smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392967 556964403 /nfs/dbraw/zinc/96/44/03/556964403.db2.gz DRZCDSWEPSHKGF-HXUWFJFHSA-N 0 3 433.531 3.951 40 10 IHCBHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392967 556964407 /nfs/dbraw/zinc/96/44/07/556964407.db2.gz DRZCDSWEPSHKGF-HXUWFJFHSA-N 0 3 433.531 3.951 40 10 IHCBHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 ZINC000006144441 557012702 /nfs/dbraw/zinc/01/27/02/557012702.db2.gz NQUPGJZOCGMEGD-SMIHKQSGSA-N 0 3 443.503 3.812 40 10 IHCBHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(O)cc1 ZINC000223269548 557453845 /nfs/dbraw/zinc/45/38/45/557453845.db2.gz YZQPFCBHLUQXDZ-GOTSBHOMSA-N 0 3 435.597 3.729 40 10 IHCBHN Cc1cc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](C)O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013991893 568905270 /nfs/dbraw/zinc/90/52/70/568905270.db2.gz NDMKQFWKGWBWSS-QGZVFWFLSA-N 0 3 436.508 3.935 40 10 IHCBHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(O)cc1 ZINC000223269387 557453817 /nfs/dbraw/zinc/45/38/17/557453817.db2.gz YZQPFCBHLUQXDZ-DHIUTWEWSA-N 0 3 435.597 3.729 40 10 IHCBHN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1O ZINC000101065896 556653250 /nfs/dbraw/zinc/65/32/50/556653250.db2.gz SYPBHEQVTDEXFB-ONTIZHBOSA-N 0 3 434.423 3.591 40 10 IHCBHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102758772 557307577 /nfs/dbraw/zinc/30/75/77/557307577.db2.gz QHXZPCUSIUFKAP-HBMCJLEFSA-N 0 3 436.851 3.802 40 10 IHCBHN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCC3)[nH]n2)cc1 ZINC000223809806 557516244 /nfs/dbraw/zinc/51/62/44/557516244.db2.gz OPFRVEFZUQVEKQ-DEOSSOPVSA-N 0 3 433.556 3.718 40 10 IHCBHN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000028220949 556446314 /nfs/dbraw/zinc/44/63/14/556446314.db2.gz FXKAXPMKBMEQHU-FQEVSTJZSA-N 0 3 427.976 3.909 40 10 IHCBHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@H]2C1=O ZINC000100982715 556634002 /nfs/dbraw/zinc/63/40/02/556634002.db2.gz UUBLHKKQSQBZJU-SGNDLWITSA-N 0 3 443.503 3.812 40 10 IHCBHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1O ZINC000223269193 557453823 /nfs/dbraw/zinc/45/38/23/557453823.db2.gz MRTOGLLLXUFCMU-PKTZIBPZSA-N 0 3 435.597 3.729 40 10 IHCBHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cc(C)ccn1 ZINC000223275446 557454791 /nfs/dbraw/zinc/45/47/91/557454791.db2.gz FXJNIVPKKKKRMN-XZOQPEGZSA-N 0 3 434.613 3.727 40 10 IHCBHN CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCc4ccc(N(C)C)cc4)CO[C@H]23)cc1 ZINC000003841826 291365778 /nfs/dbraw/zinc/36/57/78/291365778.db2.gz WKEYOIFMHKEGNJ-OLKYXYMISA-N 0 3 439.556 3.749 40 10 biogenic,in-vitro IHCBHN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OCCN(C)C)C2=O)cc1 ZINC000011565504 556341944 /nfs/dbraw/zinc/34/19/44/556341944.db2.gz NACUGZOIEZJPIY-SDXDJHTJSA-N 0 3 436.599 3.562 40 10 IHCBHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393125 556964250 /nfs/dbraw/zinc/96/42/50/556964250.db2.gz QGQSBHNRDWZORF-FQEVSTJZSA-N 0 3 433.531 3.951 40 10 IHCBHN O=c1cc([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393125 556964253 /nfs/dbraw/zinc/96/42/53/556964253.db2.gz QGQSBHNRDWZORF-FQEVSTJZSA-N 0 3 433.531 3.951 40 10 IHCBHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1O ZINC000223269304 557453869 /nfs/dbraw/zinc/45/38/69/557453869.db2.gz MRTOGLLLXUFCMU-GOTSBHOMSA-N 0 3 435.597 3.729 40 10 IHCBHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000100867888 556598117 /nfs/dbraw/zinc/59/81/17/556598117.db2.gz NQUPGJZOCGMEGD-VXNXHJTFSA-N 0 3 443.503 3.812 40 10 IHCBHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044910784 556680592 /nfs/dbraw/zinc/68/05/92/556680592.db2.gz RFDUEBWUEJCPFG-NRFANRHFSA-N 0 3 427.976 3.705 40 10 IHCBHN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044910787 556680701 /nfs/dbraw/zinc/68/07/01/556680701.db2.gz RFDUEBWUEJCPFG-OAQYLSRUSA-N 0 3 427.976 3.705 40 10 IHCBHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ncccc1C ZINC000223275695 557454722 /nfs/dbraw/zinc/45/47/22/557454722.db2.gz KGILIBPZUSOXDG-FCHUYYIVSA-N 0 3 434.613 3.727 40 10 IHCBHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C)cn1 ZINC000223275997 557454737 /nfs/dbraw/zinc/45/47/37/557454737.db2.gz CROBBQGPKBXCIH-GOTSBHOMSA-N 0 3 434.613 3.727 40 10 IHCBHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ncccc1C ZINC000223275751 557454730 /nfs/dbraw/zinc/45/47/30/557454730.db2.gz KGILIBPZUSOXDG-VXKWHMMOSA-N 0 3 434.613 3.727 40 10 IHCBHN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCC3)[nH]n2)cc1 ZINC000223809794 557516185 /nfs/dbraw/zinc/51/61/85/557516185.db2.gz OPFRVEFZUQVEKQ-XMMPIXPASA-N 0 3 433.556 3.718 40 10 IHCBHN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4O)C[C@H]2N(C)C3=O)c1 ZINC000514290276 556626529 /nfs/dbraw/zinc/62/65/29/556626529.db2.gz WZZHFPNXPJLZJT-RDGATRHJSA-N 0 3 430.504 3.785 40 10 biogenic,in-vitro IHCBHN COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223290299 557456194 /nfs/dbraw/zinc/45/61/94/557456194.db2.gz CIKBXSKVEHNSHA-GOTSBHOMSA-N 0 3 435.597 3.723 40 10 IHCBHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000004082652 557530480 /nfs/dbraw/zinc/53/04/80/557530480.db2.gz UUBLHKKQSQBZJU-HJOGWXRNSA-N 0 3 443.503 3.812 40 10 IHCBHN COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223290157 193963489 /nfs/dbraw/zinc/96/34/89/193963489.db2.gz CIKBXSKVEHNSHA-DHIUTWEWSA-N 0 3 435.597 3.723 40 10 IHCBHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1O ZINC000223269246 557453861 /nfs/dbraw/zinc/45/38/61/557453861.db2.gz MRTOGLLLXUFCMU-XZOQPEGZSA-N 0 3 435.597 3.729 40 10 IHCBHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ncccc1C ZINC000223275634 557454698 /nfs/dbraw/zinc/45/46/98/557454698.db2.gz KGILIBPZUSOXDG-YADHBBJMSA-N 0 3 434.613 3.727 40 10 IHCBHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cc(C)ccn1 ZINC000223275507 557454823 /nfs/dbraw/zinc/45/48/23/557454823.db2.gz FXJNIVPKKKKRMN-GOTSBHOMSA-N 0 3 434.613 3.727 40 10 IHCBHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cc(C)ccn1 ZINC000223275325 557454798 /nfs/dbraw/zinc/45/47/98/557454798.db2.gz FXJNIVPKKKKRMN-DHIUTWEWSA-N 0 3 434.613 3.727 40 10 IHCBHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1O ZINC000223269135 193960476 /nfs/dbraw/zinc/96/04/76/193960476.db2.gz MRTOGLLLXUFCMU-DHIUTWEWSA-N 0 3 435.597 3.729 40 10 IHCBHN CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 ZINC000222597882 557358944 /nfs/dbraw/zinc/35/89/44/557358944.db2.gz DQDOTKJCRFNYSP-JOCHJYFZSA-N 0 3 441.019 3.620 40 10 IHCBHN CN(C)c1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(Cc4ccccc4)nc23)cc1 ZINC000306127162 568764720 /nfs/dbraw/zinc/76/47/20/568764720.db2.gz FQDDXYMTJCSNMK-UHFFFAOYSA-N 0 3 443.595 3.617 40 10 IHCBHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@@H]2C1=O ZINC000100982719 556634091 /nfs/dbraw/zinc/63/40/91/556634091.db2.gz UUBLHKKQSQBZJU-VXNXHJTFSA-N 0 3 443.503 3.812 40 10 IHCBHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392966 556964517 /nfs/dbraw/zinc/96/45/17/556964517.db2.gz DRZCDSWEPSHKGF-FQEVSTJZSA-N 0 3 433.531 3.951 40 10 IHCBHN O=c1cc([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392966 556964522 /nfs/dbraw/zinc/96/45/22/556964522.db2.gz DRZCDSWEPSHKGF-FQEVSTJZSA-N 0 3 433.531 3.951 40 10 IHCBHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C)cn1 ZINC000223275952 557454768 /nfs/dbraw/zinc/45/47/68/557454768.db2.gz CROBBQGPKBXCIH-XZOQPEGZSA-N 0 3 434.613 3.727 40 10 IHCBHN COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)[C@H]2C1=O ZINC000004082651 557530401 /nfs/dbraw/zinc/53/04/01/557530401.db2.gz UUBLHKKQSQBZJU-SMIHKQSGSA-N 0 3 443.503 3.812 40 10 IHCBHN Cc1cc(CN(Cc2ccc3c(c2)OCO3)C[C@H](C)O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000013991896 568905077 /nfs/dbraw/zinc/90/50/77/568905077.db2.gz NDMKQFWKGWBWSS-KRWDZBQOSA-N 0 3 436.508 3.935 40 10 IHCBHN CCOc1ncc(C2(O)CCN(Cc3ccc(N4CCCC4)c(C)c3)CC2)c(OCC)n1 ZINC000019531721 556792358 /nfs/dbraw/zinc/79/23/58/556792358.db2.gz VBWAJZNKASBWEQ-UHFFFAOYSA-N 0 3 440.588 3.666 40 10 IHCBHN COc1ccc(CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]2CCCO2)cc1OC ZINC000013994140 132355780 /nfs/dbraw/zinc/35/57/80/132355780.db2.gz KGTZTTXYLNMEHF-HSZRJFAPSA-N 0 3 426.557 3.722 40 10 IHCBHN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000409246857 557028511 /nfs/dbraw/zinc/02/85/11/557028511.db2.gz FJEBXNZBCCFETL-HYARGMPZSA-N 0 3 443.507 3.583 40 10 IHCBHN COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223290203 557456240 /nfs/dbraw/zinc/45/62/40/557456240.db2.gz CIKBXSKVEHNSHA-PKTZIBPZSA-N 0 3 435.597 3.723 40 10 IHCBHN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1O ZINC000017859185 569265733 /nfs/dbraw/zinc/26/57/33/569265733.db2.gz SYPBHEQVTDEXFB-URVUXULASA-N 0 3 434.423 3.591 40 10 IHCBHN COc1ccc(CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H]2CCCO2)cc1OC ZINC000013994137 132355829 /nfs/dbraw/zinc/35/58/29/132355829.db2.gz KGTZTTXYLNMEHF-QHCPKHFHSA-N 0 3 426.557 3.722 40 10 IHCBHN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1O ZINC000102732759 557131700 /nfs/dbraw/zinc/13/17/00/557131700.db2.gz SYPBHEQVTDEXFB-RZUBCFFCSA-N 0 3 434.423 3.591 40 10 IHCBHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C)cn1 ZINC000223275897 557454774 /nfs/dbraw/zinc/45/47/74/557454774.db2.gz CROBBQGPKBXCIH-PKTZIBPZSA-N 0 3 434.613 3.727 40 10 IHCBHN CN(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020121640 557515511 /nfs/dbraw/zinc/51/55/11/557515511.db2.gz IHNHRTDFXSVZMZ-XMMPIXPASA-N 0 3 437.636 3.894 40 10 IHCBHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cc(C)ccn1 ZINC000223275386 557454709 /nfs/dbraw/zinc/45/47/09/557454709.db2.gz FXJNIVPKKKKRMN-PKTZIBPZSA-N 0 3 434.613 3.727 40 10 IHCBHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000028220944 556446288 /nfs/dbraw/zinc/44/62/88/556446288.db2.gz FXKAXPMKBMEQHU-HXUWFJFHSA-N 0 3 427.976 3.909 40 10 IHCBHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000100867891 556598062 /nfs/dbraw/zinc/59/80/62/556598062.db2.gz NQUPGJZOCGMEGD-HJOGWXRNSA-N 0 3 443.503 3.812 40 10 IHCBHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102758774 557307495 /nfs/dbraw/zinc/30/74/95/557307495.db2.gz QHXZPCUSIUFKAP-NJYVYQBISA-N 0 3 436.851 3.802 40 10 IHCBHN COc1cc(CN2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)ccc1N1CCCC1 ZINC000019549992 556794980 /nfs/dbraw/zinc/79/49/80/556794980.db2.gz QBFMZIXUILJHMI-HFZDXXHNSA-N 0 3 434.584 3.719 40 10 IHCBHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(O)cc1 ZINC000223269492 557453853 /nfs/dbraw/zinc/45/38/53/557453853.db2.gz YZQPFCBHLUQXDZ-XZOQPEGZSA-N 0 3 435.597 3.729 40 10 IHCBHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ncccc1C ZINC000223275581 557454783 /nfs/dbraw/zinc/45/47/83/557454783.db2.gz KGILIBPZUSOXDG-FGZHOGPDSA-N 0 3 434.613 3.727 40 10 IHCBHN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1 ZINC000038851120 556624709 /nfs/dbraw/zinc/62/47/09/556624709.db2.gz QYOGIMZRKKAWKV-FQEVSTJZSA-N 0 3 427.976 3.909 40 10 IHCBHN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)c1O ZINC000102732754 557131710 /nfs/dbraw/zinc/13/17/10/557131710.db2.gz SYPBHEQVTDEXFB-JAXLGGSGSA-N 0 3 434.423 3.591 40 10 IHCBHN COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)cc1 ZINC000223290251 557456299 /nfs/dbraw/zinc/45/62/99/557456299.db2.gz CIKBXSKVEHNSHA-XZOQPEGZSA-N 0 3 435.597 3.723 40 10 IHCBHN CN(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCC3)CC2)cc1 ZINC000020121642 557515467 /nfs/dbraw/zinc/51/54/67/557515467.db2.gz IHNHRTDFXSVZMZ-DEOSSOPVSA-N 0 3 437.636 3.894 40 10 IHCBHN CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 ZINC000222597940 557358827 /nfs/dbraw/zinc/35/88/27/557358827.db2.gz DQDOTKJCRFNYSP-QFIPXVFZSA-N 0 3 441.019 3.620 40 10 IHCBHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(C)cn1 ZINC000223275844 557454808 /nfs/dbraw/zinc/45/48/08/557454808.db2.gz CROBBQGPKBXCIH-DHIUTWEWSA-N 0 3 434.613 3.727 40 10 IHCBHN CCN(CC)CCOc1cccc2c1C(=O)c1cccc(OCCN(CC)CC)c1C2=O ZINC000004783304 562943561 /nfs/dbraw/zinc/94/35/61/562943561.db2.gz ZCLYIIJGHJKZQS-UHFFFAOYSA-N 0 3 438.568 3.903 40 10 IHCBHN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)CC2)cc1 ZINC000038851117 556624732 /nfs/dbraw/zinc/62/47/32/556624732.db2.gz QYOGIMZRKKAWKV-HXUWFJFHSA-N 0 3 427.976 3.909 40 10 IHCBHN Oc1ccccc1CN1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225473989 291377207 /nfs/dbraw/zinc/37/72/07/291377207.db2.gz JUUXQJGOUQUPSR-UHFFFAOYSA-N 0 3 435.593 3.891 40 10 biogenic,in-vitro IHCBHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393124 556964338 /nfs/dbraw/zinc/96/43/38/556964338.db2.gz QGQSBHNRDWZORF-HXUWFJFHSA-N 0 3 433.531 3.951 40 10 IHCBHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)c(F)c3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393124 556964341 /nfs/dbraw/zinc/96/43/41/556964341.db2.gz QGQSBHNRDWZORF-HXUWFJFHSA-N 0 3 433.531 3.951 40 10 IHCBHN COc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 ZINC000006144442 557012643 /nfs/dbraw/zinc/01/26/43/557012643.db2.gz NQUPGJZOCGMEGD-SGNDLWITSA-N 0 3 443.503 3.812 40 10 IHCBHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(O)cc1 ZINC000223269440 557453893 /nfs/dbraw/zinc/45/38/93/557453893.db2.gz YZQPFCBHLUQXDZ-PKTZIBPZSA-N 0 3 435.597 3.729 40 10 IHCBHN