smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cccc2[nH]cnc21)N1CC[C@@H](Cc2ccccc2)C1 ZINC000159668665 186134015 /nfs/dbraw/zinc/13/40/15/186134015.db2.gz UELDRPRZSWNKNL-HNNXBMFYSA-N 0 1 305.381 3.268 20 70 DGIDMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159747744 186139326 /nfs/dbraw/zinc/13/93/26/186139326.db2.gz SDAIATIYSJFODY-XEZPLFJOSA-N 0 1 324.852 3.068 20 70 DGIDMN N[C@H](C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)c1ccccc1 ZINC000159810540 283611631 /nfs/dbraw/zinc/61/16/31/283611631.db2.gz RSJLPERJMTVYEW-RDJZCZTQSA-N 0 1 314.816 3.356 20 70 DGIDMN CCNC(=O)c1cccc(CN[C@H](C)c2ccccc2OC)c1 ZINC000160175807 197391513 /nfs/dbraw/zinc/39/15/13/197391513.db2.gz USSDVQCHARNDKV-CQSZACIVSA-N 0 1 312.413 3.296 20 70 DGIDMN O=C(c1cc(C2CCCCC2)[nH]n1)N(C[C@H]1CCOC1)C1CC1 ZINC000160073439 197383900 /nfs/dbraw/zinc/38/39/00/197383900.db2.gz FZYAKKULWISCPN-CYBMUJFWSA-N 0 1 317.433 3.099 20 70 DGIDMN O=C(c1cc(C2CCCCC2)[nH]n1)N(C[C@@H]1CCOC1)C1CC1 ZINC000160073313 197383484 /nfs/dbraw/zinc/38/34/84/197383484.db2.gz FZYAKKULWISCPN-ZDUSSCGKSA-N 0 1 317.433 3.099 20 70 DGIDMN Cc1nc(CCNC(=O)c2ccc(O)c(Cl)c2)sc1C ZINC000160094945 197385510 /nfs/dbraw/zinc/38/55/10/197385510.db2.gz ZAVCSSFZVQTRQS-UHFFFAOYSA-N 0 1 310.806 3.091 20 70 DGIDMN CCN(CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1)C1CC1 ZINC000160028020 197380933 /nfs/dbraw/zinc/38/09/33/197380933.db2.gz QEARONMHYLPMQD-HXUWFJFHSA-N 0 1 323.440 3.080 20 70 DGIDMN CC1(C)C[C@H](NC(=O)[C@@H](N)c2ccccc2)c2ccccc2O1 ZINC000161395762 273588644 /nfs/dbraw/zinc/58/86/44/273588644.db2.gz YOXHWLFNTVVLOQ-RDJZCZTQSA-N 0 1 310.397 3.105 20 70 DGIDMN Cc1nc2cc(NC(=O)c3cccc4nc[nH]c43)ccc2n1C ZINC000159746286 432695017 /nfs/dbraw/zinc/69/50/17/432695017.db2.gz OXDIJGVBJFXTLO-UHFFFAOYSA-N 0 1 305.341 3.010 20 70 DGIDMN C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1cnn(C)c1 ZINC000160535502 432726063 /nfs/dbraw/zinc/72/60/63/432726063.db2.gz 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CC1(C)C[C@H](NC(=O)[C@H](N)c2ccccc2)c2ccccc2O1 ZINC000161395498 432776583 /nfs/dbraw/zinc/77/65/83/432776583.db2.gz YOXHWLFNTVVLOQ-DOTOQJQBSA-N 0 1 310.397 3.105 20 70 DGIDMN CC(C)S(=O)(=O)CCCN1CCC(c2ccccc2)CC1 ZINC000160659186 432733667 /nfs/dbraw/zinc/73/36/67/432733667.db2.gz MUGCHRMLVBQZTH-UHFFFAOYSA-N 0 1 309.475 3.079 20 70 DGIDMN C[C@@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)c2ccccc21 ZINC000160651749 432734082 /nfs/dbraw/zinc/73/40/82/432734082.db2.gz JBUQDKLSQUEHAR-GFCCVEGCSA-N 0 1 304.353 3.236 20 70 DGIDMN CCOCc1ccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161469729 432781792 /nfs/dbraw/zinc/78/17/92/432781792.db2.gz JPVAPKCJBRUUBA-GFCCVEGCSA-N 0 1 316.405 3.007 20 70 DGIDMN CC(C)COc1ccccc1CNCc1ccc(N(C)C)nc1 ZINC000160731840 432738954 /nfs/dbraw/zinc/73/89/54/432738954.db2.gz JYDJAZJHCOWKNL-UHFFFAOYSA-N 0 1 313.445 3.472 20 70 DGIDMN CNC(=O)c1ccc(CNCc2cc(F)cc(Cl)c2)cc1 ZINC000160809483 432742577 /nfs/dbraw/zinc/74/25/77/432742577.db2.gz BBPPEJOJZZLCLY-UHFFFAOYSA-N 0 1 306.768 3.129 20 70 DGIDMN CCS(=O)(=O)c1ccc([C@H](C)NCc2cnc(C)s2)cc1 ZINC000159373892 292791216 /nfs/dbraw/zinc/79/12/16/292791216.db2.gz WKZGPQOKJGOLEE-NSHDSACASA-N 0 1 324.471 3.096 20 70 DGIDMN O=C(N[C@H](Cc1ccccc1)C1CC1)[C@H]1NCCc2ccccc21 ZINC000159826672 292801415 /nfs/dbraw/zinc/80/14/15/292801415.db2.gz DQWWCHOQIICEOS-UXHICEINSA-N 0 1 320.436 3.011 20 70 DGIDMN CCCC(=O)Nc1cccc(CN[C@H](C)c2cnn(C)c2)c1 ZINC000159899720 292802947 /nfs/dbraw/zinc/80/29/47/292802947.db2.gz FVHPLDFNTMVWGU-CYBMUJFWSA-N 0 1 300.406 3.010 20 70 DGIDMN CCCCn1ncc(NS(=O)(=O)c2ccccc2C)c1C ZINC000160191432 292809504 /nfs/dbraw/zinc/80/95/04/292809504.db2.gz NYORTNWWGPZNOC-UHFFFAOYSA-N 0 1 307.419 3.101 20 70 DGIDMN CC(C)CCOc1ccc([C@@H](C)NCC(=O)NC(C)C)cc1 ZINC000160996322 292825996 /nfs/dbraw/zinc/82/59/96/292825996.db2.gz JSHJHIIWIKQNMX-OAHLLOKOSA-N 0 1 306.450 3.287 20 70 DGIDMN CCSCc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1 ZINC000161480242 292835800 /nfs/dbraw/zinc/83/58/00/292835800.db2.gz KSVXLYJDUQPUJN-KRWDZBQOSA-N 0 1 314.454 3.448 20 70 DGIDMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2O)c1 ZINC000160408131 533708325 /nfs/dbraw/zinc/70/83/25/533708325.db2.gz CJRGHPVNBAYJGR-UHFFFAOYSA-N 0 1 311.790 3.463 20 70 DGIDMN COC(=O)Cc1cccc(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000159452921 533769056 /nfs/dbraw/zinc/76/90/56/533769056.db2.gz TUSVJCQTEBPXQS-UHFFFAOYSA-N 0 1 319.744 3.013 20 70 DGIDMN CC1(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000159556098 520220991 /nfs/dbraw/zinc/22/09/91/520220991.db2.gz ZVCAXEIHABKXMV-UHFFFAOYSA-N 0 1 306.837 3.221 20 70 DGIDMN Cc1ccc(-c2n[nH]c(NC(=O)CCO[C@H](C)CC(C)C)n2)o1 ZINC000160365564 525849282 /nfs/dbraw/zinc/84/92/82/525849282.db2.gz ACIBGTODHWFWKS-GFCCVEGCSA-N 0 1 320.393 3.153 20 70 DGIDMN C[C@@H]1SCCN(C(=O)c2ccc(CN)o2)[C@@H]1c1ccccc1 ZINC000159680812 546055127 /nfs/dbraw/zinc/05/51/27/546055127.db2.gz YPYAXSIWTFCXMK-LRDDRELGSA-N 0 1 316.426 3.057 20 70 DGIDMN CCc1ccccc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000160715233 529568550 /nfs/dbraw/zinc/56/85/50/529568550.db2.gz 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432713088 /nfs/dbraw/zinc/71/30/88/432713088.db2.gz NESQRDDMRSTRPB-HUUCEWRRSA-N 0 1 312.523 3.099 20 70 DGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(Cl)ccc3F)n2)o1 ZINC000160256077 432713837 /nfs/dbraw/zinc/71/38/37/432713837.db2.gz WZZDNWXGYRMPRP-UHFFFAOYSA-N 0 1 320.711 3.418 20 70 DGIDMN Cc1ccc(COc2ccc(CN3CCC[C@@H]3C(N)=O)cc2)cc1 ZINC000160360666 432715935 /nfs/dbraw/zinc/71/59/35/432715935.db2.gz RRGNFIHWFGLMFR-LJQANCHMSA-N 0 1 324.424 3.024 20 70 DGIDMN Cc1ccc(-c2n[nH]c(NC(=O)CSc3ccccc3)n2)o1 ZINC000160432744 432720239 /nfs/dbraw/zinc/72/02/39/432720239.db2.gz NNMUNDAUPNGIFZ-UHFFFAOYSA-N 0 1 314.370 3.104 20 70 DGIDMN CN(C)c1ccccc1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159485805 432684774 /nfs/dbraw/zinc/68/47/74/432684774.db2.gz CXWDWHYQFVFCNU-OAQYLSRUSA-N 0 1 322.452 3.427 20 70 DGIDMN C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)O1 ZINC000159628329 432690684 /nfs/dbraw/zinc/69/06/84/432690684.db2.gz WMFIYRMRSAEJDB-IAQYHMDHSA-N 0 1 322.368 3.131 20 70 DGIDMN CC(C)S(=O)(=O)CCCN(C)CCCCc1ccccc1 ZINC000160892527 432747620 /nfs/dbraw/zinc/74/76/20/432747620.db2.gz GNLPYQPFUJHBIK-UHFFFAOYSA-N 0 1 311.491 3.154 20 70 DGIDMN C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H](C)N1CCCCCC1 ZINC000160902526 432749619 /nfs/dbraw/zinc/74/96/19/432749619.db2.gz MUTPCIPFRWVFIZ-KBPBESRZSA-N 0 1 322.474 3.090 20 70 DGIDMN CCC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)C(C)C ZINC000161085608 432758483 /nfs/dbraw/zinc/75/84/83/432758483.db2.gz HNSQWQAUUZSMJK-ROUUACIJSA-N 0 1 320.477 3.486 20 70 DGIDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000161218991 432766550 /nfs/dbraw/zinc/76/65/50/432766550.db2.gz RLTBNEAOKJBNPS-MRVPVSSYSA-N 0 1 312.200 3.386 20 70 DGIDMN Cc1sc2[nH]c(C[N@H+](CC(C)C)C3CC3)nc(=O)c2c1C ZINC000161369487 432774368 /nfs/dbraw/zinc/77/43/68/432774368.db2.gz BPFWWUUZLLQVDM-UHFFFAOYSA-N 0 1 305.447 3.222 20 70 DGIDMN Cc1sc2[nH]c(CN(CC(C)C)C3CC3)nc(=O)c2c1C ZINC000161369487 432774372 /nfs/dbraw/zinc/77/43/72/432774372.db2.gz BPFWWUUZLLQVDM-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/06/09/67/546060967.db2.gz WUKRVSJABVXTMB-KRWDZBQOSA-N 0 1 316.832 3.316 20 70 DGIDMN C[C@@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)c1ccccc1 ZINC000217930772 627103426 /nfs/dbraw/zinc/10/34/26/627103426.db2.gz GDILBEXGDBDKED-SNVBAGLBSA-N 0 1 304.729 3.474 20 70 DGIDMN CC[C@](C)(NC(=O)c1cccc2nc[nH]c21)c1nc(C)cs1 ZINC000159678731 186135191 /nfs/dbraw/zinc/13/51/91/186135191.db2.gz XZFZOXFSNXCSDD-INIZCTEOSA-N 0 1 314.414 3.383 20 70 DGIDMN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C)c1cnn(C)c1 ZINC000159845690 197368032 /nfs/dbraw/zinc/36/80/32/197368032.db2.gz OPLPYRNQAWFYOC-ZDUSSCGKSA-N 0 1 309.417 3.073 20 70 DGIDMN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1NCCc2ccccc21 ZINC000161425312 400740460 /nfs/dbraw/zinc/74/04/60/400740460.db2.gz UTUDFLDYFPVGAN-ZTNFWEORSA-N 0 1 320.436 3.278 20 70 DGIDMN Brc1ccc(CCNCc2nccs2)s1 ZINC000218138934 400950860 /nfs/dbraw/zinc/95/08/60/400950860.db2.gz TZRSVYOIBFGPCD-UHFFFAOYSA-N 0 1 303.250 3.299 20 70 DGIDMN C[C@H](CNC(=O)c1cccc2nc[nH]c21)Sc1ccccc1 ZINC000159730203 228243632 /nfs/dbraw/zinc/24/36/32/228243632.db2.gz XZLWPRXELHHRKH-GFCCVEGCSA-N 0 1 311.410 3.474 20 70 DGIDMN CCN1CCN(c2ccccc2NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000159852282 432699662 /nfs/dbraw/zinc/69/96/62/432699662.db2.gz WHASEZSQLRJHKR-DNVCBOLYSA-N 0 1 315.461 3.203 20 70 DGIDMN CC[C@H](C)CN(CC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000160537247 432726116 /nfs/dbraw/zinc/72/61/16/432726116.db2.gz NBEFOTQUAJYQLZ-NSHDSACASA-N 0 1 307.825 3.445 20 70 DGIDMN CC(C)(CNC(=O)c1cccc(-c2nnc[nH]2)c1)c1ccccc1 ZINC000159950083 432702896 /nfs/dbraw/zinc/70/28/96/432702896.db2.gz UTZCDSRVKOQHRH-UHFFFAOYSA-N 0 1 320.396 3.179 20 70 DGIDMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Cc2ccc(Cl)cc2)n[nH]1 ZINC000160157468 432707937 /nfs/dbraw/zinc/70/79/37/432707937.db2.gz LOCDDFBVZGMVKF-VXGBXAGGSA-N 0 1 319.836 3.298 20 70 DGIDMN Cc1cc(C[C@H](C)NC(=O)[C@H](C)Cc2cccc(Cl)c2)n[nH]1 ZINC000160158122 432708674 /nfs/dbraw/zinc/70/86/74/432708674.db2.gz QQYOGCWRAMDOBQ-NEPJUHHUSA-N 0 1 319.836 3.298 20 70 DGIDMN CCOc1cccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000160233126 432712726 /nfs/dbraw/zinc/71/27/26/432712726.db2.gz ZNZJGPDBXOSRRK-UHFFFAOYSA-N 0 1 312.329 3.024 20 70 DGIDMN CCCO[C@H]1CCC[N@@H+](Cc2c(C)nc3ccccn32)CC1 ZINC000160276591 432713806 /nfs/dbraw/zinc/71/38/06/432713806.db2.gz LNGSONAGRYZBRP-INIZCTEOSA-N 0 1 301.434 3.424 20 70 DGIDMN CS[C@H](C)CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000160327327 432714106 /nfs/dbraw/zinc/71/41/06/432714106.db2.gz XQKHBXATOKNUAE-CYBMUJFWSA-N 0 1 324.465 3.048 20 70 DGIDMN CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H]3C(N)=O)ccc21 ZINC000160368917 432717442 /nfs/dbraw/zinc/71/74/42/432717442.db2.gz VYZYXYAPIJKTOE-LJQANCHMSA-N 0 1 321.424 3.264 20 70 DGIDMN CCn1c2ccccc2c2cc(CN3CCC[C@@H]3C(N)=O)ccc21 ZINC000160368917 432717448 /nfs/dbraw/zinc/71/74/48/432717448.db2.gz VYZYXYAPIJKTOE-LJQANCHMSA-N 0 1 321.424 3.264 20 70 DGIDMN COCCOc1ccc(CN(C)Cc2ccccc2OC)cc1 ZINC000160424188 432719353 /nfs/dbraw/zinc/71/93/53/432719353.db2.gz NZYKKMLVLACEMQ-UHFFFAOYSA-N 0 1 315.413 3.352 20 70 DGIDMN CC[C@H](C)OCC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000160442218 432721825 /nfs/dbraw/zinc/72/18/25/432721825.db2.gz JOUQREYIVGVRNN-LBPRGKRZSA-N 0 1 316.405 3.349 20 70 DGIDMN C[C@H](c1ccccc1F)N(C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000159414489 432682873 /nfs/dbraw/zinc/68/28/73/432682873.db2.gz NHHFNMHMFBSYCQ-GFCCVEGCSA-N 0 1 324.359 3.444 20 70 DGIDMN C[C@H](c1cccs1)N(C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160868203 432747961 /nfs/dbraw/zinc/74/79/61/432747961.db2.gz DADUVCPLLKMZKG-LLVKDONJSA-N 0 1 312.398 3.366 20 70 DGIDMN CC(C)NC(=O)CN[C@@H](C)c1ccc(SCC(F)F)cc1 ZINC000160911579 432750133 /nfs/dbraw/zinc/75/01/33/432750133.db2.gz HHPFAZVNKXJQDG-NSHDSACASA-N 0 1 316.417 3.219 20 70 DGIDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)NC(C)C ZINC000160980363 432752213 /nfs/dbraw/zinc/75/22/13/432752213.db2.gz GEJKHOVERCXABW-GFCCVEGCSA-N 0 1 317.458 3.294 20 70 DGIDMN CC(C)S(=O)(=O)CCCN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000160980362 432752371 /nfs/dbraw/zinc/75/23/71/432752371.db2.gz RVHLEOCWPSIQKV-GOSISDBHSA-N 0 1 321.486 3.352 20 70 DGIDMN CC(C)[C@@H](N[C@H](C)c1cnccn1)c1ccc2c(c1)OCCO2 ZINC000161025471 432754625 /nfs/dbraw/zinc/75/46/25/432754625.db2.gz HEGXUODQGMKUFB-FZKQIMNGSA-N 0 1 313.401 3.296 20 70 DGIDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)n[nH]1 ZINC000161214145 432766389 /nfs/dbraw/zinc/76/63/89/432766389.db2.gz SMAGEXNWDYKPEH-WCQGTBRESA-N 0 1 317.355 3.134 20 70 DGIDMN Cc1cc(C[C@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000161226970 432766577 /nfs/dbraw/zinc/76/65/77/432766577.db2.gz QOMIMEIYBFAKAV-BGUCANKRSA-N 0 1 315.461 3.372 20 70 DGIDMN CC(=CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccc(F)cc1 ZINC000161264726 432770555 /nfs/dbraw/zinc/77/05/55/432770555.db2.gz AXNSNJUEUPSZKD-KGTBHZDVSA-N 0 1 301.365 3.008 20 70 DGIDMN Cc1cc(C[C@H](C)NC(=O)C2(c3cccc(Cl)c3)CC2)n[nH]1 ZINC000161378297 432776344 /nfs/dbraw/zinc/77/63/44/432776344.db2.gz FPQQOXBMVXXFFU-NSHDSACASA-N 0 1 317.820 3.151 20 70 DGIDMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)CCc2ccccc2F)n[nH]1 ZINC000161432819 432778596 /nfs/dbraw/zinc/77/85/96/432778596.db2.gz CGEAMKWKOZPSES-QWHCGFSZSA-N 0 1 317.408 3.173 20 70 DGIDMN Cc1cc(C[C@H](C)NC(=O)C[C@H](C)Cc2cccc(F)c2)n[nH]1 ZINC000161441058 432778981 /nfs/dbraw/zinc/77/89/81/432778981.db2.gz GSZKRUXIJMJYAN-OLZOCXBDSA-N 0 1 317.408 3.173 20 70 DGIDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161483831 432781165 /nfs/dbraw/zinc/78/11/65/432781165.db2.gz MUFIUOATAOTUPL-CHWSQXEVSA-N 0 1 311.389 3.022 20 70 DGIDMN CN(Cc1ccc(CO)o1)Cc1ccc(Br)cc1 ZINC000160800508 432742263 /nfs/dbraw/zinc/74/22/63/432742263.db2.gz SSRKQMCBMDQXGP-UHFFFAOYSA-N 0 1 310.191 3.166 20 70 DGIDMN CCN1CCN(c2ccccc2NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000159852536 292801643 /nfs/dbraw/zinc/80/16/43/292801643.db2.gz WHASEZSQLRJHKR-HNAYVOBHSA-N 0 1 315.461 3.203 20 70 DGIDMN CC(C)n1cccc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000161082485 292828237 /nfs/dbraw/zinc/82/82/37/292828237.db2.gz HLIFKNVAAZENON-KRWDZBQOSA-N 0 1 317.408 3.241 20 70 DGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(F)c(C)c3)n2)o1 ZINC000160407634 525852872 /nfs/dbraw/zinc/85/28/72/525852872.db2.gz JTECPCVOECSPCJ-UHFFFAOYSA-N 0 1 300.293 3.073 20 70 DGIDMN O=C(CC1(CCc2ccccc2)CCCC1)N1CCNCC1 ZINC000159423039 526328102 /nfs/dbraw/zinc/32/81/02/526328102.db2.gz IGGSWYYYGJYNBE-UHFFFAOYSA-N 0 1 300.446 3.002 20 70 DGIDMN C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1F ZINC000160177219 546059463 /nfs/dbraw/zinc/05/94/63/546059463.db2.gz RKTIVTHESHTWCZ-GUYCJALGSA-N 0 1 304.409 3.410 20 70 DGIDMN CCCc1cc(C(=O)N2CCC[C@@H]2c2ccc(COC)o2)n[nH]1 ZINC000161254224 546067104 /nfs/dbraw/zinc/06/71/04/546067104.db2.gz VEOHZBLPACZMLZ-OAHLLOKOSA-N 0 1 317.389 3.079 20 70 DGIDMN CC(C)c1noc([N-][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000160234662 197394678 /nfs/dbraw/zinc/39/46/78/197394678.db2.gz LQSCVEYHFCUGND-HIFRSBDPSA-N 0 1 300.406 3.125 20 70 DGIDMN O=C(c1cccc2[nH]cnc21)N1CCSC2(CCCCC2)C1 ZINC000159827514 197367282 /nfs/dbraw/zinc/36/72/82/197367282.db2.gz RMNXTARAHMLCIX-UHFFFAOYSA-N 0 1 315.442 3.455 20 70 DGIDMN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cccc2[nH]cnc21 ZINC000159832033 400731264 /nfs/dbraw/zinc/73/12/64/400731264.db2.gz VARHQYYXFYLXFV-ZDUSSCGKSA-N 0 1 320.396 3.044 20 70 DGIDMN CC[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc(C)cc1 ZINC000160201088 287816155 /nfs/dbraw/zinc/81/61/55/287816155.db2.gz YTGBQCJIHQVHAG-NXHRZFHOSA-N 0 1 300.446 3.232 20 70 DGIDMN CCN1CCN(c2ccccc2NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000159852709 432699585 /nfs/dbraw/zinc/69/95/85/432699585.db2.gz WHASEZSQLRJHKR-KXBFYZLASA-N 0 1 315.461 3.203 20 70 DGIDMN CC[C@@H](C(=O)Nc1cccc(OCc2cscn2)c1)N(C)C ZINC000159995732 432702363 /nfs/dbraw/zinc/70/23/63/432702363.db2.gz RDBCFADRXGEJQU-HNNXBMFYSA-N 0 1 319.430 3.001 20 70 DGIDMN Cc1cccc([C@@H]2CCCN2CC(=O)N2[C@H](C)CCC[C@@H]2C)n1 ZINC000160207692 432710929 /nfs/dbraw/zinc/71/09/29/432710929.db2.gz CEVWYFMBRLWGRC-JZXOWHBKSA-N 0 1 315.461 3.316 20 70 DGIDMN COc1ccccc1CN(C)Cc1c[nH]nc1-c1cccnc1 ZINC000160423195 432719477 /nfs/dbraw/zinc/71/94/77/432719477.db2.gz DAJVLBVQOAODCH-UHFFFAOYSA-N 0 1 308.385 3.112 20 70 DGIDMN CC(C)S(=O)(=O)CCCN1CCC(Cc2ccccc2)CC1 ZINC000160476642 432723350 /nfs/dbraw/zinc/72/33/50/432723350.db2.gz PSKQAJLPPLEGFQ-UHFFFAOYSA-N 0 1 323.502 3.154 20 70 DGIDMN CCc1nc(CN[C@H](CC(C)C)c2ccccc2OC)n[nH]1 ZINC000160505014 432724772 /nfs/dbraw/zinc/72/47/72/432724772.db2.gz CVPGUFDGVLRFHD-CQSZACIVSA-N 0 1 302.422 3.253 20 70 DGIDMN Cc1ccc(-c2nnc([C@H](C)N(C)C[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000159518400 432687003 /nfs/dbraw/zinc/68/70/03/432687003.db2.gz XFNAXDILCJHKTD-BPUTZDHNSA-N 0 1 315.417 3.199 20 70 DGIDMN C[C@H]1CC[C@H](C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)O1 ZINC000159628469 432690325 /nfs/dbraw/zinc/69/03/25/432690325.db2.gz WMFIYRMRSAEJDB-XHDPSFHLSA-N 0 1 322.368 3.131 20 70 DGIDMN CC(C)NC(=O)CN[C@@H]1CCCSc2ccc(Cl)cc21 ZINC000160975053 432753294 /nfs/dbraw/zinc/75/32/94/432753294.db2.gz PQWSJTJHZNQWPR-CYBMUJFWSA-N 0 1 312.866 3.381 20 70 DGIDMN CC(C)[C@H](N[C@H](C)c1cnccn1)c1ccc2c(c1)OCCO2 ZINC000161025327 432753937 /nfs/dbraw/zinc/75/39/37/432753937.db2.gz HEGXUODQGMKUFB-ACJLOTCBSA-N 0 1 313.401 3.296 20 70 DGIDMN Cc1cc(C[C@@H](C)NC(=O)c2c(C)onc2-c2ccccc2)n[nH]1 ZINC000161254464 432768369 /nfs/dbraw/zinc/76/83/69/432768369.db2.gz NLAYXBOKKMMXNY-LLVKDONJSA-N 0 1 324.384 3.043 20 70 DGIDMN Cc1cc(C[C@@H](C)NC(=O)C[C@@H](C)c2ccccc2F)n[nH]1 ZINC000161288781 432771008 /nfs/dbraw/zinc/77/10/08/432771008.db2.gz NNYRONKLPNKXML-VXGBXAGGSA-N 0 1 303.381 3.098 20 70 DGIDMN CCn1c(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc2ccccc21 ZINC000161405634 432778465 /nfs/dbraw/zinc/77/84/65/432778465.db2.gz IQUJWRVEDGBXME-LBPRGKRZSA-N 0 1 310.401 3.054 20 70 DGIDMN C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000160593833 432729932 /nfs/dbraw/zinc/72/99/32/432729932.db2.gz KPWPIXMIMGVYAT-HNNXBMFYSA-N 0 1 316.470 3.431 20 70 DGIDMN COC(=O)c1cc(CN(C)Cc2ccc(OC(F)F)cc2)c[nH]1 ZINC000160627485 432731709 /nfs/dbraw/zinc/73/17/09/432731709.db2.gz KRDYTJVEJXOODF-UHFFFAOYSA-N 0 1 324.327 3.035 20 70 DGIDMN CC(C)C[C@@H](C)Oc1cc(CN[C@@H](C)c2cnn(C)c2)ccn1 ZINC000160815394 432744585 /nfs/dbraw/zinc/74/45/85/432744585.db2.gz UNMDGUNNYQVWEU-CABCVRRESA-N 0 1 316.449 3.479 20 70 DGIDMN CCc1nc(CN[C@H](C)c2ccc(OC(C)C)c(OC)c2)n[nH]1 ZINC000160320287 522350537 /nfs/dbraw/zinc/35/05/37/522350537.db2.gz DLXLLGNWMUBKGZ-GFCCVEGCSA-N 0 1 318.421 3.014 20 70 DGIDMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3c[nH]c4ccccc34)n2)o1 ZINC000160381631 525847786 /nfs/dbraw/zinc/84/77/86/525847786.db2.gz FBHDAIVYJKPMDR-UHFFFAOYSA-N 0 1 321.340 3.036 20 70 DGIDMN Cc1ccc(-c2n[nH]c(NC(=O)CSCCC(C)C)n2)o1 ZINC000160392357 525848042 /nfs/dbraw/zinc/84/80/42/525848042.db2.gz MXCWLGFIQPRKJE-UHFFFAOYSA-N 0 1 308.407 3.091 20 70 DGIDMN CCn1nccc1CNCc1c(C)nn(Cc2ccccc2)c1C ZINC000159910238 546057634 /nfs/dbraw/zinc/05/76/34/546057634.db2.gz SYFTVEIDBSTWND-UHFFFAOYSA-N 0 1 323.444 3.054 20 70 DGIDMN CCC[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)N(C)C ZINC000161249833 546066838 /nfs/dbraw/zinc/06/68/38/546066838.db2.gz BNQUBHCBJDCBTO-AWEZNQCLSA-N 0 1 318.417 3.397 20 70 DGIDMN Cc1c([C@@H](C)N[C@H]2CCCSC2)nnn1-c1ccc(F)cc1 ZINC000159597899 186129369 /nfs/dbraw/zinc/12/93/69/186129369.db2.gz GAHOMQLQGZRQBI-RISCZKNCSA-N 0 1 320.437 3.261 20 70 DGIDMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159747630 186139465 /nfs/dbraw/zinc/13/94/65/186139465.db2.gz SDAIATIYSJFODY-WWGRRREGSA-N 0 1 324.852 3.068 20 70 DGIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3csc(C(C)C)n3)n2)o1 ZINC000160212038 197393036 /nfs/dbraw/zinc/39/30/36/197393036.db2.gz KDOACQAXWBWWBF-UHFFFAOYSA-N 0 1 317.374 3.205 20 70 DGIDMN CC[C@H](NC(=O)c1cccc2nc[nH]c21)c1nc(C)cs1 ZINC000159424519 197352010 /nfs/dbraw/zinc/35/20/10/197352010.db2.gz NLFWWKZKUXCWJM-NSHDSACASA-N 0 1 300.387 3.209 20 70 DGIDMN Cc1cccc([C@@H]2CCCN2CC[S@@](=O)c2ccccc2)n1 ZINC000160383477 400733549 /nfs/dbraw/zinc/73/35/49/400733549.db2.gz UZHWDEQVGGTWHP-AVRDEDQJSA-N 0 1 314.454 3.335 20 70 DGIDMN 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323.396 3.138 20 70 DGIDMN COC(=O)c1ccc2[nH]cc(C(=O)CN(C)CCC(C)C)c2c1 ZINC000160635945 400734703 /nfs/dbraw/zinc/73/47/03/400734703.db2.gz UTYVKSNUORYBPK-UHFFFAOYSA-N 0 1 316.401 3.115 20 70 DGIDMN Cc1ccc(O[C@@H](C)CNC(=O)c2cccc3nc[nH]c32)cc1 ZINC000159720892 432694544 /nfs/dbraw/zinc/69/45/44/432694544.db2.gz BTBBKTHLHUYLEC-ZDUSSCGKSA-N 0 1 309.369 3.069 20 70 DGIDMN CCOCCCN(C)Cc1cc(Br)ccc1F ZINC000159755465 432696285 /nfs/dbraw/zinc/69/62/85/432696285.db2.gz ZJZQKDIDMPFUGE-UHFFFAOYSA-N 0 1 304.203 3.447 20 70 DGIDMN CCCC(=O)Nc1cccc(CN[C@@H](CC)c2cnn(C)c2)c1 ZINC000159872627 432699987 /nfs/dbraw/zinc/69/99/87/432699987.db2.gz LKLCYOYKNQROOD-KRWDZBQOSA-N 0 1 314.433 3.400 20 70 DGIDMN CC(C)C[C@H]1CCCN1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159937548 432701274 /nfs/dbraw/zinc/70/12/74/432701274.db2.gz BEHLRGOMHNCRLD-CQSZACIVSA-N 0 1 320.481 3.167 20 70 DGIDMN CCCO[C@@H]1CCC[N@@H+](Cc2c(C)nc3ccccn32)CC1 ZINC000160276439 432714453 /nfs/dbraw/zinc/71/44/53/432714453.db2.gz 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C[C@H](Sc1ccc(Cl)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159562629 228243099 /nfs/dbraw/zinc/24/30/99/228243099.db2.gz XCUYXUFDYIQYLI-FPMFFAJLSA-N 0 1 324.877 3.174 20 70 DGIDMN Brc1cccc([C@@H]2CCN(C[C@@H]3CCCO3)C2)c1 ZINC000217267655 432654789 /nfs/dbraw/zinc/65/47/89/432654789.db2.gz ORWFMBXJHDKMEV-HIFRSBDPSA-N 0 1 310.235 3.417 20 70 DGIDMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)Cc2cccc(Cl)c2)n[nH]1 ZINC000160157986 432708282 /nfs/dbraw/zinc/70/82/82/432708282.db2.gz QQYOGCWRAMDOBQ-VXGBXAGGSA-N 0 1 319.836 3.298 20 70 DGIDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCc3cccs3)n2)o1 ZINC000160348636 432716052 /nfs/dbraw/zinc/71/60/52/432716052.db2.gz GMWXLROSDNFIDQ-UHFFFAOYSA-N 0 1 316.386 3.396 20 70 DGIDMN CCOc1ccc(OC)cc1NC(=O)c1cccc2nc[nH]c21 ZINC000159414477 432683608 /nfs/dbraw/zinc/68/36/08/432683608.db2.gz KTGBDLGXPIIZKZ-UHFFFAOYSA-N 0 1 311.341 3.223 20 70 DGIDMN CC1(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CCC1 ZINC000159550545 432687164 /nfs/dbraw/zinc/68/71/64/432687164.db2.gz HUUKOPIWVBAPPQ-UHFFFAOYSA-N 0 1 319.424 3.032 20 70 DGIDMN CCN(Cc1ccccc1C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000159606410 432688944 /nfs/dbraw/zinc/68/89/44/432688944.db2.gz SIUCYNKRNPERGG-UHFFFAOYSA-N 0 1 320.396 3.442 20 70 DGIDMN C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc3nc[nH]c32)C1 ZINC000159695073 432691831 /nfs/dbraw/zinc/69/18/31/432691831.db2.gz YBLYEYPRMZGVQI-ZDUSSCGKSA-N 0 1 320.396 3.296 20 70 DGIDMN C[C@@H](c1cccs1)N(C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160868086 432747377 /nfs/dbraw/zinc/74/73/77/432747377.db2.gz DADUVCPLLKMZKG-NSHDSACASA-N 0 1 312.398 3.366 20 70 DGIDMN CCN(Cc1cnn(C)c1)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000161122462 432761277 /nfs/dbraw/zinc/76/12/77/432761277.db2.gz VQAXGKPKUVKTCL-UHFFFAOYSA-N 0 1 323.444 3.245 20 70 DGIDMN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cnccn1 ZINC000161131740 432761417 /nfs/dbraw/zinc/76/14/17/432761417.db2.gz SHGFOONBKNDATC-XIKOKIGWSA-N 0 1 311.385 3.050 20 70 DGIDMN CCOc1ccc(NC(=O)c2cccc(-c3nnc[nH]3)c2)c(C)c1 ZINC000161373572 432776114 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CC(C)[C@@H]1CN(C)CCN1C(=O)NCC(C)(C)c1cccs1 ZINC000159996231 400732677 /nfs/dbraw/zinc/73/26/77/400732677.db2.gz IHQXSINREQMJIZ-AWEZNQCLSA-N 0 1 323.506 3.007 20 70 DGIDMN Cc1cccc([C@H]2CCCN2CC[S@@](=O)c2ccccc2)n1 ZINC000160383601 400733488 /nfs/dbraw/zinc/73/34/88/400733488.db2.gz UZHWDEQVGGTWHP-GCJKJVERSA-N 0 1 314.454 3.335 20 70 DGIDMN O=C(N1C[C@H]2CCC[C@@H](C1)N2)C1(c2cccs2)CCCCC1 ZINC000160201770 228245642 /nfs/dbraw/zinc/24/56/42/228245642.db2.gz ZJFLBCUCZUQBAH-GASCZTMLSA-N 0 1 318.486 3.303 20 70 DGIDMN C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc2ccccc2c1 ZINC000160432952 228246081 /nfs/dbraw/zinc/24/60/81/228246081.db2.gz LXXBMPZJZQQUNL-ZOCIIQOWSA-N 0 1 308.425 3.296 20 70 DGIDMN CCN(CCCN[C@@H](C)c1cscn1)C(=O)OC(C)(C)C ZINC000218243040 432658730 /nfs/dbraw/zinc/65/87/30/432658730.db2.gz QZLMNGLPDVPUSJ-LBPRGKRZSA-N 0 1 313.467 3.441 20 70 DGIDMN CC[C@H](C(=O)Nc1cccc(OCc2cscn2)c1)N(C)C ZINC000159995861 432702855 /nfs/dbraw/zinc/70/28/55/432702855.db2.gz RDBCFADRXGEJQU-OAHLLOKOSA-N 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