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)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCc3ccncc3)CC2)n1 ZINC000218177588 557181002 /nfs/dbraw/zinc/18/10/02/557181002.db2.gz ZKEWATHZUBVOQK-DEOSSOPVSA-N 0 0 444.583 2.899 50 70 IFIARN COCc1nc(-c2cccc(NC(=O)C[C@H]3OC(=O)c4c3ccc(OC)c4OC)c2)n[nH]1 ZINC000218206572 557182173 /nfs/dbraw/zinc/18/21/73/557182173.db2.gz KGELJGBWBOMQKI-MRXNPFEDSA-N 0 0 438.440 2.876 50 70 IFIARN COc1ccc2cnn(CC(=O)NCCc3nc4ccccc4n3C(C)C)c(=O)c2c1OC ZINC000218248642 557184636 /nfs/dbraw/zinc/18/46/36/557184636.db2.gz CAZSYGQBQSXYMQ-UHFFFAOYSA-N 0 0 449.511 2.703 50 70 IFIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(=O)N2CCNC2=O)c(Cl)c1 ZINC000218318239 557192723 /nfs/dbraw/zinc/19/27/23/557192723.db2.gz CEHBDNKXWRRFPX-KRWDZBQOSA-N 0 0 431.832 2.804 50 70 IFIARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3s2)c1 ZINC000217516824 569447892 /nfs/dbraw/zinc/44/78/92/569447892.db2.gz KRVHYVDTMWWWIA-FQEVSTJZSA-N 0 0 435.523 2.883 50 70 IFIARN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217617169 569450212 /nfs/dbraw/zinc/45/02/12/569450212.db2.gz CDYGGAOSKASPLJ-UHFFFAOYSA-N 0 0 448.854 2.690 50 70 IFIARN NC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cc1 ZINC000217669036 569451236 /nfs/dbraw/zinc/45/12/36/569451236.db2.gz SMQBQEVWGTYBLD-QFIPXVFZSA-N 0 0 426.432 2.539 50 70 IFIARN O=C(c1cncc(Br)c1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217839183 569453946 /nfs/dbraw/zinc/45/39/46/569453946.db2.gz XUJAMBSGVAHKNN-LBPRGKRZSA-N 0 0 429.278 2.779 50 70 IFIARN O=C(c1cncc(Br)c1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217839266 569453962 /nfs/dbraw/zinc/45/39/62/569453962.db2.gz XUJAMBSGVAHKNN-GFCCVEGCSA-N 0 0 429.278 2.779 50 70 IFIARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccnn2C)o1 ZINC000217914514 569454922 /nfs/dbraw/zinc/45/49/22/569454922.db2.gz ZRCBXEDDOFIBQN-QGZVFWFLSA-N 0 0 432.480 2.976 50 70 IFIARN C[C@@](O)(CNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2)c1cc2ccccc2s1 ZINC000217520583 569447865 /nfs/dbraw/zinc/44/78/65/569447865.db2.gz PBFPNGYENAMKAN-XMMPIXPASA-N 0 0 449.532 2.699 50 70 IFIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1ccc2c(c1)OCO2 ZINC000217828137 569453809 /nfs/dbraw/zinc/45/38/09/569453809.db2.gz HZDYXEOLDCYSGX-QHCPKHFHSA-N 0 0 441.443 2.847 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cccnc3)[C@@H]21 ZINC000217897885 569454683 /nfs/dbraw/zinc/45/46/83/569454683.db2.gz DYPBERJLNMWVPH-JOCHJYFZSA-N 0 0 444.447 2.852 50 70 IFIARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)N1CCC(C(N)=O)CC1)COC2=O ZINC000217916272 569454892 /nfs/dbraw/zinc/45/48/92/569454892.db2.gz BLEJNRYIBNPXJU-LHHJGKSTSA-N 0 0 444.528 2.676 50 70 IFIARN COc1cc2c(cc1OC)CN(C(=O)c1c(C)cc(C)n(C[C@@H]3CCCO3)c1=O)CC2 ZINC000217970499 569455464 /nfs/dbraw/zinc/45/54/64/569455464.db2.gz RLGMEZRCKOAVSO-IBGZPJMESA-N 0 0 426.513 2.860 50 70 IFIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000218240607 569456867 /nfs/dbraw/zinc/45/68/67/569456867.db2.gz GCNJGALYGGLTRY-RPVQJOFSSA-N 0 0 439.965 2.700 50 70 IFIARN COCc1nc(-c2cccc(NC(=O)C[C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2)n[nH]1 ZINC000218206513 557182063 /nfs/dbraw/zinc/18/20/63/557182063.db2.gz KGELJGBWBOMQKI-INIZCTEOSA-N 0 0 438.440 2.876 50 70 IFIARN COc1ccccc1CCNC(=O)[C@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N21 ZINC000218537592 557206148 /nfs/dbraw/zinc/20/61/48/557206148.db2.gz UJPMMVKNZFRTRM-IVZQSRNASA-N 0 0 428.510 2.641 50 70 IFIARN COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)C2=O)cc1 ZINC000218558873 557207493 /nfs/dbraw/zinc/20/74/93/557207493.db2.gz NHJCFFFZQILWGN-ICSRJNTNSA-N 0 0 435.484 2.900 50 70 IFIARN CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@H](O)c3ccsc3)cc21 ZINC000217544050 569448441 /nfs/dbraw/zinc/44/84/41/569448441.db2.gz RCLSMDZEWPUHTI-IBGZPJMESA-N 0 0 429.542 2.862 50 70 IFIARN Cc1cc(S(=O)(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c(Cl)cc1Cl ZINC000217616594 569450199 /nfs/dbraw/zinc/45/01/99/569450199.db2.gz ASZLMKKTLJUZFP-UHFFFAOYSA-N 0 0 429.329 2.633 50 70 IFIARN COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217690418 569451702 /nfs/dbraw/zinc/45/17/02/569451702.db2.gz KJNPYHZDWIXWKI-KRWDZBQOSA-N 0 0 429.469 2.798 50 70 IFIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1c[nH]cn1 ZINC000217911498 569454886 /nfs/dbraw/zinc/45/48/86/569454886.db2.gz GLIZUAOGCMHKEY-QFIPXVFZSA-N 0 0 429.480 2.664 50 70 IFIARN COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217937676 569455024 /nfs/dbraw/zinc/45/50/24/569455024.db2.gz HYVDWDCMMLCMOL-INIZCTEOSA-N 0 0 445.468 2.764 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccncc3)[C@H]21 ZINC000217982424 569455582 /nfs/dbraw/zinc/45/55/82/569455582.db2.gz CLLZQXQFTDZUTD-QFIPXVFZSA-N 0 0 444.447 2.852 50 70 IFIARN COC(=O)COc1ccc([C@@H](CC(=O)OC)c2c3[nH]snc-3ccc2=O)cc1OC ZINC000218056711 569456099 /nfs/dbraw/zinc/45/60/99/569456099.db2.gz KJDILBNLQHNOGG-GFCCVEGCSA-N 0 0 432.454 2.652 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccccn3)[C@@H]21 ZINC000218099712 569456285 /nfs/dbraw/zinc/45/62/85/569456285.db2.gz KSVATYFJUYWDPF-JOCHJYFZSA-N 0 0 444.447 2.852 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccccn3)[C@H]21 ZINC000218099621 569456321 /nfs/dbraw/zinc/45/63/21/569456321.db2.gz KSVATYFJUYWDPF-QFIPXVFZSA-N 0 0 444.447 2.852 50 70 IFIARN COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCCC[C@H]3c3cccnc3)C2=O)cc1 ZINC000218096711 569456344 /nfs/dbraw/zinc/45/63/44/569456344.db2.gz BCTPEZZSLINQSH-SFTDATJTSA-N 0 0 436.512 2.697 50 70 IFIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCn3ccc4ccc(F)cc43)C2=O)cc1 ZINC000218606560 557210110 /nfs/dbraw/zinc/21/01/10/557210110.db2.gz UMVDLWZYCXQUOK-IBGZPJMESA-N 0 0 438.459 2.810 50 70 IFIARN C[C@](O)(CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2s1 ZINC000217520470 569447894 /nfs/dbraw/zinc/44/78/94/569447894.db2.gz NBDWQSUHFLLCJT-QHCPKHFHSA-N 0 0 437.521 2.991 50 70 IFIARN CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC[C@@H](O)c3ccsc3)cc21 ZINC000217544134 569448472 /nfs/dbraw/zinc/44/84/72/569448472.db2.gz RCLSMDZEWPUHTI-LJQANCHMSA-N 0 0 429.542 2.862 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCC(C)C)[C@@H]21 ZINC000217594017 569449643 /nfs/dbraw/zinc/44/96/43/569449643.db2.gz SFBZDIRMWLUNCZ-JOCHJYFZSA-N 0 0 437.496 2.981 50 70 IFIARN COc1ccc([C@@H]2CCCN2C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c(OC)c1 ZINC000217865719 569454245 /nfs/dbraw/zinc/45/42/45/569454245.db2.gz QKAMARBHKQRDQI-PMACEKPBSA-N 0 0 437.496 2.898 50 70 IFIARN O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1c[nH]cn1 ZINC000217911425 569454869 /nfs/dbraw/zinc/45/48/69/569454869.db2.gz GLIZUAOGCMHKEY-JOCHJYFZSA-N 0 0 429.480 2.664 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)Nc3ccc(NC(C)=O)cc3)CS[C@@H]21 ZINC000217980418 569455531 /nfs/dbraw/zinc/45/55/31/569455531.db2.gz JLWJZXBCCLQLGT-VFNWGFHPSA-N 0 0 427.482 2.871 50 70 IFIARN COC(=O)C[C@H](c1cnn2cccnc12)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000218508348 569458346 /nfs/dbraw/zinc/45/83/46/569458346.db2.gz VALDTWGURHCGGA-GOSISDBHSA-N 0 0 448.479 2.548 50 70 IFIARN COC(=O)[C@@H](NC(=O)c1cn(-c2cc(OC)ccc2OC)c(=O)c2ccccc12)C(C)C ZINC000218159224 557180793 /nfs/dbraw/zinc/18/07/93/557180793.db2.gz LLWVNPOZDPPSNC-NRFANRHFSA-N 0 0 438.480 2.935 50 70 IFIARN COc1ccc2cnn(CC(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)c(=O)c2c1OC ZINC000218189552 557181178 /nfs/dbraw/zinc/18/11/78/557181178.db2.gz HCBTVIGUCKYXRP-NRFANRHFSA-N 0 0 449.511 2.814 50 70 IFIARN COC(=O)c1nc(NC(=O)CCn2c(C)cc(O)cc2=O)sc1CCc1ccccc1 ZINC000218230144 557183495 /nfs/dbraw/zinc/18/34/95/557183495.db2.gz YQAOYUHUAFDBBB-UHFFFAOYSA-N 0 0 441.509 2.919 50 70 IFIARN COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000218409768 557197635 /nfs/dbraw/zinc/19/76/35/557197635.db2.gz POBCIAYIWLHKDR-QHCPKHFHSA-N 0 0 441.487 2.964 50 70 IFIARN COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)c1 ZINC000217516745 569447861 /nfs/dbraw/zinc/44/78/61/569447861.db2.gz KRVHYVDTMWWWIA-HXUWFJFHSA-N 0 0 435.523 2.883 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCc3ccco3)[C@@H]21 ZINC000217608864 569450038 /nfs/dbraw/zinc/45/00/38/569450038.db2.gz KSQGXLCUCMGAOE-JOCHJYFZSA-N 0 0 447.447 2.728 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3CCCC3)[C@@H]21 ZINC000217611466 569450063 /nfs/dbraw/zinc/45/00/63/569450063.db2.gz MYUMIGOGNAYUAH-JOCHJYFZSA-N 0 0 435.480 2.831 50 70 IFIARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)C12CCCC2 ZINC000217640467 569450725 /nfs/dbraw/zinc/45/07/25/569450725.db2.gz JHODNIULTFJTHY-PMACEKPBSA-N 0 0 430.545 2.889 50 70 IFIARN Cc1cccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)C3)cc2)c1 ZINC000217741408 569452440 /nfs/dbraw/zinc/45/24/40/569452440.db2.gz LRGIXGMMWZWFPV-SZPZYZBQSA-N 0 0 436.533 2.986 50 70 IFIARN Cc1cccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)C3)cc2)c1 ZINC000217741497 569452449 /nfs/dbraw/zinc/45/24/49/569452449.db2.gz LRGIXGMMWZWFPV-VXKWHMMOSA-N 0 0 436.533 2.986 50 70 IFIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1ccc2c(c1)OCO2 ZINC000217828059 569453775 /nfs/dbraw/zinc/45/37/75/569453775.db2.gz HZDYXEOLDCYSGX-HSZRJFAPSA-N 0 0 441.443 2.847 50 70 IFIARN COc1ccc([C@H]2CCCN2C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c(OC)c1 ZINC000217865808 569454230 /nfs/dbraw/zinc/45/42/30/569454230.db2.gz QKAMARBHKQRDQI-VQTJNVASSA-N 0 0 437.496 2.898 50 70 IFIARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccnn2C)o1 ZINC000217914598 569454924 /nfs/dbraw/zinc/45/49/24/569454924.db2.gz ZRCBXEDDOFIBQN-KRWDZBQOSA-N 0 0 432.480 2.976 50 70 IFIARN COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217937600 569455017 /nfs/dbraw/zinc/45/50/17/569455017.db2.gz HYVDWDCMMLCMOL-MRXNPFEDSA-N 0 0 445.468 2.764 50 70 IFIARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@H](c2ccccc2)C1 ZINC000218124276 557177217 /nfs/dbraw/zinc/17/72/17/557177217.db2.gz BXKPNTSNIZNCMP-OALUTQOASA-N 0 0 427.888 2.751 50 70 IFIARN Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCc2ccccc2C1 ZINC000218294376 557189913 /nfs/dbraw/zinc/18/99/13/557189913.db2.gz PYCTWQQPFGCARF-UHFFFAOYSA-N 0 0 444.579 2.971 50 70 IFIARN O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1 ZINC000218411967 557197539 /nfs/dbraw/zinc/19/75/39/557197539.db2.gz IMRWDMBUIPHLBW-NSHDSACASA-N 0 0 432.358 2.813 50 70 IFIARN COCC(=O)Nc1ccc(NC(=O)C[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1OC ZINC000218449950 557200335 /nfs/dbraw/zinc/20/03/35/557200335.db2.gz ZXWRYQHKTVMPIF-MRXNPFEDSA-N 0 0 444.440 2.538 50 70 IFIARN CC(C)CCn1cnc2ccc(NC(=O)CCCn3nnc4ccccc4c3=O)cc2c1=O ZINC000218550754 557206812 /nfs/dbraw/zinc/20/68/12/557206812.db2.gz BJVOUHQFGXIJAY-UHFFFAOYSA-N 0 0 446.511 2.966 50 70 IFIARN COc1cc2c(cc1OC)CN(C(=O)c1c(C)cc(C)n(C[C@H]3CCCO3)c1=O)CC2 ZINC000217970577 569455421 /nfs/dbraw/zinc/45/54/21/569455421.db2.gz RLGMEZRCKOAVSO-LJQANCHMSA-N 0 0 426.513 2.860 50 70 IFIARN COC(=O)COc1ccc([C@H](CC(=O)OC)c2c3[nH]snc-3ccc2=O)cc1OC ZINC000218056654 569456154 /nfs/dbraw/zinc/45/61/54/569456154.db2.gz KJDILBNLQHNOGG-LBPRGKRZSA-N 0 0 432.454 2.652 50 70 IFIARN COC(=O)C[C@@H](c1ccccc1OCc1ccccn1)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218458938 569458093 /nfs/dbraw/zinc/45/80/93/569458093.db2.gz AKUKXONVYIYTSC-INIZCTEOSA-N 0 0 438.436 2.536 50 70 IFIARN COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3c1cccc3NS(C)(=O)=O)CC2 ZINC000217829857 557174399 /nfs/dbraw/zinc/17/43/99/557174399.db2.gz JUPHYPQWZYGJDO-UHFFFAOYSA-N 0 0 443.525 2.615 50 70 IFIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000218302847 557191360 /nfs/dbraw/zinc/19/13/60/557191360.db2.gz IYRBHPLCBGHMQB-FQEVSTJZSA-N 0 0 433.512 2.694 50 70 IFIARN COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)NCCn2ccc3ccccc32)C1=O ZINC000218413182 557197982 /nfs/dbraw/zinc/19/79/82/557197982.db2.gz DAHYSDHFGHGTHW-IBGZPJMESA-N 0 0 434.496 2.667 50 70 IFIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H](c3nccn3C)c3ccccc3)C2=O)cc1 ZINC000218491424 557203286 /nfs/dbraw/zinc/20/32/86/557203286.db2.gz XYSLVVZKGZWVOF-FPOVZHCZSA-N 0 0 447.495 2.540 50 70 IFIARN COc1ccccc1CCNC(=O)[C@@H]1CS[C@@H]2c3ccc(OC)c(OC)c3C(=O)N12 ZINC000218537746 557206152 /nfs/dbraw/zinc/20/61/52/557206152.db2.gz UJPMMVKNZFRTRM-OYHNWAKOSA-N 0 0 428.510 2.641 50 70 IFIARN CSCC[C@H](NC(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1 ZINC000218569406 568760200 /nfs/dbraw/zinc/76/02/00/568760200.db2.gz POXGVPCUSCHJNK-ROUUACIJSA-N 0 0 437.525 2.988 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCC(C)C)[C@H]21 ZINC000217593946 569449693 /nfs/dbraw/zinc/44/96/93/569449693.db2.gz SFBZDIRMWLUNCZ-QFIPXVFZSA-N 0 0 437.496 2.981 50 70 IFIARN COc1ccc([C@@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1OC ZINC000217650786 569450803 /nfs/dbraw/zinc/45/08/03/569450803.db2.gz XBPHKMZVJKOMJZ-UWJYYQICSA-N 0 0 425.485 2.658 50 70 IFIARN COC(=O)CNC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000217652173 569451080 /nfs/dbraw/zinc/45/10/80/569451080.db2.gz KXZDADOPEXEJCU-JOCHJYFZSA-N 0 0 435.480 2.651 50 70 IFIARN Cc1cc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)c(Cl)cc1Cl ZINC000217740292 569452452 /nfs/dbraw/zinc/45/24/52/569452452.db2.gz FDTMDGBBENQALL-BETUJISGSA-N 0 0 429.325 2.626 50 70 IFIARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217804436 569453578 /nfs/dbraw/zinc/45/35/78/569453578.db2.gz RCYLUDLLGBWVIJ-OAHLLOKOSA-N 0 0 433.509 2.869 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cccnc3)[C@H]21 ZINC000217897809 569454702 /nfs/dbraw/zinc/45/47/02/569454702.db2.gz DYPBERJLNMWVPH-QFIPXVFZSA-N 0 0 444.447 2.852 50 70 IFIARN CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)cc1 ZINC000217903478 569454807 /nfs/dbraw/zinc/45/48/07/569454807.db2.gz OLTRIRBHHUJEJZ-UHFFFAOYSA-N 0 0 442.541 2.595 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@@H]1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000217980344 569455558 /nfs/dbraw/zinc/45/55/58/569455558.db2.gz JLWJZXBCCLQLGT-QVKFZJNVSA-N 0 0 427.482 2.871 50 70 IFIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000218240525 569456870 /nfs/dbraw/zinc/45/68/70/569456870.db2.gz GCNJGALYGGLTRY-MZMPZRCHSA-N 0 0 439.965 2.700 50 70 IFIARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)CC3 ZINC000217905625 557174733 /nfs/dbraw/zinc/17/47/33/557174733.db2.gz MZSGRAATKRGZPH-NRFANRHFSA-N 0 0 432.480 2.592 50 70 IFIARN O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000218124376 557177098 /nfs/dbraw/zinc/17/70/98/557177098.db2.gz BXKPNTSNIZNCMP-RBUKOAKNSA-N 0 0 427.888 2.751 50 70 IFIARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000218345024 557193796 /nfs/dbraw/zinc/19/37/96/557193796.db2.gz NVPSGWYOSIFLDY-INIZCTEOSA-N 0 0 439.859 2.537 50 70 IFIARN COc1ccc(N2C(=O)N[C@@H](CC(=O)NCc3nc4ccccc4n3C(C)C)C2=O)cc1 ZINC000218442744 557200015 /nfs/dbraw/zinc/20/00/15/557200015.db2.gz HJZAHJCHFSFNJB-SFHVURJKSA-N 0 0 435.484 2.757 50 70 IFIARN COCC(=O)Nc1ccc(NC(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1OC ZINC000218449871 557200269 /nfs/dbraw/zinc/20/02/69/557200269.db2.gz ZXWRYQHKTVMPIF-INIZCTEOSA-N 0 0 444.440 2.538 50 70 IFIARN O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000218474843 557201709 /nfs/dbraw/zinc/20/17/09/557201709.db2.gz LGUMZPWQVTVXJV-SFHVURJKSA-N 0 0 427.888 2.665 50 70 IFIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCCc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000218538432 557206417 /nfs/dbraw/zinc/20/64/17/557206417.db2.gz PGWNLBUZXZWGCR-IBGZPJMESA-N 0 0 435.484 2.526 50 70 IFIARN Cc1cc(S(=O)(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)c(Cl)cc1Cl ZINC000217740381 569452443 /nfs/dbraw/zinc/45/24/43/569452443.db2.gz FDTMDGBBENQALL-STQMWFEESA-N 0 0 429.325 2.626 50 70 IFIARN COc1ccc(-c2ccc(S(=O)(=O)N3CC(Oc4cc(C)n(C)c(=O)c4)C3)cc2)cc1 ZINC000217758310 569452793 /nfs/dbraw/zinc/45/27/93/569452793.db2.gz MFIXSSKQHVPACQ-UHFFFAOYSA-N 0 0 440.521 2.821 50 70 IFIARN COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217774920 569453030 /nfs/dbraw/zinc/45/30/30/569453030.db2.gz BXZUQZYPWFWMGE-GOSISDBHSA-N 0 0 431.485 2.527 50 70 IFIARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217852547 569454192 /nfs/dbraw/zinc/45/41/92/569454192.db2.gz QSXRNUISRSSRMR-LBPRGKRZSA-N 0 0 437.884 2.963 50 70 IFIARN CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cc(C3CC3)n(C)n2)Cc2ccco2)cc1 ZINC000217894979 569454671 /nfs/dbraw/zinc/45/46/71/569454671.db2.gz YYGIERZNHJWXRG-UHFFFAOYSA-N 0 0 442.541 2.983 50 70 IFIARN CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2nn(C)c3c2CCC3)C2CCCC2)cc1 ZINC000217909735 569454811 /nfs/dbraw/zinc/45/48/11/569454811.db2.gz XFCVDMLLBAONKB-UHFFFAOYSA-N 0 0 430.574 2.744 50 70 IFIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCN(CCc3ccccn3)CC2)n1 ZINC000218326788 569456953 /nfs/dbraw/zinc/45/69/53/569456953.db2.gz GDYAYEBXIRSUFT-XMMPIXPASA-N 0 0 444.583 2.899 50 70 IFIARN CSCC[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1nc2ccccc2n1C ZINC000218145804 557180233 /nfs/dbraw/zinc/18/02/33/557180233.db2.gz ZRADKWXRKADSHY-SFHVURJKSA-N 0 0 425.558 2.619 50 70 IFIARN COc1cccc2c1ccn2CCNC(=O)Cn1ccc2c1cccc2NS(C)(=O)=O ZINC000218285685 557187885 /nfs/dbraw/zinc/18/78/85/557187885.db2.gz JIYXYOJOXUFPIU-UHFFFAOYSA-N 0 0 440.525 2.793 50 70 IFIARN CC(C)n1c(CCNC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)nc2ccccc21 ZINC000218339402 557193570 /nfs/dbraw/zinc/19/35/70/557193570.db2.gz OHNQQZUMMVUFMZ-FQEVSTJZSA-N 0 0 447.539 2.829 50 70 IFIARN O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1 ZINC000218412049 557197740 /nfs/dbraw/zinc/19/77/40/557197740.db2.gz IMRWDMBUIPHLBW-LLVKDONJSA-N 0 0 432.358 2.813 50 70 IFIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](c3nccn3C)c3ccccc3)C2=O)cc1 ZINC000218491329 557203245 /nfs/dbraw/zinc/20/32/45/557203245.db2.gz XYSLVVZKGZWVOF-PZJWPPBQSA-N 0 0 447.495 2.540 50 70 IFIARN COc1ccccc1CCNC(=O)[C@@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N12 ZINC000218537824 557206453 /nfs/dbraw/zinc/20/64/53/557206453.db2.gz UJPMMVKNZFRTRM-NYHFZMIOSA-N 0 0 428.510 2.641 50 70 IFIARN COCc1n[nH]c(-c2cccc(NC(=O)c3c(C)cc(C)n(C[C@H]4CCCO4)c3=O)c2)n1 ZINC000218607488 557209931 /nfs/dbraw/zinc/20/99/31/557209931.db2.gz KMMBHFVWWRNGBB-GOSISDBHSA-N 0 0 437.500 2.828 50 70 IFIARN O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000217489069 569447048 /nfs/dbraw/zinc/44/70/48/569447048.db2.gz SNPKVJWAHLOVBI-UHFFFAOYSA-N 0 0 449.492 2.920 50 70 IFIARN COC(=O)CNC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000217652263 569451093 /nfs/dbraw/zinc/45/10/93/569451093.db2.gz KXZDADOPEXEJCU-QFIPXVFZSA-N 0 0 435.480 2.651 50 70 IFIARN COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000217669852 569451203 /nfs/dbraw/zinc/45/12/03/569451203.db2.gz OXXDLVVTCGUUTL-QGZVFWFLSA-N 0 0 427.486 2.759 50 70 IFIARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217852442 569454168 /nfs/dbraw/zinc/45/41/68/569454168.db2.gz QSXRNUISRSSRMR-GFCCVEGCSA-N 0 0 437.884 2.963 50 70 IFIARN C[C@@](O)(CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2s1 ZINC000217520408 569447889 /nfs/dbraw/zinc/44/78/89/569447889.db2.gz NBDWQSUHFLLCJT-HSZRJFAPSA-N 0 0 437.521 2.991 50 70 IFIARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@H](C(=O)OC)C(C)C)C12CCCCC2 ZINC000217659214 569451138 /nfs/dbraw/zinc/45/11/38/569451138.db2.gz HZSOFYQDNICPII-UXHICEINSA-N 0 0 430.545 2.889 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCC(C)C)[C@H]21 ZINC000217679022 569451550 /nfs/dbraw/zinc/45/15/50/569451550.db2.gz MNFSZUWBGZPGSM-QFIPXVFZSA-N 0 0 437.496 2.981 50 70 IFIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCN(CCc3ccccn3)CC2)n1 ZINC000218326866 569457064 /nfs/dbraw/zinc/45/70/64/569457064.db2.gz GDYAYEBXIRSUFT-DEOSSOPVSA-N 0 0 444.583 2.899 50 70 IFIARN COC(=O)C[C@H](c1ccccc1OCc1ccccn1)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218458865 569458100 /nfs/dbraw/zinc/45/81/00/569458100.db2.gz AKUKXONVYIYTSC-MRXNPFEDSA-N 0 0 438.436 2.536 50 70 IFIARN COc1ccc(CNc2c(=O)c(=O)c2N2CCN(c3ccc(Cl)cc3)CC2)cc1OC ZINC000218196736 557181584 /nfs/dbraw/zinc/18/15/84/557181584.db2.gz JWEIQICSMQUGEF-UHFFFAOYSA-N 0 0 441.915 2.892 50 70 IFIARN O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1nc(-c2ccccn2)cs1 ZINC000218221943 557183073 /nfs/dbraw/zinc/18/30/73/557183073.db2.gz LSUCMBXRRMRSED-HNNXBMFYSA-N 0 0 425.445 2.793 50 70 IFIARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(=O)N2CCNC2=O)c(Cl)c1 ZINC000218318306 557192765 /nfs/dbraw/zinc/19/27/65/557192765.db2.gz CEHBDNKXWRRFPX-QGZVFWFLSA-N 0 0 431.832 2.804 50 70 IFIARN COc1ccccc1CCNC(=O)[C@H]1CS[C@H]2c3ccc(OC)c(OC)c3C(=O)N12 ZINC000218537664 557206140 /nfs/dbraw/zinc/20/61/40/557206140.db2.gz UJPMMVKNZFRTRM-QRQCRPRQSA-N 0 0 428.510 2.641 50 70 IFIARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)cc1 ZINC000217518990 569447885 /nfs/dbraw/zinc/44/78/85/569447885.db2.gz GLTDUOHUWOPDNP-ICLZECGLSA-N 0 0 443.503 2.822 50 70 IFIARN COc1ccc(CCOc2cc([C@H](CC(N)=O)c3c(C)[nH][nH]c3=O)ccc2OC)cc1 ZINC000217611996 569450205 /nfs/dbraw/zinc/45/02/05/569450205.db2.gz WJWIGAYWDNAEBD-SFHVURJKSA-N 0 0 425.485 2.657 50 70 IFIARN COc1cccc([C@H]2SCCN2S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1 ZINC000217639306 569450743 /nfs/dbraw/zinc/45/07/43/569450743.db2.gz GYRQNGVSBSUSLT-OAQYLSRUSA-N 0 0 430.551 2.967 50 70 IFIARN COc1ccc([C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1OC ZINC000217650700 569450830 /nfs/dbraw/zinc/45/08/30/569450830.db2.gz XBPHKMZVJKOMJZ-LAUBAEHRSA-N 0 0 425.485 2.658 50 70 IFIARN Cc1cc(S(=O)(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)c(Cl)cc1Cl ZINC000217740469 569452473 /nfs/dbraw/zinc/45/24/73/569452473.db2.gz FDTMDGBBENQALL-CHWSQXEVSA-N 0 0 429.325 2.626 50 70 IFIARN Cc1cc(OC2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc(=O)n1C ZINC000217779398 569453078 /nfs/dbraw/zinc/45/30/78/569453078.db2.gz LCMSNGQJGOPBHU-UHFFFAOYSA-N 0 0 441.347 2.688 50 70 IFIARN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217804541 569453521 /nfs/dbraw/zinc/45/35/21/569453521.db2.gz RCYLUDLLGBWVIJ-HNNXBMFYSA-N 0 0 433.509 2.869 50 70 IFIARN COC(=O)c1sccc1S(=O)(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2 ZINC000217907550 569454799 /nfs/dbraw/zinc/45/47/99/569454799.db2.gz AZLWTCMHSFKVGQ-UHFFFAOYSA-N 0 0 435.527 2.741 50 70 IFIARN COC(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)cc1 ZINC000217907675 569454801 /nfs/dbraw/zinc/45/48/01/569454801.db2.gz KCRJNKWZCAMFCF-UHFFFAOYSA-N 0 0 429.498 2.680 50 70 IFIARN COC(=O)C[C@@H](c1cnn2cccnc12)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000218508267 569458325 /nfs/dbraw/zinc/45/83/25/569458325.db2.gz VALDTWGURHCGGA-SFHVURJKSA-N 0 0 448.479 2.548 50 70 IFIARN COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@H]4C2=O)c1 ZINC000217685198 557173333 /nfs/dbraw/zinc/17/33/33/557173333.db2.gz MNUZQXZGLGFDJP-KWNHSTDBSA-N 0 0 443.503 2.822 50 70 IFIARN CC(C)[C@H](NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C ZINC000217773765 557173983 /nfs/dbraw/zinc/17/39/83/557173983.db2.gz VHODNOAERZQJJW-RXVVDRJESA-N 0 0 433.512 2.918 50 70 IFIARN COc1ccc2c(ccn2CCNC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000218164378 557180868 /nfs/dbraw/zinc/18/08/68/557180868.db2.gz CESBEXCMWNVADQ-FQEVSTJZSA-N 0 0 434.496 2.667 50 70 IFIARN COc1cccc(N2CCN(C(=O)[C@H](CCSC)Nc3nc(C)cc(C)n3)CC2)c1 ZINC000218241239 557184052 /nfs/dbraw/zinc/18/40/52/557184052.db2.gz VRLTZMYITUJHDM-FQEVSTJZSA-N 0 0 429.590 2.984 50 70 IFIARN COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1 ZINC000218566723 568760225 /nfs/dbraw/zinc/76/02/25/568760225.db2.gz VIPVNTJBSUPEMB-FQEVSTJZSA-N 0 0 438.459 2.880 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCc3ccco3)[C@H]21 ZINC000217608780 569450047 /nfs/dbraw/zinc/45/00/47/569450047.db2.gz KSQGXLCUCMGAOE-QFIPXVFZSA-N 0 0 447.447 2.728 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3CCCC3)[C@H]21 ZINC000217611361 569450061 /nfs/dbraw/zinc/45/00/61/569450061.db2.gz MYUMIGOGNAYUAH-QFIPXVFZSA-N 0 0 435.480 2.831 50 70 IFIARN Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cnn(C)c2)o1 ZINC000217678808 569451574 /nfs/dbraw/zinc/45/15/74/569451574.db2.gz PEPIAQWTWBSYMU-SFHVURJKSA-N 0 0 432.480 2.976 50 70 IFIARN O=c1cc(CN2CCCCC2)oc(CN2CCN(CCOc3ccccc3)CC2)c1O ZINC000218230778 557183330 /nfs/dbraw/zinc/18/33/30/557183330.db2.gz QRWJWDGOUMFBOB-UHFFFAOYSA-N 0 0 427.545 2.528 50 70 IFIARN O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NCCn1ccc2ccc(F)cc21 ZINC000218307988 557191732 /nfs/dbraw/zinc/19/17/32/557191732.db2.gz UIIYFZDIECPVNN-FQEVSTJZSA-N 0 0 436.487 2.840 50 70 IFIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(Cl)cc1-n1cnnn1 ZINC000218554583 557207016 /nfs/dbraw/zinc/20/70/16/557207016.db2.gz KPRIYXCQZOVHKS-ZDUSSCGKSA-N 0 0 425.880 2.803 50 70 IFIARN C[C@](O)(CNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2)c1cc2ccccc2s1 ZINC000217520663 569447850 /nfs/dbraw/zinc/44/78/50/569447850.db2.gz PBFPNGYENAMKAN-DEOSSOPVSA-N 0 0 449.532 2.699 50 70 IFIARN COc1ccc(CCOc2cc([C@@H](CC(N)=O)c3c(C)[nH][nH]c3=O)ccc2OC)cc1 ZINC000217612080 569450228 /nfs/dbraw/zinc/45/02/28/569450228.db2.gz WJWIGAYWDNAEBD-GOSISDBHSA-N 0 0 425.485 2.657 50 70 IFIARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)N[C@H](C(=O)OC)C(C)C)C12CCCCC2 ZINC000217659288 569451181 /nfs/dbraw/zinc/45/11/81/569451181.db2.gz HZSOFYQDNICPII-PMACEKPBSA-N 0 0 430.545 2.889 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCC(C)C)[C@@H]21 ZINC000217679109 569451554 /nfs/dbraw/zinc/45/15/54/569451554.db2.gz MNFSZUWBGZPGSM-JOCHJYFZSA-N 0 0 437.496 2.981 50 70 IFIARN Cc1cccc(-c2ccc(S(=O)(=O)N3CC(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)C3)cc2)c1 ZINC000217741577 569452446 /nfs/dbraw/zinc/45/24/46/569452446.db2.gz LRGIXGMMWZWFPV-FGZHOGPDSA-N 0 0 436.533 2.986 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)CS[C@@H]21 ZINC000217980584 569455538 /nfs/dbraw/zinc/45/55/38/569455538.db2.gz JLWJZXBCCLQLGT-BTYIYWSLSA-N 0 0 427.482 2.871 50 70 IFIARN CSCC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218122458 557177161 /nfs/dbraw/zinc/17/71/61/557177161.db2.gz UNZXMGSROQWADQ-SFHVURJKSA-N 0 0 436.541 2.679 50 70 IFIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000218302913 557191310 /nfs/dbraw/zinc/19/13/10/557191310.db2.gz IYRBHPLCBGHMQB-HXUWFJFHSA-N 0 0 433.512 2.694 50 70 IFIARN COCc1nn2c(nc(CSCC(=O)Nc3cccc4c3ccn4C)cc2=O)s1 ZINC000218615473 557210354 /nfs/dbraw/zinc/21/03/54/557210354.db2.gz IYZIQKGWNXPOKQ-UHFFFAOYSA-N 0 0 429.527 2.661 50 70 IFIARN COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217690348 569451707 /nfs/dbraw/zinc/45/17/07/569451707.db2.gz KJNPYHZDWIXWKI-QGZVFWFLSA-N 0 0 429.469 2.798 50 70 IFIARN COCc1n[nH]c(-c2cccc(NC(=O)c3c(C)cc(C)n(C[C@@H]4CCCO4)c3=O)c2)n1 ZINC000218607407 557209988 /nfs/dbraw/zinc/20/99/88/557209988.db2.gz KMMBHFVWWRNGBB-SFHVURJKSA-N 0 0 437.500 2.828 50 70 IFIARN COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(OC)cc3OC)[C@@H]4C2=O)cc1 ZINC000217520789 569447846 /nfs/dbraw/zinc/44/78/46/569447846.db2.gz UHQGAHOMMGNWMW-UMCMBGNQSA-N 0 0 436.464 2.638 50 70 IFIARN COc1ccc(-c2coc3ccc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc32)cc1OC ZINC000217595814 569449701 /nfs/dbraw/zinc/44/97/01/569449701.db2.gz YJOSIXZCIMWSPC-HNNXBMFYSA-N 0 0 445.493 2.799 50 70 IFIARN COc1ccc(CCC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1Br ZINC000217610523 569450036 /nfs/dbraw/zinc/45/00/36/569450036.db2.gz HKICVSRWXPWXKA-UHFFFAOYSA-N 0 0 447.333 2.559 50 70 IFIARN COCCN1C(=O)c2ccccc2[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)C12CCCC2 ZINC000217640384 569450706 /nfs/dbraw/zinc/45/07/06/569450706.db2.gz JHODNIULTFJTHY-VQTJNVASSA-N 0 0 430.545 2.889 50 70 IFIARN NC(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cc1 ZINC000217668954 569451225 /nfs/dbraw/zinc/45/12/25/569451225.db2.gz SMQBQEVWGTYBLD-JOCHJYFZSA-N 0 0 426.432 2.539 50 70 IFIARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cnn(C)c2)o1 ZINC000217678892 569451557 /nfs/dbraw/zinc/45/15/57/569451557.db2.gz PEPIAQWTWBSYMU-GOSISDBHSA-N 0 0 432.480 2.976 50 70 IFIARN COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCCCC2)cc(=O)c1O ZINC000217775017 569453049 /nfs/dbraw/zinc/45/30/49/569453049.db2.gz BXZUQZYPWFWMGE-SFHVURJKSA-N 0 0 431.485 2.527 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ccncc3)[C@@H]21 ZINC000217982506 569455575 /nfs/dbraw/zinc/45/55/75/569455575.db2.gz CLLZQXQFTDZUTD-JOCHJYFZSA-N 0 0 444.447 2.852 50 70 IFIARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)CS[C@H]21 ZINC000217980504 569455587 /nfs/dbraw/zinc/45/55/87/569455587.db2.gz JLWJZXBCCLQLGT-YCRPNKLZSA-N 0 0 427.482 2.871 50 70 IFIARN CC(C)[C@H](NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C ZINC000217773835 557174040 /nfs/dbraw/zinc/17/40/40/557174040.db2.gz VHODNOAERZQJJW-NQIIRXRSSA-N 0 0 433.512 2.918 50 70 IFIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCN(CCc3ccncc3)CC2)n1 ZINC000218177511 557181183 /nfs/dbraw/zinc/18/11/83/557181183.db2.gz ZKEWATHZUBVOQK-XMMPIXPASA-N 0 0 444.583 2.899 50 70 IFIARN COc1cccc(N2CCN(C(=O)[C@@H](CCSC)Nc3nc(C)cc(C)n3)CC2)c1 ZINC000218241289 557183940 /nfs/dbraw/zinc/18/39/40/557183940.db2.gz VRLTZMYITUJHDM-HXUWFJFHSA-N 0 0 429.590 2.984 50 70 IFIARN COc1ccc2sc(N3C[C@@]45C=C[C@@H](O4)[C@@H](C(=O)NC4CCCC4)[C@H]5C3=O)nc2c1 ZINC000217703538 568883426 /nfs/dbraw/zinc/88/34/26/568883426.db2.gz IYFIFVRJEYGKAR-YDGKCNFYSA-N 0 0 425.510 2.650 50 70 IFIARN COc1ccc(-c2coc3ccc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc32)cc1OC ZINC000217595738 569449703 /nfs/dbraw/zinc/44/97/03/569449703.db2.gz YJOSIXZCIMWSPC-OAHLLOKOSA-N 0 0 445.493 2.799 50 70 IFIARN COc1cccc([C@@H]2SCCN2S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1 ZINC000217639402 569450705 /nfs/dbraw/zinc/45/07/05/569450705.db2.gz GYRQNGVSBSUSLT-NRFANRHFSA-N 0 0 430.551 2.967 50 70 IFIARN COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000217669771 569451206 /nfs/dbraw/zinc/45/12/06/569451206.db2.gz OXXDLVVTCGUUTL-KRWDZBQOSA-N 0 0 427.486 2.759 50 70 IFIARN