smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2ccc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1 ZINC000000604739 132228962 /nfs/dbraw/zinc/22/89/62/132228962.db2.gz DZKFKYARPPSLED-UHFFFAOYSA-N 1 0 407.461 3.973 1 0 HHAFRO CC[NH+]1CCC(N(C)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 ZINC000049113147 581091466 /nfs/dbraw/zinc/09/14/66/581091466.db2.gz ZVFRNYFWZZIAIU-UHFFFAOYSA-N 1 0 413.525 3.858 1 0 HHAFRO CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3cccc(C[NH+]4CCCC4)c3)n2)cc1 ZINC000096315965 581098402 /nfs/dbraw/zinc/09/84/02/581098402.db2.gz JMNXFCIFXVHPEZ-UHFFFAOYSA-N 1 0 423.542 3.855 1 0 HHAFRO C[C@@]12CCC[C@@H]3C[C@@]([C@H]4CCC[C@H](Cc5ccc(N)nc5)C4)(C[C@@]([NH3+])(CCO)[C@@H]31)O2 ZINC000085543240 291256549 /nfs/dbraw/zinc/25/65/49/291256549.db2.gz YMAGGZDWBUAIJN-DLDMKGCKSA-N 1 0 413.606 3.830 1 0 biogenic,in-vitro HHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000013526250 581096168 /nfs/dbraw/zinc/09/61/68/581096168.db2.gz PTPSBYOWELRFJR-VXKWHMMOSA-N 1 0 407.558 3.517 1 0 HHAFRO C[NH+]1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CCCCC5)c4n3)cc2)CC1 ZINC000003815498 132268864 /nfs/dbraw/zinc/26/88/64/132268864.db2.gz WILYEZRGOZWPED-UHFFFAOYSA-N 1 0 418.545 3.792 1 0 HHAFRO O=c1[nH]c(-c2ccc(F)cc2)c(CC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000026375996 132227302 /nfs/dbraw/zinc/22/73/02/132227302.db2.gz SZPHVEWNGAHVKS-UHFFFAOYSA-N 1 0 401.869 3.792 1 0 HHAFRO CC(=O)Nc1ccc2c(c1)C(=O)N(CCC1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000003814221 581096059 /nfs/dbraw/zinc/09/60/59/581096059.db2.gz IYQDVAQDSMLFBE-UHFFFAOYSA-N 1 0 405.498 3.543 1 0 HHAFRO C[NH+](C)CCOc1ccc(C=Cc2cc(-c3cc4c(nc[nH]c4=O)[nH]3)ccn2)cc1 ZINC000035285617 581097481 /nfs/dbraw/zinc/09/74/81/581097481.db2.gz RLAJOHAIIACFAM-ZZXKWVIFSA-N 1 0 401.470 3.836 1 0 HHAFRO COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@@H]3CCC[NH2+][C@H]3[C@H]2C1 ZINC000070454057 291255567 /nfs/dbraw/zinc/25/55/67/291255567.db2.gz FPUGEZQMCZNKFY-VUNWAWHJSA-N 1 0 423.509 3.877 1 0 biogenic,in-vitro HHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/C=C/c2ccccc2)CC1 ZINC000013526367 581096127 /nfs/dbraw/zinc/09/61/27/581096127.db2.gz IOIJPOKENALSRI-VMUIEEQSSA-N 1 0 419.569 3.983 1 0 HHAFRO COc1ccc2c(c1)nccc2OCc1nnc2ccc(-c3cc(C)ns3)nn21 ZINC000045257040 581097445 /nfs/dbraw/zinc/09/74/45/581097445.db2.gz DQDNVYJAOVRUOQ-UHFFFAOYSA-N 1 0 404.455 3.692 1 0 HHAFRO CC[C@H](O)[C@@H]1[C@@H]2CC[C@H]3CC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@H](CC2)[N@@H+]31 ZINC000085532594 291250180 /nfs/dbraw/zinc/25/01/80/291250180.db2.gz ZOUDZLSCIFATNZ-UGPYSOOWSA-N 1 0 415.530 3.628 1 0 biogenic,in-vitro HHAFRO Cc1cccc(Cl)c1Nc1nc2ccc(N3CC[NH2+][C@@H](C)C3)nc2n2cncc12 ZINC000003820980 132268885 /nfs/dbraw/zinc/26/88/85/132268885.db2.gz PUNYTBZWCMNSRO-AWEZNQCLSA-N 1 0 407.909 3.781 1 0 in-vivo HHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc3ccccc3n2)CC1 ZINC000013525812 581096121 /nfs/dbraw/zinc/09/61/21/581096121.db2.gz CDDVHWKFFCJTOZ-UHFFFAOYSA-N 1 0 418.541 3.576 1 0 HHAFRO CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)nc4)C3)C[C@@H]3CC[C@H](CO)[C@]([NH3+])(C2)[C@@H]31 ZINC000085543198 291248653 /nfs/dbraw/zinc/24/86/53/291248653.db2.gz RVTXERZIRMACGH-AUVNHWKWSA-N 1 0 413.606 3.686 1 0 biogenic,in-vitro HHAFRO Cc1ccc2c(cccc2N2CC[N@H+](CCc3ccc4c(c3)NC(=O)CO4)[C@@H](C)C2)n1 ZINC000003959333 132269580 /nfs/dbraw/zinc/26/95/80/132269580.db2.gz DZBLKVHBOHYUNY-SFHVURJKSA-N 1 0 416.525 3.627 1 0 HHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000013526246 581096199 /nfs/dbraw/zinc/09/61/99/581096199.db2.gz PTPSBYOWELRFJR-FCHUYYIVSA-N 1 0 407.558 3.517 1 0 HHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2nccc3ccccc32)CC1 ZINC000013526206 581096079 /nfs/dbraw/zinc/09/60/79/581096079.db2.gz VGJNZAVHANBHEO-UHFFFAOYSA-N 1 0 418.541 3.576 1 0 HHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000013526239 581096136 /nfs/dbraw/zinc/09/61/36/581096136.db2.gz PTPSBYOWELRFJR-FGZHOGPDSA-N 1 0 407.558 3.517 1 0 HHAFRO FC(F)(F)c1cccc(N2CC[NH+](CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1 ZINC000000537940 132228730 /nfs/dbraw/zinc/22/87/30/132228730.db2.gz BNRMWKUVWLKDQJ-YJBOKZPZSA-N 1 0 405.468 3.559 1 0 world HHAFRO Cc1cccc(Cl)c1Nc1nc2ccc(N3CCC[NH2+]CC3)nc2n2cncc12 ZINC000013582050 581091981 /nfs/dbraw/zinc/09/19/81/581091981.db2.gz WRNGKJFRFDMYKK-UHFFFAOYSA-N 1 0 407.909 3.783 1 0 HHAFRO Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)[C@@H]3c1cccc(O)c1 ZINC000045351711 581092073 /nfs/dbraw/zinc/09/20/73/581092073.db2.gz ILPBYDQWNIUYOS-HOYKHHGWSA-N 1 0 403.526 3.998 1 0 HHAFRO CC[NH+](CC)CCC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040846606 581095482 /nfs/dbraw/zinc/09/54/82/581095482.db2.gz JOWBTMNHXTYWFA-QHCPKHFHSA-N 1 0 411.498 3.805 1 0 HHAFRO COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000013756909 581096172 /nfs/dbraw/zinc/09/61/72/581096172.db2.gz MEEMKNVOHUJFSV-HNNXBMFYSA-N 1 0 419.953 3.834 1 0 HHAFRO Nc1nnc(SC[C@@H]([NH3+])CCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000040412579 581098587 /nfs/dbraw/zinc/09/85/87/581098587.db2.gz JPXLGOBVNVPEMG-ZDUSSCGKSA-N 1 0 415.544 3.751 1 0 HHAFRO COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000034802051 581100250 /nfs/dbraw/zinc/10/02/50/581100250.db2.gz YRAUBPBLFNFPPH-BIENJYKASA-N 1 0 407.448 3.905 1 0 HHAFRO CNC(=[NH2+])NCC[C@]1(O)CC[C@H]2[C@@H]1C[C@@H](C1=CCC[C@H]3CCCC[C@@H]13)CC[C@@]2(C)O ZINC000085549771 291250711 /nfs/dbraw/zinc/25/07/11/291250711.db2.gz IANOPMUQDBFUEJ-DWZSISIWSA-N 1 0 417.638 3.955 1 0 biogenic,in-vitro HHAFRO C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2C[NH2+][C@@H]1CCCC12CCCC2 ZINC000085547804 291256845 /nfs/dbraw/zinc/25/68/45/291256845.db2.gz DFIDXMCGQSQTCP-IWMPYTMRSA-N 1 0 406.570 3.862 1 0 biogenic,in-vitro HHAFRO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+]([C@@H]1CC(=O)N(c3ccc(Br)cc3)C1=O)C2 ZINC000019832022 525915772 /nfs/dbraw/zinc/91/57/72/525915772.db2.gz VHWDVCXSEPHTLK-JXXFODFXSA-N 1 0 405.336 3.982 1 0 HHAFRO Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)[C@@H]3c1cccc(O)c1 ZINC000045351718 581091992 /nfs/dbraw/zinc/09/19/92/581091992.db2.gz ILPBYDQWNIUYOS-MHECFPHRSA-N 1 0 403.526 3.998 1 0 HHAFRO Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CC[NH2+]C1CC1 ZINC000014974523 581098542 /nfs/dbraw/zinc/09/85/42/581098542.db2.gz YAEFGNPDRFBMQN-UHFFFAOYSA-N 1 0 417.951 3.575 1 0 HHAFRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F ZINC000045498532 581099909 /nfs/dbraw/zinc/09/99/09/581099909.db2.gz IAHRSPNDVKURFK-HZPDHXFCSA-N 1 0 420.439 3.628 1 0 HHAFRO Nc1[nH]c2cc3c(cc2[nH+]1)N(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3 ZINC000000605223 132228956 /nfs/dbraw/zinc/22/89/56/132228956.db2.gz VFBJYFVJYIGZBN-UHFFFAOYSA-N 1 0 418.522 3.931 1 0 HHAFRO CCc1sc(C(=O)N[C@H]2[C@H]([NH3+])CCCC2(F)F)cc1-c1cnc2cc(C)cnn21 ZINC000096177978 336463631 /nfs/dbraw/zinc/46/36/31/336463631.db2.gz WGNQNMPDQIMYJJ-ACJLOTCBSA-N 1 0 419.501 3.574 1 0 HHAFRO CCc1sc(C(=O)N[C@@H]2[C@H]([NH3+])CCCC2(F)F)cc1-c1cnc2cc(C)cnn21 ZINC000096177977 454131495 /nfs/dbraw/zinc/13/14/95/454131495.db2.gz WGNQNMPDQIMYJJ-FZKQIMNGSA-N 1 0 419.501 3.574 1 0 HHAFRO Cc1nc2nc(C(=O)Nc3ccon3)cn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000058582366 581091360 /nfs/dbraw/zinc/09/13/60/581091360.db2.gz HCRFDODCKQUINX-UHFFFAOYSA-N 1 0 417.256 3.711 1 0 HHAFRO CCCCC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)OC(C)=O ZINC000085628485 291249208 /nfs/dbraw/zinc/24/92/08/291249208.db2.gz NSTQDXIOQMRTQA-PZJWPPBQSA-N 1 0 407.551 3.719 1 0 biogenic,in-vitro HHAFRO CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@]([NH3+])(CCCO)C2 ZINC000085543264 291248673 /nfs/dbraw/zinc/24/86/73/291248673.db2.gz STTSAMAMJQQJKW-XMPUZHHRSA-N 1 0 401.595 3.830 1 0 biogenic,in-vitro HHAFRO Cc1cccc(Cl)c1Nc1nc2cc(N(C)CC[NH+](C)C)ncc2n2cncc12 ZINC000013582058 581092870 /nfs/dbraw/zinc/09/28/70/581092870.db2.gz MCURPMGVRXUJQC-UHFFFAOYSA-N 1 0 409.925 3.981 1 0 HHAFRO CC[NH+](CC)CCC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040846604 581095489 /nfs/dbraw/zinc/09/54/89/581095489.db2.gz JOWBTMNHXTYWFA-HSZRJFAPSA-N 1 0 411.498 3.805 1 0 HHAFRO COc1ccc2cc3cc(C(=O)Nc4ccccc4N4CC[NH+](C)CC4)oc3nc2c1 ZINC000004057456 132270611 /nfs/dbraw/zinc/27/06/11/132270611.db2.gz ZEIZWYDBHITCPR-UHFFFAOYSA-N 1 0 416.481 3.994 3 0 HHAFRO CC[NH+]1CCN(c2ncc(C(=O)N3CCCc4ccccc43)c3ccccc32)CC1 ZINC000020108120 132470090 /nfs/dbraw/zinc/47/00/90/132470090.db2.gz ZFNHJDXRLUUVJH-UHFFFAOYSA-N 1 0 400.526 3.970 3 0 HHAFRO CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@]2(O)C(F)(F)F ZINC000036056960 558797231 /nfs/dbraw/zinc/79/72/31/558797231.db2.gz OSUFIZIKVFXQCL-IQMYEBEASA-N 1 0 406.499 3.667 2 0 HHAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000013526243 581096144 /nfs/dbraw/zinc/09/61/44/581096144.db2.gz PTPSBYOWELRFJR-YADHBBJMSA-N 1 0 407.558 3.517 1 0 HHAFRO O=S(=O)(c1cccc(Cl)c1)n1ccc2c1ccc(Cl)c2N1CC[NH2+]CC1 ZINC000003961862 132269490 /nfs/dbraw/zinc/26/94/90/132269490.db2.gz IAOGIUYLCUOQQA-UHFFFAOYSA-N 1 0 410.326 3.595 1 0 HHAFRO Cc1cc2nc(C)ccc2c(N2CC[NH+](CCc3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000003959324 132269530 /nfs/dbraw/zinc/26/95/30/132269530.db2.gz DHKSBFZUOUSCJC-UHFFFAOYSA-N 1 0 416.525 3.547 1 0 HHAFRO Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)[C@H]3c1cccc(O)c1 ZINC000045351715 581092049 /nfs/dbraw/zinc/09/20/49/581092049.db2.gz ILPBYDQWNIUYOS-UUOWRZLLSA-N 1 0 403.526 3.998 1 0 HHAFRO CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@]2(O)C(F)(F)F ZINC000036056962 558797188 /nfs/dbraw/zinc/79/71/88/558797188.db2.gz OSUFIZIKVFXQCL-KOSWAMCASA-N 1 0 406.499 3.667 2 0 HHAFRO COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)C(=O)[C@@H](C)C1)C(F)(F)F ZINC000034802045 581100284 /nfs/dbraw/zinc/10/02/84/581100284.db2.gz FNAPHRONLYQVOG-LAPQFRIASA-N 1 0 419.459 3.952 1 0 HHAFRO COc1cccc(C(=O)NCCCC[NH+]2CCN(c3nccc4ccccc43)CC2)c1 ZINC000012356402 581096097 /nfs/dbraw/zinc/09/60/97/581096097.db2.gz MGZOXAOAEVISHM-UHFFFAOYSA-N 1 0 418.541 3.576 1 0 HHAFRO CC[C@@]1(O)CC[C@H]2CC=C3O/C(=C4\OC(=O)C(C)=C4OC)[C@@H](C)[C@@H]3[C@@H]3CCC[C@@H]1[N@H+]23 ZINC000085532553 291250211 /nfs/dbraw/zinc/25/02/11/291250211.db2.gz QCAFHXTWKUQEOP-OFZPWBALSA-N 1 0 415.530 3.772 1 0 biogenic,in-vitro HHAFRO CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1cccc(O)c1)C1CC[NH2+]CC1 ZINC000028572292 581097462 /nfs/dbraw/zinc/09/74/62/581097462.db2.gz XYUMIRJLHXWAGA-JOCHJYFZSA-N 1 0 413.468 3.915 1 0 HHAFRO COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000034802050 581100314 /nfs/dbraw/zinc/10/03/14/581100314.db2.gz YRAUBPBLFNFPPH-KSMMKXTCSA-N 1 0 407.448 3.905 1 0 HHAFRO CCN1c2ncc(CCc3cc[nH+]c(N)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000006385130 581095845 /nfs/dbraw/zinc/09/58/45/581095845.db2.gz CCJJPOCNADHZMF-UHFFFAOYSA-N 1 0 408.893 3.640 1 0 HHAFRO COc1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1N1CC[NH+](C)CC1 ZINC000000606494 132228998 /nfs/dbraw/zinc/22/89/98/132228998.db2.gz PZKHOJOINFYJRB-UHFFFAOYSA-N 1 0 402.498 3.761 1 0 HHAFRO CCOC(=O)[C@@H]1CCCN(c2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)C1 ZINC000029549779 535525927 /nfs/dbraw/zinc/52/59/27/535525927.db2.gz FHPCCRAETPUFNV-CQSZACIVSA-N 1 0 418.444 3.524 1 0 HHAFRO CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1)C1CC[NH2+]CC1 ZINC000028572293 581097383 /nfs/dbraw/zinc/09/73/83/581097383.db2.gz XYUMIRJLHXWAGA-QFIPXVFZSA-N 1 0 413.468 3.915 1 0 HHAFRO Cc1cc(C)n(-c2cc(NC(=O)CC3CC[NH+](C)CC3)nc(-c3ccc(C)o3)n2)n1 ZINC000014975554 581091571 /nfs/dbraw/zinc/09/15/71/581091571.db2.gz BKVXJUVJYOXVBD-UHFFFAOYSA-N 1 0 408.506 3.518 1 0 HHAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OCO5)c3)cc12 ZINC000014961768 581091622 /nfs/dbraw/zinc/09/16/22/581091622.db2.gz IKYGJTHTAXCLMT-SFHVURJKSA-N 1 0 402.454 3.611 1 0 HHAFRO Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)[C@H]3c1cccc(O)c1 ZINC000045351708 581092034 /nfs/dbraw/zinc/09/20/34/581092034.db2.gz ILPBYDQWNIUYOS-KOSHJBKYSA-N 1 0 403.526 3.998 1 0 HHAFRO CCC[N@H+](CCN1CCN(c2ccccc2OC)CC1)[C@H]1CCc2c(O)cccc2C1 ZINC000028964254 581094172 /nfs/dbraw/zinc/09/41/72/581094172.db2.gz ZGSHIAJEAFZHNC-QFIPXVFZSA-N 1 0 423.601 3.792 1 0 HHAFRO COc1ccccc1N1CC[NH+](CCCCN2CCCc3ccccc3C2=O)CC1 ZINC000040403185 581096221 /nfs/dbraw/zinc/09/62/21/581096221.db2.gz USGFBEWNXKQBDG-UHFFFAOYSA-N 1 0 407.558 3.686 1 0 HHAFRO O=C(N[C@H]1CC[C@H]2C[C@@H]([NH+]3CCN(c4ccccn4)CC3)CC[C@@H]2C1)c1ccccc1 ZINC000012356390 132359040 /nfs/dbraw/zinc/35/90/40/132359040.db2.gz OVQXIVRARLGKOO-SBFWRKJZSA-N 1 0 418.585 3.971 1 0 HHAFRO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCC[NH+]3CCCC3)c12 ZINC000020579143 527535648 /nfs/dbraw/zinc/53/56/48/527535648.db2.gz HYHNJNGHGUPNNR-UHFFFAOYSA-N 1 0 411.937 3.825 1 0 HHAFRO COc1ccccc1N1CCC(C[NH2+]C[C@@H]2COc3ccc(Cl)cc3O2)CC1 ZINC000001546255 132246962 /nfs/dbraw/zinc/24/69/62/132246962.db2.gz QHLRKDSRGUZHSH-GOSISDBHSA-N 1 0 402.922 3.995 1 0 investigational HHAFRO CCC[N@H+](CCN1CCN(c2ccccc2OC)CC1)[C@@H]1CCc2c(O)cccc2C1 ZINC000028964249 581094165 /nfs/dbraw/zinc/09/41/65/581094165.db2.gz ZGSHIAJEAFZHNC-JOCHJYFZSA-N 1 0 423.601 3.792 1 0 HHAFRO COc1cc(-c2nc3c(cccc3C(N)=O)[nH]2)ccc1OCC1=CC(C)(C)[NH2+]C1(C)C ZINC000034046627 581099358 /nfs/dbraw/zinc/09/93/58/581099358.db2.gz IORULYRGPQSLHN-UHFFFAOYSA-N 1 0 420.513 3.803 1 0 HHAFRO COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1C[C@@H](C)C(=O)[C@@H](C)C1)C(F)(F)F ZINC000034802044 581100272 /nfs/dbraw/zinc/10/02/72/581100272.db2.gz FNAPHRONLYQVOG-MNVSYLFESA-N 1 0 419.459 3.952 1 0 HHAFRO