smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc([C@@H](N[C@H](C)c2cnc(C)nc2C)C(C)C)cc1 ZINC000160402246 332791069 /nfs/dbraw/zinc/79/10/69/332791069.db2.gz FGGMETLONYXORA-QRWLVFNGSA-N 0 3 311.473 4.704 20 70 DJIDHN C[C@H]1CC[C@H](N[C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000160836979 333368716 /nfs/dbraw/zinc/36/87/16/333368716.db2.gz NKOIBWWTRFJVBW-NDXORKPFSA-N 0 3 309.453 4.728 20 70 DJIDHN CCCc1ccc([C@H](C)N[C@@H](CCCO)c2ccccc2)cc1 ZINC000160770590 333655700 /nfs/dbraw/zinc/65/57/00/333655700.db2.gz AJBSWRMHMKDKTL-UWJYYQICSA-N 0 3 311.469 4.804 20 70 DJIDHN Fc1ccc2oc(CN[C@@H]3CCCc4sccc43)cc2c1 ZINC000160970475 333722033 /nfs/dbraw/zinc/72/20/33/333722033.db2.gz VONPPLZYWDPVOD-OAHLLOKOSA-N 0 3 301.386 4.801 20 70 DJIDHN COc1cc([C@H](C)NCc2ccc(C)s2)ccc1SC ZINC000160933873 522945353 /nfs/dbraw/zinc/94/53/53/522945353.db2.gz ARKRNNOCZIOVHC-LBPRGKRZSA-N 0 3 307.484 4.638 20 70 DJIDHN Cc1ccc(CN[C@H](C)c2cccc(-c3ccncc3)c2)s1 ZINC000160945501 333693949 /nfs/dbraw/zinc/69/39/49/333693949.db2.gz LTMGJTNIFURZDI-OAHLLOKOSA-N 0 3 308.450 4.969 20 70 DJIDHN CC(C)C[C@H](N[C@H](CCCO)c1ccccc1)c1cccs1 ZINC000160823388 519397576 /nfs/dbraw/zinc/39/75/76/519397576.db2.gz GBSYUBWWBOHFCA-MSOLQXFVSA-N 0 3 317.498 4.939 20 70 DJIDHN Cc1ccc(CN[C@H](C)c2ccc(SCC(F)F)cc2)cn1 ZINC000161264401 524604476 /nfs/dbraw/zinc/60/44/76/524604476.db2.gz GLVIMCODWJWOFM-CYBMUJFWSA-N 0 3 322.424 4.598 20 70 DJIDHN Clc1ccc([C@@H](N[C@@H]2CCSC2)c2cccs2)cc1 ZINC000160438567 332794582 /nfs/dbraw/zinc/79/45/82/332794582.db2.gz IMOLIDJZEIYEIQ-UKRRQHHQSA-N 0 3 309.887 4.586 20 70 DJIDHN c1ccc([C@@H]2C[C@@H](Nc3ccnc4ccccc43)CCO2)cc1 ZINC000160558309 332821819 /nfs/dbraw/zinc/82/18/19/332821819.db2.gz NECTTYWCIZCQKB-JXFKEZNVSA-N 0 3 304.393 4.567 20 70 DJIDHN CCCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C)cc2)c1 ZINC000159936250 332732341 /nfs/dbraw/zinc/73/23/41/332732341.db2.gz MZQNIWPHXHTUIT-INIZCTEOSA-N 0 3 310.441 4.584 20 70 DJIDHN C[C@@H]1CC[C@H](N[C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000160836845 333368575 /nfs/dbraw/zinc/36/85/75/333368575.db2.gz NKOIBWWTRFJVBW-CZAAIQMYSA-N 0 3 309.453 4.728 20 70 DJIDHN Fc1ccc2oc(CN[C@H]3CCCc4sccc43)cc2c1 ZINC000160970629 333722177 /nfs/dbraw/zinc/72/21/77/333722177.db2.gz VONPPLZYWDPVOD-HNNXBMFYSA-N 0 3 301.386 4.801 20 70 DJIDHN CCCC(=O)Nc1cccc(CN[C@H](C)c2cccc(C)c2C)c1 ZINC000159880638 332720512 /nfs/dbraw/zinc/72/05/12/332720512.db2.gz JKHQPNFFPCZPCD-QGZVFWFLSA-N 0 3 324.468 4.893 20 70 DJIDHN CCOc1ccc([C@@H](C)N[C@H](CC)c2cccs2)cc1OC ZINC000159952646 332736412 /nfs/dbraw/zinc/73/64/12/332736412.db2.gz OTXKEFCCCACBRZ-UKRRQHHQSA-N 0 3 319.470 4.957 20 70 DJIDHN CCCOc1ccc([C@H](C)N[C@H](C)c2cccs2)cc1OC ZINC000159991979 332743612 /nfs/dbraw/zinc/74/36/12/332743612.db2.gz RNTNOCWLCCOEPV-UONOGXRCSA-N 0 3 319.470 4.957 20 70 DJIDHN CCCc1ccc([C@@H](C)N[C@H](CCCO)c2ccccc2)cc1 ZINC000160770720 333655675 /nfs/dbraw/zinc/65/56/75/333655675.db2.gz AJBSWRMHMKDKTL-DYESRHJHSA-N 0 3 311.469 4.804 20 70 DJIDHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160859940 333672891 /nfs/dbraw/zinc/67/28/91/333672891.db2.gz IKDNYNWREMEMKI-KDOFPFPSSA-N 0 3 303.833 4.504 20 70 DJIDHN Fc1ccc(CN[C@H]2CCCc3sccc32)c2ncccc12 ZINC000160977426 333730407 /nfs/dbraw/zinc/73/04/07/333730407.db2.gz RWVKKZCCYQIUGN-INIZCTEOSA-N 0 3 312.413 4.603 20 70 DJIDHN Cc1ccc(-c2n[nH]cc2CN[C@H]2CCCc3sccc32)cc1 ZINC000160979148 333736776 /nfs/dbraw/zinc/73/67/76/333736776.db2.gz NGRAQWMNSGFMPK-KRWDZBQOSA-N 0 3 323.465 4.614 20 70 DJIDHN COc1cc(CN[C@@H]2CCCc3sccc32)ccc1SC ZINC000160969641 522479122 /nfs/dbraw/zinc/47/91/22/522479122.db2.gz AXWHLPYSWUVKME-CQSZACIVSA-N 0 3 319.495 4.646 20 70 DJIDHN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C)s2)cc1OC ZINC000159942007 332733977 /nfs/dbraw/zinc/73/39/77/332733977.db2.gz NVZWODBVPPZFGH-ZIAGYGMSSA-N 0 3 319.470 4.876 20 70 DJIDHN C[C@@H]1CC[C@@H](N[C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000160837082 333368627 /nfs/dbraw/zinc/36/86/27/333368627.db2.gz NKOIBWWTRFJVBW-TYCQWZJGSA-N 0 3 309.453 4.728 20 70 DJIDHN Cc1ccc(CN[C@@H](C)c2cc(C)ccc2OC(F)F)s1 ZINC000160906152 333685718 /nfs/dbraw/zinc/68/57/18/333685718.db2.gz JLBTVXJPQMSFLP-LBPRGKRZSA-N 0 3 311.397 4.817 20 70 DJIDHN c1cc2c(s1)CCC[C@@H]2NCc1cccc(-c2cccnc2)c1 ZINC000160992785 333776855 /nfs/dbraw/zinc/77/68/55/333776855.db2.gz JKZXPFUEJHERBD-IBGZPJMESA-N 0 3 320.461 4.977 20 70 DJIDHN CC[C@@H](N[C@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160891158 522944275 /nfs/dbraw/zinc/94/42/75/522944275.db2.gz SGSMMQNFLJWAPV-RTBURBONSA-N 0 3 317.860 4.895 20 70 DJIDHN C[C@@H](N[C@H](c1ccsc1)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000160886913 525672241 /nfs/dbraw/zinc/67/22/41/525672241.db2.gz BNMQRHOKJQVXDG-MRRJBJDNSA-N 0 3 321.873 4.506 20 70 DJIDHN CCOc1cccc(CN[C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000159384134 332082182 /nfs/dbraw/zinc/08/21/82/332082182.db2.gz CRTPPJBXHBEWLL-ZDUSSCGKSA-N 0 3 318.486 4.824 20 70 DJIDHN C[C@H](NCc1coc2ccccc12)c1cccc(OC(F)F)c1 ZINC000159804183 338532552 /nfs/dbraw/zinc/53/25/52/338532552.db2.gz FRASPEKCOMJNRQ-LBPRGKRZSA-N 0 3 317.335 4.885 20 70 DJIDHN COc1cc(CN[C@H]2CCCc3sccc32)ccc1SC ZINC000160969786 522488940 /nfs/dbraw/zinc/48/89/40/522488940.db2.gz AXWHLPYSWUVKME-AWEZNQCLSA-N 0 3 319.495 4.646 20 70 DJIDHN Cc1cccc([C@@H](C)NCc2ccc(F)c(Br)c2)c1 ZINC000160153558 332765928 /nfs/dbraw/zinc/76/59/28/332765928.db2.gz TWXKQAJEEYNJFV-GFCCVEGCSA-N 0 3 322.221 4.747 20 70 DJIDHN CCOc1ccc([C@@H](C)N[C@@H](CC)c2cccs2)cc1OC ZINC000159952512 332736206 /nfs/dbraw/zinc/73/62/06/332736206.db2.gz OTXKEFCCCACBRZ-HIFRSBDPSA-N 0 3 319.470 4.957 20 70 DJIDHN CC(C)c1ccc([C@@H](C)N[C@H](CCCO)c2ccccc2)cc1 ZINC000160668066 333460269 /nfs/dbraw/zinc/46/02/69/333460269.db2.gz GPWYZYGFLSUNHQ-DYESRHJHSA-N 0 3 311.469 4.974 20 70 DJIDHN CC(C)[C@@H](N[C@@H](C)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000161023867 333782047 /nfs/dbraw/zinc/78/20/47/333782047.db2.gz AXDLXAMONFQCLW-SCLBCKFNSA-N 0 3 317.454 4.567 20 70 DJIDHN Fc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCSc2ccc(F)cc21 ZINC000159420907 338525546 /nfs/dbraw/zinc/52/55/46/338525546.db2.gz XDHLNRSGGMUQCL-DLBZAZTESA-N 0 3 317.404 4.779 20 70 DJIDHN CC[C@H](NCc1cc(F)cc(Cl)c1)c1ccc(OC)cc1 ZINC000160864023 338568363 /nfs/dbraw/zinc/56/83/63/338568363.db2.gz JXCTZENEFYXLEO-KRWDZBQOSA-N 0 3 307.796 4.729 20 70 DJIDHN COc1cc([C@@H](C)NCc2ccc(C)s2)ccc1SC ZINC000160934007 522906897 /nfs/dbraw/zinc/90/68/97/522906897.db2.gz ARKRNNOCZIOVHC-GFCCVEGCSA-N 0 3 307.484 4.638 20 70 DJIDHN Cc1ccccc1[C@H](C)N[C@H](C)c1cccc(-n2cccn2)c1 ZINC000159737954 332697408 /nfs/dbraw/zinc/69/74/08/332697408.db2.gz ACPYBWIBYCWFIZ-SJORKVTESA-N 0 3 305.425 4.593 20 70 DJIDHN CCc1ccc([C@H](CC)N[C@@H](CCCO)c2ccccc2)cc1 ZINC000160776804 333368229 /nfs/dbraw/zinc/36/82/29/333368229.db2.gz RRSQGUCNWGHIRX-SFTDATJTSA-N 0 3 311.469 4.804 20 70 DJIDHN Cc1cccc([C@H](C)N[C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000160836946 333668378 /nfs/dbraw/zinc/66/83/78/333668378.db2.gz SZUVYHSROGPBKD-IRXDYDNUSA-N 0 3 305.425 4.593 20 70 DJIDHN CC(C)C[C@H](N[C@@H](CCCO)c1ccccc1)c1cccs1 ZINC000160823167 519398545 /nfs/dbraw/zinc/39/85/45/519398545.db2.gz GBSYUBWWBOHFCA-ROUUACIJSA-N 0 3 317.498 4.939 20 70 DJIDHN Clc1ccc([C@H](N[C@H]2CCSC2)c2cccs2)cc1 ZINC000160438957 332794579 /nfs/dbraw/zinc/79/45/79/332794579.db2.gz IMOLIDJZEIYEIQ-ZFWWWQNUSA-N 0 3 309.887 4.586 20 70 DJIDHN c1ccc([C@H]2C[C@H](Nc3ccnc4ccccc43)CCO2)cc1 ZINC000160558184 332821845 /nfs/dbraw/zinc/82/18/45/332821845.db2.gz NECTTYWCIZCQKB-OXQOHEQNSA-N 0 3 304.393 4.567 20 70 DJIDHN CCOc1cccc(CN[C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000159384269 332082199 /nfs/dbraw/zinc/08/21/99/332082199.db2.gz CRTPPJBXHBEWLL-CYBMUJFWSA-N 0 3 318.486 4.824 20 70 DJIDHN Cc1ccccc1[C@@H](C)NCc1ccc(-c2cccnc2)cc1 ZINC000159732767 332696888 /nfs/dbraw/zinc/69/68/88/332696888.db2.gz CLTNPRCCQLAMJM-QGZVFWFLSA-N 0 3 302.421 4.908 20 70 DJIDHN CCc1ccc([C@H](CC)N[C@H](CCCO)c2ccccc2)cc1 ZINC000160777032 333368340 /nfs/dbraw/zinc/36/83/40/333368340.db2.gz RRSQGUCNWGHIRX-LEWJYISDSA-N 0 3 311.469 4.804 20 70 DJIDHN Cc1cccc([C@@H](C)N[C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000160836815 333668355 /nfs/dbraw/zinc/66/83/55/333668355.db2.gz SZUVYHSROGPBKD-SJORKVTESA-N 0 3 305.425 4.593 20 70 DJIDHN COc1ccc2oc(CN[C@@H]3CCCc4sccc43)cc2c1 ZINC000160980601 333735957 /nfs/dbraw/zinc/73/59/57/333735957.db2.gz RONPILBHOIENRI-MRXNPFEDSA-N 0 3 313.422 4.670 20 70 DJIDHN Fc1ccc2c(c1)CC[C@H]2N[C@@H]1CCSc2ccc(F)cc21 ZINC000159421050 338525515 /nfs/dbraw/zinc/52/55/15/338525515.db2.gz XDHLNRSGGMUQCL-IAGOWNOFSA-N 0 3 317.404 4.779 20 70 DJIDHN Fc1ccc2c(c1)CC[C@H]2N[C@H]1CCSc2ccc(F)cc21 ZINC000159421351 338525752 /nfs/dbraw/zinc/52/57/52/338525752.db2.gz XDHLNRSGGMUQCL-SJORKVTESA-N 0 3 317.404 4.779 20 70 DJIDHN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C)s2)cc1OC ZINC000159941888 332733880 /nfs/dbraw/zinc/73/38/80/332733880.db2.gz NVZWODBVPPZFGH-KBPBESRZSA-N 0 3 319.470 4.876 20 70 DJIDHN CC(C)n1cc([C@H](C)NCCSc2ccc(Cl)cc2)cn1 ZINC000160084594 332758032 /nfs/dbraw/zinc/75/80/32/332758032.db2.gz CWZGIWYTFHTUJL-ZDUSSCGKSA-N 0 3 323.893 4.560 20 70 DJIDHN C[C@H]1CC[C@@H](N[C@@H](CCCO)c2ccccc2)c2ccccc21 ZINC000160837230 333368701 /nfs/dbraw/zinc/36/87/01/333368701.db2.gz NKOIBWWTRFJVBW-ORYQWCPZSA-N 0 3 309.453 4.728 20 70 DJIDHN CC(C)[C@@H](N[C@H](C)c1cccs1)c1ccc2c(c1)OCCO2 ZINC000161024116 333782032 /nfs/dbraw/zinc/78/20/32/333782032.db2.gz AXDLXAMONFQCLW-FZKQIMNGSA-N 0 3 317.454 4.567 20 70 DJIDHN CC(C)C[C@@H](N[C@H](CCCO)c1ccccc1)c1cccs1 ZINC000160823533 519253793 /nfs/dbraw/zinc/25/37/93/519253793.db2.gz GBSYUBWWBOHFCA-QZTJIDSGSA-N 0 3 317.498 4.939 20 70 DJIDHN Cc1ccc(CN[C@@H](C)c2ccc(SCC(F)F)cc2)cn1 ZINC000161264280 524594569 /nfs/dbraw/zinc/59/45/69/524594569.db2.gz GLVIMCODWJWOFM-ZDUSSCGKSA-N 0 3 322.424 4.598 20 70 DJIDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1ccc(C)nc1 ZINC000161309126 526605912 /nfs/dbraw/zinc/60/59/12/526605912.db2.gz YGBQMVFAAFWZMD-CQSZACIVSA-N 0 3 323.465 4.673 20 70 DJIDHN Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccc(C)nc1 ZINC000161309002 526606099 /nfs/dbraw/zinc/60/60/99/526606099.db2.gz YGBQMVFAAFWZMD-AWEZNQCLSA-N 0 3 323.465 4.673 20 70 DJIDHN CCc1ccc([C@H](N[C@@H](C)c2cnc(C)nc2C)C(C)C)cc1 ZINC000160401855 332790825 /nfs/dbraw/zinc/79/08/25/332790825.db2.gz FGGMETLONYXORA-MGPUTAFESA-N 0 3 311.473 4.704 20 70 DJIDHN CCOc1ccc([C@H](C)N[C@@H](C)c2sccc2C)cc1OC ZINC000159955231 332867618 /nfs/dbraw/zinc/86/76/18/332867618.db2.gz DIQGRZFRYFZJKC-KBPBESRZSA-N 0 3 319.470 4.876 20 70 DJIDHN CCCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C)s2)c1 ZINC000159868914 332717684 /nfs/dbraw/zinc/71/76/84/332717684.db2.gz IZGHPOCLFJHHSJ-AWEZNQCLSA-N 0 3 316.470 4.646 20 70 DJIDHN CCc1ccc([C@@H](CC)N[C@H](CCCO)c2ccccc2)cc1 ZINC000160776925 333368273 /nfs/dbraw/zinc/36/82/73/333368273.db2.gz RRSQGUCNWGHIRX-NHCUHLMSSA-N 0 3 311.469 4.804 20 70 DJIDHN C[C@H](N[C@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160860046 333672920 /nfs/dbraw/zinc/67/29/20/333672920.db2.gz IKDNYNWREMEMKI-KBXCAEBGSA-N 0 3 303.833 4.504 20 70 DJIDHN Cc1cc(C)c([C@@H](C)N[C@H](CCCO)c2ccccc2)cc1C ZINC000160896537 333684546 /nfs/dbraw/zinc/68/45/46/333684546.db2.gz WMINZFUTKRKBGT-WIYYLYMNSA-N 0 3 311.469 4.776 20 70 DJIDHN c1cc2c(s1)CCC[C@@H]2NCc1cnc(C2CCC2)s1 ZINC000160972592 333728887 /nfs/dbraw/zinc/72/88/87/333728887.db2.gz QWRYBZTVGCTDPO-AWEZNQCLSA-N 0 3 304.484 4.639 20 70 DJIDHN Fc1ccc(CN[C@@H]2CCCc3sccc32)c2ncccc12 ZINC000160977290 333730320 /nfs/dbraw/zinc/73/03/20/333730320.db2.gz RWVKKZCCYQIUGN-MRXNPFEDSA-N 0 3 312.413 4.603 20 70 DJIDHN C[C@@H](NCc1coc2ccccc12)c1cccc(OC(F)F)c1 ZINC000159804302 338532562 /nfs/dbraw/zinc/53/25/62/338532562.db2.gz FRASPEKCOMJNRQ-GFCCVEGCSA-N 0 3 317.335 4.885 20 70 DJIDHN Cc1ccccc1[C@@H](C)NCc1ccccc1OC(F)(F)F ZINC000217021764 340486311 /nfs/dbraw/zinc/48/63/11/340486311.db2.gz DRPCGMZDPKAWIN-CYBMUJFWSA-N 0 3 309.331 4.744 20 70 DJIDHN C[C@@H](N[C@H](c1ccsc1)c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000160887148 525673593 /nfs/dbraw/zinc/67/35/93/525673593.db2.gz BNMQRHOKJQVXDG-IFIJOSMWSA-N 0 3 321.873 4.506 20 70 DJIDHN Clc1ccc([C@@H](N[C@H]2CCSC2)c2cccs2)cc1 ZINC000160438821 332794514 /nfs/dbraw/zinc/79/45/14/332794514.db2.gz IMOLIDJZEIYEIQ-DZGCQCFKSA-N 0 3 309.887 4.586 20 70 DJIDHN CCCC(=O)Nc1cccc(CN[C@H](C)c2ccc(C)s2)c1 ZINC000159869040 332717757 /nfs/dbraw/zinc/71/77/57/332717757.db2.gz IZGHPOCLFJHHSJ-CQSZACIVSA-N 0 3 316.470 4.646 20 70 DJIDHN CCCOc1ccc([C@@H](C)N[C@@H](C)c2cccs2)cc1OC ZINC000159991669 332743696 /nfs/dbraw/zinc/74/36/96/332743696.db2.gz RNTNOCWLCCOEPV-KGLIPLIRSA-N 0 3 319.470 4.957 20 70 DJIDHN CC[C@@H](NCc1ccc(C)nc1)c1ccc2cc(OC)ccc2c1 ZINC000161286772 337578635 /nfs/dbraw/zinc/57/86/35/337578635.db2.gz FEYJOWAJFPHLOW-OAQYLSRUSA-N 0 3 320.436 4.793 20 70 DJIDHN Fc1cc(Cl)ccc1CN[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000160761167 338563843 /nfs/dbraw/zinc/56/38/43/338563843.db2.gz JKRDHWPOFBTHIH-JQWIXIFHSA-N 0 3 309.734 4.690 20 70 DJIDHN CC(C)C[C@@H](N[C@@H](CCCO)c1ccccc1)c1cccs1 ZINC000160823274 519253535 /nfs/dbraw/zinc/25/35/35/519253535.db2.gz GBSYUBWWBOHFCA-ZWKOTPCHSA-N 0 3 317.498 4.939 20 70 DJIDHN CC[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160890864 522920295 /nfs/dbraw/zinc/92/02/95/522920295.db2.gz SGSMMQNFLJWAPV-MOPGFXCFSA-N 0 3 317.860 4.895 20 70 DJIDHN C[C@H](N[C@H](c1ccsc1)c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000160886771 525600598 /nfs/dbraw/zinc/60/05/98/525600598.db2.gz BNMQRHOKJQVXDG-QEORTHHSSA-N 0 3 321.873 4.506 20 70 DJIDHN CCCC(=O)Nc1cccc(CN[C@@H]2CCc3ccc(C)cc32)c1 ZINC000159918351 332729766 /nfs/dbraw/zinc/72/97/66/332729766.db2.gz PKZKYKIVPZSUIX-HXUWFJFHSA-N 0 3 322.452 4.511 20 70 DJIDHN Cc1cccc([C@@H](C)N[C@H](C)c2ccccc2-n2cccn2)c1 ZINC000160837072 333668514 /nfs/dbraw/zinc/66/85/14/333668514.db2.gz SZUVYHSROGPBKD-IAGOWNOFSA-N 0 3 305.425 4.593 20 70 DJIDHN C[C@H](N[C@H](c1ccsc1)c1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000160887013 525600228 /nfs/dbraw/zinc/60/02/28/525600228.db2.gz BNMQRHOKJQVXDG-JDFRZJQESA-N 0 3 321.873 4.506 20 70 DJIDHN Cc1ccc([C@H](C)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000160553697 332820296 /nfs/dbraw/zinc/82/02/96/332820296.db2.gz KKZTXGCUBXXDAB-SFHVURJKSA-N 0 3 323.484 4.621 20 70 DJIDHN Fc1ccc(CNCc2cc3ccccc3[nH]2)cc1C(F)(F)F ZINC000161329987 337580898 /nfs/dbraw/zinc/58/08/98/337580898.db2.gz IAADHPWVXMNURX-UHFFFAOYSA-N 0 3 322.305 4.616 20 70 DJIDHN CC[C@@H](NCc1cc(F)cc(Cl)c1)c1ccc(OC)cc1 ZINC000160864164 338568335 /nfs/dbraw/zinc/56/83/35/338568335.db2.gz JXCTZENEFYXLEO-QGZVFWFLSA-N 0 3 307.796 4.729 20 70 DJIDHN CCc1ccc([C@H](N[C@H](C)c2cnc(C)nc2C)C(C)C)cc1 ZINC000160402112 332790672 /nfs/dbraw/zinc/79/06/72/332790672.db2.gz FGGMETLONYXORA-FOIQADDNSA-N 0 3 311.473 4.704 20 70 DJIDHN Clc1ccc([C@H](N[C@@H]2CCSC2)c2cccs2)cc1 ZINC000160438702 332794712 /nfs/dbraw/zinc/79/47/12/332794712.db2.gz IMOLIDJZEIYEIQ-HIFRSBDPSA-N 0 3 309.887 4.586 20 70 DJIDHN CC1(C)C[C@@H](NCc2ccc(-c3ccccc3Cl)o2)CCO1 ZINC000160492140 332810746 /nfs/dbraw/zinc/81/07/46/332810746.db2.gz AQHIFMUXEMGFIJ-ZDUSSCGKSA-N 0 3 319.832 4.647 20 70 DJIDHN CCc1ccc([C@@H](CC)N[C@@H](CCCO)c2ccccc2)cc1 ZINC000160776676 333368301 /nfs/dbraw/zinc/36/83/01/333368301.db2.gz RRSQGUCNWGHIRX-RTWAWAEBSA-N 0 3 311.469 4.804 20 70 DJIDHN CCc1ccc([C@@H](C)NCc2ccccc2OC(F)F)cc1 ZINC000216728438 333503983 /nfs/dbraw/zinc/50/39/83/333503983.db2.gz BGOXDWRBWLHTQQ-CYBMUJFWSA-N 0 3 305.368 4.701 20 70 DJIDHN Cc1cccc([C@@H](C)NCc2ccc(Br)c(F)c2)c1 ZINC000161335500 337581670 /nfs/dbraw/zinc/58/16/70/337581670.db2.gz LKFQYYVUYPFUIR-GFCCVEGCSA-N 0 3 322.221 4.747 20 70 DJIDHN CCCC(=O)Nc1cccc(CN[C@H](C)c2sccc2C)c1 ZINC000159897609 332724638 /nfs/dbraw/zinc/72/46/38/332724638.db2.gz KJPYDDWGXKUOOD-CQSZACIVSA-N 0 3 316.470 4.646 20 70 DJIDHN CCOc1ccc([C@H](C)N[C@H](C)c2sccc2C)cc1OC ZINC000159955461 332736212 /nfs/dbraw/zinc/73/62/12/332736212.db2.gz DIQGRZFRYFZJKC-UONOGXRCSA-N 0 3 319.470 4.876 20 70 DJIDHN CCCc1ccc([C@@H](C)N[C@@H](CCCO)c2ccccc2)cc1 ZINC000160770456 333655773 /nfs/dbraw/zinc/65/57/73/333655773.db2.gz AJBSWRMHMKDKTL-UTKZUKDTSA-N 0 3 311.469 4.804 20 70 DJIDHN C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc(Cl)cc1 ZINC000160859814 333672867 /nfs/dbraw/zinc/67/28/67/333672867.db2.gz IKDNYNWREMEMKI-KSSFIOAISA-N 0 3 303.833 4.504 20 70 DJIDHN Fc1ccc2c(c1)CC[C@@H]2N[C@H]1CCSc2ccc(F)cc21 ZINC000159421200 338525705 /nfs/dbraw/zinc/52/57/05/338525705.db2.gz XDHLNRSGGMUQCL-IRXDYDNUSA-N 0 3 317.404 4.779 20 70 DJIDHN