINC000223547604 568551511 /nfs/dbraw/zinc/55/15/11/568551511.db2.gz LBJYCKTZCYFQMP-HXUWFJFHSA-N 1 1 402.538 4.881 40 0 HJABMO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225583133 568654278 /nfs/dbraw/zinc/65/42/78/568654278.db2.gz IQLAYQUEKMPZQH-OAHLLOKOSA-N 1 1 404.913 4.577 40 0 HJABMO CCO[C@@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225715171 568666997 /nfs/dbraw/zinc/66/69/97/568666997.db2.gz GWWAIPLRLWPOJE-REHUZNOOSA-N 1 1 402.579 4.721 40 0 HJABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 ZINC000225736756 568669781 /nfs/dbraw/zinc/66/97/81/568669781.db2.gz VUUSOWIZNLYDSB-GFCCVEGCSA-N 1 1 404.805 4.511 40 0 HJABMO S=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc(OC2CCCC2)cc1 ZINC000225744014 568670621 /nfs/dbraw/zinc/67/06/21/568670621.db2.gz HNHUJSFJMGXYTM-UHFFFAOYSA-N 1 1 409.599 4.743 40 0 HJABMO O=C1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccc(Br)cc21 ZINC000225822914 568677717 /nfs/dbraw/zinc/67/77/17/568677717.db2.gz GBUOBYJKPXSOTP-UHFFFAOYSA-N 1 1 404.279 4.588 40 0 HJABMO COc1cccc(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000225910756 568685380 /nfs/dbraw/zinc/68/53/80/568685380.db2.gz DXCWXHDLNRODRX-OAHLLOKOSA-N 1 1 407.341 4.877 40 0 HJABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000260822773 568740436 /nfs/dbraw/zinc/74/04/36/568740436.db2.gz ABWVONLBYQGXMU-WMZOPIPTSA-N 1 1 413.359 4.639 40 0 HJABMO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257200835 568776416 /nfs/dbraw/zinc/77/64/16/568776416.db2.gz AFBRQQILKLANJA-KRWDZBQOSA-N 1 1 419.504 4.566 40 0 HJABMO CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cc[nH+]c5C)cc4)OCC[C@@]31C2 ZINC000257226590 568783907 /nfs/dbraw/zinc/78/39/07/568783907.db2.gz FLGWSNUOCXMSOD-GNCQFOQZSA-N 1 1 407.558 4.589 40 0 HJABMO CN(C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)C1CCCCC1 ZINC000257227120 568784079 /nfs/dbraw/zinc/78/40/79/568784079.db2.gz FNUHHFPIJJFIAV-IBGZPJMESA-N 1 1 420.557 4.940 40 0 HJABMO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)nc1C ZINC000257236624 568786773 /nfs/dbraw/zinc/78/67/73/568786773.db2.gz HCZWPYRIUGRWDZ-HSZRJFAPSA-N 1 1 422.617 4.617 40 0 HJABMO Cc1nc([C@@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1CCOc1ccc(F)cc1 ZINC000257279691 568798341 /nfs/dbraw/zinc/79/83/41/568798341.db2.gz OHTOBRPVVOWRKX-HSZRJFAPSA-N 1 1 418.578 4.828 40 0 HJABMO O=C(/C=C/c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000257302617 568805051 /nfs/dbraw/zinc/80/50/51/568805051.db2.gz SDOKZHSLGWDMED-HGMGIVORSA-N 1 1 400.566 4.993 40 0 HJABMO CC(C)n1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306130629 568893249 /nfs/dbraw/zinc/89/32/49/568893249.db2.gz JLNMDLPSEZSXKX-NRFANRHFSA-N 1 1 418.520 4.692 40 0 HJABMO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccco4)C3)nn2c1 ZINC000306134211 568895990 /nfs/dbraw/zinc/89/59/90/568895990.db2.gz NFTOKLJOVKHYBP-QGZVFWFLSA-N 1 1 406.461 4.517 40 0 HJABMO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccoc4)C3)nn2c1 ZINC000306134299 568896328 /nfs/dbraw/zinc/89/63/28/568896328.db2.gz NIJKOVCAXMHYHE-GOSISDBHSA-N 1 1 406.461 4.517 40 0 HJABMO c1coc(C[N@H+]2CC[C@]3(c4ccccc4)CCc4ncc(-c5ccncc5)n4C[C@H]23)c1 ZINC000306141508 568903019 /nfs/dbraw/zinc/90/30/19/568903019.db2.gz VYQVBDIBROBISY-AHWVRZQESA-N 1 1 410.521 4.697 40 0 HJABMO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1 ZINC000004785550 569071504 /nfs/dbraw/zinc/07/15/04/569071504.db2.gz UCRIIXJATPHSML-YZIHRLCOSA-N 1 1 408.586 4.732 40 0 HJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000247848270 569315543 /nfs/dbraw/zinc/31/55/43/569315543.db2.gz HVAAQCQXBXDJRA-UMFSSWHCSA-N 1 1 403.570 4.550 40 0 HJABMO CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@H+](C)C[C@H](C)c2ccccc2)C1 ZINC000248127863 569316442 /nfs/dbraw/zinc/31/64/42/569316442.db2.gz PKBNUEFQKBVAND-RXVVDRJESA-N 1 1 404.558 4.524 40 0 HJABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)n[nH]2)cc1 ZINC000019704269 569347569 /nfs/dbraw/zinc/34/75/69/569347569.db2.gz WDBHFFVNRRPQNS-HXUWFJFHSA-N 1 1 419.573 4.563 40 0 HJABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)[nH]n2)cc1 ZINC000019704269 569347570 /nfs/dbraw/zinc/34/75/70/569347570.db2.gz WDBHFFVNRRPQNS-HXUWFJFHSA-N 1 1 419.573 4.563 40 0 HJABMO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)[nH]n2)cc1 ZINC000019704269 569347571 /nfs/dbraw/zinc/34/75/71/569347571.db2.gz WDBHFFVNRRPQNS-HXUWFJFHSA-N 1 1 419.573 4.563 40 0 HJABMO Cc1nc([C@@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705242 569347883 /nfs/dbraw/zinc/34/78/83/569347883.db2.gz RJMVGMWVBYADFM-JOCHJYFZSA-N 1 1 422.541 4.925 40 0 HJABMO CC(C)n1c2ccccc2nc1C[N@H+]1[C@@H](c2ccccc2)C[C@@H]2NC(=O)CCC[C@H]21 ZINC000019713811 569348474 /nfs/dbraw/zinc/34/84/74/569348474.db2.gz RSVRVGJGLSNOLA-QZNHQXDQSA-N 1 1 402.542 4.602 40 0 HJABMO CC(C)n1c2ccccc2nc1C[N@@H+]1[C@@H](c2ccccc2)C[C@@H]2NC(=O)CCC[C@H]21 ZINC000019713811 569348475 /nfs/dbraw/zinc/34/84/75/569348475.db2.gz RSVRVGJGLSNOLA-QZNHQXDQSA-N 1 1 402.542 4.602 40 0 HJABMO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036092711 569351674 /nfs/dbraw/zinc/35/16/74/569351674.db2.gz PYOKJJNUOGAENT-RBUKOAKNSA-N 1 1 407.558 4.699 40 0 HJABMO COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044937214 569352081 /nfs/dbraw/zinc/35/20/81/569352081.db2.gz XSQROISHEKNCPW-XUZZJYLKSA-N 1 1 412.549 4.950 40 0 HJABMO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000020503439 575369626 /nfs/dbraw/zinc/36/96/26/575369626.db2.gz ICSZLFRITWDIEH-AZUAARDMSA-N 1 1 420.553 4.996 40 0 biogenic,in-vitro HJABMO CC(C)C(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291395 132358019 /nfs/dbraw/zinc/35/80/19/132358019.db2.gz IPIPAPKIFPXDQE-RUZDIDTESA-N 1 1 422.544 4.584 40 0 HJABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000044939834 521511102 /nfs/dbraw/zinc/51/11/02/521511102.db2.gz KFEOYCLDGTWTLK-INIZCTEOSA-N 1 1 418.896 4.507 40 0 HJABMO COc1ccccc1CCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044906717 524402259 /nfs/dbraw/zinc/40/22/59/524402259.db2.gz PFZHJEKCJVKJLR-UHFFFAOYSA-N 1 1 414.549 4.616 40 0 HJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2c[nH]nc2-c2ccc(Cl)cc2)o1 ZINC000043277772 524406479 /nfs/dbraw/zinc/40/64/79/524406479.db2.gz VWNWJTJYYLRLPP-UHFFFAOYSA-N 1 1 409.921 4.921 40 0 HJABMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000044855711 525552945 /nfs/dbraw/zinc/55/29/45/525552945.db2.gz PKURWUSWWPZKCX-WZONZLPQSA-N 1 1 422.569 4.959 40 0 HJABMO CCN1c2ccccc2C[C@](CC[N@@H+](C)Cc2ccccc2)(C(N)=O)c2ccccc21 ZINC000001565847 557272507 /nfs/dbraw/zinc/27/25/07/557272507.db2.gz PHPYRCJGEGCQNA-MHZLTWQESA-N 1 1 413.565 4.646 40 0 HJABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000408578401 557472654 /nfs/dbraw/zinc/47/26/54/557472654.db2.gz YCOVTFMBJHCDQQ-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO CC[NH+]1CCN(C(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000408574339 557478183 /nfs/dbraw/zinc/47/81/83/557478183.db2.gz LXLJNZVTTBIYTN-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO COc1ccc([C@H]2c3cc4c(cc3O[C@]3([NH+]5CCCC5)CCC[C@H]23)OCO4)c(OC)c1 ZINC000005554766 557661622 /nfs/dbraw/zinc/66/16/22/557661622.db2.gz NYLWYKVNXOZERE-BTZRARBUSA-N 1 1 423.509 4.549 40 0 HJABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000030946500 558746457 /nfs/dbraw/zinc/74/64/57/558746457.db2.gz FKOBOSGFGCDBDJ-UHFFFAOYSA-N 1 1 421.324 4.631 40 0 HJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1OC ZINC000038834963 558817844 /nfs/dbraw/zinc/81/78/44/558817844.db2.gz CIRBJEQEFZNVCR-UHFFFAOYSA-N 1 1 423.340 4.861 40 0 HJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1 ZINC000038857330 558819392 /nfs/dbraw/zinc/81/93/92/558819392.db2.gz BZZKFGUOYPSMNS-LJQANCHMSA-N 1 1 411.977 4.534 40 0 HJABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 ZINC000019210356 558848248 /nfs/dbraw/zinc/84/82/48/558848248.db2.gz HPEGEEKWHGCOGZ-HJOGWXRNSA-N 1 1 417.578 4.582 40 0 HJABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCC[N@H+]3C[C@@H]3CCOC3)nn21 ZINC000019344180 558872813 /nfs/dbraw/zinc/87/28/13/558872813.db2.gz UQQTWWUFYFFZMD-XJKSGUPXSA-N 1 1 422.476 4.650 40 0 HJABMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cc1 ZINC000019453224 558890788 /nfs/dbraw/zinc/89/07/88/558890788.db2.gz SBBCKIXVVKGWTP-QFIPXVFZSA-N 1 1 418.541 4.503 40 0 HJABMO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)ccc1OC1CCCC1 ZINC000019550120 558914918 /nfs/dbraw/zinc/91/49/18/558914918.db2.gz NGHSONWJJVQOSQ-KMXBQNHCSA-N 1 1 422.569 4.531 40 0 HJABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019568924 558928113 /nfs/dbraw/zinc/92/81/13/558928113.db2.gz NUKXZYKENZPWCP-PXDATVDWSA-N 1 1 421.585 4.854 40 0 HJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000072330462 558934784 /nfs/dbraw/zinc/93/47/84/558934784.db2.gz DEONCXUXOAKGMU-GJZUVCINSA-N 1 1 417.528 4.533 40 0 HJABMO CCCc1ccc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 ZINC000072341494 558939794 /nfs/dbraw/zinc/93/97/94/558939794.db2.gz BTIMKPHFSPBQMM-LJQANCHMSA-N 1 1 411.575 4.857 40 0 HJABMO Cn1ccnc1C[N@H+]1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350008 558946850 /nfs/dbraw/zinc/94/68/50/558946850.db2.gz GQQNKFGUTANESO-KRWDZBQOSA-N 1 1 400.448 4.881 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)cn1 ZINC000072349992 558946863 /nfs/dbraw/zinc/94/68/63/558946863.db2.gz RXFSJXRKCKEWKL-IBGZPJMESA-N 1 1 414.475 4.804 40 0 HJABMO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)n2)c1 ZINC000072350441 558947489 /nfs/dbraw/zinc/94/74/89/558947489.db2.gz WBQFPBRHUQOPKH-QFIPXVFZSA-N 1 1 410.521 4.708 40 0 HJABMO CC(C)c1ncc(C[N@H+]2CCCCC[C@@H]2Cc2c3ccccc3sc2C(N)=O)cn1 ZINC000072370685 558957235 /nfs/dbraw/zinc/95/72/35/558957235.db2.gz ODSUCYABPLGIQE-GOSISDBHSA-N 1 1 422.598 4.901 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000019687440 558957338 /nfs/dbraw/zinc/95/73/38/558957338.db2.gz OLBSZNBETYSQDI-NRFANRHFSA-N 1 1 424.980 4.725 40 0 HJABMO Cc1cccc(N2CC[N@H+](C[C@H]3C(=O)O[C@H]4C[C@@]5(C)CCC[C@@H](C)C5=C[C@@H]34)C[C@@H]2C)c1 ZINC000063684324 558958736 /nfs/dbraw/zinc/95/87/36/558958736.db2.gz SAOYGWVUOAMNQH-LNKOHFBPSA-N 1 1 422.613 4.820 40 0 HJABMO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019691047 558960594 /nfs/dbraw/zinc/96/05/94/558960594.db2.gz MACUHSUXNWBGBI-RUZDIDTESA-N 1 1 424.552 4.798 40 0 HJABMO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000072376099 558965388 /nfs/dbraw/zinc/96/53/88/558965388.db2.gz SEHHMYICDGBTPP-FQEVSTJZSA-N 1 1 412.541 4.864 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccccn3)[nH]n2)cc1 ZINC000019703693 558967727 /nfs/dbraw/zinc/96/77/27/558967727.db2.gz WDEJLDJIIQSOGC-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccccn3)[nH]n2)cc1 ZINC000019703693 558967729 /nfs/dbraw/zinc/96/77/29/558967729.db2.gz WDEJLDJIIQSOGC-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398588 558976018 /nfs/dbraw/zinc/97/60/18/558976018.db2.gz MFADXOOQCKMLBA-RGLOFSQBSA-N 1 1 421.585 4.719 40 0 HJABMO C[C@H]1Cc2cc(C[N@H+]3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000072398623 558976340 /nfs/dbraw/zinc/97/63/40/558976340.db2.gz SWRULZWHTDBBPH-WXVUKLJWSA-N 1 1 421.585 4.521 40 0 HJABMO COc1ccccc1-c1ccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000019715486 558976478 /nfs/dbraw/zinc/97/64/78/558976478.db2.gz IEQMHRJWVVTINF-UHFFFAOYSA-N 1 1 402.538 4.831 40 0 HJABMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCC[N@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100119 559023879 /nfs/dbraw/zinc/02/38/79/559023879.db2.gz FZISPMPHDNIOLO-NVQXNPDNSA-N 1 1 423.601 4.517 40 0 HJABMO COc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000585261967 559109635 /nfs/dbraw/zinc/10/96/35/559109635.db2.gz VDEGQFZYSJVJTR-RUZDIDTESA-N 1 1 415.537 4.730 40 0 HJABMO Clc1ccc2ncc(-c3cccc([C@@H]4CCC[N@@H+](Cc5ccccn5)C4)n3)n2c1 ZINC000585262953 559111570 /nfs/dbraw/zinc/11/15/70/559111570.db2.gz RGCVMPOGJHAWDD-QGZVFWFLSA-N 1 1 403.917 4.824 40 0 HJABMO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000096627143 559111687 /nfs/dbraw/zinc/11/16/87/559111687.db2.gz KSADTDJAKGKPIJ-QGZVFWFLSA-N 1 1 410.867 4.887 40 0 HJABMO Fc1ccc(Cc2cccc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257288220 559285589 /nfs/dbraw/zinc/28/55/89/559285589.db2.gz PTJYIXIQWLBJSR-SANMLTNESA-N 1 1 413.496 4.933 40 0 HJABMO Fc1ccc(Cc2cccc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257288220 559285591 /nfs/dbraw/zinc/28/55/91/559285591.db2.gz PTJYIXIQWLBJSR-SANMLTNESA-N 1 1 413.496 4.933 40 0 HJABMO CC(C)(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514289597 560032289 /nfs/dbraw/zinc/03/22/89/560032289.db2.gz LXBJKYXMQNYSSW-WRALFONMSA-N 1 1 412.549 4.558 40 0 biogenic,in-vitro HJABMO CCOc1ccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=[NH+]CCCCC2)cc1 ZINC000006870375 568462923 /nfs/dbraw/zinc/46/29/23/568462923.db2.gz FUZQZBWWEHAHGZ-UHFFFAOYSA-N 1 1 408.498 4.518 40 0 HJABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccc2ccccc2c1 ZINC000224645848 568590426 /nfs/dbraw/zinc/59/04/26/568590426.db2.gz QVLMXGSNXCLUBC-UHFFFAOYSA-N 1 1 418.537 4.595 40 0 HJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(Br)cc1F ZINC000225450440 568638837 /nfs/dbraw/zinc/63/88/37/568638837.db2.gz AZDWLLIADIDNAZ-UHFFFAOYSA-N 1 1 419.323 4.569 40 0 HJABMO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578679 568653575 /nfs/dbraw/zinc/65/35/75/568653575.db2.gz JDRFKPJEBPQSRU-UHFFFAOYSA-N 1 1 413.002 4.873 40 0 HJABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225582301 568654063 /nfs/dbraw/zinc/65/40/63/568654063.db2.gz GTCQKMWOSJTFGI-UHFFFAOYSA-N 1 1 418.896 4.507 40 0 HJABMO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584699 568654442 /nfs/dbraw/zinc/65/44/42/568654442.db2.gz CBKMDYVZZPVFGP-QGZVFWFLSA-N 1 1 402.941 4.829 40 0 HJABMO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225586564 568654879 /nfs/dbraw/zinc/65/48/79/568654879.db2.gz GEWPUMLROQLESF-QGZVFWFLSA-N 1 1 418.940 4.583 40 0 HJABMO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000225670367 568662455 /nfs/dbraw/zinc/66/24/55/568662455.db2.gz MLHLWPUIJVPTBQ-LJQANCHMSA-N 1 1 400.522 4.745 40 0 HJABMO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225688913 568664422 /nfs/dbraw/zinc/66/44/22/568664422.db2.gz XEQZWZBCQYAAAV-JXALWOEJSA-N 1 1 404.595 4.823 40 0 HJABMO CCc1nc2cc(C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)ccc2n1C ZINC000225895502 568683903 /nfs/dbraw/zinc/68/39/03/568683903.db2.gz CKVGQJFLRHFAGD-UHFFFAOYSA-N 1 1 421.932 4.569 40 0 HJABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1cc(-c2ccccc2)on1 ZINC000225898397 568684271 /nfs/dbraw/zinc/68/42/71/568684271.db2.gz NXUMEWYDPBSKFE-UHFFFAOYSA-N 1 1 406.873 4.775 40 0 HJABMO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)N1CCOc2ccccc21 ZINC000225910240 568685428 /nfs/dbraw/zinc/68/54/28/568685428.db2.gz AVCDVOAQPRBERA-OAHLLOKOSA-N 1 1 405.325 4.631 40 0 HJABMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCOc2ccccc21 ZINC000225910240 568685430 /nfs/dbraw/zinc/68/54/30/568685430.db2.gz AVCDVOAQPRBERA-OAHLLOKOSA-N 1 1 405.325 4.631 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814558 568740100 /nfs/dbraw/zinc/74/01/00/568740100.db2.gz KNHXFUCDABLGTH-MZLICYQSSA-N 1 1 402.579 4.721 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260814446 568740128 /nfs/dbraw/zinc/74/01/28/568740128.db2.gz IALJYUNNDBPENB-FQEVSTJZSA-N 1 1 402.579 4.865 40 0 HJABMO Cc1cccnc1Nc1ccc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)nc1 ZINC000257205869 568777959 /nfs/dbraw/zinc/77/79/59/568777959.db2.gz BAXKQJMTAQPHDN-DEOSSOPVSA-N 1 1 411.509 4.650 40 0 HJABMO Cc1cccnc1Nc1ccc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)nc1 ZINC000257205869 568777960 /nfs/dbraw/zinc/77/79/60/568777960.db2.gz BAXKQJMTAQPHDN-DEOSSOPVSA-N 1 1 411.509 4.650 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCCC4)on3)C2)c1 ZINC000257255605 568791870 /nfs/dbraw/zinc/79/18/70/568791870.db2.gz KIDYRXDOTZEQGB-IBGZPJMESA-N 1 1 411.546 4.515 40 0 HJABMO Cc1cccnc1Nc1ccc([C@H]2C[N@H+](Cc3cccc4ncccc34)CCO2)nc1 ZINC000257256717 568792031 /nfs/dbraw/zinc/79/20/31/568792031.db2.gz KMODGUWFAXWQNU-XMMPIXPASA-N 1 1 411.509 4.650 40 0 HJABMO Cc1cccnc1Nc1ccc([C@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)nc1 ZINC000257256717 568792033 /nfs/dbraw/zinc/79/20/33/568792033.db2.gz KMODGUWFAXWQNU-XMMPIXPASA-N 1 1 411.509 4.650 40 0 HJABMO Fc1ccc(Cc2cccc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257261127 568793118 /nfs/dbraw/zinc/79/31/18/568793118.db2.gz LFVBEOCDJHYGJR-AREMUKBSSA-N 1 1 413.496 4.933 40 0 HJABMO Fc1ccc(Cc2cccc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257261127 568793119 /nfs/dbraw/zinc/79/31/19/568793119.db2.gz LFVBEOCDJHYGJR-AREMUKBSSA-N 1 1 413.496 4.933 40 0 HJABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 ZINC000257283175 568799382 /nfs/dbraw/zinc/79/93/82/568799382.db2.gz OXAQCBWRGYTVOQ-RUZDIDTESA-N 1 1 415.537 4.730 40 0 HJABMO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1 ZINC000013756237 569004997 /nfs/dbraw/zinc/00/49/97/569004997.db2.gz UCRIIXJATPHSML-LZCXECNNSA-N 1 1 408.586 4.732 40 0 HJABMO O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199330 569059055 /nfs/dbraw/zinc/05/90/55/569059055.db2.gz ZXJAOWMVDHPZJN-IMBWNBOCSA-N 1 1 403.570 4.522 40 0 HJABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+]([C@H](C)Cc4ccc(F)cc4)C3)cc2n1 ZINC000252077228 569317256 /nfs/dbraw/zinc/31/72/56/569317256.db2.gz CZBRAZBQHFURHJ-GDBMZVCRSA-N 1 1 420.454 4.870 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000019696156 569346771 /nfs/dbraw/zinc/34/67/71/569346771.db2.gz NLXZTAUXUNOJPB-GOSISDBHSA-N 1 1 424.932 4.590 40 0 HJABMO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)cc1 ZINC000019696156 569346772 /nfs/dbraw/zinc/34/67/72/569346772.db2.gz NLXZTAUXUNOJPB-GOSISDBHSA-N 1 1 424.932 4.590 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)cc1 ZINC000019696156 569346773 /nfs/dbraw/zinc/34/67/73/569346773.db2.gz NLXZTAUXUNOJPB-GOSISDBHSA-N 1 1 424.932 4.590 40 0 HJABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000019702128 569347384 /nfs/dbraw/zinc/34/73/84/569347384.db2.gz DQNZFHOJBKTQII-KRWDZBQOSA-N 1 1 416.550 4.536 40 0 HJABMO COC[C@H]1CCC[N@H+]1C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cccnc3)o2)C[C@H]1C(C)C ZINC000030882906 291276292 /nfs/dbraw/zinc/27/62/92/291276292.db2.gz GRIXRNROZSZXME-GPJHCHHRSA-N 1 1 424.589 4.640 40 0 biogenic,in-vitro HJABMO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044912003 521510584 /nfs/dbraw/zinc/51/05/84/521510584.db2.gz LDXJDORDRVRHRF-IBGZPJMESA-N 1 1 414.933 4.676 40 0 HJABMO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044915800 527410813 /nfs/dbraw/zinc/41/08/13/527410813.db2.gz MNXNPNPZEABGQN-OAQYLSRUSA-N 1 1 416.496 4.907 40 0 HJABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000408576716 557480064 /nfs/dbraw/zinc/48/00/64/557480064.db2.gz QOWJJVCBBLRRQC-UHFFFAOYSA-N 1 1 418.990 4.631 40 0 HJABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC3 ZINC000019819695 558290185 /nfs/dbraw/zinc/29/01/85/558290185.db2.gz JLTNWYVAEMNDPT-UHFFFAOYSA-N 1 1 423.538 4.807 40 0 HJABMO O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC3 ZINC000019819695 558290187 /nfs/dbraw/zinc/29/01/87/558290187.db2.gz JLTNWYVAEMNDPT-UHFFFAOYSA-N 1 1 423.538 4.807 40 0 HJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000019931977 558310558 /nfs/dbraw/zinc/31/05/58/558310558.db2.gz JBNBTTDQVAZZLP-MRXNPFEDSA-N 1 1 403.419 4.997 40 0 HJABMO CC(C)c1cc(C(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)on1 ZINC000012128089 558331841 /nfs/dbraw/zinc/33/18/41/558331841.db2.gz OFCLVNHACAWTSX-INIZCTEOSA-N 1 1 409.534 4.676 40 0 HJABMO CC[NH+](CC)C[C@@H]1CCCN(Cc2c3cccnc3[nH]c2-c2ccc(OC)cc2)C1 ZINC000012144240 558335894 /nfs/dbraw/zinc/33/58/94/558335894.db2.gz WPOZAEWIYCXDIT-IBGZPJMESA-N 1 1 406.574 4.792 40 0 HJABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2oc3ccc(C)cc3c2C)n1 ZINC000012186024 558345258 /nfs/dbraw/zinc/34/52/58/558345258.db2.gz GMWNYRLGFSATEZ-HXUWFJFHSA-N 1 1 407.514 4.519 40 0 HJABMO O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038848489 558818369 /nfs/dbraw/zinc/81/83/69/558818369.db2.gz POOQJOPODHSENP-IBGZPJMESA-N 1 1 420.981 4.741 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000019400601 558883114 /nfs/dbraw/zinc/88/31/14/558883114.db2.gz MIDQHRPLLIVPRJ-PGRDOPGGSA-N 1 1 409.530 4.666 40 0 HJABMO O[C@@]1(c2ccccn2)CC[C@H]2C[N@@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C[C@H]21 ZINC000019402288 558883825 /nfs/dbraw/zinc/88/38/25/558883825.db2.gz OFQDHCAMMRUMMC-NZJKTDFXSA-N 1 1 418.512 4.529 40 0 HJABMO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000019452095 558889979 /nfs/dbraw/zinc/88/99/79/558889979.db2.gz NZECHMPIQYPGTM-HNNXBMFYSA-N 1 1 409.452 4.891 40 0 HJABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c2sccn12 ZINC000019523084 558904211 /nfs/dbraw/zinc/90/42/11/558904211.db2.gz SWQIFVILCIOVDA-HKUYNNGSSA-N 1 1 424.570 4.587 40 0 HJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019568921 558928163 /nfs/dbraw/zinc/92/81/63/558928163.db2.gz NUKXZYKENZPWCP-BWKNWUBXSA-N 1 1 421.585 4.854 40 0 HJABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072330773 558935108 /nfs/dbraw/zinc/93/51/08/558935108.db2.gz FFUFRNCBEZQEJL-CVDCTZTESA-N 1 1 409.574 4.514 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 ZINC000072341442 558939751 /nfs/dbraw/zinc/93/97/51/558939751.db2.gz QCWKLVUBLXGGEI-UNMCSNQZSA-N 1 1 421.566 4.535 40 0 HJABMO Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)n1 ZINC000072354201 558951627 /nfs/dbraw/zinc/95/16/27/558951627.db2.gz QEDNORIJDFIUSB-QHCPKHFHSA-N 1 1 416.569 4.707 40 0 HJABMO Fc1ccc(-c2nc3sccn3c2C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1 ZINC000019663013 558954024 /nfs/dbraw/zinc/95/40/24/558954024.db2.gz CRUNDFRCVZJROY-HXUWFJFHSA-N 1 1 422.529 4.778 40 0 HJABMO Fc1ccc(-c2nc3sccn3c2C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1 ZINC000019663013 558954026 /nfs/dbraw/zinc/95/40/26/558954026.db2.gz CRUNDFRCVZJROY-HXUWFJFHSA-N 1 1 422.529 4.778 40 0 HJABMO CCn1ccnc1C[NH+]1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359821 558955434 /nfs/dbraw/zinc/95/54/34/558955434.db2.gz NOPMHLUKYOELNG-UHFFFAOYSA-N 1 1 415.463 4.758 40 0 HJABMO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cn1 ZINC000019688439 558957941 /nfs/dbraw/zinc/95/79/41/558957941.db2.gz CDNHXXGDSRPJMK-NRFANRHFSA-N 1 1 400.448 4.762 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cn1 ZINC000019688439 558957945 /nfs/dbraw/zinc/95/79/45/558957945.db2.gz CDNHXXGDSRPJMK-NRFANRHFSA-N 1 1 400.448 4.762 40 0 HJABMO COc1cc(C)c(C[N@H+]2CCC[C@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)c(C)c1C ZINC000019690826 558960273 /nfs/dbraw/zinc/96/02/73/558960273.db2.gz FVNQOMLJTVSNOO-QHCPKHFHSA-N 1 1 417.557 4.700 40 0 HJABMO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019696074 558964372 /nfs/dbraw/zinc/96/43/72/558964372.db2.gz YLANPNBTAHOPPP-QHCPKHFHSA-N 1 1 418.585 4.777 40 0 HJABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019696074 558964374 /nfs/dbraw/zinc/96/43/74/558964374.db2.gz YLANPNBTAHOPPP-QHCPKHFHSA-N 1 1 418.585 4.777 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c2cc(F)ccc21 ZINC000072375753 558964696 /nfs/dbraw/zinc/96/46/96/558964696.db2.gz KSKAOXYDUFMMJS-OAQYLSRUSA-N 1 1 402.477 4.583 40 0 HJABMO Fc1ccccc1OCCc1cc([C@@H]2CCC[N@H+]2Cc2ccc3[nH]ccc3c2)[nH]n1 ZINC000072378357 558967493 /nfs/dbraw/zinc/96/74/93/558967493.db2.gz UPVFZBIJGZBFGI-QHCPKHFHSA-N 1 1 404.489 4.989 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccccn3)[nH]n2)cc1 ZINC000019703694 558967636 /nfs/dbraw/zinc/96/76/36/558967636.db2.gz WDEJLDJIIQSOGC-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccccn3)[nH]n2)cc1 ZINC000019703694 558967638 /nfs/dbraw/zinc/96/76/38/558967638.db2.gz WDEJLDJIIQSOGC-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000072388973 558969393 /nfs/dbraw/zinc/96/93/93/558969393.db2.gz KVVHGIDFPXOQHE-IDISGSTGSA-N 1 1 413.565 4.533 40 0 HJABMO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072391193 558971202 /nfs/dbraw/zinc/97/12/02/558971202.db2.gz AQPWHURBPBIETE-VWLOTQADSA-N 1 1 419.594 4.723 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000072398606 558976041 /nfs/dbraw/zinc/97/60/41/558976041.db2.gz SLWQLUZMKVLMLA-URXFXBBRSA-N 1 1 423.601 4.823 40 0 HJABMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCC[N@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100117 559023873 /nfs/dbraw/zinc/02/38/73/559023873.db2.gz FZISPMPHDNIOLO-BKMJKUGQSA-N 1 1 423.601 4.517 40 0 HJABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)c2cc(C(C)(C)C)oc2C)C3)s1 ZINC000585101778 559024749 /nfs/dbraw/zinc/02/47/49/559024749.db2.gz FWUVXALBBFDCBU-JOCHJYFZSA-N 1 1 401.576 4.531 40 0 HJABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)c2cc(C(C)(C)C)oc2C)C3)s1 ZINC000585101778 559024750 /nfs/dbraw/zinc/02/47/50/559024750.db2.gz FWUVXALBBFDCBU-JOCHJYFZSA-N 1 1 401.576 4.531 40 0 HJABMO COc1ccccc1-c1cccc(C[N@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000585261968 559109645 /nfs/dbraw/zinc/10/96/45/559109645.db2.gz VDEGQFZYSJVJTR-VWLOTQADSA-N 1 1 415.537 4.730 40 0 HJABMO Clc1ccc2ncc(-c3cccc([C@@H]4CCC[N@@H+](Cc5cccnc5)C4)n3)n2c1 ZINC000585263017 559111396 /nfs/dbraw/zinc/11/13/96/559111396.db2.gz VSPDOXKUEUSWPD-GOSISDBHSA-N 1 1 403.917 4.824 40 0 HJABMO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23CO)[N@@H+]2C[C@@H](C)CC[C@@H]12 ZINC000118936397 559206625 /nfs/dbraw/zinc/20/66/25/559206625.db2.gz NMFWDNZLNHRNAT-CAKNJAFZSA-N 1 1 413.646 4.627 40 0 HJABMO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257222290 559283606 /nfs/dbraw/zinc/28/36/06/559283606.db2.gz DSSITBDOODWRMY-AOYPEHQESA-N 1 1 422.569 4.589 40 0 HJABMO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257222290 559283608 /nfs/dbraw/zinc/28/36/08/559283608.db2.gz DSSITBDOODWRMY-AOYPEHQESA-N 1 1 422.569 4.589 40 0 HJABMO S=C(Nc1cccc2ncccc21)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208215363 568443577 /nfs/dbraw/zinc/44/35/77/568443577.db2.gz PVKAJFSHLMPSIT-PLXZFBFJSA-N 1 1 418.610 4.827 40 0 HJABMO CC[N@@H+](CCCNCc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 ZINC000057761906 568496973 /nfs/dbraw/zinc/49/69/73/568496973.db2.gz WOEAMYYAMKYEMO-UHFFFAOYSA-N 1 1 418.463 4.757 40 0 HJABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+]([C@@H](C)Cc4ccc(F)cc4)C3)cc2n1 ZINC000057774661 568497487 /nfs/dbraw/zinc/49/74/87/568497487.db2.gz CZBRAZBQHFURHJ-GOEBONIOSA-N 1 1 420.454 4.870 40 0 HJABMO Cc1cc(C)c(S(=O)(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)c(C)c1 ZINC000222975826 568532913 /nfs/dbraw/zinc/53/29/13/568532913.db2.gz HDEJWICMJBQBQT-UHFFFAOYSA-N 1 1 417.962 4.594 40 0 HJABMO CCCSc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)s1 ZINC000223251297 568542590 /nfs/dbraw/zinc/54/25/90/568542590.db2.gz PEIQYYNXLXWIOZ-CQSZACIVSA-N 1 1 410.996 4.544 40 0 HJABMO CCCSc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)s1 ZINC000223251297 568542592 /nfs/dbraw/zinc/54/25/92/568542592.db2.gz PEIQYYNXLXWIOZ-CQSZACIVSA-N 1 1 410.996 4.544 40 0 HJABMO CC(C)n1c(SCc2cccnc2)nnc1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000026441103 568549521 /nfs/dbraw/zinc/54/95/21/568549521.db2.gz WUTVHCSTJCFCEX-SFHVURJKSA-N 1 1 413.616 4.987 40 0 HJABMO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000223740277 568557819 /nfs/dbraw/zinc/55/78/19/568557819.db2.gz ZPVMOWIHLHPIDK-DEOSSOPVSA-N 1 1 403.526 4.533 40 0 HJABMO Cc1cc(C)cc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000224055234 568568105 /nfs/dbraw/zinc/56/81/05/568568105.db2.gz HADQNAKBEKNYRK-UHFFFAOYSA-N 1 1 414.549 4.671 40 0 HJABMO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000224113791 568570528 /nfs/dbraw/zinc/57/05/28/568570528.db2.gz HAMCAHDLTAKIAO-UHFFFAOYSA-N 1 1 418.940 4.503 40 0 HJABMO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224543081 568584431 /nfs/dbraw/zinc/58/44/31/568584431.db2.gz GSYYTLOIBHLABS-UHFFFAOYSA-N 1 1 421.368 4.538 40 0 HJABMO C[C@H](CNC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000224547336 568584593 /nfs/dbraw/zinc/58/45/93/568584593.db2.gz ZEPQUCPGLWCCKB-QGZVFWFLSA-N 1 1 415.375 4.581 40 0 HJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(Br)cc1F ZINC000225582527 568653948 /nfs/dbraw/zinc/65/39/48/568653948.db2.gz XNMQYJOPXGUFGE-CQSZACIVSA-N 1 1 402.377 4.529 40 0 HJABMO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584670 568654566 /nfs/dbraw/zinc/65/45/66/568654566.db2.gz CBKMDYVZZPVFGP-KRWDZBQOSA-N 1 1 402.941 4.829 40 0 HJABMO CC(C)c1nc(Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000225902101 568684814 /nfs/dbraw/zinc/68/48/14/568684814.db2.gz AIMPRTXYLAWPDI-OAQYLSRUSA-N 1 1 418.541 4.635 40 0 HJABMO CCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260812496 568739940 /nfs/dbraw/zinc/73/99/40/568739940.db2.gz DFNLXPQWIMXCRU-MZLICYQSSA-N 1 1 402.579 4.864 40 0 HJABMO CCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260812577 568739960 /nfs/dbraw/zinc/73/99/60/568739960.db2.gz GWWAIPLRLWPOJE-JXALWOEJSA-N 1 1 402.579 4.721 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814549 568740106 /nfs/dbraw/zinc/74/01/06/568740106.db2.gz KNHXFUCDABLGTH-DCLXLUIPSA-N 1 1 402.579 4.721 40 0 HJABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260814465 568740119 /nfs/dbraw/zinc/74/01/19/568740119.db2.gz ISPORDSIKQPKTC-VIHQBZHPSA-N 1 1 402.579 4.721 40 0 HJABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260816752 568740142 /nfs/dbraw/zinc/74/01/42/568740142.db2.gz PRKKASLBYUFVRH-ITGJCUMNSA-N 1 1 402.579 4.864 40 0 HJABMO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000247867234 568745785 /nfs/dbraw/zinc/74/57/85/568745785.db2.gz JLXOAABJPNYWPB-CHZKFRDHSA-N 1 1 418.585 4.555 40 0 HJABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000257214136 568780262 /nfs/dbraw/zinc/78/02/62/568780262.db2.gz CKSANHZVASLLBH-KRWDZBQOSA-N 1 1 401.938 4.770 40 0 HJABMO CN(C)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3OCc3ccccn3)C2)ccn1 ZINC000257233003 568785621 /nfs/dbraw/zinc/78/56/21/568785621.db2.gz GNIFMUBSJALMLF-NRFANRHFSA-N 1 1 402.542 4.501 40 0 HJABMO O=C1CCCC[C@@H]2[C@H](CC[N@H+]2Cc2cccc3cccnc32)N1Cc1ccccc1F ZINC000257255752 568791977 /nfs/dbraw/zinc/79/19/77/568791977.db2.gz KIRXCKDIVFGEEM-RPWUZVMVSA-N 1 1 417.528 4.920 40 0 HJABMO CCn1cc(C[NH+]2CCC(c3cc(Nc4ccc(F)cn4)cc(C)n3)CC2)c(C)n1 ZINC000257256777 568792101 /nfs/dbraw/zinc/79/21/01/568792101.db2.gz KMWCPIWWTFYWHX-UHFFFAOYSA-N 1 1 408.525 4.572 40 0 HJABMO CCn1c(C[N@H+]2CC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)nc2ccccc21 ZINC000257287098 568800601 /nfs/dbraw/zinc/80/06/01/568800601.db2.gz POMXOROOVIRAGU-QGZVFWFLSA-N 1 1 418.570 4.949 40 0 HJABMO CCCOc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 ZINC000257310766 568807468 /nfs/dbraw/zinc/80/74/68/568807468.db2.gz UGLNYQQGGCSYEI-OAQYLSRUSA-N 1 1 424.589 4.594 40 0 HJABMO Cc1nc(NCc2ccccc2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000328971644 568970542 /nfs/dbraw/zinc/97/05/42/568970542.db2.gz DQZYZJNMTFJSEL-UHFFFAOYSA-N 1 1 409.331 4.722 40 0 HJABMO Cc1nc(NC2CCCCC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000329017462 568972925 /nfs/dbraw/zinc/97/29/25/568972925.db2.gz NMILCPAXICMJAD-UHFFFAOYSA-N 1 1 406.452 4.991 40 0 HJABMO Cc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000329031771 568973759 /nfs/dbraw/zinc/97/37/59/568973759.db2.gz QLGYCZPONTXWOY-UHFFFAOYSA-N 1 1 400.404 4.990 40 0 HJABMO C[C@@H]1C[NH+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C[C@@H](C)O1 ZINC000216839943 569025583 /nfs/dbraw/zinc/02/55/83/569025583.db2.gz RVQGUQMHWMEQJX-ZIAGYGMSSA-N 1 1 401.304 4.867 40 0 HJABMO O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199333 569059075 /nfs/dbraw/zinc/05/90/75/569059075.db2.gz ZXJAOWMVDHPZJN-XIUDZHQXSA-N 1 1 403.570 4.522 40 0 HJABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019450624 569345367 /nfs/dbraw/zinc/34/53/67/569345367.db2.gz DNRLMGSKDNJJNY-XUZZJYLKSA-N 1 1 423.601 4.984 40 0 HJABMO COc1cccc(-c2ccc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)nc2)c1 ZINC000019692582 569346126 /nfs/dbraw/zinc/34/61/26/569346126.db2.gz SJDVCAZANQGTBO-SANMLTNESA-N 1 1 411.505 4.879 40 0 HJABMO COc1cccc(-c2ccc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)nc2)c1 ZINC000019692582 569346127 /nfs/dbraw/zinc/34/61/27/569346127.db2.gz SJDVCAZANQGTBO-SANMLTNESA-N 1 1 411.505 4.879 40 0 HJABMO O=C1CCC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc3cccnc32)N1Cc1ccc(F)cc1 ZINC000019713270 569348384 /nfs/dbraw/zinc/34/83/84/569348384.db2.gz BINLLWGAIQKFEZ-DHIUTWEWSA-N 1 1 403.501 4.530 40 0 HJABMO CCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)c1 ZINC000001854844 132248081 /nfs/dbraw/zinc/24/80/81/132248081.db2.gz ZMCQUCPIHGUDIM-UHFFFAOYSA-N 1 1 401.938 4.523 40 0 HJABMO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000044852906 525433881 /nfs/dbraw/zinc/43/38/81/525433881.db2.gz AHGUTMLPQDVDES-KRWDZBQOSA-N 1 1 418.940 4.583 40 0 HJABMO O=C(NCCSCc1ccccc1F)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044909021 526373279 /nfs/dbraw/zinc/37/32/79/526373279.db2.gz CHOKABHCBDHLEY-SFHVURJKSA-N 1 1 420.981 4.741 40 0 HJABMO Fc1ccc(COc2cccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000408577458 557480544 /nfs/dbraw/zinc/48/05/44/557480544.db2.gz SPQFFDIDEMTNIE-UHFFFAOYSA-N 1 1 420.553 4.898 40 0 HJABMO O=C(C(c1ccccc1)c1ccccc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000408613027 557531217 /nfs/dbraw/zinc/53/12/17/557531217.db2.gz WLXKKTAGZKQNFI-UHFFFAOYSA-N 1 1 410.561 4.868 40 0 HJABMO COCc1cc(C[N@H+]2CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C2)ccc1OC(C)C ZINC000019742508 558262975 /nfs/dbraw/zinc/26/29/75/558262975.db2.gz YXCXPUAYPZSVCG-HXUWFJFHSA-N 1 1 422.573 4.590 40 0 HJABMO COc1ccc(C[N@@H+](Cc2[nH]c3ccccc3c2C)C[C@H]2CCCO2)c(OC)c1OC ZINC000012187005 558345934 /nfs/dbraw/zinc/34/59/34/558345934.db2.gz SENUVFBVUYYHDB-LJQANCHMSA-N 1 1 424.541 4.683 40 0 HJABMO COc1ccc(C[N@H+](Cc2[nH]c3ccccc3c2C)C[C@H]2CCCO2)c(OC)c1OC ZINC000012187005 558345937 /nfs/dbraw/zinc/34/59/37/558345937.db2.gz SENUVFBVUYYHDB-LJQANCHMSA-N 1 1 424.541 4.683 40 0 HJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020458331 558371276 /nfs/dbraw/zinc/37/12/76/558371276.db2.gz WBNIFFNOZNJCEU-UHFFFAOYSA-N 1 1 422.532 4.673 40 0 HJABMO COc1cc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1OC(C)C ZINC000030860105 558741613 /nfs/dbraw/zinc/74/16/13/558741613.db2.gz RCGANABLQYDSPQ-LJQANCHMSA-N 1 1 410.558 4.644 40 0 HJABMO COc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(OC)cc1Cl ZINC000030942670 558745629 /nfs/dbraw/zinc/74/56/29/558745629.db2.gz DYGTZIVAVWVKFT-OAHLLOKOSA-N 1 1 423.340 4.861 40 0 HJABMO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000030943501 558745935 /nfs/dbraw/zinc/74/59/35/558745935.db2.gz WWPBSJKBNKOATH-OAHLLOKOSA-N 1 1 420.340 4.803 40 0 HJABMO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000030943501 558745940 /nfs/dbraw/zinc/74/59/40/558745940.db2.gz WWPBSJKBNKOATH-OAHLLOKOSA-N 1 1 420.340 4.803 40 0 HJABMO Cc1cc(C)n(-c2cccc(C[N@H+](CCCn3ccnc3)Cc3ccc(C)o3)c2)n1 ZINC000036740271 558801637 /nfs/dbraw/zinc/80/16/37/558801637.db2.gz MFOKZHCYVWHTRY-UHFFFAOYSA-N 1 1 403.530 4.680 40 0 HJABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c(C)c1 ZINC000038833359 558817063 /nfs/dbraw/zinc/81/70/63/558817063.db2.gz MYASNBTVIGGWQM-UHFFFAOYSA-N 1 1 401.348 4.917 40 0 HJABMO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c(OC)c1 ZINC000038834645 558817850 /nfs/dbraw/zinc/81/78/50/558817850.db2.gz LENLNXUDFYPOGJ-AWEZNQCLSA-N 1 1 423.340 4.861 40 0 HJABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c(OC)c1 ZINC000038834645 558817852 /nfs/dbraw/zinc/81/78/52/558817852.db2.gz LENLNXUDFYPOGJ-AWEZNQCLSA-N 1 1 423.340 4.861 40 0 HJABMO Cc1ccc(CSCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038837182 558818123 /nfs/dbraw/zinc/81/81/23/558818123.db2.gz KMXZEBDIPPFYOL-OAQYLSRUSA-N 1 1 417.018 4.910 40 0 HJABMO O=C(NCCSCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038836997 558818166 /nfs/dbraw/zinc/81/81/66/558818166.db2.gz IXNHLSUTNVCVPI-FQEVSTJZSA-N 1 1 402.991 4.602 40 0 HJABMO O=C(NCCSCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038848546 558818227 /nfs/dbraw/zinc/81/82/27/558818227.db2.gz JDTGIFPLIHJTAG-LJQANCHMSA-N 1 1 420.981 4.741 40 0 HJABMO COc1ccccc1CNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038848837 558818307 /nfs/dbraw/zinc/81/83/07/558818307.db2.gz YBUSRCHNGFDSDX-UHFFFAOYSA-N 1 1 407.341 4.530 40 0 HJABMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038848938 558818353 /nfs/dbraw/zinc/81/83/53/558818353.db2.gz BLCXMLKCYBOEMW-UHFFFAOYSA-N 1 1 421.368 4.573 40 0 HJABMO Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038852955 558819061 /nfs/dbraw/zinc/81/90/61/558819061.db2.gz GGMUDCCADSRRHY-HXUWFJFHSA-N 1 1 417.018 4.910 40 0 HJABMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038857661 558819580 /nfs/dbraw/zinc/81/95/80/558819580.db2.gz QXCNGPVVSYFIIF-INIZCTEOSA-N 1 1 420.340 4.803 40 0 HJABMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038857661 558819582 /nfs/dbraw/zinc/81/95/82/558819582.db2.gz QXCNGPVVSYFIIF-INIZCTEOSA-N 1 1 420.340 4.803 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019236818 558855897 /nfs/dbraw/zinc/85/58/97/558855897.db2.gz CYNZVDQDPCZVBW-BWKNWUBXSA-N 1 1 417.528 4.912 40 0 HJABMO COc1cccc([C@H](NC(=O)c2cccc(Cn3cc[nH+]c3C)c2)c2ccccc2)c1 ZINC000019288209 558861177 /nfs/dbraw/zinc/86/11/77/558861177.db2.gz LEFDKSJCMNSGIS-RUZDIDTESA-N 1 1 411.505 4.768 40 0 HJABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000019292952 558864643 /nfs/dbraw/zinc/86/46/43/558864643.db2.gz OIGJHOOUOCYAQC-IPJJNNNSSA-N 1 1 416.537 4.643 40 0 HJABMO O=C(C1CCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019343534 558872482 /nfs/dbraw/zinc/87/24/82/558872482.db2.gz IZYFIWABDUMHNV-NJDAHSKKSA-N 1 1 400.613 4.816 40 0 HJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019370347 558878366 /nfs/dbraw/zinc/87/83/66/558878366.db2.gz HVAAQCQXBXDJRA-ZEVJAHDQSA-N 1 1 403.570 4.550 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449649 558888306 /nfs/dbraw/zinc/88/83/06/558888306.db2.gz YCPRUTBGJVWZLL-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019568966 558928053 /nfs/dbraw/zinc/92/80/53/558928053.db2.gz NCCGPZKAXYQFCC-CVDCTZTESA-N 1 1 421.566 4.535 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000072330594 558935188 /nfs/dbraw/zinc/93/51/88/558935188.db2.gz JJKKJDIFSMJYBC-DHLKQENFSA-N 1 1 421.585 4.577 40 0 HJABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072352446 558948806 /nfs/dbraw/zinc/94/88/06/558948806.db2.gz YYQLRBMNZHLZGM-QGZVFWFLSA-N 1 1 401.535 4.799 40 0 HJABMO COCc1cc(C[N@H+]2CCC[C@H]2c2ccc(-c3cnn(C)c3)cn2)ccc1OC(C)C ZINC000072374117 558961487 /nfs/dbraw/zinc/96/14/87/558961487.db2.gz FYSDGIAADJVPTM-DEOSSOPVSA-N 1 1 420.557 4.753 40 0 HJABMO O=C1C[C@@H]([NH+]2CCC(Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000015084292 558987217 /nfs/dbraw/zinc/98/72/17/558987217.db2.gz MSQGTYXCOYTERD-HXUWFJFHSA-N 1 1 417.336 4.580 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 ZINC000072359719 559186230 /nfs/dbraw/zinc/18/62/30/559186230.db2.gz TWLKATWOGCRISI-QFIPXVFZSA-N 1 1 400.526 4.790 40 0 HJABMO OCc1ccccc1C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1 ZINC000257247991 559284430 /nfs/dbraw/zinc/28/44/30/559284430.db2.gz JBOGUFUDERFBNT-UHFFFAOYSA-N 1 1 401.485 4.706 40 0 HJABMO OCc1ccccc1C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1 ZINC000257247991 559284432 /nfs/dbraw/zinc/28/44/32/559284432.db2.gz JBOGUFUDERFBNT-UHFFFAOYSA-N 1 1 401.485 4.706 40 0 HJABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2ccccc2OCc2ccccc2)ccn1 ZINC000257297920 559285875 /nfs/dbraw/zinc/28/58/75/559285875.db2.gz RJIPKYROXBONLD-RUZDIDTESA-N 1 1 415.537 4.634 40 0 HJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000004882533 560614780 /nfs/dbraw/zinc/61/47/80/560614780.db2.gz NJVPMCYQFRGQLC-XSNACQMZSA-N 1 1 407.602 4.840 40 0 HJABMO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@H]3C[N@H+]2C1 ZINC000108235059 560898555 /nfs/dbraw/zinc/89/85/55/560898555.db2.gz NEMWYOKGHGSVSC-LNHKRLHCSA-N 1 1 415.662 4.563 40 0 biogenic HJABMO COc1ccc(-n2ncc3c2CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C3)cc1 ZINC000057743547 568495550 /nfs/dbraw/zinc/49/55/50/568495550.db2.gz DMGNQYSRIYZVAS-UHFFFAOYSA-N 1 1 401.432 4.848 40 0 HJABMO O=C(Cc1ccc(F)cc1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000057773927 568497362 /nfs/dbraw/zinc/49/73/62/568497362.db2.gz JCJRDRMQBOUQLG-ISKFKSNPSA-N 1 1 406.545 4.662 40 0 HJABMO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224538651 568584097 /nfs/dbraw/zinc/58/40/97/568584097.db2.gz AUIILRUVISXXON-UHFFFAOYSA-N 1 1 421.368 4.538 40 0 HJABMO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544832 568584417 /nfs/dbraw/zinc/58/44/17/568584417.db2.gz GFFTWBVKXJDRBR-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccccc1C(C)C ZINC000224570512 568585758 /nfs/dbraw/zinc/58/57/58/568585758.db2.gz HGAXFIRIEFCSCA-UHFFFAOYSA-N 1 1 410.558 4.565 40 0 HJABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1cccc2ccccc21 ZINC000224635655 568589745 /nfs/dbraw/zinc/58/97/45/568589745.db2.gz AXXDDCYHCHIDIO-UHFFFAOYSA-N 1 1 418.537 4.595 40 0 HJABMO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000020462703 568609854 /nfs/dbraw/zinc/60/98/54/568609854.db2.gz UEVLBOFOSJDJHO-KMDXXIMOSA-N 1 1 408.586 4.826 40 0 biogenic,in-vitro HJABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225640910 568659177 /nfs/dbraw/zinc/65/91/77/568659177.db2.gz ISPORDSIKQPKTC-ITGJCUMNSA-N 1 1 402.579 4.721 40 0 HJABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 ZINC000225736780 568669699 /nfs/dbraw/zinc/66/96/99/568669699.db2.gz VUUSOWIZNLYDSB-LBPRGKRZSA-N 1 1 404.805 4.511 40 0 HJABMO Cc1ccc(-c2nnc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)s2)cc1 ZINC000225820661 568677453 /nfs/dbraw/zinc/67/74/53/568677453.db2.gz SSBHPWLCOWUQSG-QGZVFWFLSA-N 1 1 406.555 4.998 40 0 HJABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1conc1-c1ccccc1 ZINC000225870214 568682149 /nfs/dbraw/zinc/68/21/49/568682149.db2.gz OKUHNHOKNLTQDS-UHFFFAOYSA-N 1 1 406.873 4.775 40 0 HJABMO CC(C)c1nc(Cc2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000225902116 568684872 /nfs/dbraw/zinc/68/48/72/568684872.db2.gz AIMPRTXYLAWPDI-NRFANRHFSA-N 1 1 418.541 4.635 40 0 HJABMO COc1ccc(-c2nnc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)s2)cc1 ZINC000260743570 568737093 /nfs/dbraw/zinc/73/70/93/568737093.db2.gz LVCCNWNMDWCXLE-INIZCTEOSA-N 1 1 422.554 4.698 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCCCC1 ZINC000260818240 568740706 /nfs/dbraw/zinc/74/07/06/568740706.db2.gz YXSZOVVFSRZCMZ-FQEVSTJZSA-N 1 1 402.579 4.865 40 0 HJABMO Cc1[nH+]ccn1-c1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 ZINC000257209782 568778920 /nfs/dbraw/zinc/77/89/20/568778920.db2.gz BRWDIAUPVNKQLI-ASNHTKRHSA-N 1 1 409.574 4.978 40 0 HJABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)OC(C)C)C[C@@H]32)cc1 ZINC000257249349 568790059 /nfs/dbraw/zinc/79/00/59/568790059.db2.gz JHVIDJXUMHXUKH-WXFUMESZSA-N 1 1 408.542 4.530 40 0 HJABMO CC(C)n1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 ZINC000306127446 568890235 /nfs/dbraw/zinc/89/02/35/568890235.db2.gz FYTKSXZBOUFSAW-IBGZPJMESA-N 1 1 406.559 4.615 40 0 HJABMO c1coc(C[N@H+]2CC[C@]3(c4ccccc4)CCc4ncc(-c5ccncc5)n4C[C@@H]23)c1 ZINC000306141511 568902949 /nfs/dbraw/zinc/90/29/49/568902949.db2.gz VYQVBDIBROBISY-RSXGOPAZSA-N 1 1 410.521 4.697 40 0 HJABMO Cc1nc(NC2CCCCC2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329022679 568973336 /nfs/dbraw/zinc/97/33/36/568973336.db2.gz OPHBSHBTZUSGKG-UHFFFAOYSA-N 1 1 401.352 4.855 40 0 HJABMO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199090 569059012 /nfs/dbraw/zinc/05/90/12/569059012.db2.gz SCPFIOQUNAJIQW-DJCWJLACSA-N 1 1 417.597 4.912 40 0 HJABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccc(F)cc2)CC[C@@]1(C)O ZINC000514289773 569070041 /nfs/dbraw/zinc/07/00/41/569070041.db2.gz FCKPPUJIMLSDHD-QNWVGRARSA-N 1 1 418.578 4.506 40 0 biogenic,in-vitro HJABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccc(F)cc2)CC[C@@]1(C)O ZINC000514289773 569070042 /nfs/dbraw/zinc/07/00/42/569070042.db2.gz FCKPPUJIMLSDHD-QNWVGRARSA-N 1 1 418.578 4.506 40 0 biogenic,in-vitro HJABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019133383 569345327 /nfs/dbraw/zinc/34/53/27/569345327.db2.gz FFUFRNCBEZQEJL-AUSIDOKSSA-N 1 1 409.574 4.514 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccs1 ZINC000019348967 569345375 /nfs/dbraw/zinc/34/53/75/569345375.db2.gz FICZDQUATVLFHZ-PGRDOPGGSA-N 1 1 409.530 4.666 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000019696157 569346709 /nfs/dbraw/zinc/34/67/09/569346709.db2.gz NLXZTAUXUNOJPB-SFHVURJKSA-N 1 1 424.932 4.590 40 0 HJABMO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)cc1 ZINC000019696157 569346710 /nfs/dbraw/zinc/34/67/10/569346710.db2.gz NLXZTAUXUNOJPB-SFHVURJKSA-N 1 1 424.932 4.590 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)cc1 ZINC000019696157 569346711 /nfs/dbraw/zinc/34/67/11/569346711.db2.gz NLXZTAUXUNOJPB-SFHVURJKSA-N 1 1 424.932 4.590 40 0 HJABMO Cc1nc([C@]2(O)CCC[N@@H+](CC3CC3)CC2)sc1CCOc1ccccc1Cl ZINC000019738680 569348538 /nfs/dbraw/zinc/34/85/38/569348538.db2.gz AXHNANPYVGKBRU-QFIPXVFZSA-N 1 1 421.006 4.810 40 0 HJABMO Clc1cccc(-c2nccnc2[C@@H]2C[N@H+](Cc3cccc4ncccc34)CCO2)c1 ZINC000019693276 569428395 /nfs/dbraw/zinc/42/83/95/569428395.db2.gz RMILECLNIVPSPL-QFIPXVFZSA-N 1 1 416.912 4.919 40 0 HJABMO Clc1cccc(-c2nccnc2[C@@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)c1 ZINC000019693276 569428396 /nfs/dbraw/zinc/42/83/96/569428396.db2.gz RMILECLNIVPSPL-QFIPXVFZSA-N 1 1 416.912 4.919 40 0 HJABMO COc1ccccc1/C=C/C[N@H+]1[C@H](Cc2ccccc2F)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712826 569429047 /nfs/dbraw/zinc/42/90/47/569429047.db2.gz JRNYNSQMBJARRJ-WMZVREIMSA-N 1 1 422.544 4.592 40 0 HJABMO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3cccs3)C2)cc1 ZINC000020503435 575369775 /nfs/dbraw/zinc/36/97/75/575369775.db2.gz NYKIGZUPGQPYJK-FUHWJXTLSA-N 1 1 408.592 4.918 40 0 biogenic,in-vitro HJABMO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000225489367 291279552 /nfs/dbraw/zinc/27/95/52/291279552.db2.gz XTQODWFWHIBELR-KRWDZBQOSA-N 1 1 406.404 4.625 40 0 biogenic,in-vitro HJABMO Fc1ccc(OCc2nnc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000049170415 291280013 /nfs/dbraw/zinc/28/00/13/291280013.db2.gz DXXJXTBXZFSJDJ-HNNXBMFYSA-N 1 1 421.394 4.796 40 0 biogenic,in-vitro HJABMO CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911801 521472544 /nfs/dbraw/zinc/47/25/44/521472544.db2.gz UMVDBACGEVAGNW-IBGZPJMESA-N 1 1 414.933 4.676 40 0 HJABMO Cc1nn(-c2ccccn2)c2nc([C@H]3CCC[N@@H+]3Cc3cn(C)c4ccccc34)ccc12 ZINC000019742442 558262724 /nfs/dbraw/zinc/26/27/24/558262724.db2.gz VIOUIUHXGRQTQE-XMMPIXPASA-N 1 1 422.536 4.953 40 0 HJABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@H+]2C2CCCCC2)nc1C ZINC000019753468 558272727 /nfs/dbraw/zinc/27/27/27/558272727.db2.gz RUXJSZOEGIITNI-NRFANRHFSA-N 1 1 408.546 4.906 40 0 HJABMO Cc1nc(NCc2ccccc2F)cc(CC2CCN(C(=O)[C@H]3CC34CCC4)CC2)[nH+]1 ZINC000019758919 558275479 /nfs/dbraw/zinc/27/54/79/558275479.db2.gz SUJKQLNVUWDRCY-OAQYLSRUSA-N 1 1 422.548 4.508 40 0 HJABMO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020042550 558326285 /nfs/dbraw/zinc/32/62/85/558326285.db2.gz PYOKJJNUOGAENT-RTBURBONSA-N 1 1 407.558 4.699 40 0 HJABMO COc1cccc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000013048345 558508415 /nfs/dbraw/zinc/50/84/15/558508415.db2.gz RFJFWTOVDASART-UHFFFAOYSA-N 1 1 401.510 4.634 40 0 HJABMO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000030939000 558745192 /nfs/dbraw/zinc/74/51/92/558745192.db2.gz RPNOUINJHCWNDK-MRXNPFEDSA-N 1 1 421.324 4.631 40 0 HJABMO COc1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(OC)cc1Cl ZINC000030942768 558745968 /nfs/dbraw/zinc/74/59/68/558745968.db2.gz FTCSHUHMYMGXQE-OAHLLOKOSA-N 1 1 402.922 4.841 40 0 HJABMO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000038834780 558817770 /nfs/dbraw/zinc/81/77/70/558817770.db2.gz CYVZKHUIJGJDRL-UHFFFAOYSA-N 1 1 423.340 4.861 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019236809 558855862 /nfs/dbraw/zinc/85/58/62/558855862.db2.gz XOXJGZHJMGRMII-FBLLAGFSSA-N 1 1 403.570 4.929 40 0 HJABMO COc1ccc(-c2ncc(C[NH2+][C@H](Cc3ccsc3)c3ncccc3C)cn2)cc1 ZINC000019237663 558856866 /nfs/dbraw/zinc/85/68/66/558856866.db2.gz VJRQWYFJLWVRCE-JOCHJYFZSA-N 1 1 416.550 4.991 40 0 HJABMO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019370916 558879023 /nfs/dbraw/zinc/87/90/23/558879023.db2.gz TWANSWJNDYJRDR-RCZVLFRGSA-N 1 1 419.594 4.845 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000019400652 558883330 /nfs/dbraw/zinc/88/33/30/558883330.db2.gz LUQCUPUKHROZKV-XMSQKQJNSA-N 1 1 409.530 4.666 40 0 HJABMO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000019400854 558883397 /nfs/dbraw/zinc/88/33/97/558883397.db2.gz KHEZHXZNJZYTMR-OAQYLSRUSA-N 1 1 418.368 4.868 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449582 558888052 /nfs/dbraw/zinc/88/80/52/558888052.db2.gz KYSQRYIBQSQXQT-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccs2)C1 ZINC000019449621 558888299 /nfs/dbraw/zinc/88/82/99/558888299.db2.gz JCJHGZRDGGXCMW-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456045 558891872 /nfs/dbraw/zinc/89/18/72/558891872.db2.gz KVVHGIDFPXOQHE-ZBLYBZFDSA-N 1 1 413.565 4.533 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330445 558934772 /nfs/dbraw/zinc/93/47/72/558934772.db2.gz ABLIGMZVMXTMTD-GJZUVCINSA-N 1 1 421.585 4.740 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cccc(F)c1 ZINC000072330500 558934868 /nfs/dbraw/zinc/93/48/68/558934868.db2.gz VFWHJSAJTQKKPG-RDPSFJRHSA-N 1 1 421.491 4.743 40 0 HJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cn(C)nc3C)no2)cc1OC ZINC000019583846 558937969 /nfs/dbraw/zinc/93/79/69/558937969.db2.gz RMLZIUMENWASPC-FQEVSTJZSA-N 1 1 410.518 4.518 40 0 HJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cn(C)nc3C)no2)cc1OC ZINC000019583846 558937971 /nfs/dbraw/zinc/93/79/71/558937971.db2.gz RMLZIUMENWASPC-FQEVSTJZSA-N 1 1 410.518 4.518 40 0 HJABMO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072345949 558942395 /nfs/dbraw/zinc/94/23/95/558942395.db2.gz VDTBMZDTUOATQE-KRWDZBQOSA-N 1 1 413.447 4.519 40 0 HJABMO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361003 558955775 /nfs/dbraw/zinc/95/57/75/558955775.db2.gz PQMCVRIKGQOQAS-KRWDZBQOSA-N 1 1 416.550 4.536 40 0 HJABMO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@@H+](CCOc4ccccc4)C3)n2)c1 ZINC000072369970 558956099 /nfs/dbraw/zinc/95/60/99/558956099.db2.gz HHLPWIZSOFLNCR-MRXNPFEDSA-N 1 1 403.404 4.624 40 0 HJABMO Fc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ccnc5ccccc45)C3)[nH]n2)cc1 ZINC000072371552 558958429 /nfs/dbraw/zinc/95/84/29/558958429.db2.gz IOZBWZLCSISFHB-LJQANCHMSA-N 1 1 416.500 4.708 40 0 HJABMO Fc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccnc5ccccc45)C3)n[nH]2)cc1 ZINC000072371552 558958430 /nfs/dbraw/zinc/95/84/30/558958430.db2.gz IOZBWZLCSISFHB-LJQANCHMSA-N 1 1 416.500 4.708 40 0 HJABMO Fc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ccnc5ccccc45)C3)n[nH]2)cc1 ZINC000072371552 558958431 /nfs/dbraw/zinc/95/84/31/558958431.db2.gz IOZBWZLCSISFHB-LJQANCHMSA-N 1 1 416.500 4.708 40 0 HJABMO Cc1cc(-c2cn[nH]c2)cc([C@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019691044 558960631 /nfs/dbraw/zinc/96/06/31/558960631.db2.gz JIHSXKOFYQHSRX-XMMPIXPASA-N 1 1 412.541 4.731 40 0 HJABMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019692052 558961662 /nfs/dbraw/zinc/96/16/62/558961662.db2.gz DJWPVAUTLRDJRP-VWLOTQADSA-N 1 1 416.569 4.938 40 0 HJABMO CCn1cc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c(C)n1 ZINC000019694346 558962668 /nfs/dbraw/zinc/96/26/68/558962668.db2.gz LLAUMXMLTMZYAY-QFIPXVFZSA-N 1 1 422.552 4.601 40 0 HJABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377989 558967197 /nfs/dbraw/zinc/96/71/97/558967197.db2.gz CALLHRKSGJFUSK-NRFANRHFSA-N 1 1 410.525 4.851 40 0 HJABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](Cc4cn(C(C)C)c5cc(F)ccc45)C[C@@H]32)nc1 ZINC000072395427 558974328 /nfs/dbraw/zinc/97/43/28/558974328.db2.gz DZMRAUUXLDFVIJ-WSUBETFTSA-N 1 1 407.533 4.794 40 0 HJABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000072398593 558975974 /nfs/dbraw/zinc/97/59/74/558975974.db2.gz DNRLMGSKDNJJNY-QPPBQGQZSA-N 1 1 423.601 4.984 40 0 HJABMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398589 558975984 /nfs/dbraw/zinc/97/59/84/558975984.db2.gz MFADXOOQCKMLBA-MYBSHTFJSA-N 1 1 421.585 4.719 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000072398554 558975993 /nfs/dbraw/zinc/97/59/93/558975993.db2.gz KWMBVWIQXVVXSN-UTKZUKDTSA-N 1 1 418.368 4.868 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000072398554 558975995 /nfs/dbraw/zinc/97/59/95/558975995.db2.gz KWMBVWIQXVVXSN-UTKZUKDTSA-N 1 1 418.368 4.868 40 0 HJABMO O=C(Cc1ccc(Cl)cc1)NC[C@H]1CC[C@H](c2c[nH+]cn2Cc2cccnc2)CC1 ZINC000257202253 558989046 /nfs/dbraw/zinc/98/90/46/558989046.db2.gz ALBKCPBKOQEVAO-XUTJKUGGSA-N 1 1 422.960 4.613 40 0 HJABMO O=C(c1cscn1)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096203119 559101205 /nfs/dbraw/zinc/10/12/05/559101205.db2.gz IYUCZSCHAIZYFF-XMMPIXPASA-N 1 1 403.551 4.548 40 0 HJABMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 ZINC000096315924 559109650 /nfs/dbraw/zinc/10/96/50/559109650.db2.gz OKDWTPCTOVUPTH-QHCPKHFHSA-N 1 1 417.557 4.731 40 0 HJABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936097 559173762 /nfs/dbraw/zinc/17/37/62/559173762.db2.gz YEPDFOQGCJUBHX-SIKLNZKXSA-N 1 1 400.950 4.828 40 0 HJABMO Cc1ccccc1C(=O)c1c2c(sc1NC(=O)C[N@@H+](C)C1CCCCC1)CCC2 ZINC000004889926 560615107 /nfs/dbraw/zinc/61/51/07/560615107.db2.gz SFMLUKIUTSXZSC-UHFFFAOYSA-N 1 1 410.583 4.979 40 0 HJABMO Cc1ccccc1C(=O)c1c2c(sc1NC(=O)C[N@H+](C)C1CCCCC1)CCC2 ZINC000004889926 560615109 /nfs/dbraw/zinc/61/51/09/560615109.db2.gz SFMLUKIUTSXZSC-UHFFFAOYSA-N 1 1 410.583 4.979 40 0 HJABMO COc1ccc(-n2ncc3c2CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C3)cc1 ZINC000057743543 568495526 /nfs/dbraw/zinc/49/55/26/568495526.db2.gz WOKPDAGYHMTVCS-UHFFFAOYSA-N 1 1 401.432 4.848 40 0 HJABMO COc1ccc(-n2ncc3c2CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C3)cc1 ZINC000057743543 568495527 /nfs/dbraw/zinc/49/55/27/568495527.db2.gz WOKPDAGYHMTVCS-UHFFFAOYSA-N 1 1 401.432 4.848 40 0 HJABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000224549933 568584779 /nfs/dbraw/zinc/58/47/79/568584779.db2.gz FALXMAHFKXISFS-UHFFFAOYSA-N 1 1 418.940 4.503 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225636696 568658939 /nfs/dbraw/zinc/65/89/39/568658939.db2.gz KNHXFUCDABLGTH-YOSAUDMPSA-N 1 1 402.579 4.721 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225720332 568667657 /nfs/dbraw/zinc/66/76/57/568667657.db2.gz IMEAFNFHNJZXJU-VIHQBZHPSA-N 1 1 402.579 4.864 40 0 HJABMO Cc1c2ccccc2oc1-c1nnc2sc(C[N@H+]3CC[C@@H](c4ccccc4)C3)nn21 ZINC000096194458 568704074 /nfs/dbraw/zinc/70/40/74/568704074.db2.gz UIRGZUZRRXSKBW-QGZVFWFLSA-N 1 1 415.522 4.897 40 0 HJABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCCCC1 ZINC000260814575 568740180 /nfs/dbraw/zinc/74/01/80/568740180.db2.gz KSEANVLOFORWCB-FQEVSTJZSA-N 1 1 402.579 4.865 40 0 HJABMO Cc1cccnc1Nc1ccc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)nc1 ZINC000257205870 568777943 /nfs/dbraw/zinc/77/79/43/568777943.db2.gz BAXKQJMTAQPHDN-XMMPIXPASA-N 1 1 411.509 4.650 40 0 HJABMO Cc1cccnc1Nc1ccc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)nc1 ZINC000257205870 568777945 /nfs/dbraw/zinc/77/79/45/568777945.db2.gz BAXKQJMTAQPHDN-XMMPIXPASA-N 1 1 411.509 4.650 40 0 HJABMO Cc1nc(Nc2cc(C)nc([C@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)c2)sc1C ZINC000257303616 568805483 /nfs/dbraw/zinc/80/54/83/568805483.db2.gz SHYFAIWMPJRYPW-SFHVURJKSA-N 1 1 410.591 4.628 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)c1C ZINC000257315499 568809025 /nfs/dbraw/zinc/80/90/25/568809025.db2.gz VBRNYFMXNYRRPX-SFHVURJKSA-N 1 1 410.591 4.803 40 0 HJABMO O=C(Cc1ccc(F)cc1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000222015205 569052639 /nfs/dbraw/zinc/05/26/39/569052639.db2.gz JCJRDRMQBOUQLG-VWNXMTODSA-N 1 1 406.545 4.662 40 0 HJABMO C[C@@]1(O)CC[N@@H+](CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290031 569070063 /nfs/dbraw/zinc/07/00/63/569070063.db2.gz VDZWNNVOYSULBK-KYPHJKQUSA-N 1 1 424.560 4.702 40 0 biogenic,in-vitro HJABMO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3C[N@H+]2C1 ZINC000252461637 569286778 /nfs/dbraw/zinc/28/67/78/569286778.db2.gz NEMWYOKGHGSVSC-INZDFQLNSA-N 1 1 415.662 4.563 40 0 biogenic HJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccs1 ZINC000019348965 569345440 /nfs/dbraw/zinc/34/54/40/569345440.db2.gz FICZDQUATVLFHZ-XMSQKQJNSA-N 1 1 409.530 4.666 40 0 HJABMO COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000019567295 569345651 /nfs/dbraw/zinc/34/56/51/569345651.db2.gz WWQFYTGAMRRHEE-GBXCKJPGSA-N 1 1 423.601 4.823 40 0 HJABMO Cn1cc(C[N@@H+]2CCO[C@H](c3nccnc3-c3cccc(Cl)c3)C2)c2ccccc21 ZINC000019693275 569346306 /nfs/dbraw/zinc/34/63/06/569346306.db2.gz RINMIGGKPNYVGB-QFIPXVFZSA-N 1 1 418.928 4.862 40 0 HJABMO Cn1cc(C[N@H+]2CCO[C@H](c3nccnc3-c3cccc(Cl)c3)C2)c2ccccc21 ZINC000019693275 569346307 /nfs/dbraw/zinc/34/63/07/569346307.db2.gz RINMIGGKPNYVGB-QFIPXVFZSA-N 1 1 418.928 4.862 40 0 HJABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000049170243 291275623 /nfs/dbraw/zinc/27/56/23/291275623.db2.gz NJXIGGNGLLAAJS-KRWDZBQOSA-N 1 1 416.447 4.811 40 0 biogenic,in-vitro HJABMO COc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000049170058 291277794 /nfs/dbraw/zinc/27/77/94/291277794.db2.gz ANRILASXSDDZHB-HNNXBMFYSA-N 1 1 403.404 4.754 40 0 biogenic,in-vitro HJABMO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000004237299 291280703 /nfs/dbraw/zinc/28/07/03/291280703.db2.gz RJJCJMULLZOBCS-FUHWJXTLSA-N 1 1 402.519 4.942 40 0 biogenic,in-vitro HJABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 ZINC000019742432 558262639 /nfs/dbraw/zinc/26/26/39/558262639.db2.gz IATGRNUNWXIHRF-JOCHJYFZSA-N 1 1 413.525 4.778 40 0 HJABMO Cc1nc([C@H]2CCC[N@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755514 558274006 /nfs/dbraw/zinc/27/40/06/558274006.db2.gz WFFLOHGXVQWMJY-JOCHJYFZSA-N 1 1 404.489 4.556 40 0 HJABMO COCc1ccc(C(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)cc1 ZINC000012088133 558322929 /nfs/dbraw/zinc/32/29/29/558322929.db2.gz WVOXLZPDUSHBIT-FQEVSTJZSA-N 1 1 420.557 4.711 40 0 HJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)C1 ZINC000020458229 558371245 /nfs/dbraw/zinc/37/12/45/558371245.db2.gz LVEBHYOLPDYJDP-GOSISDBHSA-N 1 1 407.558 4.699 40 0 HJABMO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000030938404 558745102 /nfs/dbraw/zinc/74/51/02/558745102.db2.gz YJTMSVBEDVOSPA-UHFFFAOYSA-N 1 1 409.274 4.578 40 0 HJABMO COC(=O)c1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1Cl ZINC000030938937 558745146 /nfs/dbraw/zinc/74/51/46/558745146.db2.gz PTFUYECESIJHAI-OAHLLOKOSA-N 1 1 400.906 4.611 40 0 HJABMO O=c1c(C[N@@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)coc2ccc(Cl)cc12 ZINC000036740216 558801551 /nfs/dbraw/zinc/80/15/51/558801551.db2.gz VGHVKCYAPNNSQC-SFHVURJKSA-N 1 1 411.933 4.892 40 0 HJABMO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000038833420 558817044 /nfs/dbraw/zinc/81/70/44/558817044.db2.gz WDKXQGMESQESCM-UHFFFAOYSA-N 1 1 401.348 4.917 40 0 HJABMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833988 558817361 /nfs/dbraw/zinc/81/73/61/558817361.db2.gz HAEUJBQDCAAIPQ-HNNXBMFYSA-N 1 1 407.739 4.953 40 0 HJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c(OC)c1 ZINC000038834658 558817749 /nfs/dbraw/zinc/81/77/49/558817749.db2.gz AVMNWYDMNKXQOY-UHFFFAOYSA-N 1 1 423.340 4.861 40 0 HJABMO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c(OC)c1 ZINC000038834641 558817870 /nfs/dbraw/zinc/81/78/70/558817870.db2.gz PHOVDCAFAGKZSO-HNNXBMFYSA-N 1 1 423.340 4.861 40 0 HJABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c(OC)c1 ZINC000038834641 558817871 /nfs/dbraw/zinc/81/78/71/558817871.db2.gz PHOVDCAFAGKZSO-HNNXBMFYSA-N 1 1 423.340 4.861 40 0 HJABMO O=C(NCCSCc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038837429 558818138 /nfs/dbraw/zinc/81/81/38/558818138.db2.gz RLKUDEIDOWBVKO-SFHVURJKSA-N 1 1 420.981 4.741 40 0 HJABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000019081948 558839980 /nfs/dbraw/zinc/83/99/80/558839980.db2.gz GOQUGZPRCNEZDO-GBXCKJPGSA-N 1 1 416.569 4.745 40 0 HJABMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236380 558855561 /nfs/dbraw/zinc/85/55/61/558855561.db2.gz QXHRLJNHXCUZKF-HTAPYJJXSA-N 1 1 418.368 4.725 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019236820 558855877 /nfs/dbraw/zinc/85/58/77/558855877.db2.gz CYNZVDQDPCZVBW-OFVILXPXSA-N 1 1 417.528 4.912 40 0 HJABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000019239793 558858469 /nfs/dbraw/zinc/85/84/69/558858469.db2.gz HLFDRQZIEQRYPN-JOCHJYFZSA-N 1 1 405.521 4.779 40 0 HJABMO Cc1[nH+]ccn1CCCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000019288127 558861192 /nfs/dbraw/zinc/86/11/92/558861192.db2.gz VYKDYJBYJUKVGM-UHFFFAOYSA-N 1 1 409.342 4.965 40 0 HJABMO c1csc([C@@H](Cc2ccsc2)[NH2+]Cc2cccc(OC[C@@H]3CCCO3)c2)n1 ZINC000019330948 558868185 /nfs/dbraw/zinc/86/81/85/558868185.db2.gz AHAJRUKAXIWTCL-VQTJNVASSA-N 1 1 400.569 4.836 40 0 HJABMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cc1 ZINC000019453222 558890800 /nfs/dbraw/zinc/89/08/00/558890800.db2.gz SBBCKIXVVKGWTP-JOCHJYFZSA-N 1 1 418.541 4.503 40 0 HJABMO CCOc1ccccc1C[N@H+](Cc1ccncc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019520166 558901061 /nfs/dbraw/zinc/90/10/61/558901061.db2.gz KNMPUWBSIJRHDS-BJKOFHAPSA-N 1 1 406.501 4.804 40 0 HJABMO CCOc1ccccc1C[N@@H+](Cc1ccncc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019520166 558901063 /nfs/dbraw/zinc/90/10/63/558901063.db2.gz KNMPUWBSIJRHDS-BJKOFHAPSA-N 1 1 406.501 4.804 40 0 HJABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000019568870 558927897 /nfs/dbraw/zinc/92/78/97/558927897.db2.gz PXKLTANHUDJYHZ-CYBMUJFWSA-N 1 1 421.467 4.950 40 0 HJABMO COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCCC1 ZINC000019570551 558929287 /nfs/dbraw/zinc/92/92/87/558929287.db2.gz ZMSYTYZZGNSINU-VABKMULXSA-N 1 1 424.610 4.763 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000072330498 558934802 /nfs/dbraw/zinc/93/48/02/558934802.db2.gz POCFLAXVMYQDQM-YKSBVNFPSA-N 1 1 421.491 4.743 40 0 HJABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072330439 558934833 /nfs/dbraw/zinc/93/48/33/558934833.db2.gz AHYXWHRDNZKYSF-OFVILXPXSA-N 1 1 409.549 4.871 40 0 HJABMO c1ccc(C[N@H+]2CC[C@H](NCc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1 ZINC000072341586 558940018 /nfs/dbraw/zinc/94/00/18/558940018.db2.gz KXBHLDGIMNJBAC-ZEQRLZLVSA-N 1 1 400.522 4.563 40 0 HJABMO c1ccc(C[N@@H+]2CC[C@H](NCc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1 ZINC000072341586 558940019 /nfs/dbraw/zinc/94/00/19/558940019.db2.gz KXBHLDGIMNJBAC-ZEQRLZLVSA-N 1 1 400.522 4.563 40 0 HJABMO Cc1nc([C@@H]2CCCC[N@H+]2CCCc2ccccc2)ncc1C(=O)N1CCCCC1 ZINC000072345529 558942017 /nfs/dbraw/zinc/94/20/17/558942017.db2.gz REKURFZSWBLZCI-QHCPKHFHSA-N 1 1 406.574 4.571 40 0 HJABMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350026 558946821 /nfs/dbraw/zinc/94/68/21/558946821.db2.gz UZQRXIYISKRUKG-GOSISDBHSA-N 1 1 414.475 4.804 40 0 HJABMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350026 558946823 /nfs/dbraw/zinc/94/68/23/558946823.db2.gz UZQRXIYISKRUKG-GOSISDBHSA-N 1 1 414.475 4.804 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c1C ZINC000072372457 558959858 /nfs/dbraw/zinc/95/98/58/558959858.db2.gz PYVUFQDQGZLVTM-VWLOTQADSA-N 1 1 404.558 4.851 40 0 HJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cc(Nc3cnccn3)cc(C)n1)CCC2 ZINC000072372635 558960304 /nfs/dbraw/zinc/96/03/04/558960304.db2.gz FWHNUIHPXDVLFJ-HSZRJFAPSA-N 1 1 415.541 4.758 40 0 HJABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cc(Nc3cnccn3)cc(C)n1)CCC2 ZINC000072372635 558960307 /nfs/dbraw/zinc/96/03/07/558960307.db2.gz FWHNUIHPXDVLFJ-HSZRJFAPSA-N 1 1 415.541 4.758 40 0 HJABMO CCc1nnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)n2)s1 ZINC000072375967 558965085 /nfs/dbraw/zinc/96/50/85/558965085.db2.gz ZVJCXTZJPVXVES-QGZVFWFLSA-N 1 1 409.559 4.627 40 0 HJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cncc(Nc3ncccc3C)n1)CCC2 ZINC000072376350 558965622 /nfs/dbraw/zinc/96/56/22/558965622.db2.gz YUAXSJKQNFIYJR-JOCHJYFZSA-N 1 1 415.541 4.758 40 0 HJABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cncc(Nc3ncccc3C)n1)CCC2 ZINC000072376350 558965624 /nfs/dbraw/zinc/96/56/24/558965624.db2.gz YUAXSJKQNFIYJR-JOCHJYFZSA-N 1 1 415.541 4.758 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)[nH]n2)c1 ZINC000072378317 558967575 /nfs/dbraw/zinc/96/75/75/558967575.db2.gz IPJPZCMDWKDVTB-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)[nH]n2)c1 ZINC000072378317 558967577 /nfs/dbraw/zinc/96/75/77/558967577.db2.gz IPJPZCMDWKDVTB-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000072398555 558975913 /nfs/dbraw/zinc/97/59/13/558975913.db2.gz KWMBVWIQXVVXSN-UWJYYQICSA-N 1 1 418.368 4.868 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000072398555 558975916 /nfs/dbraw/zinc/97/59/16/558975916.db2.gz KWMBVWIQXVVXSN-UWJYYQICSA-N 1 1 418.368 4.868 40 0 HJABMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1 ZINC000019717169 558979536 /nfs/dbraw/zinc/97/95/36/558979536.db2.gz BBPUYPHXUCEMED-UHFFFAOYSA-N 1 1 405.889 4.546 40 0 HJABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)c2cc(C(C)(C)C)oc2C)C3)s1 ZINC000585101779 559024778 /nfs/dbraw/zinc/02/47/78/559024778.db2.gz FWUVXALBBFDCBU-QFIPXVFZSA-N 1 1 401.576 4.531 40 0 HJABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)c2cc(C(C)(C)C)oc2C)C3)s1 ZINC000585101779 559024780 /nfs/dbraw/zinc/02/47/80/559024780.db2.gz FWUVXALBBFDCBU-QFIPXVFZSA-N 1 1 401.576 4.531 40 0 HJABMO Cc1cnc(C[N@H+]2CCC[C@@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)cn1 ZINC000585262838 559111502 /nfs/dbraw/zinc/11/15/02/559111502.db2.gz KXGJIAUYXVLTCY-QGZVFWFLSA-N 1 1 418.932 4.528 40 0 HJABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cccc(F)c2)CC[C@@]1(C)O ZINC000514289803 560031478 /nfs/dbraw/zinc/03/14/78/560031478.db2.gz GKXHRPKFTSFQMS-QNWVGRARSA-N 1 1 418.578 4.506 40 0 biogenic,in-vitro HJABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cccc(F)c2)CC[C@@]1(C)O ZINC000514289803 560031479 /nfs/dbraw/zinc/03/14/79/560031479.db2.gz GKXHRPKFTSFQMS-QNWVGRARSA-N 1 1 418.578 4.506 40 0 biogenic,in-vitro HJABMO O=C(CSc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020238395 560883137 /nfs/dbraw/zinc/88/31/37/560883137.db2.gz MKWCIGGIDZMJHQ-UHFFFAOYSA-N 1 1 402.563 4.713 40 0 HJABMO CCOc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000216471660 568465508 /nfs/dbraw/zinc/46/55/08/568465508.db2.gz HHWYUWLANUBSKK-FQEVSTJZSA-N 1 1 424.585 4.688 40 0 HJABMO CC(C)(C)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224546846 568584606 /nfs/dbraw/zinc/58/46/06/568584606.db2.gz RPLANZGHNZFMSC-UHFFFAOYSA-N 1 1 409.412 4.992 40 0 HJABMO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575408 568653085 /nfs/dbraw/zinc/65/30/85/568653085.db2.gz MTAFOAHCZBBYBK-UHFFFAOYSA-N 1 1 418.896 4.507 40 0 HJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1ccc(Cl)cc1F ZINC000225715747 568667133 /nfs/dbraw/zinc/66/71/33/568667133.db2.gz AMEKDPOGHVQZSR-UHFFFAOYSA-N 1 1 403.910 4.523 40 0 HJABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 ZINC000225729066 568668570 /nfs/dbraw/zinc/66/85/70/568668570.db2.gz UIWUBQUGYFUGOV-BETUJISGSA-N 1 1 418.832 4.757 40 0 HJABMO CCn1c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2sc1=O ZINC000260897266 568743458 /nfs/dbraw/zinc/74/34/58/568743458.db2.gz KJCKFEUDLLRYJZ-INIZCTEOSA-N 1 1 409.555 4.567 40 0 HJABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](Cc3ccccn3)[C@H]1CCCCC(=O)N2 ZINC000257252488 568790895 /nfs/dbraw/zinc/79/08/95/568790895.db2.gz JUZDYPOBUZXBBF-ONTIZHBOSA-N 1 1 417.475 4.865 40 0 HJABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](Cc3ccccn3)[C@H]1CCCCC(=O)N2 ZINC000257252488 568790896 /nfs/dbraw/zinc/79/08/96/568790896.db2.gz JUZDYPOBUZXBBF-ONTIZHBOSA-N 1 1 417.475 4.865 40 0 HJABMO O=C(C[N@H+]1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccc(F)cc1 ZINC000257265269 568794292 /nfs/dbraw/zinc/79/42/92/568794292.db2.gz LXYFUKPQBJCZCA-HXUWFJFHSA-N 1 1 421.491 4.769 40 0 HJABMO O=C(C[N@@H+]1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccc(F)cc1 ZINC000257265269 568794293 /nfs/dbraw/zinc/79/42/93/568794293.db2.gz LXYFUKPQBJCZCA-HXUWFJFHSA-N 1 1 421.491 4.769 40 0 HJABMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@H](CC)CO)cc1 ZINC000001447731 568930640 /nfs/dbraw/zinc/93/06/40/568930640.db2.gz PCOCZDLXNHUKPS-GOSISDBHSA-N 1 1 402.498 4.669 40 0 HJABMO Cc1nc(NC2CCCCC2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000328984875 568971405 /nfs/dbraw/zinc/97/14/05/568971405.db2.gz HPULMMDQXIAJLR-UHFFFAOYSA-N 1 1 401.352 4.855 40 0 HJABMO C[C@@H]1C[N@@H+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C[C@H](C)O1 ZINC000216827660 569025114 /nfs/dbraw/zinc/02/51/14/569025114.db2.gz YDVJMLRUIYNJNU-OKILXGFUSA-N 1 1 401.304 4.867 40 0 HJABMO C[C@@H]1C[N@H+](Cc2ccc3oc(-c4ccccc4Br)nc3c2)C[C@H](C)O1 ZINC000216827660 569025115 /nfs/dbraw/zinc/02/51/15/569025115.db2.gz YDVJMLRUIYNJNU-OKILXGFUSA-N 1 1 401.304 4.867 40 0 HJABMO COc1ccc(-c2cc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)n[nH]2)cc1 ZINC000035317082 569052288 /nfs/dbraw/zinc/05/22/88/569052288.db2.gz LWLUTRYEUPOGNL-KRWDZBQOSA-N 1 1 404.514 4.712 40 0 HJABMO COc1ccc(-c2cc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)[nH]n2)cc1 ZINC000035317082 569052289 /nfs/dbraw/zinc/05/22/89/569052289.db2.gz LWLUTRYEUPOGNL-KRWDZBQOSA-N 1 1 404.514 4.712 40 0 HJABMO COc1ccc(-c2cc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)[nH]n2)cc1 ZINC000035317082 569052290 /nfs/dbraw/zinc/05/22/90/569052290.db2.gz LWLUTRYEUPOGNL-KRWDZBQOSA-N 1 1 404.514 4.712 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CCCC1 ZINC000012408178 569344732 /nfs/dbraw/zinc/34/47/32/569344732.db2.gz BJZPMXNUCFTXNP-AZUAARDMSA-N 1 1 401.551 4.542 40 0 HJABMO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456047 569345472 /nfs/dbraw/zinc/34/54/72/569345472.db2.gz FXAKAGBHVQPKDR-JIPXPUAJSA-N 1 1 413.565 4.533 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019570240 569345818 /nfs/dbraw/zinc/34/58/18/569345818.db2.gz BFNRFIIFQPRIMC-WMZHIEFXSA-N 1 1 421.566 4.535 40 0 HJABMO Clc1cccc(-c2nccnc2[C@H]2C[N@H+](Cc3cccc4ncccc34)CCO2)c1 ZINC000019693277 569428358 /nfs/dbraw/zinc/42/83/58/569428358.db2.gz RMILECLNIVPSPL-JOCHJYFZSA-N 1 1 416.912 4.919 40 0 HJABMO Clc1cccc(-c2nccnc2[C@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)c1 ZINC000019693277 569428359 /nfs/dbraw/zinc/42/83/59/569428359.db2.gz RMILECLNIVPSPL-JOCHJYFZSA-N 1 1 416.912 4.919 40 0 HJABMO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccn2)C1 ZINC000020503197 575369332 /nfs/dbraw/zinc/36/93/32/575369332.db2.gz CPMFUXQEZPPEGB-PKOBYXMFSA-N 1 1 413.546 4.744 40 0 biogenic,in-vitro HJABMO O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc3ccccc3o2)C1 ZINC000005433829 291280718 /nfs/dbraw/zinc/28/07/18/291280718.db2.gz GDLUKZBMRQOGHO-FUHWJXTLSA-N 1 1 402.519 4.942 40 0 biogenic,in-vitro HJABMO O=c1c(/C=C/c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccn2)C1 ZINC000003841854 291280739 /nfs/dbraw/zinc/28/07/39/291280739.db2.gz OEPJMBSJAJUBFK-ZJXRNUBLSA-N 1 1 417.940 4.686 40 0 biogenic,in-vitro HJABMO CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044916109 519782752 /nfs/dbraw/zinc/78/27/52/519782752.db2.gz FSWZHEZTISLMBX-JOCHJYFZSA-N 1 1 412.549 4.574 40 0 HJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)C1 ZINC000044909137 524091371 /nfs/dbraw/zinc/09/13/71/524091371.db2.gz NISZUEVEARGAEG-SFHVURJKSA-N 1 1 400.563 4.721 40 0 HJABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044908888 525418383 /nfs/dbraw/zinc/41/83/83/525418383.db2.gz PGROGBNACNUSPJ-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044906343 526271728 /nfs/dbraw/zinc/27/17/28/526271728.db2.gz GHRVXQLNSALGTD-LJQANCHMSA-N 1 1 405.369 4.954 40 0 HJABMO Cc1nccn1-c1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccccc2F)cc1 ZINC000043277848 527367848 /nfs/dbraw/zinc/36/78/48/527367848.db2.gz PNADAFLDYLIQFD-UHFFFAOYSA-N 1 1 403.505 4.609 40 0 HJABMO CC[NH+]1CCN(C(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1 ZINC000408572113 557469125 /nfs/dbraw/zinc/46/91/25/557469125.db2.gz FFWDXWFBWJDJOX-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO CCN1c2ccccc2C[C@@](CC[N@@H+](C)Cc2ccccc2)(C(N)=O)c2ccccc21 ZINC000005389811 557650101 /nfs/dbraw/zinc/65/01/01/557650101.db2.gz PHPYRCJGEGCQNA-HHHXNRCGSA-N 1 1 413.565 4.646 40 0 HJABMO Cc1nc(NCc2ccccc2F)cc(CC2CCN(C(=O)C[C@H]3C=CCC3)CC2)[nH+]1 ZINC000019758676 558275014 /nfs/dbraw/zinc/27/50/14/558275014.db2.gz BACCPDWXLPJSDC-IBGZPJMESA-N 1 1 422.548 4.674 40 0 HJABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc3ccccc3nc2N(C)C)s1 ZINC000012147031 558338086 /nfs/dbraw/zinc/33/80/86/558338086.db2.gz ZANJUKLUWMTOOC-UHFFFAOYSA-N 1 1 419.598 4.960 40 0 HJABMO O=C(Nc1ccc(Br)cc1F)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030938560 558745126 /nfs/dbraw/zinc/74/51/26/558745126.db2.gz YBCRIHYJZRWQAI-CQSZACIVSA-N 1 1 409.274 4.578 40 0 HJABMO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000030943491 558745810 /nfs/dbraw/zinc/74/58/10/558745810.db2.gz XZJBLIKRWFYBET-MRXNPFEDSA-N 1 1 420.340 4.803 40 0 HJABMO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000030943491 558745813 /nfs/dbraw/zinc/74/58/13/558745813.db2.gz XZJBLIKRWFYBET-MRXNPFEDSA-N 1 1 420.340 4.803 40 0 HJABMO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030946106 558746468 /nfs/dbraw/zinc/74/64/68/558746468.db2.gz QGTFZXOYXNOATN-KRWDZBQOSA-N 1 1 421.368 4.873 40 0 HJABMO S=C(Nc1ccccc1Cl)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000033915752 558772211 /nfs/dbraw/zinc/77/22/11/558772211.db2.gz KEATZXBGXZSMPR-XWDORNJCSA-N 1 1 402.007 4.932 40 0 HJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c(OC)c1 ZINC000038834640 558817816 /nfs/dbraw/zinc/81/78/16/558817816.db2.gz PHOVDCAFAGKZSO-OAHLLOKOSA-N 1 1 423.340 4.861 40 0 HJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c(OC)c1 ZINC000038834640 558817818 /nfs/dbraw/zinc/81/78/18/558817818.db2.gz PHOVDCAFAGKZSO-OAHLLOKOSA-N 1 1 423.340 4.861 40 0 HJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000038853373 558819042 /nfs/dbraw/zinc/81/90/42/558819042.db2.gz GMZOCMKNJBOJOO-UHFFFAOYSA-N 1 1 417.937 4.696 40 0 HJABMO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038852213 558819055 /nfs/dbraw/zinc/81/90/55/558819055.db2.gz OCXSVCGMCWOSJH-UHFFFAOYSA-N 1 1 403.419 4.853 40 0 HJABMO Cc1ncc(C[N@@H+]2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019287224 558860825 /nfs/dbraw/zinc/86/08/25/558860825.db2.gz MVKZBCHETYPALL-HNNXBMFYSA-N 1 1 419.451 4.843 40 0 HJABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(F)c3F)CC[C@@H]21 ZINC000019292750 558864484 /nfs/dbraw/zinc/86/44/84/558864484.db2.gz QQHJZGVSILVRTA-ZJOUEHCJSA-N 1 1 416.537 4.643 40 0 HJABMO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019370918 558879056 /nfs/dbraw/zinc/87/90/56/558879056.db2.gz TWANSWJNDYJRDR-DHLKQENFSA-N 1 1 419.594 4.845 40 0 HJABMO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000019400797 558883325 /nfs/dbraw/zinc/88/33/25/558883325.db2.gz DMGCMOMRERMYSQ-NRFANRHFSA-N 1 1 418.368 4.868 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449592 558887987 /nfs/dbraw/zinc/88/79/87/558887987.db2.gz PGIHKKGNNIHGLW-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449590 558888016 /nfs/dbraw/zinc/88/80/16/558888016.db2.gz PGIHKKGNNIHGLW-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449625 558888310 /nfs/dbraw/zinc/88/83/10/558888310.db2.gz XXCAYAVYCCBPKR-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO COc1cccc(-c2cccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)c2)c1 ZINC000019566719 558926263 /nfs/dbraw/zinc/92/62/63/558926263.db2.gz LBNDXIJOECADRH-VKSRLUHHSA-N 1 1 414.549 4.877 40 0 HJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000019568927 558928168 /nfs/dbraw/zinc/92/81/68/558928168.db2.gz NUKXZYKENZPWCP-OFVILXPXSA-N 1 1 421.585 4.854 40 0 HJABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072330438 558934721 /nfs/dbraw/zinc/93/47/21/558934721.db2.gz AHYXWHRDNZKYSF-BWKNWUBXSA-N 1 1 409.549 4.871 40 0 HJABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000019586523 558939679 /nfs/dbraw/zinc/93/96/79/558939679.db2.gz IFWGEOSMPBRJOL-VWLOTQADSA-N 1 1 418.512 4.584 40 0 HJABMO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072345961 558942542 /nfs/dbraw/zinc/94/25/42/558942542.db2.gz BLZWHMCJTFGZRN-QGZVFWFLSA-N 1 1 413.447 4.519 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000019690309 558959577 /nfs/dbraw/zinc/95/95/77/558959577.db2.gz ZTJMPQXKZLCCCE-FQEVSTJZSA-N 1 1 414.475 4.804 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)[nH]n2)cc1 ZINC000019703684 558967691 /nfs/dbraw/zinc/96/76/91/558967691.db2.gz UIJHTFBRCPNETM-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)[nH]n2)cc1 ZINC000019703684 558967692 /nfs/dbraw/zinc/96/76/92/558967692.db2.gz UIJHTFBRCPNETM-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000585165373 559066422 /nfs/dbraw/zinc/06/64/22/559066422.db2.gz LIXDECDNUFAKLZ-HXUWFJFHSA-N 1 1 422.960 4.715 40 0 HJABMO Cc1ccnc(Nc2cc([C@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)nc(C)n2)c1 ZINC000585169386 559068051 /nfs/dbraw/zinc/06/80/51/559068051.db2.gz HOKDXDXBHZQWFB-SFHVURJKSA-N 1 1 409.484 4.890 40 0 HJABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096245598 559105202 /nfs/dbraw/zinc/10/52/02/559105202.db2.gz MBKQVMDLCDLFBL-PSWAGMNNSA-N 1 1 411.549 4.914 40 0 HJABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000004858897 560612531 /nfs/dbraw/zinc/61/25/31/560612531.db2.gz VVPPLVHDGAWQOT-UHFFFAOYSA-N 1 1 420.582 4.715 40 0 HJABMO O=C(c1ccc(CSc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020238848 560883255 /nfs/dbraw/zinc/88/32/55/560883255.db2.gz RTGQMDIROPKGRI-UHFFFAOYSA-N 1 1 402.563 4.937 40 0 HJABMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005164439 568441928 /nfs/dbraw/zinc/44/19/28/568441928.db2.gz VRUITDXLWLLLDF-ZODMCCGTSA-N 1 1 410.533 4.749 40 0 HJABMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000005164439 568441930 /nfs/dbraw/zinc/44/19/30/568441930.db2.gz VRUITDXLWLLLDF-ZODMCCGTSA-N 1 1 410.533 4.749 40 0 HJABMO COc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=[NH+]CCCCC2)cc1 ZINC000007275521 568479473 /nfs/dbraw/zinc/47/94/73/568479473.db2.gz OJDHBZAIBOIRJP-UHFFFAOYSA-N 1 1 402.441 4.958 40 0 HJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc2)C1 ZINC000219240670 568488204 /nfs/dbraw/zinc/48/82/04/568488204.db2.gz WQUIDTCIFREKOS-INIZCTEOSA-N 1 1 424.932 4.552 40 0 HJABMO COc1ccc(-c2nnc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)s2)cc1 ZINC000223253705 568542742 /nfs/dbraw/zinc/54/27/42/568542742.db2.gz LVCCNWNMDWCXLE-MRXNPFEDSA-N 1 1 422.554 4.698 40 0 HJABMO O=C(NCCOc1ccc2ccccc2c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223637665 568554349 /nfs/dbraw/zinc/55/43/49/568554349.db2.gz UBXGJKPQTQIBBR-JOCHJYFZSA-N 1 1 422.956 4.900 40 0 HJABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000224544686 568584421 /nfs/dbraw/zinc/58/44/21/568584421.db2.gz PNYDMQLBQUBCEW-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000225573916 568652864 /nfs/dbraw/zinc/65/28/64/568652864.db2.gz PDGNBCRMSIXDOA-HNNXBMFYSA-N 1 1 404.913 4.577 40 0 HJABMO c1c2ccccc2oc1-c1nnc2sc(CC[N@H+]3CC[C@@H](c4ccccc4)C3)nn21 ZINC000096194459 568704259 /nfs/dbraw/zinc/70/42/59/568704259.db2.gz VSAJFDHXTQTLNB-GOSISDBHSA-N 1 1 415.522 4.631 40 0 HJABMO Cc1cc(Nc2cnccn2)cc(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)n1 ZINC000257238676 568787129 /nfs/dbraw/zinc/78/71/29/568787129.db2.gz HMAKKFLWNKYPFL-UHFFFAOYSA-N 1 1 410.525 4.851 40 0 HJABMO COc1cc(C)ccc1CNc1cc(-c2c[nH]nc2[C@@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000257253026 568791210 /nfs/dbraw/zinc/79/12/10/568791210.db2.gz JXHQBHUXMKSZCM-HXUWFJFHSA-N 1 1 405.546 4.599 40 0 HJABMO Cc1cccnc1Nc1ccc([C@@H]2C[N@H+](Cc3cccc4ncccc34)CCO2)nc1 ZINC000257256716 568792131 /nfs/dbraw/zinc/79/21/31/568792131.db2.gz KMODGUWFAXWQNU-DEOSSOPVSA-N 1 1 411.509 4.650 40 0 HJABMO Cc1cccnc1Nc1ccc([C@@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)nc1 ZINC000257256716 568792133 /nfs/dbraw/zinc/79/21/33/568792133.db2.gz KMODGUWFAXWQNU-DEOSSOPVSA-N 1 1 411.509 4.650 40 0 HJABMO c1coc(C[N@H+]2CC[C@@]3(c4ccccc4)CCc4ncc(-c5ccncc5)n4C[C@@H]23)c1 ZINC000306141509 568903130 /nfs/dbraw/zinc/90/31/30/568903130.db2.gz VYQVBDIBROBISY-AOYPEHQESA-N 1 1 410.521 4.697 40 0 HJABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)C2 ZINC000328984904 568971418 /nfs/dbraw/zinc/97/14/18/568971418.db2.gz HQKGLIDGHYKWFD-UHFFFAOYSA-N 1 1 406.574 4.889 40 0 HJABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)C2 ZINC000328984904 568971421 /nfs/dbraw/zinc/97/14/21/568971421.db2.gz HQKGLIDGHYKWFD-UHFFFAOYSA-N 1 1 406.574 4.889 40 0 HJABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329065956 568975336 /nfs/dbraw/zinc/97/53/36/568975336.db2.gz XVVUYISVGPPTAR-UHFFFAOYSA-N 1 1 414.553 4.756 40 0 HJABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329065956 568975338 /nfs/dbraw/zinc/97/53/38/568975338.db2.gz XVVUYISVGPPTAR-UHFFFAOYSA-N 1 1 414.553 4.756 40 0 HJABMO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3Cl)cc12 ZINC000026440727 569031836 /nfs/dbraw/zinc/03/18/36/569031836.db2.gz HDAQMYAKBALKPS-UHFFFAOYSA-N 1 1 420.944 4.955 40 0 HJABMO C[C@H](C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000248137584 569316338 /nfs/dbraw/zinc/31/63/38/569316338.db2.gz AMPDDSIZYOYEQN-KAGYGMCKSA-N 1 1 420.582 4.525 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019570222 569345749 /nfs/dbraw/zinc/34/57/49/569345749.db2.gz ABLIGMZVMXTMTD-BKMJKUGQSA-N 1 1 421.585 4.740 40 0 HJABMO Fc1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4ccc5ncccc5c4)C3)n[nH]2)cc1 ZINC000019704546 569347644 /nfs/dbraw/zinc/34/76/44/569347644.db2.gz VEEMCFDGLUKKES-IBGZPJMESA-N 1 1 402.473 4.666 40 0 HJABMO Fc1ccc(OCc2cc([C@H]3CC[N@H+](Cc4ccc5ncccc5c4)C3)[nH]n2)cc1 ZINC000019704546 569347645 /nfs/dbraw/zinc/34/76/45/569347645.db2.gz VEEMCFDGLUKKES-IBGZPJMESA-N 1 1 402.473 4.666 40 0 HJABMO Fc1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4ccc5ncccc5c4)C3)[nH]n2)cc1 ZINC000019704546 569347646 /nfs/dbraw/zinc/34/76/46/569347646.db2.gz VEEMCFDGLUKKES-IBGZPJMESA-N 1 1 402.473 4.666 40 0 HJABMO CC(C)n1c(C[N@H+]2CC[C@@H](c3cc(COc4ccccc4)[nH]n3)C2)nc2ccccc21 ZINC000019704709 569347728 /nfs/dbraw/zinc/34/77/28/569347728.db2.gz KNNAHSVSPXTPMT-LJQANCHMSA-N 1 1 415.541 4.909 40 0 HJABMO CC(C)n1c(C[N@@H+]2CC[C@@H](c3cc(COc4ccccc4)n[nH]3)C2)nc2ccccc21 ZINC000019704709 569347730 /nfs/dbraw/zinc/34/77/30/569347730.db2.gz KNNAHSVSPXTPMT-LJQANCHMSA-N 1 1 415.541 4.909 40 0 HJABMO CC(C)n1c(C[N@H+]2CC[C@@H](c3cc(COc4ccccc4)n[nH]3)C2)nc2ccccc21 ZINC000019704709 569347731 /nfs/dbraw/zinc/34/77/31/569347731.db2.gz KNNAHSVSPXTPMT-LJQANCHMSA-N 1 1 415.541 4.909 40 0 HJABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(C3CC3)[nH+]c(NC3CCCC3)n1)CC2 ZINC000329065087 571304923 /nfs/dbraw/zinc/30/49/23/571304923.db2.gz XOYXFPDMMBBJKT-UHFFFAOYSA-N 1 1 418.463 5.170 40 0 HJABMO CCOC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)ccc1Cl ZINC000044939611 521441304 /nfs/dbraw/zinc/44/13/04/521441304.db2.gz SLENRXJESSPNFU-MRXNPFEDSA-N 1 1 418.896 4.507 40 0 HJABMO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044852670 525304311 /nfs/dbraw/zinc/30/43/11/525304311.db2.gz DIICXXXABWXOGN-OAQYLSRUSA-N 1 1 414.549 4.751 40 0 HJABMO Cc1ccc(-n2cccc2C[N@@H+](CCCn2ccnc2)Cc2cccc(F)c2)nc1 ZINC000043277732 525912221 /nfs/dbraw/zinc/91/22/21/525912221.db2.gz ZNUSOWPNOKWGGO-UHFFFAOYSA-N 1 1 403.505 4.609 40 0 HJABMO Cc1nc(-c2cccnc2)sc1C(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225859571 526612591 /nfs/dbraw/zinc/61/25/91/526612591.db2.gz NZFNKEFJOFLPBQ-UHFFFAOYSA-N 1 1 423.929 4.557 40 0 HJABMO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044915804 527411004 /nfs/dbraw/zinc/41/10/04/527411004.db2.gz MNXNPNPZEABGQN-NRFANRHFSA-N 1 1 416.496 4.907 40 0 HJABMO C[NH+]1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 ZINC000408629149 557563166 /nfs/dbraw/zinc/56/31/66/557563166.db2.gz MARKDUQIKLOAGC-UHFFFAOYSA-N 1 1 401.982 4.637 40 0 HJABMO O=C(Nc1nccs1)c1cc([C@@H]2C[N@H+](C3CCCCC3)CCO2)nc2ccccc21 ZINC000019754433 558273782 /nfs/dbraw/zinc/27/37/82/558273782.db2.gz ZCPZNILGWOHXBI-NRFANRHFSA-N 1 1 422.554 4.650 40 0 HJABMO CC(C)c1cc(C(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)on1 ZINC000012128082 558331773 /nfs/dbraw/zinc/33/17/73/558331773.db2.gz OFCLVNHACAWTSX-MRXNPFEDSA-N 1 1 409.534 4.676 40 0 HJABMO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020460056 558372420 /nfs/dbraw/zinc/37/24/20/558372420.db2.gz GENSBTZKYIDIBQ-OAHLLOKOSA-N 1 1 400.906 4.611 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000012408209 558399130 /nfs/dbraw/zinc/39/91/30/558399130.db2.gz RRXVUHBFJQNFRY-PZJWPPBQSA-N 1 1 409.530 4.666 40 0 HJABMO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038834763 558817730 /nfs/dbraw/zinc/81/77/30/558817730.db2.gz ZULJKLRUQWNWCW-OAHLLOKOSA-N 1 1 423.340 4.861 40 0 HJABMO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038834763 558817732 /nfs/dbraw/zinc/81/77/32/558817732.db2.gz ZULJKLRUQWNWCW-OAHLLOKOSA-N 1 1 423.340 4.861 40 0 HJABMO O=C(Nc1ccccc1Br)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834882 558817860 /nfs/dbraw/zinc/81/78/60/558817860.db2.gz DCUDODIPSVJOGB-OAHLLOKOSA-N 1 1 407.739 4.953 40 0 HJABMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038849346 558818435 /nfs/dbraw/zinc/81/84/35/558818435.db2.gz XMKSYCOBRLAMJU-UHFFFAOYSA-N 1 1 407.297 4.573 40 0 HJABMO CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038855168 558819255 /nfs/dbraw/zinc/81/92/55/558819255.db2.gz WVBDWYJDVXQJES-LJQANCHMSA-N 1 1 407.558 4.557 40 0 HJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000038860713 558819550 /nfs/dbraw/zinc/81/95/50/558819550.db2.gz ZZMFSUUYHSYUPW-UHFFFAOYSA-N 1 1 404.695 4.908 40 0 HJABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019236842 558856183 /nfs/dbraw/zinc/85/61/83/558856183.db2.gz VCDXCLFDGWAWMW-SQJMNOBHSA-N 1 1 417.528 4.912 40 0 HJABMO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)o1 ZINC000019238720 558857498 /nfs/dbraw/zinc/85/74/98/558857498.db2.gz KRBUKGVFWNJUSW-UHFFFAOYSA-N 1 1 417.918 4.868 40 0 HJABMO Cc1cnccc1C[N@@H+]1CCC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019239517 558858009 /nfs/dbraw/zinc/85/80/09/558858009.db2.gz PNHAIGLWJIJXJO-QGZVFWFLSA-N 1 1 417.479 4.955 40 0 HJABMO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](C2CCCC2)C1 ZINC000019447314 558886539 /nfs/dbraw/zinc/88/65/39/558886539.db2.gz RJIPUERLYCGXHS-AREMUKBSSA-N 1 1 405.586 4.698 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449633 558888206 /nfs/dbraw/zinc/88/82/06/558888206.db2.gz WEUOTDIIIKOIMM-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)cc2n1 ZINC000019452290 558890128 /nfs/dbraw/zinc/89/01/28/558890128.db2.gz QMNCDPOBKVPWBZ-INIZCTEOSA-N 1 1 403.452 4.646 40 0 HJABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cccnc2NC)C1 ZINC000019522021 558903217 /nfs/dbraw/zinc/90/32/17/558903217.db2.gz QLAOTCXUIXOEOA-CYBMUJFWSA-N 1 1 419.451 4.620 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000072330499 558934742 /nfs/dbraw/zinc/93/47/42/558934742.db2.gz POCFLAXVMYQDQM-RDPSFJRHSA-N 1 1 421.491 4.743 40 0 HJABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000072330442 558934841 /nfs/dbraw/zinc/93/48/41/558934841.db2.gz GVMOOXRARZPCAJ-BWKNWUBXSA-N 1 1 409.549 4.871 40 0 HJABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072330774 558935171 /nfs/dbraw/zinc/93/51/71/558935171.db2.gz FFUFRNCBEZQEJL-XXBNENTESA-N 1 1 409.574 4.514 40 0 HJABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000072350216 558947106 /nfs/dbraw/zinc/94/71/06/558947106.db2.gz DAMHNSDVUWQNGX-HXUWFJFHSA-N 1 1 411.977 4.516 40 0 HJABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352456 558948698 /nfs/dbraw/zinc/94/86/98/558948698.db2.gz IYQXBHJSWMYSBF-GOSISDBHSA-N 1 1 401.535 4.799 40 0 HJABMO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000072358520 558954160 /nfs/dbraw/zinc/95/41/60/558954160.db2.gz GZYCWOMNHLCFQU-QFIPXVFZSA-N 1 1 400.526 4.524 40 0 HJABMO CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370652 558957040 /nfs/dbraw/zinc/95/70/40/558957040.db2.gz LHVIXRSUENPPMS-QGZVFWFLSA-N 1 1 410.587 4.750 40 0 HJABMO CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ncc[nH]1 ZINC000072370652 558957042 /nfs/dbraw/zinc/95/70/42/558957042.db2.gz LHVIXRSUENPPMS-QGZVFWFLSA-N 1 1 410.587 4.750 40 0 HJABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000072372695 558960610 /nfs/dbraw/zinc/96/06/10/558960610.db2.gz MFIXDYRVMWKUJR-JOCHJYFZSA-N 1 1 415.541 4.974 40 0 HJABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000072372695 558960612 /nfs/dbraw/zinc/96/06/12/558960612.db2.gz MFIXDYRVMWKUJR-JOCHJYFZSA-N 1 1 415.541 4.974 40 0 HJABMO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000019690998 558960658 /nfs/dbraw/zinc/96/06/58/558960658.db2.gz DCKCWDUIJIZUMN-HSZRJFAPSA-N 1 1 400.526 4.898 40 0 HJABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cn1 ZINC000019691925 558961496 /nfs/dbraw/zinc/96/14/96/558961496.db2.gz MPZJXKKQPFZYNY-RUZDIDTESA-N 1 1 416.569 4.605 40 0 HJABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cn1 ZINC000019691925 558961497 /nfs/dbraw/zinc/96/14/97/558961497.db2.gz MPZJXKKQPFZYNY-RUZDIDTESA-N 1 1 416.569 4.605 40 0 HJABMO Cc1nc([C@H]2CCCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019696075 558964366 /nfs/dbraw/zinc/96/43/66/558964366.db2.gz YLANPNBTAHOPPP-HSZRJFAPSA-N 1 1 418.585 4.777 40 0 HJABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019696075 558964367 /nfs/dbraw/zinc/96/43/67/558964367.db2.gz YLANPNBTAHOPPP-HSZRJFAPSA-N 1 1 418.585 4.777 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccncc3)[nH]n2)cc1 ZINC000019703708 558967654 /nfs/dbraw/zinc/96/76/54/558967654.db2.gz KZTJVNYPGJMZAH-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccncc3)[nH]n2)cc1 ZINC000019703708 558967657 /nfs/dbraw/zinc/96/76/57/558967657.db2.gz KZTJVNYPGJMZAH-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO O=C(c1cscn1)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096203118 559101200 /nfs/dbraw/zinc/10/12/00/559101200.db2.gz IYUCZSCHAIZYFF-DEOSSOPVSA-N 1 1 403.551 4.548 40 0 HJABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@H+]2CCCc2ccccc2)C1 ZINC000096214559 559101690 /nfs/dbraw/zinc/10/16/90/559101690.db2.gz UMKXCOGKKPVWFP-VWLOTQADSA-N 1 1 410.989 4.972 40 0 HJABMO C[N@@H+](c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1)C1CCCCC1 ZINC000013563108 560816107 /nfs/dbraw/zinc/81/61/07/560816107.db2.gz UFOLLEONSHBVOI-UHFFFAOYSA-N 1 1 405.498 4.638 40 0 HJABMO C[N@H+](c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1)C1CCCCC1 ZINC000013563108 560816108 /nfs/dbraw/zinc/81/61/08/560816108.db2.gz UFOLLEONSHBVOI-UHFFFAOYSA-N 1 1 405.498 4.638 40 0 HJABMO S=C(c1ccccc1OCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019842624 560876314 /nfs/dbraw/zinc/87/63/14/560876314.db2.gz MSSLADNTQGZPQX-UHFFFAOYSA-N 1 1 402.563 4.759 40 0 HJABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000005191373 568442670 /nfs/dbraw/zinc/44/26/70/568442670.db2.gz QMRMWHQBABTUIB-ZSQFBXSQSA-N 1 1 422.569 4.619 40 0 HJABMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000005191373 568442671 /nfs/dbraw/zinc/44/26/71/568442671.db2.gz QMRMWHQBABTUIB-ZSQFBXSQSA-N 1 1 422.569 4.619 40 0 HJABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000005218915 568442753 /nfs/dbraw/zinc/44/27/53/568442753.db2.gz ARYCMISIZKOYJP-PUHATCMVSA-N 1 1 416.924 4.786 40 0 HJABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000005218915 568442755 /nfs/dbraw/zinc/44/27/55/568442755.db2.gz ARYCMISIZKOYJP-PUHATCMVSA-N 1 1 416.924 4.786 40 0 HJABMO CCOC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000022913812 568500522 /nfs/dbraw/zinc/50/05/22/568500522.db2.gz OYUFVKZGNALTQT-UHFFFAOYSA-N 1 1 414.505 4.674 40 0 HJABMO O=C(COc1ccc(Cl)cc1)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222971861 568532646 /nfs/dbraw/zinc/53/26/46/568532646.db2.gz UIJPOWBBIOMHBD-UHFFFAOYSA-N 1 1 404.297 4.539 40 0 HJABMO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225586489 568654678 /nfs/dbraw/zinc/65/46/78/568654678.db2.gz SKCNIPHJPRTUOA-QGZVFWFLSA-N 1 1 418.940 4.583 40 0 HJABMO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225591334 568655185 /nfs/dbraw/zinc/65/51/85/568655185.db2.gz PYLSUKDXRXDOAA-HNNXBMFYSA-N 1 1 404.913 4.577 40 0 HJABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225631684 568658739 /nfs/dbraw/zinc/65/87/39/568658739.db2.gz RVSBWLFEKMIUQC-HXUWFJFHSA-N 1 1 402.579 4.865 40 0 HJABMO CO[C@@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225636734 568658902 /nfs/dbraw/zinc/65/89/02/568658902.db2.gz WYOVNAMKXAJKJT-NMMYMHLASA-N 1 1 402.579 4.864 40 0 HJABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225734592 568669185 /nfs/dbraw/zinc/66/91/85/568669185.db2.gz SQVMYWLVQCQDPP-YKSBVNFPSA-N 1 1 404.595 4.967 40 0 HJABMO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225901057 568684486 /nfs/dbraw/zinc/68/44/86/568684486.db2.gz ABWVONLBYQGXMU-FUHWJXTLSA-N 1 1 413.359 4.639 40 0 HJABMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCOc2ccccc21 ZINC000225907176 568685140 /nfs/dbraw/zinc/68/51/40/568685140.db2.gz PQQIIKJGSXGBEX-MRXNPFEDSA-N 1 1 405.325 4.631 40 0 HJABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCOc2ccccc21 ZINC000225907176 568685142 /nfs/dbraw/zinc/68/51/42/568685142.db2.gz PQQIIKJGSXGBEX-MRXNPFEDSA-N 1 1 405.325 4.631 40 0 HJABMO COc1cccc(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000225910774 568685331 /nfs/dbraw/zinc/68/53/31/568685331.db2.gz DXCWXHDLNRODRX-HNNXBMFYSA-N 1 1 407.341 4.877 40 0 HJABMO COc1ccc(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910686 568685353 /nfs/dbraw/zinc/68/53/53/568685353.db2.gz ZWGMXLHHMFMBOC-HNNXBMFYSA-N 1 1 407.341 4.877 40 0 HJABMO COc1ccc(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910665 568685406 /nfs/dbraw/zinc/68/54/06/568685406.db2.gz ZWGMXLHHMFMBOC-OAHLLOKOSA-N 1 1 407.341 4.877 40 0 HJABMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000247867242 568745795 /nfs/dbraw/zinc/74/57/95/568745795.db2.gz JLXOAABJPNYWPB-VAPDBKPJSA-N 1 1 418.585 4.555 40 0 HJABMO CCn1cc(C[N@H+]2CC[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257258781 568792487 /nfs/dbraw/zinc/79/24/87/568792487.db2.gz KVMNTDDNIHGAED-SFHVURJKSA-N 1 1 410.591 4.721 40 0 HJABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000257277611 568797726 /nfs/dbraw/zinc/79/77/26/568797726.db2.gz NYSOWCJRIJGYNO-KRWDZBQOSA-N 1 1 401.535 4.799 40 0 HJABMO CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccccc1)[N@H+]2Cc1cccc(O)c1 ZINC000257286052 568800268 /nfs/dbraw/zinc/80/02/68/568800268.db2.gz PJZWMMINOJTVFS-KYPHJKQUSA-N 1 1 406.570 4.615 40 0 HJABMO Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1n[nH]cc1C(=O)N(C)Cc1ccccc1 ZINC000257298200 568803924 /nfs/dbraw/zinc/80/39/24/568803924.db2.gz RKPPATMXPDPCNO-HSZRJFAPSA-N 1 1 402.542 4.718 40 0 HJABMO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1n[nH]cc1C(=O)N(C)Cc1ccccc1 ZINC000257298200 568803927 /nfs/dbraw/zinc/80/39/27/568803927.db2.gz RKPPATMXPDPCNO-HSZRJFAPSA-N 1 1 402.542 4.718 40 0 HJABMO COc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)cc1Cn1cccn1 ZINC000013569748 569051986 /nfs/dbraw/zinc/05/19/86/569051986.db2.gz AIZFLINTKNGXJR-UHFFFAOYSA-N 1 1 404.539 4.599 40 0 HJABMO COc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)cc1Cn1cccn1 ZINC000013569748 569051987 /nfs/dbraw/zinc/05/19/87/569051987.db2.gz AIZFLINTKNGXJR-UHFFFAOYSA-N 1 1 404.539 4.599 40 0 HJABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCC[N@H+]3C[C@H]3CCOC3)nn21 ZINC000247663413 569315482 /nfs/dbraw/zinc/31/54/82/569315482.db2.gz UQQTWWUFYFFZMD-CJNGLKHVSA-N 1 1 422.476 4.650 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000248132327 569316365 /nfs/dbraw/zinc/31/63/65/569316365.db2.gz XOXJGZHJMGRMII-RQTOMXEWSA-N 1 1 403.570 4.929 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019570238 569345769 /nfs/dbraw/zinc/34/57/69/569345769.db2.gz BFNRFIIFQPRIMC-AUSIDOKSSA-N 1 1 421.566 4.535 40 0 HJABMO COc1ccccc1OCc1cc([C@@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)n[nH]1 ZINC000019704357 569347549 /nfs/dbraw/zinc/34/75/49/569347549.db2.gz KJSYWQVRJBIKGW-LJQANCHMSA-N 1 1 414.509 4.535 40 0 HJABMO COc1ccccc1OCc1cc([C@@H]2CC[N@H+](Cc3cccc4ncccc34)C2)[nH]n1 ZINC000019704357 569347550 /nfs/dbraw/zinc/34/75/50/569347550.db2.gz KJSYWQVRJBIKGW-LJQANCHMSA-N 1 1 414.509 4.535 40 0 HJABMO COc1ccccc1OCc1cc([C@@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)[nH]n1 ZINC000019704357 569347551 /nfs/dbraw/zinc/34/75/51/569347551.db2.gz KJSYWQVRJBIKGW-LJQANCHMSA-N 1 1 414.509 4.535 40 0 HJABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)n[nH]2)cc1 ZINC000019704270 569347577 /nfs/dbraw/zinc/34/75/77/569347577.db2.gz WDBHFFVNRRPQNS-FQEVSTJZSA-N 1 1 419.573 4.563 40 0 HJABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)[nH]n2)cc1 ZINC000019704270 569347578 /nfs/dbraw/zinc/34/75/78/569347578.db2.gz WDBHFFVNRRPQNS-FQEVSTJZSA-N 1 1 419.573 4.563 40 0 HJABMO CC(C)c1ccc(OCc2cc([C@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)[nH]n2)cc1 ZINC000019704270 569347579 /nfs/dbraw/zinc/34/75/79/569347579.db2.gz WDBHFFVNRRPQNS-FQEVSTJZSA-N 1 1 419.573 4.563 40 0 HJABMO Cc1ccccc1CN1C(=O)CCCC[C@H]2[N@@H+](Cc3cnc(C(C)C)nc3)CC[C@]21C ZINC000019713380 569348379 /nfs/dbraw/zinc/34/83/79/569348379.db2.gz VJGXKKFNXJYXOW-ZEQKJWHPSA-N 1 1 420.601 4.844 40 0 HJABMO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000019738742 569348600 /nfs/dbraw/zinc/34/86/00/569348600.db2.gz REARGFREOMOAEP-QHCPKHFHSA-N 1 1 420.594 4.932 40 0 HJABMO C[C@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000070688102 569413432 /nfs/dbraw/zinc/41/34/32/569413432.db2.gz YRLBRLSLZIRTGX-MLQUENCRSA-N 1 1 413.646 4.627 40 0 biogenic HJABMO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)[N@@H+]2Cc2ccnc3ccccc23)N1 ZINC000019713915 569429019 /nfs/dbraw/zinc/42/90/19/569429019.db2.gz MIARSAFXPJLUGQ-IEZKXTBUSA-N 1 1 417.528 4.618 40 0 HJABMO CC(C)[N@@H+]1C=C(Cc2ccc(F)cc2)C2=C(C1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 ZINC000020459292 571314600 /nfs/dbraw/zinc/31/46/00/571314600.db2.gz FADZMELJKLGBMW-HSZRJFAPSA-N 1 1 419.475 4.877 40 0 HJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)C1 ZINC000044909134 524231960 /nfs/dbraw/zinc/23/19/60/524231960.db2.gz NISZUEVEARGAEG-GOSISDBHSA-N 1 1 400.563 4.721 40 0 HJABMO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044909278 526276434 /nfs/dbraw/zinc/27/64/34/526276434.db2.gz OUSISYOWQLUIPS-UHFFFAOYSA-N 1 1 405.369 4.954 40 0 HJABMO C[NH+]1CCN(C(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)CC1 ZINC000408571947 557469224 /nfs/dbraw/zinc/46/92/24/557469224.db2.gz DMHNTKKXDWFZAS-UHFFFAOYSA-N 1 1 413.345 4.634 40 0 HJABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000006468064 557703974 /nfs/dbraw/zinc/70/39/74/557703974.db2.gz LWBSXRSUPXCDBI-INIZCTEOSA-N 1 1 401.348 4.539 40 0 HJABMO COc1cc(C)ccc1C[N@H+]1CCC[C@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 ZINC000019742434 558262782 /nfs/dbraw/zinc/26/27/82/558262782.db2.gz IATGRNUNWXIHRF-QFIPXVFZSA-N 1 1 413.525 4.778 40 0 HJABMO COc1cccc(CNC(=O)c2cnc([C@H]3CCCC[N@H+]3C3CCCCC3)nc2C)c1 ZINC000019754010 558273333 /nfs/dbraw/zinc/27/33/33/558273333.db2.gz IMLZWJFFYOEKKQ-HSZRJFAPSA-N 1 1 422.573 4.583 40 0 HJABMO O=C(Nc1nccs1)c1cc([C@H]2C[N@H+](C3CCCCC3)CCO2)nc2ccccc21 ZINC000019754435 558273698 /nfs/dbraw/zinc/27/36/98/558273698.db2.gz ZCPZNILGWOHXBI-OAQYLSRUSA-N 1 1 422.554 4.650 40 0 HJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022525199 558495627 /nfs/dbraw/zinc/49/56/27/558495627.db2.gz VCRCJCJAVPMKOY-DEOSSOPVSA-N 1 1 405.586 4.634 40 0 HJABMO O=C(c1ccccc1SCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022913518 558520512 /nfs/dbraw/zinc/52/05/12/558520512.db2.gz JSDLHYNLPGTUMX-UHFFFAOYSA-N 1 1 402.563 4.937 40 0 HJABMO Cn1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc2sccc21 ZINC000026521314 558662096 /nfs/dbraw/zinc/66/20/96/558662096.db2.gz YLOUXVCYPUUBIP-UHFFFAOYSA-N 1 1 415.562 4.787 40 0 HJABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000019081620 558839749 /nfs/dbraw/zinc/83/97/49/558839749.db2.gz FRXXGBMAZICIOK-NJDAHSKKSA-N 1 1 400.563 4.750 40 0 HJABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)on1 ZINC000019120791 558843014 /nfs/dbraw/zinc/84/30/14/558843014.db2.gz AHGFYMMTQYXKFE-CQSZACIVSA-N 1 1 408.449 4.900 40 0 HJABMO Cc1cnccc1C[N@@H+]1CCC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019239518 558858087 /nfs/dbraw/zinc/85/80/87/558858087.db2.gz PNHAIGLWJIJXJO-KRWDZBQOSA-N 1 1 417.479 4.955 40 0 HJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019370350 558878385 /nfs/dbraw/zinc/87/83/85/558878385.db2.gz HVAAQCQXBXDJRA-PPJWLVRDSA-N 1 1 403.570 4.550 40 0 HJABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 ZINC000019533251 558913016 /nfs/dbraw/zinc/91/30/16/558913016.db2.gz ZMFCCOTVTNRFLK-OAQYLSRUSA-N 1 1 421.545 4.550 40 0 HJABMO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@@H]32)cc1 ZINC000019557788 558919831 /nfs/dbraw/zinc/91/98/31/558919831.db2.gz OCMZQLZTVRFGDY-WXFUMESZSA-N 1 1 424.610 4.763 40 0 HJABMO COc1cccc([C@@H]2CN(C(=O)C3CCCC3)[C@H]3CC[N@@H+](Cc4ccsc4)C[C@@H]23)c1 ZINC000019566163 558925946 /nfs/dbraw/zinc/92/59/46/558925946.db2.gz JXRXTVZJCMWCGM-HJOGWXRNSA-N 1 1 424.610 4.763 40 0 HJABMO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)n1 ZINC000072334722 558935883 /nfs/dbraw/zinc/93/58/83/558935883.db2.gz QNMYECPYXQZAPB-QGZVFWFLSA-N 1 1 422.916 4.609 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000072341430 558939728 /nfs/dbraw/zinc/93/97/28/558939728.db2.gz UXJCZIUQOCKKTN-PXNSSMCTSA-N 1 1 419.541 4.681 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000072341430 558939729 /nfs/dbraw/zinc/93/97/29/558939729.db2.gz UXJCZIUQOCKKTN-PXNSSMCTSA-N 1 1 419.541 4.681 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000072341437 558939732 /nfs/dbraw/zinc/93/97/32/558939732.db2.gz JUNUIEZXUONSIU-FPOVZHCZSA-N 1 1 409.530 4.666 40 0 HJABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352548 558948978 /nfs/dbraw/zinc/94/89/78/558948978.db2.gz UGMSADZRCSMSJC-GOSISDBHSA-N 1 1 416.550 4.536 40 0 HJABMO CC(=O)NCc1cnc([C@@H]2CCC[N@H+]2CCCc2ccccc2)cc1C(F)(F)F ZINC000072356137 558952884 /nfs/dbraw/zinc/95/28/84/558952884.db2.gz BNDXCMNTFQPYKJ-NRFANRHFSA-N 1 1 405.464 4.506 40 0 HJABMO CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ccnn1C ZINC000072370756 558957225 /nfs/dbraw/zinc/95/72/25/558957225.db2.gz PNUDHIHDLYTAGP-GOSISDBHSA-N 1 1 424.614 4.760 40 0 HJABMO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000019690450 558959999 /nfs/dbraw/zinc/95/99/99/558959999.db2.gz JTPSVZMECZYTQM-QFIPXVFZSA-N 1 1 406.505 4.694 40 0 HJABMO CCc1nnc(Nc2cccc([C@H]3CCC[N@@H+](Cc4cccc(OC)c4)C3)n2)s1 ZINC000072375968 558965047 /nfs/dbraw/zinc/96/50/47/558965047.db2.gz ZVJCXTZJPVXVES-KRWDZBQOSA-N 1 1 409.559 4.627 40 0 HJABMO Cn1cc(C[N@@H+]2CCC[C@H]2c2cncc(Nc3ccccn3)n2)c2cc(F)ccc21 ZINC000072376416 558965541 /nfs/dbraw/zinc/96/55/41/558965541.db2.gz JXBGHCQLIXEVGU-NRFANRHFSA-N 1 1 402.477 4.583 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H]2c2cncc(Nc3ccccn3)n2)c2cc(F)ccc21 ZINC000072376416 558965545 /nfs/dbraw/zinc/96/55/45/558965545.db2.gz JXBGHCQLIXEVGU-NRFANRHFSA-N 1 1 402.477 4.583 40 0 HJABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c(C)n1 ZINC000072376627 558965848 /nfs/dbraw/zinc/96/58/48/558965848.db2.gz XWRKMKKEZIMVRC-OAQYLSRUSA-N 1 1 424.980 4.725 40 0 HJABMO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(Cl)c1 ZINC000072377244 558966549 /nfs/dbraw/zinc/96/65/49/558966549.db2.gz CVMMNLCYTPKAPS-IBGZPJMESA-N 1 1 408.937 4.543 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccncc3)[nH]n2)cc1 ZINC000019703707 558967669 /nfs/dbraw/zinc/96/76/69/558967669.db2.gz KZTJVNYPGJMZAH-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccncc3)[nH]n2)cc1 ZINC000019703707 558967671 /nfs/dbraw/zinc/96/76/71/558967671.db2.gz KZTJVNYPGJMZAH-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccncc3)[nH]n2)c1 ZINC000019703676 558967785 /nfs/dbraw/zinc/96/77/85/558967785.db2.gz JOTWNPOFKVETLN-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccncc3)[nH]n2)c1 ZINC000019703676 558967788 /nfs/dbraw/zinc/96/77/88/558967788.db2.gz JOTWNPOFKVETLN-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(Cn4cc[nH+]c4C)c3)c2)n1 ZINC000019718337 558981566 /nfs/dbraw/zinc/98/15/66/558981566.db2.gz AYRXRMQSGCVCDY-UHFFFAOYSA-N 1 1 419.916 4.948 40 0 HJABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4ccc(C(C)C)cc4)C[C@@H]32)no1 ZINC000585109703 559029474 /nfs/dbraw/zinc/02/94/74/559029474.db2.gz JFCKETDWERGZNQ-SONWIMMPSA-N 1 1 415.537 4.807 40 0 HJABMO COc1ccc(-c2cccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257223405 559283658 /nfs/dbraw/zinc/28/36/58/559283658.db2.gz DXFKPBUKQNVWJU-AREMUKBSSA-N 1 1 411.505 4.879 40 0 HJABMO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000409414570 560723320 /nfs/dbraw/zinc/72/33/20/560723320.db2.gz MUMOMJJBRFKSKD-YHFSLCLQSA-N 1 1 409.961 4.857 40 0 HJABMO COc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3ccncc3)c(OC)nc2c1 ZINC000013990165 560831432 /nfs/dbraw/zinc/83/14/32/560831432.db2.gz ZEEMZFJBOPRIHI-UHFFFAOYSA-N 1 1 413.521 4.892 40 0 HJABMO COc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3ccncc3)c(OC)nc2c1 ZINC000013990165 560831434 /nfs/dbraw/zinc/83/14/34/560831434.db2.gz ZEEMZFJBOPRIHI-UHFFFAOYSA-N 1 1 413.521 4.892 40 0 HJABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000014292024 560841192 /nfs/dbraw/zinc/84/11/92/560841192.db2.gz JNVDKAUDFNFDQD-UHFFFAOYSA-N 1 1 400.522 4.551 40 0 HJABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc2Cl)CC1 ZINC000017090458 560865308 /nfs/dbraw/zinc/86/53/08/560865308.db2.gz VWZHHMWJIXCMSC-UHFFFAOYSA-N 1 1 415.965 4.769 40 0 HJABMO Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)n2)cc1 ZINC000219241456 568488257 /nfs/dbraw/zinc/48/82/57/568488257.db2.gz ONUZZISHNZVTER-LJQANCHMSA-N 1 1 418.541 4.549 40 0 HJABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000219239428 568488345 /nfs/dbraw/zinc/48/83/45/568488345.db2.gz IEYUBCLSROTVNP-GCJKJVERSA-N 1 1 410.558 4.817 40 0 HJABMO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000219422082 568491677 /nfs/dbraw/zinc/49/16/77/568491677.db2.gz ZLXAOWJNUPPKMS-UHFFFAOYSA-N 1 1 421.766 4.631 40 0 HJABMO COc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCC[C@H](C)C4)ncc23)cc1C ZINC000057761857 568496936 /nfs/dbraw/zinc/49/69/36/568496936.db2.gz YVELKOSVTCBXGK-ITSWEJNFSA-N 1 1 406.574 4.600 40 0 HJABMO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+]([C@@H](C)Cc4ccc(F)cc4)C3)cc2n1 ZINC000057774664 568497409 /nfs/dbraw/zinc/49/74/09/568497409.db2.gz CZBRAZBQHFURHJ-HOCLYGCPSA-N 1 1 420.454 4.870 40 0 HJABMO CC(C)c1ccccc1OCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223826336 568560072 /nfs/dbraw/zinc/56/00/72/568560072.db2.gz CUSSSVWTAGNGAN-FQEVSTJZSA-N 1 1 414.977 4.871 40 0 HJABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224515335 568583247 /nfs/dbraw/zinc/58/32/47/568583247.db2.gz PWTVSHBHZFERKW-UHFFFAOYSA-N 1 1 424.585 4.740 40 0 HJABMO O=C(NCCOCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224545093 568584405 /nfs/dbraw/zinc/58/44/05/568584405.db2.gz VUFKGVFLPWHCBL-UHFFFAOYSA-N 1 1 421.368 4.538 40 0 HJABMO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225586520 568654825 /nfs/dbraw/zinc/65/48/25/568654825.db2.gz SKCNIPHJPRTUOA-KRWDZBQOSA-N 1 1 418.940 4.583 40 0 HJABMO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000225670397 568662478 /nfs/dbraw/zinc/66/24/78/568662478.db2.gz MLHLWPUIJVPTBQ-IBGZPJMESA-N 1 1 400.522 4.745 40 0 HJABMO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816840 568740197 /nfs/dbraw/zinc/74/01/97/568740197.db2.gz QZYRBDFGIZBLAJ-RDPSFJRHSA-N 1 1 404.595 4.967 40 0 HJABMO Cc1cccc(Nc2cccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)n1 ZINC000257213714 568780257 /nfs/dbraw/zinc/78/02/57/568780257.db2.gz CIUGKCRTEGARAM-QHCPKHFHSA-N 1 1 411.509 4.650 40 0 HJABMO Cc1cccc(Nc2cccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)n1 ZINC000257213714 568780258 /nfs/dbraw/zinc/78/02/58/568780258.db2.gz CIUGKCRTEGARAM-QHCPKHFHSA-N 1 1 411.509 4.650 40 0 HJABMO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000257216745 568781015 /nfs/dbraw/zinc/78/10/15/568781015.db2.gz CVWVFQBLLQIQDR-GOSISDBHSA-N 1 1 422.598 4.942 40 0 HJABMO O=C(/C=C/c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000257302616 568805007 /nfs/dbraw/zinc/80/50/07/568805007.db2.gz SDOKZHSLGWDMED-CNPKUOIJSA-N 1 1 400.566 4.993 40 0 HJABMO O=C(C[NH+]1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)Nc1ccc(F)cc1 ZINC000257322934 568811128 /nfs/dbraw/zinc/81/11/28/568811128.db2.gz WIBWFZSEHRRKKY-UHFFFAOYSA-N 1 1 421.491 4.769 40 0 HJABMO O=C(c1ccsc1)N1C[C@@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)c2ncccc21 ZINC000306136826 568898626 /nfs/dbraw/zinc/89/86/26/568898626.db2.gz QEMAVTSWHAIFMT-QFIPXVFZSA-N 1 1 409.942 4.601 40 0 HJABMO Cc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000328969520 568970510 /nfs/dbraw/zinc/97/05/10/568970510.db2.gz DEXSCVCIOVFGQE-UHFFFAOYSA-N 1 1 400.404 4.990 40 0 HJABMO Cc1ccccc1C[N@@H+]1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000057775221 569053703 /nfs/dbraw/zinc/05/37/03/569053703.db2.gz WJPKVEDRSGHVDO-SANMLTNESA-N 1 1 417.553 4.563 40 0 HJABMO COc1cccc(-c2ccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)nc2)c1 ZINC000019693659 569346494 /nfs/dbraw/zinc/34/64/94/569346494.db2.gz HXOGNUALQJIWSJ-AREMUKBSSA-N 1 1 411.505 4.879 40 0 HJABMO COc1cccc(-c2ccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)nc2)c1 ZINC000019693659 569346495 /nfs/dbraw/zinc/34/64/95/569346495.db2.gz HXOGNUALQJIWSJ-AREMUKBSSA-N 1 1 411.505 4.879 40 0 HJABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000019702126 569347448 /nfs/dbraw/zinc/34/74/48/569347448.db2.gz DQNZFHOJBKTQII-QGZVFWFLSA-N 1 1 416.550 4.536 40 0 HJABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705243 569347907 /nfs/dbraw/zinc/34/79/07/569347907.db2.gz RJMVGMWVBYADFM-QFIPXVFZSA-N 1 1 422.541 4.925 40 0 HJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1 ZINC000020241841 569349608 /nfs/dbraw/zinc/34/96/08/569349608.db2.gz UJJMSYQHBLTUGT-UHFFFAOYSA-N 1 1 415.537 4.578 40 0 HJABMO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@H](O)CC[C@]54C)[C@@H]3C[N@H+]2C1 ZINC000070673062 569413161 /nfs/dbraw/zinc/41/31/61/569413161.db2.gz NEMWYOKGHGSVSC-XORHUKHMSA-N 1 1 415.662 4.563 40 0 biogenic HJABMO O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000020503551 575370223 /nfs/dbraw/zinc/37/02/23/575370223.db2.gz UNJPHXSXSWRKKF-NZQKXSOJSA-N 1 1 407.517 4.683 40 0 biogenic,in-vitro HJABMO C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](C[C@H]4[C@H]3C[C@@H](O)[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]2C[N@H+]2C[C@@H](C)CC[C@@H]12 ZINC000100038283 291278795 /nfs/dbraw/zinc/27/87/95/291278795.db2.gz NEMWYOKGHGSVSC-MSSYMPDSSA-N 1 1 415.662 4.563 40 0 biogenic,in-vitro HJABMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)o1 ZINC000049170592 291280025 /nfs/dbraw/zinc/28/00/25/291280025.db2.gz JRYQSXKTGFTVAM-AWEZNQCLSA-N 1 1 407.367 4.764 40 0 biogenic,in-vitro HJABMO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044912632 520982786 /nfs/dbraw/zinc/98/27/86/520982786.db2.gz NCSQYPWFFCYCRF-UHFFFAOYSA-N 1 1 421.368 4.921 40 0 HJABMO CCOc1ccccc1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044909858 521471561 /nfs/dbraw/zinc/47/15/61/521471561.db2.gz TZQNKLKRYVAMRI-OAQYLSRUSA-N 1 1 414.977 4.700 40 0 HJABMO COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044937205 525348053 /nfs/dbraw/zinc/34/80/53/525348053.db2.gz XSQROISHEKNCPW-QPPBQGQZSA-N 1 1 412.549 4.950 40 0 HJABMO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044909275 526276487 /nfs/dbraw/zinc/27/64/87/526276487.db2.gz IKTQILXJJZRHHB-UHFFFAOYSA-N 1 1 405.369 4.954 40 0 HJABMO CCCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)c1 ZINC000002595273 535327334 /nfs/dbraw/zinc/32/73/34/535327334.db2.gz IMLFGXXOMAMMFX-UHFFFAOYSA-N 1 1 415.965 4.913 40 0 HJABMO CC[NH+]1CCN(C(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408571210 557468584 /nfs/dbraw/zinc/46/85/84/557468584.db2.gz AEIMJKPJRVTACS-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO CCC1=C(C[C@H]2[NH2+]CCc3ccccc32)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C1 ZINC000004972680 557618657 /nfs/dbraw/zinc/61/86/57/557618657.db2.gz HDIJLRXRAJUXQB-JWQCQUIFSA-N 1 1 418.581 4.990 40 0 in-vivo HJABMO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]Cc1ccccn1 ZINC000008435785 557788940 /nfs/dbraw/zinc/78/89/40/557788940.db2.gz QTLJHTUUQFRRTL-UHFFFAOYSA-N 1 1 401.279 4.852 40 0 HJABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753208 558272438 /nfs/dbraw/zinc/27/24/38/558272438.db2.gz WKAIHQIWLPZFJI-GOSISDBHSA-N 1 1 406.917 4.680 40 0 HJABMO CC[NH+](CC)C[C@H]1CCCN(Cc2c3cccnc3[nH]c2-c2ccc(OC)cc2)C1 ZINC000012144241 558335906 /nfs/dbraw/zinc/33/59/06/558335906.db2.gz WPOZAEWIYCXDIT-LJQANCHMSA-N 1 1 406.574 4.792 40 0 HJABMO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@H+](Cc1cccc(C)c1OC)CC2 ZINC000012240831 558360502 /nfs/dbraw/zinc/36/05/02/558360502.db2.gz LDFBPGOZGXZKQX-XMMPIXPASA-N 1 1 404.510 4.564 40 0 HJABMO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@@H+](Cc1cccc(C)c1OC)CC2 ZINC000012240831 558360504 /nfs/dbraw/zinc/36/05/04/558360504.db2.gz LDFBPGOZGXZKQX-XMMPIXPASA-N 1 1 404.510 4.564 40 0 HJABMO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039749008 558687099 /nfs/dbraw/zinc/68/70/99/558687099.db2.gz TXAJNSJSYLFLPL-UHFFFAOYSA-N 1 1 406.954 4.600 40 0 HJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000030941805 558745720 /nfs/dbraw/zinc/74/57/20/558745720.db2.gz XJCKPTQWOMVKCO-UHFFFAOYSA-N 1 1 416.525 4.508 40 0 HJABMO COc1nc2cc(C)ccc2cc1C[N@H+](CCCn1ccnc1)Cc1ccc(C)o1 ZINC000036740277 558801598 /nfs/dbraw/zinc/80/15/98/558801598.db2.gz FFBKOOWJEDKXEV-UHFFFAOYSA-N 1 1 404.514 4.742 40 0 HJABMO COc1nc2cc(C)ccc2cc1C[N@@H+](CCCn1ccnc1)Cc1ccc(C)o1 ZINC000036740277 558801599 /nfs/dbraw/zinc/80/15/99/558801599.db2.gz FFBKOOWJEDKXEV-UHFFFAOYSA-N 1 1 404.514 4.742 40 0 HJABMO CCc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038833666 558817294 /nfs/dbraw/zinc/81/72/94/558817294.db2.gz HTYMIFBMGUIKQF-UHFFFAOYSA-N 1 1 401.348 4.862 40 0 HJABMO O=C(NCCSCc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038837426 558818153 /nfs/dbraw/zinc/81/81/53/558818153.db2.gz RLKUDEIDOWBVKO-GOSISDBHSA-N 1 1 420.981 4.741 40 0 HJABMO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038849460 558818505 /nfs/dbraw/zinc/81/85/05/558818505.db2.gz YFCKDAXPWZBYAR-UHFFFAOYSA-N 1 1 417.347 4.617 40 0 HJABMO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019133483 558845827 /nfs/dbraw/zinc/84/58/27/558845827.db2.gz RUKBHXIDJAUGSL-DKSSEZFCSA-N 1 1 408.468 4.845 40 0 HJABMO COc1ccc(C)cc1C[N@H+]1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019133483 558845829 /nfs/dbraw/zinc/84/58/29/558845829.db2.gz RUKBHXIDJAUGSL-DKSSEZFCSA-N 1 1 408.468 4.845 40 0 HJABMO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000019452093 558889970 /nfs/dbraw/zinc/88/99/70/558889970.db2.gz NZECHMPIQYPGTM-OAHLLOKOSA-N 1 1 409.452 4.891 40 0 HJABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)no2)CC1 ZINC000019496738 558895670 /nfs/dbraw/zinc/89/56/70/558895670.db2.gz AGNLYCBCNYXFKH-GOSISDBHSA-N 1 1 401.938 4.580 40 0 HJABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+](Cc4ccncc4C)C3)cc2N1 ZINC000019500878 558898847 /nfs/dbraw/zinc/89/88/47/558898847.db2.gz RWCYJNURQPBREZ-ZHALLVOQSA-N 1 1 407.484 4.664 40 0 HJABMO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)c(OC)c1 ZINC000019552508 558915990 /nfs/dbraw/zinc/91/59/90/558915990.db2.gz AEKOGIUFGYHPBF-RBUKOAKNSA-N 1 1 413.468 4.748 40 0 HJABMO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2ccccc2Cl)c1C ZINC000019558588 558920400 /nfs/dbraw/zinc/92/04/00/558920400.db2.gz BIDZRIWSCFEHPF-IBGZPJMESA-N 1 1 411.937 4.805 40 0 HJABMO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2ccccc2Cl)c1C ZINC000019558588 558920403 /nfs/dbraw/zinc/92/04/03/558920403.db2.gz BIDZRIWSCFEHPF-IBGZPJMESA-N 1 1 411.937 4.805 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000072330410 558934460 /nfs/dbraw/zinc/93/44/60/558934460.db2.gz KRJQTASYDODNQU-CVDCTZTESA-N 1 1 421.566 4.535 40 0 HJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072330461 558934895 /nfs/dbraw/zinc/93/48/95/558934895.db2.gz RUFPBGWSYMMBBG-NVQXNPDNSA-N 1 1 417.528 4.533 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000072341438 558939704 /nfs/dbraw/zinc/93/97/04/558939704.db2.gz RRXVUHBFJQNFRY-CTNGQTDRSA-N 1 1 409.530 4.666 40 0 HJABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1CO ZINC000072353204 558949888 /nfs/dbraw/zinc/94/98/88/558949888.db2.gz SBXGEVZEQWFCDI-HSZRJFAPSA-N 1 1 418.541 4.757 40 0 HJABMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359822 558955355 /nfs/dbraw/zinc/95/53/55/558955355.db2.gz YQXZTADTPFTNIY-KRWDZBQOSA-N 1 1 415.463 4.758 40 0 HJABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359822 558955356 /nfs/dbraw/zinc/95/53/56/558955356.db2.gz YQXZTADTPFTNIY-KRWDZBQOSA-N 1 1 415.463 4.758 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c1C ZINC000019687436 558957285 /nfs/dbraw/zinc/95/72/85/558957285.db2.gz JTNCHDMFSWPXBR-NRFANRHFSA-N 1 1 424.980 4.725 40 0 HJABMO COc1ccccc1OCCc1cc([C@H]2CC[N@@H+](C/C(C)=C/c3ccccc3)C2)[nH]n1 ZINC000072371557 558958340 /nfs/dbraw/zinc/95/83/40/558958340.db2.gz CTKUNJVSUCVAOV-PTMWEUFISA-N 1 1 417.553 4.933 40 0 HJABMO COc1ccccc1OCCc1cc([C@H]2CC[N@H+](C/C(C)=C/c3ccccc3)C2)n[nH]1 ZINC000072371557 558958342 /nfs/dbraw/zinc/95/83/42/558958342.db2.gz CTKUNJVSUCVAOV-PTMWEUFISA-N 1 1 417.553 4.933 40 0 HJABMO COc1ccccc1OCCc1cc([C@H]2CC[N@@H+](C/C(C)=C/c3ccccc3)C2)n[nH]1 ZINC000072371557 558958345 /nfs/dbraw/zinc/95/83/45/558958345.db2.gz CTKUNJVSUCVAOV-PTMWEUFISA-N 1 1 417.553 4.933 40 0 HJABMO Fc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ccnc5ccccc45)C3)[nH]n2)cc1 ZINC000072371551 558958417 /nfs/dbraw/zinc/95/84/17/558958417.db2.gz IOZBWZLCSISFHB-IBGZPJMESA-N 1 1 416.500 4.708 40 0 HJABMO Fc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccnc5ccccc45)C3)n[nH]2)cc1 ZINC000072371551 558958418 /nfs/dbraw/zinc/95/84/18/558958418.db2.gz IOZBWZLCSISFHB-IBGZPJMESA-N 1 1 416.500 4.708 40 0 HJABMO Fc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ccnc5ccccc45)C3)n[nH]2)cc1 ZINC000072371551 558958419 /nfs/dbraw/zinc/95/84/19/558958419.db2.gz IOZBWZLCSISFHB-IBGZPJMESA-N 1 1 416.500 4.708 40 0 HJABMO Cn1nccc1C[N@H+]1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019690291 558959651 /nfs/dbraw/zinc/95/96/51/558959651.db2.gz VXRFISBFLUQLCQ-IBGZPJMESA-N 1 1 414.475 4.804 40 0 HJABMO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ncccc2C)n1 ZINC000072375504 558964266 /nfs/dbraw/zinc/96/42/66/558964266.db2.gz RJBTVLTXBSWKSL-HXUWFJFHSA-N 1 1 404.514 4.883 40 0 HJABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H]1c1cccc(Nc2ncccc2C)n1 ZINC000072375504 558964267 /nfs/dbraw/zinc/96/42/67/558964267.db2.gz RJBTVLTXBSWKSL-HXUWFJFHSA-N 1 1 404.514 4.883 40 0 HJABMO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+]4C4CCCC4)nc32)cc1 ZINC000019695871 558964320 /nfs/dbraw/zinc/96/43/20/558964320.db2.gz YDGZLFMAPJXDAY-QFIPXVFZSA-N 1 1 404.558 4.652 40 0 HJABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695978 558964384 /nfs/dbraw/zinc/96/43/84/558964384.db2.gz DVBCTQCXUJULHE-QHCPKHFHSA-N 1 1 418.585 4.777 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)c2cc(F)ccc21 ZINC000072375751 558964595 /nfs/dbraw/zinc/96/45/95/558964595.db2.gz IYRWMIWPMHDKCN-OAQYLSRUSA-N 1 1 402.477 4.583 40 0 HJABMO CC(C)n1cc(C[N@H+]2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)c2ccccc21 ZINC000019705638 558967947 /nfs/dbraw/zinc/96/79/47/558967947.db2.gz RVWBLVGQXNNYPD-FQEVSTJZSA-N 1 1 404.558 4.699 40 0 HJABMO Cc1nccn1C[C@H]1CCC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715786 558976942 /nfs/dbraw/zinc/97/69/42/558976942.db2.gz BGOCFRHOGMYJJV-KRWDZBQOSA-N 1 1 409.534 4.619 40 0 HJABMO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100698 559024302 /nfs/dbraw/zinc/02/43/02/559024302.db2.gz UAELQSIFZORRLI-DEOSSOPVSA-N 1 1 416.487 4.694 40 0 HJABMO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000585270092 559116319 /nfs/dbraw/zinc/11/63/19/559116319.db2.gz DXBQVEBDQVGMKV-NRFANRHFSA-N 1 1 420.340 4.666 40 0 HJABMO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000585270092 559116320 /nfs/dbraw/zinc/11/63/20/559116320.db2.gz DXBQVEBDQVGMKV-NRFANRHFSA-N 1 1 420.340 4.666 40 0 HJABMO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000585270092 559116321 /nfs/dbraw/zinc/11/63/21/559116321.db2.gz DXBQVEBDQVGMKV-NRFANRHFSA-N 1 1 420.340 4.666 40 0 HJABMO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@H+]([C@H]3CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 ZINC000585287563 559123120 /nfs/dbraw/zinc/12/31/20/559123120.db2.gz OKOOJNQWAPNQRQ-DROSFRCNSA-N 1 1 423.597 4.515 40 0 HJABMO CCC[N@H+]1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 ZINC000019705439 560849595 /nfs/dbraw/zinc/84/95/95/560849595.db2.gz LBRJEIZTYULPJM-OAQYLSRUSA-N 1 1 408.995 4.810 40 0 HJABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000005218913 568442808 /nfs/dbraw/zinc/44/28/08/568442808.db2.gz ARYCMISIZKOYJP-MZYLBHOOSA-N 1 1 416.924 4.786 40 0 HJABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000005218913 568442809 /nfs/dbraw/zinc/44/28/09/568442809.db2.gz ARYCMISIZKOYJP-MZYLBHOOSA-N 1 1 416.924 4.786 40 0 HJABMO CCOc1ccc(C(=O)CN(c2ccc3c(c2)OCCO3)C2=[NH+]CCCCC2)cc1 ZINC000006870319 568462916 /nfs/dbraw/zinc/46/29/16/568462916.db2.gz JMSIJTSRHSUQJP-UHFFFAOYSA-N 1 1 408.498 4.518 40 0 HJABMO Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)n2)c1 ZINC000219241352 568488391 /nfs/dbraw/zinc/48/83/91/568488391.db2.gz IKOABMAOSVZAPD-IBGZPJMESA-N 1 1 418.541 4.549 40 0 HJABMO Fc1cccc(Nc2nc(-c3ccncc3)nc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC000057774616 568497445 /nfs/dbraw/zinc/49/74/45/568497445.db2.gz SIRKNLZVASKYGB-UHFFFAOYSA-N 1 1 411.484 4.980 40 0 HJABMO Fc1cccc(Nc2nc(-c3ccncc3)nc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000057774616 568497447 /nfs/dbraw/zinc/49/74/47/568497447.db2.gz SIRKNLZVASKYGB-UHFFFAOYSA-N 1 1 411.484 4.980 40 0 HJABMO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000224028357 568566986 /nfs/dbraw/zinc/56/69/86/568566986.db2.gz JKWVJXAGVBCSFB-UHFFFAOYSA-N 1 1 418.940 4.503 40 0 HJABMO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000224181082 568572810 /nfs/dbraw/zinc/57/28/10/568572810.db2.gz GNMKGWOGKPEPTB-SFHVURJKSA-N 1 1 421.368 4.709 40 0 HJABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCCC1 ZINC000225657114 568660774 /nfs/dbraw/zinc/66/07/74/568660774.db2.gz KSEANVLOFORWCB-HXUWFJFHSA-N 1 1 402.579 4.865 40 0 HJABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1cc(-c2ccc(F)cc2)on1 ZINC000225900728 568684425 /nfs/dbraw/zinc/68/44/25/568684425.db2.gz YKQYWHFVPCGBNG-UHFFFAOYSA-N 1 1 410.836 4.524 40 0 HJABMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H]1O ZINC000257211100 568779448 /nfs/dbraw/zinc/77/94/48/568779448.db2.gz BXMQXSOIRFRAAB-QKDODKLFSA-N 1 1 400.566 4.713 40 0 HJABMO CN(Cc1ccccc1)[C@H]1CC[C@H]([NH+](Cc2ccccc2)Cc2ccccc2)[C@H]1O ZINC000257211100 568779449 /nfs/dbraw/zinc/77/94/49/568779449.db2.gz BXMQXSOIRFRAAB-QKDODKLFSA-N 1 1 400.566 4.713 40 0 HJABMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C ZINC000257232710 568785611 /nfs/dbraw/zinc/78/56/11/568785611.db2.gz GMAYUVIQNVJRJU-AVRDEDQJSA-N 1 1 401.551 4.737 40 0 HJABMO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)nc1C ZINC000257236625 568786750 /nfs/dbraw/zinc/78/67/50/568786750.db2.gz HCZWPYRIUGRWDZ-QHCPKHFHSA-N 1 1 422.617 4.617 40 0 HJABMO CSc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257236749 568786780 /nfs/dbraw/zinc/78/67/80/568786780.db2.gz HDPDVTJHWGSFQU-GOSISDBHSA-N 1 1 413.587 4.839 40 0 HJABMO O=C(C[N@H+]1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccc(F)cc1 ZINC000257265268 568794262 /nfs/dbraw/zinc/79/42/62/568794262.db2.gz LXYFUKPQBJCZCA-FQEVSTJZSA-N 1 1 421.491 4.769 40 0 HJABMO O=C(C[N@@H+]1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)Nc1ccc(F)cc1 ZINC000257265268 568794263 /nfs/dbraw/zinc/79/42/63/568794263.db2.gz LXYFUKPQBJCZCA-FQEVSTJZSA-N 1 1 421.491 4.769 40 0 HJABMO Cc1nc(-c2ccccc2F)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@H+]2C ZINC000257281950 568799161 /nfs/dbraw/zinc/79/91/61/568799161.db2.gz ORQRDSQNOKPADE-RTNRFSENSA-N 1 1 413.562 4.735 40 0 HJABMO Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)s1 ZINC000257287504 568800825 /nfs/dbraw/zinc/80/08/25/568800825.db2.gz PQGMMKCLJOAQEH-YLYPHGCXSA-N 1 1 423.626 4.849 40 0 HJABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C(C)C)ccc3O)cc2Cl)CC1 ZINC000257332159 568813764 /nfs/dbraw/zinc/81/37/64/568813764.db2.gz XVZSHCPVSHNXSM-UHFFFAOYSA-N 1 1 401.938 4.563 40 0 HJABMO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000026780405 568831303 /nfs/dbraw/zinc/83/13/03/568831303.db2.gz RXSZNNUEYOEETB-QHCPKHFHSA-N 1 1 413.602 4.635 40 0 HJABMO CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329006788 568972391 /nfs/dbraw/zinc/97/23/91/568972391.db2.gz LFCMHQREWXRNCF-ZDUSSCGKSA-N 1 1 401.352 4.890 40 0 HJABMO CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329006788 568972392 /nfs/dbraw/zinc/97/23/92/568972392.db2.gz LFCMHQREWXRNCF-ZDUSSCGKSA-N 1 1 401.352 4.890 40 0 HJABMO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@@H+](C)C[C@H](C)c2ccccc2)C1 ZINC000248126886 569316423 /nfs/dbraw/zinc/31/64/23/569316423.db2.gz PAQLLIFNTBUBHQ-FPOVZHCZSA-N 1 1 418.585 4.914 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000012183399 569344693 /nfs/dbraw/zinc/34/46/93/569344693.db2.gz MHLJWTHDLJMNJQ-RBBKRZOGSA-N 1 1 421.566 4.535 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CCCC1 ZINC000012408176 569344784 /nfs/dbraw/zinc/34/47/84/569344784.db2.gz BJZPMXNUCFTXNP-UYAOXDASSA-N 1 1 401.551 4.542 40 0 HJABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2Cl)CC1 ZINC000006241870 132309806 /nfs/dbraw/zinc/30/98/06/132309806.db2.gz FYXNNXQPXROWTA-UHFFFAOYSA-N 1 1 415.965 4.623 40 0 HJABMO CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044932165 519779527 /nfs/dbraw/zinc/77/95/27/519779527.db2.gz NJPUMDCCHBCZBP-HXUWFJFHSA-N 1 1 400.950 4.656 40 0 HJABMO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000044912624 520981801 /nfs/dbraw/zinc/98/18/01/520981801.db2.gz JMHSHXLTIMGPCG-UHFFFAOYSA-N 1 1 421.368 4.921 40 0 HJABMO CCOc1ccccc1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044909862 521471903 /nfs/dbraw/zinc/47/19/03/521471903.db2.gz TZQNKLKRYVAMRI-NRFANRHFSA-N 1 1 414.977 4.700 40 0 HJABMO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044920053 521486242 /nfs/dbraw/zinc/48/62/42/521486242.db2.gz VDEUWFHNWHACIO-UHFFFAOYSA-N 1 1 421.368 4.921 40 0 HJABMO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](CCCn2ccnc2)Cc2ccccc2F)c1 ZINC000043277856 524210893 /nfs/dbraw/zinc/21/08/93/524210893.db2.gz BATDHCVGCCUCSN-UHFFFAOYSA-N 1 1 417.532 4.917 40 0 HJABMO COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044937208 525175552 /nfs/dbraw/zinc/17/55/52/525175552.db2.gz XSQROISHEKNCPW-ZJSXRUAMSA-N 1 1 412.549 4.950 40 0 HJABMO O=C(NCCCc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044906211 526279568 /nfs/dbraw/zinc/27/95/68/526279568.db2.gz OYXNKJDAHDWVSZ-IBGZPJMESA-N 1 1 405.369 4.954 40 0 HJABMO O=C(NCCSCc1ccccc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044909024 526373916 /nfs/dbraw/zinc/37/39/16/526373916.db2.gz CHOKABHCBDHLEY-GOSISDBHSA-N 1 1 420.981 4.741 40 0 HJABMO O=C(CN1CCCCC1)c1ccc(-c2ccc(C(=O)C[NH+]3CCCCC3)cc2)cc1 ZINC000001699484 557281484 /nfs/dbraw/zinc/28/14/84/557281484.db2.gz HEEMERDFOBAECZ-UHFFFAOYSA-N 1 1 404.554 4.691 40 0 HJABMO CCC1=C(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C[C@H]2c3ccccc3CC[N@H+]2C1 ZINC000003954406 557503762 /nfs/dbraw/zinc/50/37/62/557503762.db2.gz GAUYNTGXYGJOSH-RPBOFIJWSA-N 1 1 418.581 4.990 40 0 in-vitro HJABMO Cc1nc([C@@H]2CCC[N@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755511 558274022 /nfs/dbraw/zinc/27/40/22/558274022.db2.gz WFFLOHGXVQWMJY-QFIPXVFZSA-N 1 1 404.489 4.556 40 0 HJABMO CC(C)c1cc(C(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)no1 ZINC000012088139 558322816 /nfs/dbraw/zinc/32/28/16/558322816.db2.gz HROUOTWZSBMFPD-INIZCTEOSA-N 1 1 409.534 4.676 40 0 HJABMO Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2[nH+]c3ccccn3c2NC(C)(C)C)C1 ZINC000012088144 558322892 /nfs/dbraw/zinc/32/28/92/558322892.db2.gz YMQSYAKLYFFLLS-QGZVFWFLSA-N 1 1 423.561 4.984 40 0 HJABMO CC(C)c1ncc2c(n1)C1(CC[NH+](Cc3cccc(Cl)c3Cl)CC1)OCC2 ZINC000012407130 558398299 /nfs/dbraw/zinc/39/82/99/558398299.db2.gz VRBMJGKWUDYOON-UHFFFAOYSA-N 1 1 406.357 4.971 40 0 HJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022525194 558495589 /nfs/dbraw/zinc/49/55/89/558495589.db2.gz VCRCJCJAVPMKOY-XMMPIXPASA-N 1 1 405.586 4.634 40 0 HJABMO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039748495 558686880 /nfs/dbraw/zinc/68/68/80/558686880.db2.gz QFIVNFRBSSRLCU-HNNXBMFYSA-N 1 1 404.913 4.577 40 0 HJABMO COc1ccc([C@H]2Cc3cc(OC)c(OC)cc3[C@@H](c3ccccc3)[NH2+]2)cc1OC ZINC000031795248 558752483 /nfs/dbraw/zinc/75/24/83/558752483.db2.gz CKZCETURDAJQBM-CJFMBICVSA-N 1 1 405.494 4.697 40 0 HJABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cn(C)c2ccc(F)cc12 ZINC000036740345 558801561 /nfs/dbraw/zinc/80/15/61/558801561.db2.gz PMIZRVWBDCIXCV-UHFFFAOYSA-N 1 1 406.505 4.615 40 0 HJABMO CN(C)c1nc2ccccc2cc1C[N@H+](CCCn1ccnc1)Cc1ccccc1F ZINC000036740374 558801627 /nfs/dbraw/zinc/80/16/27/558801627.db2.gz KHUPFEZBUOZCNP-UHFFFAOYSA-N 1 1 417.532 4.729 40 0 HJABMO CN(C)c1nc2ccccc2cc1C[N@@H+](CCCn1ccnc1)Cc1ccccc1F ZINC000036740374 558801629 /nfs/dbraw/zinc/80/16/29/558801629.db2.gz KHUPFEZBUOZCNP-UHFFFAOYSA-N 1 1 417.532 4.729 40 0 HJABMO CC(=O)n1cc(C[N@@H+](CCCn2ccnc2)Cc2ccc(C)s2)c2ccccc21 ZINC000036740417 558801688 /nfs/dbraw/zinc/80/16/88/558801688.db2.gz BLZIFHBEPZKZHK-UHFFFAOYSA-N 1 1 406.555 4.960 40 0 HJABMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833989 558817372 /nfs/dbraw/zinc/81/73/72/558817372.db2.gz HAEUJBQDCAAIPQ-OAHLLOKOSA-N 1 1 407.739 4.953 40 0 HJABMO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038834541 558817615 /nfs/dbraw/zinc/81/76/15/558817615.db2.gz CKNNVJYYSVZZRG-UHFFFAOYSA-N 1 1 421.324 4.631 40 0 HJABMO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834527 558817619 /nfs/dbraw/zinc/81/76/19/558817619.db2.gz RWOUFMFADGDFHG-CQSZACIVSA-N 1 1 421.324 4.631 40 0 HJABMO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038834527 558817621 /nfs/dbraw/zinc/81/76/21/558817621.db2.gz RWOUFMFADGDFHG-CQSZACIVSA-N 1 1 421.324 4.631 40 0 HJABMO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038834768 558817855 /nfs/dbraw/zinc/81/78/55/558817855.db2.gz SHBAGILJAGAORU-AWEZNQCLSA-N 1 1 423.340 4.861 40 0 HJABMO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038834768 558817857 /nfs/dbraw/zinc/81/78/57/558817857.db2.gz SHBAGILJAGAORU-AWEZNQCLSA-N 1 1 423.340 4.861 40 0 HJABMO COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@@H]32)c1 ZINC000019081665 558839829 /nfs/dbraw/zinc/83/98/29/558839829.db2.gz IHGIQPCOSJWUCV-YPAWHYETSA-N 1 1 412.599 4.619 40 0 HJABMO O[C@@]1(c2ccccn2)CC[C@H]2C[N@@H+](Cc3ccccc3OCc3cccc(F)c3)C[C@H]21 ZINC000019349442 558875217 /nfs/dbraw/zinc/87/52/17/558875217.db2.gz ZQNNSGCMLTTXQQ-CLLDFNAGSA-N 1 1 418.512 4.529 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000019400520 558883084 /nfs/dbraw/zinc/88/30/84/558883084.db2.gz KWMBVWIQXVVXSN-DYESRHJHSA-N 1 1 418.368 4.868 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000019400520 558883085 /nfs/dbraw/zinc/88/30/85/558883085.db2.gz KWMBVWIQXVVXSN-DYESRHJHSA-N 1 1 418.368 4.868 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000019400598 558883142 /nfs/dbraw/zinc/88/31/42/558883142.db2.gz MIDQHRPLLIVPRJ-XMSQKQJNSA-N 1 1 409.530 4.666 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000019400466 558883157 /nfs/dbraw/zinc/88/31/57/558883157.db2.gz QOWLDWRIHCBQLS-LEEZEASISA-N 1 1 407.533 4.760 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000019400523 558883174 /nfs/dbraw/zinc/88/31/74/558883174.db2.gz KWMBVWIQXVVXSN-LAUBAEHRSA-N 1 1 418.368 4.868 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000019400523 558883177 /nfs/dbraw/zinc/88/31/77/558883177.db2.gz KWMBVWIQXVVXSN-LAUBAEHRSA-N 1 1 418.368 4.868 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449631 558888315 /nfs/dbraw/zinc/88/83/15/558888315.db2.gz WEUOTDIIIKOIMM-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019529146 558910827 /nfs/dbraw/zinc/91/08/27/558910827.db2.gz QICLAFUWDZIEMD-RUZDIDTESA-N 1 1 419.594 4.689 40 0 HJABMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000019551196 558915314 /nfs/dbraw/zinc/91/53/14/558915314.db2.gz UNYKOJHHYVKMAP-DYESRHJHSA-N 1 1 401.553 4.508 40 0 HJABMO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)c1OC ZINC000019568088 558927337 /nfs/dbraw/zinc/92/73/37/558927337.db2.gz CTGZXXDWIYVJST-ZWKOTPCHSA-N 1 1 413.468 4.748 40 0 HJABMO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072345979 558942759 /nfs/dbraw/zinc/94/27/59/558942759.db2.gz DBMJXASZWKXEMT-MRXNPFEDSA-N 1 1 413.447 4.519 40 0 HJABMO CC(C)n1c(C[N@H+]2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)nc2ccccc21 ZINC000019688268 558957714 /nfs/dbraw/zinc/95/77/14/558957714.db2.gz DIOOYBUCQGCERV-FQEVSTJZSA-N 1 1 414.557 4.792 40 0 HJABMO CC(C)n1c(C[N@H+]2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)nc2ccccc21 ZINC000019688266 558957749 /nfs/dbraw/zinc/95/77/49/558957749.db2.gz DIOOYBUCQGCERV-HXUWFJFHSA-N 1 1 414.557 4.792 40 0 HJABMO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000019690451 558960006 /nfs/dbraw/zinc/96/00/06/558960006.db2.gz JTPSVZMECZYTQM-JOCHJYFZSA-N 1 1 406.505 4.694 40 0 HJABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)c2cc3c(cccc3C)[nH]2)[nH+]1 ZINC000072372631 558960392 /nfs/dbraw/zinc/96/03/92/558960392.db2.gz GHCXGULNEKFNDG-QFIPXVFZSA-N 1 1 412.497 4.691 40 0 HJABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cn1 ZINC000019691926 558961408 /nfs/dbraw/zinc/96/14/08/558961408.db2.gz MPZJXKKQPFZYNY-VWLOTQADSA-N 1 1 416.569 4.605 40 0 HJABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)cn1 ZINC000019691926 558961410 /nfs/dbraw/zinc/96/14/10/558961410.db2.gz MPZJXKKQPFZYNY-VWLOTQADSA-N 1 1 416.569 4.605 40 0 HJABMO Cn1nccc1C[N@@H+]1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000072374146 558961516 /nfs/dbraw/zinc/96/15/16/558961516.db2.gz QEQSTAWDQDZKKG-NRFANRHFSA-N 1 1 400.448 4.762 40 0 HJABMO Cn1nccc1C[N@H+]1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000072374146 558961517 /nfs/dbraw/zinc/96/15/17/558961517.db2.gz QEQSTAWDQDZKKG-NRFANRHFSA-N 1 1 400.448 4.762 40 0 HJABMO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 ZINC000019694629 558963215 /nfs/dbraw/zinc/96/32/15/558963215.db2.gz JEZGAKYJJQGKNG-OAQYLSRUSA-N 1 1 424.980 4.807 40 0 HJABMO CCn1cc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cn1 ZINC000019694629 558963218 /nfs/dbraw/zinc/96/32/18/558963218.db2.gz JEZGAKYJJQGKNG-OAQYLSRUSA-N 1 1 424.980 4.807 40 0 HJABMO C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000072398622 558976265 /nfs/dbraw/zinc/97/62/65/558976265.db2.gz SWRULZWHTDBBPH-WWEVIYMKSA-N 1 1 421.585 4.521 40 0 HJABMO Cc1ccnc(Nc2cc([C@@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)nc(C)n2)c1 ZINC000585169385 559068034 /nfs/dbraw/zinc/06/80/34/559068034.db2.gz HOKDXDXBHZQWFB-GOSISDBHSA-N 1 1 409.484 4.890 40 0 HJABMO C[N@H+]1CCCN(C(=O)c2cc(-c3csc(-c4cccs4)n3)n3ccccc23)CC1 ZINC000096154890 559099160 /nfs/dbraw/zinc/09/91/60/559099160.db2.gz HKQLSNLSSSMVTQ-UHFFFAOYSA-N 1 1 422.579 4.569 40 0 HJABMO C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2cccc(F)c2)[C@H]1O ZINC000585263543 559111972 /nfs/dbraw/zinc/11/19/72/559111972.db2.gz BFOREAIUEJOGJZ-QKDODKLFSA-N 1 1 418.556 4.852 40 0 HJABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936093 559173779 /nfs/dbraw/zinc/17/37/79/559173779.db2.gz YEPDFOQGCJUBHX-UGKGYDQZSA-N 1 1 400.950 4.828 40 0 HJABMO COc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)c1 ZINC000072359004 559186051 /nfs/dbraw/zinc/18/60/51/559186051.db2.gz PGWDHPHGQLVFAY-IBGZPJMESA-N 1 1 407.489 4.550 40 0 HJABMO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409415059 560723489 /nfs/dbraw/zinc/72/34/89/560723489.db2.gz SCPFIOQUNAJIQW-HINZLTGWSA-N 1 1 417.597 4.912 40 0 HJABMO CCOc1c(Cl)cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000006155252 560739687 /nfs/dbraw/zinc/73/96/87/560739687.db2.gz YNJXQVQWGUFTAE-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO CCC(C)(C)n1nnnc1[C@@H](c1cccs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020098285 560880435 /nfs/dbraw/zinc/88/04/35/560880435.db2.gz BBOGMAUAIWZMEI-OAQYLSRUSA-N 1 1 409.603 4.924 40 0 HJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000005191389 568442551 /nfs/dbraw/zinc/44/25/51/568442551.db2.gz QMRMWHQBABTUIB-RZFJZAQRSA-N 1 1 422.569 4.619 40 0 HJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000005191389 568442552 /nfs/dbraw/zinc/44/25/52/568442552.db2.gz QMRMWHQBABTUIB-RZFJZAQRSA-N 1 1 422.569 4.619 40 0 HJABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022075682 568473978 /nfs/dbraw/zinc/47/39/78/568473978.db2.gz LKVCULLPGRWQPZ-UHFFFAOYSA-N 1 1 408.945 4.888 40 0 HJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)C1 ZINC000219240841 568488307 /nfs/dbraw/zinc/48/83/07/568488307.db2.gz UXXMHMHZSBHNOP-INIZCTEOSA-N 1 1 424.932 4.552 40 0 HJABMO CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000223656754 568555180 /nfs/dbraw/zinc/55/51/80/568555180.db2.gz CIWMTNGYFAKEBB-HXUWFJFHSA-N 1 1 412.549 4.530 40 0 HJABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCCCC1 ZINC000225534613 568648288 /nfs/dbraw/zinc/64/82/88/568648288.db2.gz YGFIJWBWUMRKFY-UHFFFAOYSA-N 1 1 422.569 4.628 40 0 HJABMO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225581687 568654097 /nfs/dbraw/zinc/65/40/97/568654097.db2.gz DDYQOSKDWHFEMR-UHFFFAOYSA-N 1 1 402.941 4.749 40 0 HJABMO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225591448 568655209 /nfs/dbraw/zinc/65/52/09/568655209.db2.gz MPDGPWOPEWZVEG-UHFFFAOYSA-N 1 1 402.941 4.829 40 0 HJABMO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225699283 568665688 /nfs/dbraw/zinc/66/56/88/568665688.db2.gz YEAUGMHZALWYHX-ROKPMTFOSA-N 1 1 404.595 4.967 40 0 HJABMO c1c2ccccc2oc1-c1nnc2sc(CC[N@H+]3CC[C@H](c4ccccc4)C3)nn21 ZINC000096194460 568704048 /nfs/dbraw/zinc/70/40/48/568704048.db2.gz VSAJFDHXTQTLNB-SFHVURJKSA-N 1 1 415.522 4.631 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260814553 568740109 /nfs/dbraw/zinc/74/01/09/568740109.db2.gz KNHXFUCDABLGTH-JXALWOEJSA-N 1 1 402.579 4.721 40 0 HJABMO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260814733 568740201 /nfs/dbraw/zinc/74/02/01/568740201.db2.gz MYVNTALTXNSVKF-DVECYGJZSA-N 1 1 402.579 4.864 40 0 HJABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](Cc3ccncc3)[C@H]1CCCCC(=O)N2 ZINC000257254138 568791577 /nfs/dbraw/zinc/79/15/77/568791577.db2.gz KBUSXULETOVHQN-ONTIZHBOSA-N 1 1 417.475 4.865 40 0 HJABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](Cc3ccncc3)[C@H]1CCCCC(=O)N2 ZINC000257254138 568791580 /nfs/dbraw/zinc/79/15/80/568791580.db2.gz KBUSXULETOVHQN-ONTIZHBOSA-N 1 1 417.475 4.865 40 0 HJABMO O=C(/C=C/c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000257302618 568804969 /nfs/dbraw/zinc/80/49/69/568804969.db2.gz SDOKZHSLGWDMED-LJAHQNNKSA-N 1 1 400.566 4.993 40 0 HJABMO O=C(c1ccsc1)N1C[C@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)c2ncccc21 ZINC000306136825 568898752 /nfs/dbraw/zinc/89/87/52/568898752.db2.gz QEMAVTSWHAIFMT-JOCHJYFZSA-N 1 1 409.942 4.601 40 0 HJABMO c1coc(C[N@H+]2CC[C@@]3(c4ccccc4)CCc4ncc(-c5ccncc5)n4C[C@H]23)c1 ZINC000306141510 568902938 /nfs/dbraw/zinc/90/29/38/568902938.db2.gz VYQVBDIBROBISY-AZGAKELHSA-N 1 1 410.521 4.697 40 0 HJABMO CC[C@@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329006787 568972342 /nfs/dbraw/zinc/97/23/42/568972342.db2.gz LFCMHQREWXRNCF-CYBMUJFWSA-N 1 1 401.352 4.890 40 0 HJABMO CC[C@@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329006787 568972344 /nfs/dbraw/zinc/97/23/44/568972344.db2.gz LFCMHQREWXRNCF-CYBMUJFWSA-N 1 1 401.352 4.890 40 0 HJABMO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1 ZINC000013756241 569004990 /nfs/dbraw/zinc/00/49/90/569004990.db2.gz UCRIIXJATPHSML-ISJBWFOZSA-N 1 1 408.586 4.732 40 0 HJABMO COc1ccc(-c2cc(C(=O)Nc3cccc(C[NH+]4CCC(C)CC4)c3)[nH]n2)cc1 ZINC000035317085 569052315 /nfs/dbraw/zinc/05/23/15/569052315.db2.gz GCRZFKIHBKWTAJ-UHFFFAOYSA-N 1 1 404.514 4.570 40 0 HJABMO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199091 569059024 /nfs/dbraw/zinc/05/90/24/569059024.db2.gz SCPFIOQUNAJIQW-JCPVEWQXSA-N 1 1 417.597 4.912 40 0 HJABMO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1 ZINC000004785549 569071496 /nfs/dbraw/zinc/07/14/96/569071496.db2.gz UCRIIXJATPHSML-IPVFLDMMSA-N 1 1 408.586 4.732 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019555110 569345705 /nfs/dbraw/zinc/34/57/05/569345705.db2.gz PAWMKIITWCDBRX-WMZHIEFXSA-N 1 1 421.566 4.535 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000019577335 569345736 /nfs/dbraw/zinc/34/57/36/569345736.db2.gz JJKKJDIFSMJYBC-RCZVLFRGSA-N 1 1 421.585 4.577 40 0 HJABMO Cn1cc(C[N@@H+]2CCO[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)c2ccccc21 ZINC000019693274 569346310 /nfs/dbraw/zinc/34/63/10/569346310.db2.gz RINMIGGKPNYVGB-JOCHJYFZSA-N 1 1 418.928 4.862 40 0 HJABMO Cn1cc(C[N@H+]2CCO[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)c2ccccc21 ZINC000019693274 569346311 /nfs/dbraw/zinc/34/63/11/569346311.db2.gz RINMIGGKPNYVGB-JOCHJYFZSA-N 1 1 418.928 4.862 40 0 HJABMO CC(C)n1c(C[N@H+]2CC[C@H](c3cc(COc4ccccc4)[nH]n3)C2)nc2ccccc21 ZINC000019704710 569347779 /nfs/dbraw/zinc/34/77/79/569347779.db2.gz KNNAHSVSPXTPMT-IBGZPJMESA-N 1 1 415.541 4.909 40 0 HJABMO CC(C)n1c(C[N@@H+]2CC[C@H](c3cc(COc4ccccc4)n[nH]3)C2)nc2ccccc21 ZINC000019704710 569347781 /nfs/dbraw/zinc/34/77/81/569347781.db2.gz KNNAHSVSPXTPMT-IBGZPJMESA-N 1 1 415.541 4.909 40 0 HJABMO CC(C)n1c(C[N@H+]2CC[C@H](c3cc(COc4ccccc4)n[nH]3)C2)nc2ccccc21 ZINC000019704710 569347782 /nfs/dbraw/zinc/34/77/82/569347782.db2.gz KNNAHSVSPXTPMT-IBGZPJMESA-N 1 1 415.541 4.909 40 0 HJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C)cc2)CC1 ZINC000020241839 569349625 /nfs/dbraw/zinc/34/96/25/569349625.db2.gz KIBPPHKTAZYZPV-UHFFFAOYSA-N 1 1 415.537 4.578 40 0 HJABMO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)CN2CCC(c3ccccc3)CC2)c1 ZINC000141570441 569354965 /nfs/dbraw/zinc/35/49/65/569354965.db2.gz LXIZWAHJCZGRDN-NRFANRHFSA-N 1 1 405.586 4.879 40 0 HJABMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)CN2CCC(c3ccccc3)CC2)c1 ZINC000141570441 569354967 /nfs/dbraw/zinc/35/49/67/569354967.db2.gz LXIZWAHJCZGRDN-NRFANRHFSA-N 1 1 405.586 4.879 40 0 HJABMO CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3cccs3)C2)cc1 ZINC000020503241 575369649 /nfs/dbraw/zinc/36/96/49/575369649.db2.gz UNTCDZABBGHJAP-FUHWJXTLSA-N 1 1 408.592 4.918 40 0 biogenic,in-vitro HJABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000049170155 291277160 /nfs/dbraw/zinc/27/71/60/291277160.db2.gz WKGCXGPDLKMMAF-INIZCTEOSA-N 1 1 403.404 4.754 40 0 biogenic,in-vitro HJABMO CC(=O)N1c2ccccc2C([C@@H](O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC000004416116 132277038 /nfs/dbraw/zinc/27/70/38/132277038.db2.gz HWZXWPXTTVBZTK-WPWBMXPQSA-N 1 1 404.554 4.832 40 0 HJABMO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225689444 520455792 /nfs/dbraw/zinc/45/57/92/520455792.db2.gz QZYRBDFGIZBLAJ-YKSBVNFPSA-N 1 1 404.595 4.967 40 0 HJABMO CCOc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OCC ZINC000044905197 520997709 /nfs/dbraw/zinc/99/77/09/520997709.db2.gz JEPVLAYKXMXBPH-IBGZPJMESA-N 1 1 410.558 4.646 40 0 HJABMO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044919800 521348325 /nfs/dbraw/zinc/34/83/25/521348325.db2.gz JSCGFWRPXGDQGD-UHFFFAOYSA-N 1 1 421.368 4.921 40 0 HJABMO CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911798 521471847 /nfs/dbraw/zinc/47/18/47/521471847.db2.gz UMVDBACGEVAGNW-LJQANCHMSA-N 1 1 414.933 4.676 40 0 HJABMO COc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044907130 523937481 /nfs/dbraw/zinc/93/74/81/523937481.db2.gz VJYRHBBQUUWNGN-UHFFFAOYSA-N 1 1 414.549 4.616 40 0 HJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(C)n(-c3cccnc3)c2C)o1 ZINC000043277755 524405008 /nfs/dbraw/zinc/40/50/08/524405008.db2.gz WBJQVXULJROJCD-UHFFFAOYSA-N 1 1 403.530 4.680 40 0 HJABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(F)cc1 ZINC000044934184 525069212 /nfs/dbraw/zinc/06/92/12/525069212.db2.gz ZOMKIIUOQZMJJK-OAHLLOKOSA-N 1 1 419.338 4.678 40 0 HJABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000044933491 525886690 /nfs/dbraw/zinc/88/66/90/525886690.db2.gz FXBJOIKNLNFPQW-KRWDZBQOSA-N 1 1 415.375 4.847 40 0 HJABMO Cc1cccc(CNc2n[nH]c3nc([C@H]4CCC[N@@H+](Cc5ccccc5)C4)ccc23)n1 ZINC000019742661 558262999 /nfs/dbraw/zinc/26/29/99/558262999.db2.gz WATCIACYONBFPE-FQEVSTJZSA-N 1 1 412.541 4.653 40 0 HJABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CCC[N@H+](Cc5ccccc5)C4)ccc32)n1 ZINC000019742661 558263001 /nfs/dbraw/zinc/26/30/01/558263001.db2.gz WATCIACYONBFPE-FQEVSTJZSA-N 1 1 412.541 4.653 40 0 HJABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CCC[N@@H+](Cc5ccccc5)C4)ccc32)n1 ZINC000019742661 558263003 /nfs/dbraw/zinc/26/30/03/558263003.db2.gz WATCIACYONBFPE-FQEVSTJZSA-N 1 1 412.541 4.653 40 0 HJABMO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2C2CCCCC2)nc1C ZINC000019753470 558272768 /nfs/dbraw/zinc/27/27/68/558272768.db2.gz RUXJSZOEGIITNI-OAQYLSRUSA-N 1 1 408.546 4.906 40 0 HJABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)ncc1C(=O)N(C)C ZINC000019765616 558278085 /nfs/dbraw/zinc/27/80/85/558278085.db2.gz FFJNRVXCSICSFD-XMMPIXPASA-N 1 1 414.553 4.881 40 0 HJABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)ncc1C(=O)N(C)C ZINC000019765616 558278086 /nfs/dbraw/zinc/27/80/86/558278086.db2.gz FFJNRVXCSICSFD-XMMPIXPASA-N 1 1 414.553 4.881 40 0 HJABMO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000030946138 558746481 /nfs/dbraw/zinc/74/64/81/558746481.db2.gz LPXUERPNYRAPAX-UHFFFAOYSA-N 1 1 421.368 4.873 40 0 HJABMO S=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035781037 558795160 /nfs/dbraw/zinc/79/51/60/558795160.db2.gz LJMIHNWGPQSCOB-XWDORNJCSA-N 1 1 402.007 4.932 40 0 HJABMO CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](C)C3 ZINC000016575181 558795887 /nfs/dbraw/zinc/79/58/87/558795887.db2.gz BFLFOCZBTYJSHI-UHFFFAOYSA-N 1 1 413.612 4.632 40 0 HJABMO CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](C)C3 ZINC000016575181 558795890 /nfs/dbraw/zinc/79/58/90/558795890.db2.gz BFLFOCZBTYJSHI-UHFFFAOYSA-N 1 1 413.612 4.632 40 0 HJABMO Cc1ccnc(-n2cccc2C[N@@H+](CCCn2ccnc2)Cc2ccc(F)cc2)c1 ZINC000036740145 558801669 /nfs/dbraw/zinc/80/16/69/558801669.db2.gz NTZNPTXVYBXAHG-UHFFFAOYSA-N 1 1 403.505 4.609 40 0 HJABMO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCc2ccc(Cl)cc2Cl)cc1 ZINC000017039536 558812369 /nfs/dbraw/zinc/81/23/69/558812369.db2.gz PDKJFRHBGYGOHD-UHFFFAOYSA-N 1 1 418.372 4.744 40 0 HJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)C1 ZINC000038771351 558815102 /nfs/dbraw/zinc/81/51/02/558815102.db2.gz GSIIWJQYTMALEW-HXUWFJFHSA-N 1 1 419.569 4.797 40 0 HJABMO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833927 558817254 /nfs/dbraw/zinc/81/72/54/558817254.db2.gz VVWHURCOZMWHEK-HNNXBMFYSA-N 1 1 407.739 4.953 40 0 HJABMO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038833890 558817269 /nfs/dbraw/zinc/81/72/69/558817269.db2.gz RSRRHJMZRYEQES-UHFFFAOYSA-N 1 1 407.739 4.953 40 0 HJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c(OC)c1 ZINC000038834656 558817800 /nfs/dbraw/zinc/81/78/00/558817800.db2.gz WUWWWOHHDGLQTR-UHFFFAOYSA-N 1 1 423.340 4.861 40 0 HJABMO Cc1ccc(-c2nnc(C3CC[NH+](Cc4cc5c(cc4Cl)OCO5)CC3)o2)s1 ZINC000019217830 558850796 /nfs/dbraw/zinc/85/07/96/558850796.db2.gz SMGKAPYKSZPGJL-UHFFFAOYSA-N 1 1 417.918 4.868 40 0 HJABMO Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccncc1 ZINC000019237258 558856526 /nfs/dbraw/zinc/85/65/26/558856526.db2.gz PYRJSHIZWRBHBB-HJOGWXRNSA-N 1 1 417.578 4.582 40 0 HJABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019400581 558883066 /nfs/dbraw/zinc/88/30/66/558883066.db2.gz AHYXWHRDNZKYSF-PXDATVDWSA-N 1 1 409.549 4.871 40 0 HJABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019400639 558883130 /nfs/dbraw/zinc/88/31/30/558883130.db2.gz GVMOOXRARZPCAJ-SQJMNOBHSA-N 1 1 409.549 4.871 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000019400644 558883289 /nfs/dbraw/zinc/88/32/89/558883289.db2.gz OTUMIUCTZRIJTC-GBXCKJPGSA-N 1 1 421.491 4.743 40 0 HJABMO CCCOc1ccccc1C[N@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019525167 558906500 /nfs/dbraw/zinc/90/65/00/558906500.db2.gz JSLROESNQPFBPV-FQEVSTJZSA-N 1 1 421.545 4.632 40 0 HJABMO CCCOc1ccccc1C[N@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019525166 558906555 /nfs/dbraw/zinc/90/65/55/558906555.db2.gz JSLROESNQPFBPV-HXUWFJFHSA-N 1 1 421.545 4.632 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)c(OC)c1 ZINC000019564332 558924504 /nfs/dbraw/zinc/92/45/04/558924504.db2.gz QDCHAYJSGDNBIY-CQSZACIVSA-N 1 1 417.456 4.866 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000072341439 558939747 /nfs/dbraw/zinc/93/97/47/558939747.db2.gz RRXVUHBFJQNFRY-FPOVZHCZSA-N 1 1 409.530 4.666 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CCCC1 ZINC000072341419 558939760 /nfs/dbraw/zinc/93/97/60/558939760.db2.gz XNKYNBCQZVBIDK-QUCCMNQESA-N 1 1 401.551 4.542 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CCCC1 ZINC000072341418 558939773 /nfs/dbraw/zinc/93/97/73/558939773.db2.gz XNKYNBCQZVBIDK-ICSRJNTNSA-N 1 1 401.551 4.542 40 0 HJABMO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)n2)c1 ZINC000072350440 558947374 /nfs/dbraw/zinc/94/73/74/558947374.db2.gz WBQFPBRHUQOPKH-JOCHJYFZSA-N 1 1 410.521 4.708 40 0 HJABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000072359001 558954722 /nfs/dbraw/zinc/95/47/22/558954722.db2.gz MZJMRKVTPVPKSI-GOSISDBHSA-N 1 1 407.489 4.550 40 0 HJABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361002 558955707 /nfs/dbraw/zinc/95/57/07/558955707.db2.gz PQMCVRIKGQOQAS-QGZVFWFLSA-N 1 1 416.550 4.536 40 0 HJABMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019688682 558958221 /nfs/dbraw/zinc/95/82/21/558958221.db2.gz UYWHNPUHUDSAON-HXUWFJFHSA-N 1 1 412.541 4.849 40 0 HJABMO COc1cccc(OCCc2cc([C@@H]3CC[N@@H+](C/C(C)=C/c4ccccc4)C3)[nH]n2)c1 ZINC000072371560 558958445 /nfs/dbraw/zinc/95/84/45/558958445.db2.gz BHNMVWAVTHFTAL-GFCAVMEOSA-N 1 1 417.553 4.933 40 0 HJABMO COc1cccc(OCCc2cc([C@@H]3CC[N@H+](C/C(C)=C/c4ccccc4)C3)n[nH]2)c1 ZINC000072371560 558958446 /nfs/dbraw/zinc/95/84/46/558958446.db2.gz BHNMVWAVTHFTAL-GFCAVMEOSA-N 1 1 417.553 4.933 40 0 HJABMO COc1cccc(OCCc2cc([C@@H]3CC[N@@H+](C/C(C)=C/c4ccccc4)C3)n[nH]2)c1 ZINC000072371560 558958447 /nfs/dbraw/zinc/95/84/47/558958447.db2.gz BHNMVWAVTHFTAL-GFCAVMEOSA-N 1 1 417.553 4.933 40 0 HJABMO Cc1nc2ccccc2n1Cc1cc(N[C@@H](C)c2ccc(OC(C)C)cc2)nc(N)[nH+]1 ZINC000072373259 558961037 /nfs/dbraw/zinc/96/10/37/558961037.db2.gz RQECUMUOJCDELF-INIZCTEOSA-N 1 1 416.529 4.726 40 0 HJABMO Cc1c(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019694317 558962631 /nfs/dbraw/zinc/96/26/31/558962631.db2.gz HSKNQWROYMEECT-NRFANRHFSA-N 1 1 424.980 4.632 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)c2cc(F)ccc21 ZINC000072376096 558965100 /nfs/dbraw/zinc/96/51/00/558965100.db2.gz ZCXOZFQRXMMURS-QGZVFWFLSA-N 1 1 416.504 4.626 40 0 HJABMO CCn1cc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c(C)n1 ZINC000072376628 558965810 /nfs/dbraw/zinc/96/58/10/558965810.db2.gz XWRKMKKEZIMVRC-NRFANRHFSA-N 1 1 424.980 4.725 40 0 HJABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398620 558976391 /nfs/dbraw/zinc/97/63/91/558976391.db2.gz YQXYCXVLJBZQTO-URXFXBBRSA-N 1 1 423.601 4.984 40 0 HJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000585165371 559066415 /nfs/dbraw/zinc/06/64/15/559066415.db2.gz LIXDECDNUFAKLZ-FQEVSTJZSA-N 1 1 422.960 4.715 40 0 HJABMO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3nccs3)CC1)nc2-c1cccnc1 ZINC000096100009 559095263 /nfs/dbraw/zinc/09/52/63/559095263.db2.gz CKFULBXRYKEAIT-UHFFFAOYSA-N 1 1 418.570 4.910 40 0 HJABMO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000113952132 559182962 /nfs/dbraw/zinc/18/29/62/559182962.db2.gz YNVQUJPPOQQOOV-UHFFFAOYSA-N 1 1 407.341 4.530 40 0 HJABMO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000072358902 559186125 /nfs/dbraw/zinc/18/61/25/559186125.db2.gz OYBCWZVGABOIDO-QHCPKHFHSA-N 1 1 414.553 4.914 40 0 HJABMO CN(Cc1ccccc1)[C@@H]1CC[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)[C@@H]1O ZINC000257266498 559284939 /nfs/dbraw/zinc/28/49/39/559284939.db2.gz MDGRKROCEVWCHA-JCYYIGJDSA-N 1 1 414.593 4.755 40 0 HJABMO Fc1ccccc1Cc1cccc([C@H]2C[N@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257294525 559285675 /nfs/dbraw/zinc/28/56/75/559285675.db2.gz QUOBHGGPTDYLJI-AREMUKBSSA-N 1 1 413.496 4.933 40 0 HJABMO Fc1ccccc1Cc1cccc([C@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257294525 559285677 /nfs/dbraw/zinc/28/56/77/559285677.db2.gz QUOBHGGPTDYLJI-AREMUKBSSA-N 1 1 413.496 4.933 40 0 HJABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000514290139 560030718 /nfs/dbraw/zinc/03/07/18/560030718.db2.gz SJLLHHAKWHCJJL-IRLDBZIGSA-N 1 1 414.496 4.585 40 0 biogenic,in-vitro HJABMO O=C(C[NH+]1CCCCC1)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000000892306 560543280 /nfs/dbraw/zinc/54/32/80/560543280.db2.gz ATVITNWPZMXUJZ-UHFFFAOYSA-N 1 1 406.313 4.670 40 0 HJABMO CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000017090460 560865245 /nfs/dbraw/zinc/86/52/45/560865245.db2.gz GAOPFNJIVKVPQA-KRWDZBQOSA-N 1 1 415.965 4.623 40 0 HJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000005219360 568442782 /nfs/dbraw/zinc/44/27/82/568442782.db2.gz MKTCJRDZURCFKV-RZFJZAQRSA-N 1 1 422.569 4.619 40 0 HJABMO CCN(CC)CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000022075547 568473924 /nfs/dbraw/zinc/47/39/24/568473924.db2.gz ORWXTUVBPIGUBU-UHFFFAOYSA-N 1 1 409.343 4.599 40 0 HJABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Cl)c1OCc1ccccc1F ZINC000022075709 568473932 /nfs/dbraw/zinc/47/39/32/568473932.db2.gz BLOLWMCRGZBKIZ-UHFFFAOYSA-N 1 1 408.945 4.888 40 0 HJABMO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000223416094 568548096 /nfs/dbraw/zinc/54/80/96/568548096.db2.gz AKUALPQSGYPHRS-UHFFFAOYSA-N 1 1 414.549 4.671 40 0 HJABMO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224538397 568584146 /nfs/dbraw/zinc/58/41/46/568584146.db2.gz BSVRXICULSABMD-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225581649 568654091 /nfs/dbraw/zinc/65/40/91/568654091.db2.gz CQUCHGFPPGPREG-UHFFFAOYSA-N 1 1 402.941 4.749 40 0 HJABMO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225585546 568654497 /nfs/dbraw/zinc/65/44/97/568654497.db2.gz RGTVUBXLZWBLPM-UHFFFAOYSA-N 1 1 406.904 4.579 40 0 HJABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCCC1 ZINC000260814683 568740138 /nfs/dbraw/zinc/74/01/38/568740138.db2.gz MGECJCHULUSPJF-FQEVSTJZSA-N 1 1 402.579 4.865 40 0 HJABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000257283684 568799473 /nfs/dbraw/zinc/79/94/73/568799473.db2.gz OZJKIJXVMAEPKQ-INIZCTEOSA-N 1 1 403.551 4.742 40 0 HJABMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290269 568801494 /nfs/dbraw/zinc/80/14/94/568801494.db2.gz QCFDYOQIZZKYPI-HSZRJFAPSA-N 1 1 402.542 4.718 40 0 HJABMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290269 568801496 /nfs/dbraw/zinc/80/14/96/568801496.db2.gz QCFDYOQIZZKYPI-HSZRJFAPSA-N 1 1 402.542 4.718 40 0 HJABMO Cc1cccc(Nc2cccc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)n1 ZINC000257295246 568802832 /nfs/dbraw/zinc/80/28/32/568802832.db2.gz QXORAKGICRSCTQ-QHCPKHFHSA-N 1 1 411.509 4.650 40 0 HJABMO Cc1cccc(Nc2cccc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)n1 ZINC000257295246 568802835 /nfs/dbraw/zinc/80/28/35/568802835.db2.gz QXORAKGICRSCTQ-QHCPKHFHSA-N 1 1 411.509 4.650 40 0 HJABMO COc1ccc(-c2cccc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257300550 568804694 /nfs/dbraw/zinc/80/46/94/568804694.db2.gz RUSHOKXZCAOYBD-AREMUKBSSA-N 1 1 411.505 4.879 40 0 HJABMO COc1ccc(-c2cccc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257300550 568804695 /nfs/dbraw/zinc/80/46/95/568804695.db2.gz RUSHOKXZCAOYBD-AREMUKBSSA-N 1 1 411.505 4.879 40 0 HJABMO O=C(c1ccsc1)N1C[C@]2(CC[N@H+](Cc3ccc(Cl)cc3)C2)c2ncccc21 ZINC000306133814 568895891 /nfs/dbraw/zinc/89/58/91/568895891.db2.gz MWZUCQGTFQYNSJ-JOCHJYFZSA-N 1 1 409.942 4.601 40 0 HJABMO Cc1nc(NCc2ccccc2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328958399 568969710 /nfs/dbraw/zinc/96/97/10/568969710.db2.gz ANJLFFIAWVKGAH-UHFFFAOYSA-N 1 1 414.431 4.858 40 0 HJABMO Cc1nc(NCc2ccccc2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329064352 568975393 /nfs/dbraw/zinc/97/53/93/568975393.db2.gz XJMHVVJINRXALQ-UHFFFAOYSA-N 1 1 409.331 4.722 40 0 HJABMO COc1ccc(-c2cc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)n[nH]2)cc1 ZINC000035317079 569052260 /nfs/dbraw/zinc/05/22/60/569052260.db2.gz LWLUTRYEUPOGNL-QGZVFWFLSA-N 1 1 404.514 4.712 40 0 HJABMO COc1ccc(-c2cc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)[nH]n2)cc1 ZINC000035317079 569052261 /nfs/dbraw/zinc/05/22/61/569052261.db2.gz LWLUTRYEUPOGNL-QGZVFWFLSA-N 1 1 404.514 4.712 40 0 HJABMO COc1ccc(-c2cc(C(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)[nH]n2)cc1 ZINC000035317079 569052262 /nfs/dbraw/zinc/05/22/62/569052262.db2.gz LWLUTRYEUPOGNL-QGZVFWFLSA-N 1 1 404.514 4.712 40 0 HJABMO C[C@H](C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000248137586 569316295 /nfs/dbraw/zinc/31/62/95/569316295.db2.gz AMPDDSIZYOYEQN-UZKOGDIHSA-N 1 1 420.582 4.525 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000248132328 569316335 /nfs/dbraw/zinc/31/63/35/569316335.db2.gz XOXJGZHJMGRMII-SLSDLSHTSA-N 1 1 403.570 4.929 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000019577332 569345807 /nfs/dbraw/zinc/34/58/07/569345807.db2.gz SLWQLUZMKVLMLA-ZJSXRUAMSA-N 1 1 423.601 4.823 40 0 HJABMO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)(C)C)CC2)sc1CCOc1ccccc1 ZINC000019738740 569348559 /nfs/dbraw/zinc/34/85/59/569348559.db2.gz GVNOERWHFFLDMY-QHCPKHFHSA-N 1 1 402.604 4.793 40 0 HJABMO Fc1ccccc1COc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000033524611 569350588 /nfs/dbraw/zinc/35/05/88/569350588.db2.gz ANOLBLCLBJTGEA-UHFFFAOYSA-N 1 1 420.553 4.898 40 0 HJABMO CC1=C[C@@H](C[N@@H+](C)CCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882849 291274226 /nfs/dbraw/zinc/27/42/26/291274226.db2.gz NLJGHDRVMGNAPD-VABKMULXSA-N 1 1 410.606 4.627 40 0 biogenic,in-vitro HJABMO CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044916113 519782780 /nfs/dbraw/zinc/78/27/80/519782780.db2.gz FSWZHEZTISLMBX-QFIPXVFZSA-N 1 1 412.549 4.574 40 0 HJABMO CCOc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1OCC ZINC000044905670 521255616 /nfs/dbraw/zinc/25/56/16/521255616.db2.gz DSPGRHOYKSOWPS-KRWDZBQOSA-N 1 1 407.514 4.528 40 0 HJABMO COc1cccc(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000044906926 525890661 /nfs/dbraw/zinc/89/06/61/525890661.db2.gz JIIGMXMYRPKYML-UHFFFAOYSA-N 1 1 414.549 4.616 40 0 HJABMO COc1cccc(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000225907719 526130220 /nfs/dbraw/zinc/13/02/20/526130220.db2.gz YMWJZKFUKVEKSH-INIZCTEOSA-N 1 1 407.341 4.877 40 0 HJABMO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855212 526188069 /nfs/dbraw/zinc/18/80/69/526188069.db2.gz FEHJMIGOEQMILR-KNQAVFIVSA-N 1 1 410.533 4.765 40 0 HJABMO Nc1nc(N)c(-c2cccc(C(F)(F)F)c2)c(Cc2cccc(C(F)(F)F)c2)[nH+]1 ZINC000001697163 557281461 /nfs/dbraw/zinc/28/14/61/557281461.db2.gz CQCYWCWYOWSXIW-UHFFFAOYSA-N 1 1 412.337 4.936 40 0 in-vitro HJABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)cc(Cl)c1OCc1ccccc1 ZINC000408571685 557468918 /nfs/dbraw/zinc/46/89/18/557468918.db2.gz CKQJGMMPAAHNHC-UHFFFAOYSA-N 1 1 418.990 4.631 40 0 HJABMO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCC[N@@H+](Cc5ccccc5)C4)ccc23)n1 ZINC000019742660 558263075 /nfs/dbraw/zinc/26/30/75/558263075.db2.gz WATCIACYONBFPE-HXUWFJFHSA-N 1 1 412.541 4.653 40 0 HJABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCC[N@H+](Cc5ccccc5)C4)ccc32)n1 ZINC000019742660 558263079 /nfs/dbraw/zinc/26/30/79/558263079.db2.gz WATCIACYONBFPE-HXUWFJFHSA-N 1 1 412.541 4.653 40 0 HJABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCC[N@@H+](Cc5ccccc5)C4)ccc32)n1 ZINC000019742660 558263082 /nfs/dbraw/zinc/26/30/82/558263082.db2.gz WATCIACYONBFPE-HXUWFJFHSA-N 1 1 412.541 4.653 40 0 HJABMO Cc1nc([C@H]2CCC[N@H+]2C2CCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743120 558263577 /nfs/dbraw/zinc/26/35/77/558263577.db2.gz UTNGFMUNJHAGQH-JOCHJYFZSA-N 1 1 422.548 4.873 40 0 HJABMO Nc1ncnc2nc([C@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743219 558263758 /nfs/dbraw/zinc/26/37/58/558263758.db2.gz OWKGSBIENCYALF-ZDUSSCGKSA-N 1 1 421.854 4.659 40 0 HJABMO Cc1nc([C@H]2CC[N@@H+](CCc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753194 558272433 /nfs/dbraw/zinc/27/24/33/558272433.db2.gz RNCINCDAMATFAZ-IBGZPJMESA-N 1 1 420.944 4.723 40 0 HJABMO Cc1cnc(-c2nc(C3CC[NH+](Cc4c(Cl)cccc4Cl)CC3)no2)cn1 ZINC000012187334 558346332 /nfs/dbraw/zinc/34/63/32/558346332.db2.gz BGFAGJZAEPMICV-UHFFFAOYSA-N 1 1 404.301 4.521 40 0 HJABMO CCOc1ccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000022913875 558520797 /nfs/dbraw/zinc/52/07/97/558520797.db2.gz QAYGPQYPCRDNAN-UHFFFAOYSA-N 1 1 400.522 4.574 40 0 HJABMO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039748496 558687161 /nfs/dbraw/zinc/68/71/61/558687161.db2.gz QFIVNFRBSSRLCU-OAHLLOKOSA-N 1 1 404.913 4.577 40 0 HJABMO COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)ccc1Cl ZINC000030938829 558745068 /nfs/dbraw/zinc/74/50/68/558745068.db2.gz CGJMZMAWVRWECL-OAHLLOKOSA-N 1 1 421.324 4.631 40 0 HJABMO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030944210 558746175 /nfs/dbraw/zinc/74/61/75/558746175.db2.gz IYYAKEZLNGMNJO-QHCPKHFHSA-N 1 1 402.513 4.944 40 0 HJABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000030946497 558746578 /nfs/dbraw/zinc/74/65/78/558746578.db2.gz JXPWQSFKKMQKBB-UHFFFAOYSA-N 1 1 421.324 4.631 40 0 HJABMO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834523 558817675 /nfs/dbraw/zinc/81/76/75/558817675.db2.gz VSJVWLPEHWKBTE-OAHLLOKOSA-N 1 1 421.324 4.631 40 0 HJABMO COC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038834523 558817676 /nfs/dbraw/zinc/81/76/76/558817676.db2.gz VSJVWLPEHWKBTE-OAHLLOKOSA-N 1 1 421.324 4.631 40 0 HJABMO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038857667 558819571 /nfs/dbraw/zinc/81/95/71/558819571.db2.gz DHWSFJAGDZAKBF-OAHLLOKOSA-N 1 1 420.340 4.803 40 0 HJABMO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038857667 558819573 /nfs/dbraw/zinc/81/95/73/558819573.db2.gz DHWSFJAGDZAKBF-OAHLLOKOSA-N 1 1 420.340 4.803 40 0 HJABMO COc1ccccc1C[N@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C(C)(C)C ZINC000019081657 558839785 /nfs/dbraw/zinc/83/97/85/558839785.db2.gz PNQNEJAJRVDSLD-NJDAHSKKSA-N 1 1 412.599 4.619 40 0 HJABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccc(F)c3F)CC[C@H]21 ZINC000019081639 558839800 /nfs/dbraw/zinc/83/98/00/558839800.db2.gz OJLDEUSFYDOZHU-QWFCFKBJSA-N 1 1 418.553 4.889 40 0 HJABMO Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2cccc(OC(C)C)c2)on1 ZINC000019122524 558843685 /nfs/dbraw/zinc/84/36/85/558843685.db2.gz NIIPEZZHKQONCO-OAQYLSRUSA-N 1 1 421.545 4.630 40 0 HJABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019236821 558855907 /nfs/dbraw/zinc/85/59/07/558855907.db2.gz CYNZVDQDPCZVBW-SQJMNOBHSA-N 1 1 417.528 4.912 40 0 HJABMO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349221 558874832 /nfs/dbraw/zinc/87/48/32/558874832.db2.gz CIMZCTYXVIONEJ-FUDKSRODSA-N 1 1 412.574 4.894 40 0 HJABMO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)C1CCC1 ZINC000019400791 558883283 /nfs/dbraw/zinc/88/32/83/558883283.db2.gz TYPRYZWDNSIUQA-QFIPXVFZSA-N 1 1 415.940 4.744 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000019400655 558883407 /nfs/dbraw/zinc/88/34/07/558883407.db2.gz LUQCUPUKHROZKV-PGRDOPGGSA-N 1 1 409.530 4.666 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449560 558888043 /nfs/dbraw/zinc/88/80/43/558888043.db2.gz WFUPEHJVMOGTTL-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2n1 ZINC000019452286 558890105 /nfs/dbraw/zinc/89/01/05/558890105.db2.gz IPERPZIYARYTCB-INIZCTEOSA-N 1 1 403.452 4.646 40 0 HJABMO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cn1 ZINC000019524924 558906293 /nfs/dbraw/zinc/90/62/93/558906293.db2.gz DESUMKVPZYPBQS-HXUWFJFHSA-N 1 1 410.518 4.693 40 0 HJABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cn1 ZINC000019524924 558906297 /nfs/dbraw/zinc/90/62/97/558906297.db2.gz DESUMKVPZYPBQS-HXUWFJFHSA-N 1 1 410.518 4.693 40 0 HJABMO COc1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)ccc1O ZINC000019550070 558914978 /nfs/dbraw/zinc/91/49/78/558914978.db2.gz MGNDMDWSGXFISA-IBGZPJMESA-N 1 1 422.481 4.902 40 0 HJABMO COc1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)ccc1O ZINC000019550070 558914980 /nfs/dbraw/zinc/91/49/80/558914980.db2.gz MGNDMDWSGXFISA-IBGZPJMESA-N 1 1 422.481 4.902 40 0 HJABMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000019551194 558915362 /nfs/dbraw/zinc/91/53/62/558915362.db2.gz UNYKOJHHYVKMAP-LAUBAEHRSA-N 1 1 401.553 4.508 40 0 HJABMO COc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc3cc(F)ccc3n2)cc1 ZINC000019554735 558917661 /nfs/dbraw/zinc/91/76/61/558917661.db2.gz MIQJMMWMLKDXPQ-UHFFFAOYSA-N 1 1 404.489 4.672 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000072330503 558934881 /nfs/dbraw/zinc/93/48/81/558934881.db2.gz OTUMIUCTZRIJTC-RDPSFJRHSA-N 1 1 421.491 4.743 40 0 HJABMO CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 ZINC000019584592 558938668 /nfs/dbraw/zinc/93/86/68/558938668.db2.gz BPEPDYVHJXPJJY-OAQYLSRUSA-N 1 1 424.552 4.532 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000072341434 558939776 /nfs/dbraw/zinc/93/97/76/558939776.db2.gz ZGFPMJITQAXRLK-CTNGQTDRSA-N 1 1 409.530 4.666 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CCCC1 ZINC000072341416 558939798 /nfs/dbraw/zinc/93/97/98/558939798.db2.gz BJZPMXNUCFTXNP-ICSRJNTNSA-N 1 1 401.551 4.542 40 0 HJABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 ZINC000072350213 558947020 /nfs/dbraw/zinc/94/70/20/558947020.db2.gz LGAMKLRJYADPFK-FQEVSTJZSA-N 1 1 411.977 4.516 40 0 HJABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352457 558949019 /nfs/dbraw/zinc/94/90/19/558949019.db2.gz IYQXBHJSWMYSBF-SFHVURJKSA-N 1 1 401.535 4.799 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c2cc(F)ccc21 ZINC000072353453 558950492 /nfs/dbraw/zinc/95/04/92/558950492.db2.gz VNVVSRIRXYWMSG-QGZVFWFLSA-N 1 1 416.504 4.626 40 0 HJABMO Fc1ccc(-c2nc3sccn3c2C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1 ZINC000019663010 558954085 /nfs/dbraw/zinc/95/40/85/558954085.db2.gz CRUNDFRCVZJROY-FQEVSTJZSA-N 1 1 422.529 4.778 40 0 HJABMO Fc1ccc(-c2nc3sccn3c2C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1 ZINC000019663010 558954088 /nfs/dbraw/zinc/95/40/88/558954088.db2.gz CRUNDFRCVZJROY-FQEVSTJZSA-N 1 1 422.529 4.778 40 0 HJABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000072359002 558954773 /nfs/dbraw/zinc/95/47/73/558954773.db2.gz MZJMRKVTPVPKSI-SFHVURJKSA-N 1 1 407.489 4.550 40 0 HJABMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019688684 558958174 /nfs/dbraw/zinc/95/81/74/558958174.db2.gz UYWHNPUHUDSAON-FQEVSTJZSA-N 1 1 412.541 4.849 40 0 HJABMO COc1ccc2c(C[N@H+]3CCC[C@@H]3c3cc(-c4cnn(C)c4)cc(C)n3)cn(C)c2c1 ZINC000019690995 558960491 /nfs/dbraw/zinc/96/04/91/558960491.db2.gz CLDFGJLDJJRMHY-XMMPIXPASA-N 1 1 415.541 4.628 40 0 HJABMO COc1cc(C)ccc1C[N@H+]1CCC[C@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 ZINC000072375726 558964617 /nfs/dbraw/zinc/96/46/17/558964617.db2.gz MCYLFNPWGDUKGD-NRFANRHFSA-N 1 1 403.530 4.886 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccncc3)[nH]n2)c1 ZINC000019703675 558967700 /nfs/dbraw/zinc/96/77/00/558967700.db2.gz JOTWNPOFKVETLN-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccncc3)[nH]n2)c1 ZINC000019703675 558967703 /nfs/dbraw/zinc/96/77/03/558967703.db2.gz JOTWNPOFKVETLN-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)[nH]n2)cc1 ZINC000019703683 558967735 /nfs/dbraw/zinc/96/77/35/558967735.db2.gz UIJHTFBRCPNETM-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)[nH]n2)cc1 ZINC000019703683 558967738 /nfs/dbraw/zinc/96/77/38/558967738.db2.gz UIJHTFBRCPNETM-NRFANRHFSA-N 1 1 416.447 4.782 40 0 HJABMO CCOc1ccccc1C[N@@H+](Cc1ccc(F)cc1)[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000072395082 558973817 /nfs/dbraw/zinc/97/38/17/558973817.db2.gz AKQIOQBBNRNPDU-ZJSXRUAMSA-N 1 1 424.516 4.781 40 0 HJABMO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257222289 559283628 /nfs/dbraw/zinc/28/36/28/559283628.db2.gz DSSITBDOODWRMY-AHWVRZQESA-N 1 1 422.569 4.589 40 0 HJABMO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cc1 ZINC000257222289 559283630 /nfs/dbraw/zinc/28/36/30/559283630.db2.gz DSSITBDOODWRMY-AHWVRZQESA-N 1 1 422.569 4.589 40 0 HJABMO O=C(Cc1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000017092044 560866742 /nfs/dbraw/zinc/86/67/42/560866742.db2.gz WFCNPJSHDLSZOS-UHFFFAOYSA-N 1 1 419.956 4.843 40 0 HJABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000224538251 568584129 /nfs/dbraw/zinc/58/41/29/568584129.db2.gz XRJWEDDBCDHEGM-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000225301166 568628849 /nfs/dbraw/zinc/62/88/49/568628849.db2.gz OXCMCRGRARWYCH-UHFFFAOYSA-N 1 1 421.551 4.636 40 0 HJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(Br)c(C)c1 ZINC000225449777 568639025 /nfs/dbraw/zinc/63/90/25/568639025.db2.gz PIYNRTBKTQDUGN-UHFFFAOYSA-N 1 1 415.360 4.738 40 0 HJABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(Br)cc1F ZINC000225582553 568654081 /nfs/dbraw/zinc/65/40/81/568654081.db2.gz XNMQYJOPXGUFGE-AWEZNQCLSA-N 1 1 402.377 4.529 40 0 HJABMO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225672914 568662720 /nfs/dbraw/zinc/66/27/20/568662720.db2.gz MYVNTALTXNSVKF-YADARESESA-N 1 1 402.579 4.864 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225720286 568667805 /nfs/dbraw/zinc/66/78/05/568667805.db2.gz ZAGTXMRRVPGXPW-ITGJCUMNSA-N 1 1 402.579 4.721 40 0 HJABMO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2CC)C[C@@H]1Oc1ccccc1 ZINC000257209611 568778998 /nfs/dbraw/zinc/77/89/98/568778998.db2.gz BRCBNFJENGNQQQ-AHWVRZQESA-N 1 1 424.585 4.652 40 0 HJABMO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2CC)C[C@@H]1Oc1ccccc1 ZINC000257209611 568778999 /nfs/dbraw/zinc/77/89/99/568778999.db2.gz BRCBNFJENGNQQQ-AHWVRZQESA-N 1 1 424.585 4.652 40 0 HJABMO COc1cccc2cc(C[N@H+]3CC[C@@H]4[C@H]3CCCC(=O)N4Cc3ccccc3)oc21 ZINC000257251984 568790943 /nfs/dbraw/zinc/79/09/43/568790943.db2.gz JTCZKFLBKVCFRA-FGZHOGPDSA-N 1 1 404.510 4.597 40 0 HJABMO CCn1cc(C[N@H+]2CC[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257258780 568792428 /nfs/dbraw/zinc/79/24/28/568792428.db2.gz KVMNTDDNIHGAED-GOSISDBHSA-N 1 1 410.591 4.721 40 0 HJABMO CC(C)C[C@@H]1[C@H](Nc2ccccc2)CCC[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000257293595 568802758 /nfs/dbraw/zinc/80/27/58/568802758.db2.gz QQHZCYAPIXBZJQ-DHIUTWEWSA-N 1 1 400.588 4.581 40 0 HJABMO Cc1cccc(Nc2cccc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)n1 ZINC000257295245 568802982 /nfs/dbraw/zinc/80/29/82/568802982.db2.gz QXORAKGICRSCTQ-HSZRJFAPSA-N 1 1 411.509 4.650 40 0 HJABMO Cc1cccc(Nc2cccc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)n1 ZINC000257295245 568802986 /nfs/dbraw/zinc/80/29/86/568802986.db2.gz QXORAKGICRSCTQ-HSZRJFAPSA-N 1 1 411.509 4.650 40 0 HJABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](Cc4ccoc4)C3)nn2c1 ZINC000306134300 568896352 /nfs/dbraw/zinc/89/63/52/568896352.db2.gz NIJKOVCAXMHYHE-SFHVURJKSA-N 1 1 406.461 4.517 40 0 HJABMO COc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3)nc(C(C)C)[nH+]1)CC2 ZINC000328970725 568970474 /nfs/dbraw/zinc/97/04/74/568970474.db2.gz DLOPPQFWFPZEQW-UHFFFAOYSA-N 1 1 418.541 4.792 40 0 HJABMO Cc1ccccc1C[N@@H+]1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000057775224 569053707 /nfs/dbraw/zinc/05/37/07/569053707.db2.gz WJPKVEDRSGHVDO-AREMUKBSSA-N 1 1 417.553 4.563 40 0 HJABMO Fc1cccc(COc2ccccc2C(=S)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000006228350 569330039 /nfs/dbraw/zinc/33/00/39/569330039.db2.gz OKJWEWDYEHWOHO-UHFFFAOYSA-N 1 1 420.553 4.898 40 0 HJABMO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009062761 569342293 /nfs/dbraw/zinc/34/22/93/569342293.db2.gz KHNDKBHDSOIBND-UHFFFAOYSA-N 1 1 402.941 4.749 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000019292887 569345387 /nfs/dbraw/zinc/34/53/87/569345387.db2.gz AYRYYEHYEXSHNL-CRAIPNDOSA-N 1 1 424.397 4.929 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000019292887 569345388 /nfs/dbraw/zinc/34/53/88/569345388.db2.gz AYRYYEHYEXSHNL-CRAIPNDOSA-N 1 1 424.397 4.929 40 0 HJABMO COc1ccccc1OCc1cc([C@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)n[nH]1 ZINC000019704358 569347721 /nfs/dbraw/zinc/34/77/21/569347721.db2.gz KJSYWQVRJBIKGW-IBGZPJMESA-N 1 1 414.509 4.535 40 0 HJABMO COc1ccccc1OCc1cc([C@H]2CC[N@H+](Cc3cccc4ncccc34)C2)[nH]n1 ZINC000019704358 569347722 /nfs/dbraw/zinc/34/77/22/569347722.db2.gz KJSYWQVRJBIKGW-IBGZPJMESA-N 1 1 414.509 4.535 40 0 HJABMO COc1ccccc1OCc1cc([C@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)[nH]n1 ZINC000019704358 569347723 /nfs/dbraw/zinc/34/77/23/569347723.db2.gz KJSYWQVRJBIKGW-IBGZPJMESA-N 1 1 414.509 4.535 40 0 HJABMO CC[N@@H+](Cc1ccnn1C)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000019711995 569348291 /nfs/dbraw/zinc/34/82/91/569348291.db2.gz PEKTVYRKJCGWGR-WIOPSUGQSA-N 1 1 405.542 4.838 40 0 HJABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856871 569352068 /nfs/dbraw/zinc/35/20/68/569352068.db2.gz IEYUBCLSROTVNP-AVRDEDQJSA-N 1 1 410.558 4.817 40 0 HJABMO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)CN2CCC(c3ccccc3)CC2)c1 ZINC000141570249 569354982 /nfs/dbraw/zinc/35/49/82/569354982.db2.gz LXIZWAHJCZGRDN-OAQYLSRUSA-N 1 1 405.586 4.879 40 0 HJABMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)CN2CCC(c3ccccc3)CC2)c1 ZINC000141570249 569354983 /nfs/dbraw/zinc/35/49/83/569354983.db2.gz LXIZWAHJCZGRDN-OAQYLSRUSA-N 1 1 405.586 4.879 40 0 HJABMO CCCOc1ccccc1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044851577 520474174 /nfs/dbraw/zinc/47/41/74/520474174.db2.gz STOZYGMIZDUBAA-QFIPXVFZSA-N 1 1 412.549 4.576 40 0 HJABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936086 522495737 /nfs/dbraw/zinc/49/57/37/522495737.db2.gz YEPDFOQGCJUBHX-KNQAVFIVSA-N 1 1 400.950 4.828 40 0 HJABMO Cc1cccc(-n2cccc2C[N@@H+](CCCn2ccnc2)Cc2cccc(F)c2)n1 ZINC000043277730 524144090 /nfs/dbraw/zinc/14/40/90/524144090.db2.gz CVMMTRJPDXJNAM-UHFFFAOYSA-N 1 1 403.505 4.609 40 0 HJABMO Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044852672 525310325 /nfs/dbraw/zinc/31/03/25/525310325.db2.gz DIICXXXABWXOGN-NRFANRHFSA-N 1 1 414.549 4.751 40 0 HJABMO Fc1cccc(COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000034869137 557029071 /nfs/dbraw/zinc/02/90/71/557029071.db2.gz OEVRBXMYLVRFJJ-UHFFFAOYSA-N 1 1 420.553 4.898 40 0 HJABMO Fc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccccn2)cc1 ZINC000008436756 557789121 /nfs/dbraw/zinc/78/91/21/557789121.db2.gz SNIZHHGRFJJPFQ-UHFFFAOYSA-N 1 1 401.279 4.852 40 0 HJABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753228 558272466 /nfs/dbraw/zinc/27/24/66/558272466.db2.gz NEYYCNVZNQPTCJ-QFIPXVFZSA-N 1 1 410.537 4.714 40 0 HJABMO Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2[nH+]c3ccccn3c2NC(C)(C)C)C1 ZINC000012088145 558322770 /nfs/dbraw/zinc/32/27/70/558322770.db2.gz YMQSYAKLYFFLLS-KRWDZBQOSA-N 1 1 423.561 4.984 40 0 HJABMO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000012219482 558355062 /nfs/dbraw/zinc/35/50/62/558355062.db2.gz ZAHBYHAZLUFINS-UHFFFAOYSA-N 1 1 411.908 4.655 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000012408203 558399107 /nfs/dbraw/zinc/39/91/07/558399107.db2.gz JUNUIEZXUONSIU-TZIWHRDSSA-N 1 1 409.530 4.666 40 0 HJABMO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1C ZINC000038833611 558817086 /nfs/dbraw/zinc/81/70/86/558817086.db2.gz CPYAJSKAZKPTNL-UHFFFAOYSA-N 1 1 401.348 4.917 40 0 HJABMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038848610 558818332 /nfs/dbraw/zinc/81/83/32/558818332.db2.gz HKTFGLNPKNQILX-UHFFFAOYSA-N 1 1 421.766 4.631 40 0 HJABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)on1 ZINC000019120763 558843033 /nfs/dbraw/zinc/84/30/33/558843033.db2.gz JQFMAJPPJDUKPS-CQSZACIVSA-N 1 1 408.449 4.900 40 0 HJABMO COc1ccc(C[N@@H+](Cc2ccc(C)c(C)c2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019213911 558849489 /nfs/dbraw/zinc/84/94/89/558849489.db2.gz ZEZWBGLBMDPEFD-ZEQKJWHPSA-N 1 1 420.553 4.868 40 0 HJABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019236827 558856191 /nfs/dbraw/zinc/85/61/91/558856191.db2.gz MHGQPPKWKXRZQY-SQJMNOBHSA-N 1 1 417.528 4.912 40 0 HJABMO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019334336 558869568 /nfs/dbraw/zinc/86/95/68/558869568.db2.gz XJAJYJRANRJRSO-ACRUOGEOSA-N 1 1 400.975 4.628 40 0 HJABMO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]21 ZINC000019339235 558870838 /nfs/dbraw/zinc/87/08/38/558870838.db2.gz BYAYABHHAZSUBO-DNVJHFABSA-N 1 1 409.599 4.540 40 0 HJABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019347029 558873838 /nfs/dbraw/zinc/87/38/38/558873838.db2.gz RZKHVGLOGKBUMP-FQEVSTJZSA-N 1 1 418.541 4.665 40 0 HJABMO O=C(NC1CC[NH+](C[C@H](c2ccccc2)C2CCCCC2)CC1)c1n[nH]cc1Cl ZINC000019369236 558877767 /nfs/dbraw/zinc/87/77/67/558877767.db2.gz LPXYLNCGFLCOQI-HXUWFJFHSA-N 1 1 414.981 4.621 40 0 HJABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019376082 558882223 /nfs/dbraw/zinc/88/22/23/558882223.db2.gz BHBOGBVOYMTWLL-LJQANCHMSA-N 1 1 418.541 4.665 40 0 HJABMO O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019400283 558882896 /nfs/dbraw/zinc/88/28/96/558882896.db2.gz WZBZAVUFTCXYGC-LSQMVHIFSA-N 1 1 421.560 4.731 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000019400590 558883055 /nfs/dbraw/zinc/88/30/55/558883055.db2.gz POCFLAXVMYQDQM-GBXCKJPGSA-N 1 1 421.491 4.743 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449584 558887995 /nfs/dbraw/zinc/88/79/95/558887995.db2.gz KYSQRYIBQSQXQT-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449600 558888065 /nfs/dbraw/zinc/88/80/65/558888065.db2.gz JNQPRHOUNYYZGN-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000019568914 558928118 /nfs/dbraw/zinc/92/81/18/558928118.db2.gz IZRJIWHUCBMYPR-OAHLLOKOSA-N 1 1 405.420 4.938 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cccc(F)c1 ZINC000072330501 558934796 /nfs/dbraw/zinc/93/47/96/558934796.db2.gz VFWHJSAJTQKKPG-YKSBVNFPSA-N 1 1 421.491 4.743 40 0 HJABMO Cc1nc([C@H]2CCCC[N@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccccc1F ZINC000072345448 558941940 /nfs/dbraw/zinc/94/19/40/558941940.db2.gz QJMPRDXRGBQFPK-HSZRJFAPSA-N 1 1 418.516 4.946 40 0 HJABMO Cc1nc([C@H]2CCCC[N@H+]2CCCc2ccccc2)ncc1C(=O)N1CCCCC1 ZINC000072345530 558942011 /nfs/dbraw/zinc/94/20/11/558942011.db2.gz REKURFZSWBLZCI-HSZRJFAPSA-N 1 1 406.574 4.571 40 0 HJABMO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000072346264 558943197 /nfs/dbraw/zinc/94/31/97/558943197.db2.gz MGASDUBDTOFMPG-HXUWFJFHSA-N 1 1 413.525 4.595 40 0 HJABMO Cn1nccc1C[N@@H+]1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000072374145 558961470 /nfs/dbraw/zinc/96/14/70/558961470.db2.gz QEQSTAWDQDZKKG-OAQYLSRUSA-N 1 1 400.448 4.762 40 0 HJABMO Cn1nccc1C[N@H+]1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000072374145 558961472 /nfs/dbraw/zinc/96/14/72/558961472.db2.gz QEQSTAWDQDZKKG-OAQYLSRUSA-N 1 1 400.448 4.762 40 0 HJABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3cc(C)c(O)c(C)c3)cc2n1 ZINC000072389776 558970305 /nfs/dbraw/zinc/97/03/05/558970305.db2.gz HPNYDBYAFCACDP-QGZVFWFLSA-N 1 1 404.436 4.716 40 0 HJABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3cc(C)c(O)c(C)c3)cc2n1 ZINC000072389776 558970308 /nfs/dbraw/zinc/97/03/08/558970308.db2.gz HPNYDBYAFCACDP-QGZVFWFLSA-N 1 1 404.436 4.716 40 0 HJABMO Cc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)s1 ZINC000019711178 558973391 /nfs/dbraw/zinc/97/33/91/558973391.db2.gz IFRVDFYZJQDNAP-QFIPXVFZSA-N 1 1 424.545 4.561 40 0 HJABMO Cc1ncc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)NCc3ccc(F)cc3)c(C)n2)s1 ZINC000019711178 558973395 /nfs/dbraw/zinc/97/33/95/558973395.db2.gz IFRVDFYZJQDNAP-QFIPXVFZSA-N 1 1 424.545 4.561 40 0 HJABMO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000585099799 559024395 /nfs/dbraw/zinc/02/43/95/559024395.db2.gz BFDZBABCENNJJE-RUZDIDTESA-N 1 1 409.574 4.962 40 0 HJABMO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000096627142 559111721 /nfs/dbraw/zinc/11/17/21/559111721.db2.gz KSADTDJAKGKPIJ-KRWDZBQOSA-N 1 1 410.867 4.887 40 0 HJABMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)ccc1O ZINC000007065530 560206564 /nfs/dbraw/zinc/20/65/64/560206564.db2.gz YQITXDDUZAGSSZ-LEOXJPRUSA-N 1 1 401.934 4.923 40 0 biogenic,in-vitro HJABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2 ZINC000004866528 560614156 /nfs/dbraw/zinc/61/41/56/560614156.db2.gz GMBUNTAZLAYQLS-CBQGHPETSA-N 1 1 405.517 4.617 40 0 HJABMO C[C@@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000014608360 560847468 /nfs/dbraw/zinc/84/74/68/560847468.db2.gz QMQKTSUBINLNGL-SFHVURJKSA-N 1 1 401.485 4.785 40 0 HJABMO CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000017090459 560865294 /nfs/dbraw/zinc/86/52/94/560865294.db2.gz GAOPFNJIVKVPQA-QGZVFWFLSA-N 1 1 415.965 4.623 40 0 HJABMO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260577927 560870561 /nfs/dbraw/zinc/87/05/61/560870561.db2.gz PKURWUSWWPZKCX-MBSDFSHPSA-N 1 1 422.569 4.959 40 0 HJABMO CCc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000020192290 560885686 /nfs/dbraw/zinc/88/56/86/560885686.db2.gz NLHNAFQMEUFEJE-AREMUKBSSA-N 1 1 404.598 4.942 40 0 HJABMO CCOc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=[NH+]CCCC2)cc1 ZINC000006870361 568462912 /nfs/dbraw/zinc/46/29/12/568462912.db2.gz QARMSZOQFNBFAD-UHFFFAOYSA-N 1 1 402.441 4.958 40 0 HJABMO C[C@@H]1C[N@@H+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C[C@H](C)O1 ZINC000216839973 568468110 /nfs/dbraw/zinc/46/81/10/568468110.db2.gz RVQGUQMHWMEQJX-OKILXGFUSA-N 1 1 401.304 4.867 40 0 HJABMO C[C@@H]1C[N@H+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C[C@H](C)O1 ZINC000216839973 568468111 /nfs/dbraw/zinc/46/81/11/568468111.db2.gz RVQGUQMHWMEQJX-OKILXGFUSA-N 1 1 401.304 4.867 40 0 HJABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000219239375 568488249 /nfs/dbraw/zinc/48/82/49/568488249.db2.gz IEYUBCLSROTVNP-XMSQKQJNSA-N 1 1 410.558 4.817 40 0 HJABMO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000219238763 568488402 /nfs/dbraw/zinc/48/84/02/568488402.db2.gz PKURWUSWWPZKCX-JPYJTQIMSA-N 1 1 422.569 4.959 40 0 HJABMO Fc1ccccc1Nc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000057774619 568497434 /nfs/dbraw/zinc/49/74/34/568497434.db2.gz JXDIZJUAQDNVKK-UHFFFAOYSA-N 1 1 411.484 4.980 40 0 HJABMO Fc1ccccc1Nc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000057774619 568497435 /nfs/dbraw/zinc/49/74/35/568497435.db2.gz JXDIZJUAQDNVKK-UHFFFAOYSA-N 1 1 411.484 4.980 40 0 HJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000022931898 568500763 /nfs/dbraw/zinc/50/07/63/568500763.db2.gz NNBDWDGNSHBVGR-QHCPKHFHSA-N 1 1 423.601 4.898 40 0 HJABMO CC(C)CSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000223285298 568544071 /nfs/dbraw/zinc/54/40/71/568544071.db2.gz ZXBBEWJFRCQPFW-OAHLLOKOSA-N 1 1 404.605 4.770 40 0 HJABMO Cc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000224160011 568571968 /nfs/dbraw/zinc/57/19/68/568571968.db2.gz NFBGSJSNVXREAX-QGZVFWFLSA-N 1 1 400.950 4.689 40 0 HJABMO Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)s2)cc1 ZINC000224727033 568593817 /nfs/dbraw/zinc/59/38/17/568593817.db2.gz UVHUXBYOZKLUNR-GOSISDBHSA-N 1 1 410.518 4.503 40 0 HJABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(Br)cc2F)cc1 ZINC000225457787 568639819 /nfs/dbraw/zinc/63/98/19/568639819.db2.gz HNEXDMNVBJXJGI-UHFFFAOYSA-N 1 1 419.323 4.569 40 0 HJABMO CCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812500 568739953 /nfs/dbraw/zinc/73/99/53/568739953.db2.gz DGVTZKMVEXOKIA-UPUUWEMXSA-N 1 1 416.606 4.967 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260818241 568740568 /nfs/dbraw/zinc/74/05/68/568740568.db2.gz ZAGTXMRRVPGXPW-VIHQBZHPSA-N 1 1 402.579 4.721 40 0 HJABMO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816968 568740601 /nfs/dbraw/zinc/74/06/01/568740601.db2.gz SQVMYWLVQCQDPP-RDPSFJRHSA-N 1 1 404.595 4.967 40 0 HJABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 ZINC000257210101 568779134 /nfs/dbraw/zinc/77/91/34/568779134.db2.gz BTEJJIOTVYGXDO-HJOGWXRNSA-N 1 1 422.569 4.920 40 0 HJABMO CC(C)n1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@H]2Cc1ccccc1 ZINC000257313616 568808435 /nfs/dbraw/zinc/80/84/35/568808435.db2.gz UTJCESUCDICFCU-TYUWDEHNSA-N 1 1 420.601 4.553 40 0 HJABMO COc1ccc(Nc2cc(C)nc([C@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319431 568810213 /nfs/dbraw/zinc/81/02/13/568810213.db2.gz VSNFKOHYEHFZON-IBGZPJMESA-N 1 1 417.557 4.593 40 0 HJABMO Cc1ncc(C[N@H+]2CC[C@@H](c3cc(COc4cccc(C(F)(F)F)c4)[nH]n3)C2)s1 ZINC000257321912 568811071 /nfs/dbraw/zinc/81/10/71/568811071.db2.gz WDVGHAOBAOBDRU-CQSZACIVSA-N 1 1 422.476 4.762 40 0 HJABMO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(COc4cccc(C(F)(F)F)c4)n[nH]3)C2)s1 ZINC000257321912 568811072 /nfs/dbraw/zinc/81/10/72/568811072.db2.gz WDVGHAOBAOBDRU-CQSZACIVSA-N 1 1 422.476 4.762 40 0 HJABMO Cc1ncc(C[N@H+]2CC[C@@H](c3cc(COc4cccc(C(F)(F)F)c4)n[nH]3)C2)s1 ZINC000257321912 568811074 /nfs/dbraw/zinc/81/10/74/568811074.db2.gz WDVGHAOBAOBDRU-CQSZACIVSA-N 1 1 422.476 4.762 40 0 HJABMO COc1ccc(-c2cccc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257335460 568814866 /nfs/dbraw/zinc/81/48/66/568814866.db2.gz YKFYGVWHRQWPQJ-SANMLTNESA-N 1 1 411.505 4.879 40 0 HJABMO COc1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257335460 568814869 /nfs/dbraw/zinc/81/48/69/568814869.db2.gz YKFYGVWHRQWPQJ-SANMLTNESA-N 1 1 411.505 4.879 40 0 HJABMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000248148383 569316496 /nfs/dbraw/zinc/31/64/96/569316496.db2.gz UNYKOJHHYVKMAP-UTKZUKDTSA-N 1 1 401.553 4.508 40 0 HJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+](Cc4ccncc4C)C3)cc2N1 ZINC000253602796 569318374 /nfs/dbraw/zinc/31/83/74/569318374.db2.gz RWCYJNURQPBREZ-SCTDSRPQSA-N 1 1 407.484 4.664 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000012183392 569344669 /nfs/dbraw/zinc/34/46/69/569344669.db2.gz UXJCZIUQOCKKTN-FXAWDEMLSA-N 1 1 419.541 4.681 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000012183392 569344670 /nfs/dbraw/zinc/34/46/70/569344670.db2.gz UXJCZIUQOCKKTN-FXAWDEMLSA-N 1 1 419.541 4.681 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000019565055 569345670 /nfs/dbraw/zinc/34/56/70/569345670.db2.gz KRJQTASYDODNQU-AUSIDOKSSA-N 1 1 421.566 4.535 40 0 HJABMO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(-c4ccccn4)cc3)n2)nc1 ZINC000049155425 291279998 /nfs/dbraw/zinc/27/99/98/291279998.db2.gz WMGYALSBKJMRMU-NRFANRHFSA-N 1 1 401.445 4.670 40 0 biogenic,in-vitro HJABMO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(-c4ccccn4)cc3)n2)nc1 ZINC000049155425 291280000 /nfs/dbraw/zinc/28/00/00/291280000.db2.gz WMGYALSBKJMRMU-NRFANRHFSA-N 1 1 401.445 4.670 40 0 biogenic,in-vitro HJABMO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000072358519 519735304 /nfs/dbraw/zinc/73/53/04/519735304.db2.gz GZYCWOMNHLCFQU-JOCHJYFZSA-N 1 1 400.526 4.524 40 0 HJABMO Cc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)C[N@H+](Cc1ccccc1)CC3 ZINC000019819707 558290134 /nfs/dbraw/zinc/29/01/34/558290134.db2.gz MNZCYCMKALVCRI-UHFFFAOYSA-N 1 1 419.575 4.977 40 0 HJABMO Cc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)C[N@@H+](Cc1ccccc1)CC3 ZINC000019819707 558290136 /nfs/dbraw/zinc/29/01/36/558290136.db2.gz MNZCYCMKALVCRI-UHFFFAOYSA-N 1 1 419.575 4.977 40 0 HJABMO COc1cc2c(cc1OC)[C@H](c1ccncc1)[N@H+](Cc1cccc(C)c1OC)CC2 ZINC000012240827 558360492 /nfs/dbraw/zinc/36/04/92/558360492.db2.gz LDFBPGOZGXZKQX-DEOSSOPVSA-N 1 1 404.510 4.564 40 0 HJABMO COc1cc2c(cc1OC)[C@H](c1ccncc1)[N@@H+](Cc1cccc(C)c1OC)CC2 ZINC000012240827 558360495 /nfs/dbraw/zinc/36/04/95/558360495.db2.gz LDFBPGOZGXZKQX-DEOSSOPVSA-N 1 1 404.510 4.564 40 0 HJABMO O=C(c1cccc(OCc2ccccc2Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022258562 558474629 /nfs/dbraw/zinc/47/46/29/558474629.db2.gz HZGVAEJPQCDBMJ-UHFFFAOYSA-N 1 1 420.940 4.877 40 0 HJABMO CCOc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000013582387 558545132 /nfs/dbraw/zinc/54/51/32/558545132.db2.gz GWCIQKNBZVDMEW-UHFFFAOYSA-N 1 1 414.549 4.941 40 0 HJABMO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030943373 558745980 /nfs/dbraw/zinc/74/59/80/558745980.db2.gz YRRDLXLCYHIDRG-HXUWFJFHSA-N 1 1 412.505 4.633 40 0 HJABMO CCOc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000033714161 558771050 /nfs/dbraw/zinc/77/10/50/558771050.db2.gz DXSWMNINNXBTCY-TWRVUUBYSA-N 1 1 411.615 4.677 40 0 HJABMO COc1ccccc1CN(C)C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000038755239 558814412 /nfs/dbraw/zinc/81/44/12/558814412.db2.gz JHSMPOLSAOSVFL-UHFFFAOYSA-N 1 1 400.522 4.526 40 0 HJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c(OC)c1 ZINC000038834657 558817837 /nfs/dbraw/zinc/81/78/37/558817837.db2.gz XXLLIDQYFZBXBA-UHFFFAOYSA-N 1 1 423.340 4.861 40 0 HJABMO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1C ZINC000038835204 558817973 /nfs/dbraw/zinc/81/79/73/558817973.db2.gz JVSPOPUPNGFQQE-UHFFFAOYSA-N 1 1 401.348 4.917 40 0 HJABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000019081943 558839978 /nfs/dbraw/zinc/83/99/78/558839978.db2.gz GOQUGZPRCNEZDO-HYBUGGRVSA-N 1 1 416.569 4.745 40 0 HJABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000019081941 558840029 /nfs/dbraw/zinc/84/00/29/558840029.db2.gz GOQUGZPRCNEZDO-YKSBVNFPSA-N 1 1 416.569 4.745 40 0 HJABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019236825 558855874 /nfs/dbraw/zinc/85/58/74/558855874.db2.gz MHGQPPKWKXRZQY-PXDATVDWSA-N 1 1 417.528 4.912 40 0 HJABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019236840 558856110 /nfs/dbraw/zinc/85/61/10/558856110.db2.gz VCDXCLFDGWAWMW-PXDATVDWSA-N 1 1 417.528 4.912 40 0 HJABMO COc1cccc([C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3C)c2)c2ccccc2)c1 ZINC000019288208 558861249 /nfs/dbraw/zinc/86/12/49/558861249.db2.gz LEFDKSJCMNSGIS-VWLOTQADSA-N 1 1 411.505 4.768 40 0 HJABMO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000019400794 558883439 /nfs/dbraw/zinc/88/34/39/558883439.db2.gz DMGCMOMRERMYSQ-OAQYLSRUSA-N 1 1 418.368 4.868 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449574 558888012 /nfs/dbraw/zinc/88/80/12/558888012.db2.gz SWKAUBCPIPOALM-HHHXNRCGSA-N 1 1 413.565 4.708 40 0 HJABMO CC(C)n1cc(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2ccccc21 ZINC000019454817 558891537 /nfs/dbraw/zinc/89/15/37/558891537.db2.gz VYXMWUNUNVXWOY-BKMJKUGQSA-N 1 1 416.569 4.646 40 0 HJABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)no2)CC1 ZINC000019496760 558895760 /nfs/dbraw/zinc/89/57/60/558895760.db2.gz AXTQJAJKVWKLGU-GOSISDBHSA-N 1 1 401.938 4.580 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)c(OC)c1 ZINC000019564336 558924516 /nfs/dbraw/zinc/92/45/16/558924516.db2.gz QDCHAYJSGDNBIY-AWEZNQCLSA-N 1 1 417.456 4.866 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000072330402 558934515 /nfs/dbraw/zinc/93/45/15/558934515.db2.gz MIDQHRPLLIVPRJ-GCJKJVERSA-N 1 1 409.530 4.666 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330413 558934544 /nfs/dbraw/zinc/93/45/44/558934544.db2.gz PAWMKIITWCDBRX-XXBNENTESA-N 1 1 421.566 4.535 40 0 HJABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000072330443 558934728 /nfs/dbraw/zinc/93/47/28/558934728.db2.gz GVMOOXRARZPCAJ-OFVILXPXSA-N 1 1 409.549 4.871 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330444 558934857 /nfs/dbraw/zinc/93/48/57/558934857.db2.gz ABLIGMZVMXTMTD-NVQXNPDNSA-N 1 1 421.585 4.740 40 0 HJABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000072352447 558948755 /nfs/dbraw/zinc/94/87/55/558948755.db2.gz YYQLRBMNZHLZGM-KRWDZBQOSA-N 1 1 401.535 4.799 40 0 HJABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1CO ZINC000072353205 558950000 /nfs/dbraw/zinc/95/00/00/558950000.db2.gz SBXGEVZEQWFCDI-QHCPKHFHSA-N 1 1 418.541 4.757 40 0 HJABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370312 558956768 /nfs/dbraw/zinc/95/67/68/558956768.db2.gz TVADSVYPSZBPQB-KRWDZBQOSA-N 1 1 410.587 4.602 40 0 HJABMO CC(C)c1ncc(C[N@H+]2CCCCC[C@H]2Cc2c3ccccc3sc2C(N)=O)cn1 ZINC000072370686 558957212 /nfs/dbraw/zinc/95/72/12/558957212.db2.gz ODSUCYABPLGIQE-SFHVURJKSA-N 1 1 422.598 4.901 40 0 HJABMO COCc1cc(C[N@H+]2CCC[C@@H]2c2ccc(-c3cnn(C)c3)cn2)ccc1OC(C)C ZINC000072374116 558961500 /nfs/dbraw/zinc/96/15/00/558961500.db2.gz FYSDGIAADJVPTM-XMMPIXPASA-N 1 1 420.557 4.753 40 0 HJABMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c(C)c1C ZINC000072375803 558964864 /nfs/dbraw/zinc/96/48/64/558964864.db2.gz KOENEJMFAVVVIA-OAQYLSRUSA-N 1 1 403.530 4.886 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072376049 558965179 /nfs/dbraw/zinc/96/51/79/558965179.db2.gz RGOGEKNNPFBWHA-OAQYLSRUSA-N 1 1 415.541 4.867 40 0 HJABMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)c2cc(F)ccc21 ZINC000072376415 558965602 /nfs/dbraw/zinc/96/56/02/558965602.db2.gz JXBGHCQLIXEVGU-OAQYLSRUSA-N 1 1 402.477 4.583 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cncc(Nc3ccccn3)n2)c2cc(F)ccc21 ZINC000072376415 558965605 /nfs/dbraw/zinc/96/56/05/558965605.db2.gz JXBGHCQLIXEVGU-OAQYLSRUSA-N 1 1 402.477 4.583 40 0 HJABMO COc1ccc(OC)c(C[N@@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1 ZINC000072395088 558973821 /nfs/dbraw/zinc/97/38/21/558973821.db2.gz LRKQGXPLCYJSSX-GBXCKJPGSA-N 1 1 421.541 4.809 40 0 HJABMO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@@H+](C)C[C@@H](C)c2ccccc2)C1 ZINC000072395284 558974147 /nfs/dbraw/zinc/97/41/47/558974147.db2.gz PAQLLIFNTBUBHQ-CTNGQTDRSA-N 1 1 418.585 4.914 40 0 HJABMO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000585099800 559024401 /nfs/dbraw/zinc/02/44/01/559024401.db2.gz BFDZBABCENNJJE-VWLOTQADSA-N 1 1 409.574 4.962 40 0 HJABMO CCc1nc2c(C)c(C)ccc2c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000020081408 560880393 /nfs/dbraw/zinc/88/03/93/560880393.db2.gz NKFUZBZGWLXQLT-UHFFFAOYSA-N 1 1 401.554 4.680 40 0 HJABMO CCOc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000216471616 568465576 /nfs/dbraw/zinc/46/55/76/568465576.db2.gz HHWYUWLANUBSKK-HXUWFJFHSA-N 1 1 424.585 4.688 40 0 HJABMO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000222773387 568526080 /nfs/dbraw/zinc/52/60/80/568526080.db2.gz WAOYNNNKGNYBLF-UHFFFAOYSA-N 1 1 415.430 4.997 40 0 HJABMO CCCSc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)s1 ZINC000223251355 568542499 /nfs/dbraw/zinc/54/24/99/568542499.db2.gz PEIQYYNXLXWIOZ-AWEZNQCLSA-N 1 1 410.996 4.544 40 0 HJABMO CCCSc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)s1 ZINC000223251355 568542501 /nfs/dbraw/zinc/54/25/01/568542501.db2.gz PEIQYYNXLXWIOZ-AWEZNQCLSA-N 1 1 410.996 4.544 40 0 HJABMO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000224052314 568567982 /nfs/dbraw/zinc/56/79/82/568567982.db2.gz DHJOJVWPVPBQGG-UHFFFAOYSA-N 1 1 418.940 4.503 40 0 HJABMO CC(C)Sc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)s1 ZINC000224605551 568587681 /nfs/dbraw/zinc/58/76/81/568587681.db2.gz DGMNOTDHMQDKLN-AWEZNQCLSA-N 1 1 410.996 4.543 40 0 HJABMO CC(C)Sc1nnc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)s1 ZINC000224605551 568587683 /nfs/dbraw/zinc/58/76/83/568587683.db2.gz DGMNOTDHMQDKLN-AWEZNQCLSA-N 1 1 410.996 4.543 40 0 HJABMO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225576256 568653302 /nfs/dbraw/zinc/65/33/02/568653302.db2.gz PVRBBWMMQOQTPH-UHFFFAOYSA-N 1 1 420.981 4.741 40 0 HJABMO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225585290 568654424 /nfs/dbraw/zinc/65/44/24/568654424.db2.gz MJRSGJIONDREMK-UHFFFAOYSA-N 1 1 418.940 4.795 40 0 HJABMO COC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCCC1 ZINC000225630766 568658524 /nfs/dbraw/zinc/65/85/24/568658524.db2.gz LAIWDOQICIXCTR-BGYRXZFFSA-N 1 1 402.579 4.721 40 0 HJABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225640962 568659169 /nfs/dbraw/zinc/65/91/69/568659169.db2.gz PRKKASLBYUFVRH-VIHQBZHPSA-N 1 1 402.579 4.864 40 0 HJABMO COC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 ZINC000225640512 568659202 /nfs/dbraw/zinc/65/92/02/568659202.db2.gz RSVIQMZCZKDQAI-UDYWXPHVSA-N 1 1 402.579 4.577 40 0 HJABMO CCCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCC1 ZINC000225655212 568660531 /nfs/dbraw/zinc/66/05/31/568660531.db2.gz MGECJCHULUSPJF-HXUWFJFHSA-N 1 1 402.579 4.865 40 0 HJABMO CCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812572 568739970 /nfs/dbraw/zinc/73/99/70/568739970.db2.gz GWWAIPLRLWPOJE-DCLXLUIPSA-N 1 1 402.579 4.721 40 0 HJABMO CN(C(=O)C[N@H+]1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)C1CCCCC1 ZINC000257218992 568781624 /nfs/dbraw/zinc/78/16/24/568781624.db2.gz DFEOHUWDHRGJKZ-JOCHJYFZSA-N 1 1 423.576 4.782 40 0 HJABMO COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cscn4)CC3)CO[C@H]21 ZINC000257272110 568796194 /nfs/dbraw/zinc/79/61/94/568796194.db2.gz NBCKUGGFDHSGHC-PZJWPPBQSA-N 1 1 414.571 4.683 40 0 HJABMO Cc1nc(Cc2ccccc2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257286692 568800368 /nfs/dbraw/zinc/80/03/68/568800368.db2.gz PMPGSEWXSGVSGU-CMCWBKRRSA-N 1 1 409.599 4.520 40 0 HJABMO CC(C)n1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 ZINC000306127447 568890191 /nfs/dbraw/zinc/89/01/91/568890191.db2.gz FYTKSXZBOUFSAW-LJQANCHMSA-N 1 1 406.559 4.615 40 0 HJABMO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000006595702 568937043 /nfs/dbraw/zinc/93/70/43/568937043.db2.gz AVGUOYKVSMTJDN-VWLOTQADSA-N 1 1 420.597 4.779 40 0 HJABMO CC[C@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000328993210 568971844 /nfs/dbraw/zinc/97/18/44/568971844.db2.gz IZYJXKBAEHDUEB-ZDUSSCGKSA-N 1 1 401.352 4.890 40 0 HJABMO CC[C@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C2CC2)n1 ZINC000328993210 568971845 /nfs/dbraw/zinc/97/18/45/568971845.db2.gz IZYJXKBAEHDUEB-ZDUSSCGKSA-N 1 1 401.352 4.890 40 0 HJABMO CC(C)c1nc(NCc2ccccc2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000329015931 568972877 /nfs/dbraw/zinc/97/28/77/568972877.db2.gz NEBWKVGRMFEKQV-GOSISDBHSA-N 1 1 402.542 4.828 40 0 HJABMO Cc1nc(NCc2ccccc2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329065780 568975262 /nfs/dbraw/zinc/97/52/62/568975262.db2.gz XURMKUUTSKITGF-UHFFFAOYSA-N 1 1 414.431 4.858 40 0 HJABMO CCc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054350333 569027738 /nfs/dbraw/zinc/02/77/38/569027738.db2.gz UOVPGXZXADRIML-UHFFFAOYSA-N 1 1 405.567 4.885 40 0 HJABMO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199092 569059044 /nfs/dbraw/zinc/05/90/44/569059044.db2.gz SCPFIOQUNAJIQW-MZAVPQGISA-N 1 1 417.597 4.912 40 0 HJABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCC[N@H+]3C[C@H]3CCOC3)nn21 ZINC000247663417 569315517 /nfs/dbraw/zinc/31/55/17/569315517.db2.gz UQQTWWUFYFFZMD-CZUORRHYSA-N 1 1 422.476 4.650 40 0 HJABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019450622 569345381 /nfs/dbraw/zinc/34/53/81/569345381.db2.gz DNRLMGSKDNJJNY-ZJSXRUAMSA-N 1 1 423.601 4.984 40 0 HJABMO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2C[N@H+](CCc3ccccc3)CCO2)c1 ZINC000019693158 569346366 /nfs/dbraw/zinc/34/63/66/569346366.db2.gz UPNNJOSHVPKTOH-FQEVSTJZSA-N 1 1 413.443 4.778 40 0 HJABMO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2C[N@@H+](CCc3ccccc3)CCO2)c1 ZINC000019693158 569346367 /nfs/dbraw/zinc/34/63/67/569346367.db2.gz UPNNJOSHVPKTOH-FQEVSTJZSA-N 1 1 413.443 4.778 40 0 HJABMO Fc1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4ccc5ncccc5c4)C3)n[nH]2)cc1 ZINC000019704545 569347651 /nfs/dbraw/zinc/34/76/51/569347651.db2.gz VEEMCFDGLUKKES-LJQANCHMSA-N 1 1 402.473 4.666 40 0 HJABMO Fc1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4ccc5ncccc5c4)C3)[nH]n2)cc1 ZINC000019704545 569347652 /nfs/dbraw/zinc/34/76/52/569347652.db2.gz VEEMCFDGLUKKES-LJQANCHMSA-N 1 1 402.473 4.666 40 0 HJABMO Fc1ccc(OCc2cc([C@@H]3CC[N@@H+](Cc4ccc5ncccc5c4)C3)[nH]n2)cc1 ZINC000019704545 569347653 /nfs/dbraw/zinc/34/76/53/569347653.db2.gz VEEMCFDGLUKKES-LJQANCHMSA-N 1 1 402.473 4.666 40 0 HJABMO Cc1nc([C@]2(O)CCC[N@H+](CC(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019705446 569347948 /nfs/dbraw/zinc/34/79/48/569347948.db2.gz SUOYXELUEFGFAM-QFIPXVFZSA-N 1 1 424.557 4.681 40 0 HJABMO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044855363 569351950 /nfs/dbraw/zinc/35/19/50/569351950.db2.gz DXYWFGYPDCIKGT-UGKGYDQZSA-N 1 1 410.533 4.765 40 0 HJABMO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020503437 575369917 /nfs/dbraw/zinc/36/99/17/575369917.db2.gz QYRWDYKYRUSFSO-PZJWPPBQSA-N 1 1 402.563 4.857 40 0 biogenic,in-vitro HJABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(-c5ccccn5)cc4)C3)o2)cc1 ZINC000049170166 291277124 /nfs/dbraw/zinc/27/71/24/291277124.db2.gz RVSUKVKZRLGCQK-NRFANRHFSA-N 1 1 412.493 4.797 40 0 biogenic,in-vitro HJABMO CCOc1ccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044851380 520947810 /nfs/dbraw/zinc/94/78/10/520947810.db2.gz CWKGPUWWWGWFCJ-NRFANRHFSA-N 1 1 414.977 4.700 40 0 HJABMO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044920057 521487013 /nfs/dbraw/zinc/48/70/13/521487013.db2.gz OUESKHCNFNTIKP-UHFFFAOYSA-N 1 1 421.368 4.921 40 0 HJABMO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](CCCn2ccnc2)Cc2ccc(F)cc2)c1 ZINC000043277685 524211252 /nfs/dbraw/zinc/21/12/52/524211252.db2.gz HWYCLVLJWIXDTD-UHFFFAOYSA-N 1 1 417.532 4.917 40 0 HJABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000072346262 527562298 /nfs/dbraw/zinc/56/22/98/527562298.db2.gz XKDBJHDMBWXGLR-LJQANCHMSA-N 1 1 401.489 4.726 40 0 HJABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)CC1 ZINC000408573172 557469536 /nfs/dbraw/zinc/46/95/36/557469536.db2.gz IRDSFIKWAZVJEB-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743118 558263610 /nfs/dbraw/zinc/26/36/10/558263610.db2.gz UTNGFMUNJHAGQH-QFIPXVFZSA-N 1 1 422.548 4.873 40 0 HJABMO Cc1nc([C@H]2CCC[N@H+]2CCCc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019753521 558272853 /nfs/dbraw/zinc/27/28/53/558272853.db2.gz XWWMXFKFGWDFJF-HSZRJFAPSA-N 1 1 400.526 4.807 40 0 HJABMO COc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1 ZINC000012089081 558323650 /nfs/dbraw/zinc/32/36/50/558323650.db2.gz SDJJTVJNJWBLPG-APBVPVKBSA-N 1 1 414.549 4.877 40 0 HJABMO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1O ZINC000012185743 558345153 /nfs/dbraw/zinc/34/51/53/558345153.db2.gz NGCRMPOKGTZENM-IBGZPJMESA-N 1 1 422.481 4.902 40 0 HJABMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1O ZINC000012185743 558345154 /nfs/dbraw/zinc/34/51/54/558345154.db2.gz NGCRMPOKGTZENM-IBGZPJMESA-N 1 1 422.481 4.902 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000012408207 558399179 /nfs/dbraw/zinc/39/91/79/558399179.db2.gz RRXVUHBFJQNFRY-TZIWHRDSSA-N 1 1 409.530 4.666 40 0 HJABMO COc1cc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(OC)cc1Cl ZINC000030942771 558745891 /nfs/dbraw/zinc/74/58/91/558745891.db2.gz FTCSHUHMYMGXQE-HNNXBMFYSA-N 1 1 402.922 4.841 40 0 HJABMO COc1ccc([C@@H]2Cc3cc(OC)c(OC)cc3[C@@H](c3ccccc3)[NH2+]2)cc1OC ZINC000031795243 558752365 /nfs/dbraw/zinc/75/23/65/558752365.db2.gz CKZCETURDAJQBM-NBGIEHNGSA-N 1 1 405.494 4.697 40 0 HJABMO COc1ccc([C@H]2Cc3cc(OC)c(OC)cc3[C@H](c3ccccc3)[NH2+]2)cc1OC ZINC000031795257 558752397 /nfs/dbraw/zinc/75/23/97/558752397.db2.gz CKZCETURDAJQBM-NLFFAJNJSA-N 1 1 405.494 4.697 40 0 HJABMO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038833483 558817073 /nfs/dbraw/zinc/81/70/73/558817073.db2.gz XUXJFQGVMNPPDJ-UHFFFAOYSA-N 1 1 401.348 4.917 40 0 HJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1OC ZINC000038834965 558817822 /nfs/dbraw/zinc/81/78/22/558817822.db2.gz NZWGXAMDRPZKTC-UHFFFAOYSA-N 1 1 423.340 4.861 40 0 HJABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019236812 558855892 /nfs/dbraw/zinc/85/58/92/558855892.db2.gz XOXJGZHJMGRMII-WRALFONMSA-N 1 1 403.570 4.929 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccs2)C1 ZINC000019449619 558888244 /nfs/dbraw/zinc/88/82/44/558888244.db2.gz JCJHGZRDGGXCMW-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+](Cc4ccncc4C)C3)cc2N1 ZINC000019500879 558898742 /nfs/dbraw/zinc/89/87/42/558898742.db2.gz RWCYJNURQPBREZ-ZIFCJYIRSA-N 1 1 407.484 4.664 40 0 HJABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019522018 558903170 /nfs/dbraw/zinc/90/31/70/558903170.db2.gz XUTPVSYHSFFMKW-AWEZNQCLSA-N 1 1 404.436 4.887 40 0 HJABMO CCOc1ccc(C[N@@H+](Cc2ccc(F)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019533173 558912976 /nfs/dbraw/zinc/91/29/76/558912976.db2.gz JXPFKQKYDLYRDO-PXDATVDWSA-N 1 1 424.516 4.781 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000019568917 558928102 /nfs/dbraw/zinc/92/81/02/558928102.db2.gz IZRJIWHUCBMYPR-HNNXBMFYSA-N 1 1 405.420 4.938 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330408 558934540 /nfs/dbraw/zinc/93/45/40/558934540.db2.gz BFNRFIIFQPRIMC-CVDCTZTESA-N 1 1 421.566 4.535 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000072341441 558939720 /nfs/dbraw/zinc/93/97/20/558939720.db2.gz MHLJWTHDLJMNJQ-IRLDBZIGSA-N 1 1 421.566 4.535 40 0 HJABMO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000072346265 558943179 /nfs/dbraw/zinc/94/31/79/558943179.db2.gz MGASDUBDTOFMPG-FQEVSTJZSA-N 1 1 413.525 4.595 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000072358132 558953873 /nfs/dbraw/zinc/95/38/73/558953873.db2.gz DVAYMWBIQPAICT-OAQYLSRUSA-N 1 1 400.448 4.762 40 0 HJABMO CC(C)n1c(C[NH+]2CCC(c3ccc(-c4cnn(C)c4)cn3)CC2)nc2ccccc21 ZINC000019689122 558958602 /nfs/dbraw/zinc/95/86/02/558958602.db2.gz XPMQWGQIPLGHTO-UHFFFAOYSA-N 1 1 414.557 4.792 40 0 HJABMO COc1ccc(CCC(=O)N2CCC[C@H]2c2cc(Nc3nccs3)cc(C)[nH+]2)cc1 ZINC000072372540 558960171 /nfs/dbraw/zinc/96/01/71/558960171.db2.gz CGLZGLGHRIRPGX-NRFANRHFSA-N 1 1 422.554 4.895 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncccn3)n2)c2cc(F)ccc21 ZINC000072375752 558964611 /nfs/dbraw/zinc/96/46/11/558964611.db2.gz IYRWMIWPMHDKCN-NRFANRHFSA-N 1 1 402.477 4.583 40 0 HJABMO CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H]3c3cncc(Nc4ccccn4)n3)ccc2O1 ZINC000072376397 558965569 /nfs/dbraw/zinc/96/55/69/558965569.db2.gz WBYJBXVYAPNIRI-HXUWFJFHSA-N 1 1 401.514 4.666 40 0 HJABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@@H]3c3cncc(Nc4ccccn4)n3)ccc2O1 ZINC000072376397 558965571 /nfs/dbraw/zinc/96/55/71/558965571.db2.gz WBYJBXVYAPNIRI-HXUWFJFHSA-N 1 1 401.514 4.666 40 0 HJABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)CCC4)CC2)N1Cc1ccc(F)cc1 ZINC000585100760 559023758 /nfs/dbraw/zinc/02/37/58/559023758.db2.gz VRWXQWLPYZHLJJ-AREMUKBSSA-N 1 1 406.545 4.862 40 0 HJABMO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCC[N@H+]2C[C@H]2CCCO2)CC1 ZINC000585100116 559023803 /nfs/dbraw/zinc/02/38/03/559023803.db2.gz FZISPMPHDNIOLO-ATIYNZHBSA-N 1 1 423.601 4.517 40 0 HJABMO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)[N@@H+]2C[C@H](C)CC[C@@H]12 ZINC000118915636 559205527 /nfs/dbraw/zinc/20/55/27/559205527.db2.gz AANKDJLVHZQCFG-IAGDTALCSA-N 1 1 413.646 4.626 40 0 in-vitro HJABMO OCc1ccccc1C[N@@H+](Cc1ccccc1)Cc1cccc(OC[C@@H]2CCCO2)c1 ZINC000257339335 559283480 /nfs/dbraw/zinc/28/34/80/559283480.db2.gz ZBHAIMAPXREVAP-MHZLTWQESA-N 1 1 417.549 4.939 40 0 HJABMO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257222292 559283634 /nfs/dbraw/zinc/28/36/34/559283634.db2.gz DSSITBDOODWRMY-RSXGOPAZSA-N 1 1 422.569 4.589 40 0 HJABMO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cc1 ZINC000257222292 559283636 /nfs/dbraw/zinc/28/36/36/559283636.db2.gz DSSITBDOODWRMY-RSXGOPAZSA-N 1 1 422.569 4.589 40 0 HJABMO Fc1ccccc1Cc1cccc([C@@H]2C[N@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257294526 559285778 /nfs/dbraw/zinc/28/57/78/559285778.db2.gz QUOBHGGPTDYLJI-SANMLTNESA-N 1 1 413.496 4.933 40 0 HJABMO Fc1ccccc1Cc1cccc([C@@H]2C[N@@H+](Cc3cccc4ncccc34)CCO2)n1 ZINC000257294526 559285779 /nfs/dbraw/zinc/28/57/79/559285779.db2.gz QUOBHGGPTDYLJI-SANMLTNESA-N 1 1 413.496 4.933 40 0 HJABMO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]54C)[C@H]3C[N@H+]2C1 ZINC000108235054 560898526 /nfs/dbraw/zinc/89/85/26/560898526.db2.gz NEMWYOKGHGSVSC-GKRMQQBDSA-N 1 1 415.662 4.563 40 0 biogenic HJABMO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 ZINC000219238672 568488400 /nfs/dbraw/zinc/48/84/00/568488400.db2.gz RLBRFBLRJFYDAH-JPYJTQIMSA-N 1 1 422.569 4.959 40 0 HJABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1C ZINC000223948982 568564176 /nfs/dbraw/zinc/56/41/76/568564176.db2.gz RISLUIOZAFFIMJ-UHFFFAOYSA-N 1 1 418.940 4.503 40 0 HJABMO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000223979436 568565144 /nfs/dbraw/zinc/56/51/44/568565144.db2.gz LVDWXZUEYWVCPH-UHFFFAOYSA-N 1 1 414.549 4.671 40 0 HJABMO COCc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)c1 ZINC000224541764 568584261 /nfs/dbraw/zinc/58/42/61/568584261.db2.gz KZDXCNFVINYKAY-UHFFFAOYSA-N 1 1 407.341 4.991 40 0 HJABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(Br)c(C)c2)cc1 ZINC000225457077 568639684 /nfs/dbraw/zinc/63/96/84/568639684.db2.gz RFPGFQUFEVIRDS-UHFFFAOYSA-N 1 1 415.360 4.738 40 0 HJABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225575323 568653047 /nfs/dbraw/zinc/65/30/47/568653047.db2.gz NPMIWHVBUYMARE-UHFFFAOYSA-N 1 1 418.896 4.507 40 0 HJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1Cl ZINC000225577751 568653593 /nfs/dbraw/zinc/65/35/93/568653593.db2.gz FWRPUUVRDFMNNA-UHFFFAOYSA-N 1 1 411.304 4.992 40 0 HJABMO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260814621 568740112 /nfs/dbraw/zinc/74/01/12/568740112.db2.gz LNRVPQDYNMRIBY-CYFREDJKSA-N 1 1 402.579 4.721 40 0 HJABMO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260814740 568740125 /nfs/dbraw/zinc/74/01/25/568740125.db2.gz MYVNTALTXNSVKF-NTKDMRAZSA-N 1 1 402.579 4.864 40 0 HJABMO CN1C(=O)CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@H]21 ZINC000257282459 568799058 /nfs/dbraw/zinc/79/90/58/568799058.db2.gz OTVNNLYKYVESCC-SIKLNZKXSA-N 1 1 412.961 4.752 40 0 HJABMO CCCOc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 ZINC000257310765 568807583 /nfs/dbraw/zinc/80/75/83/568807583.db2.gz UGLNYQQGGCSYEI-NRFANRHFSA-N 1 1 424.589 4.594 40 0 HJABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(COc4cccc(C(F)(F)F)c4)[nH]n3)C2)s1 ZINC000257321911 568811020 /nfs/dbraw/zinc/81/10/20/568811020.db2.gz WDVGHAOBAOBDRU-AWEZNQCLSA-N 1 1 422.476 4.762 40 0 HJABMO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(COc4cccc(C(F)(F)F)c4)n[nH]3)C2)s1 ZINC000257321911 568811022 /nfs/dbraw/zinc/81/10/22/568811022.db2.gz WDVGHAOBAOBDRU-AWEZNQCLSA-N 1 1 422.476 4.762 40 0 HJABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(COc4cccc(C(F)(F)F)c4)n[nH]3)C2)s1 ZINC000257321911 568811025 /nfs/dbraw/zinc/81/10/25/568811025.db2.gz WDVGHAOBAOBDRU-AWEZNQCLSA-N 1 1 422.476 4.762 40 0 HJABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000328993208 568971822 /nfs/dbraw/zinc/97/18/22/568971822.db2.gz IZYJXKBAEHDUEB-CYBMUJFWSA-N 1 1 401.352 4.890 40 0 HJABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C2CC2)n1 ZINC000328993208 568971823 /nfs/dbraw/zinc/97/18/23/568971823.db2.gz IZYJXKBAEHDUEB-CYBMUJFWSA-N 1 1 401.352 4.890 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000247503126 569315361 /nfs/dbraw/zinc/31/53/61/569315361.db2.gz QOWLDWRIHCBQLS-ZYKOEDHHSA-N 1 1 407.533 4.760 40 0 HJABMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000248148386 569316503 /nfs/dbraw/zinc/31/65/03/569316503.db2.gz UNYKOJHHYVKMAP-UWJYYQICSA-N 1 1 401.553 4.508 40 0 HJABMO COc1ccc(OCc2sc([C@]3(O)CCC[N@@H+](CC(C)(C)C)CC3)nc2C)cc1 ZINC000019705277 569347879 /nfs/dbraw/zinc/34/78/79/569347879.db2.gz ZLDZQMCAMRNOQI-QHCPKHFHSA-N 1 1 418.603 4.759 40 0 HJABMO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000019705443 569347977 /nfs/dbraw/zinc/34/79/77/569347977.db2.gz LIGQEHHEFSYMRR-JOCHJYFZSA-N 1 1 406.567 4.542 40 0 HJABMO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019705447 569348021 /nfs/dbraw/zinc/34/80/21/569348021.db2.gz SUOYXELUEFGFAM-JOCHJYFZSA-N 1 1 424.557 4.681 40 0 HJABMO CC1(C)C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918112 520520294 /nfs/dbraw/zinc/52/02/94/520520294.db2.gz DVBXOJVCDQKCPK-WIYYLYMNSA-N 1 1 412.961 4.971 40 0 HJABMO COc1ccc2nc(C[N@@H+](CCCn3ccnc3)Cc3cccc(F)c3)ccc2c1 ZINC000043277710 525665362 /nfs/dbraw/zinc/66/53/62/525665362.db2.gz PPYROLHYEYAUCV-UHFFFAOYSA-N 1 1 404.489 4.672 40 0 HJABMO O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044906341 526272097 /nfs/dbraw/zinc/27/20/97/526272097.db2.gz GHRVXQLNSALGTD-IBGZPJMESA-N 1 1 405.369 4.954 40 0 HJABMO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000034701736 557016288 /nfs/dbraw/zinc/01/62/88/557016288.db2.gz JXSIXESCLOWLKG-QFIPXVFZSA-N 1 1 414.549 4.696 40 0 HJABMO Cc1nn(-c2ccccn2)c2nc([C@@H]3CCC[N@@H+]3Cc3cn(C)c4ccccc34)ccc12 ZINC000019742440 558262654 /nfs/dbraw/zinc/26/26/54/558262654.db2.gz VIOUIUHXGRQTQE-DEOSSOPVSA-N 1 1 422.536 4.953 40 0 HJABMO COCc1cc(C[N@H+]2CCC[C@H](c3ccc4c(C)nn(C)c4n3)C2)ccc1OC(C)C ZINC000019742509 558263020 /nfs/dbraw/zinc/26/30/20/558263020.db2.gz YXCXPUAYPZSVCG-FQEVSTJZSA-N 1 1 422.573 4.590 40 0 HJABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753202 558272507 /nfs/dbraw/zinc/27/25/07/558272507.db2.gz CVVBBSGWZFXDSW-KRWDZBQOSA-N 1 1 424.907 4.819 40 0 HJABMO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)n2c3ccccc3c3ccccc32)CC1 ZINC000037100507 558504783 /nfs/dbraw/zinc/50/47/83/558504783.db2.gz USUPQZPLKKDNCA-IBGZPJMESA-N 1 1 413.521 4.654 40 0 HJABMO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)no2)cn1 ZINC000013227834 558527197 /nfs/dbraw/zinc/52/71/97/558527197.db2.gz ZRGIYEXKGLVVQJ-UHFFFAOYSA-N 1 1 404.301 4.521 40 0 HJABMO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039763842 558685905 /nfs/dbraw/zinc/68/59/05/558685905.db2.gz PFPZYBTYCYCCKQ-QGZVFWFLSA-N 1 1 402.941 4.829 40 0 HJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1Cl ZINC000039756170 558687887 /nfs/dbraw/zinc/68/78/87/558687887.db2.gz KYZQRLCTXVKWRS-UHFFFAOYSA-N 1 1 411.304 4.992 40 0 HJABMO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030946090 558746218 /nfs/dbraw/zinc/74/62/18/558746218.db2.gz SRHWQESZUAZFKL-GOSISDBHSA-N 1 1 421.368 4.873 40 0 HJABMO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000016681523 558799376 /nfs/dbraw/zinc/79/93/76/558799376.db2.gz PGPNQXLVULQRMV-UHFFFAOYSA-N 1 1 424.397 4.866 40 0 HJABMO Cc1cc(C)cc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000038833548 558817038 /nfs/dbraw/zinc/81/70/38/558817038.db2.gz ZJWDTWMXXMECPL-UHFFFAOYSA-N 1 1 401.348 4.917 40 0 HJABMO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038833928 558817249 /nfs/dbraw/zinc/81/72/49/558817249.db2.gz VVWHURCOZMWHEK-OAHLLOKOSA-N 1 1 407.739 4.953 40 0 HJABMO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038833778 558817284 /nfs/dbraw/zinc/81/72/84/558817284.db2.gz JMAYEPQMYHWSCT-UHFFFAOYSA-N 1 1 407.739 4.953 40 0 HJABMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833992 558817364 /nfs/dbraw/zinc/81/73/64/558817364.db2.gz MUNLQWGYVMXBNU-HNNXBMFYSA-N 1 1 407.739 4.953 40 0 HJABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CC[C@H]21 ZINC000019081615 558839841 /nfs/dbraw/zinc/83/98/41/558839841.db2.gz BVYKIVICNXGKRC-DBXWQHBBSA-N 1 1 418.553 4.889 40 0 HJABMO CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019529147 558910838 /nfs/dbraw/zinc/91/08/38/558910838.db2.gz QICLAFUWDZIEMD-VWLOTQADSA-N 1 1 419.594 4.689 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568898 558928071 /nfs/dbraw/zinc/92/80/71/558928071.db2.gz JUQSXCZCBFQKIE-HNNXBMFYSA-N 1 1 405.420 4.938 40 0 HJABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)n1 ZINC000072334723 558935815 /nfs/dbraw/zinc/93/58/15/558935815.db2.gz QNMYECPYXQZAPB-KRWDZBQOSA-N 1 1 422.916 4.609 40 0 HJABMO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072345978 558942686 /nfs/dbraw/zinc/94/26/86/558942686.db2.gz DBMJXASZWKXEMT-INIZCTEOSA-N 1 1 413.447 4.519 40 0 HJABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000072350215 558947125 /nfs/dbraw/zinc/94/71/25/558947125.db2.gz DAMHNSDVUWQNGX-FQEVSTJZSA-N 1 1 411.977 4.516 40 0 HJABMO CCn1cc(C[N@H+]2CCC[C@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1 ZINC000072354106 558951422 /nfs/dbraw/zinc/95/14/22/558951422.db2.gz CKMKWQJKWPNWBJ-QHCPKHFHSA-N 1 1 418.585 4.894 40 0 HJABMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)c(C)c1C ZINC000019690825 558960313 /nfs/dbraw/zinc/96/03/13/558960313.db2.gz FVNQOMLJTVSNOO-HSZRJFAPSA-N 1 1 417.557 4.700 40 0 HJABMO Cc1c(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019694318 558962751 /nfs/dbraw/zinc/96/27/51/558962751.db2.gz HSKNQWROYMEECT-OAQYLSRUSA-N 1 1 424.980 4.632 40 0 HJABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)n1 ZINC000072375035 558963441 /nfs/dbraw/zinc/96/34/41/558963441.db2.gz TWURQWOAKXHDGB-HXUWFJFHSA-N 1 1 410.525 4.851 40 0 HJABMO COc1cccc(OC)c1C[N@@H+]1CCC[C@H]1c1cccc(Nc2ncccc2C)n1 ZINC000072375503 558964054 /nfs/dbraw/zinc/96/40/54/558964054.db2.gz RJBTVLTXBSWKSL-FQEVSTJZSA-N 1 1 404.514 4.883 40 0 HJABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H]1c1cccc(Nc2ncccc2C)n1 ZINC000072375503 558964056 /nfs/dbraw/zinc/96/40/56/558964056.db2.gz RJBTVLTXBSWKSL-FQEVSTJZSA-N 1 1 404.514 4.883 40 0 HJABMO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019709327 558971430 /nfs/dbraw/zinc/97/14/30/558971430.db2.gz FZMCRJUOKNPWTB-DEOSSOPVSA-N 1 1 421.491 4.935 40 0 HJABMO CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@H+](C)C[C@@H](C)c2ccccc2)C1 ZINC000072395275 558974118 /nfs/dbraw/zinc/97/41/18/558974118.db2.gz PKBNUEFQKBVAND-WIYYLYMNSA-N 1 1 404.558 4.524 40 0 HJABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398621 558976322 /nfs/dbraw/zinc/97/63/22/558976322.db2.gz YQXYCXVLJBZQTO-QPPBQGQZSA-N 1 1 423.601 4.984 40 0 HJABMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)nc2ccccn12 ZINC000585100551 559023996 /nfs/dbraw/zinc/02/39/96/559023996.db2.gz NGRVDAGLTFMDFM-VWLOTQADSA-N 1 1 408.590 4.570 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290350 559122920 /nfs/dbraw/zinc/12/29/20/559122920.db2.gz QMFQXSKBKDHHGD-OAHLLOKOSA-N 1 1 418.419 4.539 40 0 HJABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCN(C)CC4)C=C3C)[nH]c21 ZINC000072320975 560077208 /nfs/dbraw/zinc/07/72/08/560077208.db2.gz YAXATQPBJPKCKR-FUDKSRODSA-N 1 1 408.634 4.952 40 0 biogenic,in-vitro HJABMO COc1cc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCC2)ccc1O ZINC000000904268 560545007 /nfs/dbraw/zinc/54/50/07/560545007.db2.gz GUTZGHYMLUPIPL-UHFFFAOYSA-N 1 1 402.292 4.833 40 0 HJABMO c1ccc(Oc2cccc(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000013569048 560814246 /nfs/dbraw/zinc/81/42/46/560814246.db2.gz QYYTZPDMSDPERB-UHFFFAOYSA-N 1 1 417.553 4.598 40 0 HJABMO S=C(c1cccc(OCc2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013547123 560815503 /nfs/dbraw/zinc/81/55/03/560815503.db2.gz DSMRHJXYNDHGDH-UHFFFAOYSA-N 1 1 402.563 4.759 40 0 HJABMO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000219421827 568491707 /nfs/dbraw/zinc/49/17/07/568491707.db2.gz GWDSAHPXFXGRBG-UHFFFAOYSA-N 1 1 405.380 4.668 40 0 HJABMO Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)cc2ccc(Cl)cc21 ZINC000604404081 568492318 /nfs/dbraw/zinc/49/23/18/568492318.db2.gz BWCXJFJKOLWLLF-HSJYVMOXSA-N 1 1 423.988 4.867 40 0 HJABMO O=C(COc1cccc(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000222766294 568525890 /nfs/dbraw/zinc/52/58/90/568525890.db2.gz NOOHMLIZJXMERD-UHFFFAOYSA-N 1 1 420.940 4.653 40 0 HJABMO COc1ccc(Cl)cc1C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222954457 568532200 /nfs/dbraw/zinc/53/22/00/568532200.db2.gz LABQUXAOCDLEFS-UHFFFAOYSA-N 1 1 404.297 4.782 40 0 HJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000223121200 568538338 /nfs/dbraw/zinc/53/83/38/568538338.db2.gz LJPOZQKYHHTFGB-UHFFFAOYSA-N 1 1 403.910 4.523 40 0 HJABMO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000223740221 568557835 /nfs/dbraw/zinc/55/78/35/568557835.db2.gz ZPVMOWIHLHPIDK-XMMPIXPASA-N 1 1 403.526 4.533 40 0 HJABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1C ZINC000223973406 568565063 /nfs/dbraw/zinc/56/50/63/568565063.db2.gz UIQMJLBSCORGGN-UHFFFAOYSA-N 1 1 418.940 4.503 40 0 HJABMO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225582921 568654053 /nfs/dbraw/zinc/65/40/53/568654053.db2.gz MRSLICLKIVQDQH-UHFFFAOYSA-N 1 1 418.940 4.795 40 0 HJABMO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225738762 568669920 /nfs/dbraw/zinc/66/99/20/568669920.db2.gz HOFCTQOZOSTGMY-ROKPMTFOSA-N 1 1 404.595 4.967 40 0 HJABMO O=C(c1conc1-c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225872018 568682374 /nfs/dbraw/zinc/68/23/74/568682374.db2.gz WRHZIXOCINQJAI-UHFFFAOYSA-N 1 1 423.516 4.889 40 0 HJABMO CC(C)CSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260747088 568737245 /nfs/dbraw/zinc/73/72/45/568737245.db2.gz ZXBBEWJFRCQPFW-HNNXBMFYSA-N 1 1 404.605 4.770 40 0 HJABMO CCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260812493 568739991 /nfs/dbraw/zinc/73/99/91/568739991.db2.gz DFNLXPQWIMXCRU-DCLXLUIPSA-N 1 1 402.579 4.864 40 0 HJABMO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000260822771 568740497 /nfs/dbraw/zinc/74/04/97/568740497.db2.gz ABWVONLBYQGXMU-AEFFLSMTSA-N 1 1 413.359 4.639 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260818193 568740595 /nfs/dbraw/zinc/74/05/95/568740595.db2.gz WYOVNAMKXAJKJT-YOSAUDMPSA-N 1 1 402.579 4.864 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260818191 568740693 /nfs/dbraw/zinc/74/06/93/568740693.db2.gz WYOVNAMKXAJKJT-MZLICYQSSA-N 1 1 402.579 4.864 40 0 HJABMO COc1cc(C)ccc1CNc1cc(-c2c[nH]nc2[C@H]2CC[N@H+](C(C)C)C2)ccn1 ZINC000257253025 568791143 /nfs/dbraw/zinc/79/11/43/568791143.db2.gz JXHQBHUXMKSZCM-FQEVSTJZSA-N 1 1 405.546 4.599 40 0 HJABMO CC(C)[N@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccc4ncccc4c3)c2)C1 ZINC000257264544 568794113 /nfs/dbraw/zinc/79/41/13/568794113.db2.gz LUXQBGCXUSIEGZ-OAQYLSRUSA-N 1 1 412.541 4.830 40 0 HJABMO Cc1nc([C@H]2CC[N@@H+](CC3CCCCC3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257287581 568800880 /nfs/dbraw/zinc/80/08/80/568800880.db2.gz PQNSCWRCVAVGLW-FQEVSTJZSA-N 1 1 424.564 4.783 40 0 HJABMO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C ZINC000257326438 568812255 /nfs/dbraw/zinc/81/22/55/568812255.db2.gz WXFMSARLAAZGNR-AVRDEDQJSA-N 1 1 401.551 4.737 40 0 HJABMO COc1ccc(-c2cccc([C@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257335459 568814741 /nfs/dbraw/zinc/81/47/41/568814741.db2.gz YKFYGVWHRQWPQJ-AREMUKBSSA-N 1 1 411.505 4.879 40 0 HJABMO COc1ccc(-c2cccc([C@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)n2)cc1 ZINC000257335459 568814743 /nfs/dbraw/zinc/81/47/43/568814743.db2.gz YKFYGVWHRQWPQJ-AREMUKBSSA-N 1 1 411.505 4.879 40 0 HJABMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000006595703 568937037 /nfs/dbraw/zinc/93/70/37/568937037.db2.gz AVGUOYKVSMTJDN-RUZDIDTESA-N 1 1 420.597 4.779 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000247503113 569315357 /nfs/dbraw/zinc/31/53/57/569315357.db2.gz QOWLDWRIHCBQLS-IZIIKQMZSA-N 1 1 407.533 4.760 40 0 HJABMO COc1cccc(-c2ccc([C@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)nc2)c1 ZINC000019692583 569346120 /nfs/dbraw/zinc/34/61/20/569346120.db2.gz SJDVCAZANQGTBO-AREMUKBSSA-N 1 1 411.505 4.879 40 0 HJABMO COc1cccc(-c2ccc([C@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)nc2)c1 ZINC000019692583 569346121 /nfs/dbraw/zinc/34/61/21/569346121.db2.gz SJDVCAZANQGTBO-AREMUKBSSA-N 1 1 411.505 4.879 40 0 HJABMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044855712 569351994 /nfs/dbraw/zinc/35/19/94/569351994.db2.gz PKURWUSWWPZKCX-FDDCHVKYSA-N 1 1 422.569 4.959 40 0 HJABMO CC(C)[N@@H+]1C=C(Cc2ccc(F)cc2)C2=C(C1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 ZINC000020459291 571314647 /nfs/dbraw/zinc/31/46/47/571314647.db2.gz FADZMELJKLGBMW-QHCPKHFHSA-N 1 1 419.475 4.877 40 0 HJABMO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291392 132358049 /nfs/dbraw/zinc/35/80/49/132358049.db2.gz IPIPAPKIFPXDQE-VWLOTQADSA-N 1 1 422.544 4.584 40 0 HJABMO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044919804 521348094 /nfs/dbraw/zinc/34/80/94/521348094.db2.gz BUKCWFWSGWYSOM-UHFFFAOYSA-N 1 1 421.368 4.921 40 0 HJABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044912000 521508317 /nfs/dbraw/zinc/50/83/17/521508317.db2.gz LDXJDORDRVRHRF-LJQANCHMSA-N 1 1 414.933 4.676 40 0 HJABMO Cc1cccnc1-n1cccc1C[N@@H+](CCCn1ccnc1)Cc1cccc(F)c1 ZINC000043277715 525475680 /nfs/dbraw/zinc/47/56/80/525475680.db2.gz YLAWITFRQWWNTG-UHFFFAOYSA-N 1 1 403.505 4.609 40 0 HJABMO O=C(NCCCc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044906209 526279121 /nfs/dbraw/zinc/27/91/21/526279121.db2.gz OYXNKJDAHDWVSZ-LJQANCHMSA-N 1 1 405.369 4.954 40 0 HJABMO COc1ccc([C@@H]2c3cc4c(cc3O[C@@]3([NH+]5CCCC5)CCC[C@H]23)OCO4)c(OC)c1 ZINC000005554762 557661570 /nfs/dbraw/zinc/66/15/70/557661570.db2.gz NYLWYKVNXOZERE-WVQWTBLQSA-N 1 1 423.509 4.549 40 0 HJABMO COc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000035311859 557687782 /nfs/dbraw/zinc/68/77/82/557687782.db2.gz ZLJLBEVCSPUQSM-ALOPSCKCSA-N 1 1 401.601 4.629 40 0 HJABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccccc1 ZINC000006468961 557704007 /nfs/dbraw/zinc/70/40/07/557704007.db2.gz LWBSXRSUPXCDBI-MRXNPFEDSA-N 1 1 401.348 4.539 40 0 HJABMO CC(C)Oc1ccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020042005 558326311 /nfs/dbraw/zinc/32/63/11/558326311.db2.gz ZTPONMGNKYWMOV-UHFFFAOYSA-N 1 1 414.549 4.962 40 0 HJABMO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020460057 558372439 /nfs/dbraw/zinc/37/24/39/558372439.db2.gz GENSBTZKYIDIBQ-HNNXBMFYSA-N 1 1 400.906 4.611 40 0 HJABMO COc1ccc([C@@H]2Cc3cc(OC)c(OC)cc3[C@H](c3ccccc3)[NH2+]2)cc1OC ZINC000031795253 558752414 /nfs/dbraw/zinc/75/24/14/558752414.db2.gz CKZCETURDAJQBM-CPJSRVTESA-N 1 1 405.494 4.697 40 0 HJABMO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038833837 558817226 /nfs/dbraw/zinc/81/72/26/558817226.db2.gz FHMLNQRQTUONNL-UHFFFAOYSA-N 1 1 407.739 4.953 40 0 HJABMO O=C(Nc1ccccc1Br)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038834881 558817794 /nfs/dbraw/zinc/81/77/94/558817794.db2.gz DCUDODIPSVJOGB-HNNXBMFYSA-N 1 1 407.739 4.953 40 0 HJABMO Cc1cccc(CSCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000038851589 558818870 /nfs/dbraw/zinc/81/88/70/558818870.db2.gz MQGFDYITRAHEDE-NRFANRHFSA-N 1 1 417.018 4.910 40 0 HJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000038854613 558819286 /nfs/dbraw/zinc/81/92/86/558819286.db2.gz UHBFWKZIYFGEJD-UHFFFAOYSA-N 1 1 416.525 4.555 40 0 HJABMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038857669 558819613 /nfs/dbraw/zinc/81/96/13/558819613.db2.gz DHWSFJAGDZAKBF-HNNXBMFYSA-N 1 1 420.340 4.803 40 0 HJABMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038857669 558819615 /nfs/dbraw/zinc/81/96/15/558819615.db2.gz DHWSFJAGDZAKBF-HNNXBMFYSA-N 1 1 420.340 4.803 40 0 HJABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000019239792 558858513 /nfs/dbraw/zinc/85/85/13/558858513.db2.gz HLFDRQZIEQRYPN-QFIPXVFZSA-N 1 1 405.521 4.779 40 0 HJABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1 ZINC000019292904 558864665 /nfs/dbraw/zinc/86/46/65/558864665.db2.gz NHPOBINKBGFEDW-OAHLLOKOSA-N 1 1 408.329 4.597 40 0 HJABMO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1 ZINC000019292904 558864666 /nfs/dbraw/zinc/86/46/66/558864666.db2.gz NHPOBINKBGFEDW-OAHLLOKOSA-N 1 1 408.329 4.597 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449617 558888267 /nfs/dbraw/zinc/88/82/67/558888267.db2.gz XPHZOZGDRORJCT-VWLOTQADSA-N 1 1 419.594 4.770 40 0 HJABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)no2)CC1 ZINC000019496739 558895716 /nfs/dbraw/zinc/89/57/16/558895716.db2.gz AGNLYCBCNYXFKH-SFHVURJKSA-N 1 1 401.938 4.580 40 0 HJABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c2sccn12 ZINC000019523086 558904181 /nfs/dbraw/zinc/90/41/81/558904181.db2.gz SWQIFVILCIOVDA-PKOBYXMFSA-N 1 1 424.570 4.587 40 0 HJABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 ZINC000019533253 558913045 /nfs/dbraw/zinc/91/30/45/558913045.db2.gz ZMFCCOTVTNRFLK-NRFANRHFSA-N 1 1 421.545 4.550 40 0 HJABMO COc1cc2c(cc1OC)C[N@@H+](Cc1c3cccnc3[nH]c1-c1ccc(F)cc1)CC2 ZINC000019550733 558915148 /nfs/dbraw/zinc/91/51/48/558915148.db2.gz JJNCWZBPUVVMPC-UHFFFAOYSA-N 1 1 417.484 4.945 40 0 HJABMO Cc1noc2nc([C@@H]3CCC[N@@H+](Cc4c[nH]nc4C(C)(C)C)C3)cc(C(F)F)c12 ZINC000019564299 558924452 /nfs/dbraw/zinc/92/44/52/558924452.db2.gz DCIURIMEACDTJB-CYBMUJFWSA-N 1 1 403.477 4.869 40 0 HJABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072330440 558934826 /nfs/dbraw/zinc/93/48/26/558934826.db2.gz SWDNPTPLKQAUPZ-OFVILXPXSA-N 1 1 409.549 4.871 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000072330595 558935010 /nfs/dbraw/zinc/93/50/10/558935010.db2.gz JJKKJDIFSMJYBC-RDGATRHJSA-N 1 1 421.585 4.577 40 0 HJABMO Cc1nc([C@@H]2CCCC[N@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccccc1F ZINC000072345447 558941860 /nfs/dbraw/zinc/94/18/60/558941860.db2.gz QJMPRDXRGBQFPK-QHCPKHFHSA-N 1 1 418.516 4.946 40 0 HJABMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350025 558946929 /nfs/dbraw/zinc/94/69/29/558946929.db2.gz UZQRXIYISKRUKG-SFHVURJKSA-N 1 1 414.475 4.804 40 0 HJABMO Cn1ccnc1C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072350025 558946931 /nfs/dbraw/zinc/94/69/31/558946931.db2.gz UZQRXIYISKRUKG-SFHVURJKSA-N 1 1 414.475 4.804 40 0 HJABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072354061 558951384 /nfs/dbraw/zinc/95/13/84/558951384.db2.gz KPYSFICOWAHIOT-DEOSSOPVSA-N 1 1 416.569 4.590 40 0 HJABMO Cc1cc(-c2cn[nH]c2)cc([C@@H]2CCC[N@@H+]2Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019691046 558960456 /nfs/dbraw/zinc/96/04/56/558960456.db2.gz JIHSXKOFYQHSRX-DEOSSOPVSA-N 1 1 412.541 4.731 40 0 HJABMO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCC[C@H]1c1cc(-c2cnc(N)nc2)cc(C)n1 ZINC000019690964 558960674 /nfs/dbraw/zinc/96/06/74/558960674.db2.gz FZDWAVUWWJSURD-QHCPKHFHSA-N 1 1 416.504 4.695 40 0 HJABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccccc3C)cc(C)n2)cn1 ZINC000019691928 558961436 /nfs/dbraw/zinc/96/14/36/558961436.db2.gz OTDIJZRJJPGKRS-VWLOTQADSA-N 1 1 416.569 4.605 40 0 HJABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccccc3C)cc(C)n2)cn1 ZINC000019691928 558961438 /nfs/dbraw/zinc/96/14/38/558961438.db2.gz OTDIJZRJJPGKRS-VWLOTQADSA-N 1 1 416.569 4.605 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccccn3)[nH]n2)c1 ZINC000019703692 558967747 /nfs/dbraw/zinc/96/77/47/558967747.db2.gz NGBWHQAWJNXYNW-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO FC(F)(F)c1cccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccccn3)[nH]n2)c1 ZINC000019703692 558967750 /nfs/dbraw/zinc/96/77/50/558967750.db2.gz NGBWHQAWJNXYNW-OAQYLSRUSA-N 1 1 416.447 4.782 40 0 HJABMO CC(C)n1cc(C[N@H+]2CCC[C@@H](c3ccc(C(=O)N(C)C)cn3)C2)c2ccccc21 ZINC000019705637 558967938 /nfs/dbraw/zinc/96/79/38/558967938.db2.gz RVWBLVGQXNNYPD-HXUWFJFHSA-N 1 1 404.558 4.699 40 0 HJABMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019709314 558971559 /nfs/dbraw/zinc/97/15/59/558971559.db2.gz NRQYYAQKVYNRLW-XMMPIXPASA-N 1 1 421.491 4.935 40 0 HJABMO COc1cc(C[N@@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc(OC)c1 ZINC000072395089 558974039 /nfs/dbraw/zinc/97/40/39/558974039.db2.gz RBHFWPLMTFXLNN-SQJMNOBHSA-N 1 1 421.541 4.809 40 0 HJABMO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4ccc(F)cc4F)C[C@@H]32)o1 ZINC000585109656 559029491 /nfs/dbraw/zinc/02/94/91/559029491.db2.gz HRUGRZVUVTZFHP-SXWKCWPCSA-N 1 1 408.448 4.567 40 0 HJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000585165356 559066441 /nfs/dbraw/zinc/06/64/41/559066441.db2.gz FTENZSJDWILLJD-FQEVSTJZSA-N 1 1 422.960 4.715 40 0 HJABMO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)[N@@H+]2C[C@@H](C)CC[C@@H]12 ZINC000118915637 559205488 /nfs/dbraw/zinc/20/54/88/559205488.db2.gz AANKDJLVHZQCFG-FTJNRNOHSA-N 1 1 413.646 4.626 40 0 in-vitro HJABMO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23CO)[N@@H+]2C[C@H](C)CC[C@@H]12 ZINC000118936396 559206608 /nfs/dbraw/zinc/20/66/08/559206608.db2.gz NMFWDNZLNHRNAT-VKROHFNGSA-N 1 1 413.646 4.627 40 0 HJABMO C[C@@]1(O)CC[N@@H+](CC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514290088 560030484 /nfs/dbraw/zinc/03/04/84/560030484.db2.gz YLKBOFBXINKTRO-WPFOTENUSA-N 1 1 412.599 4.625 40 0 biogenic,in-vitro HJABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NCc2ccc3c(c2)OCO3)cc1OC ZINC000004848467 560610164 /nfs/dbraw/zinc/61/01/64/560610164.db2.gz LVLQVSFYQYCRKL-UHFFFAOYSA-N 1 1 417.465 4.668 40 0 HJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc2)C1 ZINC000219240600 568488292 /nfs/dbraw/zinc/48/82/92/568488292.db2.gz WQUIDTCIFREKOS-MRXNPFEDSA-N 1 1 424.932 4.552 40 0 HJABMO O=C(Cc1ccc(F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000057773929 568497275 /nfs/dbraw/zinc/49/72/75/568497275.db2.gz JCJRDRMQBOUQLG-LADGPHEKSA-N 1 1 406.545 4.662 40 0 HJABMO O=C(Cc1cccc(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000223375265 568546909 /nfs/dbraw/zinc/54/69/09/568546909.db2.gz XZFOHNKLYABGRB-UHFFFAOYSA-N 1 1 404.941 4.816 40 0 HJABMO CC(C)n1c(SCc2cccnc2)nnc1[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000026441099 568549569 /nfs/dbraw/zinc/54/95/69/568549569.db2.gz WUTVHCSTJCFCEX-GOSISDBHSA-N 1 1 413.616 4.987 40 0 HJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)C1 ZINC000223618860 568553462 /nfs/dbraw/zinc/55/34/62/568553462.db2.gz PYERJSVMLWECIU-HXUWFJFHSA-N 1 1 402.538 4.881 40 0 HJABMO CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000223656820 568555115 /nfs/dbraw/zinc/55/51/15/568555115.db2.gz CIWMTNGYFAKEBB-FQEVSTJZSA-N 1 1 412.549 4.530 40 0 HJABMO CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223730156 568557613 /nfs/dbraw/zinc/55/76/13/568557613.db2.gz NADNNFLATHLFCN-FQEVSTJZSA-N 1 1 412.549 4.530 40 0 HJABMO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000224539353 568584109 /nfs/dbraw/zinc/58/41/09/568584109.db2.gz OLJKKPSVAOZQRC-UHFFFAOYSA-N 1 1 407.341 4.991 40 0 HJABMO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225623099 568658174 /nfs/dbraw/zinc/65/81/74/568658174.db2.gz MMBVSYDTAFZLBV-ROKPMTFOSA-N 1 1 404.595 4.967 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260814455 568740122 /nfs/dbraw/zinc/74/01/22/568740122.db2.gz IMEAFNFHNJZXJU-ITGJCUMNSA-N 1 1 402.579 4.864 40 0 HJABMO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4cscn4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257201729 568776477 /nfs/dbraw/zinc/77/64/77/568776477.db2.gz AIUSILWPVZXHHS-PZJWPPBQSA-N 1 1 414.571 4.683 40 0 HJABMO CCCc1ccc(OCc2ccccc2)c(C[N@@H+](C)[C@@H]2CC[C@@H](n3ccnc3)[C@@H]2O)c1 ZINC000257228059 568784405 /nfs/dbraw/zinc/78/44/05/568784405.db2.gz FSCYEYSNFBWVSK-DGWZTRNLSA-N 1 1 419.569 4.611 40 0 HJABMO Cc1cccc(Nc2ccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)nc2)n1 ZINC000257248612 568789952 /nfs/dbraw/zinc/78/99/52/568789952.db2.gz JELDBVKAXOMFQW-XMMPIXPASA-N 1 1 411.509 4.650 40 0 HJABMO Cc1cccc(Nc2ccc([C@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)nc2)n1 ZINC000257248612 568789955 /nfs/dbraw/zinc/78/99/55/568789955.db2.gz JELDBVKAXOMFQW-XMMPIXPASA-N 1 1 411.509 4.650 40 0 HJABMO CC(C)[N@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3cccc4ncccc34)c2)C1 ZINC000257274329 568797057 /nfs/dbraw/zinc/79/70/57/568797057.db2.gz NKMXVJIEVQRQDC-HXUWFJFHSA-N 1 1 412.541 4.830 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cc1 ZINC000257311551 568807650 /nfs/dbraw/zinc/80/76/50/568807650.db2.gz UJZVFLOXEZKQFN-KOVSNXQUSA-N 1 1 406.526 4.537 40 0 HJABMO CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000026780407 568831287 /nfs/dbraw/zinc/83/12/87/568831287.db2.gz RXSZNNUEYOEETB-HSZRJFAPSA-N 1 1 413.602 4.635 40 0 HJABMO CCOc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000006790962 568937006 /nfs/dbraw/zinc/93/70/06/568937006.db2.gz FQWIETFSWUKQHB-RUZDIDTESA-N 1 1 420.597 4.779 40 0 HJABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000328998004 568971926 /nfs/dbraw/zinc/97/19/26/568971926.db2.gz JRECCMMKYQIZAI-QGZVFWFLSA-N 1 1 400.526 4.582 40 0 HJABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000328998004 568971928 /nfs/dbraw/zinc/97/19/28/568971928.db2.gz JRECCMMKYQIZAI-QGZVFWFLSA-N 1 1 400.526 4.582 40 0 HJABMO O=C(Cc1ccc(F)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000222015145 569052665 /nfs/dbraw/zinc/05/26/65/569052665.db2.gz JCJRDRMQBOUQLG-UPVQGACJSA-N 1 1 406.545 4.662 40 0 HJABMO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253412808 569058215 /nfs/dbraw/zinc/05/82/15/569058215.db2.gz SCPFIOQUNAJIQW-OQKBBGGUSA-N 1 1 417.597 4.912 40 0 HJABMO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009062750 569342246 /nfs/dbraw/zinc/34/22/46/569342246.db2.gz DTXLLLPEISJROA-UHFFFAOYSA-N 1 1 406.904 4.579 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000012183396 569344704 /nfs/dbraw/zinc/34/47/04/569344704.db2.gz MHLJWTHDLJMNJQ-IFMALSPDSA-N 1 1 421.566 4.535 40 0 HJABMO Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855213 569352018 /nfs/dbraw/zinc/35/20/18/569352018.db2.gz FEHJMIGOEQMILR-SIKLNZKXSA-N 1 1 410.533 4.765 40 0 HJABMO CC1(C)C[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918122 569352078 /nfs/dbraw/zinc/35/20/78/569352078.db2.gz DVBXOJVCDQKCPK-GHTZIAJQSA-N 1 1 412.961 4.971 40 0 HJABMO CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020106866 520687987 /nfs/dbraw/zinc/68/79/87/520687987.db2.gz DDBZKAQAZOEGFK-LJQANCHMSA-N 1 1 407.558 4.701 40 0 HJABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000044911493 521537477 /nfs/dbraw/zinc/53/74/77/521537477.db2.gz XOLCFHKYCKAJQQ-UHFFFAOYSA-N 1 1 418.896 4.507 40 0 HJABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)N1CCc2ccccc2C1 ZINC000045771105 526303129 /nfs/dbraw/zinc/30/31/29/526303129.db2.gz RXHQILFDSSBIMX-UHFFFAOYSA-N 1 1 403.353 4.790 40 0 HJABMO COc1ccc([C@@H]2c3cc4c(cc3O[C@]3([NH+]5CCCC5)CCC[C@H]23)OCO4)c(OC)c1 ZINC000005554765 557661586 /nfs/dbraw/zinc/66/15/86/557661586.db2.gz NYLWYKVNXOZERE-UKDVSSAZSA-N 1 1 423.509 4.549 40 0 HJABMO COc1ccc(-c2[nH+]c3c(C)cccn3c2NCc2ccc3c(c2)OCO3)cc1OC ZINC000035315189 557690684 /nfs/dbraw/zinc/69/06/84/557690684.db2.gz IZNSQIJSIWSSPH-UHFFFAOYSA-N 1 1 417.465 4.668 40 0 HJABMO Cc1nc([C@@H]2CCC[N@H+]2CCCc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019753519 558272717 /nfs/dbraw/zinc/27/27/17/558272717.db2.gz XWWMXFKFGWDFJF-QHCPKHFHSA-N 1 1 400.526 4.807 40 0 HJABMO Cc1nc(NCc2ccccc2F)cc(CC2CCN(C(=O)C[C@@H]3C=CCC3)CC2)[nH+]1 ZINC000019758679 558274995 /nfs/dbraw/zinc/27/49/95/558274995.db2.gz BACCPDWXLPJSDC-LJQANCHMSA-N 1 1 422.548 4.674 40 0 HJABMO CCCOc1c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cccc1OC ZINC000012238102 558358942 /nfs/dbraw/zinc/35/89/42/558358942.db2.gz RAZCJLOUWJERIA-KEVCNVLYSA-N 1 1 411.542 4.507 40 0 HJABMO CCOCc1cc(C[N@@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)ccc1OC ZINC000012241247 558360340 /nfs/dbraw/zinc/36/03/40/558360340.db2.gz BIVWOVDQELNAMK-UHFFFAOYSA-N 1 1 414.452 4.723 40 0 HJABMO CCOCc1cc(C[N@H+]2CCc3onc(-c4ccc(F)c(F)c4)c3C2)ccc1OC ZINC000012241247 558360343 /nfs/dbraw/zinc/36/03/43/558360343.db2.gz BIVWOVDQELNAMK-UHFFFAOYSA-N 1 1 414.452 4.723 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000012408199 558399168 /nfs/dbraw/zinc/39/91/68/558399168.db2.gz ZGFPMJITQAXRLK-TZIWHRDSSA-N 1 1 409.530 4.666 40 0 HJABMO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038853596 558819059 /nfs/dbraw/zinc/81/90/59/558819059.db2.gz SMJAENSWWKDNPV-UHFFFAOYSA-N 1 1 409.274 4.578 40 0 HJABMO c1csc([C@H](Cc2ccsc2)[NH2+]Cc2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000019330935 558868211 /nfs/dbraw/zinc/86/82/11/558868211.db2.gz AHAJRUKAXIWTCL-UXHICEINSA-N 1 1 400.569 4.836 40 0 HJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019370375 558878687 /nfs/dbraw/zinc/87/86/87/558878687.db2.gz RUFPBGWSYMMBBG-ATIYNZHBSA-N 1 1 417.528 4.533 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@@H+](Cc2cccnc2)C1 ZINC000019449615 558888223 /nfs/dbraw/zinc/88/82/23/558888223.db2.gz XPHZOZGDRORJCT-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)no1 ZINC000019503656 558900900 /nfs/dbraw/zinc/90/09/00/558900900.db2.gz SJWYBEKPOTVQCV-QFIPXVFZSA-N 1 1 417.553 4.826 40 0 HJABMO CCSc1ncc(C[N@@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cn1 ZINC000019520512 558901457 /nfs/dbraw/zinc/90/14/57/558901457.db2.gz CAHMHMUAOKMQFF-RBBKRZOGSA-N 1 1 423.586 4.694 40 0 HJABMO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](Cc4cccs4)C[C@@H]32)c1 ZINC000019566377 558926123 /nfs/dbraw/zinc/92/61/23/558926123.db2.gz BJGIOAUHGAULBE-WXFUMESZSA-N 1 1 424.610 4.763 40 0 HJABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)n1 ZINC000072375036 558963302 /nfs/dbraw/zinc/96/33/02/558963302.db2.gz TWURQWOAKXHDGB-FQEVSTJZSA-N 1 1 410.525 4.851 40 0 HJABMO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+]4C4CCCC4)nc32)cc1 ZINC000019695872 558964311 /nfs/dbraw/zinc/96/43/11/558964311.db2.gz YDGZLFMAPJXDAY-JOCHJYFZSA-N 1 1 404.558 4.652 40 0 HJABMO COc1cc(C)c(C[N@H+]2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c(C)c1C ZINC000072375804 558964887 /nfs/dbraw/zinc/96/48/87/558964887.db2.gz KOENEJMFAVVVIA-NRFANRHFSA-N 1 1 403.530 4.886 40 0 HJABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377988 558967157 /nfs/dbraw/zinc/96/71/57/558967157.db2.gz CALLHRKSGJFUSK-OAQYLSRUSA-N 1 1 410.525 4.851 40 0 HJABMO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100421 559024015 /nfs/dbraw/zinc/02/40/15/559024015.db2.gz UWTCQTCSJNFMHY-XMMPIXPASA-N 1 1 416.487 4.694 40 0 HJABMO Fc1ccccc1C[N@H+]1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290693 559123285 /nfs/dbraw/zinc/12/32/85/559123285.db2.gz UCOWINQHNMHIGB-HNNXBMFYSA-N 1 1 406.383 4.669 40 0 HJABMO Cc1ccc2[nH+]c(-c3ccc(N(C)C)cc3)c(NCc3ccc4c(c3)OCO4)n2c1 ZINC000004848454 560610120 /nfs/dbraw/zinc/61/01/20/560610120.db2.gz BIMOZSSNSUQJNZ-UHFFFAOYSA-N 1 1 400.482 4.717 40 0 HJABMO Cc1cc(C)c(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c(C)c1 ZINC000005625870 560627885 /nfs/dbraw/zinc/62/78/85/560627885.db2.gz CJRHHKZEIZMSCZ-UHFFFAOYSA-N 1 1 410.949 4.960 40 0 HJABMO C[C@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000014608359 560847466 /nfs/dbraw/zinc/84/74/66/560847466.db2.gz QMQKTSUBINLNGL-GOSISDBHSA-N 1 1 401.485 4.785 40 0 HJABMO Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)n2)cc1 ZINC000219241533 568488373 /nfs/dbraw/zinc/48/83/73/568488373.db2.gz ONUZZISHNZVTER-IBGZPJMESA-N 1 1 418.541 4.549 40 0 HJABMO CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223730095 568557543 /nfs/dbraw/zinc/55/75/43/568557543.db2.gz NADNNFLATHLFCN-HXUWFJFHSA-N 1 1 412.549 4.530 40 0 HJABMO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544763 568584363 /nfs/dbraw/zinc/58/43/63/568584363.db2.gz ABCABDIGKWLXMM-UHFFFAOYSA-N 1 1 409.332 4.703 40 0 HJABMO CCCSc1nnc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)s1 ZINC000224866995 568601244 /nfs/dbraw/zinc/60/12/44/568601244.db2.gz FMCXKFXKCSSCCV-UHFFFAOYSA-N 1 1 424.595 4.851 40 0 HJABMO O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000224895017 568602688 /nfs/dbraw/zinc/60/26/88/568602688.db2.gz RRKKGHNWZGXPGF-UHFFFAOYSA-N 1 1 423.516 4.967 40 0 HJABMO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCOCC4)cc3)CCCC2)c1 ZINC000225510211 568644857 /nfs/dbraw/zinc/64/48/57/568644857.db2.gz NXUFVAZMYHKIAC-UHFFFAOYSA-N 1 1 422.569 4.547 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225711274 568666645 /nfs/dbraw/zinc/66/66/45/568666645.db2.gz IALJYUNNDBPENB-HXUWFJFHSA-N 1 1 402.579 4.865 40 0 HJABMO CCO[C@@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225715241 568666969 /nfs/dbraw/zinc/66/69/69/568666969.db2.gz DFNLXPQWIMXCRU-NMMYMHLASA-N 1 1 402.579 4.864 40 0 HJABMO c1c2ccccc2oc1-c1nnc2sc(C[N@H+]3CC[C@H](c4ccccc4)C3)nn21 ZINC000096194456 568704020 /nfs/dbraw/zinc/70/40/20/568704020.db2.gz ZMQRJTHTONOTAN-KRWDZBQOSA-N 1 1 401.495 4.589 40 0 HJABMO CCCc1ccc(C[N@H+]2C[C@H](c3ccc(OC)c(OC)c3)[C@H]3COCC[C@H]32)s1 ZINC000257221711 568782559 /nfs/dbraw/zinc/78/25/59/568782559.db2.gz DQFIHOUZDAQZHY-NJDAHSKKSA-N 1 1 401.572 4.722 40 0 HJABMO C[C@H]1C[NH+](Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)C[C@H](C)O1 ZINC000216840007 569025603 /nfs/dbraw/zinc/02/56/03/569025603.db2.gz RVQGUQMHWMEQJX-KBPBESRZSA-N 1 1 401.304 4.867 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 ZINC000012183407 569344640 /nfs/dbraw/zinc/34/46/40/569344640.db2.gz QCWKLVUBLXGGEI-RBBKRZOGSA-N 1 1 421.566 4.535 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CCCC1 ZINC000012408180 569344755 /nfs/dbraw/zinc/34/47/55/569344755.db2.gz XNKYNBCQZVBIDK-UYAOXDASSA-N 1 1 401.551 4.542 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C1CCCC1 ZINC000012408182 569344771 /nfs/dbraw/zinc/34/47/71/569344771.db2.gz XNKYNBCQZVBIDK-AZUAARDMSA-N 1 1 401.551 4.542 40 0 HJABMO COc1cccc2cc(C[N@H+]3CC[C@@H](c4cc(COc5ccccc5)[nH]n4)C3)oc21 ZINC000019704277 569347530 /nfs/dbraw/zinc/34/75/30/569347530.db2.gz QKUMSPHYZGOSRM-GOSISDBHSA-N 1 1 403.482 4.733 40 0 HJABMO COc1cccc2cc(C[N@@H+]3CC[C@@H](c4cc(COc5ccccc5)n[nH]4)C3)oc21 ZINC000019704277 569347531 /nfs/dbraw/zinc/34/75/31/569347531.db2.gz QKUMSPHYZGOSRM-GOSISDBHSA-N 1 1 403.482 4.733 40 0 HJABMO COc1cccc2cc(C[N@H+]3CC[C@@H](c4cc(COc5ccccc5)n[nH]4)C3)oc21 ZINC000019704277 569347532 /nfs/dbraw/zinc/34/75/32/569347532.db2.gz QKUMSPHYZGOSRM-GOSISDBHSA-N 1 1 403.482 4.733 40 0 HJABMO Cc1nc([C@@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1CCOc1ccccc1F ZINC000019705412 569348017 /nfs/dbraw/zinc/34/80/17/569348017.db2.gz YRNGPYZYZFVAJX-HSZRJFAPSA-N 1 1 418.578 4.828 40 0 HJABMO Fc1ccc(COc2ccccc2C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034857070 569351583 /nfs/dbraw/zinc/35/15/83/569351583.db2.gz DWLAYHBSZFEZHM-UHFFFAOYSA-N 1 1 420.553 4.898 40 0 HJABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CCCC3)n1)C2 ZINC000329023949 571304879 /nfs/dbraw/zinc/30/48/79/571304879.db2.gz OWUZYPPSSNBVHO-UHFFFAOYSA-N 1 1 418.463 5.170 40 0 HJABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936089 522760348 /nfs/dbraw/zinc/76/03/48/522760348.db2.gz YEPDFOQGCJUBHX-DENIHFKCSA-N 1 1 400.950 4.828 40 0 HJABMO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044852595 525305749 /nfs/dbraw/zinc/30/57/49/525305749.db2.gz WLLMAPLWUHCYSV-QGZVFWFLSA-N 1 1 418.940 4.583 40 0 HJABMO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000044852904 525426554 /nfs/dbraw/zinc/42/65/54/525426554.db2.gz AHGUTMLPQDVDES-QGZVFWFLSA-N 1 1 418.940 4.583 40 0 HJABMO CC[NH+]1CCN(C(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)CC1 ZINC000408573750 557476510 /nfs/dbraw/zinc/47/65/10/557476510.db2.gz KGVHUAYWNFVAIQ-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408608019 557519618 /nfs/dbraw/zinc/51/96/18/557519618.db2.gz LTVTTZADOYHOPS-AREMUKBSSA-N 1 1 410.561 4.868 40 0 HJABMO Cc1nc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753192 558272421 /nfs/dbraw/zinc/27/24/21/558272421.db2.gz RNCINCDAMATFAZ-LJQANCHMSA-N 1 1 420.944 4.723 40 0 HJABMO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039763841 558685899 /nfs/dbraw/zinc/68/58/99/558685899.db2.gz PFPZYBTYCYCCKQ-KRWDZBQOSA-N 1 1 402.941 4.829 40 0 HJABMO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030943375 558745905 /nfs/dbraw/zinc/74/59/05/558745905.db2.gz YRRDLXLCYHIDRG-FQEVSTJZSA-N 1 1 412.505 4.633 40 0 HJABMO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000038834360 558817592 /nfs/dbraw/zinc/81/75/92/558817592.db2.gz VOBBNRSEUHDKOG-UHFFFAOYSA-N 1 1 417.347 4.699 40 0 HJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1OC ZINC000038834964 558817826 /nfs/dbraw/zinc/81/78/26/558817826.db2.gz BRXXBONUGCUIRO-UHFFFAOYSA-N 1 1 423.340 4.861 40 0 HJABMO Cc1ccc(CSCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038837187 558818193 /nfs/dbraw/zinc/81/81/93/558818193.db2.gz KMXZEBDIPPFYOL-NRFANRHFSA-N 1 1 417.018 4.910 40 0 HJABMO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038853752 558819179 /nfs/dbraw/zinc/81/91/79/558819179.db2.gz QQOOAIHGSNLRFW-UHFFFAOYSA-N 1 1 421.324 4.615 40 0 HJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1 ZINC000038857333 558819423 /nfs/dbraw/zinc/81/94/23/558819423.db2.gz BZZKFGUOYPSMNS-IBGZPJMESA-N 1 1 411.977 4.534 40 0 HJABMO Cc1cc2ccncc2n1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(C)C)cc1 ZINC000019127148 558844766 /nfs/dbraw/zinc/84/47/66/558844766.db2.gz OBKXOWDLIRLHFO-XZQOPNAISA-N 1 1 419.569 4.690 40 0 HJABMO COc1ccc([C@H]2CN(C(=O)C3CCC3)[C@@H]3CC[N@@H+](Cc4cccc(C)c4)C[C@@H]32)cc1 ZINC000019235053 558854250 /nfs/dbraw/zinc/85/42/50/558854250.db2.gz OEGZIQMSWAOUEA-TWJOJJKGSA-N 1 1 418.581 4.620 40 0 HJABMO O=C(c1c[nH]nc1C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCCCCC1 ZINC000019292577 558864526 /nfs/dbraw/zinc/86/45/26/558864526.db2.gz ZXTDQWIODQWJKD-UHFFFAOYSA-N 1 1 418.944 4.598 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000019400587 558883101 /nfs/dbraw/zinc/88/31/01/558883101.db2.gz POCFLAXVMYQDQM-HYBUGGRVSA-N 1 1 421.491 4.743 40 0 HJABMO COc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)cc1 ZINC000019555479 558918316 /nfs/dbraw/zinc/91/83/16/558918316.db2.gz YZCYLUZGDDHNHF-HJOGWXRNSA-N 1 1 424.610 4.763 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000072337771 558938059 /nfs/dbraw/zinc/93/80/59/558938059.db2.gz AYRYYEHYEXSHNL-QAPCUYQASA-N 1 1 424.397 4.929 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000072337771 558938062 /nfs/dbraw/zinc/93/80/62/558938062.db2.gz AYRYYEHYEXSHNL-QAPCUYQASA-N 1 1 424.397 4.929 40 0 HJABMO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072345948 558942420 /nfs/dbraw/zinc/94/24/20/558942420.db2.gz VDTBMZDTUOATQE-QGZVFWFLSA-N 1 1 413.447 4.519 40 0 HJABMO COc1cc(/C=C/C2=CC[N@@H+](C)CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000072346472 558943295 /nfs/dbraw/zinc/94/32/95/558943295.db2.gz QNXJLERDJHDYTC-BQYQJAHWSA-N 1 1 412.917 4.641 40 0 HJABMO O=C(Nc1nccs1)c1cccc([C@@H]2CCC[N@H+]2Cc2cccc3ncccc23)n1 ZINC000072354393 558951711 /nfs/dbraw/zinc/95/17/11/558951711.db2.gz OBWNSNGPWYROSM-NRFANRHFSA-N 1 1 415.522 4.676 40 0 HJABMO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359823 558955414 /nfs/dbraw/zinc/95/54/14/558955414.db2.gz YQXZTADTPFTNIY-QGZVFWFLSA-N 1 1 415.463 4.758 40 0 HJABMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359823 558955416 /nfs/dbraw/zinc/95/54/16/558955416.db2.gz YQXZTADTPFTNIY-QGZVFWFLSA-N 1 1 415.463 4.758 40 0 HJABMO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@@H+](CCOc4ccccc4)C3)n2)c1 ZINC000072369969 558956154 /nfs/dbraw/zinc/95/61/54/558956154.db2.gz HHLPWIZSOFLNCR-INIZCTEOSA-N 1 1 403.404 4.624 40 0 HJABMO CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ccnn1C ZINC000072370755 558957247 /nfs/dbraw/zinc/95/72/47/558957247.db2.gz PNUDHIHDLYTAGP-SFHVURJKSA-N 1 1 424.614 4.760 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000019687438 558957370 /nfs/dbraw/zinc/95/73/70/558957370.db2.gz OLBSZNBETYSQDI-OAQYLSRUSA-N 1 1 424.980 4.725 40 0 HJABMO COc1ccc(CCC(=O)N2CCC[C@@H]2c2cc(Nc3nccs3)cc(C)[nH+]2)cc1 ZINC000072372541 558960132 /nfs/dbraw/zinc/96/01/32/558960132.db2.gz CGLZGLGHRIRPGX-OAQYLSRUSA-N 1 1 422.554 4.895 40 0 HJABMO CCOc1ccc(COC)cc1C[N@H+]1CCC[C@@H]1c1cc(-c2cncnc2)cc(C)n1 ZINC000019690823 558960235 /nfs/dbraw/zinc/96/02/35/558960235.db2.gz MBNNBSWUIDWZDR-XMMPIXPASA-N 1 1 418.541 4.729 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)c1C ZINC000072374960 558963402 /nfs/dbraw/zinc/96/34/02/558963402.db2.gz JNLSJIFELVHCRY-HXUWFJFHSA-N 1 1 404.562 4.741 40 0 HJABMO Fc1ccccc1OCCc1cc([C@H]2CCC[N@H+]2Cc2ccc3[nH]ccc3c2)[nH]n1 ZINC000072378358 558967533 /nfs/dbraw/zinc/96/75/33/558967533.db2.gz UPVFZBIJGZBFGI-HSZRJFAPSA-N 1 1 404.489 4.989 40 0 HJABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3cc(C)c(O)c(C)c3)cc2n1 ZINC000072389777 558970225 /nfs/dbraw/zinc/97/02/25/558970225.db2.gz HPNYDBYAFCACDP-KRWDZBQOSA-N 1 1 404.436 4.716 40 0 HJABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3cc(C)c(O)c(C)c3)cc2n1 ZINC000072389777 558970228 /nfs/dbraw/zinc/97/02/28/558970228.db2.gz HPNYDBYAFCACDP-KRWDZBQOSA-N 1 1 404.436 4.716 40 0 HJABMO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019709313 558971540 /nfs/dbraw/zinc/97/15/40/558971540.db2.gz NRQYYAQKVYNRLW-DEOSSOPVSA-N 1 1 421.491 4.935 40 0 HJABMO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(C(C)C)cc2)on1 ZINC000072395065 558973834 /nfs/dbraw/zinc/97/38/34/558973834.db2.gz AERHCBWOXABGBK-ILBGXUMGSA-N 1 1 405.542 4.761 40 0 HJABMO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100420 559023979 /nfs/dbraw/zinc/02/39/79/559023979.db2.gz UWTCQTCSJNFMHY-DEOSSOPVSA-N 1 1 416.487 4.694 40 0 HJABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC000096071327 559094364 /nfs/dbraw/zinc/09/43/64/559094364.db2.gz UWEJYIINOUUCJK-QHCPKHFHSA-N 1 1 400.925 4.679 40 0 HJABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCCCC3)[nH+]c2C)cc1 ZINC000072219319 559169675 /nfs/dbraw/zinc/16/96/75/559169675.db2.gz HMYSEZGPDUBMSD-QFIPXVFZSA-N 1 1 413.587 4.605 40 0 HJABMO COc1ccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000113952722 559182955 /nfs/dbraw/zinc/18/29/55/559182955.db2.gz RBEBTJQWUYHZFC-UHFFFAOYSA-N 1 1 407.341 4.530 40 0 HJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3cccc(C)c3)C2)cc1 ZINC000072359046 559186106 /nfs/dbraw/zinc/18/61/06/559186106.db2.gz RJUPSXLYFDWKGR-QFIPXVFZSA-N 1 1 400.526 4.790 40 0 HJABMO C[C@H]1[C@H]2CC[C@@H](C)C[N@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@@H]12 ZINC000118915634 559205439 /nfs/dbraw/zinc/20/54/39/559205439.db2.gz AANKDJLVHZQCFG-CSFJKFLYSA-N 1 1 413.646 4.626 40 0 in-vitro HJABMO OCc1ccccc1C[N@@H+](Cc1ccccc1)Cc1cccc(Oc2ncccn2)c1 ZINC000257324253 559283199 /nfs/dbraw/zinc/28/31/99/559283199.db2.gz WNVUTSJLWJTKOR-UHFFFAOYSA-N 1 1 411.505 4.964 40 0 HJABMO C[N@@H+]1[C@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccc(F)cc3)C[C@@H]1CC2 ZINC000000848778 559288961 /nfs/dbraw/zinc/28/89/61/559288961.db2.gz GGHRAFZJZACSIF-RTWAWAEBSA-N 1 1 403.501 4.742 40 0 HJABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](CC2CCCCC2)CC[C@@]1(C)O ZINC000514290021 560030789 /nfs/dbraw/zinc/03/07/89/560030789.db2.gz VALOAXHMDXHLGC-QNWVGRARSA-N 1 1 406.636 4.747 40 0 biogenic,in-vitro HJABMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000005625535 560627968 /nfs/dbraw/zinc/62/79/68/560627968.db2.gz QCZLXSRMIFHJMU-UHFFFAOYSA-N 1 1 410.949 4.905 40 0 HJABMO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000409414568 560723325 /nfs/dbraw/zinc/72/33/25/560723325.db2.gz MUMOMJJBRFKSKD-RZRCNZQPSA-N 1 1 409.961 4.857 40 0 HJABMO CC1(C)C[C@]2(CCC[NH+](CCC[N@@H+]3CCC[C@@]4(CCOC(C)(C)C4)C3)C2)CCO1 ZINC000013424566 560811248 /nfs/dbraw/zinc/81/12/48/560811248.db2.gz SWVWVYHFWXGIGF-DQEYMECFSA-N 1 1 406.655 4.719 40 0 HJABMO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@H+]3CCC[C@H](C)C3)cc1)CC(C)(C)O2 ZINC000260577984 560870508 /nfs/dbraw/zinc/87/05/08/560870508.db2.gz RLBRFBLRJFYDAH-MBSDFSHPSA-N 1 1 422.569 4.959 40 0 HJABMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c1 ZINC000005162904 568441847 /nfs/dbraw/zinc/44/18/47/568441847.db2.gz KTVXTLHHFMATLT-ZODMCCGTSA-N 1 1 410.533 4.749 40 0 HJABMO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c1 ZINC000005162904 568441848 /nfs/dbraw/zinc/44/18/48/568441848.db2.gz KTVXTLHHFMATLT-ZODMCCGTSA-N 1 1 410.533 4.749 40 0 HJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)C1 ZINC000223547664 568551444 /nfs/dbraw/zinc/55/14/44/568551444.db2.gz LBJYCKTZCYFQMP-FQEVSTJZSA-N 1 1 402.538 4.881 40 0 HJABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000224542662 568584358 /nfs/dbraw/zinc/58/43/58/568584358.db2.gz MKOSEHCCSIACRC-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225451354 568638874 /nfs/dbraw/zinc/63/88/74/568638874.db2.gz WUOOTHURIPCNDT-UHFFFAOYSA-N 1 1 406.555 4.989 40 0 HJABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)cc1 ZINC000225583493 568654207 /nfs/dbraw/zinc/65/42/07/568654207.db2.gz LJNSICWJMBKQJA-QFIPXVFZSA-N 1 1 418.940 4.967 40 0 HJABMO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225586599 568654863 /nfs/dbraw/zinc/65/48/63/568654863.db2.gz GEWPUMLROQLESF-KRWDZBQOSA-N 1 1 418.940 4.583 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225636761 568658945 /nfs/dbraw/zinc/65/89/45/568658945.db2.gz WYOVNAMKXAJKJT-JXALWOEJSA-N 1 1 402.579 4.864 40 0 HJABMO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCC1 ZINC000225654838 568660617 /nfs/dbraw/zinc/66/06/17/568660617.db2.gz HRAXQZMRMFMLKH-BGYRXZFFSA-N 1 1 402.579 4.721 40 0 HJABMO Cc1ccc(-c2nnc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)s2)cc1 ZINC000260769932 568738305 /nfs/dbraw/zinc/73/83/05/568738305.db2.gz SSBHPWLCOWUQSG-KRWDZBQOSA-N 1 1 406.555 4.998 40 0 HJABMO Cc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1Cl ZINC000260888409 568742645 /nfs/dbraw/zinc/74/26/45/568742645.db2.gz NFBGSJSNVXREAX-KRWDZBQOSA-N 1 1 400.950 4.689 40 0 HJABMO Cc1[nH+]ccn1-c1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)cc1 ZINC000257218360 568781355 /nfs/dbraw/zinc/78/13/55/568781355.db2.gz DCVVIJQKMDYUBQ-CGYAQOIHSA-N 1 1 421.585 4.835 40 0 HJABMO Cc1cccc(Nc2ccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)nc2)n1 ZINC000257248611 568789929 /nfs/dbraw/zinc/78/99/29/568789929.db2.gz JELDBVKAXOMFQW-DEOSSOPVSA-N 1 1 411.509 4.650 40 0 HJABMO Cc1cccc(Nc2ccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)nc2)n1 ZINC000257248611 568789931 /nfs/dbraw/zinc/78/99/31/568789931.db2.gz JELDBVKAXOMFQW-DEOSSOPVSA-N 1 1 411.509 4.650 40 0 HJABMO CC(C)[N@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccc4ncccc4c3)c2)C1 ZINC000257264543 568793993 /nfs/dbraw/zinc/79/39/93/568793993.db2.gz LUXQBGCXUSIEGZ-NRFANRHFSA-N 1 1 412.541 4.830 40 0 HJABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257278542 568798156 /nfs/dbraw/zinc/79/81/56/568798156.db2.gz OCQOVHDSJUJJIF-LJQANCHMSA-N 1 1 424.589 4.511 40 0 HJABMO CCn1c(C[N@H+]2CC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)nc2ccccc21 ZINC000257287097 568800750 /nfs/dbraw/zinc/80/07/50/568800750.db2.gz POMXOROOVIRAGU-KRWDZBQOSA-N 1 1 418.570 4.949 40 0 HJABMO Cc1csc(Nc2cccc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)n1 ZINC000257323734 568811482 /nfs/dbraw/zinc/81/14/82/568811482.db2.gz WLQBWVFTGVEJIA-OAQYLSRUSA-N 1 1 417.538 4.712 40 0 HJABMO Cc1csc(Nc2cccc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)n1 ZINC000257323734 568811484 /nfs/dbraw/zinc/81/14/84/568811484.db2.gz WLQBWVFTGVEJIA-OAQYLSRUSA-N 1 1 417.538 4.712 40 0 HJABMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257330112 568813227 /nfs/dbraw/zinc/81/32/27/568813227.db2.gz XMWYNYJCJUPJBD-QPXQOZNCSA-N 1 1 413.562 4.735 40 0 HJABMO CC(C)n1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306130630 568893042 /nfs/dbraw/zinc/89/30/42/568893042.db2.gz JLNMDLPSEZSXKX-OAQYLSRUSA-N 1 1 418.520 4.692 40 0 HJABMO COc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)CC2 ZINC000328992523 568971559 /nfs/dbraw/zinc/97/15/59/568971559.db2.gz IWIPVOFETRBTLH-UHFFFAOYSA-N 1 1 416.525 4.546 40 0 HJABMO COc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)CC2 ZINC000328992523 568971562 /nfs/dbraw/zinc/97/15/62/568971562.db2.gz IWIPVOFETRBTLH-UHFFFAOYSA-N 1 1 416.525 4.546 40 0 HJABMO O=C(c1cn(CCCCCF)c2ccccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000575598571 569031832 /nfs/dbraw/zinc/03/18/32/569031832.db2.gz WHHDMGMJHFYVEK-UHFFFAOYSA-N 1 1 407.533 4.739 40 0 in-vitro HJABMO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@H]3C[N@H+]2C1 ZINC000070707812 569057219 /nfs/dbraw/zinc/05/72/19/569057219.db2.gz NEMWYOKGHGSVSC-VEQVJXMCSA-N 1 1 415.662 4.563 40 0 HJABMO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]54C)[C@@H]3C[N@H+]2C1 ZINC000252461636 569286759 /nfs/dbraw/zinc/28/67/59/569286759.db2.gz NEMWYOKGHGSVSC-AGSGSVLHSA-N 1 1 415.662 4.563 40 0 biogenic HJABMO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@H+]2C1 ZINC000252461638 569286804 /nfs/dbraw/zinc/28/68/04/569286804.db2.gz NEMWYOKGHGSVSC-ORPUPVDGSA-N 1 1 415.662 4.563 40 0 biogenic HJABMO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+]([C@H](C)Cc4ccc(F)cc4)C3)cc2n1 ZINC000252077229 569317266 /nfs/dbraw/zinc/31/72/66/569317266.db2.gz CZBRAZBQHFURHJ-ZBFHGGJFSA-N 1 1 420.454 4.870 40 0 HJABMO COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044937211 569352089 /nfs/dbraw/zinc/35/20/89/569352089.db2.gz XSQROISHEKNCPW-URXFXBBRSA-N 1 1 412.549 4.950 40 0 HJABMO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@H+]2C1 ZINC000070707807 569352489 /nfs/dbraw/zinc/35/24/89/569352489.db2.gz NEMWYOKGHGSVSC-NRJMKECVSA-N 1 1 415.662 4.563 40 0 HJABMO COC(=O)c1cccc2nc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)oc21 ZINC000035446964 291275745 /nfs/dbraw/zinc/27/57/45/291275745.db2.gz DWYVWHMOLKXAHK-AWEZNQCLSA-N 1 1 404.388 4.623 40 0 biogenic,in-vitro HJABMO CC(C)Oc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044882533 519783189 /nfs/dbraw/zinc/78/31/89/519783189.db2.gz NCKINWCCLHQNOH-HXUWFJFHSA-N 1 1 400.950 4.656 40 0 HJABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936367 522365936 /nfs/dbraw/zinc/36/59/36/522365936.db2.gz NIIUHZXZVSTRNF-QFIPXVFZSA-N 1 1 418.940 4.967 40 0 HJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000044901844 527372406 /nfs/dbraw/zinc/37/24/06/527372406.db2.gz PEPLQCUIIZDBDM-UHFFFAOYSA-N 1 1 422.532 4.673 40 0 HJABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000408572256 557469480 /nfs/dbraw/zinc/46/94/80/557469480.db2.gz FWFITXXBTRKRFK-UHFFFAOYSA-N 1 1 409.382 4.885 40 0 HJABMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000007875178 557766186 /nfs/dbraw/zinc/76/61/86/557766186.db2.gz NCYFLFDWXDFXSY-UHFFFAOYSA-N 1 1 407.297 4.573 40 0 HJABMO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000007875037 557766195 /nfs/dbraw/zinc/76/61/95/557766195.db2.gz GHKMELGVOZLEJX-UHFFFAOYSA-N 1 1 407.297 4.573 40 0 HJABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753200 558272559 /nfs/dbraw/zinc/27/25/59/558272559.db2.gz CVVBBSGWZFXDSW-QGZVFWFLSA-N 1 1 424.907 4.819 40 0 HJABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2oc3ccc(C)cc3c2C)n1 ZINC000012186027 558345166 /nfs/dbraw/zinc/34/51/66/558345166.db2.gz GMWNYRLGFSATEZ-FQEVSTJZSA-N 1 1 407.514 4.519 40 0 HJABMO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030946094 558746169 /nfs/dbraw/zinc/74/61/69/558746169.db2.gz SRHWQESZUAZFKL-SFHVURJKSA-N 1 1 421.368 4.873 40 0 HJABMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030944207 558746178 /nfs/dbraw/zinc/74/61/78/558746178.db2.gz IYYAKEZLNGMNJO-HSZRJFAPSA-N 1 1 402.513 4.944 40 0 HJABMO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000030944075 558746189 /nfs/dbraw/zinc/74/61/89/558746189.db2.gz VUIAZOAXNMYNOC-UHFFFAOYSA-N 1 1 407.396 4.890 40 0 HJABMO O=C(C1CC[NH+](Cc2ccc(Br)cc2)CC1)N1CCCc2ccccc21 ZINC000030946799 558746435 /nfs/dbraw/zinc/74/64/35/558746435.db2.gz NUSLMQABGNVMML-UHFFFAOYSA-N 1 1 413.359 4.641 40 0 HJABMO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038834540 558817587 /nfs/dbraw/zinc/81/75/87/558817587.db2.gz PJTUCCFYYDRLND-UHFFFAOYSA-N 1 1 421.324 4.631 40 0 HJABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000019081946 558840052 /nfs/dbraw/zinc/84/00/52/558840052.db2.gz GOQUGZPRCNEZDO-RDPSFJRHSA-N 1 1 416.569 4.745 40 0 HJABMO Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2cccc(OC(C)C)c2)on1 ZINC000019122528 558843714 /nfs/dbraw/zinc/84/37/14/558843714.db2.gz NIIPEZZHKQONCO-NRFANRHFSA-N 1 1 421.545 4.630 40 0 HJABMO COc1ccc(-c2ncc(C[NH2+][C@@H](Cc3ccsc3)c3ccc(C)cn3)cn2)cc1 ZINC000019215631 558850053 /nfs/dbraw/zinc/85/00/53/558850053.db2.gz SPYAVLKHOOBYKD-QHCPKHFHSA-N 1 1 416.550 4.991 40 0 HJABMO OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC000019292826 558864570 /nfs/dbraw/zinc/86/45/70/558864570.db2.gz DJDIFVMYVHWIBW-VSOVRNOCSA-N 1 1 416.352 4.901 40 0 HJABMO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](C2CCCC2)C1 ZINC000019447316 558886471 /nfs/dbraw/zinc/88/64/71/558886471.db2.gz RJIPUERLYCGXHS-SANMLTNESA-N 1 1 405.586 4.698 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449566 558888006 /nfs/dbraw/zinc/88/80/06/558888006.db2.gz WXRSGCCTDRYSMQ-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2n1 ZINC000019452284 558890143 /nfs/dbraw/zinc/89/01/43/558890143.db2.gz IPERPZIYARYTCB-MRXNPFEDSA-N 1 1 403.452 4.646 40 0 HJABMO COc1cc2c(cc1C[NH2+][C@H](Cc1cccs1)c1nc(C)c(C)s1)OCO2 ZINC000019559630 558920936 /nfs/dbraw/zinc/92/09/36/558920936.db2.gz WRJQEDVZVLWWLE-MRXNPFEDSA-N 1 1 402.541 4.632 40 0 HJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000072330463 558934748 /nfs/dbraw/zinc/93/47/48/558934748.db2.gz DEONCXUXOAKGMU-NVQXNPDNSA-N 1 1 417.528 4.533 40 0 HJABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000072346263 558943170 /nfs/dbraw/zinc/94/31/70/558943170.db2.gz XKDBJHDMBWXGLR-IBGZPJMESA-N 1 1 401.489 4.726 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)cn1 ZINC000072349993 558946949 /nfs/dbraw/zinc/94/69/49/558946949.db2.gz RXFSJXRKCKEWKL-LJQANCHMSA-N 1 1 414.475 4.804 40 0 HJABMO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359140 558954761 /nfs/dbraw/zinc/95/47/61/558954761.db2.gz ONLLJUOVVKTTIK-QGZVFWFLSA-N 1 1 415.463 4.758 40 0 HJABMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359140 558954763 /nfs/dbraw/zinc/95/47/63/558954763.db2.gz ONLLJUOVVKTTIK-QGZVFWFLSA-N 1 1 415.463 4.758 40 0 HJABMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cn1 ZINC000019688437 558957931 /nfs/dbraw/zinc/95/79/31/558957931.db2.gz CDNHXXGDSRPJMK-OAQYLSRUSA-N 1 1 400.448 4.762 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cn1 ZINC000019688437 558957934 /nfs/dbraw/zinc/95/79/34/558957934.db2.gz CDNHXXGDSRPJMK-OAQYLSRUSA-N 1 1 400.448 4.762 40 0 HJABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c1C ZINC000072372456 558959884 /nfs/dbraw/zinc/95/98/84/558959884.db2.gz PYVUFQDQGZLVTM-RUZDIDTESA-N 1 1 404.558 4.851 40 0 HJABMO CCn1cc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c(C)n1 ZINC000019694345 558962743 /nfs/dbraw/zinc/96/27/43/558962743.db2.gz LLAUMXMLTMZYAY-JOCHJYFZSA-N 1 1 422.552 4.601 40 0 HJABMO COc1cccc(OC)c1C[N@@H+]1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375505 558964253 /nfs/dbraw/zinc/96/42/53/558964253.db2.gz AZFNNJGWIBDMDH-SFHVURJKSA-N 1 1 410.543 4.944 40 0 HJABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 ZINC000072375505 558964254 /nfs/dbraw/zinc/96/42/54/558964254.db2.gz AZFNNJGWIBDMDH-SFHVURJKSA-N 1 1 410.543 4.944 40 0 HJABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)cc1CO ZINC000072375814 558964835 /nfs/dbraw/zinc/96/48/35/558964835.db2.gz VDVIIUIFCAMUDZ-QFIPXVFZSA-N 1 1 418.541 4.757 40 0 HJABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c3cccnc3[nH]c2C(C)(C)C)cc1 ZINC000072393634 558972958 /nfs/dbraw/zinc/97/29/58/558972958.db2.gz LQNOUHLSVPDEEH-ULZZTYQWSA-N 1 1 419.569 4.884 40 0 HJABMO COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000072398604 558975999 /nfs/dbraw/zinc/97/59/99/558975999.db2.gz WWQFYTGAMRRHEE-RDPSFJRHSA-N 1 1 423.601 4.823 40 0 HJABMO COc1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257223406 559283651 /nfs/dbraw/zinc/28/36/51/559283651.db2.gz DXFKPBUKQNVWJU-SANMLTNESA-N 1 1 411.505 4.879 40 0 HJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1)NC12CC3CC(CC(C3)C1)C2 ZINC000004883332 560614820 /nfs/dbraw/zinc/61/48/20/560614820.db2.gz GABXTSZTXMEAEK-UKBGNOBASA-N 1 1 413.631 4.902 40 0 HJABMO CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000219242575 568488526 /nfs/dbraw/zinc/48/85/26/568488526.db2.gz XLOFEZDWNZROTN-KRWDZBQOSA-N 1 1 424.570 4.692 40 0 HJABMO O=C(NCCOc1ccc2ccccc2c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223637714 568554371 /nfs/dbraw/zinc/55/43/71/568554371.db2.gz UBXGJKPQTQIBBR-QFIPXVFZSA-N 1 1 422.956 4.900 40 0 HJABMO CC(C)Sc1nnc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)s1 ZINC000224232168 568574660 /nfs/dbraw/zinc/57/46/60/568574660.db2.gz UVKCZRMXVLYPCM-UHFFFAOYSA-N 1 1 424.595 4.849 40 0 HJABMO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)c1 ZINC000224540664 568584296 /nfs/dbraw/zinc/58/42/96/568584296.db2.gz DZDCMFILPZBNNC-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO CC(C)Sc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)s1 ZINC000224605508 568587582 /nfs/dbraw/zinc/58/75/82/568587582.db2.gz DGMNOTDHMQDKLN-CQSZACIVSA-N 1 1 410.996 4.543 40 0 HJABMO CC(C)Sc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)s1 ZINC000224605508 568587584 /nfs/dbraw/zinc/58/75/84/568587584.db2.gz DGMNOTDHMQDKLN-CQSZACIVSA-N 1 1 410.996 4.543 40 0 HJABMO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224926795 568604463 /nfs/dbraw/zinc/60/44/63/568604463.db2.gz LUBHDZDOYKAGPZ-UHFFFAOYSA-N 1 1 415.940 4.930 40 0 HJABMO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000225393133 568633725 /nfs/dbraw/zinc/63/37/25/568633725.db2.gz RVGOPNQPJSAMPR-UHFFFAOYSA-N 1 1 415.430 4.997 40 0 HJABMO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225688883 568664390 /nfs/dbraw/zinc/66/43/90/568664390.db2.gz XEQZWZBCQYAAAV-ROKPMTFOSA-N 1 1 404.595 4.823 40 0 HJABMO CCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225715202 568667084 /nfs/dbraw/zinc/66/70/84/568667084.db2.gz GWWAIPLRLWPOJE-YOSAUDMPSA-N 1 1 402.579 4.721 40 0 HJABMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)C1 ZINC000225780098 568674196 /nfs/dbraw/zinc/67/41/96/568674196.db2.gz RMDJRQMKYRIOFK-SFHVURJKSA-N 1 1 400.950 4.771 40 0 HJABMO COc1cccc(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000225907700 568685104 /nfs/dbraw/zinc/68/51/04/568685104.db2.gz YMWJZKFUKVEKSH-MRXNPFEDSA-N 1 1 407.341 4.877 40 0 HJABMO COc1ccc(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225907630 568685150 /nfs/dbraw/zinc/68/51/50/568685150.db2.gz AHBJVOWWYUBYJZ-INIZCTEOSA-N 1 1 407.341 4.877 40 0 HJABMO O=C(C[NH+]1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1)Nc1ccc(F)cc1 ZINC000257228704 568784520 /nfs/dbraw/zinc/78/45/20/568784520.db2.gz FUXCTHKIAUIZHD-UHFFFAOYSA-N 1 1 421.491 4.769 40 0 HJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3ccccc3)n2)c1 ZINC000257261389 568793305 /nfs/dbraw/zinc/79/33/05/568793305.db2.gz LHCBPTHMRIBIQJ-XMMPIXPASA-N 1 1 423.520 4.674 40 0 HJABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](Cc3cccnc3)[C@H]1CCCCC(=O)N2 ZINC000257285412 568800039 /nfs/dbraw/zinc/80/00/39/568800039.db2.gz PGZHXHCOZVGJBG-ONTIZHBOSA-N 1 1 417.475 4.865 40 0 HJABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](Cc3cccnc3)[C@H]1CCCCC(=O)N2 ZINC000257285412 568800041 /nfs/dbraw/zinc/80/00/41/568800041.db2.gz PGZHXHCOZVGJBG-ONTIZHBOSA-N 1 1 417.475 4.865 40 0 HJABMO COc1ccc(-c2cccc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257300551 568804652 /nfs/dbraw/zinc/80/46/52/568804652.db2.gz RUSHOKXZCAOYBD-SANMLTNESA-N 1 1 411.505 4.879 40 0 HJABMO COc1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)cc1 ZINC000257300551 568804654 /nfs/dbraw/zinc/80/46/54/568804654.db2.gz RUSHOKXZCAOYBD-SANMLTNESA-N 1 1 411.505 4.879 40 0 HJABMO COc1ccc(Nc2cc(C)nc([C@@H]3CC[N@@H+](Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319432 568810335 /nfs/dbraw/zinc/81/03/35/568810335.db2.gz VSNFKOHYEHFZON-LJQANCHMSA-N 1 1 417.557 4.593 40 0 HJABMO O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199331 569059034 /nfs/dbraw/zinc/05/90/34/569059034.db2.gz ZXJAOWMVDHPZJN-MIUUGJTFSA-N 1 1 403.570 4.522 40 0 HJABMO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@H]3C[N@H+]2C1 ZINC000252461639 569286832 /nfs/dbraw/zinc/28/68/32/569286832.db2.gz NEMWYOKGHGSVSC-PMIGCPTASA-N 1 1 415.662 4.563 40 0 biogenic HJABMO COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000019567292 569345664 /nfs/dbraw/zinc/34/56/64/569345664.db2.gz WWQFYTGAMRRHEE-HYBUGGRVSA-N 1 1 423.601 4.823 40 0 HJABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856872 569352052 /nfs/dbraw/zinc/35/20/52/569352052.db2.gz IEYUBCLSROTVNP-PGRDOPGGSA-N 1 1 410.558 4.817 40 0 HJABMO Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(OC(F)(F)F)cc4)C3)o2)cc1 ZINC000049169886 291279574 /nfs/dbraw/zinc/27/95/74/291279574.db2.gz GOSJBPRUNRYIKR-KRWDZBQOSA-N 1 1 403.404 4.933 40 0 biogenic,in-vitro HJABMO CC(C)Oc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044882536 519783223 /nfs/dbraw/zinc/78/32/23/519783223.db2.gz NCKINWCCLHQNOH-FQEVSTJZSA-N 1 1 400.950 4.656 40 0 HJABMO CCC(C)(C)n1nnnc1[C@H](c1cccs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020098283 521373328 /nfs/dbraw/zinc/37/33/28/521373328.db2.gz BBOGMAUAIWZMEI-NRFANRHFSA-N 1 1 409.603 4.924 40 0 HJABMO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044852597 525309986 /nfs/dbraw/zinc/30/99/86/525309986.db2.gz WLLMAPLWUHCYSV-KRWDZBQOSA-N 1 1 418.940 4.583 40 0 HJABMO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044933038 526913809 /nfs/dbraw/zinc/91/38/09/526913809.db2.gz ONCXJDCTTPHSQZ-JOCHJYFZSA-N 1 1 400.925 4.885 40 0 HJABMO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000034701737 557016331 /nfs/dbraw/zinc/01/63/31/557016331.db2.gz JXSIXESCLOWLKG-JOCHJYFZSA-N 1 1 414.549 4.696 40 0 HJABMO OC(CNc1ccnc2cc(Cl)ccc21)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001686975 557280808 /nfs/dbraw/zinc/28/08/08/557280808.db2.gz ALJKMVZFTOFZCQ-UHFFFAOYSA-N 1 1 413.308 4.975 40 0 HJABMO COc1cccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019842697 558294618 /nfs/dbraw/zinc/29/46/18/558294618.db2.gz HCGQGBSUDGSBIO-UHFFFAOYSA-N 1 1 402.563 4.778 40 0 HJABMO CC(C)c1cc(C(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)no1 ZINC000012088138 558322831 /nfs/dbraw/zinc/32/28/31/558322831.db2.gz HROUOTWZSBMFPD-MRXNPFEDSA-N 1 1 409.534 4.676 40 0 HJABMO COCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)cc1 ZINC000012088132 558322900 /nfs/dbraw/zinc/32/29/00/558322900.db2.gz WVOXLZPDUSHBIT-HXUWFJFHSA-N 1 1 420.557 4.711 40 0 HJABMO c1ccc(C[N@H+]2CC[C@@H](NCc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1 ZINC000012113170 558326807 /nfs/dbraw/zinc/32/68/07/558326807.db2.gz KXBHLDGIMNJBAC-BJKOFHAPSA-N 1 1 400.522 4.563 40 0 HJABMO c1ccc(C[N@@H+]2CC[C@@H](NCc3ccc4c(c3)OCO4)[C@H](c3ccccc3)C2)cc1 ZINC000012113170 558326809 /nfs/dbraw/zinc/32/68/09/558326809.db2.gz KXBHLDGIMNJBAC-BJKOFHAPSA-N 1 1 400.522 4.563 40 0 HJABMO COc1ccc(C[N@H+](Cc2ccc(C)o2)C[C@H]2CCCO2)cc1Cn1nc(C)cc1C ZINC000012187440 558346326 /nfs/dbraw/zinc/34/63/26/558346326.db2.gz WAQXMBCNSIPTQW-HSZRJFAPSA-N 1 1 423.557 4.639 40 0 HJABMO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030946102 558746226 /nfs/dbraw/zinc/74/62/26/558746226.db2.gz QGTFZXOYXNOATN-QGZVFWFLSA-N 1 1 421.368 4.873 40 0 HJABMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000036464859 558800020 /nfs/dbraw/zinc/80/00/20/558800020.db2.gz PPFKRTZMELQWGK-UHFFFAOYSA-N 1 1 421.368 4.573 40 0 HJABMO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038834764 558817805 /nfs/dbraw/zinc/81/78/05/558817805.db2.gz ZULJKLRUQWNWCW-HNNXBMFYSA-N 1 1 423.340 4.861 40 0 HJABMO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038834764 558817807 /nfs/dbraw/zinc/81/78/07/558817807.db2.gz ZULJKLRUQWNWCW-HNNXBMFYSA-N 1 1 423.340 4.861 40 0 HJABMO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000038835332 558817934 /nfs/dbraw/zinc/81/79/34/558817934.db2.gz NDWKQUBUHHXDBX-UHFFFAOYSA-N 1 1 401.348 4.862 40 0 HJABMO O=C(NCCSCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038848545 558818361 /nfs/dbraw/zinc/81/83/61/558818361.db2.gz JDTGIFPLIHJTAG-IBGZPJMESA-N 1 1 420.981 4.741 40 0 HJABMO O=C(Nc1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038853749 558819275 /nfs/dbraw/zinc/81/92/75/558819275.db2.gz GYTFCTDUEGRMJH-UHFFFAOYSA-N 1 1 421.324 4.615 40 0 HJABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000019239786 558858475 /nfs/dbraw/zinc/85/84/75/558858475.db2.gz IGOBVXQWDYTMOJ-QFIPXVFZSA-N 1 1 423.511 4.918 40 0 HJABMO Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000019239786 558858478 /nfs/dbraw/zinc/85/84/78/558858478.db2.gz IGOBVXQWDYTMOJ-QFIPXVFZSA-N 1 1 423.511 4.918 40 0 HJABMO O=C(c1ccccc1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000019368943 558877688 /nfs/dbraw/zinc/87/76/88/558877688.db2.gz CSERHFHHMBDRNP-YPAWHYETSA-N 1 1 408.592 4.940 40 0 HJABMO O=C(c1ccccc1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019368940 558877749 /nfs/dbraw/zinc/87/77/49/558877749.db2.gz KBGCYSPYFFSAJA-YPAWHYETSA-N 1 1 408.592 4.940 40 0 HJABMO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019370920 558878985 /nfs/dbraw/zinc/87/89/85/558878985.db2.gz TWANSWJNDYJRDR-WIOPSUGQSA-N 1 1 419.594 4.845 40 0 HJABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019405006 558884625 /nfs/dbraw/zinc/88/46/25/558884625.db2.gz CKSRYFQRHKEEQM-VABKMULXSA-N 1 1 409.599 4.654 40 0 HJABMO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CC[N@@H+](Cc2ccncc2)C1 ZINC000019449623 558888282 /nfs/dbraw/zinc/88/82/82/558888282.db2.gz XXCAYAVYCCBPKR-RUZDIDTESA-N 1 1 419.594 4.770 40 0 HJABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)no2)CC1 ZINC000019496748 558895630 /nfs/dbraw/zinc/89/56/30/558895630.db2.gz LZFUJYCOVZAANP-GOSISDBHSA-N 1 1 401.938 4.580 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000072330502 558934766 /nfs/dbraw/zinc/93/47/66/558934766.db2.gz OTUMIUCTZRIJTC-YKSBVNFPSA-N 1 1 421.491 4.743 40 0 HJABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000072341440 558939757 /nfs/dbraw/zinc/93/97/57/558939757.db2.gz MHLJWTHDLJMNJQ-UNMCSNQZSA-N 1 1 421.566 4.535 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072349966 558946956 /nfs/dbraw/zinc/94/69/56/558946956.db2.gz HJYMUBYBIWVZGP-SFHVURJKSA-N 1 1 400.448 4.881 40 0 HJABMO CCn1cc(C[N@H+]2CCC[C@@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1 ZINC000072354107 558951464 /nfs/dbraw/zinc/95/14/64/558951464.db2.gz CKMKWQJKWPNWBJ-HSZRJFAPSA-N 1 1 418.585 4.894 40 0 HJABMO Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)n1 ZINC000072354200 558951577 /nfs/dbraw/zinc/95/15/77/558951577.db2.gz QEDNORIJDFIUSB-HSZRJFAPSA-N 1 1 416.569 4.707 40 0 HJABMO COc1cccc(C(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)c1 ZINC000072372466 558959945 /nfs/dbraw/zinc/95/99/45/558959945.db2.gz HUNSMGBVVXBBNB-QFIPXVFZSA-N 1 1 417.513 4.526 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)c2cc(F)ccc21 ZINC000072376095 558965147 /nfs/dbraw/zinc/96/51/47/558965147.db2.gz ZCXOZFQRXMMURS-KRWDZBQOSA-N 1 1 416.504 4.626 40 0 HJABMO CC1(C)Cc2cc(C[N@@H+]3CCC[C@H]3c3cncc(Nc4ccccn4)n3)ccc2O1 ZINC000072376398 558965610 /nfs/dbraw/zinc/96/56/10/558965610.db2.gz WBYJBXVYAPNIRI-FQEVSTJZSA-N 1 1 401.514 4.666 40 0 HJABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@H]3c3cncc(Nc4ccccn4)n3)ccc2O1 ZINC000072376398 558965612 /nfs/dbraw/zinc/96/56/12/558965612.db2.gz WBYJBXVYAPNIRI-FQEVSTJZSA-N 1 1 401.514 4.666 40 0 HJABMO Cc1nc([C@H]2CCC[N@H+]2Cc2cccc(F)c2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019709328 558971437 /nfs/dbraw/zinc/97/14/37/558971437.db2.gz FZMCRJUOKNPWTB-XMMPIXPASA-N 1 1 421.491 4.935 40 0 HJABMO 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O=C(Nc1ccccc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044915863 527410163 /nfs/dbraw/zinc/41/01/63/527410163.db2.gz RAIKXAYWZTXYDR-UHFFFAOYSA-N 1 1 416.496 4.907 40 0 HJABMO O=C(Nc1ccccc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044915867 527410992 /nfs/dbraw/zinc/41/09/92/527410992.db2.gz YGFDIUGNRZPNLS-UHFFFAOYSA-N 1 1 416.496 4.907 40 0 HJABMO C[C@H](C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000036719523 557850050 /nfs/dbraw/zinc/85/00/50/557850050.db2.gz AMPDDSIZYOYEQN-CBQOVEMMSA-N 1 1 420.582 4.525 40 0 HJABMO COc1ccc(CC[N@@H+](Cc2c[nH]c3ccccc23)Cc2ccncc2)cc1OC ZINC000012118077 558329545 /nfs/dbraw/zinc/32/95/45/558329545.db2.gz GCIDDAJRMKHJPO-UHFFFAOYSA-N 1 1 401.510 4.825 40 0 HJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000012408205 558399223 /nfs/dbraw/zinc/39/92/23/558399223.db2.gz JUNUIEZXUONSIU-PZJWPPBQSA-N 1 1 409.530 4.666 40 0 HJABMO COc1cc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1OC(C)C ZINC000030860111 558741647 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ZINC000019081773 558839796 /nfs/dbraw/zinc/83/97/96/558839796.db2.gz MFADXOOQCKMLBA-KTOXQQQISA-N 1 1 421.585 4.719 40 0 HJABMO COc1ccc(C)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccncc1 ZINC000019133579 558845848 /nfs/dbraw/zinc/84/58/48/558845848.db2.gz DUJVKJIZLOUFLE-RUZDIDTESA-N 1 1 404.510 4.564 40 0 HJABMO COc1ccc(C)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccncc1 ZINC000019133579 558845850 /nfs/dbraw/zinc/84/58/50/558845850.db2.gz DUJVKJIZLOUFLE-RUZDIDTESA-N 1 1 404.510 4.564 40 0 HJABMO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019236810 558855882 /nfs/dbraw/zinc/85/58/82/558855882.db2.gz XOXJGZHJMGRMII-SGIRGMQISA-N 1 1 403.570 4.929 40 0 HJABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1 ZINC000019292906 558864764 /nfs/dbraw/zinc/86/47/64/558864764.db2.gz NHPOBINKBGFEDW-HNNXBMFYSA-N 1 1 408.329 4.597 40 0 HJABMO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1 ZINC000019292906 558864767 /nfs/dbraw/zinc/86/47/67/558864767.db2.gz NHPOBINKBGFEDW-HNNXBMFYSA-N 1 1 408.329 4.597 40 0 HJABMO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293883 558865421 /nfs/dbraw/zinc/86/54/21/558865421.db2.gz MAIMAKIQOATCKX-VABKMULXSA-N 1 1 412.574 4.894 40 0 HJABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019347027 558873664 /nfs/dbraw/zinc/87/36/64/558873664.db2.gz RZKHVGLOGKBUMP-HXUWFJFHSA-N 1 1 418.541 4.665 40 0 HJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019370368 558878622 /nfs/dbraw/zinc/87/86/22/558878622.db2.gz DEONCXUXOAKGMU-BKMJKUGQSA-N 1 1 417.528 4.533 40 0 HJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000019400475 558883190 /nfs/dbraw/zinc/88/31/90/558883190.db2.gz QOWLDWRIHCBQLS-ZCVJKFOLSA-N 1 1 407.533 4.760 40 0 HJABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c2sccn12 ZINC000019523085 558904061 /nfs/dbraw/zinc/90/40/61/558904061.db2.gz SWQIFVILCIOVDA-IEBWSBKVSA-N 1 1 424.570 4.587 40 0 HJABMO COc1cc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc(OC)c1OC ZINC000019559847 558921162 /nfs/dbraw/zinc/92/11/62/558921162.db2.gz GSGMYONRFOHVSV-KRWDZBQOSA-N 1 1 418.584 4.921 40 0 HJABMO Cc1cc(C[N@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc(C)c1O ZINC000019570011 558928942 /nfs/dbraw/zinc/92/89/42/558928942.db2.gz IPZRTGFMJUZJGP-ZTFGCOKTSA-N 1 1 408.468 4.850 40 0 HJABMO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc(C)c1O ZINC000019570011 558928945 /nfs/dbraw/zinc/92/89/45/558928945.db2.gz IPZRTGFMJUZJGP-ZTFGCOKTSA-N 1 1 408.468 4.850 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)C1CCCC1 ZINC000072330399 558934529 /nfs/dbraw/zinc/93/45/29/558934529.db2.gz PGZHCWHVWAKBRQ-CVDCTZTESA-N 1 1 413.512 4.620 40 0 HJABMO CCCc1ccc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 ZINC000072341495 558939983 /nfs/dbraw/zinc/93/99/83/558939983.db2.gz BTIMKPHFSPBQMM-IBGZPJMESA-N 1 1 411.575 4.857 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072349967 558946921 /nfs/dbraw/zinc/94/69/21/558946921.db2.gz HJYMUBYBIWVZGP-GOSISDBHSA-N 1 1 400.448 4.881 40 0 HJABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)n1 ZINC000072372551 558960075 /nfs/dbraw/zinc/96/00/75/558960075.db2.gz FVHGXLJJBZVFTL-HXUWFJFHSA-N 1 1 410.518 4.944 40 0 HJABMO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000019690997 558960483 /nfs/dbraw/zinc/96/04/83/558960483.db2.gz DCKCWDUIJIZUMN-QHCPKHFHSA-N 1 1 400.526 4.898 40 0 HJABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000072372694 558960630 /nfs/dbraw/zinc/96/06/30/558960630.db2.gz MFIXDYRVMWKUJR-QFIPXVFZSA-N 1 1 415.541 4.974 40 0 HJABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000072372694 558960632 /nfs/dbraw/zinc/96/06/32/558960632.db2.gz MFIXDYRVMWKUJR-QFIPXVFZSA-N 1 1 415.541 4.974 40 0 HJABMO CCn1ncc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c1C ZINC000019694356 558962775 /nfs/dbraw/zinc/96/27/75/558962775.db2.gz VDXSSUNNWWFJDM-QFIPXVFZSA-N 1 1 422.552 4.601 40 0 HJABMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c2cc(F)ccc21 ZINC000072375754 558964635 /nfs/dbraw/zinc/96/46/35/558964635.db2.gz KSKAOXYDUFMMJS-NRFANRHFSA-N 1 1 402.477 4.583 40 0 HJABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 ZINC000072375725 558964669 /nfs/dbraw/zinc/96/46/69/558964669.db2.gz MCYLFNPWGDUKGD-OAQYLSRUSA-N 1 1 403.530 4.886 40 0 HJABMO COc1ccccc1-c1ccccc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000019714575 558974616 /nfs/dbraw/zinc/97/46/16/558974616.db2.gz KNCSWWCEMBBQTC-UHFFFAOYSA-N 1 1 402.538 4.831 40 0 HJABMO Cc1nccn1C[C@@H]1CCC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715785 558977064 /nfs/dbraw/zinc/97/70/64/558977064.db2.gz BGOCFRHOGMYJJV-QGZVFWFLSA-N 1 1 409.534 4.619 40 0 HJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1 ZINC000585289455 559122393 /nfs/dbraw/zinc/12/23/93/559122393.db2.gz GVMPUAYGMGQJAJ-MRXNPFEDSA-N 1 1 418.419 4.539 40 0 HJABMO O=C(Cc1ccc(Cl)cc1)NC[C@H]1CC[C@H](c2c[nH+]cn2Cc2cccnc2)CC1 ZINC000100733679 559138764 /nfs/dbraw/zinc/13/87/64/559138764.db2.gz ALBKCPBKOQEVAO-TYKWCNGQSA-N 1 1 422.960 4.613 40 0 HJABMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCCCC3)[nH+]c2C)cc1 ZINC000072219318 559169656 /nfs/dbraw/zinc/16/96/56/559169656.db2.gz HMYSEZGPDUBMSD-JOCHJYFZSA-N 1 1 413.587 4.605 40 0 HJABMO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3ccco3)cc12 ZINC000013564681 560813066 /nfs/dbraw/zinc/81/30/66/560813066.db2.gz GBYRSKBOZHDEOI-UHFFFAOYSA-N 1 1 410.905 4.548 40 0 HJABMO Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000224181029 568572872 /nfs/dbraw/zinc/57/28/72/568572872.db2.gz GNMKGWOGKPEPTB-GOSISDBHSA-N 1 1 421.368 4.709 40 0 HJABMO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540796 568584239 /nfs/dbraw/zinc/58/42/39/568584239.db2.gz ZKEDTRHGXUYZRI-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224542808 568584398 /nfs/dbraw/zinc/58/43/98/568584398.db2.gz RTWUKBSMKLAPCT-UHFFFAOYSA-N 1 1 421.368 4.709 40 0 HJABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000225561335 568651295 /nfs/dbraw/zinc/65/12/95/568651295.db2.gz GJOYWUXCZSGXSI-NRFANRHFSA-N 1 1 422.569 4.627 40 0 HJABMO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225583156 568654183 /nfs/dbraw/zinc/65/41/83/568654183.db2.gz IQLAYQUEKMPZQH-HNNXBMFYSA-N 1 1 404.913 4.577 40 0 HJABMO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225699256 568665782 /nfs/dbraw/zinc/66/57/82/568665782.db2.gz YEAUGMHZALWYHX-JXALWOEJSA-N 1 1 404.595 4.967 40 0 HJABMO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 ZINC000225720376 568667688 /nfs/dbraw/zinc/66/76/88/568667688.db2.gz MRTGBXOUENEFRR-LXLIEBNMSA-N 1 1 416.606 4.967 40 0 HJABMO Cc1c2ccccc2oc1-c1nnc2sc(CC[N@H+](C)Cc3ccccc3)nn21 ZINC000096194449 568703943 /nfs/dbraw/zinc/70/39/43/568703943.db2.gz ACZPIRBGKWZZHR-UHFFFAOYSA-N 1 1 403.511 4.582 40 0 HJABMO Cc1c2ccccc2oc1-c1nnc2sc(C[N@H+]3CC[C@H](c4ccccc4)C3)nn21 ZINC000096194457 568704243 /nfs/dbraw/zinc/70/42/43/568704243.db2.gz UIRGZUZRRXSKBW-KRWDZBQOSA-N 1 1 415.522 4.897 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814769 568740211 /nfs/dbraw/zinc/74/02/11/568740211.db2.gz NIUCCHZYCQURBK-PWSZPPJVSA-N 1 1 402.579 4.577 40 0 HJABMO CN(C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)C1CCCCC1 ZINC000257227121 568784213 /nfs/dbraw/zinc/78/42/13/568784213.db2.gz FNUHHFPIJJFIAV-LJQANCHMSA-N 1 1 420.557 4.940 40 0 HJABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCCC4)on3)C2)c1 ZINC000257255606 568791967 /nfs/dbraw/zinc/79/19/67/568791967.db2.gz KIDYRXDOTZEQGB-LJQANCHMSA-N 1 1 411.546 4.515 40 0 HJABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000257277612 568797655 /nfs/dbraw/zinc/79/76/55/568797655.db2.gz NYSOWCJRIJGYNO-QGZVFWFLSA-N 1 1 401.535 4.799 40 0 HJABMO O=C(/C=C/c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000257302615 568804956 /nfs/dbraw/zinc/80/49/56/568804956.db2.gz SDOKZHSLGWDMED-AWRZONTFSA-N 1 1 400.566 4.993 40 0 HJABMO Cc1nc(Nc2cc(C)nc([C@@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)c2)sc1C ZINC000257303615 568805471 /nfs/dbraw/zinc/80/54/71/568805471.db2.gz SHYFAIWMPJRYPW-GOSISDBHSA-N 1 1 410.591 4.628 40 0 HJABMO Cc1csc(Nc2cccc([C@@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)n2)n1 ZINC000257323733 568811435 /nfs/dbraw/zinc/81/14/35/568811435.db2.gz WLQBWVFTGVEJIA-NRFANRHFSA-N 1 1 417.538 4.712 40 0 HJABMO Cc1csc(Nc2cccc([C@@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)n2)n1 ZINC000257323733 568811438 /nfs/dbraw/zinc/81/14/38/568811438.db2.gz WLQBWVFTGVEJIA-NRFANRHFSA-N 1 1 417.538 4.712 40 0 HJABMO COc1cccc2c1OC1(CC[NH+](Cc3ccc(Cl)cn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257332077 568813814 /nfs/dbraw/zinc/81/38/14/568813814.db2.gz XVQSTERMOBWXGH-PZJWPPBQSA-N 1 1 414.933 4.639 40 0 HJABMO O=C(c1ccsc1)N1C[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3)C2)c2ncccc21 ZINC000306133815 568895943 /nfs/dbraw/zinc/89/59/43/568895943.db2.gz MWZUCQGTFQYNSJ-QFIPXVFZSA-N 1 1 409.942 4.601 40 0 HJABMO O=C(Nc1ccccc1)c1cnn2c1nccc2[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000306136284 568898198 /nfs/dbraw/zinc/89/81/98/568898198.db2.gz POQMKVGAWOKTSH-HXUWFJFHSA-N 1 1 417.557 4.741 40 0 HJABMO CC(C)c1nc(NCc2ccccc2)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000329015933 568972854 /nfs/dbraw/zinc/97/28/54/568972854.db2.gz NEBWKVGRMFEKQV-SFHVURJKSA-N 1 1 402.542 4.828 40 0 HJABMO Clc1ccccc1C[N@H+]1CC=C(c2nn3c(nnc3-c3ccccc3)s2)CC1 ZINC000226250648 569278863 /nfs/dbraw/zinc/27/88/63/569278863.db2.gz AUAOWHKULYLTGH-UHFFFAOYSA-N 1 1 407.930 4.796 40 0 HJABMO Clc1ccccc1C[N@@H+]1CC=C(c2nn3c(nnc3-c3ccccc3)s2)CC1 ZINC000226250648 569278865 /nfs/dbraw/zinc/27/88/65/569278865.db2.gz AUAOWHKULYLTGH-UHFFFAOYSA-N 1 1 407.930 4.796 40 0 HJABMO Fc1ccccc1OCc1cc([C@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000019704714 569347750 /nfs/dbraw/zinc/34/77/50/569347750.db2.gz FTGGZQVAFOFRAQ-SFHVURJKSA-N 1 1 402.473 4.666 40 0 HJABMO Fc1ccccc1OCc1cc([C@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)[nH]n1 ZINC000019704714 569347751 /nfs/dbraw/zinc/34/77/51/569347751.db2.gz FTGGZQVAFOFRAQ-SFHVURJKSA-N 1 1 402.473 4.666 40 0 HJABMO Fc1ccccc1OCc1cc([C@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)[nH]n1 ZINC000019704714 569347752 /nfs/dbraw/zinc/34/77/52/569347752.db2.gz FTGGZQVAFOFRAQ-SFHVURJKSA-N 1 1 402.473 4.666 40 0 HJABMO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@H+]3CCC[C@H](C)C3)cc1)CC(C)(C)O2 ZINC000044855570 569351979 /nfs/dbraw/zinc/35/19/79/569351979.db2.gz RLBRFBLRJFYDAH-FDDCHVKYSA-N 1 1 422.569 4.959 40 0 HJABMO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044855364 569352022 /nfs/dbraw/zinc/35/20/22/569352022.db2.gz DXYWFGYPDCIKGT-SIKLNZKXSA-N 1 1 410.533 4.765 40 0 HJABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000035426281 291275783 /nfs/dbraw/zinc/27/57/83/291275783.db2.gz KBPAOLCSVLMESF-KRWDZBQOSA-N 1 1 417.435 4.554 40 0 biogenic,in-vitro HJABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000035426281 291275787 /nfs/dbraw/zinc/27/57/87/291275787.db2.gz KBPAOLCSVLMESF-KRWDZBQOSA-N 1 1 417.435 4.554 40 0 biogenic,in-vitro HJABMO CC(=O)N1c2ccccc2C([C@H](O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC000004416115 132277091 /nfs/dbraw/zinc/27/70/91/132277091.db2.gz HWZXWPXTTVBZTK-RZTXVSJASA-N 1 1 404.554 4.832 40 0 HJABMO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000044932237 519779300 /nfs/dbraw/zinc/77/93/00/519779300.db2.gz IJFLMPZVNARIEM-UHFFFAOYSA-N 1 1 418.940 4.795 40 0 HJABMO CCOc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044851378 520946776 /nfs/dbraw/zinc/94/67/76/520946776.db2.gz CWKGPUWWWGWFCJ-OAQYLSRUSA-N 1 1 414.977 4.700 40 0 HJABMO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044919808 521347480 /nfs/dbraw/zinc/34/74/80/521347480.db2.gz ZOFXQJIAPVEUFG-UHFFFAOYSA-N 1 1 421.368 4.921 40 0 HJABMO CCCCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC000408629069 557562967 /nfs/dbraw/zinc/56/29/67/557562967.db2.gz LADPIRWFAXRLSY-UHFFFAOYSA-N 1 1 401.938 4.523 40 0 HJABMO Cc1nc([C@H]2CCC[N@H+](C3CCCCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000019744493 558265005 /nfs/dbraw/zinc/26/50/05/558265005.db2.gz IRXQMWMPJNVIKW-IBGZPJMESA-N 1 1 422.548 4.526 40 0 HJABMO COc1cc(/C=C/C2=CC[N@@H+](C)CC2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000012143031 558335283 /nfs/dbraw/zinc/33/52/83/558335283.db2.gz AFNHDJKVHVAVHV-VOTSOKGWSA-N 1 1 412.917 4.641 40 0 HJABMO COc1ccc(C[N@@H+](Cc2[nH]c3ccccc3c2C)C[C@@H]2CCCO2)c(OC)c1OC ZINC000012187003 558346008 /nfs/dbraw/zinc/34/60/08/558346008.db2.gz SENUVFBVUYYHDB-IBGZPJMESA-N 1 1 424.541 4.683 40 0 HJABMO COc1ccc(C[N@H+](Cc2[nH]c3ccccc3c2C)C[C@@H]2CCCO2)c(OC)c1OC ZINC000012187003 558346010 /nfs/dbraw/zinc/34/60/10/558346010.db2.gz SENUVFBVUYYHDB-IBGZPJMESA-N 1 1 424.541 4.683 40 0 HJABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000012345291 558386445 /nfs/dbraw/zinc/38/64/45/558386445.db2.gz GOZPOKXFWDLVIB-KEVCNVLYSA-N 1 1 411.542 4.506 40 0 HJABMO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039762524 558685535 /nfs/dbraw/zinc/68/55/35/558685535.db2.gz QZCICHUYQDPDPT-UHFFFAOYSA-N 1 1 402.941 4.749 40 0 HJABMO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038835142 558817962 /nfs/dbraw/zinc/81/79/62/558817962.db2.gz GSMKMJIRNZMYSQ-UHFFFAOYSA-N 1 1 421.324 4.631 40 0 HJABMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038848939 558818253 /nfs/dbraw/zinc/81/82/53/558818253.db2.gz VZIYLVNAYJNTGN-UHFFFAOYSA-N 1 1 421.368 4.573 40 0 HJABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000019081632 558839849 /nfs/dbraw/zinc/83/98/49/558839849.db2.gz XRRQNQSLKRJXTB-NJDAHSKKSA-N 1 1 400.563 4.750 40 0 HJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019236839 558856095 /nfs/dbraw/zinc/85/60/95/558856095.db2.gz VCDXCLFDGWAWMW-BWKNWUBXSA-N 1 1 417.528 4.912 40 0 HJABMO Cc1[nH+]ccn1CCCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000019288129 558861254 /nfs/dbraw/zinc/86/12/54/558861254.db2.gz OVKAUZDUMPVPEQ-UHFFFAOYSA-N 1 1 408.449 4.677 40 0 HJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019370354 558878616 /nfs/dbraw/zinc/87/86/16/558878616.db2.gz HVAAQCQXBXDJRA-JCYRPKCISA-N 1 1 403.570 4.550 40 0 HJABMO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]21 ZINC000019405273 558884718 /nfs/dbraw/zinc/88/47/18/558884718.db2.gz BJATZIBLCOLEAD-DNVJHFABSA-N 1 1 409.599 4.540 40 0 HJABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CC[N@@H+](Cc2ccccn2)C1 ZINC000019449576 558888026 /nfs/dbraw/zinc/88/80/26/558888026.db2.gz SWKAUBCPIPOALM-MHZLTWQESA-N 1 1 413.565 4.708 40 0 HJABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456049 558891883 /nfs/dbraw/zinc/89/18/83/558891883.db2.gz FXAKAGBHVQPKDR-ZBLYBZFDSA-N 1 1 413.565 4.533 40 0 HJABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)no1 ZINC000019503654 558900898 /nfs/dbraw/zinc/90/08/98/558900898.db2.gz SJWYBEKPOTVQCV-JOCHJYFZSA-N 1 1 417.553 4.826 40 0 HJABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c2sccn12 ZINC000019523083 558904227 /nfs/dbraw/zinc/90/42/27/558904227.db2.gz SWQIFVILCIOVDA-MJGOQNOKSA-N 1 1 424.570 4.587 40 0 HJABMO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c(C)n1 ZINC000019524557 558905696 /nfs/dbraw/zinc/90/56/96/558905696.db2.gz LGSFLWFAZSPAKA-FQEVSTJZSA-N 1 1 408.502 4.712 40 0 HJABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c(C)n1 ZINC000019524557 558905698 /nfs/dbraw/zinc/90/56/98/558905698.db2.gz LGSFLWFAZSPAKA-FQEVSTJZSA-N 1 1 408.502 4.712 40 0 HJABMO CCOCc1cc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)ccc1OC ZINC000019531153 558911765 /nfs/dbraw/zinc/91/17/65/558911765.db2.gz RISKNNNYXWHBJL-FQEVSTJZSA-N 1 1 410.518 4.645 40 0 HJABMO CCOCc1cc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)ccc1OC ZINC000019531153 558911767 /nfs/dbraw/zinc/91/17/67/558911767.db2.gz RISKNNNYXWHBJL-FQEVSTJZSA-N 1 1 410.518 4.645 40 0 HJABMO COc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)c1 ZINC000019565420 558925492 /nfs/dbraw/zinc/92/54/92/558925492.db2.gz DDAYYHGUZZGCHO-HJOGWXRNSA-N 1 1 424.610 4.763 40 0 HJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000072330403 558934504 /nfs/dbraw/zinc/93/45/04/558934504.db2.gz MIDQHRPLLIVPRJ-AVRDEDQJSA-N 1 1 409.530 4.666 40 0 HJABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072330441 558934872 /nfs/dbraw/zinc/93/48/72/558934872.db2.gz SWDNPTPLKQAUPZ-BWKNWUBXSA-N 1 1 409.549 4.871 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000072337770 558938005 /nfs/dbraw/zinc/93/80/05/558938005.db2.gz AYRYYEHYEXSHNL-YJBOKZPZSA-N 1 1 424.397 4.929 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000072337770 558938007 /nfs/dbraw/zinc/93/80/07/558938007.db2.gz AYRYYEHYEXSHNL-YJBOKZPZSA-N 1 1 424.397 4.929 40 0 HJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CCCC1 ZINC000072341417 558939744 /nfs/dbraw/zinc/93/97/44/558939744.db2.gz BJZPMXNUCFTXNP-QUCCMNQESA-N 1 1 401.551 4.542 40 0 HJABMO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000072353746 558950882 /nfs/dbraw/zinc/95/08/82/558950882.db2.gz ZBSXBZPEWDOMKB-HXUWFJFHSA-N 1 1 414.553 4.940 40 0 HJABMO CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370651 558956992 /nfs/dbraw/zinc/95/69/92/558956992.db2.gz LHVIXRSUENPPMS-KRWDZBQOSA-N 1 1 410.587 4.750 40 0 HJABMO CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ncc[nH]1 ZINC000072370651 558956994 /nfs/dbraw/zinc/95/69/94/558956994.db2.gz LHVIXRSUENPPMS-KRWDZBQOSA-N 1 1 410.587 4.750 40 0 HJABMO COc1cccc(OCCc2cc([C@H]3CC[N@@H+](C/C(C)=C/c4ccccc4)C3)[nH]n2)c1 ZINC000072371559 558958450 /nfs/dbraw/zinc/95/84/50/558958450.db2.gz BHNMVWAVTHFTAL-QDUHJBTASA-N 1 1 417.553 4.933 40 0 HJABMO COc1cccc(OCCc2cc([C@H]3CC[N@H+](C/C(C)=C/c4ccccc4)C3)n[nH]2)c1 ZINC000072371559 558958451 /nfs/dbraw/zinc/95/84/51/558958451.db2.gz BHNMVWAVTHFTAL-QDUHJBTASA-N 1 1 417.553 4.933 40 0 HJABMO COc1cccc(OCCc2cc([C@H]3CC[N@@H+](C/C(C)=C/c4ccccc4)C3)n[nH]2)c1 ZINC000072371559 558958453 /nfs/dbraw/zinc/95/84/53/558958453.db2.gz BHNMVWAVTHFTAL-QDUHJBTASA-N 1 1 417.553 4.933 40 0 HJABMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019692053 558961694 /nfs/dbraw/zinc/96/16/94/558961694.db2.gz DJWPVAUTLRDJRP-RUZDIDTESA-N 1 1 416.569 4.938 40 0 HJABMO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@H+]2Cc2cn(C)c3ccc(F)cc23)n1 ZINC000072376419 558965615 /nfs/dbraw/zinc/96/56/15/558965615.db2.gz CPOQGWDQNHFFAX-QFIPXVFZSA-N 1 1 416.504 4.892 40 0 HJABMO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@@H+]2Cc2cn(C)c3ccc(F)cc23)n1 ZINC000072376419 558965618 /nfs/dbraw/zinc/96/56/18/558965618.db2.gz CPOQGWDQNHFFAX-QFIPXVFZSA-N 1 1 416.504 4.892 40 0 HJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cncc(Nc3ncccc3C)n1)CCC2 ZINC000072376349 558965676 /nfs/dbraw/zinc/96/56/76/558965676.db2.gz YUAXSJKQNFIYJR-QFIPXVFZSA-N 1 1 415.541 4.758 40 0 HJABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cncc(Nc3ncccc3C)n1)CCC2 ZINC000072376349 558965678 /nfs/dbraw/zinc/96/56/78/558965678.db2.gz YUAXSJKQNFIYJR-QFIPXVFZSA-N 1 1 415.541 4.758 40 0 HJABMO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](C[C@H](C)c2ccccc2)C1 ZINC000072388974 558969439 /nfs/dbraw/zinc/96/94/39/558969439.db2.gz FXAKAGBHVQPKDR-IDISGSTGSA-N 1 1 413.565 4.533 40 0 HJABMO COc1ccc2c(c1)c(C[N@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)cn2C(C)C ZINC000072392571 558972282 /nfs/dbraw/zinc/97/22/82/558972282.db2.gz BHNYQRDOEZLXMC-CNPGNWEMSA-N 1 1 419.569 4.664 40 0 HJABMO COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000072398605 558975958 /nfs/dbraw/zinc/97/59/58/558975958.db2.gz WWQFYTGAMRRHEE-YKSBVNFPSA-N 1 1 423.601 4.823 40 0 HJABMO Cc1cc(Nc2ncccn2)cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)n1 ZINC000585176604 559069548 /nfs/dbraw/zinc/06/95/48/559069548.db2.gz SBIDIDSOTWOZDS-UHFFFAOYSA-N 1 1 410.525 4.851 40 0 HJABMO C[C@@]1(O)CC[N@@H+](CC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289667 560032106 /nfs/dbraw/zinc/03/21/06/560032106.db2.gz AUPYOJWKCSUGPI-QNWVGRARSA-N 1 1 404.620 4.501 40 0 biogenic,in-vitro HJABMO COc1cc2cc(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2cc1OC ZINC000013563116 560816139 /nfs/dbraw/zinc/81/61/39/560816139.db2.gz DZJRJALLTABBSH-CALCHBBNSA-N 1 1 421.541 4.640 40 0 HJABMO CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000219242499 568488490 /nfs/dbraw/zinc/48/84/90/568488490.db2.gz XLOFEZDWNZROTN-QGZVFWFLSA-N 1 1 424.570 4.692 40 0 HJABMO COC(=O)c1cn(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c2ccccc12 ZINC000222571180 568518791 /nfs/dbraw/zinc/51/87/91/568518791.db2.gz CPNLXXVNHJHMMK-UHFFFAOYSA-N 1 1 424.500 4.675 40 0 HJABMO O=C(Cc1ccc(Cl)cc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000223225040 568541643 /nfs/dbraw/zinc/54/16/43/568541643.db2.gz UWXSPAPKGWVFKR-UHFFFAOYSA-N 1 1 422.931 4.955 40 0 HJABMO O=C(NCCOc1ccccc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000223414816 568548164 /nfs/dbraw/zinc/54/81/64/568548164.db2.gz WKBZXEYZYWJKQK-UHFFFAOYSA-N 1 1 420.940 4.707 40 0 HJABMO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225583106 568654225 /nfs/dbraw/zinc/65/42/25/568654225.db2.gz JXFQWAPZPOKLGL-QFIPXVFZSA-N 1 1 400.925 4.885 40 0 HJABMO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225689468 568664627 /nfs/dbraw/zinc/66/46/27/568664627.db2.gz QZYRBDFGIZBLAJ-HYBUGGRVSA-N 1 1 404.595 4.967 40 0 HJABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225734623 568669035 /nfs/dbraw/zinc/66/90/35/568669035.db2.gz SQVMYWLVQCQDPP-HYBUGGRVSA-N 1 1 404.595 4.967 40 0 HJABMO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225738784 568669942 /nfs/dbraw/zinc/66/99/42/568669942.db2.gz HOFCTQOZOSTGMY-JXALWOEJSA-N 1 1 404.595 4.967 40 0 HJABMO CO[C@]1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260818189 568740606 /nfs/dbraw/zinc/74/06/06/568740606.db2.gz WYOVNAMKXAJKJT-DCLXLUIPSA-N 1 1 402.579 4.864 40 0 HJABMO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816965 568740640 /nfs/dbraw/zinc/74/06/40/568740640.db2.gz SQVMYWLVQCQDPP-GBXCKJPGSA-N 1 1 404.595 4.967 40 0 HJABMO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CC[C@@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000247867228 568745876 /nfs/dbraw/zinc/74/58/76/568745876.db2.gz JLXOAABJPNYWPB-AMZDPNTKSA-N 1 1 418.585 4.555 40 0 HJABMO CN(C(=O)C[N@H+]1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)C1CCCCC1 ZINC000257218993 568781659 /nfs/dbraw/zinc/78/16/59/568781659.db2.gz DFEOHUWDHRGJKZ-QFIPXVFZSA-N 1 1 423.576 4.782 40 0 HJABMO CCOc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257222081 568782450 /nfs/dbraw/zinc/78/24/50/568782450.db2.gz DRUWDVFPQUTCFQ-IBGZPJMESA-N 1 1 411.546 4.515 40 0 HJABMO O=C1CCCN1CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714826 569214166 /nfs/dbraw/zinc/21/41/66/569214166.db2.gz DHFOMKSTLZUEPV-UHFFFAOYSA-N 1 1 411.509 4.512 40 0 HJABMO c1ccc(C[N@H+]2CC[C@H](NCc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1 ZINC000253588631 569318031 /nfs/dbraw/zinc/31/80/31/569318031.db2.gz KXBHLDGIMNJBAC-RPWUZVMVSA-N 1 1 400.522 4.563 40 0 HJABMO c1ccc(C[N@@H+]2CC[C@H](NCc3ccc4c(c3)OCO4)[C@@H](c3ccccc3)C2)cc1 ZINC000253588631 569318032 /nfs/dbraw/zinc/31/80/32/569318032.db2.gz KXBHLDGIMNJBAC-RPWUZVMVSA-N 1 1 400.522 4.563 40 0 HJABMO