smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000001486538 561676052 /nfs/dbraw/zinc/67/60/52/561676052.db2.gz LZSMGMMAKBCSRL-WDJVXPEUSA-N 0 3 519.041 4.319 1 0 in-vivo KIAFHN O=c1[nH]c(NCCCN[C@H]2CCNc3c(Br)cc(Br)cc32)nc2ccsc21 ZINC000001549809 561677418 /nfs/dbraw/zinc/67/74/18/561677418.db2.gz PELMCCPHIUBVDQ-ZDUSSCGKSA-N 0 3 513.259 4.458 1 0 KIAFHN NCc1ccc(Cl)c(NC(=O)CN2CCCC[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1 ZINC000001552008 561677544 /nfs/dbraw/zinc/67/75/44/561677544.db2.gz JTDHGVJBDFRZDP-DEOSSOPVSA-N 0 3 505.018 4.215 1 0 KIAFHN O=C(Nc1ccc(C2=NCCN2)c(Cl)c1)c1cccc(C(=O)Nc2ccc(C3=NCCN3)c(Cl)c2)c1 ZINC000001689096 561679367 /nfs/dbraw/zinc/67/93/67/561679367.db2.gz DYEUTYAAUNSQHI-UHFFFAOYSA-N 0 3 521.408 4.198 1 0 KIAFHN Cc1cccc(OS(=O)(=O)c2ccc(COc3ccc(N4C(=N)NC(=N)NC4(C)C)cc3Cl)cc2)c1 ZINC000001727765 561679325 /nfs/dbraw/zinc/67/93/25/561679325.db2.gz GYASQDFDPCWPPP-UHFFFAOYSA-N 0 3 528.034 4.181 1 0 KIAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccc(F)cc3)cc2)c(Cl)c1 ZINC000001727972 561679322 /nfs/dbraw/zinc/67/93/22/561679322.db2.gz GMDITTRZRYCNLY-UHFFFAOYSA-N 0 3 531.997 4.011 1 0 KIAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3cccc(F)c3)cc2)c(Cl)c1 ZINC000001727973 561679470 /nfs/dbraw/zinc/67/94/70/561679470.db2.gz LECIZEZHIHHZGU-UHFFFAOYSA-N 0 3 531.997 4.011 1 0 KIAFHN CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(S(=O)(=O)Oc3ccccc3F)cc2)c(Cl)c1 ZINC000001727974 561679496 /nfs/dbraw/zinc/67/94/96/561679496.db2.gz YEXAVMOIILOVQZ-UHFFFAOYSA-N 0 3 531.997 4.011 1 0 KIAFHN O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)sc3cc(CCCCN4CCOCC4)ccc32)CC1 ZINC000003808341 561682708 /nfs/dbraw/zinc/68/27/08/561682708.db2.gz NSPAPURIGJZYJN-UHFFFAOYSA-N 0 3 525.690 4.452 1 0 KIAFHN Nc1cc(CN2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(-c5cc(F)cc(F)c5)c4=O)CC3)CC2)ccn1 ZINC000003928048 561686858 /nfs/dbraw/zinc/68/68/58/561686858.db2.gz PHYADSPDZPCYNR-UHFFFAOYSA-N 0 3 564.612 4.262 1 0 KIAFHN Nc1cc(CN2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(CCCC(F)(F)F)c4=O)CC3)CC2)ccn1 ZINC000003928050 561686893 /nfs/dbraw/zinc/68/68/93/561686893.db2.gz KODNBJZZDKPFDL-UHFFFAOYSA-N 0 3 562.612 4.338 1 0 KIAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000003930425 561687229 /nfs/dbraw/zinc/68/72/29/561687229.db2.gz ZAAHWJMMDZYDIP-HRLYYARCSA-N 0 3 575.794 4.166 1 0 KIAFHN Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003935707 561688434 /nfs/dbraw/zinc/68/84/34/561688434.db2.gz XPOHMRPODUVLPC-GQSOHLTDSA-N 0 3 535.729 4.198 1 0 KIAFHN CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000003939388 561689048 /nfs/dbraw/zinc/68/90/48/561689048.db2.gz RKIRUNUDHJGEGW-MHZLTWQESA-N 0 3 539.702 4.450 1 0 KIAFHN CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1S2 ZINC000003950846 561690476 /nfs/dbraw/zinc/69/04/76/561690476.db2.gz ODLVSXJQMRFBPK-UHFFFAOYSA-N 0 3 577.776 4.358 1 0 KIAFHN COCC1=C(C(=O)OC)[C@@H](c2cc(F)c(F)c(F)c2)N(C(=O)N2CCC(N3CCC(C(=O)OC)(c4ccccc4)CC3)CC2)C(=O)N1 ZINC000003960909 561691151 /nfs/dbraw/zinc/69/11/51/561691151.db2.gz IAPFEDPQSKFUSX-MUUNZHRXSA-N 0 3 658.674 4.035 1 0 KIAFHN CCN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)[C@@H](c1ccc(F)c(F)c1)N1CCCC1=O ZINC000003963248 561691324 /nfs/dbraw/zinc/69/13/24/561691324.db2.gz YFPQFEDZZVHPSB-HHHXNRCGSA-N 0 3 511.613 4.388 1 0 KIAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2ccccc2)c1 ZINC000003965952 561691555 /nfs/dbraw/zinc/69/15/55/561691555.db2.gz HVYYWXORVBMLDG-URLMMPGGSA-N 0 3 501.671 4.441 1 0 KIAFHN COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)[C@@H]1c1ccc(F)c(F)c1 ZINC000003966036 561691671 /nfs/dbraw/zinc/69/16/71/561691671.db2.gz MVUYRJDAYOGRLE-RUZDIDTESA-N 0 3 554.594 4.099 1 0 KIAFHN COc1cc(NC(=O)N[C@@H](CN2CCC(Cc3ccc(Cl)cc3)CC2)[C@@H](C)O)cc(OC)c1OC ZINC000003976124 560191865 /nfs/dbraw/zinc/19/18/65/560191865.db2.gz JYDVJNOBDUOZJC-VGSWGCGISA-N 0 3 506.043 4.191 1 0 in-vitro KIAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)c2ccccc2)c(C)c1 ZINC000003976781 561691991 /nfs/dbraw/zinc/69/19/91/561691991.db2.gz ZBIJSTZDZCPBBF-AZGAKELHSA-N 0 3 513.560 4.060 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H](C)C(=O)NC2CCCCC2)cc(N(c2ccccc2)S(C)(=O)=O)c1 ZINC000003987493 561693011 /nfs/dbraw/zinc/69/30/11/561693011.db2.gz SMMANAWVXZZNER-DZMJNENTSA-N 0 3 649.858 4.345 1 0 in-vitro KIAFHN CCOC(=O)CN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2ccncc2)CC1 ZINC000003992098 561693432 /nfs/dbraw/zinc/69/34/32/561693432.db2.gz PNXHHBOOJOYZML-UHFFFAOYSA-N 0 3 544.073 4.113 1 0 KIAFHN NCc1ccc(Cl)c(NC(=O)CN2CCCC[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1 ZINC000003992186 561693450 /nfs/dbraw/zinc/69/34/50/561693450.db2.gz JTDHGVJBDFRZDP-XMMPIXPASA-N 0 3 505.018 4.215 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)CN2CCC(N3C(=O)CCc4cc(Cl)ccc43)CC2)C1 ZINC000003992197 561693420 /nfs/dbraw/zinc/69/34/20/561693420.db2.gz QCVFWWFGAKRNHR-RUZDIDTESA-N 0 3 677.065 4.088 1 0 KIAFHN O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c32)[C@@H]2Oc3c5c(ccc3O)C[C@H]3N(CC6CC6)CC[C@]52[C@@]3(O)C4)cc1C=O ZINC000003994906 561693672 /nfs/dbraw/zinc/69/36/72/561693672.db2.gz QWQJCNFKUGDCGU-TXDOIKDBSA-N 0 3 589.648 4.450 1 0 KIAFHN CC(C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1)N(C)C ZINC000004098493 560195794 /nfs/dbraw/zinc/19/57/94/560195794.db2.gz BDHCXPWIDHVEQN-LKTJRWEVSA-N 0 3 593.728 4.187 1 0 in-vitro KIAFHN O=c1[nH]c(NCCCN[C@@H]2CCNc3c(Br)cc(Br)cc32)nc2ccsc21 ZINC000004822075 561695580 /nfs/dbraw/zinc/69/55/80/561695580.db2.gz PELMCCPHIUBVDQ-CYBMUJFWSA-N 0 3 513.259 4.458 1 0 KIAFHN CCC[C@H](O)[C@@H](CNc1cc(NC(C)=O)nc(NC(C)=O)n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000006003876 561701202 /nfs/dbraw/zinc/70/12/02/561701202.db2.gz NGFMYTICAGJPHK-RPBOFIJWSA-N 0 3 504.635 4.037 1 0 KIAFHN Cn1c2c(nc1C(F)(F)F)[C@H](Cc1ccccc1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2 ZINC000011687785 561709890 /nfs/dbraw/zinc/70/98/90/561709890.db2.gz WPHMUXWMCFNMCS-IERDGZPVSA-N 0 3 510.482 4.485 1 0 KIAFHN Cn1c2c(nc1C(F)(F)F)[C@@H](Cc1ccccc1)N(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2 ZINC000011687786 561709936 /nfs/dbraw/zinc/70/99/36/561709936.db2.gz WPHMUXWMCFNMCS-IIBYNOLFSA-N 0 3 510.482 4.485 1 0 KIAFHN CN1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011785239 561709883 /nfs/dbraw/zinc/70/98/83/561709883.db2.gz ZYWSQMCIHBIHHR-OFNKIYASSA-N 0 3 533.620 4.361 1 0 KIAFHN [NH3+]CCc1c[nH]c2c1c(-c1c3c(CC[NH3+])c[nH]c3c([O-])cc1Br)c(Br)cc2[O-] ZINC000013434713 561711859 /nfs/dbraw/zinc/71/18/59/561711859.db2.gz WOFRPUHHIHPQGR-UHFFFAOYSA-N 0 3 508.214 4.255 1 0 KIAFHN O=C(NCCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)Nc1cccc(I)c1 ZINC000013443443 561712947 /nfs/dbraw/zinc/71/29/47/561712947.db2.gz CEMHMXWUBPDAQL-NHCUHLMSSA-N 0 3 502.400 4.037 1 0 KIAFHN O=C(NCCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)Nc1ccc(I)cc1 ZINC000013443446 561712999 /nfs/dbraw/zinc/71/29/99/561712999.db2.gz ZHFUJRBAYSOUBG-NHCUHLMSSA-N 0 3 502.400 4.037 1 0 KIAFHN N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 ZINC000013444817 561713058 /nfs/dbraw/zinc/71/30/58/561713058.db2.gz IYDTWLIGTRMAPG-SSEXGKCCSA-N 0 3 511.666 4.429 1 0 KIAFHN COc1ccc([C@@H]2Cc3cc(OCc4ccccc4)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000013450863 561713373 /nfs/dbraw/zinc/71/33/73/561713373.db2.gz HQSDJAVKTGISTO-LMSSTIIKSA-N 0 3 502.611 4.440 1 0 KIAFHN COc1ccccc1N1CCN(CCCCCCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1 ZINC000013475433 561714604 /nfs/dbraw/zinc/71/46/04/561714604.db2.gz NIQPANALRLHZSV-UHFFFAOYSA-N 0 3 500.647 4.364 1 0 KIAFHN CN(C[C@@H](CCN1CCC(NC(=O)NCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013479396 561715033 /nfs/dbraw/zinc/71/50/33/561715033.db2.gz AARBZINJGYTIMT-HHHXNRCGSA-N 0 3 534.726 4.445 1 0 KIAFHN CN(C[C@H](CCN1CCC(NC(=O)NCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000013479397 561714984 /nfs/dbraw/zinc/71/49/84/561714984.db2.gz AARBZINJGYTIMT-MHZLTWQESA-N 0 3 534.726 4.445 1 0 KIAFHN CC(=C(F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Cl)c1cccc(C(=N)NO)c1 ZINC000013487207 561715175 /nfs/dbraw/zinc/71/51/75/561715175.db2.gz PYAIGCXCMBYOKF-FYJGNVAPSA-N 0 3 502.955 4.298 1 0 KIAFHN CCOc1c(I)cc(CO)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487780 561715266 /nfs/dbraw/zinc/71/52/66/561715266.db2.gz VKIJAUFMRAGGCB-UHFFFAOYSA-N 0 3 507.372 4.028 1 0 KIAFHN CCOc1c(CO)cc(I)cc1CNCCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487790 561715220 /nfs/dbraw/zinc/71/52/20/561715220.db2.gz FEBUHGOKADCTKT-UHFFFAOYSA-N 0 3 507.372 4.028 1 0 KIAFHN CN(CCCc1ccc(Cl)cc1Cl)c1nc(NCCc2ccc(O)cc2)nc(N2CCNCC2)n1 ZINC000013492573 561716434 /nfs/dbraw/zinc/71/64/34/561716434.db2.gz ZDPFRXYHHTUZDV-UHFFFAOYSA-N 0 3 516.477 4.017 1 0 KIAFHN C[C@@H]1CN(c2nc(NCCc3ccc(O)cc3)nc(N(C)CCCc3ccc(Cl)cc3)n2)C[C@H](C)N1 ZINC000013492577 561716417 /nfs/dbraw/zinc/71/64/17/561716417.db2.gz CKXPOIJBYUMJIU-BGYRXZFFSA-N 0 3 510.086 4.141 1 0 KIAFHN CCn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)nn1 ZINC000013492999 561716513 /nfs/dbraw/zinc/71/65/13/561716513.db2.gz CJGRIFQTJRPEFT-UHFFFAOYSA-N 0 3 501.610 4.253 1 0 KIAFHN CCn1ncc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 ZINC000013493001 561716542 /nfs/dbraw/zinc/71/65/42/561716542.db2.gz NEBSYJAENXRLFM-UHFFFAOYSA-N 0 3 501.610 4.253 1 0 KIAFHN COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(C[C@@H]2CCCO2)CC[C@]314 ZINC000013518082 561716793 /nfs/dbraw/zinc/71/67/93/561716793.db2.gz JYPQIBMWBJBMFO-BHYHCEIKSA-N 0 3 503.639 4.255 1 0 KIAFHN COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(C[C@H]2CCCO2)CC[C@]314 ZINC000013518084 561716751 /nfs/dbraw/zinc/71/67/51/561716751.db2.gz JYPQIBMWBJBMFO-ZFXUWXHMSA-N 0 3 503.639 4.255 1 0 KIAFHN CCc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)c1 ZINC000013519324 561716910 /nfs/dbraw/zinc/71/69/10/561716910.db2.gz LMWQYILSIDBZRE-UHFFFAOYSA-N 0 3 518.608 4.444 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)NCc3ccccc3)c2=O)c1 ZINC000013553279 561718243 /nfs/dbraw/zinc/71/82/43/561718243.db2.gz IMSNMXOGTCRJBF-LJQANCHMSA-N 0 3 505.565 4.499 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)NCc3ccccc3)c2=O)c1 ZINC000013553280 561718320 /nfs/dbraw/zinc/71/83/20/561718320.db2.gz IMSNMXOGTCRJBF-IBGZPJMESA-N 0 3 505.565 4.499 1 0 KIAFHN CN(C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1cccc2ccccc21 ZINC000013557193 561718815 /nfs/dbraw/zinc/71/88/15/561718815.db2.gz PIEVPYPBMBBZQU-UHFFFAOYSA-N 0 3 525.653 4.228 1 0 KIAFHN COc1cc2c(cc1OC)C(=O)N([C@@H]1CCCN(CCCOc3ccc(Br)cc3)C1)CC2 ZINC000013558936 561719345 /nfs/dbraw/zinc/71/93/45/561719345.db2.gz QJOFOCOELQJHKZ-HXUWFJFHSA-N 0 3 503.437 4.398 1 0 KIAFHN COc1cc2c(cc1OC)C(=O)N([C@H]1CCCN(CCCOc3ccc(Br)cc3)C1)CC2 ZINC000013558937 561719502 /nfs/dbraw/zinc/71/95/02/561719502.db2.gz QJOFOCOELQJHKZ-FQEVSTJZSA-N 0 3 503.437 4.398 1 0 KIAFHN Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1 ZINC000013559582 561719509 /nfs/dbraw/zinc/71/95/09/561719509.db2.gz OIHWKFSKUUHXKM-UHFFFAOYSA-N 0 3 504.581 4.190 1 0 KIAFHN Cc1c(-c2cccc(F)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559586 561719439 /nfs/dbraw/zinc/71/94/39/561719439.db2.gz FZQYYCQNCZUSQP-UHFFFAOYSA-N 0 3 508.544 4.021 1 0 KIAFHN Cc1c(-c2ccccc2F)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559587 561719445 /nfs/dbraw/zinc/71/94/45/561719445.db2.gz JEDCMEAMVGULED-UHFFFAOYSA-N 0 3 508.544 4.021 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)Cc3ccccc3)c2=O)c1F ZINC000013580592 561719946 /nfs/dbraw/zinc/71/99/46/561719946.db2.gz VEZUKTIPDDOQAW-LJQANCHMSA-N 0 3 509.528 4.030 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](N)Cc3ccccc3)c2=O)c1F ZINC000013580594 561719933 /nfs/dbraw/zinc/71/99/33/561719933.db2.gz VEZUKTIPDDOQAW-IBGZPJMESA-N 0 3 509.528 4.030 1 0 KIAFHN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)(C)C ZINC000013583099 561720162 /nfs/dbraw/zinc/72/01/62/561720162.db2.gz BLJKLFWRIJTRKB-BHQPJMTKSA-N 0 3 501.712 4.076 1 0 KIAFHN CS(=O)(=O)CCNCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000013588399 561721028 /nfs/dbraw/zinc/72/10/28/561721028.db2.gz PFBNCPMUCGZALP-UHFFFAOYSA-N 0 3 506.628 4.356 1 0 KIAFHN C[NH+](C)CCCN1C(=O)[C@H](c2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=S ZINC000013588717 561721246 /nfs/dbraw/zinc/72/12/46/561721246.db2.gz RLLQQCVZGOLIIS-VWLOTQADSA-N 0 3 511.655 4.156 1 0 KIAFHN C[NH+](C)CCCN1C(=O)[C@H](c2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=S ZINC000013588717 561721245 /nfs/dbraw/zinc/72/12/45/561721245.db2.gz RLLQQCVZGOLIIS-VWLOTQADSA-N 0 3 511.655 4.156 1 0 KIAFHN C[NH+](C)CCCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=S ZINC000013588718 561721191 /nfs/dbraw/zinc/72/11/91/561721191.db2.gz RSZWMKSWYWFHMX-SANMLTNESA-N 0 3 525.682 4.026 1 0 KIAFHN C[NH+](C)CCCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=S ZINC000013588718 561721189 /nfs/dbraw/zinc/72/11/89/561721189.db2.gz RSZWMKSWYWFHMX-SANMLTNESA-N 0 3 525.682 4.026 1 0 KIAFHN C[NH+](C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000013588721 561721264 /nfs/dbraw/zinc/72/12/64/561721264.db2.gz IXLOJUPQFLFPAG-MHZLTWQESA-N 0 3 523.641 4.251 1 0 KIAFHN C[NH+](C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000013588721 561721263 /nfs/dbraw/zinc/72/12/63/561721263.db2.gz IXLOJUPQFLFPAG-MHZLTWQESA-N 0 3 523.641 4.251 1 0 KIAFHN CN[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2F)c1=O)c1ccccc1 ZINC000013609596 561721871 /nfs/dbraw/zinc/72/18/71/561721871.db2.gz OEKYQWSUPLNKJE-QHCPKHFHSA-N 0 3 509.528 4.420 1 0 KIAFHN CN[C@@H](Cn1c(=O)c(-c2ccc3c(c2)OCO3)c(C)n(Cc2c(F)cccc2F)c1=O)c1ccccc1 ZINC000013609647 561721883 /nfs/dbraw/zinc/72/18/83/561721883.db2.gz WNHRUAZGRQBOOI-QHCPKHFHSA-N 0 3 505.521 4.001 1 0 KIAFHN COc1cc(C)c(S(=O)(=O)NC[C@@H](O)[C@H](Cc2ccccc2)NCc2cccc(Cl)c2)c(C)c1C ZINC000013681956 561724604 /nfs/dbraw/zinc/72/46/04/561724604.db2.gz NMWFFNHLGKDPOV-LOSJGSFVSA-N 0 3 517.091 4.314 1 0 in-vitro KIAFHN CN[C@@H](Cc1c(C)cc(OCc2ccccc2)cc1C)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1 ZINC000013735537 561725589 /nfs/dbraw/zinc/72/55/89/561725589.db2.gz OJUQZDCQNMKNFP-GIGWZHCTSA-N 0 3 501.671 4.267 1 0 KIAFHN COC(=O)/C=C/C(=O)Nc1cccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000013739971 561725800 /nfs/dbraw/zinc/72/58/00/561725800.db2.gz WMKQVFAINVHENN-BREAQWACSA-N 0 3 518.441 4.499 1 0 KIAFHN COC(=O)/C=C/C(=O)Nc1ccc([C@@H](CN2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013739973 561725820 /nfs/dbraw/zinc/72/58/20/561725820.db2.gz NPNHCVAIZCAWHO-HRBBJJPOSA-N 0 3 518.441 4.499 1 0 KIAFHN CN(C(=O)c1cccc(CN)c1)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@@H](CO)Cc1ccccc1 ZINC000013781190 561729350 /nfs/dbraw/zinc/72/93/50/561729350.db2.gz UWVSBSPAESNIEK-LOYHVIPDSA-N 0 3 509.650 4.044 1 0 KIAFHN COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3CN(C)C)nc(N)c2cc1OC ZINC000013782113 561729648 /nfs/dbraw/zinc/72/96/48/561729648.db2.gz PENQVTYQBISCOC-UHFFFAOYSA-N 0 3 508.667 4.060 1 0 KIAFHN COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC ZINC000013782116 561729661 /nfs/dbraw/zinc/72/96/61/561729661.db2.gz JSMDVVKGKQQXSH-UHFFFAOYSA-N 0 3 508.667 4.060 1 0 KIAFHN COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccc(CN(C)C)cc3)nc(N)c2cc1OC ZINC000013782118 561729623 /nfs/dbraw/zinc/72/96/23/561729623.db2.gz YOZQWOACJYQHRK-UHFFFAOYSA-N 0 3 508.667 4.060 1 0 KIAFHN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCN3CCCC3)c2)cc1 ZINC000013798173 561730186 /nfs/dbraw/zinc/73/01/86/561730186.db2.gz BCGHSMJUTFDZQE-WJOKGBTCSA-N 0 3 529.589 4.297 1 0 KIAFHN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cccc(OCCN3CCCC3)c2)cc1 ZINC000013798177 561730191 /nfs/dbraw/zinc/73/01/91/561730191.db2.gz BCGHSMJUTFDZQE-HKBQPEDESA-N 0 3 529.589 4.297 1 0 KIAFHN COc1ccc(NC(=O)N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 ZINC000013806212 561731393 /nfs/dbraw/zinc/73/13/93/561731393.db2.gz RXGJIWBUJGUKEZ-UHFFFAOYSA-N 0 3 522.669 4.240 1 0 KIAFHN COc1ccc(NC(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1N1CCN(C)CC1 ZINC000013806224 561731345 /nfs/dbraw/zinc/73/13/45/561731345.db2.gz FBHJLENKHMRXEZ-UHFFFAOYSA-N 0 3 508.642 4.069 1 0 KIAFHN CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)NC(=O)N1C ZINC000013809149 561731578 /nfs/dbraw/zinc/73/15/78/561731578.db2.gz ACXCLVVRXJUJEC-RUZDIDTESA-N 0 3 500.565 4.460 1 0 KIAFHN CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@H](c2ccc(F)c(F)c2)NC(=O)N1C ZINC000013809151 561731589 /nfs/dbraw/zinc/73/15/89/561731589.db2.gz ACXCLVVRXJUJEC-VWLOTQADSA-N 0 3 500.565 4.460 1 0 KIAFHN CC1=C(C(=O)NCCCN2CCC(c3ccc(F)cc3)CC2)[C@@H](c2ccc(F)c(F)c2)N(C)C(=O)N1 ZINC000013809194 561731750 /nfs/dbraw/zinc/73/17/50/561731750.db2.gz CHSVWGZALFVOMB-RUZDIDTESA-N 0 3 500.565 4.460 1 0 KIAFHN CCN(CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2ccc(Cl)cc2Cl)C1=O ZINC000013915652 561735710 /nfs/dbraw/zinc/73/57/10/561735710.db2.gz UGSJRBNHLQCZGX-OAQYLSRUSA-N 0 3 504.336 4.035 1 0 KIAFHN CCN(CCCN1CCC2(CC1)OCc1ccccc12)C(=O)[C@H](c1ccc(F)c(F)c1)N1CCCC1=O ZINC000013977480 561735882 /nfs/dbraw/zinc/73/58/82/561735882.db2.gz YFPQFEDZZVHPSB-MHZLTWQESA-N 0 3 511.613 4.388 1 0 KIAFHN CCOc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CCN(C)C4)C3)s2)c(Cl)c1 ZINC000013981373 561735990 /nfs/dbraw/zinc/73/59/90/561735990.db2.gz GRUXIYRSCHRZDE-MSOLQXFVSA-N 0 3 505.084 4.369 1 0 KIAFHN COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)OCc2ccccc23)[C@H]1c1ccc(F)c(F)c1 ZINC000014141336 561737112 /nfs/dbraw/zinc/73/71/12/561737112.db2.gz MVUYRJDAYOGRLE-VWLOTQADSA-N 0 3 554.594 4.099 1 0 KIAFHN O=C(Nc1ccc(Cl)cc1)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CN2CCCC2)C1=O ZINC000014262571 561738728 /nfs/dbraw/zinc/73/87/28/561738728.db2.gz MTFAIDSQJNWDLJ-WNCULLNHSA-N 0 3 532.044 4.129 1 0 KIAFHN O=C(Nc1ccc(Cl)cc1)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CN2CCCC2)C1=O ZINC000014262573 561738735 /nfs/dbraw/zinc/73/87/35/561738735.db2.gz MTFAIDSQJNWDLJ-HOFKKMOUSA-N 0 3 532.044 4.129 1 0 KIAFHN CC(C)[C@@H]1SCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942860 561740288 /nfs/dbraw/zinc/74/02/88/561740288.db2.gz QLFYYBGXVAYDRB-QWZPYLIWSA-N 0 3 577.857 4.326 1 0 KIAFHN CC(C)[C@H]1SCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942862 561740303 /nfs/dbraw/zinc/74/03/03/561740303.db2.gz QLFYYBGXVAYDRB-GSYGMJNASA-N 0 3 577.857 4.326 1 0 KIAFHN COC[C@@H]1SCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014943071 561740738 /nfs/dbraw/zinc/74/07/38/561740738.db2.gz TVASCYDFQDRAJE-PMJXQHFJSA-N 0 3 575.816 4.001 1 0 KIAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2CCC[C@@H]12 ZINC000014943073 561740700 /nfs/dbraw/zinc/74/07/00/561740700.db2.gz LUICRMGYHPZLQE-XUSCARPCSA-N 0 3 555.760 4.048 1 0 KIAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CC[C@H]2OCC[C@H]21 ZINC000014943074 561740799 /nfs/dbraw/zinc/74/07/99/561740799.db2.gz BXHKUQJOWIKKIH-LNDVOCBLSA-N 0 3 555.760 4.048 1 0 KIAFHN Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1F)C2=O ZINC000014950465 561745546 /nfs/dbraw/zinc/74/55/46/561745546.db2.gz JNQXDDWCPSDRRR-JOCHJYFZSA-N 0 3 552.610 4.480 1 0 KIAFHN CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCCN(C)C)cc4)c3)ncc2nc1-c1nonc1N ZINC000014954331 561747003 /nfs/dbraw/zinc/74/70/03/561747003.db2.gz NWBWONVMLBVLGB-UHFFFAOYSA-N 0 3 528.573 4.068 1 0 KIAFHN CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2s1 ZINC000014954583 561747148 /nfs/dbraw/zinc/74/71/48/561747148.db2.gz UHQRESAJKPGOHF-NXCFDTQHSA-N 0 3 540.689 4.028 1 0 KIAFHN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNC(C)(C)C(=O)NCC(C)C)c1 ZINC000014959561 561748249 /nfs/dbraw/zinc/74/82/49/561748249.db2.gz USWOYPKVOXJJPM-URLMMPGGSA-N 0 3 602.767 4.378 1 0 KIAFHN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2cc(O)nc2N)c1Cl ZINC000014963170 561748983 /nfs/dbraw/zinc/74/89/83/561748983.db2.gz YKHVIGACMSKZNP-UHFFFAOYSA-N 0 3 567.842 4.273 1 0 KIAFHN O=C1c2ccccc2C(=O)N1CCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014966862 561750085 /nfs/dbraw/zinc/75/00/85/561750085.db2.gz TXFGIQHSKUINRC-IBGZPJMESA-N 0 3 501.402 4.009 1 0 KIAFHN O=C1c2ccccc2C(=O)N1CCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014966866 561750050 /nfs/dbraw/zinc/75/00/50/561750050.db2.gz TXFGIQHSKUINRC-LJQANCHMSA-N 0 3 501.402 4.009 1 0 KIAFHN CCN(C)Cc1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1 ZINC000014969569 561750694 /nfs/dbraw/zinc/75/06/94/561750694.db2.gz AKDHCBCCGAELNG-UHFFFAOYSA-N 0 3 541.578 4.465 1 0 KIAFHN COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3CN(C)C)CC2)cc1 ZINC000014969608 561750854 /nfs/dbraw/zinc/75/08/54/561750854.db2.gz HGTRHZWAYWVDSC-UHFFFAOYSA-N 0 3 501.553 4.360 1 0 KIAFHN COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1 ZINC000014970392 561750970 /nfs/dbraw/zinc/75/09/70/561750970.db2.gz WWQWKRWAIHYINO-GDLZYMKVSA-N 0 3 577.689 4.450 1 0 KIAFHN O=S(=O)(c1ccccc1)N(Cc1ccccc1)[C@H]1CNC[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000016052392 561753889 /nfs/dbraw/zinc/75/38/89/561753889.db2.gz FEURULQIDNOEMF-KYJUHHDHSA-N 0 3 561.729 4.109 1 0 in-vitro KIAFHN CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc3N(C)S(=O)(=O)CC2 ZINC000016052623 561754019 /nfs/dbraw/zinc/75/40/19/561754019.db2.gz MSHYGGHZTGSTOG-LMSSTIIKSA-N 0 3 628.717 4.494 1 0 in-vitro KIAFHN CCN1CCN(CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020575953 561758702 /nfs/dbraw/zinc/75/87/02/561758702.db2.gz CNORBXIWMHGTOS-UHFFFAOYSA-N 0 3 538.737 4.053 1 0 KIAFHN COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C2CCCCC2)CC1)C(C)=O ZINC000022032974 561758823 /nfs/dbraw/zinc/75/88/23/561758823.db2.gz HCKQHXNWJMHBJT-MUUNZHRXSA-N 0 3 559.755 4.203 1 0 KIAFHN COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)Nc1ccccc1 ZINC000022795075 581097437 /nfs/dbraw/zinc/09/74/37/581097437.db2.gz JWXOLXZYHPKDLX-UHFFFAOYSA-N 0 3 555.687 4.459 1 0 KIAFHN COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccccc1 ZINC000022795088 581097382 /nfs/dbraw/zinc/09/73/82/581097382.db2.gz OKRHYXZXYNXSAO-UHFFFAOYSA-N 0 3 540.672 4.068 1 0 KIAFHN CCN1CCN(CCCNC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000022795278 561759543 /nfs/dbraw/zinc/75/95/43/561759543.db2.gz OWTSUFCOWGZCPK-UHFFFAOYSA-N 0 3 552.764 4.361 1 0 KIAFHN CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(CN4CCN(C)CC4)c2)n3C)ccn1 ZINC000022878358 561759503 /nfs/dbraw/zinc/75/95/03/561759503.db2.gz WGONGMOZFNXPIC-UHFFFAOYSA-N 0 3 520.037 4.265 1 0 KIAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(Br)cc1F ZINC000022925294 561759731 /nfs/dbraw/zinc/75/97/31/561759731.db2.gz ZTHXTCUTPBRCGU-UHFFFAOYSA-N 0 3 504.404 4.300 1 0 KIAFHN Cc1nc(N)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927081 561759872 /nfs/dbraw/zinc/75/98/72/561759872.db2.gz MPGURQFCCSFBHA-PXNSSMCTSA-N 0 3 518.628 4.456 1 0 KIAFHN CN1CCN(C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)C2)CC1 ZINC000022927749 561759956 /nfs/dbraw/zinc/75/99/56/561759956.db2.gz WTLKXSOKBFOIRJ-NDEPHWFRSA-N 0 3 515.529 4.376 1 0 KIAFHN CN1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(Cc4ccccc4)C3)C2)CC1 ZINC000022927753 561759841 /nfs/dbraw/zinc/75/98/41/561759841.db2.gz WTLKXSOKBFOIRJ-MUUNZHRXSA-N 0 3 515.529 4.376 1 0 KIAFHN O=C1CC[C@@](CCN2CC(N3CC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927771 561759925 /nfs/dbraw/zinc/75/99/25/561759925.db2.gz UXOFSGJDRPUGPP-KCWPFWIISA-N 0 3 502.486 4.195 1 0 KIAFHN O=C1CC[C@@](CCN2CC(N3CC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927775 561759897 /nfs/dbraw/zinc/75/98/97/561759897.db2.gz UXOFSGJDRPUGPP-HOFKKMOUSA-N 0 3 502.486 4.195 1 0 KIAFHN C[C@@H](CN1CCN(C[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927913 561760113 /nfs/dbraw/zinc/76/01/13/561760113.db2.gz WIPWYSHKEIYBJW-HFZDXXHNSA-N 0 3 503.518 4.419 1 0 KIAFHN C[C@H](CN1CCN(C[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927918 561760024 /nfs/dbraw/zinc/76/00/24/561760024.db2.gz WIPWYSHKEIYBJW-QFQXNSOFSA-N 0 3 503.518 4.419 1 0 KIAFHN C[C@@H](CN1CCN(C[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927921 561760105 /nfs/dbraw/zinc/76/01/05/561760105.db2.gz WIPWYSHKEIYBJW-LVXARBLLSA-N 0 3 503.518 4.419 1 0 KIAFHN C[C@H](CN1CCN(C[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000022927925 561760118 /nfs/dbraw/zinc/76/01/18/561760118.db2.gz WIPWYSHKEIYBJW-RLWLMLJZSA-N 0 3 503.518 4.419 1 0 KIAFHN C[C@@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928063 561760067 /nfs/dbraw/zinc/76/00/67/561760067.db2.gz IUKVLQBINGIVDU-HFZDXXHNSA-N 0 3 520.615 4.270 1 0 KIAFHN C[C@H](CN1CCN(C[C@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928068 561760210 /nfs/dbraw/zinc/76/02/10/561760210.db2.gz IUKVLQBINGIVDU-QFQXNSOFSA-N 0 3 520.615 4.270 1 0 KIAFHN C[C@@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928071 561760271 /nfs/dbraw/zinc/76/02/71/561760271.db2.gz IUKVLQBINGIVDU-LVXARBLLSA-N 0 3 520.615 4.270 1 0 KIAFHN C[C@H](CN1CCN(C[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000022928076 561760319 /nfs/dbraw/zinc/76/03/19/561760319.db2.gz IUKVLQBINGIVDU-RLWLMLJZSA-N 0 3 520.615 4.270 1 0 KIAFHN COc1cc2c(cc1OC)CN([C@@H]1CCCN(CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000022930497 561760306 /nfs/dbraw/zinc/76/03/06/561760306.db2.gz AVRLFPCOLFWWJA-JOCHJYFZSA-N 0 3 500.636 4.021 1 0 KIAFHN COc1cc2c(cc1OC)CN([C@H]1CCCN(CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000022930500 561760314 /nfs/dbraw/zinc/76/03/14/561760314.db2.gz AVRLFPCOLFWWJA-QFIPXVFZSA-N 0 3 500.636 4.021 1 0 KIAFHN Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](CN3CCN(CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933195 561760448 /nfs/dbraw/zinc/76/04/48/561760448.db2.gz OAVROFGVHVDBTQ-BVAGGSTKSA-N 0 3 501.458 4.319 1 0 KIAFHN Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](CN3CCN(CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933198 561760527 /nfs/dbraw/zinc/76/05/27/561760527.db2.gz OAVROFGVHVDBTQ-ZEQKJWHPSA-N 0 3 501.458 4.319 1 0 KIAFHN Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](CN3CCN(CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933202 561760402 /nfs/dbraw/zinc/76/04/02/561760402.db2.gz OAVROFGVHVDBTQ-OZXSUGGESA-N 0 3 501.458 4.319 1 0 KIAFHN Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](CN3CCN(CCc4ccccc4)CC3)O2)c(Cl)c1 ZINC000022933205 561760409 /nfs/dbraw/zinc/76/04/09/561760409.db2.gz OAVROFGVHVDBTQ-JYFHCDHNSA-N 0 3 501.458 4.319 1 0 KIAFHN COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000022933809 561760557 /nfs/dbraw/zinc/76/05/57/561760557.db2.gz ABQSJCCISLWTEW-UHFFFAOYSA-N 0 3 535.693 4.283 1 0 KIAFHN O[C@H](Cn1cnc2c1ncnc2-c1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937600 561760929 /nfs/dbraw/zinc/76/09/29/561760929.db2.gz GLSVGSFXOIVQAO-MHZLTWQESA-N 0 3 504.638 4.261 1 0 KIAFHN O[C@@H](Cn1cnc2c1ncnc2-c1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937604 561760852 /nfs/dbraw/zinc/76/08/52/561760852.db2.gz GLSVGSFXOIVQAO-HHHXNRCGSA-N 0 3 504.638 4.261 1 0 KIAFHN O[C@H](Cn1cnc2c1ncnc2-c1cccs1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937620 561760902 /nfs/dbraw/zinc/76/09/02/561760902.db2.gz MHBZKFBJJGEBGG-DEOSSOPVSA-N 0 3 510.667 4.323 1 0 KIAFHN O[C@H](Cn1cnc(-c2cccs2)c2ncnc1-2)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937624 561760839 /nfs/dbraw/zinc/76/08/39/561760839.db2.gz JHJXZPGLFYLGMZ-DEOSSOPVSA-N 0 3 510.667 4.275 1 0 KIAFHN O[C@H](Cn1cnc(-c2ccccc2)c2ncnc1-2)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937627 561760914 /nfs/dbraw/zinc/76/09/14/561760914.db2.gz QFTHCPHICSULPM-MHZLTWQESA-N 0 3 504.638 4.213 1 0 KIAFHN C=CC(=O)Nc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1cccc(Br)c1 ZINC000022939587 561760941 /nfs/dbraw/zinc/76/09/41/561760941.db2.gz IWAYNBDAXAGXQK-UHFFFAOYSA-N 0 3 525.451 4.277 1 0 KIAFHN CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000022941830 561761248 /nfs/dbraw/zinc/76/12/48/561761248.db2.gz ZAPMLUQRTGRJST-UHFFFAOYSA-N 0 3 517.465 4.189 1 0 KIAFHN Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(I)cc3)CC2)CC1 ZINC000022941880 561761229 /nfs/dbraw/zinc/76/12/29/561761229.db2.gz QRLCJGHAWBRZAF-UHFFFAOYSA-N 0 3 517.455 4.330 1 0 KIAFHN CN1CCN(CCCOc2cc3ncnc(Nc4c5c(ccc4Cl)OCO5)c3c(OC3CCOCC3)c2)CC1 ZINC000023358069 561762015 /nfs/dbraw/zinc/76/20/15/561762015.db2.gz NNTCPBYVAUSUOH-UHFFFAOYSA-N 0 3 556.063 4.330 1 0 KIAFHN CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)[nH]c3c2)ccn1 ZINC000023359451 561762205 /nfs/dbraw/zinc/76/22/05/561762205.db2.gz IAEHNTOVVLQNQX-UHFFFAOYSA-N 0 3 506.010 4.254 1 0 KIAFHN CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1 ZINC000023359451 561762204 /nfs/dbraw/zinc/76/22/04/561762204.db2.gz IAEHNTOVVLQNQX-UHFFFAOYSA-N 0 3 506.010 4.254 1 0 KIAFHN COc1ccc2nc(NCCCN3CCN(CCCNc4nc5ccc(OC)nc5n5cccc45)CC3)c3cccn3c2n1 ZINC000026145906 561767153 /nfs/dbraw/zinc/76/71/53/561767153.db2.gz ASVAHVSIHWFZQT-UHFFFAOYSA-N 0 3 594.724 4.017 1 0 KIAFHN c1cc2c(NCCCN3CCN(CCCNc4nc5cccnc5n5cccc45)CC3)nc3cccnc3n2c1 ZINC000026145914 561767168 /nfs/dbraw/zinc/76/71/68/561767168.db2.gz KDRFZFGRUBLJBS-UHFFFAOYSA-N 0 3 534.672 4.000 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN3CCC[C@H]3Cc3ccccn3)c2=O)c1 ZINC000026165433 561769068 /nfs/dbraw/zinc/76/90/68/561769068.db2.gz ZDCWXVJQXPCCNL-DEOSSOPVSA-N 0 3 546.618 4.423 1 0 KIAFHN COc1ccc(OC[C@@H](O)CN2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000026166538 561769290 /nfs/dbraw/zinc/76/92/90/561769290.db2.gz FPNLFNVLKBNJOP-VWLOTQADSA-N 0 3 508.590 4.394 1 0 KIAFHN COc1ccc(OC[C@H](O)CN2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000026166542 561769357 /nfs/dbraw/zinc/76/93/57/561769357.db2.gz FPNLFNVLKBNJOP-RUZDIDTESA-N 0 3 508.590 4.394 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN3CCC[C@@H]3Cc3ccccn3)c2=O)c1 ZINC000026168963 561769581 /nfs/dbraw/zinc/76/95/81/561769581.db2.gz ZDCWXVJQXPCCNL-XMMPIXPASA-N 0 3 546.618 4.423 1 0 KIAFHN CCc1c(-c2cccc(OC)c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000026174142 561770619 /nfs/dbraw/zinc/77/06/19/561770619.db2.gz CEBFWYFIGNGBJH-UHFFFAOYSA-N 0 3 534.607 4.144 1 0 KIAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 ZINC000026183062 561772084 /nfs/dbraw/zinc/77/20/84/561772084.db2.gz BQMLMSARZMEBIQ-PMERELPUSA-N 0 3 590.656 4.198 1 0 KIAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 ZINC000026184944 561772423 /nfs/dbraw/zinc/77/24/23/561772423.db2.gz XKIAIGOKZQNHID-PMERELPUSA-N 0 3 572.666 4.059 1 0 KIAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 ZINC000026186522 561772763 /nfs/dbraw/zinc/77/27/63/561772763.db2.gz XQALMABJADZMJQ-LJAQVGFWSA-N 0 3 558.639 4.135 1 0 KIAFHN COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)[N-]c4ccc(CC[NH2+]C[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F ZINC000026186979 561772768 /nfs/dbraw/zinc/77/27/68/561772768.db2.gz TYRWFUXOSSJFMQ-LJAQVGFWSA-N 0 3 588.665 4.144 1 0 KIAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 ZINC000026187697 561772807 /nfs/dbraw/zinc/77/28/07/561772807.db2.gz WHTFIFFVTHLNDG-LJAQVGFWSA-N 0 3 576.629 4.274 1 0 KIAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 ZINC000026247582 561773654 /nfs/dbraw/zinc/77/36/54/561773654.db2.gz CJKJKGXQVYGNAU-PMERELPUSA-N 0 3 590.656 4.198 1 0 KIAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 ZINC000026249531 561773911 /nfs/dbraw/zinc/77/39/11/561773911.db2.gz YMJNZSRXRGBYCR-PMERELPUSA-N 0 3 606.655 4.186 1 0 KIAFHN CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)COc3cccnc3)cc2)cc1 ZINC000026251525 561774247 /nfs/dbraw/zinc/77/42/47/561774247.db2.gz NOBXTXIDJTUPFU-SANMLTNESA-N 0 3 569.728 4.156 1 0 KIAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 ZINC000026252797 561774424 /nfs/dbraw/zinc/77/44/24/561774424.db2.gz OGAMFQMNCVZDFQ-PMERELPUSA-N 0 3 572.666 4.059 1 0 KIAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 ZINC000026254840 561774709 /nfs/dbraw/zinc/77/47/09/561774709.db2.gz FASMAUWLJXUAIL-PMERELPUSA-N 0 3 608.646 4.337 1 0 KIAFHN O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 ZINC000026254966 561774733 /nfs/dbraw/zinc/77/47/33/561774733.db2.gz VPWYLAXSAWMVAG-LJAQVGFWSA-N 0 3 558.639 4.135 1 0 KIAFHN COc1ccccc1OCCN1CCN(c2cnn(CCCCCCN3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026255102 561774754 /nfs/dbraw/zinc/77/47/54/561774754.db2.gz OHVZDCSFRWEXIX-UHFFFAOYSA-N 0 3 639.241 4.498 1 0 KIAFHN CCCCOc1ccc(S(=O)(=O)N2CC[C@@H](NC[C@H](O)COc3cccc4[nH]c5ccccc5c43)C2)cc1 ZINC000026258103 561775079 /nfs/dbraw/zinc/77/50/79/561775079.db2.gz MBYVFRIMCDYULB-YADHBBJMSA-N 0 3 537.682 4.293 1 0 KIAFHN CCCCOc1ccc(S(=O)(=O)N2CC[C@H](NC[C@H](O)COc3cccc4[nH]c5ccccc5c43)C2)cc1 ZINC000026258112 561775139 /nfs/dbraw/zinc/77/51/39/561775139.db2.gz MBYVFRIMCDYULB-VXKWHMMOSA-N 0 3 537.682 4.293 1 0 KIAFHN COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCCCCCCN3CCN(c4ccccc4OC)CC3)n2)CC1 ZINC000026260784 561775435 /nfs/dbraw/zinc/77/54/35/561775435.db2.gz BMFAPCULDYLMPQ-UHFFFAOYSA-N 0 3 618.823 4.234 1 0 KIAFHN COc1ccccc1OCCN1CCN(c2cnn(CCCCCN3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026262175 561775844 /nfs/dbraw/zinc/77/58/44/561775844.db2.gz NFJIMCVKJFRLCU-UHFFFAOYSA-N 0 3 625.214 4.107 1 0 KIAFHN COc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN5CCN(C)CC5)n(C)c4)n(CCC(C)C)c3)n(C)c2)c1 ZINC000026263565 561775950 /nfs/dbraw/zinc/77/59/50/561775950.db2.gz NBIJLPPJAGKKIV-UHFFFAOYSA-N 0 3 713.884 4.344 1 0 KIAFHN CC(C)[C@@H]1NC(=O)CCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276777 561778481 /nfs/dbraw/zinc/77/84/81/561778481.db2.gz NLFSULIAFLPDQL-FVDMJMFVSA-N 0 3 626.883 4.354 1 0 KIAFHN CC(C)[C@@H]1NC(=O)CCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276782 561778523 /nfs/dbraw/zinc/77/85/23/561778523.db2.gz NLFSULIAFLPDQL-RVGVYMJNSA-N 0 3 626.883 4.354 1 0 KIAFHN CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026290163 561780546 /nfs/dbraw/zinc/78/05/46/561780546.db2.gz GRKWALBGUZROQR-YJCLFGMUSA-N 0 3 676.899 4.486 1 0 KIAFHN CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026290168 561780520 /nfs/dbraw/zinc/78/05/20/561780520.db2.gz GRKWALBGUZROQR-MRUVNSNJSA-N 0 3 676.899 4.486 1 0 KIAFHN CC(C)[C@@H]1NC(=O)/C=C\CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295800 561781536 /nfs/dbraw/zinc/78/15/36/561781536.db2.gz QTAYUWFZSBEHPK-XEGYTTTESA-N 0 3 624.867 4.130 1 0 KIAFHN CC(C)[C@@H]1NC(=O)/C=C\CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295805 561781443 /nfs/dbraw/zinc/78/14/43/561781443.db2.gz QTAYUWFZSBEHPK-JHUNIZGFSA-N 0 3 624.867 4.130 1 0 KIAFHN CC1(C)[C@@]2(C)CC[C@]1(C(=O)O[C@@H]1c3c(ccc4cc(CN)c(=O)oc43)OC(C)(C)[C@@H]1OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)OC2=O ZINC000026376531 561782192 /nfs/dbraw/zinc/78/21/92/561782192.db2.gz NMSGTRRLTOSFHC-LJOHMEHOSA-N 0 3 651.709 4.163 1 0 KIAFHN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCCNCc1ccccc1 ZINC000026380613 561783375 /nfs/dbraw/zinc/78/33/75/561783375.db2.gz PNZZCQMJGBNHBM-ZEQRLZLVSA-N 0 3 564.818 4.001 1 0 KIAFHN CC(C)[C@H](NC(=O)c1cc(=O)c2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026386231 561784409 /nfs/dbraw/zinc/78/44/09/561784409.db2.gz KECQKQUDKBXADS-YYOAKOJNSA-N 0 3 672.867 4.431 1 0 KIAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCOC1 ZINC000026386685 561784545 /nfs/dbraw/zinc/78/45/45/561784545.db2.gz JPWJMZNJZWAWDA-UEMRSFKDSA-N 0 3 683.894 4.254 1 0 KIAFHN CC(C)[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026391582 561785958 /nfs/dbraw/zinc/78/59/58/561785958.db2.gz COYUFXKETXXNHC-RTNFZYQOSA-N 0 3 656.872 4.268 1 0 KIAFHN CCOC(=O)C[C@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21 ZINC000026393926 561786349 /nfs/dbraw/zinc/78/63/49/561786349.db2.gz IGKWNYOELQVDDA-RPLLCQBOSA-N 0 3 533.713 4.232 1 0 KIAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCOC1 ZINC000026395605 561786956 /nfs/dbraw/zinc/78/69/56/561786956.db2.gz JPWJMZNJZWAWDA-DRNYJLRZSA-N 0 3 683.894 4.254 1 0 KIAFHN Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000026400228 561788062 /nfs/dbraw/zinc/78/80/62/561788062.db2.gz FYXKKUVBYAGWKK-VIJVRHQBSA-N 0 3 530.713 4.100 1 0 KIAFHN CCOC(=O)C[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21 ZINC000026403297 561788907 /nfs/dbraw/zinc/78/89/07/561788907.db2.gz IGKWNYOELQVDDA-SHQCIBLASA-N 0 3 533.713 4.232 1 0 KIAFHN COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(C(N)=O)CC2)cc(OC)c1 ZINC000026490480 561793287 /nfs/dbraw/zinc/79/32/87/561793287.db2.gz PXAKOKFPCUPIFG-UHFFFAOYSA-N 0 3 504.027 4.069 1 0 KIAFHN COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(NC(N)=O)CC2)cc(OC)c1 ZINC000026493576 561793899 /nfs/dbraw/zinc/79/38/99/561793899.db2.gz VVTJYRRXWKHAFQ-UHFFFAOYSA-N 0 3 519.042 4.004 1 0 KIAFHN O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000026495274 561794174 /nfs/dbraw/zinc/79/41/74/561794174.db2.gz YAWRIOMDGOIDPB-SANMLTNESA-N 0 3 591.656 4.333 1 0 KIAFHN CCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026497179 561794600 /nfs/dbraw/zinc/79/46/00/561794600.db2.gz LQACCDOIKFQVHE-XMMPIXPASA-N 0 3 501.693 4.424 1 0 KIAFHN CCOC(=O)N(CC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026498441 561794804 /nfs/dbraw/zinc/79/48/04/561794804.db2.gz FUUQBKMKRDQXBE-XMMPIXPASA-N 0 3 501.693 4.424 1 0 KIAFHN CN(C[C@@H](CCN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026501090 561795454 /nfs/dbraw/zinc/79/54/54/561795454.db2.gz SBGKQWHYEYPEJC-HSZRJFAPSA-N 0 3 501.693 4.470 1 0 KIAFHN CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O ZINC000026502514 561795818 /nfs/dbraw/zinc/79/58/18/561795818.db2.gz OGVAHHQQCDBLHT-NDEPHWFRSA-N 0 3 579.723 4.097 1 0 KIAFHN COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCC(CNS(C)(=O)=O)CC2)cc(OC)c1 ZINC000026502745 561795876 /nfs/dbraw/zinc/79/58/76/561795876.db2.gz JJZGSNYEWTXLDC-UHFFFAOYSA-N 0 3 568.136 4.133 1 0 KIAFHN CN(C)CCc1c2cc(CCN3C(=O)N(C)[C@@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1N ZINC000026508350 561796968 /nfs/dbraw/zinc/79/69/68/561796968.db2.gz XTIXVUPQQCGCGV-XIFFEERXSA-N 0 3 566.706 4.136 1 0 KIAFHN CN(C)CCc1c2cc(CCN3C(=O)N(C)[C@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1N ZINC000026508355 561796975 /nfs/dbraw/zinc/79/69/75/561796975.db2.gz XTIXVUPQQCGCGV-MGBGTMOVSA-N 0 3 566.706 4.136 1 0 KIAFHN CN(C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000026566853 561797201 /nfs/dbraw/zinc/79/72/01/561797201.db2.gz OMGHICHTGDYFBH-UHFFFAOYSA-N 0 3 544.483 4.382 1 0 KIAFHN CN(C)CCc1c2cc(CCN3C(=O)N[C@@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1 ZINC000026567097 561797275 /nfs/dbraw/zinc/79/72/75/561797275.db2.gz DVIQWYZZFHGVAM-YTTGMZPUSA-N 0 3 537.664 4.212 1 0 KIAFHN CN(C)CCc1c2cc(CCN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc2[nH]c1C(=O)NCc1ccccc1 ZINC000026567101 561797258 /nfs/dbraw/zinc/79/72/58/561797258.db2.gz DVIQWYZZFHGVAM-JGCGQSQUSA-N 0 3 537.664 4.212 1 0 KIAFHN CN(C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000026568138 561797551 /nfs/dbraw/zinc/79/75/51/561797551.db2.gz CYQJVGNTMOGXHH-UHFFFAOYSA-N 0 3 543.590 4.094 1 0 KIAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000026572409 561798301 /nfs/dbraw/zinc/79/83/01/561798301.db2.gz LNHYSNXQZLAEBY-XGPKXWGSSA-N 0 3 577.766 4.139 1 0 KIAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000026572412 561798246 /nfs/dbraw/zinc/79/82/46/561798246.db2.gz LNHYSNXQZLAEBY-SZGBFMHYSA-N 0 3 577.766 4.139 1 0 KIAFHN O=S(=O)(/C=C/c1ccccc1)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000026576201 561799948 /nfs/dbraw/zinc/79/99/48/561799948.db2.gz SESKVQMFQQJZPS-SRZZPIQSSA-N 0 3 528.122 4.288 1 0 KIAFHN O[C@H](Cn1cnc2c1ncnc2Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576772 561800583 /nfs/dbraw/zinc/80/05/83/561800583.db2.gz FFQQYRUJLMJMJO-NDEPHWFRSA-N 0 3 518.665 4.185 1 0 KIAFHN O[C@@H](Cn1cnc2c1ncnc2Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576773 561800572 /nfs/dbraw/zinc/80/05/72/561800572.db2.gz FFQQYRUJLMJMJO-MUUNZHRXSA-N 0 3 518.665 4.185 1 0 KIAFHN O[C@H](Cn1cnc2c1nc(C(F)(F)F)nc2-n1cccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577054 561800961 /nfs/dbraw/zinc/80/09/61/561800961.db2.gz VFBXJCJEIYPTQK-DEOSSOPVSA-N 0 3 561.612 4.404 1 0 KIAFHN COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000026577131 561801101 /nfs/dbraw/zinc/80/11/01/561801101.db2.gz GAXLRXULFOLZRA-UHFFFAOYSA-N 0 3 611.006 4.448 1 0 KIAFHN Cc1ccc(C)n1-c1ncnc2c1ncn2C[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577760 561802356 /nfs/dbraw/zinc/80/23/56/561802356.db2.gz OHZOWCKWVXSRPN-MHZLTWQESA-N 0 3 521.669 4.002 1 0 KIAFHN Cc1ccc(C)n1-c1ncnc2c1ncn2C[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026577761 561802337 /nfs/dbraw/zinc/80/23/37/561802337.db2.gz OHZOWCKWVXSRPN-HHHXNRCGSA-N 0 3 521.669 4.002 1 0 KIAFHN O=S(=O)(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(Cl)cc1 ZINC000026577984 561802616 /nfs/dbraw/zinc/80/26/16/561802616.db2.gz KUCBABYXIBSDJB-UHFFFAOYSA-N 0 3 536.529 4.330 1 0 KIAFHN CN(C)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026578673 561803651 /nfs/dbraw/zinc/80/36/51/561803651.db2.gz AXMFPMPIDBXVKP-JJVXONKQSA-N 0 3 558.597 4.360 1 0 KIAFHN CN(C)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026578674 561803670 /nfs/dbraw/zinc/80/36/70/561803670.db2.gz AXMFPMPIDBXVKP-NMWVFERUSA-N 0 3 558.597 4.360 1 0 KIAFHN COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026578905 561803907 /nfs/dbraw/zinc/80/39/07/561803907.db2.gz PCJZMPHSEHTGOD-UHFFFAOYSA-N 0 3 589.158 4.387 1 0 KIAFHN CC(C)[C@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026637556 561806071 /nfs/dbraw/zinc/80/60/71/561806071.db2.gz CBCIPSNAUOZRBK-PQHLKRTFSA-N 0 3 595.748 4.273 1 0 KIAFHN CC(C)[C@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026637556 561806069 /nfs/dbraw/zinc/80/60/69/561806069.db2.gz CBCIPSNAUOZRBK-PQHLKRTFSA-N 0 3 595.748 4.273 1 0 KIAFHN NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000026645179 561807396 /nfs/dbraw/zinc/80/73/96/561807396.db2.gz DYGGRLNAYUSQCM-UHFFFAOYSA-N 0 3 548.687 4.076 1 0 KIAFHN C[C@@H](O)CC[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026645449 561807425 /nfs/dbraw/zinc/80/74/25/561807425.db2.gz SEYHFGDVCNIPSW-SKCUWOTOSA-N 0 3 581.721 4.027 1 0 KIAFHN C[C@@H](O)CC[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026645449 561807423 /nfs/dbraw/zinc/80/74/23/561807423.db2.gz SEYHFGDVCNIPSW-SKCUWOTOSA-N 0 3 581.721 4.027 1 0 KIAFHN CO[C@H](C)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026645457 561807384 /nfs/dbraw/zinc/80/73/84/561807384.db2.gz DTSAZXRLJCWLGE-SKCUWOTOSA-N 0 3 581.721 4.291 1 0 KIAFHN CO[C@H](C)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026645457 561807381 /nfs/dbraw/zinc/80/73/81/561807381.db2.gz DTSAZXRLJCWLGE-SKCUWOTOSA-N 0 3 581.721 4.291 1 0 KIAFHN CN(C[C@@H](CCN1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000026648233 561807954 /nfs/dbraw/zinc/80/79/54/561807954.db2.gz BSJHGNMECRNXFH-RJNCKGSUSA-N 0 3 566.745 4.365 1 0 KIAFHN CN(C[C@@H](CCN1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000026648238 561807923 /nfs/dbraw/zinc/80/79/23/561807923.db2.gz BSJHGNMECRNXFH-MYCMVYEHSA-N 0 3 566.745 4.365 1 0 KIAFHN CC(=O)O[C@@H](C)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026653389 561808802 /nfs/dbraw/zinc/80/88/02/561808802.db2.gz VQISMLUSPXOSFO-PZGXJGMVSA-N 0 3 609.731 4.208 1 0 KIAFHN CC(=O)O[C@@H](C)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026653389 561808800 /nfs/dbraw/zinc/80/88/00/561808800.db2.gz VQISMLUSPXOSFO-PZGXJGMVSA-N 0 3 609.731 4.208 1 0 KIAFHN CC(C)[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026653579 561808877 /nfs/dbraw/zinc/80/88/77/561808877.db2.gz CBCIPSNAUOZRBK-DGPALRBDSA-N 0 3 595.748 4.273 1 0 KIAFHN CC(C)[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026653579 561808876 /nfs/dbraw/zinc/80/88/76/561808876.db2.gz CBCIPSNAUOZRBK-DGPALRBDSA-N 0 3 595.748 4.273 1 0 KIAFHN CC(C)(O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026654494 561809038 /nfs/dbraw/zinc/80/90/38/561809038.db2.gz HJICRDRQMPVABL-HHHXNRCGSA-N 0 3 581.721 4.027 1 0 KIAFHN CC(C)(O)C[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026654494 561809036 /nfs/dbraw/zinc/80/90/36/561809036.db2.gz HJICRDRQMPVABL-HHHXNRCGSA-N 0 3 581.721 4.027 1 0 KIAFHN C[C@H](O)CC[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026657343 561809677 /nfs/dbraw/zinc/80/96/77/561809677.db2.gz SEYHFGDVCNIPSW-RBISFHTESA-N 0 3 581.721 4.027 1 0 KIAFHN C[C@H](O)CC[NH2+]C(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026657343 561809675 /nfs/dbraw/zinc/80/96/75/561809675.db2.gz SEYHFGDVCNIPSW-RBISFHTESA-N 0 3 581.721 4.027 1 0 KIAFHN CC(C)(C)NC(=O)[C@H]1N(C(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](N)Cc2ccccc2)CSC1(C)C ZINC000026658246 561809812 /nfs/dbraw/zinc/80/98/12/561809812.db2.gz UNTLRFCTRZUJID-FDFHNCONSA-N 0 3 532.106 4.030 1 0 KIAFHN O=[S@@]1CC2(CCN(C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 ZINC000026661728 561810363 /nfs/dbraw/zinc/81/03/63/561810363.db2.gz IUMHTNIGQVOIEZ-BJQOOGECSA-N 0 3 520.720 4.246 1 0 KIAFHN O=[S@]1CC2(CCN(C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3c3ccccc3)CC2)c2ccccc21 ZINC000026661734 561810315 /nfs/dbraw/zinc/81/03/15/561810315.db2.gz IUMHTNIGQVOIEZ-GYPONFHGSA-N 0 3 520.720 4.246 1 0 KIAFHN CN1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1 ZINC000026665321 561811043 /nfs/dbraw/zinc/81/10/43/561811043.db2.gz PWVZGBVCDDZZNQ-QHCPKHFHSA-N 0 3 558.510 4.384 1 0 KIAFHN O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCCOc2ccc(Cl)cc2CN1 ZINC000026666510 561811321 /nfs/dbraw/zinc/81/13/21/561811321.db2.gz BKMLZHDSJSJXNS-QFIPXVFZSA-N 0 3 544.483 4.042 1 0 KIAFHN CSC(=N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 ZINC000026674663 561813603 /nfs/dbraw/zinc/81/36/03/561813603.db2.gz GAGHIAAADSEPRP-NZHOUOPXSA-N 0 3 502.640 4.282 1 0 KIAFHN O=C(CN1CCCCC1)Nc1cc(CN2CCN(CCO)CC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026721165 561815179 /nfs/dbraw/zinc/81/51/79/561815179.db2.gz CZQSONVHXQDMEG-UHFFFAOYSA-N 0 3 537.108 4.166 1 0 KIAFHN Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC2)cn3-c2ccc(F)cc2)n1 ZINC000026721222 561815201 /nfs/dbraw/zinc/81/52/01/561815201.db2.gz SQHPLCBBYWXCOO-UHFFFAOYSA-N 0 3 563.637 4.448 1 0 KIAFHN CC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026735084 561817282 /nfs/dbraw/zinc/81/72/82/561817282.db2.gz FSZBMUOHARLJDN-AEAWEUCCSA-N 0 3 636.903 4.308 1 0 KIAFHN CC(C)([NH3+])CC(=O)O[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026828183 561822345 /nfs/dbraw/zinc/82/23/45/561822345.db2.gz MDJDCCDZQJLARD-RUZDIDTESA-N 0 3 510.598 4.052 1 0 KIAFHN CC(C)([NH3+])CC(=O)O[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026828183 561822344 /nfs/dbraw/zinc/82/23/44/561822344.db2.gz MDJDCCDZQJLARD-RUZDIDTESA-N 0 3 510.598 4.052 1 0 KIAFHN CC(C)([NH3+])CC(=O)O[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026828188 561822382 /nfs/dbraw/zinc/82/23/82/561822382.db2.gz MDJDCCDZQJLARD-VWLOTQADSA-N 0 3 510.598 4.052 1 0 KIAFHN CC(C)([NH3+])CC(=O)O[C@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026828188 561822381 /nfs/dbraw/zinc/82/23/81/561822381.db2.gz MDJDCCDZQJLARD-VWLOTQADSA-N 0 3 510.598 4.052 1 0 KIAFHN CCCCN[C@@H](C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000026828276 561822374 /nfs/dbraw/zinc/82/23/74/561822374.db2.gz OGBBCDCRCVTNKS-YQYWCZHNSA-N 0 3 701.909 4.241 1 0 KIAFHN O=C(OCc1ccccc1)c1cc2c(ccc3c2O[C@H](CN2CCC4(CC2)C(=O)NCN4c2ccccc2)CO3)[nH]1 ZINC000026834937 561824003 /nfs/dbraw/zinc/82/40/03/561824003.db2.gz DQQCWQGYIUCCKR-XMMPIXPASA-N 0 3 552.631 4.093 1 0 KIAFHN O=C(OCc1ccccc1)c1cc2c(ccc3c2O[C@@H](CN2CCC4(CC2)C(=O)NCN4c2ccccc2)CO3)[nH]1 ZINC000026834941 561824019 /nfs/dbraw/zinc/82/40/19/561824019.db2.gz DQQCWQGYIUCCKR-DEOSSOPVSA-N 0 3 552.631 4.093 1 0 KIAFHN O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1 ZINC000026835506 561824223 /nfs/dbraw/zinc/82/42/23/561824223.db2.gz OQCZSKDYAKSTBO-LJAQVGFWSA-N 0 3 559.692 4.112 1 0 KIAFHN COc1cc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H](N)CCC3CCCCC3)cc2)cc(OC)c1OC ZINC000026937373 561827622 /nfs/dbraw/zinc/82/76/22/561827622.db2.gz IMGVCZSILLUKID-NQTJHPBVSA-N 0 3 525.646 4.352 1 0 KIAFHN CCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 ZINC000026938296 561827867 /nfs/dbraw/zinc/82/78/67/561827867.db2.gz RSKTZPYYFJYNFU-DZVDWBIPSA-N 0 3 527.665 4.031 1 0 KIAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026938367 561827887 /nfs/dbraw/zinc/82/78/87/561827887.db2.gz LYMBPRXTWAXSBF-YCXOGWGTSA-N 0 3 501.712 4.279 1 0 KIAFHN CCCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 ZINC000026940898 561828071 /nfs/dbraw/zinc/82/80/71/561828071.db2.gz XNAWXRGPRKPPIN-RVLOQZQWSA-N 0 3 541.692 4.422 1 0 KIAFHN O=C1[C@H](Cc2c[nH]c3ccccc23)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C(=O)N1C1CC[NH2+]CC1 ZINC000026944669 561828312 /nfs/dbraw/zinc/82/83/12/561828312.db2.gz HFIJMFZISRFTEP-NDEPHWFRSA-N 0 3 546.635 4.143 1 0 KIAFHN O=C1[C@H](Cc2c[nH]c3ccccc23)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C(=O)N1C1CC[NH2+]CC1 ZINC000026944669 561828309 /nfs/dbraw/zinc/82/83/09/561828309.db2.gz HFIJMFZISRFTEP-NDEPHWFRSA-N 0 3 546.635 4.143 1 0 KIAFHN COc1cc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H](N)CC3CCCCC3)cc2C)cc(OC)c1OC ZINC000026952821 561828920 /nfs/dbraw/zinc/82/89/20/561828920.db2.gz LTZXDECRCSVHPT-SLIBRYMCSA-N 0 3 525.646 4.270 1 0 KIAFHN CN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)[C@@H](CCc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000026953244 561829075 /nfs/dbraw/zinc/82/90/75/561829075.db2.gz PJXGWCNQGCILPB-HHHXNRCGSA-N 0 3 539.684 4.127 1 0 KIAFHN CN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)[C@@H](CCc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000026953244 561829074 /nfs/dbraw/zinc/82/90/74/561829074.db2.gz PJXGWCNQGCILPB-HHHXNRCGSA-N 0 3 539.684 4.127 1 0 KIAFHN CCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 ZINC000026954226 561829064 /nfs/dbraw/zinc/82/90/64/561829064.db2.gz UWPULSYJZRDDKB-YIAOTGBYSA-N 0 3 556.707 4.214 1 0 KIAFHN C[NH+](C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=S ZINC000026967221 561830010 /nfs/dbraw/zinc/83/00/10/561830010.db2.gz BPIFMFOICGHTGU-MHZLTWQESA-N 0 3 539.709 4.416 1 0 KIAFHN C[NH+](C)CCCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=S ZINC000026967221 561830008 /nfs/dbraw/zinc/83/00/08/561830008.db2.gz BPIFMFOICGHTGU-MHZLTWQESA-N 0 3 539.709 4.416 1 0 KIAFHN CC[C@@H](NC(=O)CC(C)(C)[NH3+])C(=O)N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1 ZINC000026973714 561830678 /nfs/dbraw/zinc/83/06/78/561830678.db2.gz RMPSQAHSYXLZLX-RUZDIDTESA-N 0 3 511.630 4.089 1 0 KIAFHN CC[C@@H](NC(=O)CC(C)(C)[NH3+])C(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1 ZINC000026973714 561830676 /nfs/dbraw/zinc/83/06/76/561830676.db2.gz RMPSQAHSYXLZLX-RUZDIDTESA-N 0 3 511.630 4.089 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)CN(C)CCc3ccccn3)c2=O)c1 ZINC000026984254 561831635 /nfs/dbraw/zinc/83/16/35/561831635.db2.gz GNENPVYUZQIQKL-FQEVSTJZSA-N 0 3 534.607 4.451 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CN(C)CCc3ccccn3)c2=O)c1 ZINC000026984603 561831764 /nfs/dbraw/zinc/83/17/64/561831764.db2.gz GNENPVYUZQIQKL-HXUWFJFHSA-N 0 3 534.607 4.451 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)N(C)CCc3ccccn3)c2=O)c1 ZINC000026988824 561832313 /nfs/dbraw/zinc/83/23/13/561832313.db2.gz OFKJZTZWKLEUHT-HXUWFJFHSA-N 0 3 534.607 4.279 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)N(C)CCc3ccccn3)c2=O)c1 ZINC000026988832 561832254 /nfs/dbraw/zinc/83/22/54/561832254.db2.gz OFKJZTZWKLEUHT-FQEVSTJZSA-N 0 3 534.607 4.279 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H]3CCN(CCc4ccccn4)C3)c2=O)c1 ZINC000026989341 561832279 /nfs/dbraw/zinc/83/22/79/561832279.db2.gz BWXKRPNZKGJTSE-HSZRJFAPSA-N 0 3 532.591 4.205 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H]3CCN(CCc4ccccn4)C3)c2=O)c1 ZINC000026989347 561832260 /nfs/dbraw/zinc/83/22/60/561832260.db2.gz BWXKRPNZKGJTSE-QHCPKHFHSA-N 0 3 532.591 4.205 1 0 KIAFHN CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027083700 581099139 /nfs/dbraw/zinc/09/91/39/581099139.db2.gz ZAAHWJMMDZYDIP-KZUJILONSA-N 0 3 575.794 4.166 1 0 KIAFHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027083707 561835633 /nfs/dbraw/zinc/83/56/33/561835633.db2.gz ZAAHWJMMDZYDIP-VRAYGLINSA-N 0 3 575.794 4.166 1 0 KIAFHN CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2CN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027083715 581099113 /nfs/dbraw/zinc/09/91/13/581099113.db2.gz ZAAHWJMMDZYDIP-GQANVBLGSA-N 0 3 575.794 4.166 1 0 KIAFHN COc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(C(=O)c4ccco4)CC3)c2=O)CC1 ZINC000027109063 561840835 /nfs/dbraw/zinc/84/08/35/561840835.db2.gz IEQYKKSEYPPICP-UHFFFAOYSA-N 0 3 597.160 4.233 1 0 KIAFHN COCCOc1cc2c(cc1OCCN1CCCC1)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027209560 561846821 /nfs/dbraw/zinc/84/68/21/561846821.db2.gz MNVYQZRCGVZHNJ-UHFFFAOYSA-N 0 3 578.714 4.271 1 0 KIAFHN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCCCC1 ZINC000027308565 561850246 /nfs/dbraw/zinc/85/02/46/561850246.db2.gz PVOJBWXSEVHOGU-UHFFFAOYSA-N 0 3 639.182 4.390 1 0 KIAFHN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCCN1CCCCC1 ZINC000027316038 561851666 /nfs/dbraw/zinc/85/16/66/561851666.db2.gz ZGVUNMXEMICPBC-UHFFFAOYSA-N 0 3 649.756 4.223 1 0 KIAFHN CC(=O)O[C@@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027519061 561862876 /nfs/dbraw/zinc/86/28/76/561862876.db2.gz CHLPDEFWWDFEPA-HSZRJFAPSA-N 0 3 538.624 4.062 1 0 KIAFHN CC(=O)O[C@H](CSc1ncnc2[n-]cnc21)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027519062 561862887 /nfs/dbraw/zinc/86/28/87/561862887.db2.gz CHLPDEFWWDFEPA-QHCPKHFHSA-N 0 3 538.624 4.062 1 0 KIAFHN COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000027526578 561866434 /nfs/dbraw/zinc/86/64/34/561866434.db2.gz YPRBAEIXVWNGTP-RUZDIDTESA-N 0 3 583.085 4.160 1 0 KIAFHN COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1cccc(Cl)c1 ZINC000027526580 561866348 /nfs/dbraw/zinc/86/63/48/561866348.db2.gz YPRBAEIXVWNGTP-VWLOTQADSA-N 0 3 583.085 4.160 1 0 KIAFHN COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027527077 561866550 /nfs/dbraw/zinc/86/65/50/561866550.db2.gz FUAZJQZXKXKCSP-RUZDIDTESA-N 0 3 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/nfs/dbraw/zinc/89/52/50/561895250.db2.gz IXEYLCQSFFPEAX-YECVLQETSA-N 0 3 529.791 4.013 1 0 KIAFHN Clc1ccc(N2CCN(c3nc(Cc4ccc5ccccc5c4)nc(N4CCNCC4)n3)CC2)cc1 ZINC000028004469 561895346 /nfs/dbraw/zinc/89/53/46/561895346.db2.gz LYYKUBWDOVGPNT-UHFFFAOYSA-N 0 3 500.050 4.005 1 0 KIAFHN CC(C)([NH3+])CC(=O)N[C@@H]1CCCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000028006743 561895584 /nfs/dbraw/zinc/89/55/84/561895584.db2.gz PXEZIOFUCJJKFY-RUZDIDTESA-N 0 3 523.641 4.015 1 0 KIAFHN CC(C)([NH3+])CC(=O)N[C@@H]1CCCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000028006743 561895582 /nfs/dbraw/zinc/89/55/82/561895582.db2.gz PXEZIOFUCJJKFY-RUZDIDTESA-N 0 3 523.641 4.015 1 0 KIAFHN CC(C)([NH3+])CC(=O)N[C@H]1CCCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000028006747 561895673 /nfs/dbraw/zinc/89/56/73/561895673.db2.gz PXEZIOFUCJJKFY-VWLOTQADSA-N 0 3 523.641 4.015 1 0 KIAFHN CC(C)([NH3+])CC(=O)N[C@H]1CCCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000028006747 561895671 /nfs/dbraw/zinc/89/56/71/561895671.db2.gz PXEZIOFUCJJKFY-VWLOTQADSA-N 0 3 523.641 4.015 1 0 KIAFHN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)C1CCOCC1 ZINC000028011505 561896512 /nfs/dbraw/zinc/89/65/12/561896512.db2.gz UPKJJEYRBBFKPJ-NSOVKSMOSA-N 0 3 551.728 4.373 1 0 KIAFHN CN1CCN(C/C=C/c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@H]2NS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000028118980 561904240 /nfs/dbraw/zinc/90/42/40/561904240.db2.gz PRHSSTWRJVSBAX-BDLHEBNOSA-N 0 3 506.137 4.134 1 0 KIAFHN COc1cccc(-c2c3n(c(=O)n(C[C@@H](N)c4ccccc4)c2=O)[C@H](c2ccccc2F)CS3)c1F ZINC000028131931 561905829 /nfs/dbraw/zinc/90/58/29/561905829.db2.gz DDZZTYJJVYSXAZ-RTWAWAEBSA-N 0 3 507.562 4.359 1 0 KIAFHN COc1cccc(-c2c3n(c(=O)n(C[C@@H](N)c4ccccc4)c2=O)[C@@H](c2ccccc2F)CS3)c1F ZINC000028131938 561905800 /nfs/dbraw/zinc/90/58/00/561905800.db2.gz DDZZTYJJVYSXAZ-NHCUHLMSSA-N 0 3 507.562 4.359 1 0 KIAFHN COc1cccc(-c2c3n(c(=O)n(C[C@H](N)c4ccccc4)c2=O)[C@H](c2ccccc2F)CS3)c1F ZINC000028131943 561905827 /nfs/dbraw/zinc/90/58/27/561905827.db2.gz DDZZTYJJVYSXAZ-SFTDATJTSA-N 0 3 507.562 4.359 1 0 KIAFHN COc1cccc(-c2c3n(c(=O)n(C[C@H](N)c4ccccc4)c2=O)[C@@H](c2ccccc2F)CS3)c1F ZINC000028131950 561905785 /nfs/dbraw/zinc/90/57/85/561905785.db2.gz DDZZTYJJVYSXAZ-LEWJYISDSA-N 0 3 507.562 4.359 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CCCN2CCC(n3c4ccccc4[nH]c3=O)CC2)C1 ZINC000028134431 561906339 /nfs/dbraw/zinc/90/63/39/561906339.db2.gz XONZZCVVDBXKTI-UHFFFAOYSA-N 0 3 613.582 4.001 1 0 KIAFHN CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c[nH]c2ccccc12 ZINC000028225212 561907882 /nfs/dbraw/zinc/90/78/82/561907882.db2.gz BYHBAFGSDKUBQB-ROJLCIKYSA-N 0 3 617.754 4.200 1 0 KIAFHN CCCCCCn1ccn(-c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)c1=O ZINC000028253490 561911135 /nfs/dbraw/zinc/91/11/35/561911135.db2.gz IRCYGJPCVBVIGB-LJAQVGFWSA-N 0 3 563.724 4.281 1 0 KIAFHN CCOc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1 ZINC000028257151 561911630 /nfs/dbraw/zinc/91/16/30/561911630.db2.gz NEBRVJPYFRVBHS-UHFFFAOYSA-N 0 3 534.607 4.280 1 0 KIAFHN Cc1c(-c2ccc3c(c2)OC(F)(F)O3)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028257240 561911578 /nfs/dbraw/zinc/91/15/78/561911578.db2.gz GTKRATWSXSFSLO-UHFFFAOYSA-N 0 3 570.543 4.203 1 0 KIAFHN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)c1F ZINC000028259395 561912056 /nfs/dbraw/zinc/91/20/56/561912056.db2.gz ADYYHGJMWPGLSW-UHFFFAOYSA-N 0 3 538.570 4.029 1 0 KIAFHN COCc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)c1 ZINC000028259750 561912027 /nfs/dbraw/zinc/91/20/27/561912027.db2.gz JBHULFMIYCSOJN-UHFFFAOYSA-N 0 3 534.607 4.028 1 0 KIAFHN COCc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCN(C)CCc3ccccn3)c2=O)cc1 ZINC000028260034 561912018 /nfs/dbraw/zinc/91/20/18/561912018.db2.gz TUQMGXVTSMZXMC-UHFFFAOYSA-N 0 3 534.607 4.028 1 0 KIAFHN CCN(CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2cccc(Cl)c2Cl)C1=O ZINC000028331934 561912799 /nfs/dbraw/zinc/91/27/99/561912799.db2.gz HRHGLQFTMKTBNI-OAQYLSRUSA-N 0 3 504.336 4.035 1 0 KIAFHN CCN(CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2c(Cl)cccc2Cl)C1=O ZINC000028332456 561912944 /nfs/dbraw/zinc/91/29/44/561912944.db2.gz WEBGHWZLLGNMIW-NRFANRHFSA-N 0 3 504.336 4.035 1 0 KIAFHN CCc1cc(NC(=O)NC[C@H]2CN(CCc3ccc(F)cc3)CC[C@@H]2C(F)(F)F)cc(-c2nnnn2C)c1 ZINC000028332593 561912961 /nfs/dbraw/zinc/91/29/61/561912961.db2.gz PIGWHTLHRNYGHV-REWPJTCUSA-N 0 3 533.574 4.443 1 0 KIAFHN CCN(CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2cc(Cl)ccc2Cl)C1=O ZINC000028339755 561913874 /nfs/dbraw/zinc/91/38/74/561913874.db2.gz QJLWDZGJAPJSLF-OAQYLSRUSA-N 0 3 504.336 4.035 1 0 KIAFHN C=Cc1cccc(S(=O)(=O)N2C[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(C(=N)NO)c3)C(=O)N2CCCC)c1 ZINC000028340427 561914003 /nfs/dbraw/zinc/91/40/03/561914003.db2.gz LOSXNLZJNVKDHD-FQLXRVMXSA-N 0 3 591.734 4.250 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(n3c4ccccc4[nH]c3=O)CC2)C1 ZINC000028342144 561914242 /nfs/dbraw/zinc/91/42/42/561914242.db2.gz QSFYIXJDDHTGHC-UHFFFAOYSA-N 0 3 602.683 4.257 1 0 KIAFHN Cn1c2ccccc2n(C2CCN(CCCn3nc(-c4ccc(Br)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c1=O ZINC000028344972 561914577 /nfs/dbraw/zinc/91/45/77/561914577.db2.gz GSWZHKVFOIAGIM-UHFFFAOYSA-N 0 3 627.609 4.011 1 0 KIAFHN CCc1cc(I)c2c(c1)[C@H](NCCCNc1nc3ccccc3c(=O)[nH]1)CCN2 ZINC000028347127 561914975 /nfs/dbraw/zinc/91/49/75/561914975.db2.gz SFIPHHPETJSJIE-GOSISDBHSA-N 0 3 503.388 4.039 1 0 KIAFHN CCc1cc(I)c2c(c1)[C@@H](NCCCNc1nc3ccccc3c(=O)[nH]1)CCN2 ZINC000028347134 561915054 /nfs/dbraw/zinc/91/50/54/561915054.db2.gz SFIPHHPETJSJIE-SFHVURJKSA-N 0 3 503.388 4.039 1 0 KIAFHN O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNc2ccncc2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028351754 561915553 /nfs/dbraw/zinc/91/55/53/561915553.db2.gz UJMYWFUCFYSTOT-ROJLCIKYSA-N 0 3 609.174 4.438 1 0 KIAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)C1CCCCC1 ZINC000028352871 561915783 /nfs/dbraw/zinc/91/57/83/561915783.db2.gz POEZATUULFKDOM-ULOHSEQHSA-N 0 3 590.850 4.305 1 0 KIAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccc(C)c(C)c1 ZINC000028357610 561916298 /nfs/dbraw/zinc/91/62/98/561916298.db2.gz WFQOBPYJVNOFOW-YIIIQPLQSA-N 0 3 612.856 4.293 1 0 KIAFHN CCc1cc(I)c2c(c1)[C@H](NCCCNc1nc3ccsc3c(=O)[nH]1)CCN2 ZINC000028360915 561916933 /nfs/dbraw/zinc/91/69/33/561916933.db2.gz VYUAKIIZKWCRSV-OAHLLOKOSA-N 0 3 509.417 4.100 1 0 KIAFHN CCc1cc(I)c2c(c1)[C@@H](NCCCNc1nc3ccsc3c(=O)[nH]1)CCN2 ZINC000028360922 561916916 /nfs/dbraw/zinc/91/69/16/561916916.db2.gz VYUAKIIZKWCRSV-HNNXBMFYSA-N 0 3 509.417 4.100 1 0 KIAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1cccc(Cl)c1 ZINC000028361948 561916922 /nfs/dbraw/zinc/91/69/22/561916922.db2.gz FAKMBIXSYRHYEN-PGSBPHPFSA-N 0 3 619.247 4.330 1 0 KIAFHN CCCCN1C(=O)N(Cc2cccc(C(=N)NO)c2)[C@H](Cc2ccccc2)[C@H](O)CN1S(=O)(=O)c1cccc(Br)c1 ZINC000028362875 561917033 /nfs/dbraw/zinc/91/70/33/561917033.db2.gz UPCOYPXTOPBLBS-KAYWLYCHSA-N 0 3 644.592 4.369 1 0 KIAFHN CN(Cc1cccnc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028364300 561917369 /nfs/dbraw/zinc/91/73/69/561917369.db2.gz GJMUDCRPJZKNLL-KKLWWLSJSA-N 0 3 637.228 4.458 1 0 KIAFHN CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCCC[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028368334 561917917 /nfs/dbraw/zinc/91/79/17/561917917.db2.gz PBFRWJJGPRKHQC-YZMNQAMLSA-N 0 3 598.829 4.067 1 0 KIAFHN O=C1OC2(CCC(N3CCN(Cc4ccccc4I)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028372222 561918450 /nfs/dbraw/zinc/91/84/50/561918450.db2.gz SXCGDIMFBDIGBX-UHFFFAOYSA-N 0 3 560.432 4.189 1 0 KIAFHN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](NC)C(C)(C)c1cccc(C)c1)C(C)(C)C ZINC000028374104 561918912 /nfs/dbraw/zinc/91/89/12/561918912.db2.gz LDNWPCLRKRDKLB-LFIGKCIUSA-N 0 3 515.739 4.384 1 0 KIAFHN C[C@@H](NC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374228 561918923 /nfs/dbraw/zinc/91/89/23/561918923.db2.gz NHYYWMLPJGZTLX-SNKHRSMISA-N 0 3 586.180 4.244 1 0 KIAFHN C[C@H](NC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374236 561918972 /nfs/dbraw/zinc/91/89/72/561918972.db2.gz NHYYWMLPJGZTLX-WQBWHMICSA-N 0 3 586.180 4.244 1 0 KIAFHN O=C1OC2(CCC(N3CCN(Cc4ccccc4I)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028374766 561918910 /nfs/dbraw/zinc/91/89/10/561918910.db2.gz CCHHLBQBHAVHHW-UHFFFAOYSA-N 0 3 546.405 4.146 1 0 KIAFHN O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2CNCc2ccco2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028381702 561920236 /nfs/dbraw/zinc/92/02/36/561920236.db2.gz JPVZHIOIJQFRBB-ROJLCIKYSA-N 0 3 612.174 4.313 1 0 KIAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(C(F)(F)F)nc2)CC1 ZINC000028383246 561920499 /nfs/dbraw/zinc/92/04/99/561920499.db2.gz KMPKNQLUSHGOEZ-UHFFFAOYSA-N 0 3 589.688 4.114 1 0 KIAFHN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)CN1CCN(CCCO)CC1 ZINC000028383414 561920596 /nfs/dbraw/zinc/92/05/96/561920596.db2.gz KQIMPZBHGGTIQL-IBGZPJMESA-N 0 3 586.076 4.329 1 0 KIAFHN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)CN1CCN(CCCO)CC1 ZINC000028383422 561920480 /nfs/dbraw/zinc/92/04/80/561920480.db2.gz KQIMPZBHGGTIQL-LJQANCHMSA-N 0 3 586.076 4.329 1 0 KIAFHN COc1cc2c(cc1OCCN1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(C)nc2Cl)CC1 ZINC000028387719 561921504 /nfs/dbraw/zinc/92/15/04/561921504.db2.gz CGOFUAFJIPNUDQ-UHFFFAOYSA-N 0 3 570.163 4.057 1 0 KIAFHN CCCN1CCC(Oc2nccc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)n2)CC1 ZINC000028388586 561921668 /nfs/dbraw/zinc/92/16/68/561921668.db2.gz DVMJSHGIQHMARR-UHFFFAOYSA-N 0 3 531.661 4.266 1 0 KIAFHN COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2cc1OCCN(C)C ZINC000028392328 561922560 /nfs/dbraw/zinc/92/25/60/561922560.db2.gz NCPGAWWKQPXOSS-UHFFFAOYSA-N 0 3 557.655 4.115 1 0 KIAFHN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1cccc(C)c1)C(C)(C)C ZINC000028392920 561922612 /nfs/dbraw/zinc/92/26/12/561922612.db2.gz LDNWPCLRKRDKLB-CQDKBKGHSA-N 0 3 515.739 4.384 1 0 KIAFHN CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)C1)[C@@H]1CCN(C)C1 ZINC000028396298 561923190 /nfs/dbraw/zinc/92/31/90/561923190.db2.gz IEFKJRFEVBPDOZ-MSOLQXFVSA-N 0 3 510.582 4.216 1 0 KIAFHN CCNC(=O)c1ccc(C(c2ccc(S(N)(=O)=O)cc2)=C2C[C@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000028456541 561923921 /nfs/dbraw/zinc/92/39/21/561923921.db2.gz QHUQHHJZWPTKAU-PLQXJYEYSA-N 0 3 505.640 4.306 1 0 KIAFHN [NH3+][C@@H](Cn1c(=O)c(-c2cccc([O-])c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000028475291 561927873 /nfs/dbraw/zinc/92/78/73/561927873.db2.gz DMCFVTPQXWWYQE-NRFANRHFSA-N 0 3 517.454 4.428 1 0 KIAFHN COc1cccc(-c2cn(Cc3c(F)cccc3SC)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F ZINC000028477217 561928518 /nfs/dbraw/zinc/92/85/18/561928518.db2.gz GDIPAULZBZQATF-QFIPXVFZSA-N 0 3 509.578 4.434 1 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O=C(Cc1ccccc1)NCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3Cc4ccccc4CN3)CC2)CCCCC1 ZINC000028529590 561934169 /nfs/dbraw/zinc/93/41/69/561934169.db2.gz XHBDVORBTHPQNX-SZAHLOSFSA-N 0 3 656.271 4.288 1 0 KIAFHN COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCN(C)CC4)cc(OC(C)C)c32)n1 ZINC000028530058 561934391 /nfs/dbraw/zinc/93/43/91/561934391.db2.gz MPNHPBKFHQKFKA-UHFFFAOYSA-N 0 3 501.031 4.234 1 0 KIAFHN COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)s1 ZINC000028568079 561937118 /nfs/dbraw/zinc/93/71/18/561937118.db2.gz SEJVDCGZEHMMFJ-UHFFFAOYSA-N 0 3 565.675 4.175 1 0 KIAFHN COc1cc2c(cc1OCCCN1CCC(CO)CC1)ncnc2Nc1ncc(CNC(=O)c2cccc(F)c2)s1 ZINC000028568230 561937224 /nfs/dbraw/zinc/93/72/24/561937224.db2.gz FHFXXELCOMBVAO-UHFFFAOYSA-N 0 3 580.686 4.381 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)CN2CCC(N3C(=O)CCc4cc(Cl)ccc43)CC2)C1 ZINC000028572228 561939915 /nfs/dbraw/zinc/93/99/15/561939915.db2.gz QCVFWWFGAKRNHR-VWLOTQADSA-N 0 3 677.065 4.088 1 0 KIAFHN 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CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccccn1 ZINC000028635416 561940997 /nfs/dbraw/zinc/94/09/97/561940997.db2.gz OBUHPSWJFKQUJC-AREMUKBSSA-N 0 3 507.642 4.125 1 0 KIAFHN CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(CC)c2)c1 ZINC000028705232 561948966 /nfs/dbraw/zinc/94/89/66/561948966.db2.gz STJWSMTYMITMCI-IOWSJCHKSA-N 0 3 608.730 4.380 1 0 KIAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)cc(C(=O)N(C)C)c1 ZINC000028705250 561949047 /nfs/dbraw/zinc/94/90/47/561949047.db2.gz WJRWIEVAQULAJW-AJQTZOPKSA-N 0 3 602.776 4.151 1 0 KIAFHN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(OC)c1 ZINC000028705645 561949141 /nfs/dbraw/zinc/94/91/41/561949141.db2.gz YXGVNNKUNJXHOE-JHOBJCJYSA-N 0 3 657.747 4.227 1 0 KIAFHN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(OC)c1 ZINC000028705649 561949165 /nfs/dbraw/zinc/94/91/65/561949165.db2.gz 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/nfs/dbraw/zinc/95/41/60/561954160.db2.gz LUNFWPKHPVTQAR-UHFFFAOYSA-N 0 3 512.610 4.409 1 0 KIAFHN COc1ccc(C(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1OC ZINC000028714015 561954426 /nfs/dbraw/zinc/95/44/26/561954426.db2.gz JBZBEDKQYDQVSS-UHFFFAOYSA-N 0 3 526.081 4.145 1 0 KIAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(F)c(F)c1 ZINC000028714019 561954472 /nfs/dbraw/zinc/95/44/72/561954472.db2.gz CRCWBRGSXOGSHA-UHFFFAOYSA-N 0 3 502.009 4.406 1 0 KIAFHN O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(F)cc(F)c1 ZINC000028714026 561954374 /nfs/dbraw/zinc/95/43/74/561954374.db2.gz WZJINVMZXRYPBX-UHFFFAOYSA-N 0 3 502.009 4.406 1 0 KIAFHN CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN1CCN(CCC(=O)N2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714049 561954405 /nfs/dbraw/zinc/95/44/05/561954405.db2.gz JPFCQQCDTHCSDC-WQQLCDBNSA-N 0 3 706.932 4.074 1 0 KIAFHN CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 ZINC000028817319 561964615 /nfs/dbraw/zinc/96/46/15/561964615.db2.gz AHRNMDRWMJFRTC-WIHCDAFUSA-N 0 3 672.839 4.282 1 0 KIAFHN CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(C(F)(F)F)cc4)sc3c2=O)C1)[C@H]1CCN(C)C1 ZINC000028818539 561965325 /nfs/dbraw/zinc/96/53/25/561965325.db2.gz XFRFMQURURXPCN-ROUUACIJSA-N 0 3 505.566 4.147 1 0 KIAFHN CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(OC(F)(F)F)cc4)sc3c2=O)C1)[C@H]1CCN(C)C1 ZINC000028818540 561965379 /nfs/dbraw/zinc/96/53/79/561965379.db2.gz OYSLSXQOPMXETN-IRXDYDNUSA-N 0 3 521.565 4.026 1 0 KIAFHN CCOc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CCN(C)C5)C4)c(=O)c3s2)c(Cl)c1 ZINC000028818546 561965403 /nfs/dbraw/zinc/96/54/03/561965403.db2.gz HJOURXUKRFORJK-IRXDYDNUSA-N 0 3 516.067 4.180 1 0 KIAFHN CN1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1 ZINC000028822128 561966570 /nfs/dbraw/zinc/96/65/70/561966570.db2.gz IXZZXWDPIMSXSX-UHFFFAOYSA-N 0 3 522.915 4.256 1 0 KIAFHN CC(C)C[C@H](NC(=O)CN)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823916 561968766 /nfs/dbraw/zinc/96/87/66/561968766.db2.gz REJCISYQMOGOHG-AHKZPQOWSA-N 0 3 606.570 4.177 1 0 KIAFHN CNCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823917 561968737 /nfs/dbraw/zinc/96/87/37/561968737.db2.gz BBMVDIOZDPPMNA-XTEPFMGCSA-N 0 3 602.607 4.299 1 0 KIAFHN CNCC(=O)N[C@@H](CC(C)C)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823918 561968727 /nfs/dbraw/zinc/96/87/27/561968727.db2.gz ZVXDTQBHPOHGTP-XTEPFMGCSA-N 0 3 620.597 4.438 1 0 KIAFHN NCc1ncc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[C@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825137 561970325 /nfs/dbraw/zinc/97/03/25/561970325.db2.gz NMYTVJXUWUGBBX-SDLCRUBJSA-N 0 3 541.615 4.171 1 0 KIAFHN NCc1ncc([C@@]23C[C@@H]2[C@H](N(CCCN2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825140 561970372 /nfs/dbraw/zinc/97/03/72/561970372.db2.gz NMYTVJXUWUGBBX-HKTKNQGOSA-N 0 3 541.615 4.171 1 0 KIAFHN NCc1ncc([C@@]23C[C@@H]2[C@@H](N(CCCN2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825147 561970354 /nfs/dbraw/zinc/97/03/54/561970354.db2.gz NMYTVJXUWUGBBX-RUSORYGASA-N 0 3 541.615 4.171 1 0 KIAFHN CC(C)C[C@@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826801 561971396 /nfs/dbraw/zinc/97/13/96/561971396.db2.gz CHXZDXXFVJJJFD-FDDCHVKYSA-N 0 3 520.505 4.078 1 0 KIAFHN CC(C)C[C@@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826802 561971408 /nfs/dbraw/zinc/97/14/08/561971408.db2.gz CHXZDXXFVJJJFD-WZONZLPQSA-N 0 3 520.505 4.078 1 0 KIAFHN CC(C)C[C@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826804 561971364 /nfs/dbraw/zinc/97/13/64/561971364.db2.gz CHXZDXXFVJJJFD-MBSDFSHPSA-N 0 3 520.505 4.078 1 0 KIAFHN CC(C)C[C@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028826805 561971390 /nfs/dbraw/zinc/97/13/90/561971390.db2.gz CHXZDXXFVJJJFD-JPYJTQIMSA-N 0 3 520.505 4.078 1 0 KIAFHN COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)CN(CCc2c[nH]c4ccccc24)CC3)c1 ZINC000028863524 561972350 /nfs/dbraw/zinc/97/23/50/561972350.db2.gz SIJLLGCJSPPEJZ-UHFFFAOYSA-N 0 3 542.586 4.416 1 0 KIAFHN CCc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864112 561972547 /nfs/dbraw/zinc/97/25/47/561972547.db2.gz FVCSRWSONCYMPB-UHFFFAOYSA-N 0 3 573.688 4.027 1 0 KIAFHN CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864117 561972467 /nfs/dbraw/zinc/97/24/67/561972467.db2.gz YWXWWLFOSYCWIB-UHFFFAOYSA-N 0 3 580.079 4.118 1 0 KIAFHN CSc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864121 561972601 /nfs/dbraw/zinc/97/26/01/561972601.db2.gz CMTGTUPQRGVTHE-UHFFFAOYSA-N 0 3 591.728 4.186 1 0 KIAFHN CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000028864124 561972648 /nfs/dbraw/zinc/97/26/48/561972648.db2.gz RPWAWOSYDIWRBM-UHFFFAOYSA-N 0 3 613.631 4.483 1 0 KIAFHN CN(CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1cccc(Cl)c1)C2 ZINC000028864132 561972528 /nfs/dbraw/zinc/97/25/28/561972528.db2.gz AYSIDPWCVRGUGA-UHFFFAOYSA-N 0 3 580.079 4.118 1 0 KIAFHN Cc1cc(Cl)ccc1CN1CCc2c(c(=O)n(CCN(C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864141 561972502 /nfs/dbraw/zinc/97/25/02/561972502.db2.gz UKFXMFODKVUUPA-UHFFFAOYSA-N 0 3 594.106 4.426 1 0 KIAFHN Cc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864144 561972632 /nfs/dbraw/zinc/97/26/32/561972632.db2.gz LSOURRCAOWIPMJ-UHFFFAOYSA-N 0 3 573.688 4.081 1 0 KIAFHN Cc1ccc(CN2CCc3c(c(=O)n(CCN(C)Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864171 561972922 /nfs/dbraw/zinc/97/29/22/561972922.db2.gz XGURAZVFVAKWSE-UHFFFAOYSA-N 0 3 559.661 4.039 1 0 KIAFHN CNCC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1)C(C)C ZINC000028867151 561973583 /nfs/dbraw/zinc/97/35/83/561973583.db2.gz LAHUDBCXWRATGM-HRFSGMKKSA-N 0 3 517.089 4.348 1 0 KIAFHN CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)N)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870515 561974004 /nfs/dbraw/zinc/97/40/04/561974004.db2.gz OWODAMPWWKUVRG-UVQZXEQTSA-N 0 3 522.697 4.483 1 0 KIAFHN CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)N)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870519 561974012 /nfs/dbraw/zinc/97/40/12/561974012.db2.gz OWODAMPWWKUVRG-BMIOMVLPSA-N 0 3 522.697 4.483 1 0 KIAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CC(=O)N(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874725 561975283 /nfs/dbraw/zinc/97/52/83/561975283.db2.gz JJPNRJDIOHTAQZ-MHZLTWQESA-N 0 3 522.690 4.339 1 0 KIAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CC(=O)N(C)C)c3=O)CC2)C(C)C)c1 ZINC000028874729 561975331 /nfs/dbraw/zinc/97/53/31/561975331.db2.gz JJPNRJDIOHTAQZ-HHHXNRCGSA-N 0 3 522.690 4.339 1 0 KIAFHN COC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874736 561975305 /nfs/dbraw/zinc/97/53/05/561975305.db2.gz TZUSGDVGGLSLIF-AREMUKBSSA-N 0 3 509.647 4.424 1 0 KIAFHN COC(=O)Cn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874741 561975290 /nfs/dbraw/zinc/97/52/90/561975290.db2.gz TZUSGDVGGLSLIF-SANMLTNESA-N 0 3 509.647 4.424 1 0 KIAFHN CNC(=O)CCn1c2ccccc2n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874818 561975340 /nfs/dbraw/zinc/97/53/40/561975340.db2.gz WNURKTFGOHANPD-HHHXNRCGSA-N 0 3 522.690 4.387 1 0 KIAFHN CNC(=O)CCn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874821 561975351 /nfs/dbraw/zinc/97/53/51/561975351.db2.gz WNURKTFGOHANPD-MHZLTWQESA-N 0 3 522.690 4.387 1 0 KIAFHN CCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874898 561975254 /nfs/dbraw/zinc/97/52/54/561975254.db2.gz MTTZPKNMSDFTCL-HHHXNRCGSA-N 0 3 522.690 4.387 1 0 KIAFHN CCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874901 561975323 /nfs/dbraw/zinc/97/53/23/561975323.db2.gz MTTZPKNMSDFTCL-MHZLTWQESA-N 0 3 522.690 4.387 1 0 KIAFHN COCCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874951 561975435 /nfs/dbraw/zinc/97/54/35/561975435.db2.gz PLAUREMHVUKPSU-MUUNZHRXSA-N 0 3 552.716 4.013 1 0 KIAFHN COCCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@H](Oc3cc(OC)ccc3C)C(C)C)CC2)c1=O ZINC000028874956 561975481 /nfs/dbraw/zinc/97/54/81/561975481.db2.gz PLAUREMHVUKPSU-NDEPHWFRSA-N 0 3 552.716 4.013 1 0 KIAFHN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C1CCN(CCc2ccccc2)CC1 ZINC000028895397 561978883 /nfs/dbraw/zinc/97/88/83/561978883.db2.gz DNYQZBGAONIJQG-NDEPHWFRSA-N 0 3 505.684 4.158 1 0 KIAFHN CCOC(=O)CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C1CCN(CCc2ccccc2)CC1 ZINC000028895430 561978893 /nfs/dbraw/zinc/97/88/93/561978893.db2.gz HOHQMOMDZBHGJH-PMERELPUSA-N 0 3 577.747 4.092 1 0 KIAFHN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(F)cccc2c1)C1CCN(CCc2ccccc2)CC1 ZINC000028895464 561979028 /nfs/dbraw/zinc/97/90/28/561979028.db2.gz BRADURLXJDKZGP-NDEPHWFRSA-N 0 3 523.674 4.298 1 0 KIAFHN CC(=O)Nc1cccc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)N(C)C3CCN(CCc4ccccc4)CC3)ccc21 ZINC000028895490 561979018 /nfs/dbraw/zinc/97/90/18/561979018.db2.gz QQHOEMVPGXMION-PMERELPUSA-N 0 3 562.736 4.117 1 0 KIAFHN CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2N)CC1 ZINC000028895554 561978936 /nfs/dbraw/zinc/97/89/36/561978936.db2.gz LKYBJMRQBVFXGN-NDEPHWFRSA-N 0 3 555.144 4.394 1 0 KIAFHN C[C@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc21 ZINC000028901172 561979853 /nfs/dbraw/zinc/97/98/53/561979853.db2.gz SGYAQGSCPQGXLC-KOSHJBKYSA-N 0 3 501.566 4.076 1 0 KIAFHN C[C@@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc21 ZINC000028901178 561979856 /nfs/dbraw/zinc/97/98/56/561979856.db2.gz SGYAQGSCPQGXLC-UUOWRZLLSA-N 0 3 501.566 4.076 1 0 KIAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCC(C)C)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952447 561982097 /nfs/dbraw/zinc/98/20/97/561982097.db2.gz VTNBYIKQXYVSCU-VWLOTQADSA-N 0 3 577.692 4.309 1 0 KIAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)C)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952449 561982066 /nfs/dbraw/zinc/98/20/66/561982066.db2.gz OOSQXBZSECPDGT-DEOSSOPVSA-N 0 3 607.674 4.198 1 0 KIAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCC(C)C)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952462 561982085 /nfs/dbraw/zinc/98/20/85/561982085.db2.gz JHAFSIDCLSAERO-VWLOTQADSA-N 0 3 577.692 4.309 1 0 KIAFHN O=C(N1CC[C@H](C[N-]S(=O)(=O)c2ccc(-c3ccc(Cl)s3)s2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000028956111 561983023 /nfs/dbraw/zinc/98/30/23/561983023.db2.gz PUGOCDAJBXFDDE-MSOLQXFVSA-N 0 3 543.180 4.410 1 0 KIAFHN CS(=O)(=O)[N-]c1cc(CC[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O ZINC000028958011 561983411 /nfs/dbraw/zinc/98/34/11/561983411.db2.gz MQEQMQDFRYVBCZ-FYYLOGMGSA-N 0 3 520.598 4.232 1 0 KIAFHN CS(=O)(=O)[N-]c1cc(C[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O ZINC000028958089 561983571 /nfs/dbraw/zinc/98/35/71/561983571.db2.gz FELOGKHNKMHLIR-VQTJNVASSA-N 0 3 572.577 4.444 1 0 KIAFHN COc1ccc([C@H](CCc2ccccc2Cl)[NH2+]C[C@H](O)Cc2ccc(O)c([N-]S(C)(=O)=O)c2)cc1OC ZINC000028958145 561983689 /nfs/dbraw/zinc/98/36/89/561983689.db2.gz HDLXDLDDNWHJGJ-GGAORHGYSA-N 0 3 549.089 4.301 1 0 KIAFHN COc1ccc([C@H](CCc2cccc(Cl)c2)[NH2+]C[C@H](O)Cc2ccc(O)c([N-]S(C)(=O)=O)c2)cc1OC ZINC000028958150 561983709 /nfs/dbraw/zinc/98/37/09/561983709.db2.gz UBISJHGCXANUDM-PKTZIBPZSA-N 0 3 549.089 4.301 1 0 KIAFHN COc1ccc([C@H](CCc2ccc(Cl)cc2)[NH2+]C[C@H](O)Cc2ccc(O)c([N-]S(C)(=O)=O)c2)cc1OC ZINC000028958156 561983707 /nfs/dbraw/zinc/98/37/07/561983707.db2.gz QJXDPNWALDKJNB-PKTZIBPZSA-N 0 3 549.089 4.301 1 0 KIAFHN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)c1 ZINC000028968529 561985500 /nfs/dbraw/zinc/98/55/00/561985500.db2.gz WPRACYICKOKGTO-XZWHSSHBSA-N 0 3 531.697 4.449 1 0 in-vitro KIAFHN Cc1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(I)c2)c1 ZINC000028968540 561985666 /nfs/dbraw/zinc/98/56/66/561985666.db2.gz BBSHSTBMSJDAJL-BJKOFHAPSA-N 0 3 550.387 4.370 1 0 KIAFHN CC(=O)CN1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](CN2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975318 561986465 /nfs/dbraw/zinc/98/64/65/561986465.db2.gz KQPUQEUKQSELDJ-JBRSBNLGSA-N 0 3 543.709 4.149 1 0 KIAFHN Nc1ccccc1NC(=O)c1cc2ccc([C@@H](NCCc3ccccc3)C(=O)NCCN3CCOCC3)cc2s1 ZINC000028976293 561986758 /nfs/dbraw/zinc/98/67/58/561986758.db2.gz YXSLUMKKLSJPHR-GDLZYMKVSA-N 0 3 557.720 4.058 1 0 KIAFHN Nc1ccccc1NC(=O)c1cc2ccc([C@H](NCCc3ccccc3)C(=O)NCCN3CCOCC3)cc2s1 ZINC000028976296 561986743 /nfs/dbraw/zinc/98/67/43/561986743.db2.gz YXSLUMKKLSJPHR-LJAQVGFWSA-N 0 3 557.720 4.058 1 0 KIAFHN CN(C)CCN[C@@H](C(=O)NCc1ccccc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1 ZINC000028976322 561986885 /nfs/dbraw/zinc/98/68/85/561986885.db2.gz BYZKEETTZOQSEE-AREMUKBSSA-N 0 3 501.656 4.245 1 0 KIAFHN CN(C)CCN[C@H](C(=O)NCc1ccccc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1 ZINC000028976328 561986873 /nfs/dbraw/zinc/98/68/73/561986873.db2.gz BYZKEETTZOQSEE-SANMLTNESA-N 0 3 501.656 4.245 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@H]2CCc3ccccc32)cc(N2CCCC2=O)c1 ZINC000028978447 561987817 /nfs/dbraw/zinc/98/78/17/561987817.db2.gz NLSNSOOHLJWWBV-OIFRRMEBSA-N 0 3 526.681 4.224 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H]2CCc3ccccc32)cc(N2CCCC2=O)c1 ZINC000028978451 561987802 /nfs/dbraw/zinc/98/78/02/561987802.db2.gz NLSNSOOHLJWWBV-DYIKCSJPSA-N 0 3 526.681 4.224 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(Cl)c2)cc(N2CCCC2=O)c1 ZINC000028978595 561987808 /nfs/dbraw/zinc/98/78/08/561987808.db2.gz ZYPHKMBWKDJJOF-WUFINQPMSA-N 0 3 535.088 4.390 1 0 KIAFHN CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(=O)NCCC(N)=O)CC4)cc3)nc2n1 ZINC000028980055 561988502 /nfs/dbraw/zinc/98/85/02/561988502.db2.gz AYBAQJBGLXKFMK-UHFFFAOYSA-N 0 3 540.693 4.284 1 0 KIAFHN CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(NC(=O)CNC(C)=O)CC4)cc3)nc2n1 ZINC000028980059 561988498 /nfs/dbraw/zinc/98/84/98/561988498.db2.gz QCSBUEMDGVYHPM-UHFFFAOYSA-N 0 3 540.693 4.297 1 0 KIAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000029037415 561988542 /nfs/dbraw/zinc/98/85/42/561988542.db2.gz HIQWWDCRULXYDF-SWROZOJRSA-N 0 3 658.821 4.074 1 0 in-vitro KIAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000029037417 561988532 /nfs/dbraw/zinc/98/85/32/561988532.db2.gz HIQWWDCRULXYDF-ZCWDHQIGSA-N 0 3 658.821 4.074 1 0 KIAFHN Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000029038368 561988827 /nfs/dbraw/zinc/98/88/27/561988827.db2.gz CFVOAVDAPUQRNK-HNNXBMFYSA-N 0 3 561.531 4.135 1 0 KIAFHN Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000029038372 561988841 /nfs/dbraw/zinc/98/88/41/561988841.db2.gz CFVOAVDAPUQRNK-OAHLLOKOSA-N 0 3 561.531 4.135 1 0 KIAFHN CNCC(=O)N[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029039318 561989768 /nfs/dbraw/zinc/98/97/68/561989768.db2.gz CLFRWIZLMHYBBE-ZNZIZOMTSA-N 0 3 643.172 4.259 1 0 KIAFHN CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCS2(=O)=O)c1 ZINC000029039594 561990055 /nfs/dbraw/zinc/99/00/55/561990055.db2.gz QCGIDYZRRCDEKC-WUFINQPMSA-N 0 3 605.679 4.136 1 0 KIAFHN CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039602 561990121 /nfs/dbraw/zinc/99/01/21/561990121.db2.gz YEZDYUAEDBVCGS-URLMMPGGSA-N 0 3 635.705 4.406 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039604 561990081 /nfs/dbraw/zinc/99/00/81/561990081.db2.gz XLBWUOMBCABEHD-URLMMPGGSA-N 0 3 634.721 4.439 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@H]2CCc3ccccc32)cc(N2CCCCS2(=O)=O)c1 ZINC000029039608 561990073 /nfs/dbraw/zinc/99/00/73/561990073.db2.gz PRQFEELAHDKHBV-RWSKJCERSA-N 0 3 576.763 4.028 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H]2CCc3ccc(OC)cc32)cc(N2CCCCS2(=O)=O)c1 ZINC000029039610 561990069 /nfs/dbraw/zinc/99/00/69/561990069.db2.gz AZLWHCAOZGWHCN-YKILCQELSA-N 0 3 606.789 4.036 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@H]2CCc3ccc(OC)cc32)cc(N2CCCCS2(=O)=O)c1 ZINC000029039612 561990087 /nfs/dbraw/zinc/99/00/87/561990087.db2.gz AZLWHCAOZGWHCN-OWHBQTKESA-N 0 3 606.789 4.036 1 0 KIAFHN Cc1c(OCCN(C)C)cn2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12 ZINC000029040600 561990671 /nfs/dbraw/zinc/99/06/71/561990671.db2.gz HWOXQSUVADVKLF-UHFFFAOYSA-N 0 3 524.528 4.016 1 0 KIAFHN CN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1)OCO2 ZINC000029042552 561991670 /nfs/dbraw/zinc/99/16/70/561991670.db2.gz LVQQMUZNNNCVGV-AREMUKBSSA-N 0 3 549.693 4.074 1 0 KIAFHN COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)Cc2ccccc2)cc1OC ZINC000029043119 561991977 /nfs/dbraw/zinc/99/19/77/561991977.db2.gz PMZVHFNHFUXDRX-HHHXNRCGSA-N 0 3 565.736 4.363 1 0 KIAFHN CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)N2)c1 ZINC000029049068 561993778 /nfs/dbraw/zinc/99/37/78/561993778.db2.gz DCJGHBWTJFHQCR-UEHMVRIRSA-N 0 3 605.783 4.138 1 0 in-vitro KIAFHN CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3cc(Br)cc(Br)c3)C(=O)N2)c1 ZINC000029049071 561993889 /nfs/dbraw/zinc/99/38/89/561993889.db2.gz LQWBBXAAGLDDLN-GMQQYTKMSA-N 0 3 659.423 4.054 1 0 KIAFHN CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 ZINC000029050216 561994121 /nfs/dbraw/zinc/99/41/21/561994121.db2.gz AJVQSIIGUPEAOP-YTCPBCGMSA-N 0 3 600.657 4.313 1 0 KIAFHN CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 ZINC000029050226 561994226 /nfs/dbraw/zinc/99/42/26/561994226.db2.gz DNLDGHIHLKXPEZ-YTCPBCGMSA-N 0 3 564.677 4.034 1 0 KIAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4cn[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062365 561996064 /nfs/dbraw/zinc/99/60/64/561996064.db2.gz NHQJUQCJZBZVER-MHZLTWQESA-N 0 3 518.662 4.417 1 0 KIAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4cn[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062371 561996067 /nfs/dbraw/zinc/99/60/67/561996067.db2.gz NHQJUQCJZBZVER-HHHXNRCGSA-N 0 3 518.662 4.417 1 0 KIAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4ncn(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062759 561996059 /nfs/dbraw/zinc/99/60/59/561996059.db2.gz SAWIZGOJYKFKJJ-MHZLTWQESA-N 0 3 532.689 4.427 1 0 KIAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4ncn(C)n4)c3=O)CC2)C(C)C)c1 ZINC000029062763 561996127 /nfs/dbraw/zinc/99/61/27/561996127.db2.gz SAWIZGOJYKFKJJ-HHHXNRCGSA-N 0 3 532.689 4.427 1 0 KIAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4ncnn4C)c3=O)CC2)C(C)C)c1 ZINC000029062775 561996193 /nfs/dbraw/zinc/99/61/93/561996193.db2.gz WFUHWZTWUBWDFA-MHZLTWQESA-N 0 3 532.689 4.427 1 0 KIAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4ncnn4C)c3=O)CC2)C(C)C)c1 ZINC000029062781 561996219 /nfs/dbraw/zinc/99/62/19/561996219.db2.gz WFUHWZTWUBWDFA-HHHXNRCGSA-N 0 3 532.689 4.427 1 0 KIAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4nnc[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029062786 561996153 /nfs/dbraw/zinc/99/61/53/561996153.db2.gz QMBXCQBKMMLGAG-SANMLTNESA-N 0 3 518.662 4.417 1 0 KIAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4nc[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062786 561996151 /nfs/dbraw/zinc/99/61/51/561996151.db2.gz QMBXCQBKMMLGAG-SANMLTNESA-N 0 3 518.662 4.417 1 0 KIAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4nnc[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029062791 561996201 /nfs/dbraw/zinc/99/62/01/561996201.db2.gz QMBXCQBKMMLGAG-AREMUKBSSA-N 0 3 518.662 4.417 1 0 KIAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4nc[nH]n4)c3=O)CC2)C(C)C)c1 ZINC000029062791 561996200 /nfs/dbraw/zinc/99/62/00/561996200.db2.gz QMBXCQBKMMLGAG-AREMUKBSSA-N 0 3 518.662 4.417 1 0 KIAFHN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cn4cncn4)c3=O)CC2)C(C)C)c1 ZINC000029063408 561996165 /nfs/dbraw/zinc/99/61/65/561996165.db2.gz FSLVJDKIQJTQTF-MHZLTWQESA-N 0 3 518.662 4.348 1 0 KIAFHN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cn4cncn4)c3=O)CC2)C(C)C)c1 ZINC000029063413 561996178 /nfs/dbraw/zinc/99/61/78/561996178.db2.gz FSLVJDKIQJTQTF-HHHXNRCGSA-N 0 3 518.662 4.348 1 0 KIAFHN O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029064445 561996301 /nfs/dbraw/zinc/99/63/01/561996301.db2.gz UNIGHCHPIKPGCY-UHFFFAOYSA-N 0 3 534.035 4.397 1 0 KIAFHN Cc1ccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)cc1C ZINC000029123093 561996409 /nfs/dbraw/zinc/99/64/09/561996409.db2.gz HTPUQSWPDNLQRB-UHFFFAOYSA-N 0 3 527.644 4.360 1 0 KIAFHN Cc1ccc(C)c(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000029123094 561996430 /nfs/dbraw/zinc/99/64/30/561996430.db2.gz FLTBGIMBKXIGKE-UHFFFAOYSA-N 0 3 527.644 4.360 1 0 KIAFHN O=C(CCCN1CCN(c2cccc(Cl)c2)CC1)NCc1nc2cc(F)ccc2c(=O)n1-c1ccccc1 ZINC000029123095 561996405 /nfs/dbraw/zinc/99/64/05/561996405.db2.gz CKNHVAKILDCRHN-UHFFFAOYSA-N 0 3 534.035 4.397 1 0 KIAFHN Cc1ccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c(C)c1 ZINC000029123117 561996455 /nfs/dbraw/zinc/99/64/55/561996455.db2.gz NNRWWFUGGDFULC-UHFFFAOYSA-N 0 3 527.644 4.360 1 0 KIAFHN Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1C ZINC000029123120 561996397 /nfs/dbraw/zinc/99/63/97/561996397.db2.gz XITNJWUZFRCEAM-UHFFFAOYSA-N 0 3 527.644 4.360 1 0 KIAFHN O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123188 561996552 /nfs/dbraw/zinc/99/65/52/561996552.db2.gz CMQIETMVTPJWHE-UHFFFAOYSA-N 0 3 534.035 4.397 1 0 KIAFHN O=C(CCCN1CCN(c2cccc(Cl)c2)CC1)NCc1nc2ccc(F)cc2c(=O)n1-c1ccccc1 ZINC000029123189 561996548 /nfs/dbraw/zinc/99/65/48/561996548.db2.gz DQSLXRAKKGKMEU-UHFFFAOYSA-N 0 3 534.035 4.397 1 0 KIAFHN Cc1ccc(N2CCN(CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)cc1C ZINC000029123375 561996748 /nfs/dbraw/zinc/99/67/48/561996748.db2.gz BMUPWLZEOZICMG-UHFFFAOYSA-N 0 3 509.654 4.221 1 0 KIAFHN Cc1ccc(C)c(N2CCN(CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000029123376 561996727 /nfs/dbraw/zinc/99/67/27/561996727.db2.gz VEUXEVRAEGSOLY-UHFFFAOYSA-N 0 3 509.654 4.221 1 0 KIAFHN Cc1ccc(N2CCN(CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c(C)c1 ZINC000029123432 561996794 /nfs/dbraw/zinc/99/67/94/561996794.db2.gz DUCIPEMQHLCNBB-UHFFFAOYSA-N 0 3 509.654 4.221 1 0 KIAFHN Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1C ZINC000029123434 561996876 /nfs/dbraw/zinc/99/68/76/561996876.db2.gz LSBYSFJBFKEHKG-UHFFFAOYSA-N 0 3 509.654 4.221 1 0 KIAFHN O=C(CCCN1CCN(c2ccc(Cl)cc2)CC1)NCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000029123493 561996857 /nfs/dbraw/zinc/99/68/57/561996857.db2.gz KXKWLPKPCDWCJL-UHFFFAOYSA-N 0 3 516.045 4.258 1 0 KIAFHN Cc1ccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)cc1C ZINC000029123556 561996868 /nfs/dbraw/zinc/99/68/68/561996868.db2.gz BREVJYOVIPNEBP-UHFFFAOYSA-N 0 3 527.644 4.360 1 0 KIAFHN Cc1ccc(C)c(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1 ZINC000029123559 561996805 /nfs/dbraw/zinc/99/68/05/561996805.db2.gz YZIALPZCOMNADK-UHFFFAOYSA-N 0 3 527.644 4.360 1 0 KIAFHN O=C(CCCN1CCN(c2cccc(Cl)c2)CC1)NCc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000029123562 561996851 /nfs/dbraw/zinc/99/68/51/561996851.db2.gz SVMFKEXNPVILOO-UHFFFAOYSA-N 0 3 516.045 4.258 1 0 KIAFHN Cc1ccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c(C)c1 ZINC000029123621 561996812 /nfs/dbraw/zinc/99/68/12/561996812.db2.gz GBOSKCRKLIFQFI-UHFFFAOYSA-N 0 3 527.644 4.360 1 0 KIAFHN Cc1cccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1C ZINC000029123670 561996819 /nfs/dbraw/zinc/99/68/19/561996819.db2.gz JLBUARJMJJDHRK-UHFFFAOYSA-N 0 3 527.644 4.360 1 0 KIAFHN O=S(=O)(c1ccccc1Br)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000029125460 561997599 /nfs/dbraw/zinc/99/75/99/561997599.db2.gz GEIKHQRXCHGMAK-UHFFFAOYSA-N 0 3 513.885 4.239 1 0 KIAFHN Nc1ncnc2c1ncn2C1CC[NH+](Cc2ccc(-c3ncc(-c4nn[n-]n4)cc3-c3ccccc3)cc2)CC1 ZINC000029125803 561998084 /nfs/dbraw/zinc/99/80/84/561998084.db2.gz IZQMTAROJNRODE-UHFFFAOYSA-N 0 3 529.612 4.155 1 0 KIAFHN Nc1ncnc2c1ncn2C1CC[NH+](Cc2ccc(-c3ncc(-c4nnn[n-]4)cc3-c3ccccc3)cc2)CC1 ZINC000029125803 561998083 /nfs/dbraw/zinc/99/80/83/561998083.db2.gz IZQMTAROJNRODE-UHFFFAOYSA-N 0 3 529.612 4.155 1 0 KIAFHN O=S(=O)(c1ccccc1Cl)N1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1 ZINC000029125833 561998062 /nfs/dbraw/zinc/99/80/62/561998062.db2.gz MZSPMQNFLVARLJ-UHFFFAOYSA-N 0 3 513.885 4.239 1 0 KIAFHN CN(C)CCN(C)C(=O)CN([C@@H]1CCCN(c2ccc(N3CCCCC3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125885 561998081 /nfs/dbraw/zinc/99/80/81/561998081.db2.gz VKRKFAWAOJZEOM-SSEXGKCCSA-N 0 3 672.223 4.356 1 0 KIAFHN CN(C)CCN(C)C(=O)CN([C@H]1CCCN(c2ccc(N3CCCCC3=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125886 561998091 /nfs/dbraw/zinc/99/80/91/561998091.db2.gz VKRKFAWAOJZEOM-PMERELPUSA-N 0 3 672.223 4.356 1 0 KIAFHN CC(=O)N1CCN(C(C)=O)[C@@H](CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 ZINC000029125914 561998203 /nfs/dbraw/zinc/99/82/03/561998203.db2.gz DYQFJFNSBREXDL-SANMLTNESA-N 0 3 503.622 4.141 1 0 KIAFHN CC(=O)N1CCN(C(C)=O)[C@H](CN2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 ZINC000029125915 561998194 /nfs/dbraw/zinc/99/81/94/561998194.db2.gz DYQFJFNSBREXDL-AREMUKBSSA-N 0 3 503.622 4.141 1 0 KIAFHN C[NH+](C)CCCOc1cc2c(cc1O)c1c(cc(-c3ccccc3Cl)c3c1C(=O)[N-]C3=O)n2CCO ZINC000029127076 561999411 /nfs/dbraw/zinc/99/94/11/561999411.db2.gz JAAWGUUOBQPIMA-UHFFFAOYSA-N 0 3 507.974 4.027 1 0 KIAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5c(cc4CC3)N(S(C)(=O)=O)CCO5)n2C)n1 ZINC000029127128 561999469 /nfs/dbraw/zinc/99/94/69/561999469.db2.gz UTIUIZHJMLEUQC-UHFFFAOYSA-N 0 3 578.764 4.080 1 0 KIAFHN Cc1ccc2c(cccc2-c2nnc(SCCCN3CCc4cc5c(cc4CC3)N(C)C(=O)CO5)n2C)n1 ZINC000029127175 561999506 /nfs/dbraw/zinc/99/95/06/561999506.db2.gz ZENBFJWQHFZSBC-UHFFFAOYSA-N 0 3 528.682 4.277 1 0 KIAFHN 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4.196 1 0 KIAFHN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(N(C)CCO)CC4)cc2)CC3)cc1 ZINC000040394962 562074353 /nfs/dbraw/zinc/07/43/53/562074353.db2.gz LRSKVRNPSWCPGL-UHFFFAOYSA-N 0 3 500.521 4.016 1 0 KIAFHN CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2OC)CC1)C(C)C ZINC000040395588 562074443 /nfs/dbraw/zinc/07/44/43/562074443.db2.gz IPSFANQKYGITFT-BCHFMIIMSA-N 0 3 533.088 4.048 1 0 KIAFHN CN(C)CCNC(=O)c1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040405253 562075005 /nfs/dbraw/zinc/07/50/05/562075005.db2.gz MGMZYTQUJVLCAB-UHFFFAOYSA-N 0 3 509.054 4.348 1 0 KIAFHN COc1cc(C(C)C)c(Oc2cnc(NCCN3CCCCC3)nc2N)cc1I ZINC000040423757 562076293 /nfs/dbraw/zinc/07/62/93/562076293.db2.gz QWGYVISNASORKE-UHFFFAOYSA-N 0 3 511.408 4.486 1 0 KIAFHN CN(CC(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@H]1CN1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000040428657 562076577 /nfs/dbraw/zinc/07/65/77/562076577.db2.gz DOQQONXLJXANJT-NRFANRHFSA-N 0 3 504.462 4.270 1 0 KIAFHN 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CN(C)CCN[C@H](CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000040566914 562077977 /nfs/dbraw/zinc/07/79/77/562077977.db2.gz ZDPXDMQHRLPMGG-HXUWFJFHSA-N 0 3 511.532 4.378 1 0 KIAFHN COc1cc(-n2cnc3cc(-c4ccc(S(C)(=O)=O)cc4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040619735 562078587 /nfs/dbraw/zinc/07/85/87/562078587.db2.gz GLQZRZPNHCBHHF-UHFFFAOYSA-N 0 3 525.652 4.001 1 0 KIAFHN CN1CC[NH+](CCCn2c3ccc(O)cc3c3c2cc(-c2ccccc2Cl)c2c3C(=O)[N-]C2=O)CC1 ZINC000040835184 562080042 /nfs/dbraw/zinc/08/00/42/562080042.db2.gz PAPHKUWLLIXGAD-UHFFFAOYSA-N 0 3 503.002 4.342 1 0 KIAFHN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN5CC[C@@H](O)C5)CC4)cc2)CC3)cc1 ZINC000040845193 562080110 /nfs/dbraw/zinc/08/01/10/562080110.db2.gz FEBYFUOHNKIQSC-OAQYLSRUSA-N 0 3 526.559 4.201 1 0 KIAFHN Clc1ccc2c(c1)nccc2NCCN1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1 ZINC000040846133 562080296 /nfs/dbraw/zinc/08/02/96/562080296.db2.gz YZEIHQUEBIRFTB-UHFFFAOYSA-N 0 3 536.128 4.288 1 0 KIAFHN CN(C)CCn1nc2c(n1)c(Br)c(Br)c(Br)c2Br ZINC000040846477 562080306 /nfs/dbraw/zinc/08/03/06/562080306.db2.gz RCWZEOABMAFDOO-UHFFFAOYSA-N 0 3 505.834 4.043 1 0 KIAFHN O=C(CN1CCCCC1)Nc1cc(CNCCN2CCOCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000040849152 562080705 /nfs/dbraw/zinc/08/07/05/562080705.db2.gz FXXPMAGDASAAAG-UHFFFAOYSA-N 0 3 537.108 4.478 1 0 KIAFHN COCCN(C(=O)Cc1ccccc1Br)[C@H]1c2cc(OC)c(OC)cc2CC[C@H]1N(C)C ZINC000040863985 562081049 /nfs/dbraw/zinc/08/10/49/562081049.db2.gz WWMHDPBRIAEOOK-BWKNWUBXSA-N 0 3 505.453 4.102 1 0 KIAFHN COCCN(C(=O)Cc1ccccc1Br)[C@H]1c2cc(OC)c(OC)cc2CC[C@@H]1N(C)C ZINC000040863987 562081087 /nfs/dbraw/zinc/08/10/87/562081087.db2.gz WWMHDPBRIAEOOK-OFVILXPXSA-N 0 3 505.453 4.102 1 0 KIAFHN COCCN(C(=O)Cc1ccccc1Br)[C@@H]1c2cc(OC)c(OC)cc2CC[C@H]1N(C)C ZINC000040863989 562081084 /nfs/dbraw/zinc/08/10/84/562081084.db2.gz WWMHDPBRIAEOOK-PXDATVDWSA-N 0 3 505.453 4.102 1 0 KIAFHN COCCN(C(=O)Cc1ccccc1Br)[C@@H]1c2cc(OC)c(OC)cc2CC[C@@H]1N(C)C ZINC000040863991 562081104 /nfs/dbraw/zinc/08/11/04/562081104.db2.gz WWMHDPBRIAEOOK-SQJMNOBHSA-N 0 3 505.453 4.102 1 0 KIAFHN CC(=O)NCCNCc1ccc(C(=O)NCCCCn2c3ccc(O)cc3c(C)c2-c2ccc(O)cc2)cc1 ZINC000040873946 562081753 /nfs/dbraw/zinc/08/17/53/562081753.db2.gz KLCNVHZSLYFXDI-UHFFFAOYSA-N 0 3 528.653 4.464 1 0 KIAFHN CC(=O)c1sc(NC(=O)N[C@]2(C)CN(C)C(=O)O[C@@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877394 562082296 /nfs/dbraw/zinc/08/22/96/562082296.db2.gz ZAGLIRVCRPDDPG-JDRJUVJTSA-N 0 3 531.654 4.079 1 0 KIAFHN CC(=O)c1sc(NC(=O)N[C@@]2(C)CN(C)C(=O)O[C@@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877398 562082268 /nfs/dbraw/zinc/08/22/68/562082268.db2.gz ZAGLIRVCRPDDPG-UTAZYMRLSA-N 0 3 531.654 4.079 1 0 KIAFHN CC(=O)c1sc(NC(=O)N[C@]2(C)CN(C)C(=O)O[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877402 562082345 /nfs/dbraw/zinc/08/23/45/562082345.db2.gz ZAGLIRVCRPDDPG-HEKZAOSPSA-N 0 3 531.654 4.079 1 0 KIAFHN CC(=O)c1sc(NC(=O)N[C@@]2(C)CN(C)C(=O)O[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877406 562082339 /nfs/dbraw/zinc/08/23/39/562082339.db2.gz ZAGLIRVCRPDDPG-ZVOVDXHFSA-N 0 3 531.654 4.079 1 0 KIAFHN CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000040877766 562082316 /nfs/dbraw/zinc/08/23/16/562082316.db2.gz DJUMIBAWSMGVLY-CLOONOSVSA-N 0 3 503.062 4.039 1 0 KIAFHN CCN(CCCN1CCC2(CC1)OCc1cc(F)ncc12)C(=O)[C@@H](c1ccc(F)c(F)c1)n1cccn1 ZINC000040879658 562082465 /nfs/dbraw/zinc/08/24/65/562082465.db2.gz CMNZKLJBUSCMMX-RUZDIDTESA-N 0 3 513.564 4.045 1 0 KIAFHN CCN(CCCN1CCC2(CC1)OCc1cc(F)ncc12)C(=O)[C@H](c1ccc(F)c(F)c1)n1cccn1 ZINC000040879662 562082463 /nfs/dbraw/zinc/08/24/63/562082463.db2.gz CMNZKLJBUSCMMX-VWLOTQADSA-N 0 3 513.564 4.045 1 0 KIAFHN O=C(/C=C/c1ccc(Cl)cc1)O[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532 ZINC000040899355 562083293 /nfs/dbraw/zinc/08/32/93/562083293.db2.gz SHGIEUUYOPTYHQ-DNIKMYEQSA-N 0 3 505.998 4.443 1 0 KIAFHN CC(C)N1CCN(c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4C(F)(F)F)C[C@H]3C)c2)CC1 ZINC000040934200 562084729 /nfs/dbraw/zinc/08/47/29/562084729.db2.gz OKLULYSRPLVXSO-LJQANCHMSA-N 0 3 528.616 4.274 1 0 KIAFHN N[C@@H](Cn1c(=O)c(-c2ccc(CO)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000040954019 562086427 /nfs/dbraw/zinc/08/64/27/562086427.db2.gz OEBZYYGQPIDGKZ-DEOSSOPVSA-N 0 3 513.491 4.076 1 0 KIAFHN CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(CNCc3ccccc3)ccc21 ZINC000040954820 562086553 /nfs/dbraw/zinc/08/65/53/562086553.db2.gz IXXBKMMVWWTOCC-UHFFFAOYSA-N 0 3 500.628 4.801 1 0 KIAFHN CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1 ZINC000040957045 562086686 /nfs/dbraw/zinc/08/66/86/562086686.db2.gz JVGOJMPFDKELFD-UHFFFAOYSA-N 0 3 501.693 4.147 1 0 in-vitro KIAFHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 ZINC000040957443 562086765 /nfs/dbraw/zinc/08/67/65/562086765.db2.gz FLRJZLPYUIALNM-NRFANRHFSA-N 0 3 524.470 4.245 1 0 KIAFHN CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN(CCc2ccc(Cl)c(Cl)c2)Cc2cccnc2)cc1 ZINC000040957446 562086677 /nfs/dbraw/zinc/08/66/77/562086677.db2.gz NYLLWWYSSORDHQ-NRFANRHFSA-N 0 3 524.470 4.245 1 0 KIAFHN CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc(Cl)c3)n2)CC1 ZINC000040973220 562087054 /nfs/dbraw/zinc/08/70/54/562087054.db2.gz GEXXWFJVTORBID-UHFFFAOYSA-N 0 3 504.944 4.312 1 0 KIAFHN COc1cc2c(cc1OCCCCN1CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000042803896 562088452 /nfs/dbraw/zinc/08/84/52/562088452.db2.gz BGMWDIYZFNWQTD-VWLOTQADSA-N 0 3 609.727 4.242 1 0 KIAFHN COC(=O)c1ccc(C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnccn1 ZINC000042804058 562088649 /nfs/dbraw/zinc/08/86/49/562088649.db2.gz XFRXCSTXTDDQQT-UHFFFAOYSA-N 0 3 595.656 4.386 1 0 KIAFHN CCOC(=O)CNCc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)cc1 ZINC000042804663 562088866 /nfs/dbraw/zinc/08/88/66/562088866.db2.gz CGMLBVPTUVDZPK-MHZLTWQESA-N 0 3 598.597 4.236 1 0 KIAFHN O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc21 ZINC000042804905 562088919 /nfs/dbraw/zinc/08/89/19/562088919.db2.gz HNJNAEXTPCOYET-LEAFIULHSA-N 0 3 574.703 4.219 1 0 KIAFHN C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c1 ZINC000042805240 562089007 /nfs/dbraw/zinc/08/90/07/562089007.db2.gz OPEFBQNDWAJEEH-INIZCTEOSA-N 0 3 603.598 4.316 1 0 KIAFHN COc1ccccc1OCCN1CCN(c2cnn(CCCCN3CCN(c4ccccc4OC(C)C)CC3)c(=O)c2Cl)CC1 ZINC000042806569 562089704 /nfs/dbraw/zinc/08/97/04/562089704.db2.gz CZSKONNGFVGGGW-UHFFFAOYSA-N 0 3 639.241 4.496 1 0 KIAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(Cc6ccc7c(c6)OCO7)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000042806769 562089800 /nfs/dbraw/zinc/08/98/00/562089800.db2.gz IAOXYOHMYPHVLC-NGZZPPDDSA-N 0 3 510.719 4.276 1 0 KIAFHN COc1cc2c(cc1OC)[C@H](Cc1ccccc1)N(CCn1ncc3c4nc(-c5ccco5)nn4c(N)nc31)CC2 ZINC000042851532 581093573 /nfs/dbraw/zinc/09/35/73/581093573.db2.gz WQKKBJJIAPXMJO-QHCPKHFHSA-N 0 3 550.623 4.176 1 0 KIAFHN COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)N(CCn1ncc3c4nc(-c5ccco5)nn4c(N)nc31)CC2 ZINC000042851534 581093538 /nfs/dbraw/zinc/09/35/38/581093538.db2.gz WQKKBJJIAPXMJO-HSZRJFAPSA-N 0 3 550.623 4.176 1 0 KIAFHN CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H](c3ccccc3)c3ccc4ccccc4c3)N2C1=O ZINC000042887538 581093965 /nfs/dbraw/zinc/09/39/65/581093965.db2.gz MKYCFUQCPNJXDQ-MYHRABSESA-N 0 3 526.681 4.201 1 0 KIAFHN CC(=O)Nc1cccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)c1 ZINC000043024358 562645015 /nfs/dbraw/zinc/64/50/15/562645015.db2.gz VRRXJIFGRFWALI-UHFFFAOYSA-N 0 3 511.630 4.125 1 0 KIAFHN O=C(C=C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1 ZINC000043025609 562645063 /nfs/dbraw/zinc/64/50/63/562645063.db2.gz CEGOGJRTCSTEOH-AREMUKBSSA-N 0 3 515.585 4.261 1 0 KIAFHN O=C(NCC12CC3CC(CC(C3)C1)C2)c1c(Cl)ccc2nc(N3CCC[C@H]([NH2+]CCc4nn[n-]n4)C3)ccc21 ZINC000043063938 562645292 /nfs/dbraw/zinc/64/52/92/562645292.db2.gz CZOLYIGPNKZOTG-CKMRVLJOSA-N 0 3 549.123 4.149 1 0 KIAFHN O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000043064292 562645313 /nfs/dbraw/zinc/64/53/13/562645313.db2.gz XPBAUQRKCOGQBD-UHFFFAOYSA-N 0 3 531.623 4.458 1 0 KIAFHN COc1ccc(O)c(C(=O)N2CCC(=CC(=O)N[C@@H]3CCN(Cc4ccc5cc(F)ccc5c4)C3)CC2)c1 ZINC000043065535 562645371 /nfs/dbraw/zinc/64/53/71/562645371.db2.gz ZNFBEAQCHXSVEN-RUZDIDTESA-N 0 3 517.601 4.246 1 0 KIAFHN COc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)c([O-])c1 ZINC000043066982 562645436 /nfs/dbraw/zinc/64/54/36/562645436.db2.gz HYNMLEFKVAYGCJ-RUZDIDTESA-N 0 3 517.601 4.246 1 0 KIAFHN COc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)c([O-])c1 ZINC000043066982 562645435 /nfs/dbraw/zinc/64/54/35/562645435.db2.gz HYNMLEFKVAYGCJ-RUZDIDTESA-N 0 3 517.601 4.246 1 0 KIAFHN CN(C)CCOc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO ZINC000043074917 562645644 /nfs/dbraw/zinc/64/56/44/562645644.db2.gz UPRWKJZEUOZNDD-UHFFFAOYSA-N 0 3 509.550 4.317 1 0 KIAFHN CN1CCC[C@H](COc2ccc(CCNC(=O)c3ccc(Br)o3)cc2Br)C1 ZINC000043079496 562645777 /nfs/dbraw/zinc/64/57/77/562645777.db2.gz GALIMZYQAGRPHT-HNNXBMFYSA-N 0 3 500.231 4.498 1 0 KIAFHN CN1CCC[C@@H](COc2ccc(CCNC(=O)c3ccc(Br)o3)cc2Br)C1 ZINC000043079500 562645826 /nfs/dbraw/zinc/64/58/26/562645826.db2.gz GALIMZYQAGRPHT-OAHLLOKOSA-N 0 3 500.231 4.498 1 0 KIAFHN C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(OCCN(C)C)cc1Cl ZINC000043080285 562645829 /nfs/dbraw/zinc/64/58/29/562645829.db2.gz YARQGMNXAANHIE-OAHLLOKOSA-N 0 3 523.980 4.338 1 0 KIAFHN COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C(C)C)CC4)c3C2=O)cc1OC ZINC000043153953 562646507 /nfs/dbraw/zinc/64/65/07/562646507.db2.gz IFBYVMFECJDESG-XMMPIXPASA-N 0 3 626.801 4.392 1 0 KIAFHN CO[C@@]1([N-]c2[nH]c3ccccc3[nH+]2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(C)=O)CS[C@@H]21 ZINC000043322500 562647655 /nfs/dbraw/zinc/64/76/55/562647655.db2.gz XCNJHPZGYLEFKX-VEEOACQBSA-N 0 3 584.654 4.383 1 0 KIAFHN CO[C@@]1([N-]c2[nH]c3ccccc3[nH+]2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(COC(C)=O)CS[C@H]21 ZINC000043322503 562647625 /nfs/dbraw/zinc/64/76/25/562647625.db2.gz XCNJHPZGYLEFKX-SMCANUKXSA-N 0 3 584.654 4.383 1 0 KIAFHN CN(Cc1ccc(-n2cnn(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523748 562648845 /nfs/dbraw/zinc/64/88/45/562648845.db2.gz VFRYARUWEZEMMO-JGCGQSQUSA-N 0 3 587.675 4.269 1 0 KIAFHN CN(Cc1ccc(-n2cnn(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523751 562648852 /nfs/dbraw/zinc/64/88/52/562648852.db2.gz VFRYARUWEZEMMO-YTTGMZPUSA-N 0 3 587.675 4.269 1 0 KIAFHN CN(Cc1ccc(-n2cnn(CC(=O)c3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523959 562648895 /nfs/dbraw/zinc/64/88/95/562648895.db2.gz LSWLKAFCGMFKJA-MGBGTMOVSA-N 0 3 615.685 4.104 1 0 KIAFHN CN(Cc1ccc(-n2cnn(CC(=O)c3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523962 562648885 /nfs/dbraw/zinc/64/88/85/562648885.db2.gz LSWLKAFCGMFKJA-XIFFEERXSA-N 0 3 615.685 4.104 1 0 KIAFHN Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCC[NH3+])c3Cl)c2n1 ZINC000043524112 562648919 /nfs/dbraw/zinc/64/89/19/562648919.db2.gz ROSOSFPKUNKXOQ-UHFFFAOYSA-N 0 3 553.512 4.259 1 0 KIAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCCN4CCN(C)CC4)c3Cl)c2n1 ZINC000043524263 562648996 /nfs/dbraw/zinc/64/89/96/562648996.db2.gz MSZISYOKSODETJ-UHFFFAOYSA-N 0 3 622.619 4.240 1 0 KIAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NC4CC[NH2+]CC4)c3Cl)c2n1 ZINC000043524474 562649044 /nfs/dbraw/zinc/64/90/44/562649044.db2.gz RTMKEWQYEOAKOS-UHFFFAOYSA-N 0 3 565.523 4.354 1 0 KIAFHN CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(CNS(=O)(=O)Cc3ccccc3)c2)CC1 ZINC000043531675 562649145 /nfs/dbraw/zinc/64/91/45/562649145.db2.gz NLVZOSKAXPAIEU-UHFFFAOYSA-N 0 3 533.723 4.076 1 0 KIAFHN CN1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(CNS(=O)(=O)Cc5ccccc5)c4)n[nH]c2-3)CC1 ZINC000043531675 562649144 /nfs/dbraw/zinc/64/91/44/562649144.db2.gz NLVZOSKAXPAIEU-UHFFFAOYSA-N 0 3 533.723 4.076 1 0 KIAFHN CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4ccc(O)cc4[nH]3)[C@H]2SC1 ZINC000043640977 562650413 /nfs/dbraw/zinc/65/04/13/562650413.db2.gz DXVDQIBBHQOQGW-UFHPHHKVSA-N 0 3 570.627 4.114 1 0 KIAFHN CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4ccc(O)cc4[nH]3)[C@@H]2SC1 ZINC000043640978 562650449 /nfs/dbraw/zinc/65/04/49/562650449.db2.gz DXVDQIBBHQOQGW-YWEHKCAJSA-N 0 3 570.627 4.114 1 0 KIAFHN CN(Cc1ccc(NC(=O)c2ccc(I)cc2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044031889 562651649 /nfs/dbraw/zinc/65/16/49/562651649.db2.gz LCWQSHGROBERNL-AREMUKBSSA-N 0 3 603.411 4.433 1 0 KIAFHN CN(Cc1ccc(NC(=O)c2ccc(I)cc2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044031891 562651665 /nfs/dbraw/zinc/65/16/65/562651665.db2.gz LCWQSHGROBERNL-SANMLTNESA-N 0 3 603.411 4.433 1 0 KIAFHN Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCCC[NH3+])c3Cl)c2n1 ZINC000044032059 562651744 /nfs/dbraw/zinc/65/17/44/562651744.db2.gz AYUDNBLXRIFKSX-UHFFFAOYSA-N 0 3 553.512 4.341 1 0 KIAFHN O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCCNCC1 ZINC000044138319 562652450 /nfs/dbraw/zinc/65/24/50/562652450.db2.gz JJWXZYGMUWBMKS-ZWXJPIIXSA-N 0 3 578.757 4.215 1 0 KIAFHN CNCC(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c1 ZINC000044280940 562652984 /nfs/dbraw/zinc/65/29/84/562652984.db2.gz SBTUGPDRXPPQIM-UHFFFAOYSA-N 0 3 603.598 4.189 1 0 KIAFHN CC(C)Oc1ccccc1N1CCN(CCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000044281502 562653142 /nfs/dbraw/zinc/65/31/42/562653142.db2.gz LZMWGGSBQLHRJA-UHFFFAOYSA-N 0 3 597.160 4.232 1 0 KIAFHN CCOc1ccccc1OCCN1CCN(c2cnn(CCCCN3CCN(c4ccccc4OCC)CC3)c(=O)c2Cl)CC1 ZINC000044306451 562653761 /nfs/dbraw/zinc/65/37/61/562653761.db2.gz FPWKKWDHVZSTBB-UHFFFAOYSA-N 0 3 639.241 4.498 1 0 KIAFHN CCOc1ccccc1N1CCN(CCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044306776 562653866 /nfs/dbraw/zinc/65/38/66/562653866.db2.gz OTUDEOHGWREBHB-HHHXNRCGSA-N 0 3 637.225 4.250 1 0 KIAFHN CCOc1ccccc1N1CCN(CCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044306782 562653857 /nfs/dbraw/zinc/65/38/57/562653857.db2.gz OTUDEOHGWREBHB-MHZLTWQESA-N 0 3 637.225 4.250 1 0 KIAFHN CN(C)CCNC(=O)[C@@H]1[C@@H]2c3cccc(=O)n3C[C@H]([C@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000044307052 562653929 /nfs/dbraw/zinc/65/39/29/562653929.db2.gz OLLOCGKHFIQEMT-GJPOJPNFSA-N 0 3 590.149 4.138 1 0 KIAFHN CCn1nnc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(C(F)(F)F)c1)cc2N1CCCC1=O ZINC000044350985 562654474 /nfs/dbraw/zinc/65/44/74/562654474.db2.gz WJVIKTWKVRMSDW-RPLLCQBOSA-N 0 3 594.638 4.089 1 0 KIAFHN CCOc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000044351327 562654610 /nfs/dbraw/zinc/65/46/10/562654610.db2.gz NROFHXQHWGYFIF-UHFFFAOYSA-N 0 3 597.160 4.233 1 0 KIAFHN CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)N)CC1 ZINC000044351333 562654627 /nfs/dbraw/zinc/65/46/27/562654627.db2.gz QFLBFNKELTVWCI-HSZRJFAPSA-N 0 3 549.543 4.114 1 0 KIAFHN CCOc1ccccc1N1CCN(CCCCCn2ncc(N3CCN(CCOc4ccccc4OC)CC3)c(Cl)c2=O)CC1 ZINC000044351487 562654672 /nfs/dbraw/zinc/65/46/72/562654672.db2.gz WUABEZUVNYJZHI-UHFFFAOYSA-N 0 3 639.241 4.498 1 0 KIAFHN CC(C)Oc1ccccc1N1CCN(CCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044351641 562654793 /nfs/dbraw/zinc/65/47/93/562654793.db2.gz VUQADCUHTFESAZ-HHHXNRCGSA-N 0 3 637.225 4.248 1 0 KIAFHN CC(C)Oc1ccccc1N1CCN(CCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044351643 562654759 /nfs/dbraw/zinc/65/47/59/562654759.db2.gz VUQADCUHTFESAZ-MHZLTWQESA-N 0 3 637.225 4.248 1 0 KIAFHN Cc1cc(N2CCC(N3CCN(C)CC3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000044351693 562654832 /nfs/dbraw/zinc/65/48/32/562654832.db2.gz ZJATUHGFXPEBQJ-HHHXNRCGSA-N 0 3 576.145 4.242 1 0 KIAFHN COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3C[C@H](OC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)C[C@H]2N3C)cc(OC)c1OC ZINC000044351829 562654913 /nfs/dbraw/zinc/65/49/13/562654913.db2.gz QRMASVGVVOOIOZ-WDWIJTSISA-N 0 3 597.661 4.155 1 0 KIAFHN CN(C)CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(=O)cccc3[C@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000044352184 562655057 /nfs/dbraw/zinc/65/50/57/562655057.db2.gz OLLOCGKHFIQEMT-SFNAGVRGSA-N 0 3 590.149 4.138 1 0 KIAFHN COc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044358316 562655304 /nfs/dbraw/zinc/65/53/04/562655304.db2.gz YUBKGGQNHRNCBQ-HHHXNRCGSA-N 0 3 637.225 4.250 1 0 KIAFHN COc1ccccc1N1CCN(CCCCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044358326 562655308 /nfs/dbraw/zinc/65/53/08/562655308.db2.gz YUBKGGQNHRNCBQ-MHZLTWQESA-N 0 3 637.225 4.250 1 0 KIAFHN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044360033 562655555 /nfs/dbraw/zinc/65/55/55/562655555.db2.gz PKPFNTFRQQQTRZ-IADCTJSHSA-N 0 3 553.769 4.382 1 0 KIAFHN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000044360040 562655558 /nfs/dbraw/zinc/65/55/58/562655558.db2.gz PKPFNTFRQQQTRZ-BTYSJIOQSA-N 0 3 553.769 4.382 1 0 KIAFHN N[C@@H](Cn1c(=O)c(-c2ccc(C[NH2+]CCC(=O)[O-])cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000044360181 562655563 /nfs/dbraw/zinc/65/55/63/562655563.db2.gz YPZFFAQSKANNPU-SANMLTNESA-N 0 3 584.570 4.148 1 0 KIAFHN CN1CCN(CCCn2nnc3c2c(Br)c(Br)c(Br)c3Br)CC1 ZINC000044361225 562655723 /nfs/dbraw/zinc/65/57/23/562655723.db2.gz GUFUTNSTANSZLU-UHFFFAOYSA-N 0 3 574.941 4.119 1 0 KIAFHN C[NH+](C)CCNC(=O)CCn1c2ccc(O)cc2c2c1cc(-c1c(Cl)cccc1Cl)c1c2C(=O)[N-]C1=O ZINC000044386746 562655984 /nfs/dbraw/zinc/65/59/84/562655984.db2.gz BNQBDBVYIMKEKS-UHFFFAOYSA-N 0 3 539.419 4.425 1 0 KIAFHN CCOP(=O)(CCCN1CCN(CCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC ZINC000044386919 562655977 /nfs/dbraw/zinc/65/59/77/562655977.db2.gz PVBLRHUACWQHFD-QFIPXVFZSA-N 0 3 550.637 4.058 1 0 KIAFHN CCOP(=O)(CCCN1CCN(CCCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC ZINC000044387002 562656012 /nfs/dbraw/zinc/65/60/12/562656012.db2.gz AJGITESNKFVRAC-QHCPKHFHSA-N 0 3 564.664 4.449 1 0 KIAFHN CCOP(=O)(CCN1CCN(CCCCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC ZINC000044388282 562656312 /nfs/dbraw/zinc/65/63/12/562656312.db2.gz COOVHJHQCPOPQQ-QHCPKHFHSA-N 0 3 564.664 4.449 1 0 KIAFHN COc1cccc(-c2nn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F ZINC000044404243 562656434 /nfs/dbraw/zinc/65/64/34/562656434.db2.gz MSAMWXAZPNGSOJ-FQEVSTJZSA-N 0 3 532.469 4.126 1 0 KIAFHN CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)N)CC1 ZINC000044417526 562657126 /nfs/dbraw/zinc/65/71/26/562657126.db2.gz CUUFUHLBAFFVTP-NOZRDPDXSA-N 0 3 549.543 4.186 1 0 KIAFHN CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)N)CC1 ZINC000044417530 562657133 /nfs/dbraw/zinc/65/71/33/562657133.db2.gz CUUFUHLBAFFVTP-ILBGXUMGSA-N 0 3 549.543 4.186 1 0 KIAFHN CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H](O)CC(C)C)CC1 ZINC000044417627 562657158 /nfs/dbraw/zinc/65/71/58/562657158.db2.gz NHCSMYADIOXPMH-RSXGOPAZSA-N 0 3 563.570 4.447 1 0 KIAFHN CNC(C)(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H](O)CC(C)C)CC1 ZINC000044417631 562657147 /nfs/dbraw/zinc/65/71/47/562657147.db2.gz NHCSMYADIOXPMH-AOYPEHQESA-N 0 3 563.570 4.447 1 0 KIAFHN CC(C)CC(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C(C)(C)N)CC1 ZINC000044417697 562657152 /nfs/dbraw/zinc/65/71/52/562657152.db2.gz VSIYVDQKTKABRE-HSZRJFAPSA-N 0 3 547.527 4.336 1 0 KIAFHN COc1ccc(CNCc2ccc(F)cc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1 ZINC000045186737 562658213 /nfs/dbraw/zinc/65/82/13/562658213.db2.gz JZZNHEHXXWKELA-UHFFFAOYSA-N 0 3 503.665 4.227 1 0 KIAFHN COc1ccc(CNCc2ccc(F)cc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)c(C)c1 ZINC000045188517 562658358 /nfs/dbraw/zinc/65/83/58/562658358.db2.gz DVFVGHMYYUQURE-UHFFFAOYSA-N 0 3 511.663 4.474 1 0 KIAFHN COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCCN1CCC(N2CCN(C)CC2)CC1 ZINC000045188857 562658321 /nfs/dbraw/zinc/65/83/21/562658321.db2.gz FLSKSNVAZNUDMO-JXMROGBWSA-N 0 3 513.082 4.091 1 0 KIAFHN COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCN4CCC(CCN(C)C)CC4)c3)nc2)cn1 ZINC000045190362 562658520 /nfs/dbraw/zinc/65/85/20/562658520.db2.gz OROCBRWBUSDYRO-UHFFFAOYSA-N 0 3 523.703 4.333 1 0 KIAFHN COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)[N-]CCN2CCCC2)s1 ZINC000045191644 562658549 /nfs/dbraw/zinc/65/85/49/562658549.db2.gz FFNAKXKKBJBJPR-UHFFFAOYSA-N 0 3 511.713 4.055 1 0 KIAFHN COc1ccc2ccc(F)c(CC(=O)N3CCO[C@H](CNCc4cccc(-c5ccsc5)n4)C3)c2n1 ZINC000045192150 562658655 /nfs/dbraw/zinc/65/86/55/562658655.db2.gz QCXROWAISNKXHL-OAQYLSRUSA-N 0 3 506.603 4.066 1 0 KIAFHN COc1ccc2ccc(F)c(CC(=O)N3CCO[C@@H](CNCc4cccc(-c5ccsc5)n4)C3)c2n1 ZINC000045192152 562658612 /nfs/dbraw/zinc/65/86/12/562658612.db2.gz QCXROWAISNKXHL-NRFANRHFSA-N 0 3 506.603 4.066 1 0 KIAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(C)C)cc(N3CCCC3=O)c2)c1 ZINC000045195635 562658938 /nfs/dbraw/zinc/65/89/38/562658938.db2.gz QPGAFZQTHJTVFI-XZWHSSHBSA-N 0 3 529.681 4.437 1 0 KIAFHN COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)[N-]CCN2CCCC2)c(F)c1 ZINC000045195724 562658946 /nfs/dbraw/zinc/65/89/46/562658946.db2.gz ZZLVSOQYHSJFDZ-UHFFFAOYSA-N 0 3 523.674 4.132 1 0 KIAFHN COc1ccc(CNCc2ccccc2)cc1-c1ccc(OC)c(S(=O)(=O)NCCN2CCCC2)c1 ZINC000045195764 562658952 /nfs/dbraw/zinc/65/89/52/562658952.db2.gz VAKPQDNNUSKCMF-UHFFFAOYSA-N 0 3 509.672 4.035 1 0 KIAFHN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045201884 562659128 /nfs/dbraw/zinc/65/91/28/562659128.db2.gz CIGBDANQFZUDDM-QHCPKHFHSA-N 0 3 500.426 4.385 1 0 KIAFHN CN(C)CCC1CCN(CCS(=O)(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)CC1 ZINC000045202191 562659092 /nfs/dbraw/zinc/65/90/92/562659092.db2.gz DKVVKVZUMPRTKN-UHFFFAOYSA-N 0 3 511.667 4.464 1 0 KIAFHN COc1ccc(C[NH2+]CCc2cccs2)cc1-c1ccc(S(=O)(=O)[N-]CCN2CCCC2)s1 ZINC000045210197 562659304 /nfs/dbraw/zinc/65/93/04/562659304.db2.gz NYAGQWMZMPKPHH-UHFFFAOYSA-N 0 3 505.731 4.192 1 0 KIAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4ccc(C5(C(F)(F)F)N=N5)cc4)CC3)c2c1 ZINC000045226721 562659376 /nfs/dbraw/zinc/65/93/76/562659376.db2.gz SIOAHXJVHRHNDR-QHCPKHFHSA-N 0 3 513.520 4.352 1 0 KIAFHN CCOC(=O)CCc1cc(F)c(F)c(OC[C@H](O)CNC(C)(C)[C@H](O)c2ccc3ccccc3c2)c1 ZINC000045227603 562659393 /nfs/dbraw/zinc/65/93/93/562659393.db2.gz DSIYDYJGHYSKKA-AJTFRIOCSA-N 0 3 501.570 4.455 1 0 KIAFHN CCOC(=O)CCc1cc(F)c(F)c(OC[C@H](O)CNC(C)(C)[C@@H](O)c2ccc3ccccc3c2)c1 ZINC000045227606 562659401 /nfs/dbraw/zinc/65/94/01/562659401.db2.gz DSIYDYJGHYSKKA-AMGIVPHBSA-N 0 3 501.570 4.455 1 0 KIAFHN COc1ccc2ccc(F)c(CC(=O)N3CCO[C@H](CNCc4cccc(-c5ccc(F)cc5)n4)C3)c2n1 ZINC000045231073 562659647 /nfs/dbraw/zinc/65/96/47/562659647.db2.gz YHNGFCICHCHSMX-HSZRJFAPSA-N 0 3 518.564 4.143 1 0 KIAFHN COc1ccc2ccc(F)c(CC(=O)N3CCO[C@@H](CNCc4cccc(-c5ccc(F)cc5)n4)C3)c2n1 ZINC000045231078 562659627 /nfs/dbraw/zinc/65/96/27/562659627.db2.gz YHNGFCICHCHSMX-QHCPKHFHSA-N 0 3 518.564 4.143 1 0 KIAFHN CCc1cc2c(nc(N3CCNCC3)nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000045245081 562659681 /nfs/dbraw/zinc/65/96/81/562659681.db2.gz LVTKZEJEKSQHMI-UHFFFAOYSA-N 0 3 512.683 4.293 1 0 KIAFHN O=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)c(Cl)c1 ZINC000045245304 562659767 /nfs/dbraw/zinc/65/97/67/562659767.db2.gz VKQDVVFNDNSOHJ-UHFFFAOYSA-N 0 3 534.104 4.330 1 0 KIAFHN CS[C@H]1CC[C@@](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1 ZINC000045254191 562659848 /nfs/dbraw/zinc/65/98/48/562659848.db2.gz FHHVBAOKGVENQJ-RVUATISTSA-N 0 3 519.702 4.228 1 0 KIAFHN CN(Cc1ccc2c(ccn2C(=O)c2ccccc2)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045255945 562659870 /nfs/dbraw/zinc/65/98/70/562659870.db2.gz GJMQQYMSCDEBTA-MUUNZHRXSA-N 0 3 501.537 4.219 1 0 KIAFHN CN(Cc1ccc2c(ccn2C(=O)c2ccccc2)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045255949 562659873 /nfs/dbraw/zinc/65/98/73/562659873.db2.gz GJMQQYMSCDEBTA-NDEPHWFRSA-N 0 3 501.537 4.219 1 0 KIAFHN 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ZINC000045347498 562661648 /nfs/dbraw/zinc/66/16/48/562661648.db2.gz KYAFNYNBCMIICY-DEOSSOPVSA-N 0 3 510.656 4.139 1 0 KIAFHN COc1ccc2c(c1)OC[C@H](Cc1ccc(OCCN(C)C)cc1)N(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000045354098 562661882 /nfs/dbraw/zinc/66/18/82/562661882.db2.gz SBKYIJHSNLKYPC-DEOSSOPVSA-N 0 3 510.656 4.139 1 0 KIAFHN NC(=O)COc1cccc2c1CCN(CCN1CCC(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC1)C2 ZINC000048307294 562662891 /nfs/dbraw/zinc/66/28/91/562662891.db2.gz CEGYYNUQUVKZSO-UHFFFAOYSA-N 0 3 547.099 4.124 1 0 KIAFHN C[C@@]12C[C@@H](Nc3nc(NCCc4ccc(O)cc4)nc(N4CCNCC4)n3)C[C@@H](C1)c1cccc(Cl)c1O2 ZINC000048307378 562663095 /nfs/dbraw/zinc/66/30/95/562663095.db2.gz GZMGYSXZAAHTJZ-JVAKCPTJSA-N 0 3 536.080 4.194 1 0 KIAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1 ZINC000049055713 562663915 /nfs/dbraw/zinc/66/39/15/562663915.db2.gz PDPPXLVUFNSPHS-HDBFHEOPSA-N 0 3 524.662 4.285 1 0 KIAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc32)c(F)s1)C1CCOCC1 ZINC000049069871 562664102 /nfs/dbraw/zinc/66/41/02/562664102.db2.gz WPUCUMPNTFVXFM-RTFZILSDSA-N 0 3 524.662 4.285 1 0 KIAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ncnc2-c2ccccc2)s1)C1CCCCC1 ZINC000049072335 562664239 /nfs/dbraw/zinc/66/42/39/562664239.db2.gz XOMVTFGAOHFQCH-XJABCFGWSA-N 0 3 506.676 4.090 1 0 KIAFHN COC(=O)Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049088341 562664337 /nfs/dbraw/zinc/66/43/37/562664337.db2.gz BYTUZXFPQGUPIA-UHFFFAOYSA-N 0 3 527.629 4.345 1 0 KIAFHN Cc1cc(CN2CCN(c3c4[nH]c(-c5ccc(CN(C)C)cc5)nc4ncc3Br)CC2)no1 ZINC000049112636 562664617 /nfs/dbraw/zinc/66/46/17/562664617.db2.gz MAAOTDJLPPSMRD-UHFFFAOYSA-N 0 3 510.440 4.068 1 0 KIAFHN Cc1ncnc(C)c1C(=O)N1C[C@H]2CN(CC[C@H](NC(=O)CC3CCCC3)c3cccc(F)c3)C[C@H]2C1 ZINC000049113148 562664657 /nfs/dbraw/zinc/66/46/57/562664657.db2.gz ZCKAAYPRCYMCMR-GSLIJJQTSA-N 0 3 507.654 4.064 1 0 KIAFHN CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc32)cs1)C1CCOCC1 ZINC000049113231 562664649 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/nfs/dbraw/zinc/66/61/42/562666142.db2.gz KHFZFEWKZCIZLE-UHFFFAOYSA-N 0 3 556.505 4.359 1 0 KIAFHN Cn1cc(NC(=O)c2ccc(C(O)c3ccc(C(=O)Nc4cc(C(=O)NCCN5CCCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCCN1CCCCC1 ZINC000049615793 562666731 /nfs/dbraw/zinc/66/67/31/562666731.db2.gz MMSOBTBFWNZOOU-UHFFFAOYSA-N 0 3 736.918 4.381 1 0 KIAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)/C=C/c4cc(F)cc(Br)c4)CC3)c2c1 ZINC000049625734 562666812 /nfs/dbraw/zinc/66/68/12/562666812.db2.gz UOVYGDORXLWNIB-PDXRRZLKSA-N 0 3 528.422 4.472 1 0 KIAFHN COc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5OCCN(C)C)cc4)CC3)nc(N)c2cc1OC ZINC000049625969 562666956 /nfs/dbraw/zinc/66/69/56/562666956.db2.gz UOOOKRKXVFZRGK-UHFFFAOYSA-N 0 3 655.800 4.185 1 0 KIAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H]4Cc5ccccc5CN4C(=O)OC(C)(C)C)CC3)c2c1 ZINC000049626301 562667126 /nfs/dbraw/zinc/66/71/26/562667126.db2.gz VHJAMOJVBAAAEV-VMPREFPWSA-N 0 3 560.695 4.219 1 0 KIAFHN 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CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3ccncc3)C(=O)O[C@@]21C ZINC000049649311 562667857 /nfs/dbraw/zinc/66/78/57/562667857.db2.gz CDBDGVZCANRQKV-DAZWJVGDSA-N 0 3 702.890 4.031 1 0 KIAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C(C)C)C(=O)O[C@@]21C ZINC000049649313 562667853 /nfs/dbraw/zinc/66/78/53/562667853.db2.gz KXYGTWJUSJSIBE-CVSICMKHSA-N 0 3 638.843 4.340 1 0 KIAFHN CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCc3cccnc3)C(=O)O[C@@]21C ZINC000049649332 562667795 /nfs/dbraw/zinc/66/77/95/562667795.db2.gz ILTNRESMJLUFIS-JDWQTDEZSA-N 0 3 702.890 4.031 1 0 KIAFHN Cn1cc(NC(=O)c2ccc(Cc3ccc(C(=O)Nc4cc(C(=O)NCCN5CCCC5)n(C)c4)cc3)cc2)cc1C(=O)NCCN1CCCC1 ZINC000049650157 562667997 /nfs/dbraw/zinc/66/79/97/562667997.db2.gz AHVSQKVABQOKOR-UHFFFAOYSA-N 0 3 692.865 4.110 1 0 KIAFHN CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](Nc2cccnc2)NC1 ZINC000049670133 562668219 /nfs/dbraw/zinc/66/82/19/562668219.db2.gz CNZCEJXBVKWORI-ASCAXBQDSA-N 0 3 565.709 4.372 1 0 KIAFHN COc1ccc(CN2CCC(N3CCN(c4ncc(C(=O)NCCOc5ccccc5)cc4Cl)CC3)CC2)cc1 ZINC000049670149 562668210 /nfs/dbraw/zinc/66/82/10/562668210.db2.gz JSGXRSHSVKALPE-UHFFFAOYSA-N 0 3 564.130 4.339 1 0 KIAFHN O=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CCN(Cc4ccc(F)cc4)CC3)CC2)c(Cl)c1 ZINC000049678703 562668621 /nfs/dbraw/zinc/66/86/21/562668621.db2.gz ULSKMUIVQZPBAT-UHFFFAOYSA-N 0 3 552.094 4.470 1 0 KIAFHN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(C23CC4CC(CC(C4)C2)C3)[nH]1)C(=O)NCc1ccccc1 ZINC000049694662 562669576 /nfs/dbraw/zinc/66/95/76/562669576.db2.gz CKWRJIRFPNVYKK-AQFXCFNKSA-N 0 3 564.734 4.273 1 0 KIAFHN N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1)C(=O)NCc1ccccc1 ZINC000049694662 562669575 /nfs/dbraw/zinc/66/95/75/562669575.db2.gz 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ZINC000049708433 562670922 /nfs/dbraw/zinc/67/09/22/562670922.db2.gz DGEYISIFVMFBQY-UCDLYESDSA-N 0 3 652.840 4.034 1 0 KIAFHN O=C(Nc1ccc(-c2nc3c(cnn3CC(F)(F)F)c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1)Nc1ccc(N2CCNCC2)cc1 ZINC000049708578 562671019 /nfs/dbraw/zinc/67/10/19/562671019.db2.gz NKBGMLOQTKRJCU-PSWAGMNNSA-N 0 3 607.641 4.477 1 0 KIAFHN CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(NCCN(C)C)cc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000049708580 562671010 /nfs/dbraw/zinc/67/10/10/562671010.db2.gz OVJNWPYSQKFXRB-PLQXJYEYSA-N 0 3 555.687 4.498 1 0 KIAFHN COc1ccc(-c2ccccc2OCCCNc2nc(NCCc3ccc(O)cc3)nc(N3CCNCC3)n2)cc1 ZINC000049711134 562671955 /nfs/dbraw/zinc/67/19/55/562671955.db2.gz LJEXOCRHBWAFOB-UHFFFAOYSA-N 0 3 555.683 4.198 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H](C)c2cccc(OC)c2)cc(N2CCCC2=O)c1 ZINC000049711176 562671952 /nfs/dbraw/zinc/67/19/52/562671952.db2.gz OUGHQRWILFEPOQ-TVNVSJRUSA-N 0 3 544.696 4.307 1 0 KIAFHN CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000049722788 562672552 /nfs/dbraw/zinc/67/25/52/562672552.db2.gz OJKFYYWZUWDHRB-SZAHLOSFSA-N 0 3 664.869 4.379 1 0 KIAFHN CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1COC(=O)c1ccccc1 ZINC000049722975 562672749 /nfs/dbraw/zinc/67/27/49/562672749.db2.gz BVLPRTCNDSXVNR-HVSNEVFASA-N 0 3 610.755 4.002 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@@H]2CCc3ccccc32)cc(N2CCCCS2(=O)=O)c1 ZINC000049723078 562672892 /nfs/dbraw/zinc/67/28/92/562672892.db2.gz PRQFEELAHDKHBV-MJSOWUPRSA-N 0 3 576.763 4.028 1 0 KIAFHN OC(CN1CCN(c2ccnc3cc(Cl)ccc32)CC1)CN1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000049723344 562673257 /nfs/dbraw/zinc/67/32/57/562673257.db2.gz PXJJZMXPCFDEQN-UHFFFAOYSA-N 0 3 551.522 4.395 1 0 KIAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4nc(Cl)c(Cl)c(N)c4Cl)CC3)c2c1 ZINC000049723363 562673333 /nfs/dbraw/zinc/67/33/33/562673333.db2.gz KXOLAQVSKJTDBI-KRWDZBQOSA-N 0 3 524.836 4.109 1 0 KIAFHN CCn1ncc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)cc2N1CCCC1=O ZINC000049745517 562673905 /nfs/dbraw/zinc/67/39/05/562673905.db2.gz ACXKNXUHBMQUGK-QCENPCRXSA-N 0 3 583.733 4.419 1 0 KIAFHN O=c1cc(N2CCC[NH2+]CC2)c(Cl)nn1Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000049745796 562674072 /nfs/dbraw/zinc/67/40/72/562674072.db2.gz PADTXJNDLMQIRB-UHFFFAOYSA-N 0 3 566.083 4.338 1 0 KIAFHN CN1CCCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC1 ZINC000049746112 562674234 /nfs/dbraw/zinc/67/42/34/562674234.db2.gz RXSLSHVXGFJJLU-UHFFFAOYSA-N 0 3 574.060 4.319 1 0 KIAFHN CN(C)CCN(C)c1cc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)cn1 ZINC000049746352 562674382 /nfs/dbraw/zinc/67/43/82/562674382.db2.gz HQFYKMUTSNMYSN-UHFFFAOYSA-N 0 3 562.049 4.174 1 0 KIAFHN CN(C)CCNc1cc(C(=O)Nc2ccc3c(c2)-c2c(c(C(N)=O)nn2-c2ccc(F)cc2)CC3)c(Cl)cn1 ZINC000049746437 562674418 /nfs/dbraw/zinc/67/44/18/562674418.db2.gz 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ZINC000049756437 562675092 /nfs/dbraw/zinc/67/50/92/562675092.db2.gz GABPXLTVELGQKR-UHFFFAOYSA-N 0 3 540.116 4.112 1 0 KIAFHN Cc1c(O)cccc1C(=O)N[C@@H](c1cccs1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049762064 562676308 /nfs/dbraw/zinc/67/63/08/562676308.db2.gz MDNTWQYQXCMZIS-MVSXCLQGSA-N 0 3 527.731 4.390 1 0 KIAFHN COc1ccc(C2=NN(Cc3ccc(CN4CCC5(CC4)OCCO5)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC ZINC000049762221 562676429 /nfs/dbraw/zinc/67/64/29/562676429.db2.gz OQGFHEKSYOZJBE-IZZNHLLZSA-N 0 3 531.653 4.372 1 0 KIAFHN Cc1ncnc(C)c1C(=O)N1C[C@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@H]2C1 ZINC000049762280 562676465 /nfs/dbraw/zinc/67/64/65/562676465.db2.gz OFCIMWAFWSWKFV-ARNLJNQMSA-N 0 3 543.634 4.309 1 0 KIAFHN CN1CCC=C(c2nsnc2OCCCOCC(=O)NCCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049762363 562676540 /nfs/dbraw/zinc/67/65/40/562676540.db2.gz MKCGPASFXDHNRR-UHFFFAOYSA-N 0 3 564.756 4.478 1 0 KIAFHN CN1CCC=C(c2nsnc2OCCCOCCC(=O)NCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049762837 562676738 /nfs/dbraw/zinc/67/67/38/562676738.db2.gz NQOJKHOPNJCSSZ-UHFFFAOYSA-N 0 3 564.756 4.478 1 0 KIAFHN CN1CCC=C(c2nsnc2OCCCOCC(=O)NCCCNc2c3ccccc3nc3c2CCCC3)C1 ZINC000049762840 562676699 /nfs/dbraw/zinc/67/66/99/562676699.db2.gz TWBSOPHBKGTCSD-UHFFFAOYSA-N 0 3 550.729 4.088 1 0 KIAFHN Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccs1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049771313 562678112 /nfs/dbraw/zinc/67/81/12/562678112.db2.gz OTWIIQSIDGVCGR-WKFYBSLTSA-N 0 3 541.758 4.260 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@H](O)CN2CCC(c3ccccc3F)CC2)C1 ZINC000049775147 562678927 /nfs/dbraw/zinc/67/89/27/562678927.db2.gz LKZUMSQGOOWFGY-RUZDIDTESA-N 0 3 739.858 4.217 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@@H](O)CN2CCC(c3ccccc3F)CC2)C1 ZINC000049775149 562678940 /nfs/dbraw/zinc/67/89/40/562678940.db2.gz LKZUMSQGOOWFGY-VWLOTQADSA-N 0 3 739.858 4.217 1 0 KIAFHN Cc1c(C(=O)NCCN2CCN(C)CC2)nc2cn[nH]c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c1-2 ZINC000049775723 562679206 /nfs/dbraw/zinc/67/92/06/562679206.db2.gz QXWHKOZXCRDBND-UHFFFAOYSA-N 0 3 552.054 4.359 1 0 KIAFHN CCn1ccc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)cc2N1CCCS1(=O)=O ZINC000049777683 562680366 /nfs/dbraw/zinc/68/03/66/562680366.db2.gz GXNKJOKZCCEPEJ-BHDXBOSCSA-N 0 3 618.800 4.437 1 0 KIAFHN Oc1ccc(CCNc2nc(NCCCOc3cccc(CN4CCCCC4)c3Cl)nc(N3CCNCC3)n2)cc1 ZINC000049777917 562680691 /nfs/dbraw/zinc/68/06/91/562680691.db2.gz MXXQZQBWEDQSIZ-UHFFFAOYSA-N 0 3 581.165 4.162 1 0 KIAFHN Cc1cc(N2CCC(N3C[C@@H]4C[C@H]3CO4)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000049780499 562681793 /nfs/dbraw/zinc/68/17/93/562681793.db2.gz LVOHHKIFPDWJJY-NLJOTIRTSA-N 0 3 575.113 4.467 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(SCCOc4ccccc4)c3)nn2CCCN2CCOCC2)C1 ZINC000049780674 562682061 /nfs/dbraw/zinc/68/20/61/562682061.db2.gz WNXKIMLYMKLJEQ-UHFFFAOYSA-N 0 3 591.199 4.415 1 0 KIAFHN CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc4c(ccn4CC(F)(F)F)c(N4CCOCC4)n3)cc2)cc1 ZINC000049780749 562682168 /nfs/dbraw/zinc/68/21/68/562682168.db2.gz ABOUWUWXUJHANF-UHFFFAOYSA-N 0 3 610.641 4.433 1 0 KIAFHN C[C@@H](NC(=O)c1cc(COC[C@](N)(CF)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049781357 562683018 /nfs/dbraw/zinc/68/30/18/562683018.db2.gz JHRQPLYTEMBTKO-PIIWDFAUSA-N 0 3 545.652 4.139 1 0 KIAFHN C[C@@H](NC(=O)c1cc(COC[C@@](N)(CF)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049781358 562683013 /nfs/dbraw/zinc/68/30/13/562683013.db2.gz JHRQPLYTEMBTKO-NGOKVRLYSA-N 0 3 545.652 4.139 1 0 KIAFHN COC(=O)N1CCC(n2ncc3c2nc(-c2ccc(NC(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc2)nc3N2CCOCC2)CC1 ZINC000049783992 562683361 /nfs/dbraw/zinc/68/33/61/562683361.db2.gz YYIGVVUQYWUSKX-UHFFFAOYSA-N 0 3 682.830 4.167 1 0 KIAFHN CCNC(=O)Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049784059 562683380 /nfs/dbraw/zinc/68/33/80/562683380.db2.gz UQBDVXGNVUOMQH-UHFFFAOYSA-N 0 3 540.672 4.308 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)nn2CCCN2CCOCC2)C1 ZINC000049784279 562683555 /nfs/dbraw/zinc/68/35/55/562683555.db2.gz MXRVIRJWSLPMHG-UHFFFAOYSA-N 0 3 615.788 4.187 1 0 KIAFHN O=C(Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1)NC1CC1 ZINC000049784363 562683570 /nfs/dbraw/zinc/68/35/70/562683570.db2.gz DJVVXKDLVNGSNI-UHFFFAOYSA-N 0 3 552.683 4.451 1 0 KIAFHN O=C(NCCF)Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049784554 562683646 /nfs/dbraw/zinc/68/36/46/562683646.db2.gz GVOIDFSKGKJIQS-UHFFFAOYSA-N 0 3 558.662 4.258 1 0 KIAFHN CN(C)C(=O)Nc1ccc(-c2nc3c(cnn3C3CCN(Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049784894 562683824 /nfs/dbraw/zinc/68/38/24/562683824.db2.gz SYONYYWDEUIWEP-UHFFFAOYSA-N 0 3 540.672 4.261 1 0 KIAFHN Cc1ncnc(C)c1C(=O)N1C[C@H]2CN(CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cc(F)cc(F)c3)C[C@H]2C1 ZINC000049784901 562683835 /nfs/dbraw/zinc/68/38/35/562683835.db2.gz ZUSMCXAJFLVLLT-IMSXRSKXSA-N 0 3 547.597 4.058 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@H](O)CN2CCC(c3ccccn3)CC2)C1 ZINC000049793433 562684796 /nfs/dbraw/zinc/68/47/96/562684796.db2.gz UPUOSGCRLVBNGG-RUZDIDTESA-N 0 3 706.857 4.237 1 0 KIAFHN CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@@H](O)CN2CCC(c3ccccn3)CC2)C1 ZINC000049793434 562684807 /nfs/dbraw/zinc/68/48/07/562684807.db2.gz UPUOSGCRLVBNGG-VWLOTQADSA-N 0 3 706.857 4.237 1 0 KIAFHN CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(c2cccc(C(C)(C)C)c2)CCc2nc(C)ncc2C1 ZINC000049802504 562685741 /nfs/dbraw/zinc/68/57/41/562685741.db2.gz XDGLKEPBKNWNMG-ILJQZKEFSA-N 0 3 536.667 4.443 1 0 KIAFHN C=COCCCN1C(=O)O[C@@]2(C)[C@H]1[C@@H](C)C(=O)[C@H](C)C[C@](C)(OC)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)/C=C(\C)C(=O)O[C@@H]2CC ZINC000049804031 562686353 /nfs/dbraw/zinc/68/63/53/562686353.db2.gz CEKOVFZLYVKSGR-HABBCIAZSA-N 0 3 680.880 4.482 1 0 KIAFHN COc1cc2c(cc1OCCCN1CCN(CCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000049833161 562687552 /nfs/dbraw/zinc/68/75/52/562687552.db2.gz IFSWCDUZMRLVNK-QYOOZWMWSA-N 0 3 694.780 4.096 1 0 KIAFHN [NH2+]=C([N-]C(=O)CCCn1cc(-c2ccccc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000049841217 562688099 /nfs/dbraw/zinc/68/80/99/562688099.db2.gz OUVLHHGCRILGBP-MGBGTMOVSA-N 0 3 686.817 4.485 1 0 KIAFHN CCCN1CCN(c2nc(N3CCN(CCC)CC3)nc(N3[C@H](c4ccc(OC)cc4)c4[nH]c5ccccc5c4C[C@H]3C(=O)OC)n2)CC1 ZINC000049853472 562688928 /nfs/dbraw/zinc/68/89/28/562688928.db2.gz CZZNQZBDJBWFTA-CQTOTRCISA-N 0 3 667.859 4.119 1 0 KIAFHN Cc1cc(N2CCC(N3CCOCC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049872046 562689754 /nfs/dbraw/zinc/68/97/54/562689754.db2.gz ANBSWCCVJMJABF-AREMUKBSSA-N 0 3 563.102 4.327 1 0 KIAFHN CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3ccc4ccccc4c3)N2C1=O ZINC000049877995 562690379 /nfs/dbraw/zinc/69/03/79/562690379.db2.gz MKYCFUQCPNJXDQ-ZIUUJSQJSA-N 0 3 526.681 4.201 1 0 KIAFHN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049888768 562691452 /nfs/dbraw/zinc/69/14/52/562691452.db2.gz BWHZOEZGICUPSW-MPEKPHCYSA-N 0 3 743.902 4.195 1 0 KIAFHN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049888769 562691464 /nfs/dbraw/zinc/69/14/64/562691464.db2.gz BWHZOEZGICUPSW-PVRVKMKPSA-N 0 3 743.902 4.195 1 0 KIAFHN CN[C@@H](Cn1c(=O)c(-c2cccc(OCC[NH2+]CC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049889334 562692013 /nfs/dbraw/zinc/69/20/13/562692013.db2.gz QTQHJYKPJJNULY-VWLOTQADSA-N 0 3 646.613 4.344 1 0 KIAFHN CC[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c3nc(N)nc4N3CCNCC3)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000049889393 562692062 /nfs/dbraw/zinc/69/20/62/562692062.db2.gz YEILLIZHYINUDQ-IKOGOXBZSA-N 0 3 753.027 4.063 1 0 KIAFHN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000049898210 562692322 /nfs/dbraw/zinc/69/23/22/562692322.db2.gz GKNDJCUXTFFUMH-ZTALTGERSA-N 0 3 725.912 4.056 1 0 KIAFHN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000049898211 562692319 /nfs/dbraw/zinc/69/23/19/562692319.db2.gz GKNDJCUXTFFUMH-JTZWTTIBSA-N 0 3 725.912 4.056 1 0 KIAFHN O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049899460 562693149 /nfs/dbraw/zinc/69/31/49/562693149.db2.gz SGJFKFRGJLVMQE-MHZLTWQESA-N 0 3 635.730 4.472 1 0 KIAFHN COc1ccc([C@@H](C(=O)NC2CCN(C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000049908027 562693446 /nfs/dbraw/zinc/69/34/46/562693446.db2.gz KKPPZWWZYZHQFQ-ZPGRZCPFSA-N 0 3 623.798 4.425 1 0 KIAFHN COc1ccc([C@H](C(=O)NC2CCN(C[C@H](O)c3ccnc4ccc(OC)cc43)CC2)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000049908028 562693437 /nfs/dbraw/zinc/69/34/37/562693437.db2.gz KKPPZWWZYZHQFQ-MPQUPPDSSA-N 0 3 623.798 4.425 1 0 KIAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4ccsc4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049917656 562693711 /nfs/dbraw/zinc/69/37/11/562693711.db2.gz IVFQOPBAGUEYGL-CQTOTRCISA-N 0 3 615.800 4.491 1 0 KIAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4ccsc4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1 ZINC000049917658 562693714 /nfs/dbraw/zinc/69/37/14/562693714.db2.gz IVFQOPBAGUEYGL-WEZIJMHWSA-N 0 3 615.800 4.491 1 0 KIAFHN Oc1ccc(CCNc2nc(NCCCOc3ccccc3-c3ccc(F)cc3)nc(N3CCNCC3)n2)cc1 ZINC000049917665 562693750 /nfs/dbraw/zinc/69/37/50/562693750.db2.gz DVQFGJUREMLUKC-UHFFFAOYSA-N 0 3 543.647 4.329 1 0 KIAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@@H](c4ccsc4)N4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049918018 562694344 /nfs/dbraw/zinc/69/43/44/562694344.db2.gz PKSBJDPVLRNNHF-AJQTZOPKSA-N 0 3 585.774 4.482 1 0 KIAFHN COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)[C@H](c4ccsc4)N4CCN(c5ccccc5)CC4)CC3)c2c1 ZINC000049918019 562694311 /nfs/dbraw/zinc/69/43/11/562694311.db2.gz PKSBJDPVLRNNHF-ACHIHNKUSA-N 0 3 585.774 4.482 1 0 KIAFHN CCc1c[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)cc2N1CCCCS1(=O)=O ZINC000049918073 562694415 /nfs/dbraw/zinc/69/44/15/562694415.db2.gz SACRYONNBDDJPB-IGYGKHONSA-N 0 3 604.773 4.161 1 0 KIAFHN COc1cc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C3CCCC3)cc(N3CCCS3(=O)=O)c2)cc(OC)c1 ZINC000049918086 562694430 /nfs/dbraw/zinc/69/44/30/562694430.db2.gz FUYJQBHHHAEVSP-JHOUSYSJSA-N 0 3 621.800 4.393 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(-c3cncnc3)c2)cc(N2CCCC2=O)c1 ZINC000049918118 562694489 /nfs/dbraw/zinc/69/44/89/562694489.db2.gz MUMHZHGRUSOYTJ-AJQTZOPKSA-N 0 3 578.717 4.194 1 0 KIAFHN CN(Cc1ccc(-n2cnn(CC(=O)c3ccc(Cl)cc3Cl)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049938089 562695049 /nfs/dbraw/zinc/69/50/49/562695049.db2.gz NXLJAXRQGLHHAW-GDLZYMKVSA-N 0 3 628.467 4.113 1 0 KIAFHN CN(Cc1ccc(-n2cnn(CC(=O)c3ccc(Cl)cc3Cl)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049938091 562695059 /nfs/dbraw/zinc/69/50/59/562695059.db2.gz NXLJAXRQGLHHAW-LJAQVGFWSA-N 0 3 628.467 4.113 1 0 KIAFHN CCN1C(N(C)C)=[NH+]c2ccccc2[C@H]1CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942275 562695412 /nfs/dbraw/zinc/69/54/12/562695412.db2.gz UBFZYFFOQNFRPD-AREMUKBSSA-N 0 3 519.671 4.428 1 0 in-vivo KIAFHN CCN1C(N(C)C)=[NH+]c2ccccc2[C@@H]1CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942276 562695439 /nfs/dbraw/zinc/69/54/39/562695439.db2.gz UBFZYFFOQNFRPD-SANMLTNESA-N 0 3 519.671 4.428 1 0 in-vivo KIAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000053186795 562696424 /nfs/dbraw/zinc/69/64/24/562696424.db2.gz HXZDICYKFAOZLE-UHFFFAOYSA-N 0 3 518.597 4.222 1 0 in-vitro KIAFHN CNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(N3CCN(C(C)C)CC3)cc2OC)nc2[nH]ccc21 ZINC000053190828 562696410 /nfs/dbraw/zinc/69/64/10/562696410.db2.gz OTUVWYSSKZWHPS-UHFFFAOYSA-N 0 3 532.624 4.483 1 0 KIAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccccc2C(N)=O)n1 ZINC000053194049 562696439 /nfs/dbraw/zinc/69/64/39/562696439.db2.gz UXMMQYWYTBBUJM-UHFFFAOYSA-N 0 3 500.607 4.083 1 0 KIAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccc(F)cc2C(N)=O)n1 ZINC000053276066 562697057 /nfs/dbraw/zinc/69/70/57/562697057.db2.gz IBROMPXLFSIBRF-UHFFFAOYSA-N 0 3 518.597 4.222 1 0 KIAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cc(F)ccc2C(N)=O)n1 ZINC000053276068 562697072 /nfs/dbraw/zinc/69/70/72/562697072.db2.gz NSJFKRFDKHDDIJ-UHFFFAOYSA-N 0 3 518.597 4.222 1 0 KIAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cc(F)cc(F)c2C(N)=O)n1 ZINC000053277627 562697141 /nfs/dbraw/zinc/69/71/41/562697141.db2.gz FQMKFSBHRHOBPI-UHFFFAOYSA-N 0 3 536.587 4.361 1 0 KIAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccc(F)c(F)c2C(N)=O)n1 ZINC000053277673 562697134 /nfs/dbraw/zinc/69/71/34/562697134.db2.gz QYJJQYYMVLXSDU-UHFFFAOYSA-N 0 3 536.587 4.361 1 0 KIAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2cc(F)c(F)cc2C(N)=O)n1 ZINC000053287719 562697165 /nfs/dbraw/zinc/69/71/65/562697165.db2.gz QESXNQJYKSVPFY-UHFFFAOYSA-N 0 3 536.587 4.361 1 0 KIAFHN CNC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(N3CCN(C(C)C)CC3)cc2OC)nc2[nH]ccc21 ZINC000053287723 562697179 /nfs/dbraw/zinc/69/71/79/562697179.db2.gz ULDVOXNXKFGVKQ-UHFFFAOYSA-N 0 3 532.624 4.483 1 0 KIAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1N(C)c1nc2[nH]ccc2c(Nc2cccc(F)c2C(N)=O)n1 ZINC000053287751 562697147 /nfs/dbraw/zinc/69/71/47/562697147.db2.gz XJGFQDYSGOPSNP-UHFFFAOYSA-N 0 3 532.624 4.246 1 0 KIAFHN COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2c(ccn2C)c(Nc2cccc(F)c2C(N)=O)n1 ZINC000053287786 562697168 /nfs/dbraw/zinc/69/71/68/562697168.db2.gz OUWROBCRBMNFHE-UHFFFAOYSA-N 0 3 532.624 4.233 1 0 KIAFHN CCCN1CCN(c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)CC1 ZINC000053287974 562697153 /nfs/dbraw/zinc/69/71/53/562697153.db2.gz WDQRIUWJCINPFK-UHFFFAOYSA-N 0 3 518.597 4.224 1 0 KIAFHN O=C(NCc1cc(-c2ccc(=O)n(CCCN3CCC(N4CCCC4=O)CC3)n2)ccc1Cl)c1ccc(F)cc1 ZINC000053293604 562697173 /nfs/dbraw/zinc/69/71/73/562697173.db2.gz PQDLIGCMGDLQDY-UHFFFAOYSA-N 0 3 566.077 4.110 1 0 KIAFHN COCCNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(N3CCN(C(C)C)CC3)cc2OC)nc2[nH]ccc21 ZINC000055760859 562697749 /nfs/dbraw/zinc/69/77/49/562697749.db2.gz ASNDXJNBHVPPGQ-UHFFFAOYSA-N 0 3 576.677 4.499 1 0 KIAFHN CC(C)[C@@H]1NC(=O)/C=C\CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058507453 562698391 /nfs/dbraw/zinc/69/83/91/562698391.db2.gz QTAYUWFZSBEHPK-RJIXJEKSSA-N 0 3 624.867 4.130 1 0 KIAFHN O=C1CC[C@](CCN2CC(N3CC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000058519458 562698514 /nfs/dbraw/zinc/69/85/14/562698514.db2.gz UXOFSGJDRPUGPP-YIXXDRMTSA-N 0 3 502.486 4.195 1 0 KIAFHN O=C(N[C@@H](CCN1C[C@@H]2CN(C(=O)c3ccc(C(F)(F)F)nn3)C[C@@H]2C1)c1cccc(F)c1)C1CCCC1 ZINC000058519596 562698489 /nfs/dbraw/zinc/69/84/89/562698489.db2.gz VKXLIDVVAXCWKA-VWPQPMDRSA-N 0 3 533.570 4.076 1 0 KIAFHN CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(N3CCCCC3=O)c2)CCCCC1 ZINC000058538202 562698773 /nfs/dbraw/zinc/69/87/73/562698773.db2.gz KNSUFDSYTXUXKM-RRPNLBNLSA-N 0 3 513.629 4.339 1 0 KIAFHN COc1ccc(-c2cc(C(=O)N3CCN(C4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)CC3)cc(-c3ccc4n[nH]cc4c3)n2)cc1F ZINC000058548186 562699075 /nfs/dbraw/zinc/69/90/75/562699075.db2.gz ZKNDLYXUQZCLFQ-UHFFFAOYSA-N 0 3 667.786 4.447 1 0 KIAFHN COc1ccc(-c2cc(C(=O)N3CCN(C4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)CC3)cc(-c3ccc4n[nH]cc4c3)n2)cc1OC ZINC000058548358 562699106 /nfs/dbraw/zinc/69/91/06/562699106.db2.gz XCJSLNFXKQRWRS-UHFFFAOYSA-N 0 3 679.822 4.316 1 0 KIAFHN O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(n2c3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000058581070 562699777 /nfs/dbraw/zinc/69/97/77/562699777.db2.gz IVUVZXDTPUJHFC-UHFFFAOYSA-N 0 3 509.654 4.322 1 0 KIAFHN O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(n2c3ccccc3n(CCOc3ccccc3)c2=O)CC1 ZINC000058581080 562699783 /nfs/dbraw/zinc/69/97/83/562699783.db2.gz QEXOFWNDNHZFRD-UHFFFAOYSA-N 0 3 539.680 4.353 1 0 KIAFHN O=C(Nc1ccc(Cl)cc1)[C@H]1CN(Cc2ccncc2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058581941 562699865 /nfs/dbraw/zinc/69/98/65/562699865.db2.gz OOXBKWWZPJXELZ-ZEQRLZLVSA-N 0 3 546.002 4.350 1 0 KIAFHN COc1ccc(Cn2c3ccccc3n(C3CCN(C(=O)C4CCN(Cc5ccncc5)CC4)CC3)c2=O)cc1 ZINC000058582858 562699972 /nfs/dbraw/zinc/69/99/72/562699972.db2.gz RJIDHAYRLDHKFI-UHFFFAOYSA-N 0 3 539.680 4.331 1 0 KIAFHN COC(=O)CCCCCCC(=O)[N-]C(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000058582923 562700028 /nfs/dbraw/zinc/70/00/28/562700028.db2.gz BYHPCDDUBAZYAA-SSEXGKCCSA-N 0 3 643.785 4.260 1 0 KIAFHN CC(C)CC1C(=O)N(COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)S(=O)(=O)N1C ZINC000058591451 562700436 /nfs/dbraw/zinc/70/04/36/562700436.db2.gz GEWXMYBCLPEJAY-IBGZPJMESA-N 0 3 514.431 4.214 1 0 KIAFHN CNCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000058591613 562700455 /nfs/dbraw/zinc/70/04/55/562700455.db2.gz ZXQGTJMXGDEAOA-CTAQNPQRSA-N 0 3 665.736 4.423 1 0 KIAFHN CC(C)NC(=O)Cn1c(=O)c2cc(OCCCN3CCCCC3)nn2cc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000058591708 562700496 /nfs/dbraw/zinc/70/04/96/562700496.db2.gz HSGKWJPZSGUDTI-UHFFFAOYSA-N 0 3 537.558 4.100 1 0 KIAFHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000058596430 562700672 /nfs/dbraw/zinc/70/06/72/562700672.db2.gz LNHYSNXQZLAEBY-QHGISUJSSA-N 0 3 577.766 4.139 1 0 KIAFHN CCN1CCN(c2cc(N3CCN(CC)CC3)nc(N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)n2)CC1 ZINC000058598564 562700761 /nfs/dbraw/zinc/70/07/61/562700761.db2.gz ZTPCBWCUAUBETJ-MGBGTMOVSA-N 0 3 594.764 4.123 1 0 KIAFHN C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(N2CCN[C@@H](C)C2)cc1Cl ZINC000058598813 562700772 /nfs/dbraw/zinc/70/07/72/562700772.db2.gz DRCFLTJGTPNADQ-JKSUJKDBSA-N 0 3 535.007 4.195 1 0 KIAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCN2CCOCC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000058638944 562701224 /nfs/dbraw/zinc/70/12/24/562701224.db2.gz YTBYOWZWBDYLQF-BYHVZLFPSA-N 0 3 577.528 4.331 1 0 in-vitro KIAFHN CN(C)CCCc1c(C=C2c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3NC2=O)[nH]c2c1C(=O)CCC2 ZINC000058655522 562701371 /nfs/dbraw/zinc/70/13/71/562701371.db2.gz WHFRCTYFOGGZAU-NKFKGCMQSA-N 0 3 544.677 4.272 1 0 KIAFHN COc1cccc(Cn2c3ccccc3n(C3CCN(C(=O)C4CCN(Cc5ccncc5)CC4)CC3)c2=O)c1 ZINC000058660964 562701407 /nfs/dbraw/zinc/70/14/07/562701407.db2.gz LJHSDTNRTCEUNM-UHFFFAOYSA-N 0 3 539.680 4.331 1 0 KIAFHN CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN[C@H](C)c2ccccc2)cc(N2CCCC2=O)c1 ZINC000059686678 562702142 /nfs/dbraw/zinc/70/21/42/562702142.db2.gz DUSOLAHJRJHBFU-MXUAVAHLSA-N 0 3 514.670 4.298 1 0 KIAFHN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(C2CCCCC2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328406 562702763 /nfs/dbraw/zinc/70/27/63/562702763.db2.gz ODGZOAFYYQRYBZ-SFHVURJKSA-N 0 3 585.668 4.486 1 0 KIAFHN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(C2CCCCC2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328407 562702811 /nfs/dbraw/zinc/70/28/11/562702811.db2.gz ODGZOAFYYQRYBZ-GOSISDBHSA-N 0 3 585.668 4.486 1 0 KIAFHN CC(=O)N1CCN(C2CCC(n3nc(-c4ccc(NC(=O)c5cc6ccccc6n5C)cc4)c4c3ncnc4N)CC2)CC1 ZINC000063298062 562704453 /nfs/dbraw/zinc/70/44/53/562704453.db2.gz GXJSLIOOPZRPEV-UHFFFAOYSA-N 0 3 591.720 4.467 1 0 KIAFHN Cc1ccc2c(cccc2N2CCN(CCc3cccc4c3OCc3c(C(=O)NC(C)C)ncn3-4)CC2)n1 ZINC000064479859 562705876 /nfs/dbraw/zinc/70/58/76/562705876.db2.gz KPSUZBNHNICQLT-UHFFFAOYSA-N 0 3 510.642 4.124 1 0 KIAFHN Cc1cccc(Cl)c1S(=O)(=O)C(=O)N1C[C@H]2CN(CC[C@@H](c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC000064512683 562706275 /nfs/dbraw/zinc/70/62/75/562706275.db2.gz DWWHWVCKVLLGRC-NXCFDTQHSA-N 0 3 608.226 4.251 1 0 KIAFHN Cc1cccc(Cl)c1S(=O)(=O)C(=O)N1C[C@H]2CN(CC[C@H](c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1 ZINC000064512686 562706258 /nfs/dbraw/zinc/70/62/58/562706258.db2.gz DWWHWVCKVLLGRC-UODIDJSMSA-N 0 3 608.226 4.251 1 0 KIAFHN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000064513976 562706460 /nfs/dbraw/zinc/70/64/60/562706460.db2.gz XNIBNXXHIJXLRT-PKTZIBPZSA-N 0 3 592.606 4.321 1 0 KIAFHN Cc1ccc2c(cccc2N2CCN(CCc3cccc4c3OCc3c(C(=O)NC5CCC5)ncn3-4)CC2)n1 ZINC000064516308 562706540 /nfs/dbraw/zinc/70/65/40/562706540.db2.gz HKLFFMXMBRRWHA-UHFFFAOYSA-N 0 3 522.653 4.268 1 0 KIAFHN COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@H](N)Cc4ccc(F)cc4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064526483 562706623 /nfs/dbraw/zinc/70/66/23/562706623.db2.gz DMZMHLWIPFISAX-JOCHJYFZSA-N 0 3 602.648 4.295 1 0 KIAFHN Cc1cc(C2(c3cc(C)c(OC[C@@H](O)CN4CCN(C)CC4)c(C)c3)CCCCC2)cc(C)c1OC[C@H](O)CN1CCN(C)CC1 ZINC000064527619 562707136 /nfs/dbraw/zinc/70/71/36/562707136.db2.gz HBLGGTCDXZEDJM-HJWAMQHWSA-N 0 3 636.922 4.145 1 0 KIAFHN Cc1ccc2c(cccc2N2CCN(CCc3cccc4c3OCc3c(C(=O)N5CCCC5)ncn3-4)CC2)n1 ZINC000064527783 562707191 /nfs/dbraw/zinc/70/71/91/562707191.db2.gz DWJGZXZILMOEGQ-UHFFFAOYSA-N 0 3 522.653 4.222 1 0 KIAFHN Cc1ccc2c(cccc2N2CCN(CCc3cccc4c3OCc3c(C(=O)NCC5CC5)ncn3-4)CC2)n1 ZINC000064527861 562707168 /nfs/dbraw/zinc/70/71/68/562707168.db2.gz RKTWFMDUKBINRA-UHFFFAOYSA-N 0 3 522.653 4.126 1 0 KIAFHN CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)N[C@H](CN5CCCC5)c5ccccc5)sc43)cc2)CC1 ZINC000064528351 562707310 /nfs/dbraw/zinc/70/73/10/562707310.db2.gz CVFGOMDPOQIAPD-RUZDIDTESA-N 0 3 557.724 4.195 1 0 KIAFHN CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000064528407 562707339 /nfs/dbraw/zinc/70/73/39/562707339.db2.gz XFNGGGRKROIDIL-RPWUZVMVSA-N 0 3 606.633 4.364 1 0 KIAFHN CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(NS(C)(=O)=O)cc(C(C)(C)C)c2)CCCCC1 ZINC000064540797 562707773 /nfs/dbraw/zinc/70/77/73/562707773.db2.gz FNQGRLXOQONVJG-RRPNLBNLSA-N 0 3 565.727 4.491 1 0 KIAFHN [NH3+]CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1 ZINC000064549358 562708054 /nfs/dbraw/zinc/70/80/54/562708054.db2.gz AAGMODDBTQZDKK-NSOVKSMOSA-N 0 3 551.647 4.383 1 0 KIAFHN CCN1CCN(c2cc(N3CCN(CC)CC3)nc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)OCO4)n2)CC1 ZINC000064633621 562708972 /nfs/dbraw/zinc/70/89/72/562708972.db2.gz ZTPCBWCUAUBETJ-XIFFEERXSA-N 0 3 594.764 4.123 1 0 KIAFHN Cn1cc(-c2ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)ccc1=O ZINC000064746281 562709100 /nfs/dbraw/zinc/70/91/00/562709100.db2.gz VHXSUBQZTPVJFL-DQEYMECFSA-N 0 3 595.531 4.364 1 0 KIAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@@H](NCC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066065934 562709221 /nfs/dbraw/zinc/70/92/21/562709221.db2.gz OGJKCDKDZJMBOT-XMCDHTSPSA-N 0 3 534.697 4.133 1 0 KIAFHN COc1cc2c(cc1OC)CN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CCC2 ZINC000066066177 562709308 /nfs/dbraw/zinc/70/93/08/562709308.db2.gz NJCIKEWNYXOLNQ-UHFFFAOYSA-N 0 3 521.452 4.442 1 0 KIAFHN CCCN1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074420 562709877 /nfs/dbraw/zinc/70/98/77/562709877.db2.gz KGMLFGARCJUMAB-LJAQVGFWSA-N 0 3 564.738 4.392 1 0 KIAFHN CCCN1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074421 562709853 /nfs/dbraw/zinc/70/98/53/562709853.db2.gz KGMLFGARCJUMAB-GDLZYMKVSA-N 0 3 564.738 4.392 1 0 KIAFHN CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@H](NCC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066074563 562709841 /nfs/dbraw/zinc/70/98/41/562709841.db2.gz OGJKCDKDZJMBOT-MINMQMFNSA-N 0 3 534.697 4.133 1 0 KIAFHN CN(C)C(=O)CCN1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066076927 562710213 /nfs/dbraw/zinc/71/02/13/562710213.db2.gz UBLMHOGWPZTKCS-RBISFHTESA-N 0 3 549.518 4.145 1 0 KIAFHN COc1cc2c(cc1OC)CCN(CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2 ZINC000066078417 562710417 /nfs/dbraw/zinc/71/04/17/562710417.db2.gz WDUFIDJKHNERGY-UHFFFAOYSA-N 0 3 521.452 4.094 1 0 KIAFHN CN1CCC[C@@H]1c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000066078617 562710443 /nfs/dbraw/zinc/71/04/43/562710443.db2.gz BWMOSLZAUDDHEQ-XZOQPEGZSA-N 0 3 502.011 4.483 1 0 KIAFHN CN1CCC[C@H]1c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000066078618 562710462 /nfs/dbraw/zinc/71/04/62/562710462.db2.gz BWMOSLZAUDDHEQ-GOTSBHOMSA-N 0 3 502.011 4.483 1 0 KIAFHN CN(C)CCNCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 ZINC000066078913 562710514 /nfs/dbraw/zinc/71/05/14/562710514.db2.gz FIIFHKDXMTXXNS-UHFFFAOYSA-N 0 3 548.591 4.010 1 0 KIAFHN CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000066080006 562710654 /nfs/dbraw/zinc/71/06/54/562710654.db2.gz ZMNUTVBTLNVDLP-MUAVYFROSA-N 0 3 561.529 4.289 1 0 KIAFHN CNC(=O)c1cnc(N2CCN(C3CCN([C@@H]4CCc5cc(Cl)ccc54)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000066097627 562710799 /nfs/dbraw/zinc/71/07/99/562710799.db2.gz OGWJKZBNEAPGLN-BXKMTCNYSA-N 0 3 502.490 4.410 1 0 KIAFHN O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CC[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1 ZINC000066097989 562710857 /nfs/dbraw/zinc/71/08/57/562710857.db2.gz SLSJSGIMTCBNJK-ZOIWUEQXSA-N 0 3 530.669 4.437 1 0 KIAFHN O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)c1 ZINC000066097992 562710867 /nfs/dbraw/zinc/71/08/67/562710867.db2.gz SLSJSGIMTCBNJK-MHVBIBAZSA-N 0 3 530.669 4.437 1 0 KIAFHN CN(C)CCSc1nc([C@H]2COc3ccc(C(=O)NC4CC4)cc3C2)nc2ccc(-c3cn[nH]c3)cc21 ZINC000066100637 562711260 /nfs/dbraw/zinc/71/12/60/562711260.db2.gz YODMOGHHXNYZIW-HXUWFJFHSA-N 0 3 514.655 4.285 1 0 KIAFHN CN(C)CCSc1nc([C@@H]2COc3ccc(C(=O)NC4CC4)cc3C2)nc2ccc(-c3cn[nH]c3)cc21 ZINC000066100639 562711267 /nfs/dbraw/zinc/71/12/67/562711267.db2.gz YODMOGHHXNYZIW-FQEVSTJZSA-N 0 3 514.655 4.285 1 0 KIAFHN CO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000066101366 562711338 /nfs/dbraw/zinc/71/13/38/562711338.db2.gz NLPKHHZDESNXNS-SQOVJYTMSA-N 0 3 545.650 4.425 1 0 KIAFHN Cc1ccc(S(=O)(=O)N2CCc3ccc(C(=O)NCCN(Cc4ccccc4)C(C)C)cc3C2)cc1 ZINC000066123159 562712464 /nfs/dbraw/zinc/71/24/64/562712464.db2.gz RVHXVZKUNBAYDT-UHFFFAOYSA-N 0 3 505.684 4.382 1 0 KIAFHN CO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000066128572 562712768 /nfs/dbraw/zinc/71/27/68/562712768.db2.gz NLPKHHZDESNXNS-GJECAEJISA-N 0 3 545.650 4.425 1 0 KIAFHN COc1ccc(CN(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)C(C)C)cc1 ZINC000066129109 562712883 /nfs/dbraw/zinc/71/28/83/562712883.db2.gz SYHSIWZZBAKLRD-UHFFFAOYSA-N 0 3 509.672 4.123 1 0 KIAFHN CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1 ZINC000066129388 562712951 /nfs/dbraw/zinc/71/29/51/562712951.db2.gz ILQYMJFEPKVMHE-UHFFFAOYSA-N 0 3 530.488 4.180 1 0 KIAFHN CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc(OC)cc3)C(C)C)cc2)cc1 ZINC000066136251 562713058 /nfs/dbraw/zinc/71/30/58/562713058.db2.gz CNLWMMOBWSGDKY-UHFFFAOYSA-N 0 3 523.699 4.377 1 0 KIAFHN COc1ccc(CN(CCNC(=O)c2cccc(CNS(=O)(=O)c3ccc(C)cc3)c2)C(C)C)cc1 ZINC000066139317 562713424 /nfs/dbraw/zinc/71/34/24/562713424.db2.gz NZANAUYJLTXYOD-UHFFFAOYSA-N 0 3 509.672 4.123 1 0 KIAFHN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccccc4)C(C)C)ccc3C2)cc1 ZINC000066167112 562714249 /nfs/dbraw/zinc/71/42/49/562714249.db2.gz UOSIKGNCJCOVJD-UHFFFAOYSA-N 0 3 505.684 4.382 1 0 KIAFHN CN(C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000066251971 562714624 /nfs/dbraw/zinc/71/46/24/562714624.db2.gz OCVDYKIDLGUZLY-XMMPIXPASA-N 0 3 510.416 4.347 1 0 KIAFHN CN(C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000066251972 562714633 /nfs/dbraw/zinc/71/46/33/562714633.db2.gz OCVDYKIDLGUZLY-DEOSSOPVSA-N 0 3 510.416 4.347 1 0 KIAFHN CN(C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066251973 562714642 /nfs/dbraw/zinc/71/46/42/562714642.db2.gz ZSALPMNGTICXBQ-XMMPIXPASA-N 0 3 510.416 4.347 1 0 KIAFHN CN(C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066251974 562714620 /nfs/dbraw/zinc/71/46/20/562714620.db2.gz ZSALPMNGTICXBQ-DEOSSOPVSA-N 0 3 510.416 4.347 1 0 KIAFHN O=C(CN1CCNCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066259127 562715214 /nfs/dbraw/zinc/71/52/14/562715214.db2.gz HAYFKSJAWVCUBQ-UHFFFAOYSA-N 0 3 553.688 4.243 1 0 KIAFHN COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3ccc(CN4CCCC4)cc3OC)(N3CCC[C@H]3C(=O)N(C)C)C2=O)c(OC)c1 ZINC000068057324 562715712 /nfs/dbraw/zinc/71/57/12/562715712.db2.gz RIEZNJOLFDSQNS-YTWZBVJHSA-N 0 3 697.254 4.493 1 0 KIAFHN COC(=O)N1CCN(c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)CC1 ZINC000068248879 562716246 /nfs/dbraw/zinc/71/62/46/562716246.db2.gz LFLLVUCSJDNBFY-UHFFFAOYSA-N 0 3 594.663 4.141 1 0 KIAFHN CCN(CCNC(=O)c1ccc2cc(I)ccc2c1)CCOc1cccnc1F ZINC000071280900 562716589 /nfs/dbraw/zinc/71/65/89/562716589.db2.gz AZRPSCXBSGLHOK-UHFFFAOYSA-N 0 3 507.347 4.109 1 0 KIAFHN C[C@@H](CN(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc(NCCc4ccc(Cl)cc4)nc(N4CCCC4)c3c2)CC1 ZINC000071315988 562717779 /nfs/dbraw/zinc/71/77/79/562717779.db2.gz KZWFJJHHDKUIBN-QFIPXVFZSA-N 0 3 628.243 4.005 1 0 KIAFHN C[C@H](CN(C)C)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc(NCCc4ccc(Cl)cc4)nc(N4CCCC4)c3c2)CC1 ZINC000071315989 562717817 /nfs/dbraw/zinc/71/78/17/562717817.db2.gz KZWFJJHHDKUIBN-JOCHJYFZSA-N 0 3 628.243 4.005 1 0 KIAFHN CN1CCN(CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2ccccc2)CC1 ZINC000071316140 562717845 /nfs/dbraw/zinc/71/78/45/562717845.db2.gz PKYXBBFBKAWMEC-LJAQVGFWSA-N 0 3 533.116 4.347 1 0 KIAFHN COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c(C)c1C ZINC000071316504 562717922 /nfs/dbraw/zinc/71/79/22/562717922.db2.gz HCNMECLUINAZJI-HKBQPEDESA-N 0 3 606.833 4.176 1 0 KIAFHN COc1cc(C)c(S(=O)(=O)N[C@H](C(=O)N(CCCN2CCN(C)CC2)Cc2ccccc2)c2ccccc2)c(C)c1C ZINC000071316774 562718021 /nfs/dbraw/zinc/71/80/21/562718021.db2.gz XEPZFPHEEDVGBI-HKBQPEDESA-N 0 3 592.806 4.306 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CC[C@H]1CN(c2nc(N)c(C(=O)NCC(F)(F)F)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000073156735 562733853 /nfs/dbraw/zinc/73/38/53/562733853.db2.gz DYIXAZRMYDXDKM-SFHVURJKSA-N 0 3 574.479 4.223 1 0 KIAFHN CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)C1=O ZINC000073161306 562734085 /nfs/dbraw/zinc/73/40/85/562734085.db2.gz SMPAHDBHYSCFQF-NMZYJBRJSA-N 0 3 642.841 4.028 1 0 KIAFHN CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)C1=O ZINC000073161310 562734074 /nfs/dbraw/zinc/73/40/74/562734074.db2.gz SMPAHDBHYSCFQF-SXXDCNOLSA-N 0 3 642.841 4.028 1 0 in-vitro KIAFHN CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(C)CC)cc2)N2CCN(Cc3cnc(C)[nH]3)CC2)c1 ZINC000073164538 562734309 /nfs/dbraw/zinc/73/43/09/562734309.db2.gz VPSNPANVSANEOB-HHHXNRCGSA-N 0 3 518.662 4.286 1 0 KIAFHN COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(Cl)c(F)c2)C2CC2)cc(OCCOC)c1 ZINC000073167244 562734607 /nfs/dbraw/zinc/73/46/07/562734607.db2.gz KRWJFUBQWFLSGP-IRPSRAIASA-N 0 3 549.083 4.072 1 0 KIAFHN CCCCN(C)C(=O)n1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)c2cccnc21 ZINC000073169131 562734788 /nfs/dbraw/zinc/73/47/88/562734788.db2.gz FYMFLFJIGGNMRC-SSBOKUKZSA-N 0 3 575.660 4.431 1 0 KIAFHN COCCCc1ccc(F)c2c(CN(C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)C3CC3)c[nH]c21 ZINC000073195833 562734939 /nfs/dbraw/zinc/73/49/39/562734939.db2.gz YXCBIJXQIYZLHF-PIKZIKFNSA-N 0 3 515.576 4.153 1 0 KIAFHN O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CNC3CC3)ccc2Cl)C2CC2)cc1)c1ccccc1 ZINC000073198723 562735805 /nfs/dbraw/zinc/73/58/05/562735805.db2.gz SHKHDPGITHQNRY-SSEXGKCCSA-N 0 3 587.120 4.445 1 0 KIAFHN COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OCCN5CCCCC5)cc43)cn2)c1 ZINC000073222449 562736391 /nfs/dbraw/zinc/73/63/91/562736391.db2.gz OSEYUXXMDLYZKE-UHFFFAOYSA-N 0 3 532.601 4.139 1 0 KIAFHN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2ccccc2)N2CCC(C(C)=O)CC2)CC1 ZINC000073275584 562737251 /nfs/dbraw/zinc/73/72/51/562737251.db2.gz KIBDJJXRHBWQSZ-HKBQPEDESA-N 0 3 567.796 4.378 1 0 KIAFHN CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@H](c2ccccc2)N2CCC(C(C)=O)CC2)CC1 ZINC000073275587 562737281 /nfs/dbraw/zinc/73/72/81/562737281.db2.gz KIBDJJXRHBWQSZ-WJOKGBTCSA-N 0 3 567.796 4.378 1 0 KIAFHN COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc([O-])c(NC=O)c3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000073292696 562737548 /nfs/dbraw/zinc/73/75/48/562737548.db2.gz FUMSMBXWHGSXJH-DPZBCOQUSA-N 0 3 566.699 4.214 1 0 KIAFHN COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc([O-])c(NC=O)c3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000073292697 562737569 /nfs/dbraw/zinc/73/75/69/562737569.db2.gz FUMSMBXWHGSXJH-XFAFFCHDSA-N 0 3 566.699 4.214 1 0 KIAFHN COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc([O-])c(NC=O)c3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000073292701 562737561 /nfs/dbraw/zinc/73/75/61/562737561.db2.gz FUMSMBXWHGSXJH-DXBVXKBHSA-N 0 3 566.699 4.214 1 0 KIAFHN COc1ccc(C2=NN(CCCCCC[NH2+]C[C@H](O)c3ccc([O-])c(NC=O)c3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000073292702 562737564 /nfs/dbraw/zinc/73/75/64/562737564.db2.gz FUMSMBXWHGSXJH-OASJLCFRSA-N 0 3 566.699 4.214 1 0 KIAFHN O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cnoc2)c2cccc(F)c12)C1CC1 ZINC000073404088 562738689 /nfs/dbraw/zinc/73/86/89/562738689.db2.gz GSTOXAXQXFXCNT-PIKZIKFNSA-N 0 3 524.543 4.083 1 0 KIAFHN COc1ccc2ccc(S(=O)(=O)N(Cc3ccsc3)[C@H]3CCN(Cc4csc(C(=N)N)c4)C3=O)cc2c1 ZINC000082092502 562738863 /nfs/dbraw/zinc/73/88/63/562738863.db2.gz GWOFKCKOEZWDOK-QHCPKHFHSA-N 0 3 554.719 4.247 1 0 KIAFHN CC(=O)N[C@]1(CC(C)C)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O ZINC000082136664 562739023 /nfs/dbraw/zinc/73/90/23/562739023.db2.gz JJJDOYFRIVNWHV-WUCUQKTKSA-N 0 3 660.806 4.222 1 0 in-vitro KIAFHN CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O ZINC000082137914 562739008 /nfs/dbraw/zinc/73/90/08/562739008.db2.gz XLKDNRYXYLCLKU-MHUVBVRWSA-N 0 3 660.806 4.222 1 0 KIAFHN CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O ZINC000082137915 562739002 /nfs/dbraw/zinc/73/90/02/562739002.db2.gz XLKDNRYXYLCLKU-PNCBXCILSA-N 0 3 660.806 4.222 1 0 KIAFHN CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3ccccc3CN2)C1=O ZINC000082137948 562739027 /nfs/dbraw/zinc/73/90/27/562739027.db2.gz XLKDNRYXYLCLKU-MYNJJXQVSA-N 0 3 660.806 4.222 1 0 KIAFHN CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3ccccc3CN2)C1=O ZINC000082137949 562739031 /nfs/dbraw/zinc/73/90/31/562739031.db2.gz XLKDNRYXYLCLKU-ZXVFGHITSA-N 0 3 660.806 4.222 1 0 KIAFHN COCCCc1cc(CCCNS(C)(=O)=O)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000082137974 562739073 /nfs/dbraw/zinc/73/90/73/562739073.db2.gz XYRCXXGEWXZMCD-NEEKEDPPSA-N 0 3 640.193 4.205 1 0 KIAFHN COCCCc1cc(CCCN2CCS(=O)(=O)CC2)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1 ZINC000082137977 562739077 /nfs/dbraw/zinc/73/90/77/562739077.db2.gz UYULRDAPYWFIRZ-SJHOIFEDSA-N 0 3 680.258 4.386 1 0 KIAFHN CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O ZINC000082138074 562739195 /nfs/dbraw/zinc/73/91/95/562739195.db2.gz ZRBJRIFNTXBCRI-BWNLSPMZSA-N 0 3 637.768 4.162 1 0 KIAFHN COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 ZINC000082138105 562739227 /nfs/dbraw/zinc/73/92/27/562739227.db2.gz FLLNPTJXMMMUIQ-FMOZQJFPSA-N 0 3 676.805 4.060 1 0 KIAFHN CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O ZINC000082138106 562739239 /nfs/dbraw/zinc/73/92/39/562739239.db2.gz RCAZOLSIRITUKZ-BAPDXFNQSA-N 0 3 678.821 4.306 1 0 KIAFHN CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O ZINC000082138107 562739207 /nfs/dbraw/zinc/73/92/07/562739207.db2.gz RCAZOLSIRITUKZ-JLYIGVDZSA-N 0 3 678.821 4.306 1 0 KIAFHN CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](N)C(C)C)O4)c(=O)nc3o2)cc1 ZINC000082139271 562739248 /nfs/dbraw/zinc/73/92/48/562739248.db2.gz YWMSTMRFRVOUSA-IFKVSGBNSA-N 0 3 741.886 4.283 1 0 KIAFHN CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082140107 562739361 /nfs/dbraw/zinc/73/93/61/562739361.db2.gz OTVGKTJOMMZKIN-MRCUYLHHSA-N 0 3 651.752 4.140 1 0 KIAFHN Cc1ccncc1CN(c1ccc([S@](C)=O)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000082155317 562740531 /nfs/dbraw/zinc/74/05/31/562740531.db2.gz CXDATJCGJCBTES-NMKYRHBASA-N 0 3 548.757 4.214 1 0 KIAFHN Cc1ccncc1CN(c1ccc([S@@](C)=O)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)ncnc2C)CC1 ZINC000082155318 562740515 /nfs/dbraw/zinc/74/05/15/562740515.db2.gz CXDATJCGJCBTES-HEWAONCGSA-N 0 3 548.757 4.214 1 0 KIAFHN CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2ccc(OCCN3CCN(C)CC3)c(c2)C1 ZINC000082156829 562740767 /nfs/dbraw/zinc/74/07/67/562740767.db2.gz JZZOHGCQTMNNHS-ONEGZZNKSA-N 0 3 514.674 4.284 1 0 KIAFHN Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C4(C(=O)N5CCN(C(=O)CCCC[NH3+])CC5)CCOCC4)c3Cl)c2n1 ZINC000082181777 562741985 /nfs/dbraw/zinc/74/19/85/562741985.db2.gz PFDFEFYVSAWUFO-UHFFFAOYSA-N 0 3 706.693 4.365 1 0 KIAFHN CC(=O)N[C@]1(CC(C)C)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3ccccc3CN2)C1=O ZINC000082190378 562742569 /nfs/dbraw/zinc/74/25/69/562742569.db2.gz JJJDOYFRIVNWHV-KPCONBHMSA-N 0 3 660.806 4.222 1 0 KIAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 ZINC000084587226 562743518 /nfs/dbraw/zinc/74/35/18/562743518.db2.gz NYAVJXWOIUBMDR-UIOOFZCWSA-N 0 3 591.675 4.115 1 0 KIAFHN CC(=O)N1CCC(C(=O)N(CCCN2CCC(CNc3ncccn3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084596036 562743635 /nfs/dbraw/zinc/74/36/35/562743635.db2.gz UDEJLQNCPTXIRE-UHFFFAOYSA-N 0 3 527.113 4.244 1 0 KIAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)c2ccccc2)c(C)c1 ZINC000084596114 562743617 /nfs/dbraw/zinc/74/36/17/562743617.db2.gz ZBIJSTZDZCPBBF-AHWVRZQESA-N 0 3 513.560 4.060 1 0 KIAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 ZINC000084596646 562743784 /nfs/dbraw/zinc/74/37/84/562743784.db2.gz XXSYYROUPIQINM-GOTSBHOMSA-N 0 3 509.569 4.095 1 0 KIAFHN CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br ZINC000084596661 562743760 /nfs/dbraw/zinc/74/37/60/562743760.db2.gz SEGYVZKSGPIGLE-KOSHJBKYSA-N 0 3 520.374 4.026 1 0 KIAFHN CN1CCN(Cc2ccc(Nc3ncc(Cl)c(-c4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084596663 562743796 /nfs/dbraw/zinc/74/37/96/562743796.db2.gz RJDWEZHVKJPGPL-UHFFFAOYSA-N 0 3 545.084 4.212 1 0 KIAFHN CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N(C)C3CCN(C)CC3)cc2)ncc1Cl ZINC000084596664 562743770 /nfs/dbraw/zinc/74/37/70/562743770.db2.gz IXXWDPGESOQMEG-UHFFFAOYSA-N 0 3 530.098 4.398 1 0 KIAFHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H](C1CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084604360 562744270 /nfs/dbraw/zinc/74/42/70/562744270.db2.gz FYALXMSHRVYJDG-SSEXGKCCSA-N 0 3 538.648 4.433 1 0 KIAFHN CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br ZINC000084616305 562744595 /nfs/dbraw/zinc/74/45/95/562744595.db2.gz WPTSXGNZZOZOLL-KOSHJBKYSA-N 0 3 538.364 4.165 1 0 KIAFHN CCC[C@H](O)[C@H](CN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000084616321 562744601 /nfs/dbraw/zinc/74/46/01/562744601.db2.gz BVWJBXPYCNRVLJ-UIOOFZCWSA-N 0 3 593.691 4.360 1 0 KIAFHN CC(=O)NCCc1ccccc1-c1noc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br ZINC000084616579 562744618 /nfs/dbraw/zinc/74/46/18/562744618.db2.gz MMQZUVZXVOBUEW-KOSHJBKYSA-N 0 3 520.374 4.026 1 0 KIAFHN Cc1nc(N2CCN(C3CCOCC3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084616755 562744640 /nfs/dbraw/zinc/74/46/40/562744640.db2.gz FATLRKJCHAOJJR-UHFFFAOYSA-N 0 3 545.562 4.155 1 0 KIAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 ZINC000084617341 562744866 /nfs/dbraw/zinc/74/48/66/562744866.db2.gz YGOCSXYXTZRMLB-GOTSBHOMSA-N 0 3 508.585 4.128 1 0 KIAFHN CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1C(F)(F)F ZINC000084618191 562745072 /nfs/dbraw/zinc/74/50/72/562745072.db2.gz QGBJUFFSIXSITO-UHFFFAOYSA-N 0 3 513.568 4.432 1 0 KIAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000084618428 562745058 /nfs/dbraw/zinc/74/50/58/562745058.db2.gz ACFBGSHYQKWEDV-DQEYMECFSA-N 0 3 579.664 4.018 1 0 KIAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)NCC)cc(C(F)(F)F)c1 ZINC000084633155 562745658 /nfs/dbraw/zinc/74/56/58/562745658.db2.gz LJOSKDWMASSFAZ-ZEQRLZLVSA-N 0 3 565.637 4.228 1 0 KIAFHN CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1OC ZINC000084633160 562745655 /nfs/dbraw/zinc/74/56/55/562745655.db2.gz KXWNTVQCYZNJRZ-VXKWHMMOSA-N 0 3 509.569 4.095 1 0 KIAFHN CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084633967 562745797 /nfs/dbraw/zinc/74/57/97/562745797.db2.gz UZBAAHPJEABJQF-UHFFFAOYSA-N 0 3 560.099 4.288 1 0 KIAFHN CN(c1ccc(F)cc1S(=O)(=O)N1CCCC1)c1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl ZINC000084634135 562745840 /nfs/dbraw/zinc/74/58/40/562745840.db2.gz LCPBTKFYDZMFAL-UHFFFAOYSA-N 0 3 574.126 4.313 1 0 KIAFHN O=C(Cc1c[nH]cn1)N1CCN(Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084634507 562745929 /nfs/dbraw/zinc/74/59/29/562745929.db2.gz KLPVZJKUPNMUTE-MHZLTWQESA-N 0 3 513.573 4.235 1 0 KIAFHN O=C(C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCN1CCN(c2ccncc2)CC1 ZINC000084634980 562746066 /nfs/dbraw/zinc/74/60/66/562746066.db2.gz IDZOADSETDAIJB-HSZRJFAPSA-N 0 3 588.561 4.227 1 0 KIAFHN O=C(C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCN1CCN(c2ccncc2)CC1 ZINC000084634984 562746043 /nfs/dbraw/zinc/74/60/43/562746043.db2.gz IDZOADSETDAIJB-QHCPKHFHSA-N 0 3 588.561 4.227 1 0 KIAFHN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(CN)n(C)n(-c3ccccc3)c2=O)cc1F ZINC000084652126 562746423 /nfs/dbraw/zinc/74/64/23/562746423.db2.gz RYQBKVFFHMNFTM-UHFFFAOYSA-N 0 3 513.529 4.375 1 0 KIAFHN COc1cc(N2CCC(C(=O)N3CC[C@@H](N(C)C)C3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084652153 562746457 /nfs/dbraw/zinc/74/64/57/562746457.db2.gz DANLGJDQJRMLRP-HSZRJFAPSA-N 0 3 561.735 4.229 1 0 KIAFHN COc1cc(N2CCC(C(=O)N3CC[C@H](N(C)C)C3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084652154 562746429 /nfs/dbraw/zinc/74/64/29/562746429.db2.gz DANLGJDQJRMLRP-QHCPKHFHSA-N 0 3 561.735 4.229 1 0 KIAFHN COc1cc(N2CCC(CN3CCOCC3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084652156 562746455 /nfs/dbraw/zinc/74/64/55/562746455.db2.gz OLOBPNVGBFMVHS-UHFFFAOYSA-N 0 3 520.682 4.398 1 0 KIAFHN 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501.618 4.393 1 0 KIAFHN CCN(CC)CC(=O)Nc1cc2c3cc(NC(=O)CN(CC)CC)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084671280 562748524 /nfs/dbraw/zinc/74/85/24/562748524.db2.gz NGFCKBCDEMOLQU-UHFFFAOYSA-N 0 3 555.687 4.253 1 0 KIAFHN COc1cc(N2CCN(C[C@@H]3CCOC3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084671558 562748578 /nfs/dbraw/zinc/74/85/78/562748578.db2.gz OOKFETVTUPUMHG-IBGZPJMESA-N 0 3 506.655 4.008 1 0 KIAFHN COc1cc(N2CCN(C[C@H]3CCOC3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084671559 562748560 /nfs/dbraw/zinc/74/85/60/562748560.db2.gz OOKFETVTUPUMHG-LJQANCHMSA-N 0 3 506.655 4.008 1 0 KIAFHN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N(C)CCN(C)C)oc2c1 ZINC000084672180 562748758 /nfs/dbraw/zinc/74/87/58/562748758.db2.gz FTKKBBITVQQSEP-WUFINQPMSA-N 0 3 622.792 4.279 1 0 KIAFHN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NCCN(C)C)oc2c1 ZINC000084690463 562749600 /nfs/dbraw/zinc/74/96/00/562749600.db2.gz GUUNMYDKORYEGX-RRPNLBNLSA-N 0 3 608.765 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4.199 1 0 KIAFHN CCNCOc1cc(OC)c2c3c1CNc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OCCCO)c1)CO4 ZINC000085567537 560070365 /nfs/dbraw/zinc/07/03/65/560070365.db2.gz ZLZPODWUSOWXIZ-BGOLNKOXSA-N 0 3 578.662 4.017 1 0 biogenic,in-vitro KIAFHN CCN[C@H](CCCO)Oc1cc(OC)c2c3c1CNc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567540 291833987 /nfs/dbraw/zinc/83/39/87/291833987.db2.gz SHZZYFWKDCPCPH-PGRZUCIQSA-N 0 3 592.689 4.406 1 0 biogenic,in-vitro KIAFHN CCN[C@H](CCCO)Oc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567544 560070385 /nfs/dbraw/zinc/07/03/85/560070385.db2.gz PLTAVVIGHDBLEB-AZXNYEMZSA-N 0 3 581.662 4.186 1 0 biogenic,in-vitro KIAFHN CCNCOc1cc(OC)c2c3c1CNc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567547 560070362 /nfs/dbraw/zinc/07/03/62/560070362.db2.gz DZNJUGBBPMYXRA-SLQAJWMNSA-N 0 3 534.609 4.265 1 0 biogenic,in-vitro KIAFHN CCNCOc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567565 291833251 /nfs/dbraw/zinc/83/32/51/291833251.db2.gz CXBONTVTWCHUTN-MMTVBGGISA-N 0 3 523.582 4.045 1 0 biogenic,in-vitro KIAFHN CCNCOc1cc(OC)c2c3c1CCc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567576 560070369 /nfs/dbraw/zinc/07/03/69/560070369.db2.gz NJLMTIOAABVNCJ-JRPXNJEYSA-N 0 3 533.621 4.438 1 0 biogenic,in-vitro KIAFHN CCN[C@H](CCCO)Oc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567590 291833983 /nfs/dbraw/zinc/83/39/83/291833983.db2.gz YAURUPCNFDWSJK-PPSCSQRBSA-N 0 3 565.663 4.480 1 0 biogenic,in-vitro KIAFHN CCNCOc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OCCCO)c1)CO3 ZINC000085567591 291833204 /nfs/dbraw/zinc/83/32/04/291833204.db2.gz MVROYXDOQLDNBV-NGQVCNFZSA-N 0 3 551.636 4.092 1 0 biogenic,in-vitro KIAFHN CCNCOc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3 ZINC000085567604 560070403 /nfs/dbraw/zinc/07/04/03/560070403.db2.gz OCKZEGFBKPZENF-DWACAAAGSA-N 0 3 507.583 4.339 1 0 biogenic,in-vitro KIAFHN CCNCc1cc(O)c(OC)cc1[C@H]1Oc2c(ccc3c2CCc2cc(O)cc(OCO)c2-3)[C@@H]1COC(C)=O ZINC000085568446 291833198 /nfs/dbraw/zinc/83/31/98/291833198.db2.gz OQZIHXSKVDQKEZ-QABMSTFYSA-N 0 3 535.593 4.091 1 0 biogenic,in-vitro KIAFHN CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@H](CCCOC)O2 ZINC000085592934 291837615 /nfs/dbraw/zinc/83/76/15/291837615.db2.gz JDMHDKMHIKSPOG-VUUBULTESA-N 0 3 579.690 4.299 1 0 biogenic,in-vitro KIAFHN CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)[C@H](CCCOC)O2 ZINC000085592950 291837624 /nfs/dbraw/zinc/83/76/24/291837624.db2.gz UUMAAWUNIFXUFO-RLFVSDTQSA-N 0 3 527.658 4.315 1 0 biogenic,in-vitro KIAFHN C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595212 565152661 /nfs/dbraw/zinc/15/26/61/565152661.db2.gz VCGDXXSRDSXIQB-SSDUYVFGSA-N 0 3 615.683 4.135 1 0 biogenic,in-vitro KIAFHN C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595212 565152658 /nfs/dbraw/zinc/15/26/58/565152658.db2.gz VCGDXXSRDSXIQB-SSDUYVFGSA-N 0 3 615.683 4.135 1 0 biogenic,in-vitro KIAFHN C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595219 565152762 /nfs/dbraw/zinc/15/27/62/565152762.db2.gz HGVOOIVHGAZKGL-SSDUYVFGSA-N 0 3 615.683 4.135 1 0 biogenic,in-vitro KIAFHN C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595219 565152759 /nfs/dbraw/zinc/15/27/59/565152759.db2.gz HGVOOIVHGAZKGL-SSDUYVFGSA-N 0 3 615.683 4.135 1 0 biogenic,in-vitro KIAFHN C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C ZINC000085595252 565152918 /nfs/dbraw/zinc/15/29/18/565152918.db2.gz JNGZFDWUCBPYMJ-DYHRWLNRSA-N 0 3 629.710 4.229 1 0 biogenic,in-vitro KIAFHN C/C=C(/C[NH2+]CC)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C ZINC000085595252 565152912 /nfs/dbraw/zinc/15/29/12/565152912.db2.gz JNGZFDWUCBPYMJ-DYHRWLNRSA-N 0 3 629.710 4.229 1 0 biogenic,in-vitro KIAFHN C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C ZINC000085595260 565152860 /nfs/dbraw/zinc/15/28/60/565152860.db2.gz XQIXVWCVEZLBII-DYHRWLNRSA-N 0 3 629.710 4.229 1 0 biogenic,in-vitro KIAFHN C/C=C(/CC[NH2+]C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C ZINC000085595260 565152854 /nfs/dbraw/zinc/15/28/54/565152854.db2.gz XQIXVWCVEZLBII-DYHRWLNRSA-N 0 3 629.710 4.229 1 0 biogenic,in-vitro KIAFHN C[NH2+]C[C@H]1CCC[C@H](CCCC(O)=C([O-])C(=O)CCc2cc(OC)c(O)c([C@@H]3c4ccnc(N)c4C=C[C@@]3(CO)Cc3ccc[nH]3)c2)C1 ZINC000085631361 565163699 /nfs/dbraw/zinc/16/36/99/565163699.db2.gz HEXCFGSJCRWRBJ-ACTWAUODSA-N 0 3 657.832 4.500 1 0 biogenic,in-vitro KIAFHN CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2)c1 ZINC000085632277 291837609 /nfs/dbraw/zinc/83/76/09/291837609.db2.gz WJZXZPRVYDDWGQ-PTYIDMFESA-N 0 3 587.693 4.402 1 0 biogenic,in-vitro KIAFHN CC[C@@]12C[C@H]3CN(C1)CCc1c4ccccc4[nH]c1[C@@](C(=O)OC)(c1cc4c(cc1OC)N(C)[C@@H]1[C@]45CCN4CC=C[C@](CC)([C@H]45)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)[C@@H]3O2 ZINC000095535648 562753730 /nfs/dbraw/zinc/75/37/30/562753730.db2.gz KMWVJRBQGMUMID-YFEYGGLVSA-N 0 3 808.973 4.007 1 0 KIAFHN Nc1nc(C(=CCNC(=O)c2cc(Br)c(Br)[nH]2)c2[nH]c(N)nc2C=CCNC(=O)c2cc(Br)c(Br)[nH]2)c[nH]1 ZINC000095539799 562755289 /nfs/dbraw/zinc/75/52/89/562755289.db2.gz HVSCSPHJFJDZCZ-BARZBYPCSA-N 0 3 776.086 4.308 1 0 KIAFHN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCCN1CCCCC1)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000095539878 562755355 /nfs/dbraw/zinc/75/53/55/562755355.db2.gz UWPKEOPKNJLLPO-NINLVYDZSA-N 0 3 766.018 4.299 1 0 KIAFHN 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4.428 1 0 KIAFHN COc1cc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)ccc1F ZINC000095574267 562769911 /nfs/dbraw/zinc/76/99/11/562769911.db2.gz DTZPIFYDDLMENC-CCDWMCETSA-N 0 3 513.654 4.262 1 0 KIAFHN COCC(=O)N[C@@H](Cc1cccc(-c2nccn2C)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095574612 562770030 /nfs/dbraw/zinc/77/00/30/562770030.db2.gz OWSUWCSVFOZIGR-HZFUHODCSA-N 0 3 575.754 4.141 1 0 KIAFHN COc1ccc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)cc1OC ZINC000095575178 562770272 /nfs/dbraw/zinc/77/02/72/562770272.db2.gz UVODFPUSJFFSKE-CCDWMCETSA-N 0 3 525.690 4.132 1 0 KIAFHN CC(C)C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095576469 562770651 /nfs/dbraw/zinc/77/06/51/562770651.db2.gz NJCPSTDAZOLOFF-CCDWMCETSA-N 0 3 537.701 4.479 1 0 KIAFHN CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccc3c(c1)OCO3)NC(=O)[C@@H]1CCCO1)CC1(CCC1)O2 ZINC000095577035 562770858 /nfs/dbraw/zinc/77/08/58/562770858.db2.gz GYFMZUJFUIFICF-CLPFNFTISA-N 0 3 565.711 4.002 1 0 KIAFHN CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577754 562771060 /nfs/dbraw/zinc/77/10/60/562771060.db2.gz KVLZAJQNNNTHPD-CCDWMCETSA-N 0 3 501.618 4.393 1 0 KIAFHN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2CN(CCO)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095579088 562771425 /nfs/dbraw/zinc/77/14/25/562771425.db2.gz SGKCFBSHEIOVRA-XPYDGVJRSA-N 0 3 505.018 4.221 1 0 KIAFHN CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(=O)NCC(C)C ZINC000095579612 562771613 /nfs/dbraw/zinc/77/16/13/562771613.db2.gz GPJMPGWBMWJZEY-HFYAYSLXSA-N 0 3 649.858 4.055 1 0 KIAFHN COc1ccc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc32)cc1F ZINC000095580547 562771882 /nfs/dbraw/zinc/77/18/82/562771882.db2.gz RSABACCPSRMLRM-CCDWMCETSA-N 0 3 513.654 4.262 1 0 KIAFHN CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O ZINC000095580596 562771872 /nfs/dbraw/zinc/77/18/72/562771872.db2.gz IUJKXMIDCSUDHI-NNHILTQISA-N 0 3 676.862 4.327 1 0 KIAFHN CN(C)CC(CN(C)C)NC(=O)COc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095582296 562772510 /nfs/dbraw/zinc/77/25/10/562772510.db2.gz ABXPSNYVYCIKKV-UHFFFAOYSA-N 0 3 589.553 4.054 1 0 KIAFHN COCCCCC1(CNC(=O)[C@H]2CNC[C@@H](NS(=O)(=O)c3ccc(C)cc3)C2)c2ccccc2Oc2ccccc21 ZINC000095582753 562772692 /nfs/dbraw/zinc/77/26/92/562772692.db2.gz LBPUIWQYAGTBDC-RPBOFIJWSA-N 0 3 577.747 4.276 1 0 KIAFHN COCCCCC1(CNC(=O)[C@@H]2CNC[C@H](NS(=O)(=O)c3ccc(C)cc3)C2)c2ccccc2Oc2ccccc21 ZINC000095584308 562773202 /nfs/dbraw/zinc/77/32/02/562773202.db2.gz LBPUIWQYAGTBDC-LOSJGSFVSA-N 0 3 577.747 4.276 1 0 in-vitro KIAFHN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCC(=O)NCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000095591845 562775783 /nfs/dbraw/zinc/77/57/83/562775783.db2.gz FFHRMSGTKYEMTH-MDHXRGRUSA-N 0 3 838.060 4.477 1 0 KIAFHN CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)C2)CC1 ZINC000095593460 562776255 /nfs/dbraw/zinc/77/62/55/562776255.db2.gz KTCRERUXCWRGKR-QGZVFWFLSA-N 0 3 517.262 4.027 1 0 KIAFHN CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN4CC[NH2+]CC4)c(C)c3oc2=O)ccc1[O-] ZINC000095593929 562776350 /nfs/dbraw/zinc/77/63/50/562776350.db2.gz DXDVPVWJCWABQO-UHFFFAOYSA-N 0 3 505.615 4.242 1 0 KIAFHN O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095598705 562777431 /nfs/dbraw/zinc/77/74/31/562777431.db2.gz OJBHRHOQEWVARJ-BXAWWBQVSA-N 0 3 530.621 4.220 1 0 KIAFHN COc1ccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(C(=O)c5ccc6c(c5)OCO6)C[C@H]34)cc2)cc1 ZINC000095598743 562777483 /nfs/dbraw/zinc/77/74/83/562777483.db2.gz UFXRSNFCWVZUQM-ALTZYDRJSA-N 0 3 500.595 4.156 1 0 KIAFHN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095599134 562777787 /nfs/dbraw/zinc/77/77/87/562777787.db2.gz GICWHENSWCRTTD-WYEJZRMESA-N 0 3 571.600 4.100 1 0 KIAFHN O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095599229 562777874 /nfs/dbraw/zinc/77/78/74/562777874.db2.gz OJBHRHOQEWVARJ-MHTMXISKSA-N 0 3 530.621 4.220 1 0 KIAFHN CN1C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCCN3CCCCC3)CC[C@@H]21 ZINC000095599657 562778242 /nfs/dbraw/zinc/77/82/42/562778242.db2.gz XIGYLWQKLZSYNZ-NRRYGQPISA-N 0 3 584.117 4.357 1 0 KIAFHN Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095599781 562778319 /nfs/dbraw/zinc/77/83/19/562778319.db2.gz WEIFQNHLUCKZCL-OSWQYVSFSA-N 0 3 535.645 4.288 1 0 KIAFHN Cc1cc(C(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095599802 562778316 /nfs/dbraw/zinc/77/83/16/562778316.db2.gz QDWNULGEXLCSRK-QRRVGDGBSA-N 0 3 587.643 4.352 1 0 KIAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000095599869 562778396 /nfs/dbraw/zinc/77/83/96/562778396.db2.gz NCOUJUBTEWMJHZ-CUVVAGTFSA-N 0 3 577.644 4.423 1 0 KIAFHN Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)O[C@@H]1CO2 ZINC000095600881 562779328 /nfs/dbraw/zinc/77/93/28/562779328.db2.gz JZQJXXSKGFWMTL-HLBHGXTFSA-N 0 3 616.719 4.097 1 0 KIAFHN COc1ccc(CN(C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095600903 562779334 /nfs/dbraw/zinc/77/93/34/562779334.db2.gz VJXHRMPDQSPMOP-KFCPHXPSSA-N 0 3 604.704 4.349 1 0 KIAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095600987 562779356 /nfs/dbraw/zinc/77/93/56/562779356.db2.gz KBMPCTIBOSXGBL-VDWGHMIBSA-N 0 3 536.717 4.422 1 0 KIAFHN O=C(NCCNC[C@H](O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000095601422 562779596 /nfs/dbraw/zinc/77/95/96/562779596.db2.gz CKJMGRBGGHYNMP-NRFANRHFSA-N 0 3 525.568 4.194 1 0 KIAFHN O=C(NCCNC[C@@H](O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000095601423 562779585 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Nc1cc(CN2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(Cc5ccccc5)c4=O)CC3)CC2)ccn1 ZINC000096285305 562795453 /nfs/dbraw/zinc/79/54/53/562795453.db2.gz YQKOTNLRNQDUTM-UHFFFAOYSA-N 0 3 542.659 4.043 1 0 KIAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccnc2)CC1 ZINC000096285417 562795669 /nfs/dbraw/zinc/79/56/69/562795669.db2.gz NAECBSHMFGJZKH-ZBLYBZFDSA-N 0 3 533.721 4.273 1 0 KIAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2cccnc2)CC1 ZINC000096285418 562795663 /nfs/dbraw/zinc/79/56/63/562795663.db2.gz NAECBSHMFGJZKH-IDISGSTGSA-N 0 3 533.721 4.273 1 0 KIAFHN Cc1ncnc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccnc2)CC1 ZINC000096285419 562795673 /nfs/dbraw/zinc/79/56/73/562795673.db2.gz NAECBSHMFGJZKH-JIPXPUAJSA-N 0 3 533.721 4.273 1 0 KIAFHN Cc1ncnc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2cccnc2)CC1 ZINC000096285420 562795645 /nfs/dbraw/zinc/79/56/45/562795645.db2.gz NAECBSHMFGJZKH-KDYSTLNUSA-N 0 3 533.721 4.273 1 0 KIAFHN 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COc1cc2c(cc1OC)C(NC(=O)CN1CCN(Cc3ccccc3F)CC1)c1cnn(-c3ccccc3)c1-2 ZINC000103300487 562824938 /nfs/dbraw/zinc/82/49/38/562824938.db2.gz DWPVIADNDHFBJF-SSEXGKCCSA-N 0 3 541.627 4.032 1 0 KIAFHN COc1cc2nc(N3CCN(c4ccccn4)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC ZINC000105142509 562825144 /nfs/dbraw/zinc/82/51/44/562825144.db2.gz ZVFCREVCGFDCBE-UHFFFAOYSA-N 0 3 539.684 4.445 1 0 KIAFHN CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(C)c2)nc1NC1CCC(O)(C(C)C)CC1 ZINC000113476764 562826514 /nfs/dbraw/zinc/82/65/14/562826514.db2.gz XESXLGAWQNDUJX-UHFFFAOYSA-N 0 3 592.833 4.148 1 0 KIAFHN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C5CCCC5)CC4)cn3)nc2n1C1CCCC1 ZINC000113524581 562826600 /nfs/dbraw/zinc/82/66/00/562826600.db2.gz ACJGJMCIFMQOSA-UHFFFAOYSA-N 0 3 502.667 4.451 1 0 KIAFHN COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H](NCc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000113540853 562826623 /nfs/dbraw/zinc/82/66/23/562826623.db2.gz FIUDDEQHPBHZBI-XPLIUGCLSA-N 0 3 560.654 4.102 1 0 in-vitro KIAFHN C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)C(=O)N(CC[NH+](C)C)C3 ZINC000113834104 562826852 /nfs/dbraw/zinc/82/68/52/562826852.db2.gz LRJJEMRURFIKDD-ZDUSSCGKSA-N 0 3 542.537 4.035 1 0 KIAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4cnc(N5CC[NH2+]CC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114039281 562827388 /nfs/dbraw/zinc/82/73/88/562827388.db2.gz PVRDXZWKQIGTTM-UHFFFAOYSA-N 0 3 504.978 4.415 1 0 KIAFHN COc1cccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2Cc2ccccc2)C3(C)C)c1 ZINC000114179573 562827761 /nfs/dbraw/zinc/82/77/61/562827761.db2.gz QPTXUILVOKMXLI-GOTSBHOMSA-N 0 3 528.657 4.233 1 0 KIAFHN CC1(C)c2[nH]nc(NC(=O)c3ccc4ccncc4n3)c2CN1C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000114180994 562827780 /nfs/dbraw/zinc/82/77/80/562827780.db2.gz QBWHEKWORLRTRF-GOTSBHOMSA-N 0 3 550.667 4.167 1 0 KIAFHN C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3c(F)cccc3C(F)(F)F)n[nH]c2C1(C)C ZINC000114181044 562827794 /nfs/dbraw/zinc/82/77/94/562827794.db2.gz PMJWZOOCPCIFCN-KBPBESRZSA-N 0 3 508.520 4.159 1 0 KIAFHN COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2Cc2ccccc2)C3(C)C)cc1 ZINC000114183146 562827848 /nfs/dbraw/zinc/82/78/48/562827848.db2.gz YNXUDMVMRCJRGH-GOTSBHOMSA-N 0 3 528.657 4.233 1 0 KIAFHN C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C(F)(F)F)ccc3F)n[nH]c2C1(C)C ZINC000114183201 562827860 /nfs/dbraw/zinc/82/78/60/562827860.db2.gz HHMOALRLXTVPKK-ZFWWWQNUSA-N 0 3 508.520 4.159 1 0 KIAFHN C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccc(C(F)(F)F)cn4)n[nH]c3C2(C)C)[C@@H](C)CN1CC1CCOCC1 ZINC000114184417 562827913 /nfs/dbraw/zinc/82/79/13/562827913.db2.gz KIDSAMBMXNPHKM-SJORKVTESA-N 0 3 563.625 4.068 1 0 KIAFHN C[C@@H]1CCCN1c1cc(C(=O)Nc2cccc([C@@H](CN(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1 ZINC000114345959 562828037 /nfs/dbraw/zinc/82/80/37/562828037.db2.gz IVOSBLQIUULOJZ-KBMIEXCESA-N 0 3 538.656 4.080 1 0 KIAFHN C[C@H]1CCCN1c1cc(C(=O)Nc2cccc([C@@H](CN(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1 ZINC000114345960 562828017 /nfs/dbraw/zinc/82/80/17/562828017.db2.gz 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561.129 4.421 1 0 KIAFHN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ncc(CN4CCN(C)CC4)[nH]3)c3nccnc23)c1Cl ZINC000115295036 562828815 /nfs/dbraw/zinc/82/88/15/562828815.db2.gz OIOCAEZDOFSWBM-UHFFFAOYSA-N 0 3 556.454 4.344 1 0 KIAFHN CN1CCn2nc(Nc3cc(-c4cc(F)cc(N5CCc6c7c(sc6C5=O)CC(C)(C)C7)c4CO)cn(C)c3=O)cc2C1 ZINC000116055119 562829220 /nfs/dbraw/zinc/82/92/20/562829220.db2.gz ZNNXETORLLRJSI-UHFFFAOYSA-N 0 3 602.736 4.458 1 0 KIAFHN CN1CCc2cc(Nc3nc(-c4cc(F)cc(N5CCn6c(cc7c6CCCC7)C5=O)c4CO)cn(C)c3=O)ccc2C1 ZINC000116055152 562829207 /nfs/dbraw/zinc/82/92/07/562829207.db2.gz ANHJHQXCTUZJBH-UHFFFAOYSA-N 0 3 582.680 4.151 1 0 KIAFHN CCN1CCn2nc(Nc3cc(-c4cc(F)cc(N5CCn6c(cc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)cc2C1 ZINC000116055389 562829198 /nfs/dbraw/zinc/82/91/98/562829198.db2.gz BVGNIMKXVZGQGZ-UHFFFAOYSA-N 0 3 599.711 4.046 1 0 KIAFHN CN(C)CCOc1ccc(Nc2cc(-c3cc(F)cc(N4CCn5c(cc6c5CCCC6)C4=O)c3CO)cn(C)c2=O)nc1 ZINC000116056777 562829190 /nfs/dbraw/zinc/82/91/90/562829190.db2.gz SXLJWRCWGZBVSJ-UHFFFAOYSA-N 0 3 600.695 4.103 1 0 KIAFHN Brc1c2nc(N3CCNCC3)[nH]c2c(Br)c(Br)c1Br ZINC000117194458 562829673 /nfs/dbraw/zinc/82/96/73/562829673.db2.gz BESNHDPMZJTODF-UHFFFAOYSA-N 0 3 517.845 4.023 1 0 KIAFHN Cc1nc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1C ZINC000117355047 562829781 /nfs/dbraw/zinc/82/97/81/562829781.db2.gz JORPSRSHZCJODF-VWLOTQADSA-N 0 3 515.079 4.048 1 0 KIAFHN Cc1nc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1C ZINC000117355053 562829763 /nfs/dbraw/zinc/82/97/63/562829763.db2.gz JORPSRSHZCJODF-RUZDIDTESA-N 0 3 515.079 4.048 1 0 KIAFHN CC(C)(O)CN1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1 ZINC000117686126 562829832 /nfs/dbraw/zinc/82/98/32/562829832.db2.gz KRFVMCFDNVZXKA-UHFFFAOYSA-N 0 3 504.614 4.265 1 0 KIAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@H]5CCN(C)C5)ccn43)c12 ZINC000117880207 562829885 /nfs/dbraw/zinc/82/98/85/562829885.db2.gz IOENGKMAHFCZTK-QFIPXVFZSA-N 0 3 509.614 4.333 1 0 KIAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@@H]5CCN(C)C5)ccn43)c12 ZINC000117880215 562829890 /nfs/dbraw/zinc/82/98/90/562829890.db2.gz IOENGKMAHFCZTK-JOCHJYFZSA-N 0 3 509.614 4.333 1 0 KIAFHN CCc1nn(Cc2cccc(O[C@@H]3CCNC[C@H]3F)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000117881533 562829880 /nfs/dbraw/zinc/82/98/80/562829880.db2.gz SCVCVCIZOKLMNU-NTKDMRAZSA-N 0 3 513.577 4.021 1 0 KIAFHN CCn1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CCN(C(C)C)CC4)ccn32)n1 ZINC000117883115 562829887 /nfs/dbraw/zinc/82/98/87/562829887.db2.gz DUPMOGAVEOHSPS-UHFFFAOYSA-N 0 3 595.752 4.483 1 0 KIAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CCN5CCN(C)CC5)ccn43)c12 ZINC000117883430 562829909 /nfs/dbraw/zinc/82/99/09/562829909.db2.gz DOTOQJJAWOWHQF-UHFFFAOYSA-N 0 3 536.684 4.040 1 0 KIAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@@H](OC)C5)ccn43)c12 ZINC000117883661 562829986 /nfs/dbraw/zinc/82/99/86/562829986.db2.gz BTJQRJYJFRQSRK-XMMPIXPASA-N 0 3 553.667 4.350 1 0 KIAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[C@H](OC)C5)ccn43)c12 ZINC000117883665 562829963 /nfs/dbraw/zinc/82/99/63/562829963.db2.gz BTJQRJYJFRQSRK-DEOSSOPVSA-N 0 3 553.667 4.350 1 0 KIAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CCCN5CCN(C)CC5)ccn43)c12 ZINC000117885375 562829996 /nfs/dbraw/zinc/82/99/96/562829996.db2.gz CFVIPSXMZCYEBV-UHFFFAOYSA-N 0 3 550.711 4.430 1 0 KIAFHN CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCCC5)ccn43)c12 ZINC000117891541 562830042 /nfs/dbraw/zinc/83/00/42/562830042.db2.gz DLURWSDCNVGXGS-UHFFFAOYSA-N 0 3 526.645 4.238 1 0 KIAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(CC)CC5)ccn43)c12 ZINC000117892264 562830059 /nfs/dbraw/zinc/83/00/59/562830059.db2.gz BERKCXBJEPTHCW-UHFFFAOYSA-N 0 3 566.710 4.267 1 0 KIAFHN Cn1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CCCC4)ccn32)c1=O ZINC000117893846 562830064 /nfs/dbraw/zinc/83/00/64/562830064.db2.gz LPKSFIGZTYXYFQ-UHFFFAOYSA-N 0 3 551.651 4.035 1 0 KIAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5C[C@H]6CC[C@@H](C5)N6C)ccn43)c12 ZINC000117896276 562830005 /nfs/dbraw/zinc/83/00/05/562830005.db2.gz RZVNZCHZRAAISG-PLQXJYEYSA-N 0 3 578.721 4.408 1 0 KIAFHN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCN(CC)CC5)ccn43)c12 ZINC000117899743 562830085 /nfs/dbraw/zinc/83/00/85/562830085.db2.gz MJHDJRGWGGAQRJ-UHFFFAOYSA-N 0 3 522.657 4.392 1 0 KIAFHN CC(C)N1[C@@H]2CC[C@H]1CN(c1ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc1)C(=O)C2 ZINC000118582885 562830360 /nfs/dbraw/zinc/83/03/60/562830360.db2.gz ZHVBXFKYWPNMKT-GGAORHGYSA-N 0 3 530.677 4.365 1 0 KIAFHN COc1ccc(CCC(=O)N2CCC3(CN([C@@H]4CCc5cc(-c6cc(C)ncn6)ccc54)C3)CC2)c(C(N)=O)c1 ZINC000118885896 562830825 /nfs/dbraw/zinc/83/08/25/562830825.db2.gz DQSTWVNGNJSKPR-GDLZYMKVSA-N 0 3 539.680 4.104 1 0 KIAFHN CCn1nc(CC(=O)N2CCC3(CN([C@@H]4CCc5cc(-c6cc(C)ncn6)ccc54)C3)CC2)c2cccnc21 ZINC000118906354 562830827 /nfs/dbraw/zinc/83/08/27/562830827.db2.gz DWSZMRNLAZPKCF-MUUNZHRXSA-N 0 3 521.669 4.371 1 0 KIAFHN Cc1cn2cc(CC(=O)N3CCC4(CN([C@@H]5CCc6cc(-c7ccc(C(N)=O)nc7)ccc65)C4)CC3)nc2s1 ZINC000118910293 562830789 /nfs/dbraw/zinc/83/07/89/562830789.db2.gz YXWNHDGDJFGTHE-AREMUKBSSA-N 0 3 540.693 4.020 1 0 KIAFHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)C6CCCCC6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000135912583 562831098 /nfs/dbraw/zinc/83/10/98/562831098.db2.gz JGWZRKHVYBWTRR-CMDDEGKBSA-N 0 3 583.858 4.445 1 0 KIAFHN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)/C=C/CN(C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137911443 562831688 /nfs/dbraw/zinc/83/16/88/562831688.db2.gz RBVDARIRGNJNFG-AATRIKPKSA-N 0 3 557.424 4.012 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000138445413 562831861 /nfs/dbraw/zinc/83/18/61/562831861.db2.gz CNUNVUKQXNTVPZ-UHFFFAOYSA-N 0 3 586.571 4.381 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138456835 562831922 /nfs/dbraw/zinc/83/19/22/562831922.db2.gz ZVSUJYVRACIWFZ-UHFFFAOYSA-N 0 3 537.020 4.084 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000138465729 562831906 /nfs/dbraw/zinc/83/19/06/562831906.db2.gz ZFIFPUFUUHMFAU-UHFFFAOYSA-N 0 3 571.009 4.155 1 0 KIAFHN COc1cc(C(=O)NCCN(C)C)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138486361 562831908 /nfs/dbraw/zinc/83/19/08/562831908.db2.gz OVQQDUQZWDFUAO-UHFFFAOYSA-N 0 3 562.524 4.056 1 0 KIAFHN COc1cc(C(=O)NCCN(C)C)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138504499 562832015 /nfs/dbraw/zinc/83/20/15/562832015.db2.gz IBXXCTLKLXYBFZ-UHFFFAOYSA-N 0 3 558.561 4.225 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2N(C)S(C)(=O)=O)n1 ZINC000138518059 562832002 /nfs/dbraw/zinc/83/20/02/562832002.db2.gz VQASYMPGACLNFT-UHFFFAOYSA-N 0 3 608.643 4.260 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2N(C)S(C)(=O)=O)n1 ZINC000138528350 562832006 /nfs/dbraw/zinc/83/20/06/562832006.db2.gz SMJSJTGZUYUEOX-UHFFFAOYSA-N 0 3 626.633 4.399 1 0 KIAFHN COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC3CCCCC3)nc2N)cc1I ZINC000139141269 562832357 /nfs/dbraw/zinc/83/23/57/562832357.db2.gz ROTZZYQXKQYKEN-UHFFFAOYSA-N 0 3 539.418 4.449 1 0 KIAFHN CCC(CC)NCC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1 ZINC000139141535 562832396 /nfs/dbraw/zinc/83/23/96/562832396.db2.gz UUBMKXSMGNTTLX-UHFFFAOYSA-N 0 3 527.407 4.304 1 0 KIAFHN CCOC[C@@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1)C1CCCCC1 ZINC000139277732 562832403 /nfs/dbraw/zinc/83/24/03/562832403.db2.gz YACOWXLDNACKBP-SGIRGMQISA-N 0 3 514.711 4.036 1 0 KIAFHN Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2cccnc2s1 ZINC000139324489 562832418 /nfs/dbraw/zinc/83/24/18/562832418.db2.gz VAGVVMNSGHHXHT-UHFFFAOYSA-N 0 3 530.589 4.132 1 0 KIAFHN CC(C)N(C)Cc1cc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)ccc1F ZINC000139423784 562832448 /nfs/dbraw/zinc/83/24/48/562832448.db2.gz JDNSMGMIXVYTSO-PMACEKPBSA-N 0 3 508.642 4.121 1 0 KIAFHN COc1ccc(CCNCc2cc(-c3ccc4c(n3)nc(N3CCOC[C@@H]3C)nc4N3CCOC[C@@H]3C)ccc2OC)cc1 ZINC000139439795 562832489 /nfs/dbraw/zinc/83/24/89/562832489.db2.gz SRLBZIGHRKUAEX-ZEQRLZLVSA-N 0 3 598.748 4.492 1 0 KIAFHN Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ncccc2s1 ZINC000139592004 562832663 /nfs/dbraw/zinc/83/26/63/562832663.db2.gz KTOBNTQUYIOYAS-UHFFFAOYSA-N 0 3 530.589 4.132 1 0 KIAFHN CN1CCn2nc(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6ccccc6s5)c4)n[nH]c3=O)cc2C1 ZINC000139938674 562832830 /nfs/dbraw/zinc/83/28/30/562832830.db2.gz JVLVRAOLALOEGX-UHFFFAOYSA-N 0 3 515.574 4.429 1 0 KIAFHN COc1cc(-c2nn([C@H]3CC[C@@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NCc1ccccc1 ZINC000140343942 562833041 /nfs/dbraw/zinc/83/30/41/562833041.db2.gz FXQFQTDJCPCULX-RQNOJGIXSA-N 0 3 526.689 4.427 1 0 KIAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(C)CC3)nc12 ZINC000140566340 562833200 /nfs/dbraw/zinc/83/32/00/562833200.db2.gz WZWPMUMDPQTZGW-UHFFFAOYSA-N 0 3 551.577 4.467 1 0 KIAFHN Cc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3CCN2CCCC2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000140621802 562833224 /nfs/dbraw/zinc/83/32/24/562833224.db2.gz XXYQSSDFWBLBOF-UHFFFAOYSA-N 0 3 621.746 4.281 1 0 KIAFHN N[C@H](CO)c1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 ZINC000140648295 562833242 /nfs/dbraw/zinc/83/32/42/562833242.db2.gz ISPBEDINGCMJIK-NFBKMPQASA-N 0 3 540.542 4.057 1 0 KIAFHN COc1cc(-c2nn([C@H]3CC[C@@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)CCc1ccccc1 ZINC000140731883 562833286 /nfs/dbraw/zinc/83/32/86/562833286.db2.gz WGBGLPNMHGTLQS-SOAUALDESA-N 0 3 568.726 4.387 1 0 KIAFHN Cn1cnc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000140765622 562833300 /nfs/dbraw/zinc/83/33/00/562833300.db2.gz YANBZTRCURCIGC-UIOOFZCWSA-N 0 3 529.106 4.168 1 0 KIAFHN Cn1cnc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000140765796 562833293 /nfs/dbraw/zinc/83/32/93/562833293.db2.gz YANBZTRCURCIGC-IZZNHLLZSA-N 0 3 529.106 4.168 1 0 KIAFHN Cn1cnc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000140765977 562833305 /nfs/dbraw/zinc/83/33/05/562833305.db2.gz YANBZTRCURCIGC-FTJBHMTQSA-N 0 3 529.106 4.168 1 0 KIAFHN Cn1cnc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000140766149 562833280 /nfs/dbraw/zinc/83/32/80/562833280.db2.gz YANBZTRCURCIGC-CLJLJLNGSA-N 0 3 529.106 4.168 1 0 KIAFHN CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CNCCO2)s1 ZINC000140974028 562833444 /nfs/dbraw/zinc/83/34/44/562833444.db2.gz VEEBDDVPCWFAEJ-ARSAIXRZSA-N 0 3 527.609 4.153 1 0 KIAFHN CC(C)(C)c1cccc(CN[C@H]2C[S@@](=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 ZINC000141058761 562833436 /nfs/dbraw/zinc/83/34/36/562833436.db2.gz JJZNHUUZTYYRMQ-KYJTYKTMSA-N 0 3 516.601 4.087 1 0 KIAFHN COc1cc(C(=O)NCCN(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000141192362 562833561 /nfs/dbraw/zinc/83/35/61/562833561.db2.gz BMUAKNQPEKIDIX-UHFFFAOYSA-N 0 3 532.048 4.340 1 0 KIAFHN COc1cccc([C@@H]2CN(c3nc(-c4cccnc4)nc4c3CN(C(=O)Nc3ccccc3)CC4)CCN2)c1 ZINC000141856540 562833823 /nfs/dbraw/zinc/83/38/23/562833823.db2.gz HUNMEYPZMVCHFV-MHZLTWQESA-N 0 3 521.625 4.288 1 0 KIAFHN COc1cccc([C@H]2CN(c3nc(-c4cccnc4)nc4c3CN(C(=O)Nc3ccccc3)CC4)CCN2)c1 ZINC000141856753 562833811 /nfs/dbraw/zinc/83/38/11/562833811.db2.gz HUNMEYPZMVCHFV-HHHXNRCGSA-N 0 3 521.625 4.288 1 0 KIAFHN Cc1cc(Nc2cc(N3CCN(CC[NH3+])CC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142032695 562833926 /nfs/dbraw/zinc/83/39/26/562833926.db2.gz BMVADLQFFGSIDJ-WJOKGBTCSA-N 0 3 585.734 4.003 1 0 KIAFHN Cc1cc(Nc2cc(N3CCN(CC[NH3+])CC3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142032881 562833932 /nfs/dbraw/zinc/83/39/32/562833932.db2.gz BMVADLQFFGSIDJ-HKBQPEDESA-N 0 3 585.734 4.003 1 0 KIAFHN Cc1cc(Nc2cc(N3CC[NH2+]CC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142068116 562833916 /nfs/dbraw/zinc/83/39/16/562833916.db2.gz PANGETTYTUWTFZ-GDLZYMKVSA-N 0 3 542.665 4.332 1 0 KIAFHN Cc1cc(Nc2cc(N3CC[NH2+]CC3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142068333 562833919 /nfs/dbraw/zinc/83/39/19/562833919.db2.gz PANGETTYTUWTFZ-LJAQVGFWSA-N 0 3 542.665 4.332 1 0 KIAFHN CC[NH2+][C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142166318 562833969 /nfs/dbraw/zinc/83/39/69/562833969.db2.gz IKUNLQOHBNKFEO-XUZZJYLKSA-N 0 3 537.513 4.335 1 0 KIAFHN CC[NH2+][C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142166533 562833997 /nfs/dbraw/zinc/83/39/97/562833997.db2.gz IKUNLQOHBNKFEO-URXFXBBRSA-N 0 3 537.513 4.335 1 0 KIAFHN CC[NH2+][C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142166737 562833983 /nfs/dbraw/zinc/83/39/83/562833983.db2.gz IKUNLQOHBNKFEO-ZJSXRUAMSA-N 0 3 537.513 4.335 1 0 KIAFHN CC[NH2+][C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142166945 562833967 /nfs/dbraw/zinc/83/39/67/562833967.db2.gz IKUNLQOHBNKFEO-QPPBQGQZSA-N 0 3 537.513 4.335 1 0 KIAFHN CN(c1ccccc1CNc1cccn2nc(Nc3ccc4c(c3)CC[C@@H](N3CCOCC3)CC4)nc12)S(C)(=O)=O ZINC000142860274 562834367 /nfs/dbraw/zinc/83/43/67/562834367.db2.gz DZJALNXETIVWPB-SANMLTNESA-N 0 3 575.739 4.060 1 0 KIAFHN Cc1nc(C)c(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@H]([NH3+])CC3)s1 ZINC000142905780 562834380 /nfs/dbraw/zinc/83/43/80/562834380.db2.gz HTDBTSXFIVYBHE-XZOQPEGZSA-N 0 3 506.093 4.370 1 0 KIAFHN Cc1nc(C)c(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](Cc2cccc(Cl)c2)[C@@H]([NH3+])CC3)s1 ZINC000142905951 562834413 /nfs/dbraw/zinc/83/44/13/562834413.db2.gz HTDBTSXFIVYBHE-GOTSBHOMSA-N 0 3 506.093 4.370 1 0 KIAFHN Cc1nc(C)c(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@H]([NH3+])CC3)s1 ZINC000142906099 562834397 /nfs/dbraw/zinc/83/43/97/562834397.db2.gz HTDBTSXFIVYBHE-DHIUTWEWSA-N 0 3 506.093 4.370 1 0 KIAFHN Cc1nc(C)c(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](Cc2cccc(Cl)c2)[C@@H]([NH3+])CC3)s1 ZINC000142906243 562834395 /nfs/dbraw/zinc/83/43/95/562834395.db2.gz HTDBTSXFIVYBHE-PKTZIBPZSA-N 0 3 506.093 4.370 1 0 KIAFHN Cn1cnc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](Cc2ccccc2Cl)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000142926808 562834383 /nfs/dbraw/zinc/83/43/83/562834383.db2.gz YOKAFKCFHULDCV-AHWVRZQESA-N 0 3 529.106 4.168 1 0 KIAFHN Cn1cnc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@H](Cc2ccccc2Cl)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000142927024 562834402 /nfs/dbraw/zinc/83/44/02/562834402.db2.gz YOKAFKCFHULDCV-AZGAKELHSA-N 0 3 529.106 4.168 1 0 KIAFHN Cn1cnc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](Cc2ccccc2Cl)[C@@H]([NH+]2CCCC2)CC3)c1 ZINC000142927260 562834417 /nfs/dbraw/zinc/83/44/17/562834417.db2.gz YOKAFKCFHULDCV-RSXGOPAZSA-N 0 3 529.106 4.168 1 0 KIAFHN Cn1cnc(S(=O)(=O)[N-]CCOc2ccc3c(c2)[C@@H](Cc2ccccc2Cl)[C@H]([NH+]2CCCC2)CC3)c1 ZINC000142927470 562834415 /nfs/dbraw/zinc/83/44/15/562834415.db2.gz YOKAFKCFHULDCV-AOYPEHQESA-N 0 3 529.106 4.168 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000143032355 562834483 /nfs/dbraw/zinc/83/44/83/562834483.db2.gz RGRKUBYCWFMSQV-UHFFFAOYSA-N 0 3 537.668 4.143 1 0 KIAFHN COc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2 ZINC000143041609 562834551 /nfs/dbraw/zinc/83/45/51/562834551.db2.gz PZIUNIWFXVXPTE-UHFFFAOYSA-N 0 3 553.667 4.228 1 0 KIAFHN COc1cc(C(=O)NCCN2CCCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000143082373 562834604 /nfs/dbraw/zinc/83/46/04/562834604.db2.gz DGSYDYPSGIPFRM-UHFFFAOYSA-N 0 3 523.641 4.221 1 0 KIAFHN COc1cc(C(=O)NC2CCN(CCO)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143085482 562834596 /nfs/dbraw/zinc/83/45/96/562834596.db2.gz LCTZWTBBOYMFFR-UHFFFAOYSA-N 0 3 588.112 4.235 1 0 KIAFHN C=CC(=O)Nc1cc2c(cc1OCCCNCC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000143091260 562834588 /nfs/dbraw/zinc/83/45/88/562834588.db2.gz JCZWCPLKQPNPTP-UHFFFAOYSA-N 0 3 516.371 4.347 1 0 KIAFHN COCCN1CCC(NC(=O)c2cc(OC)c(Nc3ncc4c(n3)-c3c(nn(C)c3C(C)C)CC4)cc2Cl)CC1 ZINC000143091897 562834584 /nfs/dbraw/zinc/83/45/84/562834584.db2.gz VAGFWRKNNGIOGO-UHFFFAOYSA-N 0 3 568.122 4.345 1 0 KIAFHN C[C@@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CCN(CCO)CC4)c3)ncc21 ZINC000143112649 562834623 /nfs/dbraw/zinc/83/46/23/562834623.db2.gz RBKDEMAVXNDVAI-GOSISDBHSA-N 0 3 533.080 4.350 1 0 KIAFHN C[C@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CCN(CCO)CC4)c3)ncc21 ZINC000143112865 562834650 /nfs/dbraw/zinc/83/46/50/562834650.db2.gz RBKDEMAVXNDVAI-SFHVURJKSA-N 0 3 533.080 4.350 1 0 KIAFHN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CN(CC)CC)ncnc2Nc1ccc(Br)cc1F ZINC000143307354 562834895 /nfs/dbraw/zinc/83/48/95/562834895.db2.gz LYDMZKUPEIUXHG-UHFFFAOYSA-N 0 3 559.440 4.236 1 0 KIAFHN CN(C)CCN1CCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143697542 562835249 /nfs/dbraw/zinc/83/52/49/562835249.db2.gz MAAVJMSMOIPAPZ-UHFFFAOYSA-N 0 3 588.968 4.297 1 0 KIAFHN CN1Cc2cc(Nc3ncc4c(=O)n(-c5c(F)cccc5Cl)c5nccn5c4n3)ccc2C2(CC2)C1 ZINC000144010716 562835629 /nfs/dbraw/zinc/83/56/29/562835629.db2.gz YFRNHMAIZOCUPR-UHFFFAOYSA-N 0 3 501.953 4.442 1 0 KIAFHN CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](C(=O)N(CC(C)C)c2cc(OCCCOC)c(C(C)C)cn2)C1 ZINC000144048123 562835701 /nfs/dbraw/zinc/83/57/01/562835701.db2.gz OFDVVNMUUISCAR-JIMJEQGWSA-N 0 3 562.796 4.402 1 0 KIAFHN COC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1ccccc1)N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1 ZINC000144555018 562836395 /nfs/dbraw/zinc/83/63/95/562836395.db2.gz KXIAKGNVMHMZOV-TUSQITKMSA-N 0 3 559.633 4.432 1 0 KIAFHN CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CNC4CC4)ccn3)c2s1 ZINC000144693327 562836600 /nfs/dbraw/zinc/83/66/00/562836600.db2.gz BJXATCGKBNBNMW-UHFFFAOYSA-N 0 3 503.632 4.436 1 0 KIAFHN CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@@](C)(O)C4)ccn3)c2s1 ZINC000144701437 562836611 /nfs/dbraw/zinc/83/66/11/562836611.db2.gz MCUQIJBJHGAQSI-MUUNZHRXSA-N 0 3 547.685 4.141 1 0 KIAFHN CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@](C)(O)C4)ccn3)c2s1 ZINC000144701631 562836627 /nfs/dbraw/zinc/83/66/27/562836627.db2.gz MCUQIJBJHGAQSI-NDEPHWFRSA-N 0 3 547.685 4.141 1 0 KIAFHN CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC[C@@H](OC)C4)ccn3)c2s1 ZINC000144712414 562836641 /nfs/dbraw/zinc/83/66/41/562836641.db2.gz NEAKHHVTXPOTKB-HXUWFJFHSA-N 0 3 547.685 4.405 1 0 KIAFHN O=C(NCC[C@H](O)CO)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]2CC3(CCCC3)CCN21 ZINC000145734757 562837548 /nfs/dbraw/zinc/83/75/48/562837548.db2.gz DXMLPKPFMBVILL-OPMYFTJMSA-N 0 3 590.523 4.373 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145969046 562837842 /nfs/dbraw/zinc/83/78/42/562837842.db2.gz VNVRWEKCTIAARM-UHFFFAOYSA-N 0 3 570.572 4.450 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145984095 562837885 /nfs/dbraw/zinc/83/78/85/562837885.db2.gz QJTDVBJXBLCBMX-UHFFFAOYSA-N 0 3 505.550 4.113 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)CC3)n1 ZINC000145987829 562837888 /nfs/dbraw/zinc/83/78/88/562837888.db2.gz KPRHIWNJSNVWOO-UHFFFAOYSA-N 0 3 584.599 4.492 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146009246 562837975 /nfs/dbraw/zinc/83/79/75/562837975.db2.gz KGTFJJIOJZJXDS-UHFFFAOYSA-N 0 3 555.010 4.223 1 0 KIAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146017523 562837987 /nfs/dbraw/zinc/83/79/87/562837987.db2.gz PQBPFKCRSZZIFU-XXBNENTESA-N 0 3 618.588 4.214 1 0 KIAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2OC)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146036502 562837944 /nfs/dbraw/zinc/83/79/44/562837944.db2.gz ARXYMXQMDAUATJ-XXBNENTESA-N 0 3 601.491 4.362 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146040712 562838032 /nfs/dbraw/zinc/83/80/32/562838032.db2.gz BCDXMZSJDUJYFM-UHFFFAOYSA-N 0 3 551.047 4.393 1 0 KIAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146054833 562838045 /nfs/dbraw/zinc/83/80/45/562838045.db2.gz OVTYXGDIOXFYEE-VNJOCVIMSA-N 0 3 599.063 4.409 1 0 KIAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146057218 562838023 /nfs/dbraw/zinc/83/80/23/562838023.db2.gz OVTYXGDIOXFYEE-VEQVNTQVSA-N 0 3 599.063 4.409 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)CCO3)n1 ZINC000146063321 562838095 /nfs/dbraw/zinc/83/80/95/562838095.db2.gz URLORNKTPAJFSC-UHFFFAOYSA-N 0 3 600.598 4.328 1 0 KIAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2OC)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146064159 562838071 /nfs/dbraw/zinc/83/80/71/562838071.db2.gz YGWCSFGSBXAVGM-YKSBVNFPSA-N 0 3 581.073 4.017 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)CCO3)n1 ZINC000146067345 562838064 /nfs/dbraw/zinc/83/80/64/562838064.db2.gz TVARIGWERRJSBP-UHFFFAOYSA-N 0 3 618.588 4.467 1 0 KIAFHN Cc1cc(C(=O)NC2CCN(CCO)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146069819 562838179 /nfs/dbraw/zinc/83/81/79/562838179.db2.gz YBLVBMZWOVIXOQ-UHFFFAOYSA-N 0 3 584.599 4.112 1 0 KIAFHN COCCN1CCC(NC(=O)c2ccc(Nc3ncc(C(F)(F)F)c(Oc4cccc5c4C(=O)N(C)C5)n3)c(OC)c2)CC1 ZINC000146071550 562838175 /nfs/dbraw/zinc/83/81/75/562838175.db2.gz WXJDTTGYNLEOLX-UHFFFAOYSA-N 0 3 614.625 4.466 1 0 KIAFHN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146081453 562838231 /nfs/dbraw/zinc/83/82/31/562838231.db2.gz PQBPFKCRSZZIFU-WMZHIEFXSA-N 0 3 618.588 4.214 1 0 KIAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146081667 562838219 /nfs/dbraw/zinc/83/82/19/562838219.db2.gz PQBPFKCRSZZIFU-AUSIDOKSSA-N 0 3 618.588 4.214 1 0 KIAFHN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146086319 562838246 /nfs/dbraw/zinc/83/82/46/562838246.db2.gz IDGWFZUSKDDUOU-NZQKXSOJSA-N 0 3 600.598 4.074 1 0 KIAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146086513 562838254 /nfs/dbraw/zinc/83/82/54/562838254.db2.gz IDGWFZUSKDDUOU-NFBKMPQASA-N 0 3 600.598 4.074 1 0 KIAFHN COc1cc(C(=O)N[C@H]2CCN(C)C[C@@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146088375 562838273 /nfs/dbraw/zinc/83/82/73/562838273.db2.gz IDGWFZUSKDDUOU-REWPJTCUSA-N 0 3 600.598 4.074 1 0 KIAFHN COc1cc(C(=O)N[C@H]2CCN(C)C[C@@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146088807 562838276 /nfs/dbraw/zinc/83/82/76/562838276.db2.gz PQBPFKCRSZZIFU-CVDCTZTESA-N 0 3 618.588 4.214 1 0 KIAFHN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@H]2OC)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146089025 562838298 /nfs/dbraw/zinc/83/82/98/562838298.db2.gz UUYWVIHFKSCUJS-HYBUGGRVSA-N 0 3 614.625 4.383 1 0 KIAFHN COc1cc(C(=O)N[C@H]2CCN(C)C[C@@H]2OC)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146094498 562838243 /nfs/dbraw/zinc/83/82/43/562838243.db2.gz UUYWVIHFKSCUJS-RDPSFJRHSA-N 0 3 614.625 4.383 1 0 KIAFHN COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=[NH2+])[N-]C(=O)Cc2cc(OC)c(OC)cc2Br)ccc1F ZINC000146174052 562838311 /nfs/dbraw/zinc/83/83/11/562838311.db2.gz ASRZOKKKEGIGOW-JOCHJYFZSA-N 0 3 607.521 4.452 1 0 KIAFHN COc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(OC)c(OC)cc2Br)ccc1F ZINC000146174052 562838310 /nfs/dbraw/zinc/83/83/10/562838310.db2.gz ASRZOKKKEGIGOW-JOCHJYFZSA-N 0 3 607.521 4.452 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N[C@@H](C)CO3)n1 ZINC000146305472 562838458 /nfs/dbraw/zinc/83/84/58/562838458.db2.gz KTPVVVQWEJBBHK-HNNXBMFYSA-N 0 3 585.036 4.148 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N[C@@H](C)CO3)n1 ZINC000146332313 562838420 /nfs/dbraw/zinc/83/84/20/562838420.db2.gz LTTWVIUNGDIWOA-INIZCTEOSA-N 0 3 567.046 4.009 1 0 KIAFHN O=C(NCC[C@H](O)CO)[C@@H]1N[C@H](CCCc2cccs2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000146802373 562838824 /nfs/dbraw/zinc/83/88/24/562838824.db2.gz JNLYCLSPNIATOJ-FYESPONXSA-N 0 3 606.547 4.391 1 0 KIAFHN CN1[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)NCC[C@H](O)CO ZINC000146862718 562838837 /nfs/dbraw/zinc/83/88/37/562838837.db2.gz YHCMMEGWFITJQH-FKUBJEGUSA-N 0 3 566.501 4.085 1 0 KIAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146918829 562838886 /nfs/dbraw/zinc/83/88/86/562838886.db2.gz FYTJZKFEIICMPU-BGLPIVGWSA-N 0 3 625.594 4.423 1 0 KIAFHN Cc1n[nH]c2ccc(C)c(-c3nc4c(c(N5CC(N(C)C)C5)n3)CN(c3c(Cl)c(C5CC5)nn3C)CC4)c12 ZINC000146947987 562838937 /nfs/dbraw/zinc/83/89/37/562838937.db2.gz PBVMSPQYHRSHAP-UHFFFAOYSA-N 0 3 532.096 4.214 1 0 KIAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@](C)(O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146953107 562838948 /nfs/dbraw/zinc/83/89/48/562838948.db2.gz XYYVDPJBKLNVGV-AZXVBEQTSA-N 0 3 566.501 4.132 1 0 KIAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@@](C)(O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146953881 562838944 /nfs/dbraw/zinc/83/89/44/562838944.db2.gz XYYVDPJBKLNVGV-PUBYHYAISA-N 0 3 566.501 4.132 1 0 KIAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCCNS(C)(=O)=O)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146977529 562838977 /nfs/dbraw/zinc/83/89/77/562838977.db2.gz GVFHKTBGRZEYPI-VJNNQTCJSA-N 0 3 617.546 4.077 1 0 KIAFHN O=C(NCC[C@H](O)CO)[C@@H]1N[C@H](CCCc2ccccc2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147058963 562839070 /nfs/dbraw/zinc/83/90/70/562839070.db2.gz BCFRJDRPMVPRNN-IMYDKJEWSA-N 0 3 600.518 4.329 1 0 KIAFHN CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CC[C@@H](N4CCOCC4)CC5)nc23)cc1 ZINC000147139942 562839185 /nfs/dbraw/zinc/83/91/85/562839185.db2.gz QHFHNVUOAPKMLZ-DEOSSOPVSA-N 0 3 517.655 4.123 1 0 KIAFHN CC(=O)N1CC(NC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000147188556 562839205 /nfs/dbraw/zinc/83/92/05/562839205.db2.gz PMMNFMGFQYSRTE-WZRJCJTJSA-N 0 3 561.485 4.230 1 0 KIAFHN O=C(NCC[C@H](O)CO)[C@@H]1N[C@H](CCC2CCCC2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147189411 562839166 /nfs/dbraw/zinc/83/91/66/562839166.db2.gz JPKUIMNTNGMQIA-SYRIZIHISA-N 0 3 578.512 4.277 1 0 KIAFHN O=C(NCC[C@H](O)CO)[C@@H]1N[C@H](CCc2cccs2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147214335 562839163 /nfs/dbraw/zinc/83/91/63/562839163.db2.gz WHKHDURMIVZMPI-USJLZIQHSA-N 0 3 592.520 4.000 1 0 KIAFHN O=C(NCC[C@H](O)CO)[C@@H]1N[C@H](CCc2ccsc2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147396167 562839354 /nfs/dbraw/zinc/83/93/54/562839354.db2.gz IGJHQFKCBJZQPJ-DTWKNNLDSA-N 0 3 592.520 4.000 1 0 KIAFHN CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)CNC(C)C)c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000147753974 562839599 /nfs/dbraw/zinc/83/95/99/562839599.db2.gz WFGPNPPEBDSDHE-VSGBNLITSA-N 0 3 515.720 4.115 1 0 KIAFHN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2c(N)nc(N3CCCN(C)CC3)nc12 ZINC000148026386 562839890 /nfs/dbraw/zinc/83/98/90/562839890.db2.gz NALRQCQSBBYLNC-UHFFFAOYSA-N 0 3 551.577 4.467 1 0 KIAFHN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2c(N)nc(NCCN(C)C)nc12 ZINC000148027542 562839903 /nfs/dbraw/zinc/83/99/03/562839903.db2.gz PVJMGTUFKQOSAM-UHFFFAOYSA-N 0 3 525.539 4.299 1 0 KIAFHN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CCCN(C)CC5)nc34)c2)cc1C(F)(F)F ZINC000148032717 562839887 /nfs/dbraw/zinc/83/98/87/562839887.db2.gz TYJKXMPMGJOQBN-UHFFFAOYSA-N 0 3 581.603 4.476 1 0 KIAFHN CN1CCCN(c2nc(N)c3ncnc(Nc4cccc(C(=O)Nc5cccc(C(F)(F)F)c5)c4)c3n2)CC1 ZINC000148033457 562839894 /nfs/dbraw/zinc/83/98/94/562839894.db2.gz ZPNQAUPDKXYHGY-UHFFFAOYSA-N 0 3 537.550 4.159 1 0 KIAFHN CN1CCC(N2CCN(c3nc(N)c4ncnc(Nc5cccc(C(=O)Nc6cccc(C(F)(F)F)c6)c5)c4n3)CC2)CC1 ZINC000148033711 562839869 /nfs/dbraw/zinc/83/98/69/562839869.db2.gz PPDKFEACXBXRDD-UHFFFAOYSA-N 0 3 606.657 4.233 1 0 KIAFHN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(C)CC3)nc12 ZINC000148037561 562839932 /nfs/dbraw/zinc/83/99/32/562839932.db2.gz YJXPLOMWXBIDTM-UHFFFAOYSA-N 0 3 567.576 4.167 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCN(CC(C)C)CC3)nc12 ZINC000148039079 562839969 /nfs/dbraw/zinc/83/99/69/562839969.db2.gz MTOBBBSBAIMSEW-UHFFFAOYSA-N 0 3 557.707 4.105 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CCCC4)CC3)nc12 ZINC000148040346 562839964 /nfs/dbraw/zinc/83/99/64/562839964.db2.gz GMHNPPDAMBRFBF-UHFFFAOYSA-N 0 3 569.718 4.392 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCOCC3)nc12 ZINC000148052210 562840014 /nfs/dbraw/zinc/84/00/14/562840014.db2.gz NMYSCWOHCXUYGY-UHFFFAOYSA-N 0 3 624.672 4.160 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N(C)C)nc12 ZINC000148052643 562840042 /nfs/dbraw/zinc/84/00/42/562840042.db2.gz VBCDPMOMYGRUSL-UHFFFAOYSA-N 0 3 582.635 4.389 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2c(N)nc(N3CCN(CC(C)C)CC3)nc12 ZINC000148053770 562840022 /nfs/dbraw/zinc/84/00/22/562840022.db2.gz CLHNHNGHFXFOMN-UHFFFAOYSA-N 0 3 571.734 4.115 1 0 KIAFHN COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148067453 562840087 /nfs/dbraw/zinc/84/00/87/562840087.db2.gz FYRHHTMHYJOKMY-UHFFFAOYSA-N 0 3 570.576 4.450 1 0 KIAFHN COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCN(C)C)nc21 ZINC000148070545 562840117 /nfs/dbraw/zinc/84/01/17/562840117.db2.gz SQCHJPSHHVMPSH-UHFFFAOYSA-N 0 3 556.549 4.425 1 0 KIAFHN CN1CCCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4Cl)c3n2)CC1 ZINC000148084771 562840176 /nfs/dbraw/zinc/84/01/76/562840176.db2.gz TZCXPYLFGYVSHZ-UHFFFAOYSA-N 0 3 536.040 4.497 1 0 KIAFHN CN(C)CCNc1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3Cl)c2n1 ZINC000148087497 562840201 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562840465 /nfs/dbraw/zinc/84/04/65/562840465.db2.gz RMNKWUHKDVTAKY-UHFFFAOYSA-N 0 3 636.805 4.442 1 0 KIAFHN Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148192108 562840512 /nfs/dbraw/zinc/84/05/12/562840512.db2.gz XKUGBJROVOYFQX-UHFFFAOYSA-N 0 3 538.578 4.418 1 0 KIAFHN Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148206352 562840567 /nfs/dbraw/zinc/84/05/67/562840567.db2.gz GSUULQFEBCUOSN-UHFFFAOYSA-N 0 3 538.578 4.418 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000148228913 562840597 /nfs/dbraw/zinc/84/05/97/562840597.db2.gz UKKUNCKIHZCLBC-UHFFFAOYSA-N 0 3 525.539 4.136 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CCCN(C)CC3)nc21 ZINC000148231803 562840657 /nfs/dbraw/zinc/84/06/57/562840657.db2.gz SAPHDFWTICZZQM-UHFFFAOYSA-N 0 3 537.550 4.280 1 0 KIAFHN CN(CCN1CCCC1)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3F)c2n1 ZINC000148241344 562840684 /nfs/dbraw/zinc/84/06/84/562840684.db2.gz NYQCPCXVBWHOGJ-UHFFFAOYSA-N 0 3 533.612 4.372 1 0 KIAFHN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCNCC3)nc21 ZINC000148250334 562840737 /nfs/dbraw/zinc/84/07/37/562840737.db2.gz AMAWUBIRLFBJGS-UHFFFAOYSA-N 0 3 508.508 4.153 1 0 KIAFHN CCN(CC)Cc1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000148250499 562840721 /nfs/dbraw/zinc/84/07/21/562840721.db2.gz OIQYRLUWZRXJAA-JPYJTQIMSA-N 0 3 561.033 4.463 1 0 KIAFHN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCNCC4)nc32)c1 ZINC000148251929 562840718 /nfs/dbraw/zinc/84/07/18/562840718.db2.gz PJWUCORCBHDDOE-UHFFFAOYSA-N 0 3 526.645 4.440 1 0 KIAFHN CN(C)[C@@H]1CCN(c2ncc3ncnc(Nc4cc(Cl)cc(C(=O)Nc5cc(C(C)(C)C)nn5C)c4)c3n2)C1 ZINC000148268498 562840793 /nfs/dbraw/zinc/84/07/93/562840793.db2.gz DLLCCHOXTWTQLQ-LJQANCHMSA-N 0 3 549.083 4.240 1 0 KIAFHN CN(C)[C@H]1CCN(c2ncc3ncnc(Nc4cc(Cl)cc(C(=O)Nc5cc(C(C)(C)C)nn5C)c4)c3n2)C1 ZINC000148268722 562840809 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/nfs/dbraw/zinc/84/10/08/562841008.db2.gz ADRPPWOUBRIZBQ-UHFFFAOYSA-N 0 3 584.729 4.226 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3C[C@@H](C)N[C@@H](C)C3)nc21 ZINC000148324588 562841028 /nfs/dbraw/zinc/84/10/28/562841028.db2.gz ZOYHJDCACPKWOE-CALCHBBNSA-N 0 3 515.622 4.196 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(N3CCN[C@H](C)C3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148342970 562841083 /nfs/dbraw/zinc/84/10/83/562841083.db2.gz JVICUKFEGCOHPF-LJQANCHMSA-N 0 3 607.641 4.378 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2ccccc2C(N)=O)n1 ZINC000148439167 562841277 /nfs/dbraw/zinc/84/12/77/562841277.db2.gz COKNZFCMRLOBKO-UHFFFAOYSA-N 0 3 562.524 4.102 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccnc2)n1 ZINC000148440050 562841305 /nfs/dbraw/zinc/84/13/05/562841305.db2.gz OCVUQJYMWBJZKZ-UHFFFAOYSA-N 0 3 502.497 4.259 1 0 KIAFHN CNC(=O)Cc1ccccc1Oc1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)cc2OC)ncc1C(F)(F)F ZINC000148441989 562841323 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/nfs/dbraw/zinc/84/13/68/562841368.db2.gz CWNDKJMGQYZDSD-UHFFFAOYSA-N 0 3 586.615 4.495 1 0 KIAFHN CNC(=O)Cc1ccc(Oc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2C(F)(F)F)cc1 ZINC000148451085 562841345 /nfs/dbraw/zinc/84/13/45/562841345.db2.gz JOVMQFWWDBPTEZ-UHFFFAOYSA-N 0 3 572.588 4.152 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2ccc(CC(=O)N(C)C)cc2)n1 ZINC000148451478 562841370 /nfs/dbraw/zinc/84/13/70/562841370.db2.gz TXQUZXDNTODHTK-UHFFFAOYSA-N 0 3 586.615 4.495 1 0 KIAFHN CNC(=O)c1ccc(Oc2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2C(F)(F)F)cc1 ZINC000148451927 562841360 /nfs/dbraw/zinc/84/13/60/562841360.db2.gz ZDIROXJFYRFOPY-UHFFFAOYSA-N 0 3 558.561 4.224 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC(=O)N3)n1 ZINC000148456284 562841354 /nfs/dbraw/zinc/84/13/54/562841354.db2.gz BLQXQWSECXNKGL-UHFFFAOYSA-N 0 3 556.545 4.359 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CC(=O)N3)n1 ZINC000148456712 562841332 /nfs/dbraw/zinc/84/13/32/562841332.db2.gz GGXOWWDEHUXEQZ-UHFFFAOYSA-N 0 3 574.535 4.498 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@@H]2CCCCO2)n1 ZINC000148462445 562841398 /nfs/dbraw/zinc/84/13/98/562841398.db2.gz YKOSIMCZGRDDSR-SFHVURJKSA-N 0 3 523.556 4.020 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OC[C@H]2CCCCO2)n1 ZINC000148462660 562841409 /nfs/dbraw/zinc/84/14/09/562841409.db2.gz YKOSIMCZGRDDSR-GOSISDBHSA-N 0 3 523.556 4.020 1 0 KIAFHN COc1cc(C(=O)NCCN(C)C)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2N(C)C(=O)CC3)n1 ZINC000148465851 562841435 /nfs/dbraw/zinc/84/14/35/562841435.db2.gz NSXCAPODZSJXHU-UHFFFAOYSA-N 0 3 558.561 4.240 1 0 KIAFHN COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CS(=O)(=O)[N-]3)n1 ZINC000148466663 562841417 /nfs/dbraw/zinc/84/14/17/562841417.db2.gz LYLMKOCCIJLDCM-UHFFFAOYSA-N 0 3 592.600 4.119 1 0 KIAFHN COc1cc(C(=O)NC2CC[NH+](C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2CS(=O)(=O)[N-]3)n1 ZINC000148468154 562841421 /nfs/dbraw/zinc/84/14/21/562841421.db2.gz DETYLJYZESWNOJ-UHFFFAOYSA-N 0 3 610.590 4.258 1 0 KIAFHN C[C@H]1CN(CC2CCCC2)CCN1C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3F)n[nH]c2C1(C)C ZINC000149122220 562842145 /nfs/dbraw/zinc/84/21/45/562842145.db2.gz OVDFANHQQBTECZ-INIZCTEOSA-N 0 3 500.594 4.307 1 0 KIAFHN C=Cc1c(C)c2c(nc1CNC13CCC(CCc4c(F)cnc5ccc(OC)nc54)(CC1)OC3)NC(=O)CO2 ZINC000149139333 562842183 /nfs/dbraw/zinc/84/21/83/562842183.db2.gz JSEMNTBLXZENFJ-UHFFFAOYSA-N 0 3 533.604 4.259 1 0 KIAFHN COc1ccccc1Cc1nc2cc(-c3nn([C@H]4CC[C@@H](N5CCN(C(=O)N(C)C)CC5)CC4)c4ncnc(N)c34)ccc2[nH]1 ZINC000149170088 562842328 /nfs/dbraw/zinc/84/23/28/562842328.db2.gz FHQQNAHMJMQUKJ-RQNOJGIXSA-N 0 3 608.751 4.334 1 0 KIAFHN COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@@H](N5CCN(C(=O)N(C)C)CC5)CC4)c4ncnc(N)c34)cc2[nH]1 ZINC000149170088 562842327 /nfs/dbraw/zinc/84/23/27/562842327.db2.gz FHQQNAHMJMQUKJ-RQNOJGIXSA-N 0 3 608.751 4.334 1 0 KIAFHN C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1S(C)(=O)=O ZINC000149176223 562842403 /nfs/dbraw/zinc/84/24/03/562842403.db2.gz QVRUMXAVDBYHBP-LHVNUXSJSA-N 0 3 518.561 4.067 1 0 KIAFHN C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1S(C)(=O)=O ZINC000149184764 562842420 /nfs/dbraw/zinc/84/24/20/562842420.db2.gz QVRUMXAVDBYHBP-BGJGWITESA-N 0 3 518.561 4.067 1 0 KIAFHN C[C@H]1c2[nH]nc(NC(=O)c3ccccc3F)c2CN1C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000149300423 562842569 /nfs/dbraw/zinc/84/25/69/562842569.db2.gz ZYRDVSKKDYZDTE-JBACZVJFSA-N 0 3 502.594 4.189 1 0 KIAFHN C[C@@H]1c2[nH]nc(NC(=O)c3ccccc3F)c2CN1C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 ZINC000149300634 562842535 /nfs/dbraw/zinc/84/25/35/562842535.db2.gz ZYRDVSKKDYZDTE-GIVPXCGWSA-N 0 3 502.594 4.189 1 0 KIAFHN COCCS(=O)(=O)[C@@H]1[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1C ZINC000149305190 562842600 /nfs/dbraw/zinc/84/26/00/562842600.db2.gz QOBRNBJEEWVJLW-PSTLZIQHSA-N 0 3 562.614 4.084 1 0 KIAFHN c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccn5)CC4)nc4cc5c(cc43)OCO5)CC2)cc1 ZINC000149487126 562842690 /nfs/dbraw/zinc/84/26/90/562842690.db2.gz DHOSTFATOMPGGA-UHFFFAOYSA-N 0 3 523.641 4.157 1 0 KIAFHN COc1cc(C(C)C)c(Oc2cnc(NC(=O)[C@H](N)[C@H](C)C(C)C)nc2N)cc1I ZINC000150261645 562843046 /nfs/dbraw/zinc/84/30/46/562843046.db2.gz ZYRBJWRYTKEUEN-KZULUSFZSA-N 0 3 527.407 4.146 1 0 KIAFHN [O-][n+]1ccc(-c2n[nH]c(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)n2)cc1 ZINC000150371763 562843370 /nfs/dbraw/zinc/84/33/70/562843370.db2.gz XKNUKLOVNSZOQW-UHFFFAOYSA-N 0 3 668.806 4.271 1 0 KIAFHN CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCn3nc(C(=O)N[C@@H]4C[C@H]5CCC[C@@H](C4)N5C)c4ccccc43)c(=O)oc2c1 ZINC000150590990 562846187 /nfs/dbraw/zinc/84/61/87/562846187.db2.gz QSIGSEDSPXQCKE-CXAYTTCISA-N 0 3 672.827 4.197 1 0 KIAFHN CN(C)CC1(O)CN(c2ncccc2C(=O)Nc2ccc(C(=O)N3CCc4cc(C(=O)NC5CC5)sc4-c4ccccc43)cc2)C1 ZINC000150598946 562846932 /nfs/dbraw/zinc/84/69/32/562846932.db2.gz BCQDJTPIRLOBKR-UHFFFAOYSA-N 0 3 636.778 4.270 1 0 KIAFHN CCN1CCN(c2nc(NCCCCOc3nc(Nc4ccccc4)nc(N4CCN(CC)CC4)n3)nc(Nc3ccccc3)n2)CC1 ZINC000150600194 562847109 /nfs/dbraw/zinc/84/71/09/562847109.db2.gz QEBGTHOKONNAFW-UHFFFAOYSA-N 0 3 653.840 4.099 1 0 KIAFHN [NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c([O-])c(Br)c1)NC(=O)N1CCC(n2c(=O)oc3ccccc32)CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000161807123 562849222 /nfs/dbraw/zinc/84/92/22/562849222.db2.gz PWPMKDORTALZSG-XZWHSSHBSA-N 0 3 856.617 4.141 1 0 KIAFHN COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C4CCN(C)CC4)CC3)nc12 ZINC000165255492 562849956 /nfs/dbraw/zinc/84/99/56/562849956.db2.gz UXFSNZOSHVHSBS-UHFFFAOYSA-N 0 3 636.683 4.242 1 0 KIAFHN Cc1ccc(C(=O)Nc2cc(N(C)CCN(C)C)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCS(=O)CC3)nc21 ZINC000165265007 562849964 /nfs/dbraw/zinc/84/99/64/562849964.db2.gz CQSWCZOOBRTJGW-UHFFFAOYSA-N 0 3 641.724 4.309 1 0 KIAFHN Cc1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1Nc1ncnc2cnc(N3CCN(CCN(C)C)CC3)nc21 ZINC000165283059 562850098 /nfs/dbraw/zinc/85/00/98/562850098.db2.gz DHYHHSHJIVRBAZ-UHFFFAOYSA-N 0 3 641.630 4.365 1 0 KIAFHN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCCN(C)CC3)nc12 ZINC000166141452 562850327 /nfs/dbraw/zinc/85/03/27/562850327.db2.gz GSSQCSUHBDGJBV-UHFFFAOYSA-N 0 3 551.577 4.467 1 0 KIAFHN Cc1ccc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCN(C)C)nc21 ZINC000166184972 562850371 /nfs/dbraw/zinc/85/03/71/562850371.db2.gz OOPIZRSEVSTBRB-UHFFFAOYSA-N 0 3 622.700 4.493 1 0 KIAFHN Cc1nc2nc(-c3ccc(CN4CCC(n5ncc6c5ncnc6N)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000167039433 562850621 /nfs/dbraw/zinc/85/06/21/562850621.db2.gz NYQZVVRJQDPIAJ-UHFFFAOYSA-N 0 3 516.613 4.326 1 0 KIAFHN CNc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000167270429 562850702 /nfs/dbraw/zinc/85/07/02/562850702.db2.gz ZHBUOHSDTGDPDK-UHFFFAOYSA-N 0 3 514.597 4.280 1 0 KIAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5cccnc5)n4)c3)sc2C1 ZINC000167962742 562851174 /nfs/dbraw/zinc/85/11/74/562851174.db2.gz IEZRMRUVKSRCGD-IBGZPJMESA-N 0 3 518.668 4.263 1 0 KIAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5ccncc5)n4)c3)sc2C1 ZINC000167966735 562851168 /nfs/dbraw/zinc/85/11/68/562851168.db2.gz ACLUMWATGYNLJZ-IBGZPJMESA-N 0 3 518.668 4.263 1 0 KIAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)sc2C1 ZINC000167967215 562851178 /nfs/dbraw/zinc/85/11/78/562851178.db2.gz AGAUQMZZBQFDGW-KRWDZBQOSA-N 0 3 507.641 4.461 1 0 KIAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cn[nH]c5)s4)c3)sc2C1 ZINC000167967329 562851162 /nfs/dbraw/zinc/85/11/62/562851162.db2.gz ZGXQFGCYOMTNMA-SFHVURJKSA-N 0 3 506.657 4.196 1 0 KIAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1 ZINC000167967577 562851181 /nfs/dbraw/zinc/85/11/81/562851181.db2.gz BSJXCUQJTFWJOP-NRFANRHFSA-N 0 3 501.612 4.399 1 0 KIAFHN O=C(NCC[C@H](F)CN1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168452694 562851404 /nfs/dbraw/zinc/85/14/04/562851404.db2.gz AVNRAGBHTIJHNX-AOIWZFSPSA-N 0 3 504.444 4.156 1 0 KIAFHN O=C(NCC[C@@H](F)CN1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168452789 562851409 /nfs/dbraw/zinc/85/14/09/562851409.db2.gz AVNRAGBHTIJHNX-MIUGBVLSSA-N 0 3 504.444 4.156 1 0 KIAFHN CCC1=C[C@@H]2CN(C1)CCc1c3ccccc3[nH]c1[C@@](C(N)=O)(c1cc3c(cc1OC)N(C)[C@H]1[C@]34CCN3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169295633 562852407 /nfs/dbraw/zinc/85/24/07/562852407.db2.gz MVSJGAXWYHBIQV-SULIYOFUSA-N 0 3 777.963 4.108 1 0 KIAFHN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6N)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CS2 ZINC000169297788 562852608 /nfs/dbraw/zinc/85/26/08/562852608.db2.gz LGLNTTKZFLJZGB-FZESGHCESA-N 0 3 591.855 4.221 1 0 KIAFHN COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCN3CCOCC3)c2)n1 ZINC000169310613 562854858 /nfs/dbraw/zinc/85/48/58/562854858.db2.gz BBGCUUIMCGYMNQ-UHFFFAOYSA-N 0 3 582.105 4.087 1 0 KIAFHN COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCN3CCN(C)CC3)c2)n1 ZINC000169310614 562854907 /nfs/dbraw/zinc/85/49/07/562854907.db2.gz ILYBFMOXMXGGJH-UHFFFAOYSA-N 0 3 595.148 4.002 1 0 KIAFHN CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321171 562856561 /nfs/dbraw/zinc/85/65/61/562856561.db2.gz MHBMMRBEHJHMCL-CHQNGUEUSA-N 0 3 579.701 4.131 1 0 KIAFHN CSCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321183 562856610 /nfs/dbraw/zinc/85/66/10/562856610.db2.gz JHLUXWNYQJLION-NAYUSWPISA-N 0 3 611.768 4.228 1 0 KIAFHN CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](O)[C@H](CC1CCCCC1)N(C(C)=O)C(C)(C)C)C(C)C)C(=O)NCc1ccccn1 ZINC000169325688 562857662 /nfs/dbraw/zinc/85/76/62/562857662.db2.gz KUSBLNPECIZWKY-LTUSVDMXSA-N 0 3 587.850 4.190 1 0 KIAFHN COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@@H]5CCCCO5)C4)c(=O)c3n2)c1 ZINC000169329329 562858479 /nfs/dbraw/zinc/85/84/79/562858479.db2.gz DXSXKWAMIQXRGJ-DHLKQENFSA-N 0 3 528.657 4.242 1 0 KIAFHN COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCCO5)C4)c(=O)c3n2)c1 ZINC000169329330 562858522 /nfs/dbraw/zinc/85/85/22/562858522.db2.gz DXSXKWAMIQXRGJ-WIOPSUGQSA-N 0 3 528.657 4.242 1 0 KIAFHN CCO[C@@H](C)CN1CCC[C@H](Cn2c(=O)c3nn(-c4cccc(OC)c4)cc3nc2-c2cccnc2C)C1 ZINC000169329331 562858513 /nfs/dbraw/zinc/85/85/13/562858513.db2.gz WGFAFEDEEUGGOE-UNMCSNQZSA-N 0 3 516.646 4.098 1 0 KIAFHN CCO[C@H](C)CN1CCC[C@H](Cn2c(=O)c3nn(-c4cccc(OC)c4)cc3nc2-c2cccnc2C)C1 ZINC000169329332 562858476 /nfs/dbraw/zinc/85/84/76/562858476.db2.gz WGFAFEDEEUGGOE-IRLDBZIGSA-N 0 3 516.646 4.098 1 0 KIAFHN CCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCCN(C[C@H]5CCCO5)C4)c(=O)c3n2)c1 ZINC000169331025 562858847 /nfs/dbraw/zinc/85/88/47/562858847.db2.gz SDDYPSFGXCNMIG-WIOPSUGQSA-N 0 3 528.657 4.242 1 0 KIAFHN Cc1ncccc1-c1nc2cn(-c3cccc(OC(F)F)c3)nc2c(=O)n1C[C@H]1CCCN(C[C@H]2CCCO2)C1 ZINC000169331032 562858885 /nfs/dbraw/zinc/85/88/85/562858885.db2.gz PBFIXCPNDGGMRZ-NZQKXSOJSA-N 0 3 550.610 4.445 1 0 KIAFHN CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](C)CN(CC(=O)N(C)C)CC3)ncc1Cl ZINC000169345231 562861560 /nfs/dbraw/zinc/86/15/60/562861560.db2.gz XYJHFAIWNWCPJD-KRWDZBQOSA-N 0 3 522.053 4.027 1 0 KIAFHN CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@H](C)CN(CC(=O)N(C)C)CC3)ncc1Cl ZINC000169345232 562861572 /nfs/dbraw/zinc/86/15/72/562861572.db2.gz XYJHFAIWNWCPJD-QGZVFWFLSA-N 0 3 522.053 4.027 1 0 KIAFHN O=C(CCOCCc1cccc(Cl)c1)N(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)CCN1CCCCC1 ZINC000169346900 562861870 /nfs/dbraw/zinc/86/18/70/562861870.db2.gz AYZITMUOLMTNQG-UHFFFAOYSA-N 0 3 575.175 4.045 1 0 KIAFHN CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348467 562862241 /nfs/dbraw/zinc/86/22/41/562862241.db2.gz FDWNMYHUGREUKN-PMERELPUSA-N 0 3 627.786 4.135 1 0 KIAFHN CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348468 562862237 /nfs/dbraw/zinc/86/22/37/562862237.db2.gz CJBAZCHPDVZFFP-HKBQPEDESA-N 0 3 641.813 4.396 1 0 KIAFHN COC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C1CC1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169348501 562862315 /nfs/dbraw/zinc/86/23/15/562862315.db2.gz RCJHGDOWYNVUCZ-HKBQPEDESA-N 0 3 626.754 4.187 1 0 KIAFHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@]1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000169352794 562863185 /nfs/dbraw/zinc/86/31/85/562863185.db2.gz AKNZJQAXCIWKJT-ARPOTICCSA-N 0 3 628.770 4.433 1 0 KIAFHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@]1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)C1 ZINC000169352795 562863217 /nfs/dbraw/zinc/86/32/17/562863217.db2.gz AKNZJQAXCIWKJT-RYWJPUDZSA-N 0 3 628.770 4.433 1 0 KIAFHN CCCCNC(=O)C1(N(Cc2ccccc2)C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC000169352798 562863207 /nfs/dbraw/zinc/86/32/07/562863207.db2.gz PYCOLNRYYZTFRF-NDEPHWFRSA-N 0 3 608.780 4.423 1 0 KIAFHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC000169352800 562863229 /nfs/dbraw/zinc/86/32/29/562863229.db2.gz RWCLEAIJEDRYCH-MHZLTWQESA-N 0 3 608.780 4.421 1 0 KIAFHN CC[C@@H](C)N(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169352809 562863210 /nfs/dbraw/zinc/86/32/10/562863210.db2.gz NBQMFWHFIOSNBC-NAKRPHOHSA-N 0 3 608.780 4.421 1 0 KIAFHN CC[C@H](C)N(C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000169352810 562863191 /nfs/dbraw/zinc/86/31/91/562863191.db2.gz NBQMFWHFIOSNBC-LSYYVWMOSA-N 0 3 608.780 4.421 1 0 KIAFHN CC(C)[C@H](N)C(=O)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)[C@@H](N)C(C)C)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698164 562866944 /nfs/dbraw/zinc/86/69/44/562866944.db2.gz JYUNJVCQDWQLLI-ZDIDPRFDSA-N 0 3 750.948 4.453 1 0 KIAFHN CN(C)Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1 ZINC000169698291 562867131 /nfs/dbraw/zinc/86/71/31/562867131.db2.gz CEKZRHMYGHDKMI-UHFFFAOYSA-N 0 3 549.726 4.379 1 0 KIAFHN CN(C)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698304 562867122 /nfs/dbraw/zinc/86/71/22/562867122.db2.gz ADLNEDAOVQOWHK-UHFFFAOYSA-N 0 3 543.697 4.318 1 0 KIAFHN N=C(CCCCc1nnc(NC(=O)Cc2cccc(OCCCO)c2)s1)CCC(=N)NC(=O)Cc1ccccc1 ZINC000169698437 562867254 /nfs/dbraw/zinc/86/72/54/562867254.db2.gz SHAVQGFTLLLILM-UHFFFAOYSA-N 0 3 564.712 4.329 1 0 KIAFHN C[C@@H](NS(C)(=O)=O)c1cccc(CC(=O)NC(=N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000169698653 562867418 /nfs/dbraw/zinc/86/74/18/562867418.db2.gz XGYLWGANBWYYTC-HXUWFJFHSA-N 0 3 611.794 4.178 1 0 KIAFHN CC1(C)N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12 ZINC000169700233 562867639 /nfs/dbraw/zinc/86/76/39/562867639.db2.gz OWIHIJVRYXBFOS-KMTOBGAYSA-N 0 3 520.432 4.276 1 0 KIAFHN O=C(NC1CCC(O)CC1)[C@@H]1NC2(CCOCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700241 562867660 /nfs/dbraw/zinc/86/76/60/562867660.db2.gz PIRIGUPRWKOENE-IOOCNGBKSA-N 0 3 562.469 4.047 1 0 KIAFHN O=C(NC1CCC(O)CC1)[C@@H]1NC2(CCOCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700242 562867628 /nfs/dbraw/zinc/86/76/28/562867628.db2.gz PIRIGUPRWKOENE-NVCNRFTOSA-N 0 3 562.469 4.047 1 0 KIAFHN CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cn[nH]c5)c4)c3)sc2C1 ZINC000169701489 562868048 /nfs/dbraw/zinc/86/80/48/562868048.db2.gz OIBJPIDSCRFVOF-QFIPXVFZSA-N 0 3 500.628 4.134 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C1CCCC1)CC2 ZINC000169702163 562868234 /nfs/dbraw/zinc/86/82/34/562868234.db2.gz NNLNEHJLLUQHIP-UHFFFAOYSA-N 0 3 515.662 4.210 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@@H](OC)c1ccccc1)CC2 ZINC000169702168 562868201 /nfs/dbraw/zinc/86/82/01/562868201.db2.gz HEYUZYVFHGHMFO-PMERELPUSA-N 0 3 567.694 4.288 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1[C@H](OC)c1ccccc1)CC2 ZINC000169702169 562868203 /nfs/dbraw/zinc/86/82/03/562868203.db2.gz HEYUZYVFHGHMFO-SSEXGKCCSA-N 0 3 567.694 4.288 1 0 KIAFHN COc1ccccc1Cc1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2 ZINC000169702174 562868227 /nfs/dbraw/zinc/86/82/27/562868227.db2.gz WXNZVLAGYCFVNA-UHFFFAOYSA-N 0 3 567.694 4.151 1 0 KIAFHN COc1ccc(Cc2c3c(nn2C)CCc2cnc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4OC)nc2-3)cc1 ZINC000169702180 562868212 /nfs/dbraw/zinc/86/82/12/562868212.db2.gz KMLOWJBZXPYPFE-UHFFFAOYSA-N 0 3 567.694 4.151 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1occc1C)CC2 ZINC000169702209 562868286 /nfs/dbraw/zinc/86/82/86/562868286.db2.gz HKWWUZGMNXZSCA-UHFFFAOYSA-N 0 3 527.629 4.120 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1CCc1ccccc1)CC2 ZINC000169702233 562868300 /nfs/dbraw/zinc/86/83/00/562868300.db2.gz FTJZHJMIWZNDEI-UHFFFAOYSA-N 0 3 551.695 4.337 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 ZINC000169702251 562868250 /nfs/dbraw/zinc/86/82/50/562868250.db2.gz JPULRMNUPRFQST-UHFFFAOYSA-N 0 3 523.641 4.219 1 0 KIAFHN COCCN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)c(OC)c2)CC1 ZINC000169702370 562868349 /nfs/dbraw/zinc/86/83/49/562868349.db2.gz OSRMHPBBJLKSMT-UHFFFAOYSA-N 0 3 567.694 4.236 1 0 KIAFHN COCCN1CCC(NC(=O)c2cc(OC)c(Nc3ncc4c(n3)-c3c(nn(C)c3C(C)C)CC4)cc2C)CC1 ZINC000169702427 562868359 /nfs/dbraw/zinc/86/83/59/562868359.db2.gz MZLNYOIEXWOIAJ-UHFFFAOYSA-N 0 3 547.704 4.000 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)CC2 ZINC000169702428 562868382 /nfs/dbraw/zinc/86/83/82/562868382.db2.gz NVGKSXSAOROSMK-UHFFFAOYSA-N 0 3 524.069 4.329 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)C[C@@H]2C ZINC000169702479 562868429 /nfs/dbraw/zinc/86/84/29/562868429.db2.gz HXPOBHRYONCJEL-KRWDZBQOSA-N 0 3 503.651 4.236 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C(C)C)C[C@H]2C ZINC000169702480 562868436 /nfs/dbraw/zinc/86/84/36/562868436.db2.gz HXPOBHRYONCJEL-QGZVFWFLSA-N 0 3 503.651 4.236 1 0 KIAFHN COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccsc1)CC2 ZINC000169702483 562868442 /nfs/dbraw/zinc/86/84/42/562868442.db2.gz ZOPXNCVTYPLHHQ-UHFFFAOYSA-N 0 3 529.670 4.280 1 0 KIAFHN CN[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)[C@@H](c1ccccc1)[C@@H]1C=CC=CC1 ZINC000169702514 562868433 /nfs/dbraw/zinc/86/84/33/562868433.db2.gz CQVSXHCBXXGHAE-IYHNDKLCSA-N 0 3 582.811 4.067 1 0 KIAFHN CN[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)[C@H](c1ccccc1)[C@@H]1C=CC=CC1 ZINC000169702515 562868444 /nfs/dbraw/zinc/86/84/44/562868444.db2.gz CQVSXHCBXXGHAE-DNXYURMGSA-N 0 3 582.811 4.067 1 0 KIAFHN CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCN(C(=O)CN)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703494 562868803 /nfs/dbraw/zinc/86/88/03/562868803.db2.gz YSRMLAQSSRGSMM-UHFFFAOYSA-N 0 3 562.678 4.220 1 0 KIAFHN CC1(CNc2nc(-c3cc(NC4CCC(NC5CS(=O)(=O)C5)CC4)ncc3Cl)ccc2F)CCOCC1 ZINC000169703850 562868880 /nfs/dbraw/zinc/86/88/80/562868880.db2.gz KPTVNAYFQMTYFR-UHFFFAOYSA-N 0 3 552.116 4.274 1 0 KIAFHN COCCOc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)C[C@@H](O)O4)CC2)ccc1Br ZINC000169703927 562868857 /nfs/dbraw/zinc/86/88/57/562868857.db2.gz QVPKMBDEMNWGPO-SANMLTNESA-N 0 3 518.448 4.255 1 0 KIAFHN COCCOc1cc(CC2CCN(CCc3ccc4c(c3)C(=O)C[C@H](O)O4)CC2)ccc1Br ZINC000169703928 562868872 /nfs/dbraw/zinc/86/88/72/562868872.db2.gz QVPKMBDEMNWGPO-AREMUKBSSA-N 0 3 518.448 4.255 1 0 KIAFHN CCc1nn(Cc2cccc(O[C@H]3CCNC[C@H]3F)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000169706555 562869882 /nfs/dbraw/zinc/86/98/82/562869882.db2.gz SCVCVCIZOKLMNU-DVECYGJZSA-N 0 3 513.577 4.021 1 0 KIAFHN CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C(C)C)CC5)ccn43)c12 ZINC000169706570 562869872 /nfs/dbraw/zinc/86/98/72/562869872.db2.gz OAIHCGHCJBYTAV-UHFFFAOYSA-N 0 3 583.741 4.168 1 0 KIAFHN CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(OC5CCN(C)CC5)ccn43)c12 ZINC000169706572 562869897 /nfs/dbraw/zinc/86/98/97/562869897.db2.gz SNVCSOILDYSSCA-UHFFFAOYSA-N 0 3 526.645 4.236 1 0 KIAFHN CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncc(OC)c3)c3nc(N(C)C4CCN(C)CC4)cnc32)c1F ZINC000169709988 562870500 /nfs/dbraw/zinc/87/05/00/562870500.db2.gz IIABPOATXMCFIP-UHFFFAOYSA-N 0 3 585.681 4.451 1 0 KIAFHN CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncc(OC)c3)c3nc(N(C)C4CCN(C)CC4)ncc32)c1F ZINC000169709993 562870494 /nfs/dbraw/zinc/87/04/94/562870494.db2.gz OGYLFLLUTHXQGA-UHFFFAOYSA-N 0 3 585.681 4.451 1 0 KIAFHN CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CCN(CC)CC4)ncc32)c1F ZINC000169709996 562870511 /nfs/dbraw/zinc/87/05/11/562870511.db2.gz DZKPRXZJIJDQLW-UHFFFAOYSA-N 0 3 570.670 4.228 1 0 KIAFHN CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CCN(C5CC5)CC4)ncc32)c1F ZINC000169709997 562870487 /nfs/dbraw/zinc/87/04/87/562870487.db2.gz ORMCSYVTCMPLGE-UHFFFAOYSA-N 0 3 582.681 4.370 1 0 KIAFHN Cc1cc(CN2CCCC[C@@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711360 562870877 /nfs/dbraw/zinc/87/08/77/562870877.db2.gz RGDNWCIHGZTXBD-HSZRJFAPSA-N 0 3 540.458 4.123 1 0 KIAFHN Cc1cc(CN2CCC[C@@H]2C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)nc1=O ZINC000169711427 562870886 /nfs/dbraw/zinc/87/08/86/562870886.db2.gz VHGRNBLSDFAHJO-SFHVURJKSA-N 0 3 511.420 4.155 1 0 KIAFHN Cc1cc(CN2CCC[C@H]2C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)nc1=O ZINC000169711428 562870938 /nfs/dbraw/zinc/87/09/38/562870938.db2.gz VHGRNBLSDFAHJO-GOSISDBHSA-N 0 3 511.420 4.155 1 0 KIAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OC)cc21 ZINC000169711490 562870918 /nfs/dbraw/zinc/87/09/18/562870918.db2.gz KFXUCOOECZYUHK-UHFFFAOYSA-N 0 3 543.624 4.449 1 0 KIAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)c(OC)cc21 ZINC000169711499 562870944 /nfs/dbraw/zinc/87/09/44/562870944.db2.gz QYFNNVCEZUSTNO-UHFFFAOYSA-N 0 3 529.597 4.234 1 0 KIAFHN CCN1CCN(CCc2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1 ZINC000169711501 562870966 /nfs/dbraw/zinc/87/09/66/562870966.db2.gz BCEJUOHPDRUZSJ-UHFFFAOYSA-N 0 3 556.667 4.457 1 0 KIAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(OCCN5CCC(O)CC5)cc4)c3)c(OC)cc21 ZINC000169711502 562870973 /nfs/dbraw/zinc/87/09/73/562870973.db2.gz LIUISSXPAAHMSN-UHFFFAOYSA-N 0 3 559.623 4.113 1 0 KIAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(OC5CCN(CCO)CC5)cc4)c3)c(OC)cc21 ZINC000169711504 562870952 /nfs/dbraw/zinc/87/09/52/562870952.db2.gz SJLSJJYGOLGXMP-UHFFFAOYSA-N 0 3 559.623 4.113 1 0 KIAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21 ZINC000169711512 562870979 /nfs/dbraw/zinc/87/09/79/562870979.db2.gz IBHOLSBDZMIPPT-UHFFFAOYSA-N 0 3 587.677 4.465 1 0 KIAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC[C@@H]5CO)cc4)c3)c(OC)cc21 ZINC000169711536 562871014 /nfs/dbraw/zinc/87/10/14/562871014.db2.gz REKOTEBQHDEUHB-JOCHJYFZSA-N 0 3 529.597 4.234 1 0 KIAFHN CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC[C@H]5CO)cc4)c3)c(OC)cc21 ZINC000169711537 562871033 /nfs/dbraw/zinc/87/10/33/562871033.db2.gz REKOTEBQHDEUHB-QFIPXVFZSA-N 0 3 529.597 4.234 1 0 KIAFHN 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COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCN3CCN(C)CC3)O5)ccc2OC)c1 ZINC000299863638 562893876 /nfs/dbraw/zinc/89/38/76/562893876.db2.gz PKOLOOFCTFPFCC-LJAQVGFWSA-N 0 3 612.683 4.457 1 0 KIAFHN CN(CCNCc1cn(Cc2ccc(Br)cc2)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299864448 562894117 /nfs/dbraw/zinc/89/41/17/562894117.db2.gz RGNXSVZVIIMGKH-UHFFFAOYSA-N 0 3 528.886 4.424 1 0 KIAFHN CN1CCN(CCCCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1 ZINC000299864521 562894151 /nfs/dbraw/zinc/89/41/51/562894151.db2.gz RQBZZEDXQSBJPJ-UHFFFAOYSA-N 0 3 546.647 4.341 1 0 KIAFHN CC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1N ZINC000299864699 562894198 /nfs/dbraw/zinc/89/41/98/562894198.db2.gz RXOGKCBIUZQTIE-LSYYVWMOSA-N 0 3 541.652 4.147 1 0 KIAFHN O=C(CC1(N2CCOCC2)CCCCC1)Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1 ZINC000299866756 562894722 /nfs/dbraw/zinc/89/47/22/562894722.db2.gz WRAAWGXBFIGQKT-UHFFFAOYSA-N 0 3 503.647 4.430 1 0 KIAFHN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1 ZINC000299870027 562895392 /nfs/dbraw/zinc/89/53/92/562895392.db2.gz VSTRNYWGJFOSRR-PMERELPUSA-N 0 3 510.682 4.475 1 0 KIAFHN COC(=O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1cc(Br)c(Br)s1)[C@@H]23 ZINC000299871894 562895795 /nfs/dbraw/zinc/89/57/95/562895795.db2.gz ZJRKRNBJCNOYDP-ABEUPQFOSA-N 0 3 582.380 4.256 1 0 KIAFHN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2O[C@@H]2OC[C@@H](OC)[C@H](OC)[C@H]2OCCCCCCN2CCN(CCO)CC2)COC1=O ZINC000473086058 562897008 /nfs/dbraw/zinc/89/70/08/562897008.db2.gz GQFNBDOTWMZMJN-MTZNQXOKSA-N 0 3 752.858 4.244 1 0 KIAFHN CC[C@@H]1C(=O)N(C(C)C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 ZINC000473090017 562897449 /nfs/dbraw/zinc/89/74/49/562897449.db2.gz UIVFXESKAIRNPQ-XMMPIXPASA-N 0 3 549.720 4.335 1 0 KIAFHN CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(F)c(C3CCN(C)CC3)cc2OC2CC2)ncc1Cl ZINC000473095980 562897860 /nfs/dbraw/zinc/89/78/60/562897860.db2.gz YAQXMGUVJWQEBR-UHFFFAOYSA-N 0 3 578.114 4.444 1 0 KIAFHN C[NH+](C)CCCNC(=O)c1csc2nc(-c3ccc(NC(=O)N=c4cc(C(C)(C)C)o[n-]4)cc3)cn12 ZINC000473115879 562899089 /nfs/dbraw/zinc/89/90/89/562899089.db2.gz VBYMFAOTZHNONG-UHFFFAOYSA-N 0 3 509.636 4.096 1 0 KIAFHN Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CCc2ccccc2)c(C)c1 ZINC000473122182 562899475 /nfs/dbraw/zinc/89/94/75/562899475.db2.gz RIFXTQBBKROZDY-SVBPBHIXSA-N 0 3 541.614 4.320 1 0 KIAFHN COCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)/C=C/CN(C)C ZINC000473124713 562899624 /nfs/dbraw/zinc/89/96/24/562899624.db2.gz OILOIHUEWGRDJX-SNAWJCMRSA-N 0 3 518.387 4.357 1 0 KIAFHN CCN([C@H]1CCN([C@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cnccn1 ZINC000473124793 562899662 /nfs/dbraw/zinc/89/96/62/562899662.db2.gz XDQSDBOCBATCPK-KNQAVFIVSA-N 0 3 569.732 4.269 1 0 KIAFHN CCN([C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cnccn1 ZINC000473124797 562899669 /nfs/dbraw/zinc/89/96/69/562899669.db2.gz XDQSDBOCBATCPK-UGKGYDQZSA-N 0 3 569.732 4.269 1 0 KIAFHN COc1ccc(C(=O)OCCN(C)C)cc1NC(=O)Nc1cc(-c2cncnc2)ccc1OC(F)(F)F ZINC000473146709 562901363 /nfs/dbraw/zinc/90/13/63/562901363.db2.gz CUEIYPPKIZVBFR-UHFFFAOYSA-N 0 3 519.480 4.413 1 0 KIAFHN CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(CC3Cc4ccccc4C3)ccc21 ZINC000473151890 562901707 /nfs/dbraw/zinc/90/17/07/562901707.db2.gz SDHVKIPCPNNVQK-XZWHSSHBSA-N 0 3 511.666 4.450 1 0 KIAFHN NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCCC[C@@H]2CO)cc1 ZINC000473164952 562902818 /nfs/dbraw/zinc/90/28/18/562902818.db2.gz GQJNHJAUDJTLRY-HSZRJFAPSA-N 0 3 515.639 4.160 1 0 KIAFHN NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCCC[C@H]2CO)cc1 ZINC000473164953 562902835 /nfs/dbraw/zinc/90/28/35/562902835.db2.gz GQJNHJAUDJTLRY-QHCPKHFHSA-N 0 3 515.639 4.160 1 0 KIAFHN NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(c5nc6ccc(Cl)cc6[nH]5)CC4)c3c2)cc1 ZINC000473165488 562902996 /nfs/dbraw/zinc/90/29/96/562902996.db2.gz CQZKMSJQDJBXSU-UHFFFAOYSA-N 0 3 579.082 4.246 1 0 KIAFHN NS(=O)(=O)c1ccc(Oc2cnc3ccc(=O)n(CCN4CCC(c5nc6cc(Cl)ccc6[nH]5)CC4)c3c2)cc1 ZINC000473165488 562902995 /nfs/dbraw/zinc/90/29/95/562902995.db2.gz CQZKMSJQDJBXSU-UHFFFAOYSA-N 0 3 579.082 4.246 1 0 KIAFHN COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3n2)cc(Cl)c1[O-] ZINC000473213146 562903844 /nfs/dbraw/zinc/90/38/44/562903844.db2.gz AAIDWUHMUZVSCG-JCNLHEQBSA-N 0 3 519.067 4.022 1 0 KIAFHN COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(OCC[NH+](C)C)nc4)c3n2)cc(Cl)c1[O-] ZINC000473213492 562903851 /nfs/dbraw/zinc/90/38/51/562903851.db2.gz OFXPODQSPOUHEV-UHFFFAOYSA-N 0 3 507.978 4.368 1 0 KIAFHN CC(C)CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000473214336 562903928 /nfs/dbraw/zinc/90/39/28/562903928.db2.gz BDWPNDHQTXTDID-QISNEAOYSA-N 0 3 596.090 4.393 1 0 KIAFHN CCC[C@H](O)[C@H](NC[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473224160 562904178 /nfs/dbraw/zinc/90/41/78/562904178.db2.gz PHXSVGGLTIKXSW-JNDDGGAYSA-N 0 3 630.830 4.113 1 0 KIAFHN CCC[C@H](O)[C@H](NC[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473224161 562904173 /nfs/dbraw/zinc/90/41/73/562904173.db2.gz PHXSVGGLTIKXSW-JWUBDSCHSA-N 0 3 630.830 4.113 1 0 KIAFHN CCC[C@H](O)[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473224162 562904199 /nfs/dbraw/zinc/90/41/99/562904199.db2.gz PHXSVGGLTIKXSW-NQBDWGITSA-N 0 3 630.830 4.113 1 0 KIAFHN CCC[C@H](O)[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473224163 562904169 /nfs/dbraw/zinc/90/41/69/562904169.db2.gz PHXSVGGLTIKXSW-VZUYLZFRSA-N 0 3 630.830 4.113 1 0 KIAFHN CCC[C@H](O)[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N(C)[C@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473233244 562904495 /nfs/dbraw/zinc/90/44/95/562904495.db2.gz SIJHZXLBPULCJF-GWOIGVCTSA-N 0 3 644.857 4.422 1 0 KIAFHN CCC[C@H](O)[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473233246 562904525 /nfs/dbraw/zinc/90/45/25/562904525.db2.gz SIJHZXLBPULCJF-KIWNAKGSSA-N 0 3 644.857 4.422 1 0 KIAFHN CCC[C@H](O)[C@H](NC[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473233247 562904504 /nfs/dbraw/zinc/90/45/04/562904504.db2.gz SIJHZXLBPULCJF-WURFPMSDSA-N 0 3 644.857 4.422 1 0 KIAFHN CCC[C@H](O)[C@H](NC[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N(C)[C@H](C)c2ccccc2)c1)C(=O)NCC(C)C ZINC000473233248 562904538 /nfs/dbraw/zinc/90/45/38/562904538.db2.gz SIJHZXLBPULCJF-YFLIQRBPSA-N 0 3 644.857 4.422 1 0 KIAFHN CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@H](NS(C)(=O)=O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000473236499 562904633 /nfs/dbraw/zinc/90/46/33/562904633.db2.gz NDYCCWGAHKMHEY-KLHMAWPQSA-N 0 3 611.567 4.079 1 0 KIAFHN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000474608956 562905478 /nfs/dbraw/zinc/90/54/78/562905478.db2.gz NDHNYYRLBSTZNM-AREMUKBSSA-N 0 3 500.565 4.391 1 0 KIAFHN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000474608959 562905509 /nfs/dbraw/zinc/90/55/09/562905509.db2.gz NDHNYYRLBSTZNM-SANMLTNESA-N 0 3 500.565 4.391 1 0 KIAFHN Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2 ZINC000653693459 562906854 /nfs/dbraw/zinc/90/68/54/562906854.db2.gz UUHHPKDLEFNZAP-UHFFFAOYSA-N 0 3 518.662 4.190 1 0 KIAFHN COc1cc(CN2CCN(CCCCCC(=O)N3Cc4cnn(C)c4Nc4ccccc43)CC2)cc(OC)c1 ZINC000653696824 562907002 /nfs/dbraw/zinc/90/70/02/562907002.db2.gz FWHCOVUYSHAHBM-UHFFFAOYSA-N 0 3 532.689 4.406 1 0 KIAFHN COc1ccc(OCc2cn(-c3ccc(CCN4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1 ZINC000653720677 562908728 /nfs/dbraw/zinc/90/87/28/562908728.db2.gz SNFZPIVSMVRTCI-UHFFFAOYSA-N 0 3 500.599 4.473 1 0 KIAFHN COc1ccc(S(=O)(=O)NCC(C)(C)c2cccc3ccc(Br)cc32)cc1N1CCNCC1 ZINC000653724736 562908969 /nfs/dbraw/zinc/90/89/69/562908969.db2.gz HSEURCVTQKHGMM-UHFFFAOYSA-N 0 3 532.504 4.277 1 0 KIAFHN COc1ccc(S(=O)(=O)NCC2(c3cccc4ccc(Br)cc43)CC2)cc1N1CCNCC1 ZINC000653727862 562909238 /nfs/dbraw/zinc/90/92/38/562909238.db2.gz BAGMCZLXWXOPIX-UHFFFAOYSA-N 0 3 530.488 4.031 1 0 KIAFHN CNC(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(C3CCN(C)CC3)cc2OC2CC2)ncc1Cl ZINC000653735516 562909611 /nfs/dbraw/zinc/90/96/11/562909611.db2.gz ZZTQQSYGKKAYBJ-UHFFFAOYSA-N 0 3 525.057 4.369 1 0 KIAFHN Cc1ncoc1-c1nnc(SCCCN2C[C@H]3CCN(c4ccccc4OC(F)(F)F)[C@H]3C2)n1C ZINC000653737559 562909804 /nfs/dbraw/zinc/90/98/04/562909804.db2.gz ZFACTJHKUXTZMC-AEFFLSMTSA-N 0 3 508.570 4.370 1 0 KIAFHN Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3CCN(c4ccccc4OC(F)(F)F)[C@@H]3C2)n1C ZINC000653737562 562909819 /nfs/dbraw/zinc/90/98/19/562909819.db2.gz ZFACTJHKUXTZMC-FUHWJXTLSA-N 0 3 508.570 4.370 1 0 KIAFHN Cc1ncoc1-c1nnc(SCCCN2C[C@H]3CCN(c4ccccc4OC(F)(F)F)[C@@H]3C2)n1C ZINC000653737563 562909812 /nfs/dbraw/zinc/90/98/12/562909812.db2.gz ZFACTJHKUXTZMC-SJLPKXTDSA-N 0 3 508.570 4.370 1 0 KIAFHN Cc1ncoc1-c1nnc(SCCCN2C[C@H]3[C@@H](CCN3c3ccccc3OC(F)(F)F)C2)n1C ZINC000653737567 562909815 /nfs/dbraw/zinc/90/98/15/562909815.db2.gz ZFACTJHKUXTZMC-WMZOPIPTSA-N 0 3 508.570 4.370 1 0 KIAFHN Cn1c(SCCCN2C[C@H]3CCN(c4c(F)cccc4C(F)(F)F)[C@H]3C2)nnc1-c1cnccn1 ZINC000653738965 562909976 /nfs/dbraw/zinc/90/99/76/562909976.db2.gz CTPVTXDLFFRQAD-BEFAXECRSA-N 0 3 507.561 4.123 1 0 KIAFHN Cn1c(SCCCN2C[C@H]3CCN(c4c(F)cccc4C(F)(F)F)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653738966 562909957 /nfs/dbraw/zinc/90/99/57/562909957.db2.gz CTPVTXDLFFRQAD-DNVCBOLYSA-N 0 3 507.561 4.123 1 0 KIAFHN Cn1c(SCCCN2C[C@@H]3CCN(c4c(F)cccc4C(F)(F)F)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653738967 562909993 /nfs/dbraw/zinc/90/99/93/562909993.db2.gz CTPVTXDLFFRQAD-HNAYVOBHSA-N 0 3 507.561 4.123 1 0 KIAFHN Cn1c(SCCCN2C[C@H]3[C@@H](CCN3c3c(F)cccc3C(F)(F)F)C2)nnc1-c1cnccn1 ZINC000653738968 562909962 /nfs/dbraw/zinc/90/99/62/562909962.db2.gz CTPVTXDLFFRQAD-KXBFYZLASA-N 0 3 507.561 4.123 1 0 KIAFHN Cn1c(SCCCN2C[C@H]3CCN(c4ccc(F)cc4C(F)(F)F)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653739050 562909952 /nfs/dbraw/zinc/90/99/52/562909952.db2.gz NNIDXNUKZKKKGS-FOIQADDNSA-N 0 3 507.561 4.123 1 0 KIAFHN Cn1c(SCCCN2C[C@@H]3CCN(c4ccc(F)cc4C(F)(F)F)[C@@H]3C2)nnc1-c1cnccn1 ZINC000653739051 562909933 /nfs/dbraw/zinc/90/99/33/562909933.db2.gz NNIDXNUKZKKKGS-MGPUTAFESA-N 0 3 507.561 4.123 1 0 KIAFHN Cn1c(SCCCN2C[C@H]3CCN(c4ccc(F)cc4C(F)(F)F)[C@H]3C2)nnc1-c1cnccn1 ZINC000653739052 562909927 /nfs/dbraw/zinc/90/99/27/562909927.db2.gz NNIDXNUKZKKKGS-QRWLVFNGSA-N 0 3 507.561 4.123 1 0 KIAFHN Cn1c(SCCCN2C[C@H]3[C@@H](CCN3c3ccc(F)cc3C(F)(F)F)C2)nnc1-c1cnccn1 ZINC000653739054 562909915 /nfs/dbraw/zinc/90/99/15/562909915.db2.gz NNIDXNUKZKKKGS-YWZLYKJASA-N 0 3 507.561 4.123 1 0 KIAFHN COc1ccc(CN2CCc3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000653746639 562910442 /nfs/dbraw/zinc/91/04/42/562910442.db2.gz IKHYYXXLNJDIRP-NTLGIGPWSA-N 0 3 567.682 4.025 1 0 KIAFHN 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SUIRGUIARHZIGI-UHFFFAOYSA-N 0 3 597.535 4.422 1 0 KIAFHN N[C@H](C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1)[C@@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000653833316 562914623 /nfs/dbraw/zinc/91/46/23/562914623.db2.gz AOQCYGJNZZJEEH-ZKBLBJRCSA-N 0 3 639.597 4.175 1 0 KIAFHN CCCCn1c2nc3n(c2c(=O)n(CCCC)c1=O)CCCN3c1ccc(OCCN2CCCCC2)cc1 ZINC000653835436 562914683 /nfs/dbraw/zinc/91/46/83/562914683.db2.gz DJMAOAZZXABOFN-UHFFFAOYSA-N 0 3 522.694 4.366 1 0 KIAFHN CN(C)C1(C(=O)Nc2cccc(CN3CCCCC3)c2)CCN(c2ncnc3[nH]c4c(c32)CCCC4)CC1 ZINC000653841674 562914911 /nfs/dbraw/zinc/91/49/11/562914911.db2.gz VUFXATHBRBCDNJ-UHFFFAOYSA-N 0 3 515.706 4.362 1 0 KIAFHN COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN(C(C)C)CC5)ccc43)n[nH]2)cc(OC)c1 ZINC000653843494 562915001 /nfs/dbraw/zinc/91/50/01/562915001.db2.gz IHAJBNBGASGRPK-UHFFFAOYSA-N 0 3 501.635 4.429 1 0 KIAFHN Cc1ccccc1Oc1cccc(N2CCCCC2)c1CNC(=N)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653843509 562915013 /nfs/dbraw/zinc/91/50/13/562915013.db2.gz 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562704074 /nfs/dbraw/zinc/70/40/74/562704074.db2.gz FYIHDXUZGQBQSQ-QYWGDWMGSA-N 0 3 508.541 4.131 3 0 KIAFHN COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000061959762 562704367 /nfs/dbraw/zinc/70/43/67/562704367.db2.gz VKMUSYHIOCDVTO-IFOBJOEFSA-N 0 3 517.409 4.352 3 0 KIAFHN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC1=O ZINC000066123362 562712460 /nfs/dbraw/zinc/71/24/60/562712460.db2.gz VKOMSRGQYVAYGT-KGTVSZMUSA-N 0 3 644.813 4.421 3 0 KIAFHN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000066129594 562713011 /nfs/dbraw/zinc/71/30/11/562713011.db2.gz AZLHPJSVCZJLQY-NPKFRGRUSA-N 0 3 574.678 4.340 3 0 KIAFHN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066139197 562713463 /nfs/dbraw/zinc/71/34/63/562713463.db2.gz HHDPPBRLILUJJD-SXDGJLEOSA-N 0 3 515.654 4.220 3 0 KIAFHN 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CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000095566554 562765108 /nfs/dbraw/zinc/76/51/08/562765108.db2.gz DXHMKCJPHALTEQ-ZYADHFCISA-N 0 3 699.937 4.393 3 0 KIAFHN CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)CN3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095566778 562765233 /nfs/dbraw/zinc/76/52/33/562765233.db2.gz LRGKDUOVPOIAFU-BQYLNSIHSA-N 0 3 737.942 4.064 3 0 KIAFHN CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C(=O)C1=O ZINC000095566809 562765325 /nfs/dbraw/zinc/76/53/25/562765325.db2.gz AQSYZSOGZAZFDA-BBACVFHCSA-N 0 3 685.910 4.003 3 0 KIAFHN COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)CCC[NH+](C)C)OCCCC[C@H](C)O3)cc1 ZINC000095567061 562765457 /nfs/dbraw/zinc/76/54/57/562765457.db2.gz QCLYTDNFGCCWFB-XJVVAVADSA-N 0 3 690.904 4.092 3 0 KIAFHN 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