smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CS[C@@H](c2ccn(-c3cccc(Br)c3)c2)N1Cc1ccccc1 ZINC000216673801 568466285 /nfs/dbraw/zinc/46/62/85/568466285.db2.gz PBHCYCNGAOVLHS-FQEVSTJZSA-N 0 0 413.340 5.014 40 70 HKIBRN O=C1CS[C@H](c2ccn(-c3cccc(Br)c3)c2)N1Cc1ccccc1 ZINC000216673842 568466268 /nfs/dbraw/zinc/46/62/68/568466268.db2.gz PBHCYCNGAOVLHS-HXUWFJFHSA-N 0 0 413.340 5.014 40 70 HKIBRN O=C1CS[C@@H](c2ccn(-c3cccc(C(F)(F)F)c3)c2)N1Cc1ccccc1 ZINC000216673901 568466217 /nfs/dbraw/zinc/46/62/17/568466217.db2.gz PAFHKRJXUPHVHH-FQEVSTJZSA-N 0 0 402.441 5.270 40 70 HKIBRN O=C1CS[C@H](c2ccn(-c3cccc(C(F)(F)F)c3)c2)N1Cc1ccccc1 ZINC000216673946 568466261 /nfs/dbraw/zinc/46/62/61/568466261.db2.gz PAFHKRJXUPHVHH-HXUWFJFHSA-N 0 0 402.441 5.270 40 70 HKIBRN O=C1CS[C@@H](c2ccn(-c3ccc(Br)cc3)c2)N1Cc1ccccc1 ZINC000216674006 568466220 /nfs/dbraw/zinc/46/62/20/568466220.db2.gz NWZLPIHDTRQGGP-FQEVSTJZSA-N 0 0 413.340 5.014 40 70 HKIBRN O=C1CS[C@H](c2ccn(-c3ccc(Br)cc3)c2)N1Cc1ccccc1 ZINC000216674051 568466213 /nfs/dbraw/zinc/46/62/13/568466213.db2.gz NWZLPIHDTRQGGP-HXUWFJFHSA-N 0 0 413.340 5.014 40 70 HKIBRN O=C1CS[C@@H](c2ccn(-c3ccccc3C(F)(F)F)c2)N1Cc1ccccc1 ZINC000216674550 568466201 /nfs/dbraw/zinc/46/62/01/568466201.db2.gz ZICCMGPZAVXGBP-FQEVSTJZSA-N 0 0 402.441 5.270 40 70 HKIBRN O=C1CS[C@H](c2ccn(-c3ccccc3C(F)(F)F)c2)N1Cc1ccccc1 ZINC000216674592 568466283 /nfs/dbraw/zinc/46/62/83/568466283.db2.gz ZICCMGPZAVXGBP-HXUWFJFHSA-N 0 0 402.441 5.270 40 70 HKIBRN O=C1CS[C@@H](c2ccn(-c3ccc(C(F)(F)F)cc3)c2)N1Cc1ccccc1 ZINC000216674658 568466205 /nfs/dbraw/zinc/46/62/05/568466205.db2.gz IZVQFPHMUABOKM-FQEVSTJZSA-N 0 0 402.441 5.270 40 70 HKIBRN O=C1CS[C@H](c2ccn(-c3ccc(C(F)(F)F)cc3)c2)N1Cc1ccccc1 ZINC000216674697 568466232 /nfs/dbraw/zinc/46/62/32/568466232.db2.gz IZVQFPHMUABOKM-HXUWFJFHSA-N 0 0 402.441 5.270 40 70 HKIBRN O=C1CS[C@@H](c2ccn(-c3ccccc3Br)c2)N1Cc1ccccc1 ZINC000216674878 568466215 /nfs/dbraw/zinc/46/62/15/568466215.db2.gz RPUGLELCBSGNCF-FQEVSTJZSA-N 0 0 413.340 5.014 40 70 HKIBRN O=C1CS[C@H](c2ccn(-c3ccccc3Br)c2)N1Cc1ccccc1 ZINC000216674917 568466219 /nfs/dbraw/zinc/46/62/19/568466219.db2.gz RPUGLELCBSGNCF-HXUWFJFHSA-N 0 0 413.340 5.014 40 70 HKIBRN COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000216743814 568466617 /nfs/dbraw/zinc/46/66/17/568466617.db2.gz BDYNAPKYBMDZHL-OAQYLSRUSA-N 0 0 402.416 5.036 40 70 HKIBRN COc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000216743859 568466641 /nfs/dbraw/zinc/46/66/41/568466641.db2.gz BDYNAPKYBMDZHL-NRFANRHFSA-N 0 0 402.416 5.036 40 70 HKIBRN COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1 ZINC000216744471 568466640 /nfs/dbraw/zinc/46/66/40/568466640.db2.gz YIEPTFSGVMBAGJ-OAQYLSRUSA-N 0 0 402.416 5.036 40 70 HKIBRN COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3C(F)(F)F)c2)cc1 ZINC000216744524 568466597 /nfs/dbraw/zinc/46/65/97/568466597.db2.gz YIEPTFSGVMBAGJ-NRFANRHFSA-N 0 0 402.416 5.036 40 70 HKIBRN COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000216744581 568466599 /nfs/dbraw/zinc/46/65/99/568466599.db2.gz JTVBRWVUWTZMFO-OAQYLSRUSA-N 0 0 402.416 5.036 40 70 HKIBRN COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000216744629 568466601 /nfs/dbraw/zinc/46/66/01/568466601.db2.gz JTVBRWVUWTZMFO-NRFANRHFSA-N 0 0 402.416 5.036 40 70 HKIBRN COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000216862789 569281615 /nfs/dbraw/zinc/28/16/15/569281615.db2.gz VYNRABKFKAPTQO-MDZDMXLPSA-N 0 0 414.255 5.437 40 70 HKIBRN O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000216862823 569281572 /nfs/dbraw/zinc/28/15/72/569281572.db2.gz SPCICTHEOYXVTJ-AATRIKPKSA-N 0 0 403.059 5.582 40 70 HKIBRN C[C@@H]1C[C@]2(C)Oc3ccccc3[C@@H]3OC[C@]1(COC(=O)NC1CCCCC1)[C@@H](C)[C@H]32 ZINC000217349202 568471728 /nfs/dbraw/zinc/47/17/28/568471728.db2.gz HTEHTVFZNJDZHV-VOYQDMSPSA-N 0 0 413.558 5.246 40 70 HKIBRN C[C@@H]1C[C@]2(C)Oc3ccccc3[C@@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@H]32 ZINC000217365274 568471721 /nfs/dbraw/zinc/47/17/21/568471721.db2.gz UONFBIWUOHBYQS-VOYQDMSPSA-N 0 0 407.510 5.436 40 70 HKIBRN Cc1ccc(Nc2cc(C)c3cc(S(=O)(=O)Cc4ccccc4)ccc3n2)cc1 ZINC000217430854 568879092 /nfs/dbraw/zinc/87/90/92/568879092.db2.gz YDTQBXYEDGGPSD-UHFFFAOYSA-N 0 0 402.519 5.569 40 70 HKIBRN Cc1cc(SCc2ccccc2)nc2ccc(S(=O)(=O)Cc3ccccc3)cc12 ZINC000217436152 568880130 /nfs/dbraw/zinc/88/01/30/568880130.db2.gz QKZRSXLZKHJFBY-UHFFFAOYSA-N 0 0 419.571 5.809 40 70 HKIBRN O=C(Nc1cccc(OC(F)(F)C(F)F)c1)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2 ZINC000217479851 568472330 /nfs/dbraw/zinc/47/23/30/568472330.db2.gz VBEKPNJXBDYVGD-KZBLUPIWSA-N 0 0 405.819 5.440 40 70 HKIBRN COc1ccc(-c2nc(N)cc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC ZINC000217757429 568473799 /nfs/dbraw/zinc/47/37/99/568473799.db2.gz AQAUMTKYNAWPHB-UHFFFAOYSA-N 0 0 414.465 5.279 40 70 HKIBRN CCOC(=O)c1c(C)n(CCc2ccccc2)c2ccc(OCc3ccccc3)cc21 ZINC000217767354 568473809 /nfs/dbraw/zinc/47/38/09/568473809.db2.gz WOZSXPQLQWABDI-UHFFFAOYSA-N 0 0 413.517 5.948 40 70 HKIBRN CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(OCc3ccccc3)cc21 ZINC000217767457 568473807 /nfs/dbraw/zinc/47/38/07/568473807.db2.gz HOOJMRKALLCBAS-UHFFFAOYSA-N 0 0 400.478 5.149 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)CC(C)(C)O2 ZINC000217907694 568474239 /nfs/dbraw/zinc/47/42/39/568474239.db2.gz XOJMQDGFUQPJGU-YXOJNZSOSA-N 0 0 406.309 5.434 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)CC(C)(C)O2 ZINC000217907773 568474254 /nfs/dbraw/zinc/47/42/54/568474254.db2.gz XOJMQDGFUQPJGU-QKYXPGDISA-N 0 0 406.309 5.434 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000217907876 568474192 /nfs/dbraw/zinc/47/41/92/568474192.db2.gz UBAMSDQUDSVZID-YXOJNZSOSA-N 0 0 406.309 5.434 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000217907932 568474184 /nfs/dbraw/zinc/47/41/84/568474184.db2.gz UBAMSDQUDSVZID-QKYXPGDISA-N 0 0 406.309 5.434 40 70 HKIBRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000217909224 568474175 /nfs/dbraw/zinc/47/41/75/568474175.db2.gz MYFVBCOUKVJSBE-XBXARRHUSA-N 0 0 408.672 5.026 40 70 HKIBRN Cc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1 ZINC000217909335 568474176 /nfs/dbraw/zinc/47/41/76/568474176.db2.gz NGUPPRIWRUDHOV-VQHVLOKHSA-N 0 0 402.281 5.024 40 70 HKIBRN Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 ZINC000217909442 568474225 /nfs/dbraw/zinc/47/42/25/568474225.db2.gz PCTNNDQYVLXEOV-CSKARUKUSA-N 0 0 402.281 5.024 40 70 HKIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000217909827 568474299 /nfs/dbraw/zinc/47/42/99/568474299.db2.gz ILZFFQKDWQLYQN-WEVVVXLNSA-N 0 0 422.699 5.369 40 70 HKIBRN CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2 ZINC000217914807 568474319 /nfs/dbraw/zinc/47/43/19/568474319.db2.gz NEMDWVAFHRGICR-BCVIDUSVSA-N 0 0 414.933 5.169 40 70 HKIBRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000217949178 568474298 /nfs/dbraw/zinc/47/42/98/568474298.db2.gz RJGDBKMYWSXHAD-QGOAFFKASA-N 0 0 401.575 6.928 40 70 HKIBRN CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000217949389 568474342 /nfs/dbraw/zinc/47/43/42/568474342.db2.gz LCKFAYARUBHSBX-IZZDOVSWSA-N 0 0 422.421 6.354 40 70 HKIBRN CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000217949613 568474309 /nfs/dbraw/zinc/47/43/09/568474309.db2.gz JMLISMCFLVICGJ-YRNVUSSQSA-N 0 0 422.421 6.354 40 70 HKIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000217956042 568474308 /nfs/dbraw/zinc/47/43/08/568474308.db2.gz KEPQXLFKXAYEJY-SDNWHVSQSA-N 0 0 409.917 5.359 40 70 HKIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000217956170 568474286 /nfs/dbraw/zinc/47/42/86/568474286.db2.gz OIGLGQBEKJSIBB-VGOFMYFVSA-N 0 0 409.917 5.359 40 70 HKIBRN O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl ZINC000217957027 568474320 /nfs/dbraw/zinc/47/43/20/568474320.db2.gz ILUZOKNIISIKHZ-FPYGCLRLSA-N 0 0 400.758 5.710 40 70 HKIBRN O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000217957129 568474291 /nfs/dbraw/zinc/47/42/91/568474291.db2.gz VAGQRMMAXNWGET-XBXARRHUSA-N 0 0 400.758 5.710 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217991484 568474427 /nfs/dbraw/zinc/47/44/27/568474427.db2.gz ZDTNKSDXTOMVCR-ACJLOTCBSA-N 0 0 405.947 5.248 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217991557 568474403 /nfs/dbraw/zinc/47/44/03/568474403.db2.gz ZDTNKSDXTOMVCR-FZKQIMNGSA-N 0 0 405.947 5.248 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217991633 568474402 /nfs/dbraw/zinc/47/44/02/568474402.db2.gz ZDTNKSDXTOMVCR-UGSOOPFHSA-N 0 0 405.947 5.248 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000217991704 568474424 /nfs/dbraw/zinc/47/44/24/568474424.db2.gz ZDTNKSDXTOMVCR-SCLBCKFNSA-N 0 0 405.947 5.248 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000217991812 568474447 /nfs/dbraw/zinc/47/44/47/568474447.db2.gz BUUQTQUBWSVPSS-ACJLOTCBSA-N 0 0 405.947 5.248 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000217991895 568474406 /nfs/dbraw/zinc/47/44/06/568474406.db2.gz BUUQTQUBWSVPSS-FZKQIMNGSA-N 0 0 405.947 5.248 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000217991979 568474437 /nfs/dbraw/zinc/47/44/37/568474437.db2.gz BUUQTQUBWSVPSS-UGSOOPFHSA-N 0 0 405.947 5.248 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000217992051 568474432 /nfs/dbraw/zinc/47/44/32/568474432.db2.gz BUUQTQUBWSVPSS-SCLBCKFNSA-N 0 0 405.947 5.248 40 70 HKIBRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000217995756 568474444 /nfs/dbraw/zinc/47/44/44/568474444.db2.gz NQNNWKXBZBAEKW-GFCCVEGCSA-N 0 0 422.337 5.183 40 70 HKIBRN C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000217995834 568474435 /nfs/dbraw/zinc/47/44/35/568474435.db2.gz NQNNWKXBZBAEKW-LBPRGKRZSA-N 0 0 422.337 5.183 40 70 HKIBRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000217995934 568474548 /nfs/dbraw/zinc/47/45/48/568474548.db2.gz BHIBRIRVLDIYMS-GFCCVEGCSA-N 0 0 422.337 5.183 40 70 HKIBRN C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000217996013 568474526 /nfs/dbraw/zinc/47/45/26/568474526.db2.gz BHIBRIRVLDIYMS-LBPRGKRZSA-N 0 0 422.337 5.183 40 70 HKIBRN CCOc1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1OCC ZINC000217997247 568474531 /nfs/dbraw/zinc/47/45/31/568474531.db2.gz KKFJQFHHPIWAPF-UHFFFAOYSA-N 0 0 421.562 5.706 40 70 HKIBRN COc1cc(CNC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OC(C)C ZINC000217997358 568474553 /nfs/dbraw/zinc/47/45/53/568474553.db2.gz ZMGFWTAWJKHDIH-UHFFFAOYSA-N 0 0 421.562 5.705 40 70 HKIBRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000217998306 568474541 /nfs/dbraw/zinc/47/45/41/568474541.db2.gz KEXSKVWDTPOMIH-GOSISDBHSA-N 0 0 407.535 5.185 40 70 HKIBRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000217998371 568474520 /nfs/dbraw/zinc/47/45/20/568474520.db2.gz KEXSKVWDTPOMIH-SFHVURJKSA-N 0 0 407.535 5.185 40 70 HKIBRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(CSc2ccccc2)cc1 ZINC000217998610 568474562 /nfs/dbraw/zinc/47/45/62/568474562.db2.gz JSTFXAONSFSKAQ-UHFFFAOYSA-N 0 0 423.537 6.462 40 70 HKIBRN CC(C)Oc1cccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)c1 ZINC000217998719 568474540 /nfs/dbraw/zinc/47/45/40/568474540.db2.gz CHRKGSUYEGCSDR-UHFFFAOYSA-N 0 0 419.590 6.129 40 70 HKIBRN CC(C)Oc1ccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000217998843 568474534 /nfs/dbraw/zinc/47/45/34/568474534.db2.gz YRQNCTCWRWQGRA-UHFFFAOYSA-N 0 0 419.590 6.129 40 70 HKIBRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000217999057 568474564 /nfs/dbraw/zinc/47/45/64/568474564.db2.gz PXJFKZLAGKDXAV-UHFFFAOYSA-N 0 0 403.547 6.553 40 70 HKIBRN CC1(C)C[C@@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2O1 ZINC000217999178 568474567 /nfs/dbraw/zinc/47/45/67/568474567.db2.gz HEHOVEGGVCNFDE-JOCHJYFZSA-N 0 0 403.547 6.011 40 70 HKIBRN CC1(C)C[C@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2O1 ZINC000217999261 568474536 /nfs/dbraw/zinc/47/45/36/568474536.db2.gz HEHOVEGGVCNFDE-QFIPXVFZSA-N 0 0 403.547 6.011 40 70 HKIBRN CCOc1ccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000217999386 568474527 /nfs/dbraw/zinc/47/45/27/568474527.db2.gz PNJBWFANCSAECU-UHFFFAOYSA-N 0 0 405.563 5.740 40 70 HKIBRN CCCOc1ccccc1CCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000217999524 568474556 /nfs/dbraw/zinc/47/45/56/568474556.db2.gz GSDSDHULSVNJKX-UHFFFAOYSA-N 0 0 419.590 6.130 40 70 HKIBRN COc1ccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC ZINC000217999631 568474543 /nfs/dbraw/zinc/47/45/43/568474543.db2.gz AHTQPSKNMXSBFH-UHFFFAOYSA-N 0 0 421.562 5.359 40 70 HKIBRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CSc3ccccc3)cc1)CC(C)(C)O2 ZINC000218000533 568474522 /nfs/dbraw/zinc/47/45/22/568474522.db2.gz NMFUVJKLCPNFQY-QHCPKHFHSA-N 0 0 417.574 6.320 40 70 HKIBRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CSc3ccccc3)cc1)CC(C)(C)O2 ZINC000218000616 568474550 /nfs/dbraw/zinc/47/45/50/568474550.db2.gz NMFUVJKLCPNFQY-HSZRJFAPSA-N 0 0 417.574 6.320 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000218000738 568474555 /nfs/dbraw/zinc/47/45/55/568474555.db2.gz SXICHMSUSYYJCL-QHCPKHFHSA-N 0 0 417.574 6.320 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000218000830 568474568 /nfs/dbraw/zinc/47/45/68/568474568.db2.gz SXICHMSUSYYJCL-HSZRJFAPSA-N 0 0 417.574 6.320 40 70 HKIBRN CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(OC)c(OC)c1 ZINC000218001922 568474532 /nfs/dbraw/zinc/47/45/32/568474532.db2.gz FCBOOXMTDPHYLF-JOCHJYFZSA-N 0 0 421.562 5.877 40 70 HKIBRN CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(OC)c(OC)c1 ZINC000218002006 568474552 /nfs/dbraw/zinc/47/45/52/568474552.db2.gz FCBOOXMTDPHYLF-QFIPXVFZSA-N 0 0 421.562 5.877 40 70 HKIBRN Cc1cccc(-c2noc(CNC(=O)c3ccc(CSc4ccccc4)cc3)n2)c1 ZINC000218002433 568474569 /nfs/dbraw/zinc/47/45/69/568474569.db2.gz IFKDABCTRSWHMQ-UHFFFAOYSA-N 0 0 415.518 5.267 40 70 HKIBRN Cc1ccc(-c2noc(CNC(=O)c3ccc(CSc4ccccc4)cc3)n2)cc1 ZINC000218002557 568474533 /nfs/dbraw/zinc/47/45/33/568474533.db2.gz VQDXSIUOOADJRR-UHFFFAOYSA-N 0 0 415.518 5.267 40 70 HKIBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000218003119 568474559 /nfs/dbraw/zinc/47/45/59/568474559.db2.gz MMRRLKDXUINWAZ-UHFFFAOYSA-N 0 0 415.518 5.301 40 70 HKIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000218003659 568474523 /nfs/dbraw/zinc/47/45/23/568474523.db2.gz BYBKPTHHVXHWFW-UHFFFAOYSA-N 0 0 421.547 5.363 40 70 HKIBRN CC(C)c1ccc(CCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000218003888 568474547 /nfs/dbraw/zinc/47/45/47/568474547.db2.gz JGTKXNANZFFWBC-UHFFFAOYSA-N 0 0 403.591 6.465 40 70 HKIBRN O=C(NCCCN1CCCc2ccccc21)c1ccc(CSc2ccccc2)cc1 ZINC000218004110 568474528 /nfs/dbraw/zinc/47/45/28/568474528.db2.gz SWFRTSPPQGTOOR-UHFFFAOYSA-N 0 0 416.590 5.552 40 70 HKIBRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000218004664 568474542 /nfs/dbraw/zinc/47/45/42/568474542.db2.gz HKQDRTBZKWSXBJ-GOSISDBHSA-N 0 0 409.982 6.740 40 70 HKIBRN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000218004747 568474546 /nfs/dbraw/zinc/47/45/46/568474546.db2.gz HKQDRTBZKWSXBJ-SFHVURJKSA-N 0 0 409.982 6.740 40 70 HKIBRN O=C(NCCCc1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000218005066 568474525 /nfs/dbraw/zinc/47/45/25/568474525.db2.gz LOUVWXCRSBTFGX-UHFFFAOYSA-N 0 0 413.945 6.134 40 70 HKIBRN Cc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000218005684 568474530 /nfs/dbraw/zinc/47/45/30/568474530.db2.gz COZAEJNNYOCCTC-UHFFFAOYSA-N 0 0 411.954 5.750 40 70 HKIBRN CN(CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000218005788 568474544 /nfs/dbraw/zinc/47/45/44/568474544.db2.gz XSGMPSSIUNWZMV-UHFFFAOYSA-N 0 0 410.970 5.499 40 70 HKIBRN Cc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C ZINC000218006719 568474591 /nfs/dbraw/zinc/47/45/91/568474591.db2.gz XZWMWWYDEYEMDT-GOSISDBHSA-N 0 0 409.982 6.740 40 70 HKIBRN Cc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C ZINC000218006800 568474642 /nfs/dbraw/zinc/47/46/42/568474642.db2.gz XZWMWWYDEYEMDT-SFHVURJKSA-N 0 0 409.982 6.740 40 70 HKIBRN CC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)c(C)c1 ZINC000218006894 568474694 /nfs/dbraw/zinc/47/46/94/568474694.db2.gz JYJUZBZDWVOQLD-XMMPIXPASA-N 0 0 424.009 7.130 40 70 HKIBRN CC[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)c(C)c1 ZINC000218006970 568474665 /nfs/dbraw/zinc/47/46/65/568474665.db2.gz JYJUZBZDWVOQLD-DEOSSOPVSA-N 0 0 424.009 7.130 40 70 HKIBRN CC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)cc1C ZINC000218007063 568474688 /nfs/dbraw/zinc/47/46/88/568474688.db2.gz JGJNXWSJXJMFHD-XMMPIXPASA-N 0 0 424.009 7.130 40 70 HKIBRN CC[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)cc1C ZINC000218007136 568474621 /nfs/dbraw/zinc/47/46/21/568474621.db2.gz JGJNXWSJXJMFHD-DEOSSOPVSA-N 0 0 424.009 7.130 40 70 HKIBRN CN(CCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000218007486 568474685 /nfs/dbraw/zinc/47/46/85/568474685.db2.gz BZVBHFPHSZWGBS-UHFFFAOYSA-N 0 0 424.997 5.889 40 70 HKIBRN COc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 ZINC000218007551 569281617 /nfs/dbraw/zinc/28/16/17/569281617.db2.gz RKOADMDDNFMPSV-UHFFFAOYSA-N 0 0 405.517 5.486 40 70 HKIBRN COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br ZINC000218015613 569281575 /nfs/dbraw/zinc/28/15/75/569281575.db2.gz KRKSXEITRQEEBJ-UHFFFAOYSA-N 0 0 405.517 5.486 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1Cl)CC(C)(C)O2 ZINC000218030824 568474618 /nfs/dbraw/zinc/47/46/18/568474618.db2.gz RWJWDGVURHEEFR-SFHVURJKSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1Cl)CC(C)(C)O2 ZINC000218030908 568474686 /nfs/dbraw/zinc/47/46/86/568474686.db2.gz RWJWDGVURHEEFR-GOSISDBHSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1Cl ZINC000218031008 568474628 /nfs/dbraw/zinc/47/46/28/568474628.db2.gz MTZNPGNNIQEDEE-SFHVURJKSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1Cl ZINC000218031094 568474651 /nfs/dbraw/zinc/47/46/51/568474651.db2.gz MTZNPGNNIQEDEE-GOSISDBHSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1cccc(Cl)c1)CC(C)(C)O2 ZINC000218037746 568474733 /nfs/dbraw/zinc/47/47/33/568474733.db2.gz GSYLNNQNCGOCLY-SFHVURJKSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1cccc(Cl)c1)CC(C)(C)O2 ZINC000218037797 568474713 /nfs/dbraw/zinc/47/47/13/568474713.db2.gz GSYLNNQNCGOCLY-GOSISDBHSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1cccc(Cl)c1 ZINC000218037898 568474787 /nfs/dbraw/zinc/47/47/87/568474787.db2.gz INVHOWSSVWJPED-SFHVURJKSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1cccc(Cl)c1 ZINC000218037982 568474722 /nfs/dbraw/zinc/47/47/22/568474722.db2.gz INVHOWSSVWJPED-GOSISDBHSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218044111 568474880 /nfs/dbraw/zinc/47/48/80/568474880.db2.gz WICRNONOJIAQFZ-SFHVURJKSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218044183 568474802 /nfs/dbraw/zinc/47/48/02/568474802.db2.gz WICRNONOJIAQFZ-GOSISDBHSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1 ZINC000218044290 568474929 /nfs/dbraw/zinc/47/49/29/568474929.db2.gz LTZLODVYCJGCGI-SFHVURJKSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1 ZINC000218044362 568474925 /nfs/dbraw/zinc/47/49/25/568474925.db2.gz LTZLODVYCJGCGI-GOSISDBHSA-N 0 0 405.947 5.000 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)CCSc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218089274 568474959 /nfs/dbraw/zinc/47/49/59/568474959.db2.gz FNDJLRKFQHRSFZ-SFHVURJKSA-N 0 0 405.947 5.249 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)CCSc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000218089349 568475126 /nfs/dbraw/zinc/47/51/26/568475126.db2.gz FNDJLRKFQHRSFZ-GOSISDBHSA-N 0 0 405.947 5.249 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSc1ccc(Cl)cc1 ZINC000218089448 568475164 /nfs/dbraw/zinc/47/51/64/568475164.db2.gz XSYXJAVCTUQZOO-SFHVURJKSA-N 0 0 405.947 5.249 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSc1ccc(Cl)cc1 ZINC000218089530 568475138 /nfs/dbraw/zinc/47/51/38/568475138.db2.gz XSYXJAVCTUQZOO-GOSISDBHSA-N 0 0 405.947 5.249 40 70 HKIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCSc1ccc(Cl)cc1 ZINC000218091829 568475179 /nfs/dbraw/zinc/47/51/79/568475179.db2.gz MKMKJZVOXUCPLM-UHFFFAOYSA-N 0 0 422.337 5.184 40 70 HKIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCSc1ccc(Cl)cc1 ZINC000218091928 568475166 /nfs/dbraw/zinc/47/51/66/568475166.db2.gz JAMIVTQKTQARDF-UHFFFAOYSA-N 0 0 422.337 5.184 40 70 HKIBRN O=C(Nc1ccc(CSc2ccccc2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000218098541 568475183 /nfs/dbraw/zinc/47/51/83/568475183.db2.gz OWEJHIGTBUMNCH-XIEYBQDHSA-N 0 0 411.526 6.751 40 70 HKIBRN O=C(NCCSCc1c(F)cccc1Cl)/C(=C/c1ccco1)c1ccccc1 ZINC000218099884 568475110 /nfs/dbraw/zinc/47/51/10/568475110.db2.gz ZYLVCCXEVPQBLW-NBVRZTHBSA-N 0 0 415.917 5.662 40 70 HKIBRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000218100600 568475156 /nfs/dbraw/zinc/47/51/56/568475156.db2.gz JGNPYYUHBGTDBB-PTGBLXJZSA-N 0 0 414.505 5.521 40 70 HKIBRN O=C(Nc1ccccc1C(=O)NCc1ccccc1)/C(=C/c1ccco1)c1ccccc1 ZINC000218100817 568475144 /nfs/dbraw/zinc/47/51/44/568475144.db2.gz UKHNJGVNERIUEH-HKOYGPOVSA-N 0 0 422.484 5.389 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)CC(C)(C)O2 ZINC000218105258 568475100 /nfs/dbraw/zinc/47/51/00/568475100.db2.gz TVRAQSPHWGYADT-QDUHJBTASA-N 0 0 403.478 5.247 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)/C(=C/c1ccco1)c1ccccc1)CC(C)(C)O2 ZINC000218105330 568475173 /nfs/dbraw/zinc/47/51/73/568475173.db2.gz TVRAQSPHWGYADT-GFCAVMEOSA-N 0 0 403.478 5.247 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000218105460 568475114 /nfs/dbraw/zinc/47/51/14/568475114.db2.gz ULRHXKDNLJSEEU-AMUNLKFJSA-N 0 0 403.478 5.247 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000218105540 568475142 /nfs/dbraw/zinc/47/51/42/568475142.db2.gz ULRHXKDNLJSEEU-QJUACMODSA-N 0 0 403.478 5.247 40 70 HKIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000218108235 568475119 /nfs/dbraw/zinc/47/51/19/568475119.db2.gz CXMJHFYNERZQPI-XMHGGMMESA-N 0 0 419.868 5.182 40 70 HKIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000218108358 568475148 /nfs/dbraw/zinc/47/51/48/568475148.db2.gz KUQXEYSCCLDMJP-XSFVSMFZSA-N 0 0 419.868 5.182 40 70 HKIBRN O=C(CSCc1c(Cl)cccc1Cl)NCCCc1ccccc1Cl ZINC000218153081 568475905 /nfs/dbraw/zinc/47/59/05/568475905.db2.gz QCQVCTAGUBWGQP-UHFFFAOYSA-N 0 0 402.774 5.629 40 70 HKIBRN O=C(CSCc1c(Cl)cccc1Cl)NCCCc1ccc(Cl)cc1 ZINC000218153195 568475926 /nfs/dbraw/zinc/47/59/26/568475926.db2.gz FACHVZPNYJAKBQ-UHFFFAOYSA-N 0 0 402.774 5.629 40 70 HKIBRN O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(OC2CCCC2)cc1 ZINC000218154394 568475886 /nfs/dbraw/zinc/47/58/86/568475886.db2.gz GLYAOFGFKUYPFE-UHFFFAOYSA-N 0 0 410.366 6.187 40 70 HKIBRN CC1(C)C[C@@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2O1 ZINC000218154534 568475946 /nfs/dbraw/zinc/47/59/46/568475946.db2.gz GNXKYNYIUZCSMG-QGZVFWFLSA-N 0 0 410.366 5.645 40 70 HKIBRN CC1(C)C[C@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2O1 ZINC000218154618 568475911 /nfs/dbraw/zinc/47/59/11/568475911.db2.gz GNXKYNYIUZCSMG-KRWDZBQOSA-N 0 0 410.366 5.645 40 70 HKIBRN CCOc1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000218154723 568475951 /nfs/dbraw/zinc/47/59/51/568475951.db2.gz OWNXBRUXAULGCK-UHFFFAOYSA-N 0 0 412.382 5.374 40 70 HKIBRN Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)CC(C)(C)O2 ZINC000218155379 568475939 /nfs/dbraw/zinc/47/59/39/568475939.db2.gz REFBRNXJNSKRLS-SFHVURJKSA-N 0 0 424.393 5.954 40 70 HKIBRN Cc1ccc2c(c1)[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)CC(C)(C)O2 ZINC000218155452 568475902 /nfs/dbraw/zinc/47/59/02/568475902.db2.gz REFBRNXJNSKRLS-GOSISDBHSA-N 0 0 424.393 5.954 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1c(Cl)cccc1Cl ZINC000218155558 568475921 /nfs/dbraw/zinc/47/59/21/568475921.db2.gz LZYFAJSVCDTYFO-SFHVURJKSA-N 0 0 424.393 5.954 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1c(Cl)cccc1Cl ZINC000218155630 568475853 /nfs/dbraw/zinc/47/58/53/568475853.db2.gz LZYFAJSVCDTYFO-GOSISDBHSA-N 0 0 424.393 5.954 40 70 HKIBRN CC(C)c1ccc(CCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000218157910 568475944 /nfs/dbraw/zinc/47/59/44/568475944.db2.gz WVSSEPDRMVDVGM-UHFFFAOYSA-N 0 0 410.410 6.099 40 70 HKIBRN O=C(CSCc1c(Cl)cccc1Cl)NCCCN1CCCc2ccccc21 ZINC000218158099 568475949 /nfs/dbraw/zinc/47/59/49/568475949.db2.gz HNOXGDQZWGBVRZ-UHFFFAOYSA-N 0 0 423.409 5.186 40 70 HKIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000218167123 568476027 /nfs/dbraw/zinc/47/60/27/568476027.db2.gz BEEFWHULTVRELA-UHFFFAOYSA-N 0 0 403.869 5.329 40 70 HKIBRN O=C(CSCc1ccc(Br)cc1)NCCCc1ccccc1Cl ZINC000218195251 568476124 /nfs/dbraw/zinc/47/61/24/568476124.db2.gz YYKCSQHJMFJYQZ-UHFFFAOYSA-N 0 0 412.780 5.085 40 70 HKIBRN O=C(CSCc1ccc(Br)cc1)NCCCc1ccc(Cl)cc1 ZINC000218195349 568476187 /nfs/dbraw/zinc/47/61/87/568476187.db2.gz MVSQZSKIKNEKFG-UHFFFAOYSA-N 0 0 412.780 5.085 40 70 HKIBRN O=C(CSCc1ccc(Br)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000218196458 568476236 /nfs/dbraw/zinc/47/62/36/568476236.db2.gz ZKTLLEOXFGLOHK-UHFFFAOYSA-N 0 0 420.372 5.642 40 70 HKIBRN CC1(C)C[C@@H](NC(=O)CSCc2ccc(Br)cc2)c2ccccc2O1 ZINC000218196647 568476213 /nfs/dbraw/zinc/47/62/13/568476213.db2.gz ZTTLITOUGTVWLI-QGZVFWFLSA-N 0 0 420.372 5.101 40 70 HKIBRN CC1(C)C[C@H](NC(=O)CSCc2ccc(Br)cc2)c2ccccc2O1 ZINC000218196718 568476296 /nfs/dbraw/zinc/47/62/96/568476296.db2.gz ZTTLITOUGTVWLI-KRWDZBQOSA-N 0 0 420.372 5.101 40 70 HKIBRN CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C)c(C)c1 ZINC000218198125 568476266 /nfs/dbraw/zinc/47/62/66/568476266.db2.gz ARCSKMIMBNYJON-LJQANCHMSA-N 0 0 406.389 5.567 40 70 HKIBRN CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C)c(C)c1 ZINC000218198204 568476324 /nfs/dbraw/zinc/47/63/24/568476324.db2.gz ARCSKMIMBNYJON-IBGZPJMESA-N 0 0 406.389 5.567 40 70 HKIBRN CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C)cc1C ZINC000218198313 568476229 /nfs/dbraw/zinc/47/62/29/568476229.db2.gz PVMJOJMIPVLQHK-LJQANCHMSA-N 0 0 406.389 5.567 40 70 HKIBRN CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C)cc1C ZINC000218198381 568476276 /nfs/dbraw/zinc/47/62/76/568476276.db2.gz PVMJOJMIPVLQHK-IBGZPJMESA-N 0 0 406.389 5.567 40 70 HKIBRN CC(C)c1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000218199594 568476211 /nfs/dbraw/zinc/47/62/11/568476211.db2.gz WGIVEGAJLGQFBS-UHFFFAOYSA-N 0 0 420.416 5.555 40 70 HKIBRN O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)c1ccccc1 ZINC000218201628 568476278 /nfs/dbraw/zinc/47/62/78/568476278.db2.gz OLQCJCVCBTVJJC-UHFFFAOYSA-N 0 0 413.901 5.582 40 70 HKIBRN CC(C)Oc1cccc(CCCNC(=O)CSCc2c(F)cccc2Cl)c1 ZINC000218201733 568476271 /nfs/dbraw/zinc/47/62/71/568476271.db2.gz MUMRMGFIKQMFDU-UHFFFAOYSA-N 0 0 409.954 5.249 40 70 HKIBRN CC(C)Oc1ccc(CCCNC(=O)CSCc2c(F)cccc2Cl)cc1 ZINC000218201828 568476280 /nfs/dbraw/zinc/47/62/80/568476280.db2.gz LJJZWUNNSFOHGP-UHFFFAOYSA-N 0 0 409.954 5.249 40 70 HKIBRN CCCOc1ccccc1CCCNC(=O)CSCc1c(F)cccc1Cl ZINC000218202531 568476274 /nfs/dbraw/zinc/47/62/74/568476274.db2.gz LOYRDQYREGMYRK-UHFFFAOYSA-N 0 0 409.954 5.250 40 70 HKIBRN Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1c(F)cccc1Cl)CC(C)(C)O2 ZINC000218203461 568476264 /nfs/dbraw/zinc/47/62/64/568476264.db2.gz TZHYEDFPYMOYEF-SFHVURJKSA-N 0 0 407.938 5.439 40 70 HKIBRN Cc1ccc2c(c1)[C@H](NC(=O)CSCc1c(F)cccc1Cl)CC(C)(C)O2 ZINC000218203542 568476294 /nfs/dbraw/zinc/47/62/94/568476294.db2.gz TZHYEDFPYMOYEF-GOSISDBHSA-N 0 0 407.938 5.439 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1c(F)cccc1Cl ZINC000218203674 568476259 /nfs/dbraw/zinc/47/62/59/568476259.db2.gz FGJKMVJAYDBVRF-SFHVURJKSA-N 0 0 407.938 5.439 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1c(F)cccc1Cl ZINC000218203765 568476397 /nfs/dbraw/zinc/47/63/97/568476397.db2.gz FGJKMVJAYDBVRF-GOSISDBHSA-N 0 0 407.938 5.439 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)CSCc1c(F)cccc1Cl)CC(C)(C)O2 ZINC000218203886 568476430 /nfs/dbraw/zinc/47/64/30/568476430.db2.gz WPOMDPVIJRCTKF-SFHVURJKSA-N 0 0 423.937 5.140 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)CSCc1c(F)cccc1Cl)CC(C)(C)O2 ZINC000218203964 568476380 /nfs/dbraw/zinc/47/63/80/568476380.db2.gz WPOMDPVIJRCTKF-GOSISDBHSA-N 0 0 423.937 5.140 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1c(F)cccc1Cl ZINC000218204085 568476370 /nfs/dbraw/zinc/47/63/70/568476370.db2.gz RHTHAJKLIXEYFU-SFHVURJKSA-N 0 0 423.937 5.140 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1c(F)cccc1Cl ZINC000218204157 568476393 /nfs/dbraw/zinc/47/63/93/568476393.db2.gz RHTHAJKLIXEYFU-GOSISDBHSA-N 0 0 423.937 5.140 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)NCc3cccc(OC(C)C)c3)cc2)cc1 ZINC000218206724 568476365 /nfs/dbraw/zinc/47/63/65/568476365.db2.gz IBVWIKYHUXMRIH-UHFFFAOYSA-N 0 0 405.563 6.005 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)cc1 ZINC000218207316 568476354 /nfs/dbraw/zinc/47/63/54/568476354.db2.gz RLNWZIKYOIBBMZ-UHFFFAOYSA-N 0 0 409.982 6.303 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)cc1 ZINC000218207403 568476356 /nfs/dbraw/zinc/47/63/56/568476356.db2.gz CTOVCOGSVPZXHT-UHFFFAOYSA-N 0 0 409.982 6.303 40 70 HKIBRN COc1ccccc1CCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000218207616 568476388 /nfs/dbraw/zinc/47/63/88/568476388.db2.gz MEGLGZDVSXEVNE-UHFFFAOYSA-N 0 0 405.563 5.659 40 70 HKIBRN COc1cccc(CCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 ZINC000218207704 568476401 /nfs/dbraw/zinc/47/64/01/568476401.db2.gz QVBQJZSKJXDYCA-UHFFFAOYSA-N 0 0 405.563 5.659 40 70 HKIBRN COc1ccc(CCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000218207798 568476358 /nfs/dbraw/zinc/47/63/58/568476358.db2.gz KCIRDQYMCNYOJA-UHFFFAOYSA-N 0 0 405.563 5.659 40 70 HKIBRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000218207892 568476422 /nfs/dbraw/zinc/47/64/22/568476422.db2.gz SKAROJOYIQKQSI-LJQANCHMSA-N 0 0 421.562 5.493 40 70 HKIBRN COc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000218207982 568476413 /nfs/dbraw/zinc/47/64/13/568476413.db2.gz SKAROJOYIQKQSI-IBGZPJMESA-N 0 0 421.562 5.493 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(OC4CCCC4)cc3)cc2)cc1 ZINC000218208631 568476421 /nfs/dbraw/zinc/47/64/21/568476421.db2.gz RVPZMEQSJJWPFN-UHFFFAOYSA-N 0 0 417.574 6.861 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)cc1 ZINC000218208809 568476367 /nfs/dbraw/zinc/47/63/67/568476367.db2.gz RCOJZCJDVYVIBC-HSZRJFAPSA-N 0 0 417.574 6.320 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)cc1 ZINC000218208887 568476360 /nfs/dbraw/zinc/47/63/60/568476360.db2.gz RCOJZCJDVYVIBC-QHCPKHFHSA-N 0 0 417.574 6.320 40 70 HKIBRN CCOc1ccc(CCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000218209010 568476376 /nfs/dbraw/zinc/47/63/76/568476376.db2.gz OFTBNHOUTBFSCN-UHFFFAOYSA-N 0 0 419.590 6.049 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)COc3ccccc3C)cc2)cc1 ZINC000218209317 568476390 /nfs/dbraw/zinc/47/63/90/568476390.db2.gz SBBZCTPURYAFIJ-FQEVSTJZSA-N 0 0 405.563 5.793 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)N[C@H](C)COc3ccccc3C)cc2)cc1 ZINC000218209400 568476423 /nfs/dbraw/zinc/47/64/23/568476423.db2.gz SBBZCTPURYAFIJ-HXUWFJFHSA-N 0 0 405.563 5.793 40 70 HKIBRN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000218209505 568476387 /nfs/dbraw/zinc/47/63/87/568476387.db2.gz WPNNXCWNCVHNNM-HXUWFJFHSA-N 0 0 405.563 5.793 40 70 HKIBRN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 ZINC000218209583 568476382 /nfs/dbraw/zinc/47/63/82/568476382.db2.gz WPNNXCWNCVHNNM-FQEVSTJZSA-N 0 0 405.563 5.793 40 70 HKIBRN CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(C)c(C)c1 ZINC000218210624 568476371 /nfs/dbraw/zinc/47/63/71/568476371.db2.gz AIDOSNCQVHCAGK-RUZDIDTESA-N 0 0 403.591 6.785 40 70 HKIBRN CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(C)c(C)c1 ZINC000218210683 568476357 /nfs/dbraw/zinc/47/63/57/568476357.db2.gz AIDOSNCQVHCAGK-VWLOTQADSA-N 0 0 403.591 6.785 40 70 HKIBRN CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(C)cc1C ZINC000218210799 568476366 /nfs/dbraw/zinc/47/63/66/568476366.db2.gz KCLBXJWKKKLHFF-RUZDIDTESA-N 0 0 403.591 6.785 40 70 HKIBRN CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(C)cc1C ZINC000218210860 568476375 /nfs/dbraw/zinc/47/63/75/568476375.db2.gz KCLBXJWKKKLHFF-VWLOTQADSA-N 0 0 403.591 6.785 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2)cc1 ZINC000218211145 568476415 /nfs/dbraw/zinc/47/64/15/568476415.db2.gz YCEOLVKSWRHDPW-UHFFFAOYSA-N 0 0 415.518 5.267 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)NCc3nc(-c4cccs4)no3)cc2)cc1 ZINC000218211701 568476425 /nfs/dbraw/zinc/47/64/25/568476425.db2.gz AATXJWLKNBTOGZ-UHFFFAOYSA-N 0 0 421.547 5.329 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)NCCCc3ccc(C(C)C)cc3)cc2)cc1 ZINC000218212240 568476479 /nfs/dbraw/zinc/47/64/79/568476479.db2.gz WFNRECIDHNEIEN-UHFFFAOYSA-N 0 0 417.618 6.773 40 70 HKIBRN Cc1ccc(SCc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)cc1 ZINC000218212341 568476516 /nfs/dbraw/zinc/47/65/16/568476516.db2.gz IHNKLXBPGCLIML-UHFFFAOYSA-N 0 0 404.579 5.544 40 70 HKIBRN O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000218220109 568476481 /nfs/dbraw/zinc/47/64/81/568476481.db2.gz FVUXRAUXUQZVIT-UHFFFAOYSA-N 0 0 419.171 5.419 40 70 HKIBRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1Br ZINC000218220217 568476513 /nfs/dbraw/zinc/47/65/13/568476513.db2.gz KUNPOFHOPIWERG-UHFFFAOYSA-N 0 0 419.171 5.419 40 70 HKIBRN O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1Br ZINC000218220548 568476488 /nfs/dbraw/zinc/47/64/88/568476488.db2.gz BSXLRPLKAKJHHE-UHFFFAOYSA-N 0 0 419.171 5.419 40 70 HKIBRN CCCCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC000218286323 568837386 /nfs/dbraw/zinc/83/73/86/568837386.db2.gz LDGXUCIUVWACQA-KRWDZBQOSA-N 0 0 406.567 6.440 40 70 HKIBRN CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC000218286389 568837448 /nfs/dbraw/zinc/83/74/48/568837448.db2.gz LDGXUCIUVWACQA-QGZVFWFLSA-N 0 0 406.567 6.440 40 70 HKIBRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cc2c(ccc3ccccc23)o1 ZINC000218495256 568480941 /nfs/dbraw/zinc/48/09/41/568480941.db2.gz WRZVBQPWOFDNGM-UHFFFAOYSA-N 0 0 412.489 5.855 40 70 HKIBRN O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1cc2c(ccc3ccccc23)o1 ZINC000218495374 568481012 /nfs/dbraw/zinc/48/10/12/568481012.db2.gz JZFGCTXAFTUITK-UHFFFAOYSA-N 0 0 421.456 5.163 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)c1cc3c(ccc4ccccc34)o1)CC(C)(C)O2 ZINC000218499403 568481150 /nfs/dbraw/zinc/48/11/50/568481150.db2.gz SBOMWJWYXUYFBI-FQEVSTJZSA-N 0 0 401.462 5.627 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)c1cc3c(ccc4ccccc34)o1)CC(C)(C)O2 ZINC000218499493 568481100 /nfs/dbraw/zinc/48/11/00/568481100.db2.gz SBOMWJWYXUYFBI-HXUWFJFHSA-N 0 0 401.462 5.627 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000218499599 568481154 /nfs/dbraw/zinc/48/11/54/568481154.db2.gz PFCCAALIJDCIOV-FQEVSTJZSA-N 0 0 401.462 5.627 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000218499686 568481132 /nfs/dbraw/zinc/48/11/32/568481132.db2.gz PFCCAALIJDCIOV-HXUWFJFHSA-N 0 0 401.462 5.627 40 70 HKIBRN O=C(NCc1nc(-c2ccccc2Cl)no1)c1cc2c(ccc3ccccc23)o1 ZINC000218501275 568481058 /nfs/dbraw/zinc/48/10/58/568481058.db2.gz CWRUMGOPNUCTKP-UHFFFAOYSA-N 0 0 403.825 5.219 40 70 HKIBRN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc2c(ccc3ccccc23)o1 ZINC000218501351 568481066 /nfs/dbraw/zinc/48/10/66/568481066.db2.gz GZXLXMYJZWHCMA-UHFFFAOYSA-N 0 0 403.825 5.219 40 70 HKIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000218502285 568481138 /nfs/dbraw/zinc/48/11/38/568481138.db2.gz NRMJRRRJGUAZQC-UHFFFAOYSA-N 0 0 417.852 5.562 40 70 HKIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000218502382 568481121 /nfs/dbraw/zinc/48/11/21/568481121.db2.gz GMUOBGDFKXFITF-UHFFFAOYSA-N 0 0 417.852 5.562 40 70 HKIBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cc2c(ccc3ccccc23)o1 ZINC000218502582 568481057 /nfs/dbraw/zinc/48/10/57/568481057.db2.gz CKFPTTDGWPNHJX-UHFFFAOYSA-N 0 0 403.463 5.360 40 70 HKIBRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000218543771 568481632 /nfs/dbraw/zinc/48/16/32/568481632.db2.gz ISRBKTRVNIPWAK-UHFFFAOYSA-N 0 0 411.933 5.279 40 70 HKIBRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000218543894 568481611 /nfs/dbraw/zinc/48/16/11/568481611.db2.gz WMWODJXJMLCWSD-UHFFFAOYSA-N 0 0 411.933 5.279 40 70 HKIBRN CCOc1ccc(CNC(=O)c2ccccc2SCc2ccccc2)cc1OCC ZINC000218604369 568482392 /nfs/dbraw/zinc/48/23/92/568482392.db2.gz BHESFRCYWNNUBG-UHFFFAOYSA-N 0 0 421.562 5.706 40 70 HKIBRN COc1cc(CNC(=O)c2ccccc2SCc2ccccc2)ccc1OC(C)C ZINC000218604492 568482363 /nfs/dbraw/zinc/48/23/63/568482363.db2.gz CXCBJINUDPJCIO-UHFFFAOYSA-N 0 0 421.562 5.705 40 70 HKIBRN COc1ccc(OC[C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000218605459 568482419 /nfs/dbraw/zinc/48/24/19/568482419.db2.gz GQPQXCLQTAQLMQ-GOSISDBHSA-N 0 0 407.535 5.185 40 70 HKIBRN COc1ccc(OC[C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000218605521 568482397 /nfs/dbraw/zinc/48/23/97/568482397.db2.gz GQPQXCLQTAQLMQ-SFHVURJKSA-N 0 0 407.535 5.185 40 70 HKIBRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1SCc1ccccc1 ZINC000218605730 568482402 /nfs/dbraw/zinc/48/24/02/568482402.db2.gz KUHTXDABQBDXDU-UHFFFAOYSA-N 0 0 423.537 6.462 40 70 HKIBRN CC(C)Oc1cccc(CCCNC(=O)c2ccccc2SCc2ccccc2)c1 ZINC000218605822 568482356 /nfs/dbraw/zinc/48/23/56/568482356.db2.gz CKBZCPUYKHDKQV-UHFFFAOYSA-N 0 0 419.590 6.129 40 70 HKIBRN CC(C)Oc1ccc(CCCNC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000218605936 568482364 /nfs/dbraw/zinc/48/23/64/568482364.db2.gz FFCOTNPYSUIWAF-UHFFFAOYSA-N 0 0 419.590 6.129 40 70 HKIBRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccccc1SCc1ccccc1 ZINC000218606177 568482413 /nfs/dbraw/zinc/48/24/13/568482413.db2.gz DKVOLGDCZYSVMO-UHFFFAOYSA-N 0 0 403.547 6.553 40 70 HKIBRN CC1(C)C[C@@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2O1 ZINC000218606289 568482351 /nfs/dbraw/zinc/48/23/51/568482351.db2.gz IKGAGWRXPHLYIW-OAQYLSRUSA-N 0 0 403.547 6.011 40 70 HKIBRN CC1(C)C[C@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2O1 ZINC000218606361 568482415 /nfs/dbraw/zinc/48/24/15/568482415.db2.gz IKGAGWRXPHLYIW-NRFANRHFSA-N 0 0 403.547 6.011 40 70 HKIBRN CCOc1ccc(CCCNC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000218606472 568482412 /nfs/dbraw/zinc/48/24/12/568482412.db2.gz PBBXFXJTJGANNE-UHFFFAOYSA-N 0 0 405.563 5.740 40 70 HKIBRN CCCOc1ccccc1CCCNC(=O)c1ccccc1SCc1ccccc1 ZINC000218606596 568482368 /nfs/dbraw/zinc/48/23/68/568482368.db2.gz YAAFJCQMSBECOT-UHFFFAOYSA-N 0 0 419.590 6.130 40 70 HKIBRN COc1ccc(CCCNC(=O)c2ccccc2SCc2ccccc2)cc1OC ZINC000218606710 568482376 /nfs/dbraw/zinc/48/23/76/568482376.db2.gz LKOMJLRAYFYVAU-UHFFFAOYSA-N 0 0 421.562 5.359 40 70 HKIBRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1SCc1ccccc1)CC(C)(C)O2 ZINC000218607510 568482379 /nfs/dbraw/zinc/48/23/79/568482379.db2.gz AYKXCRZNCNMSGG-QFIPXVFZSA-N 0 0 417.574 6.320 40 70 HKIBRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1SCc1ccccc1)CC(C)(C)O2 ZINC000218607592 568482386 /nfs/dbraw/zinc/48/23/86/568482386.db2.gz AYKXCRZNCNMSGG-JOCHJYFZSA-N 0 0 417.574 6.320 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1SCc1ccccc1 ZINC000218607705 568482405 /nfs/dbraw/zinc/48/24/05/568482405.db2.gz ALUBFJONECMMSZ-QFIPXVFZSA-N 0 0 417.574 6.320 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1SCc1ccccc1 ZINC000218607780 568482409 /nfs/dbraw/zinc/48/24/09/568482409.db2.gz ALUBFJONECMMSZ-JOCHJYFZSA-N 0 0 417.574 6.320 40 70 HKIBRN CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000218608806 568482369 /nfs/dbraw/zinc/48/23/69/568482369.db2.gz JFYFCGBEMWDCNT-OAQYLSRUSA-N 0 0 421.562 5.877 40 70 HKIBRN CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000218608886 568482367 /nfs/dbraw/zinc/48/23/67/568482367.db2.gz JFYFCGBEMWDCNT-NRFANRHFSA-N 0 0 421.562 5.877 40 70 HKIBRN O=C(NCc1nc(-c2cccs2)no1)c1ccccc1SCc1ccccc1 ZINC000218609396 568482385 /nfs/dbraw/zinc/48/23/85/568482385.db2.gz VQEAZWYQNVCEEP-UHFFFAOYSA-N 0 0 407.520 5.020 40 70 HKIBRN CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1SCc1ccccc1 ZINC000218609714 568482509 /nfs/dbraw/zinc/48/25/09/568482509.db2.gz NVIIDAKEQJIZAQ-UHFFFAOYSA-N 0 0 421.547 5.363 40 70 HKIBRN CC(C)c1ccc(CCCNC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000218609949 568482519 /nfs/dbraw/zinc/48/25/19/568482519.db2.gz OFWHLXOBGVXMDE-UHFFFAOYSA-N 0 0 403.591 6.465 40 70 HKIBRN O=C(NCCCN1CCCc2ccccc21)c1ccccc1SCc1ccccc1 ZINC000218610181 568482489 /nfs/dbraw/zinc/48/24/89/568482489.db2.gz VKKWFJUVIGGBPX-UHFFFAOYSA-N 0 0 416.590 5.552 40 70 HKIBRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000218664262 568482813 /nfs/dbraw/zinc/48/28/13/568482813.db2.gz QWSGXAYGMDKFSY-GOSISDBHSA-N 0 0 401.506 5.621 40 70 HKIBRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000218664324 568482797 /nfs/dbraw/zinc/48/27/97/568482797.db2.gz QWSGXAYGMDKFSY-SFHVURJKSA-N 0 0 401.506 5.621 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2 ZINC000218667984 568482802 /nfs/dbraw/zinc/48/28/02/568482802.db2.gz PFLDCRVPVQMTAN-IERDGZPVSA-N 0 0 411.542 5.179 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2 ZINC000218668051 568482798 /nfs/dbraw/zinc/48/27/98/568482798.db2.gz PFLDCRVPVQMTAN-IIBYNOLFSA-N 0 0 411.542 5.179 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2 ZINC000218668129 568482799 /nfs/dbraw/zinc/48/27/99/568482799.db2.gz PFLDCRVPVQMTAN-KKSFZXQISA-N 0 0 411.542 5.179 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)CC(C)(C)O2 ZINC000218668205 568482806 /nfs/dbraw/zinc/48/28/06/568482806.db2.gz PFLDCRVPVQMTAN-HRAATJIYSA-N 0 0 411.542 5.179 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000218668317 568482812 /nfs/dbraw/zinc/48/28/12/568482812.db2.gz GTBYTCOPGYLMTP-IERDGZPVSA-N 0 0 411.542 5.179 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000218668387 568482792 /nfs/dbraw/zinc/48/27/92/568482792.db2.gz GTBYTCOPGYLMTP-IIBYNOLFSA-N 0 0 411.542 5.179 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000218668468 568482766 /nfs/dbraw/zinc/48/27/66/568482766.db2.gz GTBYTCOPGYLMTP-KKSFZXQISA-N 0 0 411.542 5.179 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000218668537 568482796 /nfs/dbraw/zinc/48/27/96/568482796.db2.gz GTBYTCOPGYLMTP-HRAATJIYSA-N 0 0 411.542 5.179 40 70 HKIBRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc(C)c1Cl ZINC000218710679 568482988 /nfs/dbraw/zinc/48/29/88/568482988.db2.gz QMEICJHDIJJYME-KRWDZBQOSA-N 0 0 407.897 5.594 40 70 HKIBRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)cc(C)c1Cl ZINC000218710744 568483036 /nfs/dbraw/zinc/48/30/36/568483036.db2.gz QMEICJHDIJJYME-QGZVFWFLSA-N 0 0 407.897 5.594 40 70 HKIBRN Cc1cc(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)cc(C)c1Cl ZINC000218710823 568482984 /nfs/dbraw/zinc/48/29/84/568482984.db2.gz YUXQGSABINRQRC-SFHVURJKSA-N 0 0 403.950 5.260 40 70 HKIBRN Cc1cc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)cc(C)c1Cl ZINC000218710921 568483025 /nfs/dbraw/zinc/48/30/25/568483025.db2.gz YUXQGSABINRQRC-GOSISDBHSA-N 0 0 403.950 5.260 40 70 HKIBRN Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc(C)c1Cl ZINC000218711027 568482971 /nfs/dbraw/zinc/48/29/71/568482971.db2.gz RDJAVJQJOVPJPC-SFHVURJKSA-N 0 0 403.950 5.260 40 70 HKIBRN Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc(C)c1Cl ZINC000218711108 568483032 /nfs/dbraw/zinc/48/30/32/568483032.db2.gz RDJAVJQJOVPJPC-GOSISDBHSA-N 0 0 403.950 5.260 40 70 HKIBRN CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218712243 568483011 /nfs/dbraw/zinc/48/30/11/568483011.db2.gz PITQIIIFXWHPPG-GOSISDBHSA-N 0 0 403.950 5.262 40 70 HKIBRN CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218712325 568482990 /nfs/dbraw/zinc/48/29/90/568482990.db2.gz PITQIIIFXWHPPG-SFHVURJKSA-N 0 0 403.950 5.262 40 70 HKIBRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 ZINC000218713968 568483015 /nfs/dbraw/zinc/48/30/15/568483015.db2.gz PRVRPRFTVOSRRL-APWZRJJASA-N 0 0 401.934 5.451 40 70 HKIBRN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 ZINC000218714039 568482992 /nfs/dbraw/zinc/48/29/92/568482992.db2.gz PRVRPRFTVOSRRL-VQIMIIECSA-N 0 0 401.934 5.451 40 70 HKIBRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 ZINC000218714115 568483004 /nfs/dbraw/zinc/48/30/04/568483004.db2.gz PRVRPRFTVOSRRL-LPHOPBHVSA-N 0 0 401.934 5.451 40 70 HKIBRN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 ZINC000218714191 568483046 /nfs/dbraw/zinc/48/30/46/568483046.db2.gz PRVRPRFTVOSRRL-QFBILLFUSA-N 0 0 401.934 5.451 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218714292 568483034 /nfs/dbraw/zinc/48/30/34/568483034.db2.gz KLNJHXVTTPYSAZ-APWZRJJASA-N 0 0 401.934 5.451 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218714368 568483007 /nfs/dbraw/zinc/48/30/07/568483007.db2.gz KLNJHXVTTPYSAZ-VQIMIIECSA-N 0 0 401.934 5.451 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218714442 568482951 /nfs/dbraw/zinc/48/29/51/568482951.db2.gz KLNJHXVTTPYSAZ-LPHOPBHVSA-N 0 0 401.934 5.451 40 70 HKIBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218714524 568483044 /nfs/dbraw/zinc/48/30/44/568483044.db2.gz KLNJHXVTTPYSAZ-QFBILLFUSA-N 0 0 401.934 5.451 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 ZINC000218714617 568483002 /nfs/dbraw/zinc/48/30/02/568483002.db2.gz HYULVOXXGXVKKV-BEFAXECRSA-N 0 0 417.933 5.151 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 ZINC000218714675 568482967 /nfs/dbraw/zinc/48/29/67/568482967.db2.gz HYULVOXXGXVKKV-DNVCBOLYSA-N 0 0 417.933 5.151 40 70 HKIBRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 ZINC000218714748 568482956 /nfs/dbraw/zinc/48/29/56/568482956.db2.gz HYULVOXXGXVKKV-KXBFYZLASA-N 0 0 417.933 5.151 40 70 HKIBRN COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 ZINC000218714840 568483018 /nfs/dbraw/zinc/48/30/18/568483018.db2.gz HYULVOXXGXVKKV-HNAYVOBHSA-N 0 0 417.933 5.151 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218714955 568482960 /nfs/dbraw/zinc/48/29/60/568482960.db2.gz YFLNJHCVEIIFPE-BEFAXECRSA-N 0 0 417.933 5.151 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218715029 568482946 /nfs/dbraw/zinc/48/29/46/568482946.db2.gz YFLNJHCVEIIFPE-DNVCBOLYSA-N 0 0 417.933 5.151 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218715128 568482994 /nfs/dbraw/zinc/48/29/94/568482994.db2.gz YFLNJHCVEIIFPE-KXBFYZLASA-N 0 0 417.933 5.151 40 70 HKIBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000218715195 568482980 /nfs/dbraw/zinc/48/29/80/568482980.db2.gz YFLNJHCVEIIFPE-HNAYVOBHSA-N 0 0 417.933 5.151 40 70 HKIBRN CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000218715938 568483023 /nfs/dbraw/zinc/48/30/23/568483023.db2.gz PYJZGFHGFWTTDZ-CRAIPNDOSA-N 0 0 405.922 5.009 40 70 HKIBRN CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000218715998 568483013 /nfs/dbraw/zinc/48/30/13/568483013.db2.gz PYJZGFHGFWTTDZ-QAPCUYQASA-N 0 0 405.922 5.009 40 70 HKIBRN CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000218716062 568482998 /nfs/dbraw/zinc/48/29/98/568482998.db2.gz PYJZGFHGFWTTDZ-MAUKXSAKSA-N 0 0 405.922 5.009 40 70 HKIBRN CC[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(OC)c(OC)c1 ZINC000218716130 568483038 /nfs/dbraw/zinc/48/30/38/568483038.db2.gz PYJZGFHGFWTTDZ-YJBOKZPZSA-N 0 0 405.922 5.009 40 70 HKIBRN