smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC001164634825 719235678 /nfs/dbraw/zinc/23/56/78/719235678.db2.gz HJXYPXCAXCAECA-DLBZAZTESA-N 0 1 425.558 3.268 20 0 IGADMN Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001164632041 719236906 /nfs/dbraw/zinc/23/69/06/719236906.db2.gz HTDGSCLKTADEDH-SJORKVTESA-N 0 1 425.558 3.268 20 0 IGADMN CN1CCO[C@@H]2CN(c3nc(CN4CCCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164675190 719441630 /nfs/dbraw/zinc/44/16/30/719441630.db2.gz ZMXNDFCLNPVMDT-ZWKOTPCHSA-N 0 1 427.618 3.075 20 0 IGADMN O=C1C[C@@H]2[C@@H](CCN2c2ccc3c(n2)CCN(Cc2ccccc2)C3)N1Cc1cccnc1 ZINC001164691058 719765465 /nfs/dbraw/zinc/76/54/65/719765465.db2.gz KQOGXBLAKPNRRY-JWQCQUIFSA-N 0 1 439.563 3.415 20 0 IGADMN CCOC(=O)c1nnc(SC)nc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164692576 719806539 /nfs/dbraw/zinc/80/65/39/719806539.db2.gz JVIRHJJZPDYJPO-UHFFFAOYSA-N 0 1 448.618 3.170 20 0 IGADMN COC(=O)c1c[nH]c2nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)ccc12 ZINC001164695268 719889855 /nfs/dbraw/zinc/88/98/55/719889855.db2.gz KOPGHVNVTSMUKW-UHFFFAOYSA-N 0 1 426.542 3.282 20 0 IGADMN COCCn1ccc2c1ncnc2N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164698401 719893718 /nfs/dbraw/zinc/89/37/18/719893718.db2.gz SHIUBFDEYBMVTP-UHFFFAOYSA-N 0 1 427.574 3.011 20 0 IGADMN Fc1ccc(Oc2nc(Cl)nc(N3CCc4ncc(CN5CCCC5)n4CC3)n2)cc1 ZINC001164729706 720571623 /nfs/dbraw/zinc/57/16/23/720571623.db2.gz UDPLWUNRKRBIAS-UHFFFAOYSA-N 0 1 443.914 3.311 20 0 IGADMN Cc1ccc(-c2nc3c(ncnc3N3CCc4ncc(CN5CCCC5)n4CC3)o2)cc1 ZINC001164736273 720584628 /nfs/dbraw/zinc/58/46/28/720584628.db2.gz GGSHTHVJNDOWIF-UHFFFAOYSA-N 0 1 429.528 3.448 20 0 IGADMN Cc1ccccc1Oc1nc(Cl)ncc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740709 720802905 /nfs/dbraw/zinc/80/29/05/720802905.db2.gz AFIBAXAIGFCHRT-IRXDYDNUSA-N 0 1 438.919 3.363 20 0 IGADMN CCOC(=O)c1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)cc1C(=O)OCC ZINC001164859617 721021843 /nfs/dbraw/zinc/02/18/43/721021843.db2.gz KCSUXKAZYPQNAI-MRXNPFEDSA-N 0 1 443.548 3.053 20 0 IGADMN FC(F)(c1nc(Cl)ncc1Cl)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868651 721064474 /nfs/dbraw/zinc/06/44/74/721064474.db2.gz OZXIMYBUEUIGFD-ZIAGYGMSSA-N 0 1 430.286 3.203 20 0 IGADMN FC(F)(c1nc(Cl)ncc1Cl)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868648 721064517 /nfs/dbraw/zinc/06/45/17/721064517.db2.gz OZXIMYBUEUIGFD-KBPBESRZSA-N 0 1 430.286 3.203 20 0 IGADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)Oc4ccc5c(Cl)ncnc5c4)C[C@@H]3C2)cn1 ZINC001164774427 721174378 /nfs/dbraw/zinc/17/43/78/721174378.db2.gz ZCJIVRWNSSCUKQ-HOTGVXAUSA-N 0 1 448.905 3.400 20 0 IGADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)Cc4nc(Cl)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164772339 721180559 /nfs/dbraw/zinc/18/05/59/721180559.db2.gz SJCHWWDZBSRMGJ-KGLIPLIRSA-N 0 1 431.318 3.106 20 0 IGADMN FC(F)(c1nc2ccc(Cl)nc2[n-]1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769120 721275226 /nfs/dbraw/zinc/27/52/26/721275226.db2.gz PBDCTZOEWUNTGV-ZDUSSCGKSA-N 0 1 445.861 3.463 20 0 IGADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)nc4[nH]ccc43)C2)C1 ZINC001164776360 721331507 /nfs/dbraw/zinc/33/15/07/721331507.db2.gz DYNCMSRWOVYQPN-OAQYLSRUSA-N 0 1 430.940 3.335 20 0 IGADMN CSc1nc2sccc2c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164888066 721388039 /nfs/dbraw/zinc/38/80/39/721388039.db2.gz JFFCYHSGOZOQPC-IERDGZPVSA-N 0 1 433.647 3.179 20 0 IGADMN Cc1cccc2c1nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164888344 721401173 /nfs/dbraw/zinc/40/11/73/721401173.db2.gz OKBYGDDENMHGBM-FDDCHVKYSA-N 0 1 429.996 3.357 20 0 IGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(-c5ccc(F)cc5)n4)C3)O2)CC1 ZINC001164888333 721407539 /nfs/dbraw/zinc/40/75/39/721407539.db2.gz OGGBPZBWCIMFAI-ZJSXRUAMSA-N 0 1 425.552 3.048 20 0 IGADMN CCOC(=O)c1cc2c(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164781722 721416450 /nfs/dbraw/zinc/41/64/50/721416450.db2.gz DERPGEHYPSLUET-HOTGVXAUSA-N 0 1 425.558 3.381 20 0 IGADMN Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164886281 721421273 /nfs/dbraw/zinc/42/12/73/721421273.db2.gz IPSBFXKMQKEMMO-FXAWDEMLSA-N 0 1 428.955 3.354 20 0 IGADMN Cc1nc2c3ccccc3oc2c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164884009 721421864 /nfs/dbraw/zinc/42/18/64/721421864.db2.gz CXOZDJWSYGGZTG-CLOONOSVSA-N 0 1 435.572 3.450 20 0 IGADMN Cc1nc2c3ccccc3oc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164884015 721422217 /nfs/dbraw/zinc/42/22/17/721422217.db2.gz CXOZDJWSYGGZTG-KBMIEXCESA-N 0 1 435.572 3.450 20 0 IGADMN Cc1cccc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c12 ZINC001164892353 721425342 /nfs/dbraw/zinc/42/53/42/721425342.db2.gz IFJVIJKFQZGPCE-WZONZLPQSA-N 0 1 429.996 3.357 20 0 IGADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(F)cc5ncnc(Cl)c54)C3)O2)CC1 ZINC001164892362 721428666 /nfs/dbraw/zinc/42/86/66/721428666.db2.gz IGVOPBSYAMKHRQ-HTAPYJJXSA-N 0 1 433.959 3.188 20 0 IGADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc5nc(Cl)cnc5cc4F)C3)O2)CC1 ZINC001164891777 721439802 /nfs/dbraw/zinc/43/98/02/721439802.db2.gz HKMTWFFJKPGFEH-AOMKIAJQSA-N 0 1 433.959 3.188 20 0 IGADMN CC[C@H](C)c1nc2[nH]ccc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164889710 721453472 /nfs/dbraw/zinc/45/34/72/721453472.db2.gz PLVGBYRCHBEEGS-XLNZFTOWSA-N 0 1 426.609 3.237 20 0 IGADMN CN1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cccc4c(Cl)nccc42)CC3)CC1 ZINC001164798246 721516658 /nfs/dbraw/zinc/51/66/58/721516658.db2.gz QPPOYOLLJCSETH-UHFFFAOYSA-N 0 1 446.933 3.397 20 0 IGADMN CN1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc(C4CCCCC4)n2)CC3)CC1 ZINC001164795335 721521966 /nfs/dbraw/zinc/52/19/66/721521966.db2.gz MZSQOONCQHISNX-UHFFFAOYSA-N 0 1 430.000 3.142 20 0 IGADMN CCOC(=O)c1cc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1Cl ZINC001164805506 721531155 /nfs/dbraw/zinc/53/11/55/721531155.db2.gz LYMMUGOBXKNGPX-SVFBPWRDSA-N 0 1 430.936 3.175 20 0 IGADMN CCOC(=O)c1c(C)nc(Cl)cc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809437 721544339 /nfs/dbraw/zinc/54/43/39/721544339.db2.gz UPMNUBOSRDLLCG-LQBOVUBWSA-N 0 1 444.963 3.483 20 0 IGADMN COC(=O)c1ccc2nc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ccc2c1 ZINC001164804588 721548141 /nfs/dbraw/zinc/54/81/41/721548141.db2.gz KOPFAIJVRONYSN-FIXSFTCYSA-N 0 1 432.524 3.285 20 0 IGADMN CCOC(=O)c1cc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1C ZINC001164804559 721552858 /nfs/dbraw/zinc/55/28/58/721552858.db2.gz KHFAYSKFIAGRPE-DYXWJJEUSA-N 0 1 444.963 3.483 20 0 IGADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)COc4ccc(Cl)nn4)CCN3C2)c1 ZINC001164903548 721553349 /nfs/dbraw/zinc/55/33/49/721553349.db2.gz CFLPCBYLAUUYIP-GOEBONIOSA-N 0 1 428.842 3.078 20 0 IGADMN CC(C)c1nc(N(C)C)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908549 721710847 /nfs/dbraw/zinc/71/08/47/721710847.db2.gz XWIMCQRYTJZJBK-NRFANRHFSA-N 0 1 431.535 3.194 20 0 IGADMN CCOC(=O)c1cnc(CC)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913156 721732877 /nfs/dbraw/zinc/73/28/77/721732877.db2.gz UMYDSGIORSJWTH-JOCHJYFZSA-N 0 1 445.514 3.348 20 0 IGADMN F[C@@H](Oc1cncc(Cl)n1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164911240 721733686 /nfs/dbraw/zinc/73/36/86/721733686.db2.gz JFONKRGRPRILSH-QZTJIDSGSA-N 0 1 427.858 3.390 20 0 IGADMN CN(C)C(=O)CN1CCC2(CCCN2c2ncnc3c(-c4ccccc4)nsc32)CC1 ZINC001165011317 721745789 /nfs/dbraw/zinc/74/57/89/721745789.db2.gz VIBPSCBTNZJIKJ-UHFFFAOYSA-N 0 1 436.585 3.276 20 0 IGADMN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)C[C@H]21 ZINC001165021440 721821697 /nfs/dbraw/zinc/82/16/97/721821697.db2.gz FPVJBFFPRCVBNW-KBAYOESNSA-N 0 1 434.993 3.270 20 0 IGADMN CCOC(=O)c1cc(Cl)nnc1N(C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001165021517 721839292 /nfs/dbraw/zinc/83/92/92/721839292.db2.gz NJXXNXXYGDGMIS-UHFFFAOYSA-N 0 1 448.951 3.425 20 0 IGADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc3c2ncn3C)CC1 ZINC001165021548 721840065 /nfs/dbraw/zinc/84/00/65/721840065.db2.gz OCTKJDLAUGZXCX-UHFFFAOYSA-N 0 1 430.940 3.135 20 0 IGADMN O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CCN(C2CCCC2)CC1 ZINC001165032244 721859087 /nfs/dbraw/zinc/85/90/87/721859087.db2.gz NUOQCHANTXCZOJ-OAQYLSRUSA-N 0 1 436.963 3.057 20 0 IGADMN c1cnc(-c2nc3sc4c(c3c(N3CCN(C[C@@H]5CCCO5)CC3)n2)CCCC4)cn1 ZINC000060858339 721921094 /nfs/dbraw/zinc/92/10/94/721921094.db2.gz NKLYXECXWLJNCP-INIZCTEOSA-N 0 1 436.585 3.328 20 0 IGADMN CCOC(=O)c1c2ccccn2c2ncnc(N3CCN(CCOc4ccccc4)CC3)c21 ZINC001165041922 721952027 /nfs/dbraw/zinc/95/20/27/721952027.db2.gz BZIMUASLRTZUFC-UHFFFAOYSA-N 0 1 445.523 3.260 20 0 IGADMN COc1nc(-c2ccccc2)nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963815 722057286 /nfs/dbraw/zinc/05/72/86/722057286.db2.gz MGHNWGOCMSWYMU-UHFFFAOYSA-N 0 1 446.555 3.061 20 0 IGADMN COC(=O)c1cc2ccccc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979562 722129993 /nfs/dbraw/zinc/12/99/93/722129993.db2.gz LFBSZILPCQVMNT-NFBKMPQASA-N 0 1 432.524 3.144 20 0 IGADMN CCOC(=O)N1CCc2nnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)cc2C1 ZINC001164997196 722208548 /nfs/dbraw/zinc/20/85/48/722208548.db2.gz WZXXYYMQUXJCPD-DEOSSOPVSA-N 0 1 439.535 3.375 20 0 IGADMN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)[C@@H]2C1 ZINC001164994314 722214713 /nfs/dbraw/zinc/21/47/13/722214713.db2.gz ALRJLLFZQVSDIU-QPTUXGOLSA-N 0 1 434.584 3.148 20 0 IGADMN Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC001164631274 719178104 /nfs/dbraw/zinc/17/81/04/719178104.db2.gz BDQGAXJRGNBIJV-SJORKVTESA-N 0 1 425.558 3.268 20 0 IGADMN [O-][n+]1ccc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1Cl ZINC001164706802 719909617 /nfs/dbraw/zinc/90/96/17/719909617.db2.gz KNAKCVQJQJERBA-UHFFFAOYSA-N 0 1 429.920 3.451 20 0 IGADMN CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164723081 720381476 /nfs/dbraw/zinc/38/14/76/720381476.db2.gz GADLNRDQOYGAFF-LSDHHAIUSA-N 0 1 433.965 3.277 20 0 IGADMN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c12 ZINC001164857172 720995018 /nfs/dbraw/zinc/99/50/18/720995018.db2.gz CPMCKIFKULFLCB-LBPRGKRZSA-N 0 1 431.928 3.016 20 0 IGADMN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c12 ZINC001164857170 720997822 /nfs/dbraw/zinc/99/78/22/720997822.db2.gz CPMCKIFKULFLCB-GFCCVEGCSA-N 0 1 431.928 3.016 20 0 IGADMN c1cnn(Cc2cnc3n2CCN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)CC3)c1 ZINC001164861481 721032144 /nfs/dbraw/zinc/03/21/44/721032144.db2.gz HYKFCHQKBFAMGW-UHFFFAOYSA-N 0 1 439.567 3.144 20 0 IGADMN COc1ccc(Oc2cc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nc(C)n2)cc1 ZINC001164760668 721231868 /nfs/dbraw/zinc/23/18/68/721231868.db2.gz FRPQYRCVYMCWJA-VQTJNVASSA-N 0 1 434.544 3.278 20 0 IGADMN COc1ccc(Cc2c(C)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nc2C)cc1 ZINC001164763897 721234596 /nfs/dbraw/zinc/23/45/96/721234596.db2.gz NXABHXSIDUSKEM-XZOQPEGZSA-N 0 1 446.599 3.385 20 0 IGADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ncccc43)C2)C1 ZINC001164778388 721338273 /nfs/dbraw/zinc/33/82/73/721338273.db2.gz VAGRFMCNDPPEEO-QFIPXVFZSA-N 0 1 442.951 3.402 20 0 IGADMN 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ZINC001164886285 721420973 /nfs/dbraw/zinc/42/09/73/721420973.db2.gz IPSBFXKMQKEMMO-XLIONFOSSA-N 0 1 428.955 3.354 20 0 IGADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(-c5ccc(F)cc5)nn4)C3)O2)CC1 ZINC001164896078 721438919 /nfs/dbraw/zinc/43/89/19/721438919.db2.gz QKCLAVVXOXNOAG-ZJSXRUAMSA-N 0 1 425.552 3.048 20 0 IGADMN CCc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nn2)cc1 ZINC001164894428 721440161 /nfs/dbraw/zinc/44/01/61/721440161.db2.gz MOLMXXAQOFTUHX-BVAGGSTKSA-N 0 1 435.616 3.471 20 0 IGADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccccc5F)nn4)C3)O2)CC1 ZINC001164899173 721441056 /nfs/dbraw/zinc/44/10/56/721441056.db2.gz YBNFJRGPEXNXAW-DVECYGJZSA-N 0 1 425.552 3.048 20 0 IGADMN c1cnn(C[C@H]2Cn3ccnc3CN(c3ccc4c(n3)CCN(Cc3ccccc3)C4)C2)c1 ZINC001164893839 721486159 /nfs/dbraw/zinc/48/61/59/721486159.db2.gz DNSVBLHDLQLYMA-QFIPXVFZSA-N 0 1 439.567 3.370 20 0 IGADMN COC(=O)c1ccc2nc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)ccc2c1 ZINC001164804587 721548700 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CC(C)N(C)Cc1nnc2n1CCCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)C2 ZINC001165011766 721699941 /nfs/dbraw/zinc/69/99/41/721699941.db2.gz YGBJYBPHNRLGGS-UHFFFAOYSA-N 0 1 445.615 3.482 20 0 IGADMN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)C[C@@H]21 ZINC001165021443 721822010 /nfs/dbraw/zinc/82/20/10/721822010.db2.gz FPVJBFFPRCVBNW-RYQLBKOJSA-N 0 1 434.993 3.270 20 0 IGADMN COC(=O)c1cnc(Cl)nc1N(C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001165020268 721838098 /nfs/dbraw/zinc/83/80/98/721838098.db2.gz HBPOYNDTXBTCDL-UHFFFAOYSA-N 0 1 434.924 3.035 20 0 IGADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)cc(C)c2C(N)=O)CC1 ZINC001165020246 721838211 /nfs/dbraw/zinc/83/82/11/721838211.db2.gz GPOSQIDPEHVBCA-UHFFFAOYSA-N 0 1 432.952 3.260 20 0 IGADMN Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001164632040 719236518 /nfs/dbraw/zinc/23/65/18/719236518.db2.gz HTDGSCLKTADEDH-IRXDYDNUSA-N 0 1 425.558 3.268 20 0 IGADMN c1cn(Cc2noc3c2CN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)CC3)cn1 ZINC001164678404 719563387 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BITJKGSTIWNGHI-DHIUTWEWSA-N 0 1 431.540 3.178 20 0 IGADMN COC(=O)c1cc2ccccc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979565 722130091 /nfs/dbraw/zinc/13/00/91/722130091.db2.gz LFBSZILPCQVMNT-NZQKXSOJSA-N 0 1 432.524 3.144 20 0 IGADMN CCCSc1ncnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1OC ZINC001164971686 722156553 /nfs/dbraw/zinc/15/65/53/722156553.db2.gz CYQNMYVLXWQYHN-RBUKOAKNSA-N 0 1 429.590 3.110 20 0 IGADMN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(C)cc(N5CCCC5)n4)CC[C@H]32)cs1 ZINC001164989526 722173338 /nfs/dbraw/zinc/17/33/38/722173338.db2.gz TZNHUVBFGISOQM-WOJBJXKFSA-N 0 1 428.606 3.020 20 0 IGADMN COC(=O)c1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1C(=O)OC ZINC001164993989 722193456 /nfs/dbraw/zinc/19/34/56/722193456.db2.gz KIOYXBMHIGFYNK-HSZRJFAPSA-N 0 1 427.476 3.039 20 0 IGADMN Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001164632038 719236654 /nfs/dbraw/zinc/23/66/54/719236654.db2.gz HTDGSCLKTADEDH-DLBZAZTESA-N 0 1 425.558 3.268 20 0 IGADMN 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CCOC(=O)c1cc2ccnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2[nH]1 ZINC001164803066 721547862 /nfs/dbraw/zinc/54/78/62/721547862.db2.gz HQFDKIOYRDHLNY-URVUXULASA-N 0 1 435.528 3.003 20 0 IGADMN CC(C)c1nc(N(C)C)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908550 721710919 /nfs/dbraw/zinc/71/09/19/721710919.db2.gz XWIMCQRYTJZJBK-OAQYLSRUSA-N 0 1 431.535 3.194 20 0 IGADMN FC1(F)CCN(c2ncc3ncnc(Cl)c3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906635 721715468 /nfs/dbraw/zinc/71/54/68/721715468.db2.gz NJYYOPVKQJGLHJ-LJQANCHMSA-N 0 1 431.878 3.206 20 0 IGADMN COCCOC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164909771 721733962 /nfs/dbraw/zinc/73/39/62/721733962.db2.gz DPRGDBVLOPBPGO-JOCHJYFZSA-N 0 1 446.498 3.018 20 0 IGADMN CN(C)C(=O)CN1CCC2(CCCN2c2cc(Cl)nc(Cc3ccccc3)n2)CC1 ZINC001165010137 721735539 /nfs/dbraw/zinc/73/55/39/721735539.db2.gz BRLADMGEEJHZES-UHFFFAOYSA-N 0 1 427.980 3.244 20 0 IGADMN CNC(=O)c1nc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)ccc1Cl ZINC001165020358 721842127 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