smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n(CCCNC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)n1 ZINC000426477319 231224609 /nfs/dbraw/zinc/22/46/09/231224609.db2.gz CCQRFOXMFYCKBY-LJQANCHMSA-N 0 1 379.468 2.365 50 0 GEAAMN NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000006235054 531523155 /nfs/dbraw/zinc/52/31/55/531523155.db2.gz KWTRHAAVLXANLC-UHFFFAOYSA-N 0 1 380.369 2.154 50 0 GEAAMN O=C(CCN1C(=O)SC(=Cc2cccs2)C1=O)NCCc1cnc[nH]1 ZINC000009187757 531549859 /nfs/dbraw/zinc/54/98/59/531549859.db2.gz UCASIENPLXWLND-JYRVWZFOSA-N 0 1 376.463 2.257 50 0 GEAAMN CN1CCN([C@@H](CNS(=O)(=O)Cc2ccccc2)c2ccsc2)CC1 ZINC000020953592 531582233 /nfs/dbraw/zinc/58/22/33/531582233.db2.gz ZJOSUWPIGCRCHZ-SFHVURJKSA-N 0 1 379.551 2.156 50 0 GEAAMN COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3[nH]nc4ccccc43)CC2)c1 ZINC000025518291 203789085 /nfs/dbraw/zinc/78/90/85/203789085.db2.gz LNSBAULIAYMOLH-UHFFFAOYSA-N 0 1 394.431 2.178 50 0 GEAAMN COC(=O)COc1ccc2ccccc2c1[C@H]1NC(=O)N=C(C)C1C(=O)OC ZINC000001057305 203878346 /nfs/dbraw/zinc/87/83/46/203878346.db2.gz ZYMZQWGNXYYJIH-SFHVURJKSA-N 0 1 384.388 2.193 50 0 GEAAMN COc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c(OC)c1 ZINC000004270333 204036199 /nfs/dbraw/zinc/03/61/99/204036199.db2.gz YQJIXTWWWCPECZ-UHFFFAOYSA-N 0 1 388.445 2.340 50 0 GEAAMN COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2OC)c2nn[nH]n2)c1 ZINC000005483529 204134744 /nfs/dbraw/zinc/13/47/44/204134744.db2.gz LNWGVYFNDMITSK-CQSZACIVSA-N 0 1 383.408 2.191 50 0 GEAAMN COc1ccc(NC(=O)[C@@H](Cc2ccc(OC)cc2OC)c2nn[nH]n2)cc1 ZINC000005670568 204146444 /nfs/dbraw/zinc/14/64/44/204146444.db2.gz BBGRGVXNAYQCJP-INIZCTEOSA-N 0 1 383.408 2.191 50 0 GEAAMN CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)nc2sccn2c1=O ZINC000006859746 204215781 /nfs/dbraw/zinc/21/57/81/204215781.db2.gz USHBSRDWVNXHRH-AWEZNQCLSA-N 0 1 377.491 2.364 50 0 GEAAMN O=C(C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCc1ccc(F)cc1 ZINC000006237764 204173134 /nfs/dbraw/zinc/17/31/34/204173134.db2.gz RTCXWGFDSSLGLB-HNNXBMFYSA-N 0 1 382.420 2.200 50 0 GEAAMN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccccn2)N(CCN(C)C)C1=O ZINC000006660931 204190824 /nfs/dbraw/zinc/19/08/24/204190824.db2.gz ZPXHZSGFFUNCTR-GOSISDBHSA-N 0 1 379.416 2.303 50 0 GEAAMN CCN(C(=O)[C@H](C)Sc1nc2ccc(C)cc2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000007061269 204232962 /nfs/dbraw/zinc/23/29/62/204232962.db2.gz YRTKMFFCQMXCJJ-QWHCGFSZSA-N 0 1 381.523 2.388 50 0 GEAAMN CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000007735722 204249294 /nfs/dbraw/zinc/24/92/94/204249294.db2.gz AXRZYHMKKWHKNC-KRWDZBQOSA-N 0 1 376.478 2.391 50 0 GEAAMN COc1cc(NC(=O)[C@H]2CCCN(c3ncnc4[nH]cnc43)C2)cc(OC)c1 ZINC000009418487 204309653 /nfs/dbraw/zinc/30/96/53/204309653.db2.gz WUYFHWBUHSDBMR-LBPRGKRZSA-N 0 1 382.424 2.225 50 0 GEAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000009468245 204312343 /nfs/dbraw/zinc/31/23/43/204312343.db2.gz PHAGCZJVEGLBHM-UHFFFAOYSA-N 0 1 399.428 2.437 50 0 GEAAMN CC[C@@]1(C)NC(=O)N(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)C1=O ZINC000009502244 204313589 /nfs/dbraw/zinc/31/35/89/204313589.db2.gz WOVYWVUMGGAPOV-QGZVFWFLSA-N 0 1 377.470 2.428 50 0 GEAAMN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2cccc(F)c2)c(C)n1C ZINC000009685198 204320445 /nfs/dbraw/zinc/32/04/45/204320445.db2.gz OJDFBWHIEBLXFW-UHFFFAOYSA-N 0 1 395.456 2.054 50 0 GEAAMN COc1ccc(-n2[nH]c(CSc3nnnn3-c3ccccc3)cc2=O)cc1 ZINC000009939670 204327271 /nfs/dbraw/zinc/32/72/71/204327271.db2.gz CDWGKXLLBGNGPC-UHFFFAOYSA-N 0 1 380.433 2.442 50 0 GEAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@@H](CCC(=O)N2CCN(C)CC2)C1 ZINC000011753938 204352139 /nfs/dbraw/zinc/35/21/39/204352139.db2.gz LKTKEDWDVDXKIT-INIZCTEOSA-N 0 1 381.952 2.148 50 0 GEAAMN Cc1c(CC(=O)NCc2nnc[nH]2)c2c(n1Cc1ccccc1F)CCCC2=O ZINC000011947060 204364942 /nfs/dbraw/zinc/36/49/42/204364942.db2.gz KZFVIVSNMVQUPQ-UHFFFAOYSA-N 0 1 395.438 2.480 50 0 GEAAMN O=C(NCCc1nnc2n1CCN(C/C=C/c1ccccc1)CC2)c1ccoc1 ZINC000012036568 204368976 /nfs/dbraw/zinc/36/89/76/204368976.db2.gz ABFLLWFZFYERHO-QPJJXVBHSA-N 0 1 391.475 2.415 50 0 GEAAMN COc1ccc(OC)c(CN2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)c1 ZINC000012278515 204388891 /nfs/dbraw/zinc/38/88/91/204388891.db2.gz UAHFXUMDDDEGKK-UHFFFAOYSA-N 0 1 387.484 2.271 50 0 GEAAMN O=C(Cc1[nH]nc2ccccc21)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012300253 204390930 /nfs/dbraw/zinc/39/09/30/204390930.db2.gz KNIGEZDPGSGFOP-INIZCTEOSA-N 0 1 380.423 2.204 50 0 GEAAMN O=C(c1cc(COc2ccccc2)n[nH]1)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 ZINC000012300225 204391162 /nfs/dbraw/zinc/39/11/62/204391162.db2.gz QFGMEOUCFAPAFD-IBGZPJMESA-N 0 1 394.406 2.441 50 0 GEAAMN CN(C[C@H]1COCCO1)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000012307296 204393538 /nfs/dbraw/zinc/39/35/38/204393538.db2.gz TXJMWWHSCKLITD-HNNXBMFYSA-N 0 1 399.369 2.495 50 0 GEAAMN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1cccnc1)CC2 ZINC000020915660 204744969 /nfs/dbraw/zinc/74/49/69/204744969.db2.gz ZCUZTADXUANPFS-UHFFFAOYSA-N 0 1 379.464 2.296 50 0 GEAAMN COc1cccc(CO[C@@H](C)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000040107277 205053336 /nfs/dbraw/zinc/05/33/36/205053336.db2.gz DLBDBGYRAALWGQ-PXNSSMCTSA-N 0 1 376.497 2.314 50 0 GEAAMN COc1cccc([C@@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)N(C)C)c1 ZINC000053271268 205134999 /nfs/dbraw/zinc/13/49/99/205134999.db2.gz BJUJBMWLQUKBLX-LJQANCHMSA-N 0 1 396.495 2.101 50 0 GEAAMN COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000055244024 205144838 /nfs/dbraw/zinc/14/48/38/205144838.db2.gz FROQUDLSCUDMOA-IBGZPJMESA-N 0 1 383.496 2.063 50 0 GEAAMN O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000057063774 205152894 /nfs/dbraw/zinc/15/28/94/205152894.db2.gz RCQQKHQFDDVXPI-RQXXJAGISA-N 0 1 391.402 2.257 50 0 GEAAMN CCNC(=O)CN1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 ZINC000056925474 205153054 /nfs/dbraw/zinc/15/30/54/205153054.db2.gz REIIRFYBGSELJZ-UHFFFAOYSA-N 0 1 389.887 2.014 50 0 GEAAMN Cc1ccc(-c2noc(CCCN3CCC[C@H](NS(C)(=O)=O)C3)n2)cc1F ZINC000059403293 205177978 /nfs/dbraw/zinc/17/79/78/205177978.db2.gz PGXYMJPBCZYRDD-HNNXBMFYSA-N 0 1 396.488 2.130 50 0 GEAAMN CCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3cc(F)cc(F)c3)cn21 ZINC000065247300 205221605 /nfs/dbraw/zinc/22/16/05/205221605.db2.gz CQYYIRWEXAFKEU-UHFFFAOYSA-N 0 1 382.392 2.157 50 0 GEAAMN Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cccs2)n1 ZINC000067629474 205251896 /nfs/dbraw/zinc/25/18/96/205251896.db2.gz OXNUKVPFPIGAET-UHFFFAOYSA-N 0 1 381.527 2.227 50 0 GEAAMN CCCn1nc(C(=O)[O-])c2c1CC[C@H]([NH+]1CCN(C(=O)C(C)(C)C)CC1)C2 ZINC000067648836 205252799 /nfs/dbraw/zinc/25/27/99/205252799.db2.gz NQPOFQFVUCTQAR-AWEZNQCLSA-N 0 1 376.501 2.039 50 0 GEAAMN O=C(c1ccc(NCc2ccccn2)nc1)N1CCC(N2CCOCC2)CC1 ZINC000067726093 205255754 /nfs/dbraw/zinc/25/57/54/205255754.db2.gz XRTFAEVCIJAAAQ-UHFFFAOYSA-N 0 1 381.480 2.026 50 0 GEAAMN CC(C)c1ccc(CN2CCC[C@@](O)(CNCc3cccnc3N)C2=O)cc1 ZINC000067756266 205259084 /nfs/dbraw/zinc/25/90/84/205259084.db2.gz RYYULDRPZONHCM-JOCHJYFZSA-N 0 1 382.508 2.431 50 0 GEAAMN Cc1nc2cc(OCc3nc(C(=O)N[C@@H](C)c4nn[nH]n4)co3)ccc2s1 ZINC000067833779 205262875 /nfs/dbraw/zinc/26/28/75/205262875.db2.gz FPVGRYNIRWAXHN-QMMMGPOBSA-N 0 1 385.409 2.176 50 0 GEAAMN O=C(Nc1nncs1)c1cccc(CN2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000067955844 205268068 /nfs/dbraw/zinc/26/80/68/205268068.db2.gz UJBQXQVDKMPQMF-QGZVFWFLSA-N 0 1 387.509 2.087 50 0 GEAAMN O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)c1c[nH]c(=O)cn1 ZINC000067921214 205268521 /nfs/dbraw/zinc/26/85/21/205268521.db2.gz UBWLWSUYHYNQLV-UHFFFAOYSA-N 0 1 390.378 2.291 50 0 GEAAMN O=C(CN1CCC[C@@H](O)C1)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067955738 205268826 /nfs/dbraw/zinc/26/88/26/205268826.db2.gz DZWOHJPVXHWQDJ-GOSISDBHSA-N 0 1 386.471 2.379 50 0 GEAAMN COc1ccc(F)c(CN2CCC[C@](O)(CN(C)Cc3ccccn3)C2=O)c1 ZINC000067934630 205269211 /nfs/dbraw/zinc/26/92/11/205269211.db2.gz OCLNHEPFUPZKKV-NRFANRHFSA-N 0 1 387.455 2.215 50 0 GEAAMN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)N2CCC(O)CC2)[C@H](c2ccc(F)cc2)[N@H+]1C ZINC000067975728 205270154 /nfs/dbraw/zinc/27/01/54/205270154.db2.gz YLELNIGPWBBXAM-ZWOKBUDYSA-N 0 1 378.444 2.035 50 0 GEAAMN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000072313990 205324278 /nfs/dbraw/zinc/32/42/78/205324278.db2.gz JMAZWANCADHOPE-SNVBAGLBSA-N 0 1 376.360 2.272 50 0 GEAAMN CCCOc1cc(Cl)c(CN2CCN[C@@H](C(=O)NC3CC3)C2)cc1OC ZINC000072144844 205311037 /nfs/dbraw/zinc/31/10/37/205311037.db2.gz GYIGIVNZWUNAOJ-MRXNPFEDSA-N 0 1 381.904 2.190 50 0 GEAAMN CN(C)C(=O)CC[C@H]1CCCN(Cc2cc(Cl)ccc2OCC(N)=O)C1 ZINC000072151578 205312368 /nfs/dbraw/zinc/31/23/68/205312368.db2.gz YUOZRCFQKAIBLS-CQSZACIVSA-N 0 1 381.904 2.285 50 0 GEAAMN O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1ccc(-c2nnc[nH]2)cc1 ZINC000072152835 205313195 /nfs/dbraw/zinc/31/31/95/205313195.db2.gz KIJSRVGTQNQHPQ-KRWDZBQOSA-N 0 1 379.395 2.142 50 0 GEAAMN CCn1nc(CC(C)C)cc1C(=O)N1CCC2(C[C@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000072168073 205315631 /nfs/dbraw/zinc/31/56/31/205315631.db2.gz HLSFPCYLAIFJPZ-QGZVFWFLSA-N 0 1 376.501 2.113 50 0 GEAAMN CC(C)(C)c1cc(CN2CCOC[C@@H]2CC(=O)Nc2cccc(CO)c2)n[nH]1 ZINC000072429408 205351630 /nfs/dbraw/zinc/35/16/30/205351630.db2.gz GVDHBCWEBKOFGY-SFHVURJKSA-N 0 1 386.496 2.429 50 0 GEAAMN CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)CCc1cc2n(n1)CCNC2 ZINC000072470102 205354097 /nfs/dbraw/zinc/35/40/97/205354097.db2.gz AOYZRRQOAZXYGR-UHFFFAOYSA-N 0 1 380.496 2.195 50 0 GEAAMN CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)CCc1cc2n(n1)CCNC2 ZINC000072470102 205354100 /nfs/dbraw/zinc/35/41/00/205354100.db2.gz AOYZRRQOAZXYGR-UHFFFAOYSA-N 0 1 380.496 2.195 50 0 GEAAMN O=C(c1ccncc1)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 ZINC000077422071 205362953 /nfs/dbraw/zinc/36/29/53/205362953.db2.gz ISIOZQBDDGLPGE-UHFFFAOYSA-N 0 1 394.456 2.476 50 0 GEAAMN O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072419575 205346258 /nfs/dbraw/zinc/34/62/58/205346258.db2.gz IRAIMFIWTYKVLE-UHFFFAOYSA-N 0 1 378.476 2.310 50 0 GEAAMN O=C(c1cnc(C2CC2)[n-]c1=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072419575 205346262 /nfs/dbraw/zinc/34/62/62/205346262.db2.gz IRAIMFIWTYKVLE-UHFFFAOYSA-N 0 1 378.476 2.310 50 0 GEAAMN COc1cccc(CN2CCC[C@H](NC(=O)c3ccnc(-n4cnnc4)c3)C2)c1 ZINC000072420275 205346905 /nfs/dbraw/zinc/34/69/05/205346905.db2.gz LHDMUMOFCWMFEO-SFHVURJKSA-N 0 1 392.463 2.065 50 0 GEAAMN O=C(c1cc(C2CC2)[nH]n1)N1CCn2nc(CN3CCC(F)(F)CC3)cc2C1 ZINC000072424514 205349511 /nfs/dbraw/zinc/34/95/11/205349511.db2.gz TVGWYCQAXCNNGL-UHFFFAOYSA-N 0 1 390.438 2.371 50 0 GEAAMN CSc1nnc(CC2CCN(C(=O)CCc3n[nH]c(C)c3C)CC2)n1C ZINC000082160674 205389772 /nfs/dbraw/zinc/38/97/72/205389772.db2.gz XQFIJODIPLNUON-UHFFFAOYSA-N 0 1 376.530 2.291 50 0 GEAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000004270427 205743664 /nfs/dbraw/zinc/74/36/64/205743664.db2.gz DEKQRJKOHNBOGY-UHFFFAOYSA-N 0 1 388.445 2.340 50 0 GEAAMN CC/C=C/C(=O)OCC1=NC(=O)N[C@H](c2ccc(OC)cc2)C1C(=O)OCC ZINC000008394587 205794202 /nfs/dbraw/zinc/79/42/02/205794202.db2.gz ILHUFZYVBJLJRO-IPLHWJFFSA-N 0 1 388.420 2.376 50 0 GEAAMN 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GEAAMN CN1CCc2nc[nH]c2C12CCN(C(=O)c1ccccc1-n1cccn1)CC2 ZINC000092097323 571044935 /nfs/dbraw/zinc/04/49/35/571044935.db2.gz WJEULXQIIMFDTB-UHFFFAOYSA-N 0 1 376.464 2.215 50 0 GEAAMN Cc1cc(C)c(C(=O)N2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000095372426 571061892 /nfs/dbraw/zinc/06/18/92/571061892.db2.gz WSFZRRAOGHSWJL-QFIPXVFZSA-N 0 1 384.524 2.247 50 0 GEAAMN Cc1ccc(F)cc1[C@H](C(=O)[O-])N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000095372726 571062291 /nfs/dbraw/zinc/06/22/91/571062291.db2.gz RXMXKNAYBPCIPC-QGZVFWFLSA-N 0 1 377.460 2.066 50 0 GEAAMN CCc1ncc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095376857 571064707 /nfs/dbraw/zinc/06/47/07/571064707.db2.gz WXJROVIYKAZLRH-CEWLAPEOSA-N 0 1 378.476 2.447 50 0 GEAAMN CCCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)no1 ZINC000095498650 571074970 /nfs/dbraw/zinc/07/49/70/571074970.db2.gz SSADGVOKZGHNOC-UHFFFAOYSA-N 0 1 397.479 2.276 50 0 GEAAMN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)c3ccn[nH]3)CC2)c1 ZINC000095500396 571075684 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Cc1ccc(C(=O)CCCN2C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C2)cc1 ZINC000095531015 571093429 /nfs/dbraw/zinc/09/34/29/571093429.db2.gz BOADOYKTCVJYGX-RBUKOAKNSA-N 0 1 395.569 2.310 50 0 GEAAMN O=C([O-])c1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000249373820 601241257 /nfs/dbraw/zinc/24/12/57/601241257.db2.gz GBZSOWUCDWRVSX-VIFPVBQESA-N 0 1 379.265 2.160 50 0 GEAAMN CNC(=O)c1ccnc(-c2ccc(C(=O)N3CC(N4CCCCC4)C3)cc2)c1 ZINC000426487415 529952610 /nfs/dbraw/zinc/95/26/10/529952610.db2.gz OWNRIKZJBGLGPR-UHFFFAOYSA-N 0 1 378.476 2.419 50 0 GEAAMN O=c1ccc(=O)n(-c2ccccc2)n1CCCN1CCN(c2ccccc2)CC1 ZINC000003851405 204021130 /nfs/dbraw/zinc/02/11/30/204021130.db2.gz IKNKLGVHIZIKPO-UHFFFAOYSA-N 0 1 390.487 2.212 50 0 GEAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 ZINC000004678096 204063397 /nfs/dbraw/zinc/06/33/97/204063397.db2.gz VJWWVFFYTGFENQ-UHFFFAOYSA-N 0 1 376.463 2.250 50 0 GEAAMN COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccccc1 ZINC000005075811 204109780 /nfs/dbraw/zinc/10/97/80/204109780.db2.gz VEDLYLZGVAEJDT-UHFFFAOYSA-N 0 1 382.463 2.036 50 0 GEAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000005075415 204109871 /nfs/dbraw/zinc/10/98/71/204109871.db2.gz KMYFRTNVCFOHOF-UHFFFAOYSA-N 0 1 396.490 2.344 50 0 GEAAMN COc1cccc(CN(C)C[C@H](O)COCc2ccc3c(c2)OCO3)c1OC ZINC000006605284 204186945 /nfs/dbraw/zinc/18/69/45/204186945.db2.gz QBMDKYQPUOYTRC-KRWDZBQOSA-N 0 1 389.448 2.442 50 0 GEAAMN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccncc2)N(CCN(C)C)C1=O ZINC000006660405 204190741 /nfs/dbraw/zinc/19/07/41/204190741.db2.gz CJWBLMXJQLFWEV-GOSISDBHSA-N 0 1 379.416 2.303 50 0 GEAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N1CCNC1=O ZINC000007628560 204245268 /nfs/dbraw/zinc/24/52/68/204245268.db2.gz JAKAQXCUTCWOLP-QMMMGPOBSA-N 0 1 396.270 2.267 50 0 GEAAMN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]1 ZINC000008705025 204284116 /nfs/dbraw/zinc/28/41/16/204284116.db2.gz FZVGAXHQKKZULJ-LLVKDONJSA-N 0 1 395.510 2.017 50 0 GEAAMN Cc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000008705025 204284118 /nfs/dbraw/zinc/28/41/18/204284118.db2.gz FZVGAXHQKKZULJ-LLVKDONJSA-N 0 1 395.510 2.017 50 0 GEAAMN COc1cc(NC(=O)C2CCN(c3ncnc4[nH]cnc43)CC2)cc(OC)c1 ZINC000009060336 204298407 /nfs/dbraw/zinc/29/84/07/204298407.db2.gz NVQJDPRASBZRSS-UHFFFAOYSA-N 0 1 382.424 2.225 50 0 GEAAMN Cc1nnsc1C(=O)Nc1nnc(-c2cccc(S(=O)(=O)C(C)C)c2)o1 ZINC000036652593 204323435 /nfs/dbraw/zinc/32/34/35/204323435.db2.gz LVKRNVHPKSYYLV-UHFFFAOYSA-N 0 1 393.450 2.331 50 0 GEAAMN COc1ccc(CN2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000012027233 204367362 /nfs/dbraw/zinc/36/73/62/204367362.db2.gz VWJOXINUZKMWHW-HNNXBMFYSA-N 0 1 395.463 2.429 50 0 GEAAMN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)[nH]n4)C3)C2=O)c1 ZINC000012301618 204391279 /nfs/dbraw/zinc/39/12/79/204391279.db2.gz SKOKDACGYOKFIX-NRFANRHFSA-N 0 1 382.464 2.382 50 0 GEAAMN Cn1nc(C(=O)NCCc2ccccc2)c2c1CC[C@@H](N1CCSCC1)C2 ZINC000014752193 204541057 /nfs/dbraw/zinc/54/10/57/204541057.db2.gz NHSQCJLUNQAXSQ-QGZVFWFLSA-N 0 1 384.549 2.299 50 0 GEAAMN CCN(CC)Cc1c(C(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n1C ZINC000036366209 205015541 /nfs/dbraw/zinc/01/55/41/205015541.db2.gz XPXSVZVQPQAUBV-UHFFFAOYSA-N 0 1 385.508 2.454 50 0 GEAAMN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc4c[nH]nc43)CC2)c1 ZINC000037151088 205023288 /nfs/dbraw/zinc/02/32/88/205023288.db2.gz KMNCKUQRMSCUPX-UHFFFAOYSA-N 0 1 398.488 2.326 50 0 GEAAMN COc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCCN(c4ccccc4)CC3)C2)cc1 ZINC000039509433 205042768 /nfs/dbraw/zinc/04/27/68/205042768.db2.gz SMPQTLDBAVDLCF-VXKWHMMOSA-N 0 1 395.503 2.093 50 0 GEAAMN C[C@H]1CN(CCC(=O)N2CCC[C@H](C(N)=O)C2)Cc2cc(Cl)ccc2O1 ZINC000039490380 205042967 /nfs/dbraw/zinc/04/29/67/205042967.db2.gz WUXHCOAWLRHULP-KBPBESRZSA-N 0 1 379.888 2.037 50 0 GEAAMN Cn1cc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1C(N)=O ZINC000040074755 205049622 /nfs/dbraw/zinc/04/96/22/205049622.db2.gz MPQTYTSIZQPILR-UHFFFAOYSA-N 0 1 376.438 2.364 50 0 GEAAMN COc1ccc(CN2CCCN(C(=O)CCCCCNC(C)=O)CC2)cc1 ZINC000040086995 205051243 /nfs/dbraw/zinc/05/12/43/205051243.db2.gz ZVTDADKNJNULNZ-UHFFFAOYSA-N 0 1 375.513 2.426 50 0 GEAAMN COc1ccc2c(c1)[nH]cc(C(=O)NCc1ccc(-n3cccn3)nc1)c2=O ZINC000040145215 205058578 /nfs/dbraw/zinc/05/85/78/205058578.db2.gz NCXVSSMDLIRWOU-UHFFFAOYSA-N 0 1 375.388 2.047 50 0 GEAAMN COc1ccccc1-c1n[nH]c(NC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n1 ZINC000048236758 205114927 /nfs/dbraw/zinc/11/49/27/205114927.db2.gz NGKOSGQQOLRGIP-UHFFFAOYSA-N 0 1 380.408 2.297 50 0 GEAAMN COc1ccc(NC(=O)CN(C)C(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000048289546 205118149 /nfs/dbraw/zinc/11/81/49/205118149.db2.gz WWWQTBGPDHNIOW-UHFFFAOYSA-N 0 1 383.514 2.149 50 0 GEAAMN CC(C)CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000045966869 205100327 /nfs/dbraw/zinc/10/03/27/205100327.db2.gz QYIHKRCGAJOFDV-UHFFFAOYSA-N 0 1 396.329 2.369 50 0 GEAAMN O=C(CN1CCC[C@H](C(=O)NCC2CC2)C1)NC[C@@H]1CCCc2ccccc21 ZINC000052932298 205134714 /nfs/dbraw/zinc/13/47/14/205134714.db2.gz 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380.456 2.337 50 0 GEAAMN COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(F)cc4F)C(O)=C23)c(OC)c1 ZINC000013724276 570781438 /nfs/dbraw/zinc/78/14/38/570781438.db2.gz RVPLCVHAXXLTGH-RDJZCZTQSA-N 0 1 388.326 2.275 50 0 GEAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000007486146 570850451 /nfs/dbraw/zinc/85/04/51/570850451.db2.gz NRPTTXHAWWDHDA-UHFFFAOYSA-N 0 1 377.422 2.454 50 0 GEAAMN CC(C)c1nc(CN(C)C(=O)NCC2(CN3CCN(C)CC3)CC2)cs1 ZINC000534633653 570910956 /nfs/dbraw/zinc/91/09/56/570910956.db2.gz FYHCLKAKINFNLH-UHFFFAOYSA-N 0 1 379.574 2.436 50 0 GEAAMN CC(=O)N1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCC2)CC1 ZINC000534665509 570919441 /nfs/dbraw/zinc/91/94/41/570919441.db2.gz GSGUXTMJRHAXEP-GOSISDBHSA-N 0 1 378.904 2.351 50 0 GEAAMN CCCSc1nnc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)s1 ZINC000016752698 570932686 /nfs/dbraw/zinc/93/26/86/570932686.db2.gz VTBQJVSLXPDIRT-UHFFFAOYSA-N 0 1 393.903 2.139 50 0 GEAAMN CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(O)c(OCC)c3)C2=O)cc1 ZINC000001191957 570954005 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2.262 50 0 GEAAMN C[NH+](C)CCNC(=O)CCC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000095496940 571074520 /nfs/dbraw/zinc/07/45/20/571074520.db2.gz GXEYMMKXJQIDHL-UHFFFAOYSA-N 0 1 381.904 2.356 50 0 GEAAMN O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000095498599 571074874 /nfs/dbraw/zinc/07/48/74/571074874.db2.gz XZBGQAZYBKBEOY-UHFFFAOYSA-N 0 1 394.475 2.424 50 0 GEAAMN CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)CCc1ccc(O)cc1)CC2 ZINC000095499299 571075434 /nfs/dbraw/zinc/07/54/34/571075434.db2.gz QJPXWRNMZFQPRZ-UHFFFAOYSA-N 0 1 396.491 2.361 50 0 GEAAMN COCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000095509771 571081172 /nfs/dbraw/zinc/08/11/72/571081172.db2.gz TYSAKQFEVVRFBY-MRXNPFEDSA-N 0 1 380.452 2.334 50 0 GEAAMN CC(C)Nc1ncc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cn1 ZINC000095515296 571083426 /nfs/dbraw/zinc/08/34/26/571083426.db2.gz RBGRBMUYBDNZEP-KRWDZBQOSA-N 0 1 375.517 2.148 50 0 GEAAMN CCN1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1COc3ccccc3C1)CC2 ZINC000095513232 571083466 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Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000095992950 643089417 /nfs/dbraw/zinc/08/94/17/643089417.db2.gz HZXIIRIEQPNIHV-RYUDHWBXSA-N 0 1 392.257 2.076 50 0 GEAAMN CO[C@@H](CS(=O)(=O)Nc1nccc(I)c1C)C(C)C ZINC000888096915 654065835 /nfs/dbraw/zinc/06/58/35/654065835.db2.gz RDZSNRSTQKTARJ-NSHDSACASA-N 0 1 398.266 2.407 50 0 GEAAMN COc1cccc(-n2c(CN)nnc2SCc2noc([C@@H]3CCCO3)n2)c1 ZINC000426399126 231214697 /nfs/dbraw/zinc/21/46/97/231214697.db2.gz ZCXNJHWDPPVIHQ-ZDUSSCGKSA-N 0 1 388.453 2.261 50 0 GEAAMN Cn1c(CN)nnc1SCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000426485769 231226068 /nfs/dbraw/zinc/22/60/68/231226068.db2.gz OICNNXVGAVZNRP-UHFFFAOYSA-N 0 1 380.949 2.232 50 0 GEAAMN NC(=O)c1cncc(N2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)n1 ZINC000426563061 231241380 /nfs/dbraw/zinc/24/13/80/231241380.db2.gz AUPOYKWFRCJTRL-HXUWFJFHSA-N 0 1 387.434 2.346 50 0 GEAAMN COc1ccccc1-c1cc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)n[nH]1 ZINC000426693910 231253301 /nfs/dbraw/zinc/25/33/01/231253301.db2.gz 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O=C(CCNC(=O)Nc1ccccc1)NCC1(N2CCOCC2)CCCCC1 ZINC000022069608 570304265 /nfs/dbraw/zinc/30/42/65/570304265.db2.gz LJPVVWIHYKHYMN-UHFFFAOYSA-N 0 1 388.512 2.350 50 0 GEAAMN O=S(=O)(NCc1nnc[nH]1)c1c(Cl)cc(Br)cc1Cl ZINC000037921266 570359632 /nfs/dbraw/zinc/35/96/32/570359632.db2.gz AIXQPZQOTVUGEU-UHFFFAOYSA-N 0 1 386.058 2.353 50 0 GEAAMN COC(=O)C[C@H](c1ccc(C)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604404815 570361252 /nfs/dbraw/zinc/36/12/52/570361252.db2.gz SJCUDOIHVHONTE-OAHLLOKOSA-N 0 1 385.420 2.425 50 0 GEAAMN Cc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 ZINC000006309508 570367641 /nfs/dbraw/zinc/36/76/41/570367641.db2.gz QQHNDNBYPRZSBS-UHFFFAOYSA-N 0 1 399.432 2.237 50 0 GEAAMN Cc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1 ZINC000006309358 570367722 /nfs/dbraw/zinc/36/77/22/570367722.db2.gz ZDAQWBMRNIPBMG-UHFFFAOYSA-N 0 1 399.432 2.237 50 0 GEAAMN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cc2ccccc2o1)N(C)C ZINC000575621680 570370466 /nfs/dbraw/zinc/37/04/66/570370466.db2.gz 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2.042 50 0 GEAAMN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)cc1 ZINC000012055878 570602641 /nfs/dbraw/zinc/60/26/41/570602641.db2.gz FUYYUVHKBWXSBP-LJQANCHMSA-N 0 1 382.508 2.373 50 0 GEAAMN Cc1cc(C)n(CCN(C)C(=O)c2cc(COc3ccc4c(c3)OCO4)n[nH]2)n1 ZINC000012195046 570622851 /nfs/dbraw/zinc/62/28/51/570622851.db2.gz PMIUYPUYHLILOG-UHFFFAOYSA-N 0 1 397.435 2.303 50 0 GEAAMN Cc1nnc(NC(=O)[C@H]2CCCN(c3nc(Cl)nc4[nH]cnc43)C2)s1 ZINC000036357172 570637463 /nfs/dbraw/zinc/63/74/63/570637463.db2.gz FCFDPWYVSHUVJK-QMMMGPOBSA-N 0 1 378.849 2.021 50 0 GEAAMN COc1cccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(C)cc2)c1 ZINC000045966604 570650013 /nfs/dbraw/zinc/65/00/13/570650013.db2.gz WTNYEVROECMXDQ-UHFFFAOYSA-N 0 1 395.503 2.468 50 0 GEAAMN O=C(NCCN1CCC[C@H](O)C1)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000012429436 570658068 /nfs/dbraw/zinc/65/80/68/570658068.db2.gz XRQSATSKQCPNTL-ZDUSSCGKSA-N 0 1 397.834 2.233 50 0 GEAAMN Cc1csc(N2CCCN(C[C@@H](O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000229646966 570665705 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GEAAMN Cc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)n(C)n1 ZINC000055270096 570689762 /nfs/dbraw/zinc/68/97/62/570689762.db2.gz IGBQKYYAMOZYDU-IBGZPJMESA-N 0 1 381.524 2.464 50 0 GEAAMN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCN3CCCO3)C2)CC1 ZINC000055327571 570691894 /nfs/dbraw/zinc/69/18/94/570691894.db2.gz SMKCMZMUVYBCTD-FQEVSTJZSA-N 0 1 386.540 2.135 50 0 GEAAMN COc1ccc2c(c1)[nH]cc(C(=O)NCc1ccc(N3CCCC3)nc1)c2=O ZINC000058173800 570716000 /nfs/dbraw/zinc/71/60/00/570716000.db2.gz YJGZCHMWKWHZRL-UHFFFAOYSA-N 0 1 378.432 2.462 50 0 GEAAMN CCN(CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC)cc1)c1ccco1 ZINC000058181038 570716914 /nfs/dbraw/zinc/71/69/14/570716914.db2.gz QJFIPWWKPYBVJD-INIZCTEOSA-N 0 1 379.482 2.001 50 0 GEAAMN COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F ZINC000036569680 570741088 /nfs/dbraw/zinc/74/10/88/570741088.db2.gz KXOMIGIKZKSVSE-PSLIRLAXSA-N 0 1 380.807 2.421 50 0 GEAAMN COCCN1CCn2cc(S(=O)(=O)Nc3cccc(Cl)c3)cc2C1=O ZINC000065254853 570752347 /nfs/dbraw/zinc/75/23/47/570752347.db2.gz BNYJUYYJLHOQIP-UHFFFAOYSA-N 0 1 383.857 2.045 50 0 GEAAMN CN(C)[C@@H](CNC(=O)CCN1C(=O)COc2ccccc21)c1cccc(F)c1 ZINC000032729101 570769452 /nfs/dbraw/zinc/76/94/52/570769452.db2.gz VWLGFLFVYAKJED-SFHVURJKSA-N 0 1 385.439 2.360 50 0 GEAAMN COc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000032793438 570814938 /nfs/dbraw/zinc/81/49/38/570814938.db2.gz RAEGNTVVGZGSAM-STQMWFEESA-N 0 1 377.466 2.020 50 0 GEAAMN O=C1C[C@H]([C@@H]2CCCC=C2N2CCOCC2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000101130471 570815847 /nfs/dbraw/zinc/81/58/47/570815847.db2.gz UBRZZVLLFUBIET-DLBZAZTESA-N 0 1 398.459 2.307 50 0 GEAAMN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C1=NN[C@@H](c2ccc(O)cc2)C1 ZINC000101465299 570823198 /nfs/dbraw/zinc/82/31/98/570823198.db2.gz FMKVDNRCDWNZBE-CQSZACIVSA-N 0 1 398.806 2.029 50 0 GEAAMN O=C(CSc1nnnn1-c1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000007339978 570830797 /nfs/dbraw/zinc/83/07/97/570830797.db2.gz PGFKZXWHOXBNEP-QGZVFWFLSA-N 0 1 394.504 2.145 50 0 GEAAMN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c([O-])c1C1=NN[C@@H](c2cccs2)C1 ZINC000101762730 570832597 /nfs/dbraw/zinc/83/25/97/570832597.db2.gz PYWXNHYGRZKRIG-LLVKDONJSA-N 0 1 388.836 2.385 50 0 GEAAMN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1C1=NN[C@@H](c2cccs2)C1 ZINC000101762730 570832601 /nfs/dbraw/zinc/83/26/01/570832601.db2.gz PYWXNHYGRZKRIG-LLVKDONJSA-N 0 1 388.836 2.385 50 0 GEAAMN COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(C3CCCCC3)c2=O)=NN1 ZINC000101762167 570832836 /nfs/dbraw/zinc/83/28/36/570832836.db2.gz ANMYCMSQMAEIFL-CQSZACIVSA-N 0 1 384.436 2.195 50 0 GEAAMN O=c1[nH]c([O-])c(C2=NN[C@H](c3ccc(Cl)cc3)C2)c(=O)n1Cc1ccccc1 ZINC000101762404 570832904 /nfs/dbraw/zinc/83/29/04/570832904.db2.gz AXRPKKHWNAHTRI-HNNXBMFYSA-N 0 1 396.834 2.383 50 0 GEAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=NN[C@H](c2ccc(O)cc2)C1 ZINC000101763255 570833303 /nfs/dbraw/zinc/83/33/03/570833303.db2.gz FUWJOFUFPRTSGN-AWEZNQCLSA-N 0 1 398.806 2.029 50 0 GEAAMN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CCN(C(C)C)CC1 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CCNC(=O)COc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)cc1 ZINC000023187209 570348240 /nfs/dbraw/zinc/34/82/40/570348240.db2.gz DLKMUWJKRDHBNE-FQEVSTJZSA-N 0 1 399.491 2.243 50 0 GEAAMN O=C(CN1CCOc2ccccc2C1)NC1CCN(Cc2cccnc2)CC1 ZINC000219330998 570355547 /nfs/dbraw/zinc/35/55/47/570355547.db2.gz MJAUYZZRVBZAIA-UHFFFAOYSA-N 0 1 380.492 2.057 50 0 GEAAMN COC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604405030 570361762 /nfs/dbraw/zinc/36/17/62/570361762.db2.gz UOFHTTHVPNIODV-QGZVFWFLSA-N 0 1 397.431 2.229 50 0 GEAAMN O=C(Cn1c(=O)cnc2ccccc21)NC[C@H](c1ccco1)N1CCCCC1 ZINC000024006323 570376989 /nfs/dbraw/zinc/37/69/89/570376989.db2.gz BGFBRLKGHUZFND-GOSISDBHSA-N 0 1 380.448 2.333 50 0 GEAAMN CC(C)Cc1cc(CN2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n[nH]1 ZINC000220501591 570387349 /nfs/dbraw/zinc/38/73/49/570387349.db2.gz HBHGYIUEMOAYQH-HXUWFJFHSA-N 0 1 383.500 2.026 50 0 GEAAMN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000247981690 570433024 /nfs/dbraw/zinc/43/30/24/570433024.db2.gz HBTPNCJUERRPHC-QAPCUYQASA-N 0 1 388.512 2.131 50 0 GEAAMN COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000027332583 570433045 /nfs/dbraw/zinc/43/30/45/570433045.db2.gz DHMFTOHKZXHXSM-QGZVFWFLSA-N 0 1 385.464 2.361 50 0 GEAAMN COc1cc2c(cc1OC)[C@]13CC[N@H+]4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000005512978 570443440 /nfs/dbraw/zinc/44/34/40/570443440.db2.gz RRKTZKIUPZVBMF-ZWKFKZKKSA-N 0 1 394.471 2.110 50 0 in-vitro GEAAMN COC(=O)C1CCN(C(=O)C[C@H](NC(=O)C(F)(F)F)c2cccs2)CC1 ZINC000005742123 570454732 /nfs/dbraw/zinc/45/47/32/570454732.db2.gz GKPPUXKFKLATRX-NSHDSACASA-N 0 1 392.399 2.269 50 0 GEAAMN C[C@@H]1CN(C)[C@@H](C)CN1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000252477127 570474220 /nfs/dbraw/zinc/47/42/20/570474220.db2.gz IQZFHOKWCOEZKJ-JKSUJKDBSA-N 0 1 384.480 2.173 50 0 GEAAMN O[C@@H](COc1ccccc1)CN(CCN1CCOCC1)Cc1cccs1 ZINC000036103278 570540300 /nfs/dbraw/zinc/54/03/00/570540300.db2.gz HIIFWGAPQPKAQT-GOSISDBHSA-N 0 1 376.522 2.322 50 0 GEAAMN COc1ccc(OCC(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1 ZINC000022765656 570543652 /nfs/dbraw/zinc/54/36/52/570543652.db2.gz AUFPZUSBPMYPHB-LJQANCHMSA-N 0 1 389.521 2.240 50 0 GEAAMN CC(C)N(CCC(=O)N1CCNCC1)C(=O)c1cccc(Br)c1 ZINC000035421546 570552460 /nfs/dbraw/zinc/55/24/60/570552460.db2.gz XHTTUUNODWWOMW-UHFFFAOYSA-N 0 1 382.302 2.122 50 0 GEAAMN CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccccc4)n3)c(C)n2)CC1 ZINC000036235705 570561516 /nfs/dbraw/zinc/56/15/16/570561516.db2.gz GNEIVXSMYXBJIU-UHFFFAOYSA-N 0 1 391.479 2.421 50 0 GEAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000005347824 570562487 /nfs/dbraw/zinc/56/24/87/570562487.db2.gz FWFOKESFNUMURE-NRULZZDXSA-N 0 1 387.455 2.391 50 0 GEAAMN COCCC(=O)N[C@H](C)c1nnc2n1CCN(C/C(C)=C/c1ccccc1)CC2 ZINC000012039234 570599978 /nfs/dbraw/zinc/59/99/78/570599978.db2.gz QUCISYCPTAOTBU-WBWKYDSYSA-N 0 1 397.523 2.453 50 0 GEAAMN COCCNC(=O)[C@@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169681624 570602151 /nfs/dbraw/zinc/60/21/51/570602151.db2.gz SOGAFRMOEQMCEE-IRLDBZIGSA-N 0 1 379.504 2.312 50 0 GEAAMN COCc1ccc(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)o1 ZINC000012072696 570604112 /nfs/dbraw/zinc/60/41/12/570604112.db2.gz VHMJZAVLLNHYPR-OAHLLOKOSA-N 0 1 388.468 2.435 50 0 GEAAMN COc1ccc(OCC(=O)NCCc2nnc(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000064969276 570619947 /nfs/dbraw/zinc/61/99/47/570619947.db2.gz OBOYMVQENYAKCF-UHFFFAOYSA-N 0 1 382.420 2.227 50 0 GEAAMN O=C1N[C@H](c2ccc(F)cc2)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000005523780 570624492 /nfs/dbraw/zinc/62/44/92/570624492.db2.gz GSLOWCIZTMCTPD-XJKCOSOUSA-N 0 1 383.301 2.325 50 0 GEAAMN CN(Cc1cccnc1)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000012202834 570624918 /nfs/dbraw/zinc/62/49/18/570624918.db2.gz TXELJPKFGXPTOH-FQEVSTJZSA-N 0 1 375.419 2.345 50 0 GEAAMN CCCc1cc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCc3ccccn3)C2)n[nH]1 ZINC000012316844 570641618 /nfs/dbraw/zinc/64/16/18/570641618.db2.gz BWUANTSUPQSYNV-MRXNPFEDSA-N 0 1 383.496 2.197 50 0 GEAAMN CCc1ccc(CN(CC(=O)N2CCNCC2)C(=O)c2cccc(OC)c2)cc1 ZINC000033032748 570670054 /nfs/dbraw/zinc/67/00/54/570670054.db2.gz KWFVNPBIMNGKSZ-UHFFFAOYSA-N 0 1 395.503 2.332 50 0 GEAAMN O[C@@H](COc1cccc(CNCc2ccc(F)cc2F)c1)CN1CCOCC1 ZINC000012597327 570690172 /nfs/dbraw/zinc/69/01/72/570690172.db2.gz NENVECPBEJIKNB-LJQANCHMSA-N 0 1 392.446 2.327 50 0 GEAAMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000244685571 570694892 /nfs/dbraw/zinc/69/48/92/570694892.db2.gz ISNWQDHTRSGLFA-UHFFFAOYSA-N 0 1 384.480 2.452 50 0 GEAAMN O=C(CN1CCCCC1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012718150 570705272 /nfs/dbraw/zinc/70/52/72/570705272.db2.gz NKRTXFROPLEFLL-HNNXBMFYSA-N 0 1 383.414 2.408 50 0 GEAAMN CC(C)N1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3C)CC2)CC1 ZINC000248026095 570719651 /nfs/dbraw/zinc/71/96/51/570719651.db2.gz LRGKUAANCGQMLD-UHFFFAOYSA-N 0 1 383.540 2.338 50 0 GEAAMN CCn1nc(C)c(NC(=O)CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c1C ZINC000252510019 570729238 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GEAAMN CN(C)[C@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccc(F)c1 ZINC000022683055 570324570 /nfs/dbraw/zinc/32/45/70/570324570.db2.gz BJQXSZWBBQAYPU-MRXNPFEDSA-N 0 1 388.468 2.406 50 0 GEAAMN CN(C)[C@@H](CNC(=O)CCn1cnc2sccc2c1=O)c1cccc(F)c1 ZINC000022683051 570324615 /nfs/dbraw/zinc/32/46/15/570324615.db2.gz BJQXSZWBBQAYPU-INIZCTEOSA-N 0 1 388.468 2.406 50 0 GEAAMN COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)nc2cc(C)ccn2c1=O ZINC000205943346 570327762 /nfs/dbraw/zinc/32/77/62/570327762.db2.gz VUDSSOSDLMNBOO-CYBMUJFWSA-N 0 1 384.388 2.118 50 0 GEAAMN COC(=O)C[C@H](c1cccc(O)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604405945 570358135 /nfs/dbraw/zinc/35/81/35/570358135.db2.gz UPFZTHUJNDPRRE-QGZVFWFLSA-N 0 1 397.431 2.229 50 0 GEAAMN CCOC(=O)N1CCC(N2CCN(Cc3cccs3)[C@@H](CCO)C2)CC1 ZINC000023374123 570358234 /nfs/dbraw/zinc/35/82/34/570358234.db2.gz CLQLCTUDSWTPSX-KRWDZBQOSA-N 0 1 381.542 2.238 50 0 GEAAMN COc1ccc(-n2nc(C(C)=O)c3c(O)n(-c4ccccc4OC)c(O)c32)cc1 ZINC000004281901 570365424 /nfs/dbraw/zinc/36/54/24/570365424.db2.gz ZVGQFRXZIGNDHO-HKUYNNGSSA-N 0 1 393.399 2.027 50 0 GEAAMN Cc1nc([C@@H]2CCCN2C(=O)CCSc2nnc(-c3ccncc3)o2)n[nH]1 ZINC000219553012 570366651 /nfs/dbraw/zinc/36/66/51/570366651.db2.gz URWFNAWATSMPCO-ZDUSSCGKSA-N 0 1 385.453 2.404 50 0 GEAAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccc2c(c1)CCO2 ZINC000090607280 570383527 /nfs/dbraw/zinc/38/35/27/570383527.db2.gz JFNGFDDQJRGIIQ-KRWDZBQOSA-N 0 1 389.402 2.257 50 0 GEAAMN CCN1CCN(C(=O)[C@@H](C)Sc2nc(-c3ccc(OC)cc3)n[nH]2)CC1 ZINC000035570329 570401429 /nfs/dbraw/zinc/40/14/29/570401429.db2.gz UOQMRCAIYOLMLR-CYBMUJFWSA-N 0 1 375.498 2.125 50 0 GEAAMN COc1ccc(S(=O)(=O)Nc2cccnc2)cc1I ZINC000004756836 570403720 /nfs/dbraw/zinc/40/37/20/570403720.db2.gz YGDWFONEDDXTQQ-UHFFFAOYSA-N 0 1 390.202 2.496 50 0 GEAAMN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c3ccccc32)cc1 ZINC000004761501 570404373 /nfs/dbraw/zinc/40/43/73/570404373.db2.gz XINRXPIEBXLVBQ-UHFFFAOYSA-N 0 1 380.422 2.427 50 0 GEAAMN COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000005075813 570411716 /nfs/dbraw/zinc/41/17/16/570411716.db2.gz GGHLWUKWYROZPP-UHFFFAOYSA-N 0 1 396.490 2.344 50 0 GEAAMN COc1ccc(C)cc1NC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1 ZINC000072259912 570421526 /nfs/dbraw/zinc/42/15/26/570421526.db2.gz RJBNQOIZOSPGKS-UHFFFAOYSA-N 0 1 381.318 2.282 50 0 GEAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc[nH]n2)cc1 ZINC000006471285 570443274 /nfs/dbraw/zinc/44/32/74/570443274.db2.gz VTRUDACBYCCQMB-UHFFFAOYSA-N 0 1 387.421 2.257 50 0 GEAAMN COc1ccc(NC(=O)[C@H](Cc2ccc(OC)cc2OC)c2nn[n-]n2)cc1 ZINC000005670570 570450693 /nfs/dbraw/zinc/45/06/93/570450693.db2.gz BBGRGVXNAYQCJP-MRXNPFEDSA-N 0 1 383.408 2.191 50 0 GEAAMN COc1ccc(NC(=O)[C@H](Cc2ccc(OC)cc2OC)c2nn[nH]n2)cc1 ZINC000005670570 570450697 /nfs/dbraw/zinc/45/06/97/570450697.db2.gz BBGRGVXNAYQCJP-MRXNPFEDSA-N 0 1 383.408 2.191 50 0 GEAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000006504108 570459714 /nfs/dbraw/zinc/45/97/14/570459714.db2.gz ZXZVNLHYBSEJJL-CROMWVBPSA-N 0 1 387.439 2.426 50 0 GEAAMN N=C1Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 ZINC000011035684 570465481 /nfs/dbraw/zinc/46/54/81/570465481.db2.gz PKCAYSBVBNFEDA-GOSISDBHSA-N 0 1 387.403 2.294 50 0 GEAAMN CC[C@@H](CNC(=O)c1ccccc1OCC(N)=O)N1CCc2ccccc2C1 ZINC000029912566 570482530 /nfs/dbraw/zinc/48/25/30/570482530.db2.gz BNLRWAMTFQOIEU-SFHVURJKSA-N 0 1 381.476 2.117 50 0 GEAAMN COC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034087022 570530983 /nfs/dbraw/zinc/53/09/83/570530983.db2.gz UBQYGTTXFMGIJO-KSMMKXTCSA-N 0 1 387.480 2.454 50 0 GEAAMN COC(=O)C1=C(CN2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034087022 570530986 /nfs/dbraw/zinc/53/09/86/570530986.db2.gz UBQYGTTXFMGIJO-KSMMKXTCSA-N 0 1 387.480 2.454 50 0 GEAAMN COc1ccc([C@H](CNC(=O)c2ccccc2OC)N2CCN(C)CC2)cc1 ZINC000022794269 570547834 /nfs/dbraw/zinc/54/78/34/570547834.db2.gz YUMXKBZCZFAOQB-FQEVSTJZSA-N 0 1 383.492 2.422 50 0 GEAAMN COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2)N2CCN(C)CC2)cc1 ZINC000022794298 570547900 /nfs/dbraw/zinc/54/79/00/570547900.db2.gz BMEFUWPMVPXUKE-OAQYLSRUSA-N 0 1 383.492 2.422 50 0 GEAAMN Cc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 ZINC000022795106 570548461 /nfs/dbraw/zinc/54/84/61/570548461.db2.gz VAJWCZOEATXPMX-HXUWFJFHSA-N 0 1 391.512 2.401 50 0 GEAAMN Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)c1 ZINC000022796035 570548883 /nfs/dbraw/zinc/54/88/83/570548883.db2.gz RWELFBXDCUOHCP-HXUWFJFHSA-N 0 1 398.482 2.178 50 0 GEAAMN CN1CCCN(C(=O)c2csc(NC(=O)c3cc(F)cc(F)c3)n2)CC1 ZINC000040355902 570566810 /nfs/dbraw/zinc/56/68/10/570566810.db2.gz SQTFVXAUAMEAGN-UHFFFAOYSA-N 0 1 380.420 2.451 50 0 GEAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)ccc1O ZINC000006753026 570571757 /nfs/dbraw/zinc/57/17/57/570571757.db2.gz XRWBVXDVRSCCTA-IBGZPJMESA-N 0 1 381.388 2.034 50 0 GEAAMN Cc1ccc(OC2CCN(C(=O)C[C@@H]3C(=O)NCCN3C3CCCC3)CC2)cc1 ZINC000011818432 570584930 /nfs/dbraw/zinc/58/49/30/570584930.db2.gz CHUASYYKNWBPOE-OAQYLSRUSA-N 0 1 399.535 2.498 50 0 GEAAMN Cc1ccc(OC2CCN(C(=O)C[C@H]3C(=O)NCCN3C3CCCC3)CC2)cc1 ZINC000011818431 570585034 /nfs/dbraw/zinc/58/50/34/570585034.db2.gz CHUASYYKNWBPOE-NRFANRHFSA-N 0 1 399.535 2.498 50 0 GEAAMN CN(Cc1ccccc1)C1(C(=O)N[C@H]2CCCCNC2=O)Cc2ccccc2C1 ZINC000039479245 570592470 /nfs/dbraw/zinc/59/24/70/570592470.db2.gz JSVJWGGQEDXGKX-NRFANRHFSA-N 0 1 391.515 2.441 50 0 GEAAMN CC(=O)Nc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000011977329 570596654 /nfs/dbraw/zinc/59/66/54/570596654.db2.gz URKDKTVJKHCRKM-OAHLLOKOSA-N 0 1 398.511 2.128 50 0 GEAAMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CN1C1CC1 ZINC000151903788 570618964 /nfs/dbraw/zinc/61/89/64/570618964.db2.gz YTNOOAMTAMGECK-RNFRBKRXSA-N 0 1 377.313 2.062 50 0 GEAAMN COc1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3cccc(F)c3)n2)cc1 ZINC000064969735 570620235 /nfs/dbraw/zinc/62/02/35/570620235.db2.gz UCCRKTQOOBQRII-UHFFFAOYSA-N 0 1 390.440 2.064 50 0 GEAAMN O=C(NCCN1CCC[C@@H](O)C1)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000012429435 570658017 /nfs/dbraw/zinc/65/80/17/570658017.db2.gz XRQSATSKQCPNTL-CYBMUJFWSA-N 0 1 397.834 2.233 50 0 GEAAMN CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccccc1OC ZINC000024992468 570662336 /nfs/dbraw/zinc/66/23/36/570662336.db2.gz PHZKKEHTJZVQTF-UHFFFAOYSA-N 0 1 398.463 2.083 50 0 GEAAMN COc1cc(CN2CCC[C@H](CNC(=O)c3cccnc3)C2)cc2c1OCO2 ZINC000012574983 570682435 /nfs/dbraw/zinc/68/24/35/570682435.db2.gz MDVYVKCXLZDYBE-OAHLLOKOSA-N 0 1 383.448 2.461 50 0 GEAAMN CCc1nc(SCC(=O)N2CC[C@@H](c3cc(OC)ccc3OC)C2)n[nH]1 ZINC000055402365 570694423 /nfs/dbraw/zinc/69/44/23/570694423.db2.gz VTZLSFFBKIRRKP-GFCCVEGCSA-N 0 1 376.482 2.493 50 0 GEAAMN CCc1n[nH]c(SCC(=O)N2CC[C@@H](c3cc(OC)ccc3OC)C2)n1 ZINC000055402365 570694424 /nfs/dbraw/zinc/69/44/24/570694424.db2.gz VTZLSFFBKIRRKP-GFCCVEGCSA-N 0 1 376.482 2.493 50 0 GEAAMN CN(Cc1cccc(C(F)(F)F)c1)C(=O)CN(C)c1ncnc2[nH]cnc21 ZINC000058244217 570722216 /nfs/dbraw/zinc/72/22/16/570722216.db2.gz JMFMLZUYALXGJY-UHFFFAOYSA-N 0 1 378.358 2.467 50 0 GEAAMN CC(C)Nc1ncnc2c1ncn2CN1CCC(C(=O)Nc2ccccn2)CC1 ZINC000058326567 570727391 /nfs/dbraw/zinc/72/73/91/570727391.db2.gz NNOFWWXKXOECGI-UHFFFAOYSA-N 0 1 394.483 2.350 50 0 GEAAMN CCn1nc(C)c(NC(=O)CN(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1C ZINC000252510020 570729304 /nfs/dbraw/zinc/72/93/04/570729304.db2.gz ZAHZYQXDJKKMDF-MRXNPFEDSA-N 0 1 375.517 2.181 50 0 GEAAMN CN1CCN(c2ccc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)cc2)CC1 ZINC000252535685 570729660 /nfs/dbraw/zinc/72/96/60/570729660.db2.gz GOXJZCGQULQEIE-YFVAEKQCSA-N 0 1 380.492 2.075 50 0 GEAAMN COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(F)c1F ZINC000036597034 570742291 /nfs/dbraw/zinc/74/22/91/570742291.db2.gz KBADBKOEJFVOER-ANRSDYALSA-N 0 1 382.342 2.046 50 0 GEAAMN CCc1nn(CC)c(=O)c2cc(S(=O)(=O)Nc3ccc(F)c(C)c3)cn21 ZINC000065247307 570747733 /nfs/dbraw/zinc/74/77/33/570747733.db2.gz IQOFGUTXHDZLAD-UHFFFAOYSA-N 0 1 378.429 2.327 50 0 GEAAMN C[C@H](COc1cccc(F)c1)NC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000052581630 570754418 /nfs/dbraw/zinc/75/44/18/570754418.db2.gz VXORVGKHQBTEDD-MRXNPFEDSA-N 0 1 379.476 2.347 50 0 GEAAMN CCCCS(=O)(=O)N1CCN(c2cc(C)nc(N3CCCCC3)n2)CC1 ZINC000065362272 570759721 /nfs/dbraw/zinc/75/97/21/570759721.db2.gz VTXODKUYMVIZJJ-UHFFFAOYSA-N 0 1 381.546 2.027 50 0 GEAAMN Cc1nc2c(c(=O)n1C)CC[N@@H+](Cc1cn([C@H](C)C(=O)[O-])c3ccccc13)CC2 ZINC000065492735 570770572 /nfs/dbraw/zinc/77/05/72/570770572.db2.gz AGKURANMHIUQGJ-CQSZACIVSA-N 0 1 394.475 2.290 50 0 GEAAMN CN1CCN(c2ccc(NC(=O)C[C@H](c3ccsc3)n3cnnn3)cc2)CC1 ZINC000524735433 570774051 /nfs/dbraw/zinc/77/40/51/570774051.db2.gz CAKNSCBOCVNZHH-GOSISDBHSA-N 0 1 397.508 2.105 50 0 GEAAMN C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)CS2 ZINC000036709268 570798369 /nfs/dbraw/zinc/79/83/69/570798369.db2.gz RVBTUBGCYKJPKA-DOXZYTNZSA-N 0 1 377.510 2.377 50 0 GEAAMN Cc1c(Cl)cccc1-c1ccc(CNCCNC(=O)c2nonc2N)o1 ZINC000004488489 570799443 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C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000012787208 221231624 /nfs/dbraw/zinc/23/16/24/221231624.db2.gz TYBPKEUPKVXYGK-DNVCBOLYSA-N 0 1 387.505 2.348 50 0 GEAAMN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1ccccc1 ZINC000013040351 221259335 /nfs/dbraw/zinc/25/93/35/221259335.db2.gz DQESXROHECGKPH-CQSZACIVSA-N 0 1 391.493 2.235 50 0 GEAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc2c(c1)OCO2 ZINC000013688878 221280784 /nfs/dbraw/zinc/28/07/84/221280784.db2.gz FBBBUMBUJFOYRA-CYBMUJFWSA-N 0 1 377.360 2.196 50 0 GEAAMN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000014520628 221311135 /nfs/dbraw/zinc/31/11/35/221311135.db2.gz HZXWUNHCRXMUNC-FQEVSTJZSA-N 0 1 395.507 2.227 50 0 GEAAMN CC(=O)N[C@H](CC(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1ccc(C)cc1 ZINC000014521812 221311215 /nfs/dbraw/zinc/31/12/15/221311215.db2.gz DXUXJMUZKWCLKA-HXUWFJFHSA-N 0 1 395.507 2.348 50 0 GEAAMN O=C(NCc1cccs1)[C@@H]1C[C@H](n2cnnn2)CN1CCCc1ccccc1 ZINC000014963226 221322179 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CC(C)N1CCN(Cc2nc(-c3ccc(N4CCSCC4)nc3)no2)CC1 ZINC000065216467 136160229 /nfs/dbraw/zinc/16/02/29/136160229.db2.gz DYGLAJHBBHTUQQ-UHFFFAOYSA-N 0 1 388.541 2.211 50 0 GEAAMN O[C@H](Cc1ccccc1)C1CCN(Cc2cnc(N3CCOCC3)nc2)CC1 ZINC000072468057 136171071 /nfs/dbraw/zinc/17/10/71/136171071.db2.gz LZLFHIJLRLYJHR-OAQYLSRUSA-N 0 1 382.508 2.129 50 0 GEAAMN CCCCOc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2)cc1 ZINC000077196704 136171791 /nfs/dbraw/zinc/17/17/91/136171791.db2.gz KQNWRYYSTGYDSZ-UHFFFAOYSA-N 0 1 392.481 2.293 50 0 GEAAMN COc1cccc(CN2CC3(CC2=O)CCN(c2ncnc4[nH]cnc42)CC3)c1 ZINC000077485051 136172262 /nfs/dbraw/zinc/17/22/62/136172262.db2.gz GVQWUEBPOMXQSZ-UHFFFAOYSA-N 0 1 392.463 2.381 50 0 GEAAMN CC(C)(CC(=O)NC[C@H]1CN(c2ncnc3[nH]cnc32)CCO1)c1ccccc1 ZINC000089761640 136175675 /nfs/dbraw/zinc/17/56/75/136175675.db2.gz GYHVFZVAMGGBCT-INIZCTEOSA-N 0 1 394.479 2.042 50 0 GEAAMN COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(N3CCN(C)CC3)cc1)C2 ZINC000091548062 136176439 /nfs/dbraw/zinc/17/64/39/136176439.db2.gz IZVPMLZGVJTICV-QGZVFWFLSA-N 0 1 395.503 2.428 50 0 GEAAMN Cc1sc2ncnc(N3CCC(N[C@H]4C=CS(=O)(=O)C4)CC3)c2c1C ZINC000095507868 136180276 /nfs/dbraw/zinc/18/02/76/136180276.db2.gz ANGPJXGRXKJBJL-AWEZNQCLSA-N 0 1 378.523 2.177 50 0 GEAAMN O=C(CC[C@H]1CCCN(Cc2c[nH]cn2)C1)N1CCN(c2ccccn2)CC1 ZINC000095509868 136180500 /nfs/dbraw/zinc/18/05/00/136180500.db2.gz FVIAOCYPQPOIFP-GOSISDBHSA-N 0 1 382.512 2.146 50 0 GEAAMN COCC(=O)N1CCc2nc[nH]c2C12CCN(c1ccc3ccccc3n1)CC2 ZINC000095518238 136180810 /nfs/dbraw/zinc/18/08/10/136180810.db2.gz BWVDAIGZTCANTH-UHFFFAOYSA-N 0 1 391.475 2.485 50 0 GEAAMN CCOc1ccc(CN2CCN(c3ncnc4[nH]ccc43)C[C@H]2CCO)cc1 ZINC000106956012 136201632 /nfs/dbraw/zinc/20/16/32/136201632.db2.gz SJVKUZUHWBUKEB-QGZVFWFLSA-N 0 1 381.480 2.430 50 0 GEAAMN O=C(NCCN1CCCCC1)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000021933351 221547965 /nfs/dbraw/zinc/54/79/65/221547965.db2.gz YYTMDYMOJDFJOS-UHFFFAOYSA-N 0 1 395.507 2.145 50 0 GEAAMN Cc1ccc(C(=O)N2CCc3n[nH]c(C(=O)N4C[C@@H](C)O[C@H](C)C4)c3C2)cc1C 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