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@@H+](CC2CC2)CC[C@]314 ZINC000001486538 561676051 /nfs/dbraw/zinc/67/60/51/561676051.db2.gz LZSMGMMAKBCSRL-WDJVXPEUSA-N 1 1 519.041 4.319 1 0 in-vivo KIAFMO Cc1c2c(nn1C)-c1c(C)cc(C)nc1S(=O)(=O)N2CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001659246 561678971 /nfs/dbraw/zinc/67/89/71/561678971.db2.gz RAGFHWVKKAJBLT-UHFFFAOYSA-N 1 1 548.635 4.147 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[N@@H+](C)Cc3ccccn3)c2=O)c1 ZINC000003818817 561683134 /nfs/dbraw/zinc/68/31/34/561683134.db2.gz ACHAWAOSLYJAMP-LJQANCHMSA-N 1 1 520.580 4.236 1 0 KIAFMO COCC[N@@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccccn1)c(=O)n2Cc1c(F)cccc1F ZINC000003841597 561683815 /nfs/dbraw/zinc/68/38/15/561683815.db2.gz GAQYSUJKGLPTKB-UHFFFAOYSA-N 1 1 636.681 4.364 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[NH2+]Cc3nccs3)c2=O)c1F ZINC000003842302 561683881 /nfs/dbraw/zinc/68/38/81/561683881.db2.gz SHSXQSNMXRKMPX-OAHLLOKOSA-N 1 1 530.572 4.094 1 0 KIAFMO Cc1nc(-c2cccc(C(=O)NC3CCC(CC[N@H+]4CCc5ccc(S(C)(=O)=O)cc5CC4)CC3)c2)no1 ZINC000003925700 581093281 /nfs/dbraw/zinc/09/32/81/581093281.db2.gz ZHQUFEJLPBTKSM-UHFFFAOYSA-N 1 1 536.698 4.228 1 0 KIAFMO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003929878 561687257 /nfs/dbraw/zinc/68/72/57/561687257.db2.gz ZXCLCEUUOMEPJU-XPZFQKCBSA-N 1 1 571.809 4.063 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000003930425 561687227 /nfs/dbraw/zinc/68/72/27/561687227.db2.gz ZAAHWJMMDZYDIP-HRLYYARCSA-N 1 1 575.794 4.166 1 0 KIAFMO Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003935707 561688433 /nfs/dbraw/zinc/68/84/33/561688433.db2.gz XPOHMRPODUVLPC-GQSOHLTDSA-N 1 1 535.729 4.198 1 0 KIAFMO CC(C)CCc1nc(-c2ccc(OCCC[N@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000003964454 561691369 /nfs/dbraw/zinc/69/13/69/561691369.db2.gz HUEYSTDACLDSKX-OAQYLSRUSA-N 1 1 555.651 4.179 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O ZINC000003982389 561692613 /nfs/dbraw/zinc/69/26/13/561692613.db2.gz QJMAYXGAURCBTD-GIKUREFASA-N 1 1 733.976 4.040 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)S(C)(=O)=O ZINC000003982389 561692611 /nfs/dbraw/zinc/69/26/11/561692611.db2.gz QJMAYXGAURCBTD-GIKUREFASA-N 1 1 733.976 4.040 1 0 KIAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@@H+](CCS(=O)(=O)N2CCCC2)C1 ZINC000003987461 561693066 /nfs/dbraw/zinc/69/30/66/561693066.db2.gz RAVNZMCDLGQATP-IZLXSDGUSA-N 1 1 635.753 4.070 1 0 KIAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](CCS(=O)(=O)N2CCCC2)C1 ZINC000003987461 561693064 /nfs/dbraw/zinc/69/30/64/561693064.db2.gz RAVNZMCDLGQATP-IZLXSDGUSA-N 1 1 635.753 4.070 1 0 KIAFMO O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c32)[C@@H]2Oc3c5c(ccc3O)C[C@H]3[N@H+](CC6CC6)CC[C@]52[C@@]3(O)C4)cc1C=O ZINC000003994906 561693671 /nfs/dbraw/zinc/69/36/71/561693671.db2.gz QWQJCNFKUGDCGU-TXDOIKDBSA-N 1 1 589.648 4.450 1 0 KIAFMO CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[C@@H](c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O ZINC000004098480 560195772 /nfs/dbraw/zinc/19/57/72/560195772.db2.gz GVFKEVFAPIUOAI-ONQAJXPKSA-N 1 1 568.718 4.096 1 0 in-vitro KIAFMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000005273726 561695657 /nfs/dbraw/zinc/69/56/57/561695657.db2.gz QEVHRUUCFGRFIF-KWTXYEQSSA-N 1 1 608.688 4.171 1 0 KIAFMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000005273726 561695655 /nfs/dbraw/zinc/69/56/55/561695655.db2.gz QEVHRUUCFGRFIF-KWTXYEQSSA-N 1 1 608.688 4.171 1 0 KIAFMO COc1cc([C@H]2c3cc4c(cc3[C@@H]([NH2+]C3CCN(Cc5ccccc5)CC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000005842091 561699305 /nfs/dbraw/zinc/69/93/05/561699305.db2.gz GQMFUALQPLOONU-CTZUUEIXSA-N 1 1 572.658 4.368 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)c2cc(Cc3c4cc(Cl)ccc4[nH]c3C(=O)N(C)C)oc2c1OC ZINC000006718778 561703228 /nfs/dbraw/zinc/70/32/28/561703228.db2.gz ASSNCSVJAZEMQG-UHFFFAOYSA-N 1 1 535.004 4.423 1 0 KIAFMO COC(=O)[C@H]1[C@@H](OC)[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)C[C@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@@H]3C[C@@H]21 ZINC000008035039 561704305 /nfs/dbraw/zinc/70/43/05/561704305.db2.gz QEVHRUUCFGRFIF-NFFMWYQYSA-N 1 1 608.688 4.171 1 0 KIAFMO COC(=O)[C@H]1[C@@H](OC)[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)C[C@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@@H]3C[C@@H]21 ZINC000008035039 561704303 /nfs/dbraw/zinc/70/43/03/561704303.db2.gz QEVHRUUCFGRFIF-NFFMWYQYSA-N 1 1 608.688 4.171 1 0 KIAFMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000011615764 553339375 /nfs/dbraw/zinc/33/93/75/553339375.db2.gz QEVHRUUCFGRFIF-UVINULQHSA-N 1 1 608.688 4.171 1 0 KIAFMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000011615764 553339372 /nfs/dbraw/zinc/33/93/72/553339372.db2.gz QEVHRUUCFGRFIF-UVINULQHSA-N 1 1 608.688 4.171 1 0 KIAFMO COC(=O)[C@@H]1[C@@H](OC)[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@@H]3C[C@@H]21 ZINC000011615766 553339440 /nfs/dbraw/zinc/33/94/40/553339440.db2.gz QEVHRUUCFGRFIF-SRVLAJERSA-N 1 1 608.688 4.171 1 0 KIAFMO COC(=O)[C@@H]1[C@@H](OC)[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@@H]3C[C@@H]21 ZINC000011615766 553339438 /nfs/dbraw/zinc/33/94/38/553339438.db2.gz QEVHRUUCFGRFIF-SRVLAJERSA-N 1 1 608.688 4.171 1 0 KIAFMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000011615767 553339405 /nfs/dbraw/zinc/33/94/05/553339405.db2.gz QEVHRUUCFGRFIF-XOQNUTEZSA-N 1 1 608.688 4.171 1 0 KIAFMO COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000011615767 553339402 /nfs/dbraw/zinc/33/94/02/553339402.db2.gz QEVHRUUCFGRFIF-XOQNUTEZSA-N 1 1 608.688 4.171 1 0 KIAFMO C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000011785239 561709878 /nfs/dbraw/zinc/70/98/78/561709878.db2.gz ZYWSQMCIHBIHHR-OFNKIYASSA-N 1 1 533.620 4.361 1 0 KIAFMO O=C(NCC[N@H+](CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438603 561712227 /nfs/dbraw/zinc/71/22/27/561712227.db2.gz RVFWCLJRIRUOIQ-SSEXGKCCSA-N 1 1 512.698 4.194 1 0 KIAFMO O=C(NCC[N@H+](CCCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(O)cc2C1)c1ccccc1 ZINC000013438606 561712211 /nfs/dbraw/zinc/71/22/11/561712211.db2.gz RVFWCLJRIRUOIQ-PMERELPUSA-N 1 1 512.698 4.194 1 0 KIAFMO COc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439443 561712404 /nfs/dbraw/zinc/71/24/04/561712404.db2.gz QEMYWIPVNFBRSI-HHHXNRCGSA-N 1 1 521.727 4.376 1 0 KIAFMO COc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000013439447 561712393 /nfs/dbraw/zinc/71/23/93/561712393.db2.gz QEMYWIPVNFBRSI-MHZLTWQESA-N 1 1 521.727 4.376 1 0 KIAFMO O=C(NCCC[N@H+]1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)Nc1cccc(I)c1 ZINC000013443443 561712945 /nfs/dbraw/zinc/71/29/45/561712945.db2.gz CEMHMXWUBPDAQL-NHCUHLMSSA-N 1 1 502.400 4.037 1 0 KIAFMO O=C(NCCC[N@H+]1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)Nc1ccc(I)cc1 ZINC000013443446 561712998 /nfs/dbraw/zinc/71/29/98/561712998.db2.gz ZHFUJRBAYSOUBG-NHCUHLMSSA-N 1 1 502.400 4.037 1 0 KIAFMO CCCC[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CC[N@H+]1CCCNC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000013443687 561713007 /nfs/dbraw/zinc/71/30/07/561713007.db2.gz BAAFLUWVDPBRCL-MVNQZMKCSA-N 1 1 519.694 4.263 1 0 KIAFMO O=C(Cc1cccc(Br)c1)NC1CC[NH+](Cc2cccc(I)c2)CC1 ZINC000013470652 561713747 /nfs/dbraw/zinc/71/37/47/561713747.db2.gz CKJQRPBJJKQHHF-UHFFFAOYSA-N 1 1 513.217 4.377 1 0 KIAFMO COc1cc(COc2cc(Cc3c[nH+]c(N)nc3N)ccc2OCc2ccccc2)cc(OC)c1OC ZINC000013472738 561714203 /nfs/dbraw/zinc/71/42/03/561714203.db2.gz BZOMCHHVNZCETR-UHFFFAOYSA-N 1 1 502.571 4.416 1 0 KIAFMO CCN(c1ncccn1)C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000013487347 561715156 /nfs/dbraw/zinc/71/51/56/561715156.db2.gz LUPZAUDHSLGRIO-HUROMRQRSA-N 1 1 509.670 4.265 1 0 KIAFMO CS(=O)(=O)Nc1cc(F)ccc1C(=O)CCC[N@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488007 561715502 /nfs/dbraw/zinc/71/55/02/561715502.db2.gz DJAYOTFCMKFULR-UNMCSNQZSA-N 1 1 503.665 4.334 1 0 KIAFMO CS(=O)(=O)Nc1cc(F)ccc1C(=O)CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488007 561715500 /nfs/dbraw/zinc/71/55/00/561715500.db2.gz DJAYOTFCMKFULR-UNMCSNQZSA-N 1 1 503.665 4.334 1 0 KIAFMO O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCC[N@H+]1Cc1ccoc1)Nc1ccccc1 ZINC000013489682 561715967 /nfs/dbraw/zinc/71/59/67/561715967.db2.gz APCODMORPNOUGW-FTJBHMTQSA-N 1 1 503.672 4.367 1 0 KIAFMO O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCC[N@H+]1Cc1ccccn1)Nc1ccccc1 ZINC000013489684 561716004 /nfs/dbraw/zinc/71/60/04/561716004.db2.gz KIUTVGMIVWTAFY-SXOMAYOGSA-N 1 1 514.699 4.169 1 0 KIAFMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)[N@@H+](C[C@@H]2CCCO2)CC[C@]314 ZINC000013518082 561716791 /nfs/dbraw/zinc/71/67/91/561716791.db2.gz JYPQIBMWBJBMFO-BHYHCEIKSA-N 1 1 503.639 4.255 1 0 KIAFMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)[N@@H+](C[C@H]2CCCO2)CC[C@]314 ZINC000013518084 561716750 /nfs/dbraw/zinc/71/67/50/561716750.db2.gz JYPQIBMWBJBMFO-ZFXUWXHMSA-N 1 1 503.639 4.255 1 0 KIAFMO CCc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)c1 ZINC000013519324 561716907 /nfs/dbraw/zinc/71/69/07/561716907.db2.gz LMWQYILSIDBZRE-UHFFFAOYSA-N 1 1 518.608 4.444 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[N@@H+](C)Cc3ccccn3)c2=O)c1 ZINC000013553283 561718297 /nfs/dbraw/zinc/71/82/97/561718297.db2.gz ACHAWAOSLYJAMP-IBGZPJMESA-N 1 1 520.580 4.236 1 0 KIAFMO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000013555345 561718538 /nfs/dbraw/zinc/71/85/38/561718538.db2.gz MJDINJZUFSVWFM-RZJIVJKBSA-N 1 1 515.445 4.137 1 0 KIAFMO COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@@H+](CCCOc3ccc(Br)cc3)C1)CC2 ZINC000013558936 561719343 /nfs/dbraw/zinc/71/93/43/561719343.db2.gz QJOFOCOELQJHKZ-HXUWFJFHSA-N 1 1 503.437 4.398 1 0 KIAFMO COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@@H+](CCCOc3ccc(Br)cc3)C1)CC2 ZINC000013558937 561719501 /nfs/dbraw/zinc/71/95/01/561719501.db2.gz QJOFOCOELQJHKZ-FQEVSTJZSA-N 1 1 503.437 4.398 1 0 KIAFMO Cc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000013559582 561719508 /nfs/dbraw/zinc/71/95/08/561719508.db2.gz OIHWKFSKUUHXKM-UHFFFAOYSA-N 1 1 504.581 4.190 1 0 KIAFMO Cc1c(-c2cccc(F)c2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559586 561719436 /nfs/dbraw/zinc/71/94/36/561719436.db2.gz FZQYYCQNCZUSQP-UHFFFAOYSA-N 1 1 508.544 4.021 1 0 KIAFMO Cc1c(-c2ccccc2F)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559587 561719443 /nfs/dbraw/zinc/71/94/43/561719443.db2.gz JEDCMEAMVGULED-UHFFFAOYSA-N 1 1 508.544 4.021 1 0 KIAFMO O=C(Nc1cccnc1)c1c2ncnc(N3CC[NH+](CCc4ccc(F)c(F)c4)CC3)c2n2c1CCCC2 ZINC000013559648 561719578 /nfs/dbraw/zinc/71/95/78/561719578.db2.gz YEHNDLQWKSUNTD-UHFFFAOYSA-N 1 1 517.584 4.058 1 0 KIAFMO COc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Br)cc5)cc4C[C@@]4(O)[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000013559707 561719591 /nfs/dbraw/zinc/71/95/91/561719591.db2.gz RLITVHVDMDWVTR-NVSKSXHLSA-N 1 1 505.412 4.439 1 0 KIAFMO COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000013586735 561720512 /nfs/dbraw/zinc/72/05/12/561720512.db2.gz SCTGDGGFKAZYPK-MHZLTWQESA-N 1 1 520.699 4.333 1 0 KIAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CC2 ZINC000013588503 561720982 /nfs/dbraw/zinc/72/09/82/561720982.db2.gz UNYNHWPKQAKANT-UHFFFAOYSA-N 1 1 507.425 4.052 1 0 KIAFMO COc1ccc(CC[N@@H+](C)CCCN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000013687247 561724758 /nfs/dbraw/zinc/72/47/58/561724758.db2.gz HQDHRIMGPIZFQT-QYVRTBTHSA-N 1 1 510.634 4.460 1 0 KIAFMO O=C(OCC[NH+]1CCN(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1 ZINC000013737405 561725649 /nfs/dbraw/zinc/72/56/49/561725649.db2.gz LMEQMRJMINUGJW-UHFFFAOYSA-N 1 1 504.412 4.468 1 0 KIAFMO CCCN(c1[nH+]cccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758757 561727367 /nfs/dbraw/zinc/72/73/67/561727367.db2.gz DZKQDDOGORSZDZ-UHFFFAOYSA-N 1 1 512.680 4.276 1 0 KIAFMO CCNc1ccc[nH+]c1N(CC)C1CCN(C(=O)c2cc3cc(NS(=O)(=O)C(C)C)ccc3[nH]2)CC1 ZINC000013758774 561727439 /nfs/dbraw/zinc/72/74/39/561727439.db2.gz BIQFVVHHRNCUJC-UHFFFAOYSA-N 1 1 512.680 4.276 1 0 KIAFMO Cc1c(C)c(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)c(C)c(C)c1C[NH3+] ZINC000013779036 561728774 /nfs/dbraw/zinc/72/87/74/561728774.db2.gz WQVNIMGPTXTIGL-MFMCTBQISA-N 1 1 512.698 4.146 1 0 KIAFMO COc1ccc(NC(=O)N2CC[NH+](CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1 ZINC000013806212 561731391 /nfs/dbraw/zinc/73/13/91/561731391.db2.gz RXGJIWBUJGUKEZ-UHFFFAOYSA-N 1 1 522.669 4.240 1 0 KIAFMO COc1ccc(NC(=O)NCC[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1N1CCN(C)CC1 ZINC000013806224 561731342 /nfs/dbraw/zinc/73/13/42/561731342.db2.gz FBHJLENKHMRXEZ-UHFFFAOYSA-N 1 1 508.642 4.069 1 0 KIAFMO O=C(/C=C/c1ccc(Sc2ccccc2NCCC[NH+]2CCOCC2)c(Cl)c1)N1CCOCC1 ZINC000013814835 561732001 /nfs/dbraw/zinc/73/20/01/561732001.db2.gz FYCLIBMUEUKVCF-VQHVLOKHSA-N 1 1 502.080 4.497 1 0 KIAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c[nH]nc3C(C)C)cc2)cc1OC ZINC000013827203 561733003 /nfs/dbraw/zinc/73/30/03/561733003.db2.gz DKVNASUUYOKCHP-UHFFFAOYSA-N 1 1 501.649 4.327 1 0 KIAFMO COc1ccc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCOCC4)cc(O[C@@H]4CCOC4)c32)c1 ZINC000013919351 561735699 /nfs/dbraw/zinc/73/56/99/561735699.db2.gz DWMMULHPJUKYRJ-LJQANCHMSA-N 1 1 515.010 4.304 1 0 KIAFMO O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000013976876 561735914 /nfs/dbraw/zinc/73/59/14/561735914.db2.gz SILRXFHWSPZKLR-MHZLTWQESA-N 1 1 520.605 4.189 1 0 in-vivo KIAFMO CCOc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CC[N@@H+](C)C4)C3)s2)c(Cl)c1 ZINC000013981373 561735988 /nfs/dbraw/zinc/73/59/88/561735988.db2.gz GRUXIYRSCHRZDE-MSOLQXFVSA-N 1 1 505.084 4.369 1 0 KIAFMO CC(C)[C@@H]1SCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942860 561740286 /nfs/dbraw/zinc/74/02/86/561740286.db2.gz QLFYYBGXVAYDRB-QWZPYLIWSA-N 1 1 577.857 4.326 1 0 KIAFMO CC(C)[C@H]1SCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014942862 561740301 /nfs/dbraw/zinc/74/03/01/561740301.db2.gz QLFYYBGXVAYDRB-GSYGMJNASA-N 1 1 577.857 4.326 1 0 KIAFMO CC(C)C[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942888 561740447 /nfs/dbraw/zinc/74/04/47/561740447.db2.gz OTYAZVZPQIOMFF-OWCZDTJQSA-N 1 1 619.869 4.082 1 0 KIAFMO CC(C)C[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942888 561740446 /nfs/dbraw/zinc/74/04/46/561740446.db2.gz OTYAZVZPQIOMFF-OWCZDTJQSA-N 1 1 619.869 4.082 1 0 KIAFMO CC(C)C[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942890 561740436 /nfs/dbraw/zinc/74/04/36/561740436.db2.gz OTYAZVZPQIOMFF-KZKRDFPPSA-N 1 1 619.869 4.082 1 0 KIAFMO CC(C)C[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942890 561740435 /nfs/dbraw/zinc/74/04/35/561740435.db2.gz OTYAZVZPQIOMFF-KZKRDFPPSA-N 1 1 619.869 4.082 1 0 KIAFMO CCCC[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943051 561740657 /nfs/dbraw/zinc/74/06/57/561740657.db2.gz NTNXTIVVNYYALB-OWCZDTJQSA-N 1 1 619.869 4.226 1 0 KIAFMO CCCC[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943051 561740656 /nfs/dbraw/zinc/74/06/56/561740656.db2.gz NTNXTIVVNYYALB-OWCZDTJQSA-N 1 1 619.869 4.226 1 0 KIAFMO CCCC[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943052 561740694 /nfs/dbraw/zinc/74/06/94/561740694.db2.gz NTNXTIVVNYYALB-KZKRDFPPSA-N 1 1 619.869 4.226 1 0 KIAFMO CCCC[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014943052 561740692 /nfs/dbraw/zinc/74/06/92/561740692.db2.gz NTNXTIVVNYYALB-KZKRDFPPSA-N 1 1 619.869 4.226 1 0 KIAFMO COC[C@@H]1SCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000014943071 561740736 /nfs/dbraw/zinc/74/07/36/561740736.db2.gz TVASCYDFQDRAJE-PMJXQHFJSA-N 1 1 575.816 4.001 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2CCC[C@@H]12 ZINC000014943073 561740698 /nfs/dbraw/zinc/74/06/98/561740698.db2.gz LUICRMGYHPZLQE-XUSCARPCSA-N 1 1 555.760 4.048 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CC[C@H]2OCC[C@H]21 ZINC000014943074 561740797 /nfs/dbraw/zinc/74/07/97/561740797.db2.gz BXHKUQJOWIKKIH-LNDVOCBLSA-N 1 1 555.760 4.048 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000014943135 561740883 /nfs/dbraw/zinc/74/08/83/561740883.db2.gz WAHBCPQDHASNLU-QNRWOPMTSA-N 1 1 588.749 4.245 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 ZINC000014943137 561740875 /nfs/dbraw/zinc/74/08/75/561740875.db2.gz VFWJLYLCPJFUKE-OKDNLZPVSA-N 1 1 586.777 4.067 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CSc1ccccc1 ZINC000014943138 561740859 /nfs/dbraw/zinc/74/08/59/561740859.db2.gz PGASSTKSMMTYHX-CFNXAKABSA-N 1 1 604.817 4.227 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1 ZINC000014943139 561740931 /nfs/dbraw/zinc/74/09/31/561740931.db2.gz FXGXHPLBTOAXAD-JDIHBLRXSA-N 1 1 600.804 4.457 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 ZINC000014943140 561740856 /nfs/dbraw/zinc/74/08/56/561740856.db2.gz YEPGBKOTJWSVML-WJKUSJKMSA-N 1 1 584.761 4.148 1 0 KIAFMO Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943142 561740895 /nfs/dbraw/zinc/74/08/95/561740895.db2.gz NHVDOABLJWTEDN-JDIHBLRXSA-N 1 1 600.804 4.376 1 0 KIAFMO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C ZINC000014943146 561741074 /nfs/dbraw/zinc/74/10/74/561741074.db2.gz YNTKPAFJCHPPOK-OKDNLZPVSA-N 1 1 616.803 4.130 1 0 KIAFMO CCN(c1ncccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CC[NH+](C)CC4)ccc3[nH]2)CC1 ZINC000014943523 561741859 /nfs/dbraw/zinc/74/18/59/561741859.db2.gz BWFUDYUEKKDPNU-UHFFFAOYSA-N 1 1 546.720 4.294 1 0 KIAFMO CCCCOc1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)[nH+]c(N)c1C(=O)c1c(F)cccc1F ZINC000014945664 561743139 /nfs/dbraw/zinc/74/31/39/561743139.db2.gz CWPZIVZTUUDPOJ-UHFFFAOYSA-N 1 1 504.559 4.346 1 0 KIAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1cnc(NC(=O)c2cccc(Cl)c2)nc1 ZINC000014949900 561745331 /nfs/dbraw/zinc/74/53/31/561745331.db2.gz AOXJOSBWMOJKHF-UHFFFAOYSA-N 1 1 550.019 4.179 1 0 KIAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1cnc(NC(=O)c2ccc(F)c(Cl)c2)nc1 ZINC000014949903 561745300 /nfs/dbraw/zinc/74/53/00/561745300.db2.gz OBJQXZRQUYWVJO-UHFFFAOYSA-N 1 1 568.009 4.318 1 0 KIAFMO CCc1ccc(C(=O)Nc2ncc(Nc3ncnc4cc(OCCC[NH+]5CCOCC5)c(OC)cc43)cn2)cc1 ZINC000014949909 561745312 /nfs/dbraw/zinc/74/53/12/561745312.db2.gz DBUXDQRKRMIKFT-UHFFFAOYSA-N 1 1 543.628 4.088 1 0 KIAFMO Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3C[N@H+]3CC[C@@H](O)C3)cc1)C2=O ZINC000014950461 561745586 /nfs/dbraw/zinc/74/55/86/561745586.db2.gz BGSMHNHLTFKRFT-XMMPIXPASA-N 1 1 534.620 4.341 1 0 KIAFMO Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3C[N@H+]3CC[C@@H](O)C3)cc1F)C2=O ZINC000014950465 561745545 /nfs/dbraw/zinc/74/55/45/561745545.db2.gz JNQXDDWCPSDRRR-JOCHJYFZSA-N 1 1 552.610 4.480 1 0 KIAFMO NC(=O)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)c1 ZINC000014950601 561745632 /nfs/dbraw/zinc/74/56/32/561745632.db2.gz HNCKZXDJGXSLKW-XMMPIXPASA-N 1 1 575.591 4.427 1 0 KIAFMO Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(-c3ccccc3C[N@H+]3CC[C@@H](O)C3)cc1)c2=O ZINC000014951263 561746009 /nfs/dbraw/zinc/74/60/09/561746009.db2.gz POCPCDOLJIBGGA-XMMPIXPASA-N 1 1 547.619 4.145 1 0 KIAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)c4[nH]c(=O)n(-c5ccc(-c6ccccc6C[N@H+]6CC[C@@H](O)C6)cc5)c(=O)c43)cc12 ZINC000014951298 561745986 /nfs/dbraw/zinc/74/59/86/561745986.db2.gz TWMNBFIQJQJQJW-HXUWFJFHSA-N 1 1 603.561 4.253 1 0 KIAFMO Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(NCCC[NH+]3CCOCC3)nc(C)n2)s1 ZINC000014952217 561746222 /nfs/dbraw/zinc/74/62/22/561746222.db2.gz CRHCQKSSAJEGRA-UHFFFAOYSA-N 1 1 502.044 4.333 1 0 KIAFMO COc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953615 561746735 /nfs/dbraw/zinc/74/67/35/561746735.db2.gz DHDMHUQPQCPSEY-UHFFFAOYSA-N 1 1 534.484 4.440 1 0 KIAFMO Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3c[nH+]cc3Cn3ccc(C(=O)N4CCOCC4)c3)ccc21 ZINC000014955825 561747496 /nfs/dbraw/zinc/74/74/96/561747496.db2.gz JCBXKMGAKYCOTP-UHFFFAOYSA-N 1 1 542.039 4.426 1 0 KIAFMO CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3C[N@H+]3CC[C@@H](O)C3)cc1)C2=O ZINC000014969382 561750555 /nfs/dbraw/zinc/75/05/55/561750555.db2.gz YALQNWIYMBHEMW-AREMUKBSSA-N 1 1 566.658 4.494 1 0 KIAFMO COc1ccc(-n2nc(C(=O)N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969397 561750734 /nfs/dbraw/zinc/75/07/34/561750734.db2.gz WLBWFTGACLTMDU-AREMUKBSSA-N 1 1 565.674 4.019 1 0 KIAFMO CNc1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3C[N@H+]3CC[C@@H](O)C3)cc1)C2=O ZINC000014969417 561750687 /nfs/dbraw/zinc/75/06/87/561750687.db2.gz CFMAGVSIRHKWHW-RUZDIDTESA-N 1 1 523.637 4.359 1 0 KIAFMO COc1ccc(-n2nc(N(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969421 561750738 /nfs/dbraw/zinc/75/07/38/561750738.db2.gz JJEPTCSFQFAEHF-AREMUKBSSA-N 1 1 537.664 4.383 1 0 KIAFMO CC[N@@H+](C)Cc1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1 ZINC000014969569 561750693 /nfs/dbraw/zinc/75/06/93/561750693.db2.gz AKDHCBCCGAELNG-UHFFFAOYSA-N 1 1 541.578 4.465 1 0 KIAFMO COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000014978263 561752692 /nfs/dbraw/zinc/75/26/92/561752692.db2.gz WCQVAWSYBDYEEQ-AREMUKBSSA-N 1 1 545.709 4.336 1 0 KIAFMO COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000014978267 561752684 /nfs/dbraw/zinc/75/26/84/561752684.db2.gz WCQVAWSYBDYEEQ-SANMLTNESA-N 1 1 545.709 4.336 1 0 KIAFMO COc1ccc(-c2nc(-c3cccs3)[nH]c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000014978273 561752703 /nfs/dbraw/zinc/75/27/03/561752703.db2.gz BMFCBMKPLCOORV-HSZRJFAPSA-N 1 1 551.738 4.397 1 0 KIAFMO C[NH+](C)Cc1nccn1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000016052516 561754059 /nfs/dbraw/zinc/75/40/59/561754059.db2.gz MGUDDBRJHXFTEY-UHFFFAOYSA-N 1 1 528.523 4.040 1 0 in-vitro KIAFMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000017653949 565104966 /nfs/dbraw/zinc/10/49/66/565104966.db2.gz QEVHRUUCFGRFIF-JYLITCIISA-N 1 1 608.688 4.171 1 0 biogenic,in-vitro KIAFMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC ZINC000017653949 565104962 /nfs/dbraw/zinc/10/49/62/565104962.db2.gz QEVHRUUCFGRFIF-JYLITCIISA-N 1 1 608.688 4.171 1 0 biogenic,in-vitro KIAFMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020575953 561758700 /nfs/dbraw/zinc/75/87/00/561758700.db2.gz CNORBXIWMHGTOS-UHFFFAOYSA-N 1 1 538.737 4.053 1 0 KIAFMO COc1cc(OC)cc(-c2cc3cnc(NCCC[NH+]4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000021289455 561758809 /nfs/dbraw/zinc/75/88/09/561758809.db2.gz QNIMLRHYPMIYSE-UHFFFAOYSA-N 1 1 522.650 4.368 1 0 KIAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)CC3)ccc2s1 ZINC000022448000 561759094 /nfs/dbraw/zinc/75/90/94/561759094.db2.gz QQKJIZOFAXRQPI-LJQANCHMSA-N 1 1 533.576 4.231 1 0 KIAFMO CCN1CC[NH+](CCCNC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000022795278 561759542 /nfs/dbraw/zinc/75/95/42/561759542.db2.gz OWTSUFCOWGZCPK-UHFFFAOYSA-N 1 1 552.764 4.361 1 0 KIAFMO O=C1NCN(c2ccccc2)C12CC[NH+](CCCN1CCN(CCOC(c3ccccc3)c3ccccc3)CC1)CC2 ZINC000022860064 561759600 /nfs/dbraw/zinc/75/96/00/561759600.db2.gz ZJPCTJQUIYMFHV-UHFFFAOYSA-N 1 1 567.778 4.229 1 0 KIAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(Br)cc1F ZINC000022925294 561759730 /nfs/dbraw/zinc/75/97/30/561759730.db2.gz ZTHXTCUTPBRCGU-UHFFFAOYSA-N 1 1 504.404 4.300 1 0 KIAFMO Cc1nc(N)nc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927081 561759871 /nfs/dbraw/zinc/75/98/71/561759871.db2.gz MPGURQFCCSFBHA-PXNSSMCTSA-N 1 1 518.628 4.456 1 0 KIAFMO O=C1CC[C@](CCN2CC(N3CC[NH2+]CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927740 561759932 /nfs/dbraw/zinc/75/99/32/561759932.db2.gz DBKZTQXVXUMAQV-HHHXNRCGSA-N 1 1 501.502 4.033 1 0 KIAFMO O=C1CC[C@@](CCN2CC(N3CC[NH2+]CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927745 561759930 /nfs/dbraw/zinc/75/99/30/561759930.db2.gz DBKZTQXVXUMAQV-MHZLTWQESA-N 1 1 501.502 4.033 1 0 KIAFMO O=C1CC[C@@](CC[NH+]2CC(N3CC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927771 561759921 /nfs/dbraw/zinc/75/99/21/561759921.db2.gz UXOFSGJDRPUGPP-KCWPFWIISA-N 1 1 502.486 4.195 1 0 KIAFMO O=C1CC[C@@](CCN2CC([N@H+]3CC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927771 561759920 /nfs/dbraw/zinc/75/99/20/561759920.db2.gz UXOFSGJDRPUGPP-KCWPFWIISA-N 1 1 502.486 4.195 1 0 KIAFMO O=C1CC[C@@](CC[NH+]2CC(N3CC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927775 561759893 /nfs/dbraw/zinc/75/98/93/561759893.db2.gz UXOFSGJDRPUGPP-HOFKKMOUSA-N 1 1 502.486 4.195 1 0 KIAFMO O=C1CC[C@@](CCN2CC([N@H+]3CC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927775 561759892 /nfs/dbraw/zinc/75/98/92/561759892.db2.gz UXOFSGJDRPUGPP-HOFKKMOUSA-N 1 1 502.486 4.195 1 0 KIAFMO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000022930497 561760305 /nfs/dbraw/zinc/76/03/05/561760305.db2.gz AVRLFPCOLFWWJA-JOCHJYFZSA-N 1 1 500.636 4.021 1 0 KIAFMO COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](CCCOc3cc(OC)c(OC)c(OC)c3)C1)CC2 ZINC000022930500 561760313 /nfs/dbraw/zinc/76/03/13/561760313.db2.gz AVRLFPCOLFWWJA-QFIPXVFZSA-N 1 1 500.636 4.021 1 0 KIAFMO C/C(=C\c1ccccc1)C[NH+]1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 ZINC000022933308 561760431 /nfs/dbraw/zinc/76/04/31/561760431.db2.gz DGXYDPJRLWCWFV-ZXDVGYGBSA-N 1 1 503.643 4.471 1 0 KIAFMO COc1cc(OC)cc(-c2cc3cnc(NCCC[NH+]4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000022933809 561760554 /nfs/dbraw/zinc/76/05/54/561760554.db2.gz ABQSJCCISLWTEW-UHFFFAOYSA-N 1 1 535.693 4.283 1 0 KIAFMO COc1ccc(C(c2ccc(OC)cc2)N2CC[NH+](C[C@@H](O)COc3cccc4ncccc43)CC2)cc1 ZINC000022934425 561760690 /nfs/dbraw/zinc/76/06/90/561760690.db2.gz RLMARSUJTBINAF-RUZDIDTESA-N 1 1 513.638 4.399 1 0 KIAFMO COc1ccc(C(c2ccc(OC)cc2)N2CC[NH+](C[C@H](O)COc3cccc4ncccc43)CC2)cc1 ZINC000022934429 561760732 /nfs/dbraw/zinc/76/07/32/561760732.db2.gz RLMARSUJTBINAF-VWLOTQADSA-N 1 1 513.638 4.399 1 0 KIAFMO O[C@H](Cn1cnc2c1ncnc2-c1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022937600 561760927 /nfs/dbraw/zinc/76/09/27/561760927.db2.gz GLSVGSFXOIVQAO-MHZLTWQESA-N 1 1 504.638 4.261 1 0 KIAFMO O[C@@H](Cn1cnc2c1ncnc2-c1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022937604 561760851 /nfs/dbraw/zinc/76/08/51/561760851.db2.gz GLSVGSFXOIVQAO-HHHXNRCGSA-N 1 1 504.638 4.261 1 0 KIAFMO O[C@H](Cn1cnc2c1ncnc2-c1cccs1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022937620 561760900 /nfs/dbraw/zinc/76/09/00/561760900.db2.gz MHBZKFBJJGEBGG-DEOSSOPVSA-N 1 1 510.667 4.323 1 0 KIAFMO O[C@H](Cn1cnc(-c2cccs2)c2ncnc1-2)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022937624 561760838 /nfs/dbraw/zinc/76/08/38/561760838.db2.gz JHJXZPGLFYLGMZ-DEOSSOPVSA-N 1 1 510.667 4.275 1 0 KIAFMO O[C@H](Cn1cnc(-c2ccccc2)c2ncnc1-2)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022937627 561760911 /nfs/dbraw/zinc/76/09/11/561760911.db2.gz QFTHCPHICSULPM-MHZLTWQESA-N 1 1 504.638 4.213 1 0 KIAFMO C=CC(=O)Nc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1cccc(Br)c1 ZINC000022939587 561760940 /nfs/dbraw/zinc/76/09/40/561760940.db2.gz IWAYNBDAXAGXQK-UHFFFAOYSA-N 1 1 525.451 4.277 1 0 KIAFMO COc1ccc(CN(Cc2ccccc2)C(=O)CN2CC[NH+](C)CC2)cc1COc1ccc(NC(C)=O)cc1 ZINC000022940586 561761078 /nfs/dbraw/zinc/76/10/78/561761078.db2.gz JHFPPDBCHVELNR-UHFFFAOYSA-N 1 1 530.669 4.009 1 0 KIAFMO O=c1[nH]c2ccccc2c(=O)n1CCN1CC[NH+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000022940789 561761030 /nfs/dbraw/zinc/76/10/30/561761030.db2.gz OEZDKSAWBIOPBE-RPLLCQBOSA-N 1 1 519.020 4.377 1 0 KIAFMO CCNC(=O)Nc1nc2nc(NCCC[NH+]3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000022941830 561761246 /nfs/dbraw/zinc/76/12/46/561761246.db2.gz ZAPMLUQRTGRJST-UHFFFAOYSA-N 1 1 517.465 4.189 1 0 KIAFMO Cc1cccc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 ZINC000022941902 561761203 /nfs/dbraw/zinc/76/12/03/561761203.db2.gz IICSHLLWAXMCEQ-ZEQRLZLVSA-N 1 1 511.732 4.469 1 0 KIAFMO Cc1cccc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 ZINC000022941902 561761200 /nfs/dbraw/zinc/76/12/00/561761200.db2.gz IICSHLLWAXMCEQ-ZEQRLZLVSA-N 1 1 511.732 4.469 1 0 KIAFMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CC[N@H+](C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000022941906 561761261 /nfs/dbraw/zinc/76/12/61/561761261.db2.gz NIQFKQNWLGIKCV-PMACEKPBSA-N 1 1 533.138 4.088 1 0 KIAFMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CC[N@@H+](C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000022941906 561761260 /nfs/dbraw/zinc/76/12/60/561761260.db2.gz NIQFKQNWLGIKCV-PMACEKPBSA-N 1 1 533.138 4.088 1 0 KIAFMO CN1CC[NH+](CCCOc2cc3ncnc(Nc4c5c(ccc4Cl)OCO5)c3c(OC3CCOCC3)c2)CC1 ZINC000023358069 561762013 /nfs/dbraw/zinc/76/20/13/561762013.db2.gz NNTCPBYVAUSUOH-UHFFFAOYSA-N 1 1 556.063 4.330 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000024447427 561762286 /nfs/dbraw/zinc/76/22/86/561762286.db2.gz AOMZDQMIOCTPQP-QHQMVRJISA-N 1 1 652.836 4.218 1 0 investigational KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000024447427 561762284 /nfs/dbraw/zinc/76/22/84/561762284.db2.gz AOMZDQMIOCTPQP-QHQMVRJISA-N 1 1 652.836 4.218 1 0 investigational KIAFMO CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(N)=O)[C@@H]1c1ccc(OC)cc1 ZINC000025988623 561764519 /nfs/dbraw/zinc/76/45/19/561764519.db2.gz QFVSJYNKQYXIFC-QPVYNBJUSA-N 1 1 509.647 4.095 1 0 KIAFMO COc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 ZINC000026149581 561767560 /nfs/dbraw/zinc/76/75/60/561767560.db2.gz BBODCZQPKZEGJT-LSYYVWMOSA-N 1 1 557.613 4.243 1 0 KIAFMO COc1ccc(OC[C@H](O)C[NH+]2CCN([C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 ZINC000026149588 561767551 /nfs/dbraw/zinc/76/75/51/561767551.db2.gz BBODCZQPKZEGJT-NAKRPHOHSA-N 1 1 557.613 4.243 1 0 KIAFMO COc1ccc(OC[C@@H](O)C[NH+]2CCN([C@H](CNC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 ZINC000026149596 561767563 /nfs/dbraw/zinc/76/75/63/561767563.db2.gz BBODCZQPKZEGJT-LBNVMWSVSA-N 1 1 557.613 4.243 1 0 KIAFMO COc1ccc(OC[C@H](O)C[NH+]2CCN([C@H](CNC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc3)CC2)cc1 ZINC000026149604 561767570 /nfs/dbraw/zinc/76/75/70/561767570.db2.gz BBODCZQPKZEGJT-LEAFIULHSA-N 1 1 557.613 4.243 1 0 KIAFMO Cc1ccc([C@H](C(=O)NCc2ccccc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026151181 561767686 /nfs/dbraw/zinc/76/76/86/561767686.db2.gz GHFZLQFZZCWSMK-FQLXRVMXSA-N 1 1 501.671 4.027 1 0 KIAFMO Cc1ccc([C@@H](C(=O)NCc2ccccc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026151187 561767713 /nfs/dbraw/zinc/76/77/13/561767713.db2.gz GHFZLQFZZCWSMK-WDYNHAJCSA-N 1 1 501.671 4.027 1 0 KIAFMO Cc1ccc([C@H](C(=O)NCc2ccccc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026151194 561767718 /nfs/dbraw/zinc/76/77/18/561767718.db2.gz GHFZLQFZZCWSMK-URLMMPGGSA-N 1 1 501.671 4.027 1 0 KIAFMO Cc1ccc([C@@H](C(=O)NCc2ccccc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026151202 561767638 /nfs/dbraw/zinc/76/76/38/561767638.db2.gz GHFZLQFZZCWSMK-VMPREFPWSA-N 1 1 501.671 4.027 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+]3CCC[C@H]3Cc3ccccn3)c2=O)c1 ZINC000026165433 561769066 /nfs/dbraw/zinc/76/90/66/561769066.db2.gz ZDCWXVJQXPCCNL-DEOSSOPVSA-N 1 1 546.618 4.423 1 0 KIAFMO COc1ccc(CNC(=O)[C@H](c2ccc(C)cc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165456 561769098 /nfs/dbraw/zinc/76/90/98/561769098.db2.gz QEJAZMZAGVBHNZ-DGPALRBDSA-N 1 1 531.697 4.035 1 0 KIAFMO COc1ccc(CNC(=O)[C@@H](c2ccc(C)cc2)N2CC[NH+](C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165461 561769109 /nfs/dbraw/zinc/76/91/09/561769109.db2.gz QEJAZMZAGVBHNZ-PQHLKRTFSA-N 1 1 531.697 4.035 1 0 KIAFMO COc1ccc(CNC(=O)[C@H](c2ccc(C)cc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165465 561769082 /nfs/dbraw/zinc/76/90/82/561769082.db2.gz QEJAZMZAGVBHNZ-JDXGNMNLSA-N 1 1 531.697 4.035 1 0 KIAFMO COc1ccc(CNC(=O)[C@@H](c2ccc(C)cc2)N2CC[NH+](C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026165470 561769057 /nfs/dbraw/zinc/76/90/57/561769057.db2.gz QEJAZMZAGVBHNZ-MFMCTBQISA-N 1 1 531.697 4.035 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@H+]3CCC[C@@H]3Cc3ccccn3)c2=O)c1 ZINC000026168963 561769579 /nfs/dbraw/zinc/76/95/79/561769579.db2.gz ZDCWXVJQXPCCNL-XMMPIXPASA-N 1 1 546.618 4.423 1 0 KIAFMO CCc1c(-c2cccc(OC)c2)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000026174142 561770618 /nfs/dbraw/zinc/77/06/18/561770618.db2.gz CEBFWYFIGNGBJH-UHFFFAOYSA-N 1 1 534.607 4.144 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OC)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000026176933 561770944 /nfs/dbraw/zinc/77/09/44/561770944.db2.gz NFVMZTGQYWKGPM-NTKLDSQTSA-N 1 1 722.883 4.357 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([NH2+][C@@H](CC(=O)[O-])c2ccccc2)C(C)(C)C)cc1 ZINC000026183168 561772178 /nfs/dbraw/zinc/77/21/78/561772178.db2.gz YWFRHTGYAAFGQV-DNSIVPQESA-N 1 1 736.910 4.237 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([NH2+][C@H](CC(=O)[O-])c2ccccc2)C(C)(C)C)cc1 ZINC000026183173 561772140 /nfs/dbraw/zinc/77/21/40/561772140.db2.gz YWFRHTGYAAFGQV-QGBMLUHRSA-N 1 1 736.910 4.237 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([NH2+][C@@H](CC(=O)[O-])c2ccccc2)C(C)(C)C)cc1 ZINC000026183178 561772193 /nfs/dbraw/zinc/77/21/93/561772193.db2.gz YWFRHTGYAAFGQV-PNPGQBLCSA-N 1 1 736.910 4.237 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([NH2+][C@H](CC(=O)[O-])c2ccccc2)C(C)(C)C)cc1 ZINC000026183185 561772197 /nfs/dbraw/zinc/77/21/97/561772197.db2.gz YWFRHTGYAAFGQV-BLJUYXBYSA-N 1 1 736.910 4.237 1 0 KIAFMO CS(=O)(=O)Nc1ccc(CC[N@@H+](CCOc2ccc(NS(C)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000026256047 561774825 /nfs/dbraw/zinc/77/48/25/561774825.db2.gz ZQWNSZLRRSGXAI-UHFFFAOYSA-N 1 1 552.118 4.207 1 0 KIAFMO COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CC[NH+]3CCOCC3)o2)ccc1-c1cnco1 ZINC000026257734 561775188 /nfs/dbraw/zinc/77/51/88/561775188.db2.gz HTKNYZVIKZSPAT-UHFFFAOYSA-N 1 1 503.559 4.434 1 0 KIAFMO COc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+]5CCN(C)CC5)n(C)c4)n(CCC(C)C)c3)n(C)c2)c1 ZINC000026263565 561775948 /nfs/dbraw/zinc/77/59/48/561775948.db2.gz NBIJLPPJAGKKIV-UHFFFAOYSA-N 1 1 713.884 4.344 1 0 KIAFMO COc1cc(OC2CC[NH+](Cc3ccc[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026267798 561776706 /nfs/dbraw/zinc/77/67/06/561776706.db2.gz PSDWIGDAKCVFIN-UHFFFAOYSA-N 1 1 572.662 4.133 1 0 KIAFMO COc1cc(OC2CC[NH+](Cc3ccc(C)[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026274223 561777908 /nfs/dbraw/zinc/77/79/08/561777908.db2.gz RZOGTYWRZGCKBL-UHFFFAOYSA-N 1 1 586.689 4.442 1 0 KIAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1 ZINC000026275574 561778127 /nfs/dbraw/zinc/77/81/27/561778127.db2.gz REFOHXNLQXATAB-MHZLTWQESA-N 1 1 598.744 4.485 1 0 KIAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(C)(C)C)cc2)C3=O)CC1 ZINC000026275579 561778178 /nfs/dbraw/zinc/77/81/78/561778178.db2.gz REFOHXNLQXATAB-HHHXNRCGSA-N 1 1 598.744 4.485 1 0 KIAFMO CC(C)[C@@H]1NC(=O)CCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276777 561778480 /nfs/dbraw/zinc/77/84/80/561778480.db2.gz NLFSULIAFLPDQL-FVDMJMFVSA-N 1 1 626.883 4.354 1 0 KIAFMO CC(C)[C@@H]1NC(=O)CCCCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026276782 561778521 /nfs/dbraw/zinc/77/85/21/561778521.db2.gz NLFSULIAFLPDQL-RVGVYMJNSA-N 1 1 626.883 4.354 1 0 KIAFMO COc1cc(OC2CC[NH+](Cc3cc(C)c[n+]([O-])c3)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026276862 561778500 /nfs/dbraw/zinc/77/85/00/561778500.db2.gz VRMBQNHQLUQMBZ-UHFFFAOYSA-N 1 1 586.689 4.442 1 0 KIAFMO COc1cc(OC2CC[NH+](Cc3c[n+]([O-])ccc3C)CC2)ccc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026277511 561778534 /nfs/dbraw/zinc/77/85/34/561778534.db2.gz GYAHVWAMDVYWNR-UHFFFAOYSA-N 1 1 586.689 4.442 1 0 KIAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CCC[N@H+]([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000026278645 561778723 /nfs/dbraw/zinc/77/87/23/561778723.db2.gz SJWQFWLXMXSQHA-ZMGGXKTPSA-N 1 1 599.772 4.335 1 0 KIAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 ZINC000026279628 561778817 /nfs/dbraw/zinc/77/88/17/561778817.db2.gz DSQXAOLERDQQCP-QFIPXVFZSA-N 1 1 611.526 4.494 1 0 KIAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)c(Cl)c2)C3=O)CC1 ZINC000026279634 561778798 /nfs/dbraw/zinc/77/87/98/561778798.db2.gz DSQXAOLERDQQCP-JOCHJYFZSA-N 1 1 611.526 4.494 1 0 KIAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(O)CC[N@H+]([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)C1 ZINC000026282839 561779316 /nfs/dbraw/zinc/77/93/16/561779316.db2.gz VDBGTHXNHRANMM-IPYNOVJJSA-N 1 1 718.895 4.488 1 0 KIAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C1(O)CC[NH+]([C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000026286094 561779810 /nfs/dbraw/zinc/77/98/10/561779810.db2.gz BANXBIPCXMRHJA-RACKDBBVSA-N 1 1 599.772 4.335 1 0 KIAFMO CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026290163 561780545 /nfs/dbraw/zinc/78/05/45/561780545.db2.gz GRKWALBGUZROQR-YJCLFGMUSA-N 1 1 676.899 4.486 1 0 KIAFMO CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026290168 561780518 /nfs/dbraw/zinc/78/05/18/561780518.db2.gz GRKWALBGUZROQR-MRUVNSNJSA-N 1 1 676.899 4.486 1 0 KIAFMO CC(C)[C@@H]1NC(=O)/C=C\CCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295800 561781534 /nfs/dbraw/zinc/78/15/34/561781534.db2.gz QTAYUWFZSBEHPK-XEGYTTTESA-N 1 1 624.867 4.130 1 0 KIAFMO CC(C)[C@@H]1NC(=O)/C=C\CCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295805 561781441 /nfs/dbraw/zinc/78/14/41/561781441.db2.gz QTAYUWFZSBEHPK-JHUNIZGFSA-N 1 1 624.867 4.130 1 0 KIAFMO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000026379461 561783073 /nfs/dbraw/zinc/78/30/73/561783073.db2.gz JTQLNYJZPDKDQD-MMINWYLUSA-N 1 1 581.760 4.099 1 0 KIAFMO CN(C(=O)/C=C/c1ccc(S(C)(=O)=O)cc1)c1ccc(S(=O)(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000026379464 561783079 /nfs/dbraw/zinc/78/30/79/561783079.db2.gz JTQLNYJZPDKDQD-DKGRHVEHSA-N 1 1 581.760 4.099 1 0 KIAFMO CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000026380558 561783318 /nfs/dbraw/zinc/78/33/18/561783318.db2.gz HECCHSXNGDXQJD-UIOOFZCWSA-N 1 1 590.856 4.439 1 0 KIAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3ccc4ccccc4c3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026385230 561784311 /nfs/dbraw/zinc/78/43/11/561784311.db2.gz XUVNVRTUPCWABM-YQAAHHDASA-N 1 1 692.923 4.151 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3[nH]c5ccccc5[nH+]3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000026385328 561784268 /nfs/dbraw/zinc/78/42/68/561784268.db2.gz PFUKCYUTWLNDPF-ZAJAUZIHSA-N 1 1 515.522 4.102 1 0 KIAFMO CC(C)[C@H](NC(=O)c1cc(=O)c2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026386231 561784407 /nfs/dbraw/zinc/78/44/07/561784407.db2.gz KECQKQUDKBXADS-YYOAKOJNSA-N 1 1 672.867 4.431 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCOC1 ZINC000026386685 561784540 /nfs/dbraw/zinc/78/45/40/561784540.db2.gz JPWJMZNJZWAWDA-UEMRSFKDSA-N 1 1 683.894 4.254 1 0 KIAFMO CC(C)[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026391582 561785956 /nfs/dbraw/zinc/78/59/56/561785956.db2.gz COYUFXKETXXNHC-RTNFZYQOSA-N 1 1 656.872 4.268 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCOC1 ZINC000026395605 561786954 /nfs/dbraw/zinc/78/69/54/561786954.db2.gz JPWJMZNJZWAWDA-DRNYJLRZSA-N 1 1 683.894 4.254 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026479339 561791587 /nfs/dbraw/zinc/79/15/87/561791587.db2.gz WPNGOVIGRGIGBK-SJOQPYOASA-N 1 1 681.878 4.348 1 0 KIAFMO CC(C)(c1cc2cnccc2o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCCC(F)(F)F)C1 ZINC000026488361 561792890 /nfs/dbraw/zinc/79/28/90/561792890.db2.gz WKLLZUFFKHRQAI-ISNJGAFBSA-N 1 1 737.820 4.338 1 0 KIAFMO CC(C)c1c[nH]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC=O)C(C)C)[nH+]1 ZINC000026489149 561792981 /nfs/dbraw/zinc/79/29/81/561792981.db2.gz PVKWUUQJFDBKJZ-KNZVSNRJSA-N 1 1 504.675 4.109 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O ZINC000026490415 561793147 /nfs/dbraw/zinc/79/31/47/561793147.db2.gz MUULRSITXOVVFK-WGAQAMEHSA-N 1 1 697.877 4.185 1 0 KIAFMO CC(C)CNC(=O)[C@@H]1C[N@H+](C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O ZINC000026490799 561793278 /nfs/dbraw/zinc/79/32/78/561793278.db2.gz PCQQCKRYZKOPFN-FNJVQNSVSA-N 1 1 697.877 4.042 1 0 KIAFMO CC(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1[nH]cc(C(C)C)[nH+]1)C(C)C ZINC000026492912 561793612 /nfs/dbraw/zinc/79/36/12/561793612.db2.gz YZBQENDDAGQPSE-FUCIELGGSA-N 1 1 518.702 4.499 1 0 KIAFMO CC(C)(c1cc2cnccc2o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NC2CCCC2)C1 ZINC000026493411 561793775 /nfs/dbraw/zinc/79/37/75/561793775.db2.gz YCWHOUFNTCROPW-ZVFWFJJOSA-N 1 1 709.888 4.329 1 0 KIAFMO CC(C)(C)CNC(=O)[C@@H]1C[N@H+](C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O ZINC000026493417 561793778 /nfs/dbraw/zinc/79/37/78/561793778.db2.gz YGCFCMYXBQLPMM-FNJVQNSVSA-N 1 1 711.904 4.432 1 0 KIAFMO CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1[nH]cc(C(C)C)[nH+]1)C(C)C ZINC000026498978 561794882 /nfs/dbraw/zinc/79/48/82/561794882.db2.gz YZBQENDDAGQPSE-JMZGFNRRSA-N 1 1 518.702 4.499 1 0 KIAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000026572409 561798299 /nfs/dbraw/zinc/79/82/99/561798299.db2.gz LNHYSNXQZLAEBY-XGPKXWGSSA-N 1 1 577.766 4.139 1 0 KIAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000026572412 561798245 /nfs/dbraw/zinc/79/82/45/561798245.db2.gz LNHYSNXQZLAEBY-SZGBFMHYSA-N 1 1 577.766 4.139 1 0 KIAFMO O[C@H](Cn1cnc2c1ncnc2Cc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026576772 561800582 /nfs/dbraw/zinc/80/05/82/561800582.db2.gz FFQQYRUJLMJMJO-NDEPHWFRSA-N 1 1 518.665 4.185 1 0 KIAFMO O[C@@H](Cn1cnc2c1ncnc2Cc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026576773 561800571 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CCC[C@H]([NH3+])C(=O)O[C@H]1c2c(cc(-c3cccnc3)oc2=O)O[C@@]2(C)[C@@H]1[C@@]1(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]1C[C@@H]2OC(C)=O ZINC000026580356 561805892 /nfs/dbraw/zinc/80/58/92/561805892.db2.gz SWJLMFVDNMRTIY-LWRSMDLQSA-N 1 1 682.767 4.434 1 0 KIAFMO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 ZINC000026643381 561807120 /nfs/dbraw/zinc/80/71/20/561807120.db2.gz YRLDBHYCORQAPS-JOCHJYFZSA-N 1 1 544.764 4.364 1 0 KIAFMO CN(C[C@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccsc1)S(=O)(=O)c1ccccc1 ZINC000026643386 561807110 /nfs/dbraw/zinc/80/71/10/561807110.db2.gz YRLDBHYCORQAPS-QFIPXVFZSA-N 1 1 544.764 4.364 1 0 KIAFMO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 ZINC000026646380 561807454 /nfs/dbraw/zinc/80/74/54/561807454.db2.gz FUYLGGXQMBKXAX-XMMPIXPASA-N 1 1 582.744 4.031 1 0 KIAFMO CCOC(=O)N1CCC([NH+]2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)CC1 ZINC000026647677 561807755 /nfs/dbraw/zinc/80/77/55/561807755.db2.gz YWVQHLDAZWKISG-UHFFFAOYSA-N 1 1 514.644 4.044 1 0 KIAFMO CCCS(=O)(=O)N1CCC([NH+]2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1 ZINC000026649088 561808065 /nfs/dbraw/zinc/80/80/65/561808065.db2.gz QWIBHYUDAZKJRB-DHIUTWEWSA-N 1 1 634.817 4.141 1 0 KIAFMO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026652181 561808603 /nfs/dbraw/zinc/80/86/03/561808603.db2.gz LWNXOLJBTUPOET-RUZDIDTESA-N 1 1 538.735 4.302 1 0 KIAFMO CN(C[C@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000026652186 561808592 /nfs/dbraw/zinc/80/85/92/561808592.db2.gz LWNXOLJBTUPOET-VWLOTQADSA-N 1 1 538.735 4.302 1 0 KIAFMO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1cccs1)S(=O)(=O)c1ccccc1 ZINC000026652402 561808611 /nfs/dbraw/zinc/80/86/11/561808611.db2.gz ODUUCTLYVCWWKP-JOCHJYFZSA-N 1 1 544.764 4.364 1 0 KIAFMO CN(C[C@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1cccs1)S(=O)(=O)c1ccccc1 ZINC000026652407 561808588 /nfs/dbraw/zinc/80/85/88/561808588.db2.gz ODUUCTLYVCWWKP-QFIPXVFZSA-N 1 1 544.764 4.364 1 0 KIAFMO CCCS(=O)(=O)N1CCC([NH+]2CCC([C@@]3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 ZINC000026653843 561808874 /nfs/dbraw/zinc/80/88/74/561808874.db2.gz PFZBZEAIVHQPHF-PMERELPUSA-N 1 1 604.791 4.170 1 0 KIAFMO CCCS(=O)(=O)N1CCC([NH+]2CCC([C@]3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 ZINC000026653848 561808881 /nfs/dbraw/zinc/80/88/81/561808881.db2.gz PFZBZEAIVHQPHF-SSEXGKCCSA-N 1 1 604.791 4.170 1 0 KIAFMO O=c1[nH]c2ccccc2c(=O)n1CCN1CC[NH+]([C@@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026661781 561810460 /nfs/dbraw/zinc/81/04/60/561810460.db2.gz OEZDKSAWBIOPBE-SHQCIBLASA-N 1 1 519.020 4.377 1 0 KIAFMO O=c1[nH]c2ccccc2c(=O)n1CCN1CC[NH+]([C@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026661787 561810428 /nfs/dbraw/zinc/81/04/28/561810428.db2.gz OEZDKSAWBIOPBE-IGKIAQTJSA-N 1 1 519.020 4.377 1 0 KIAFMO O=c1[nH]c2ccccc2c(=O)n1CCN1CC[NH+]([C@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000026661793 561810437 /nfs/dbraw/zinc/81/04/37/561810437.db2.gz OEZDKSAWBIOPBE-SQHAQQRYSA-N 1 1 519.020 4.377 1 0 KIAFMO C[N@H+]1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1 ZINC000026665321 561811040 /nfs/dbraw/zinc/81/10/40/561811040.db2.gz PWVZGBVCDDZZNQ-QHCPKHFHSA-N 1 1 558.510 4.384 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026666681 561811402 /nfs/dbraw/zinc/81/14/02/561811402.db2.gz HVWSACNCBBMPIU-HNPDWQJRSA-N 1 1 675.921 4.143 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026666681 561811399 /nfs/dbraw/zinc/81/13/99/561811399.db2.gz HVWSACNCBBMPIU-HNPDWQJRSA-N 1 1 675.921 4.143 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3sccc3s2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026666686 561811407 /nfs/dbraw/zinc/81/14/07/561811407.db2.gz BKJDUSXQYYVNMA-NKBKYVEPSA-N 1 1 675.921 4.143 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3sccc3s2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026666686 561811405 /nfs/dbraw/zinc/81/14/05/561811405.db2.gz BKJDUSXQYYVNMA-NKBKYVEPSA-N 1 1 675.921 4.143 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3sccc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026667457 561811372 /nfs/dbraw/zinc/81/13/72/561811372.db2.gz SMBRIZZXTVLKIM-NKBKYVEPSA-N 1 1 675.921 4.143 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3sccc3s2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026667457 561811370 /nfs/dbraw/zinc/81/13/70/561811370.db2.gz SMBRIZZXTVLKIM-NKBKYVEPSA-N 1 1 675.921 4.143 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026667538 561811572 /nfs/dbraw/zinc/81/15/72/561811572.db2.gz MRVQZDYNHXWYFK-HNPDWQJRSA-N 1 1 675.921 4.143 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026667538 561811570 /nfs/dbraw/zinc/81/15/70/561811570.db2.gz MRVQZDYNHXWYFK-HNPDWQJRSA-N 1 1 675.921 4.143 1 0 KIAFMO CSC(=N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026674663 561813602 /nfs/dbraw/zinc/81/36/02/561813602.db2.gz GAGHIAAADSEPRP-NZHOUOPXSA-N 1 1 502.640 4.282 1 0 KIAFMO CSC(=N)Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026674663 561813600 /nfs/dbraw/zinc/81/36/00/561813600.db2.gz GAGHIAAADSEPRP-NZHOUOPXSA-N 1 1 502.640 4.282 1 0 KIAFMO COc1ccc2ccc(S(=O)(=O)N[C@@H](Cc3ccc4c(cc[nH+]c4N)c3)C(=O)N3CCC(C)CC3)cc2c1 ZINC000026717829 561814466 /nfs/dbraw/zinc/81/44/66/561814466.db2.gz PYEVADFTHRFWHY-MHZLTWQESA-N 1 1 532.666 4.127 1 0 KIAFMO COc1ccc2ccc(S(=O)(=O)N[C@H](Cc3ccc4c(cc[nH+]c4N)c3)C(=O)N3CCC(C)CC3)cc2c1 ZINC000026717835 561814506 /nfs/dbraw/zinc/81/45/06/561814506.db2.gz PYEVADFTHRFWHY-HHHXNRCGSA-N 1 1 532.666 4.127 1 0 KIAFMO CC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026735084 561817281 /nfs/dbraw/zinc/81/72/81/561817281.db2.gz FSZBMUOHARLJDN-AEAWEUCCSA-N 1 1 636.903 4.308 1 0 KIAFMO CC(=O)N[C@H](CS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026743353 561818378 /nfs/dbraw/zinc/81/83/78/561818378.db2.gz JCNVJZXOHPISSM-XGRSQTKDSA-N 1 1 704.934 4.002 1 0 KIAFMO CC(=O)N[C@H](CS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026743353 561818376 /nfs/dbraw/zinc/81/83/76/561818376.db2.gz JCNVJZXOHPISSM-XGRSQTKDSA-N 1 1 704.934 4.002 1 0 KIAFMO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026826991 561822115 /nfs/dbraw/zinc/82/21/15/561822115.db2.gz ULCLWNYLBCRHKU-ABANCFTRSA-N 1 1 701.909 4.240 1 0 KIAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000026827277 561822300 /nfs/dbraw/zinc/82/23/00/561822300.db2.gz DCQDUHWLKDMVNO-QRXXMQSMSA-N 1 1 707.872 4.005 1 0 KIAFMO COc1cc2c(cc1OC)CN(C(=O)CC[N@H+]1CCC[C@@H](CCCOc3ccc4c(c3)OCO4)C1)CC2 ZINC000026835362 561824056 /nfs/dbraw/zinc/82/40/56/561824056.db2.gz JQUZUJFSKYHOLT-NRFANRHFSA-N 1 1 510.631 4.279 1 0 KIAFMO COc1cc2c(cc1OC)CN(C(=O)CC[N@H+]1CCC[C@H](CCCOc3ccc4c(c3)OCO4)C1)CC2 ZINC000026835367 561824078 /nfs/dbraw/zinc/82/40/78/561824078.db2.gz JQUZUJFSKYHOLT-OAQYLSRUSA-N 1 1 510.631 4.279 1 0 KIAFMO CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026835569 561824229 /nfs/dbraw/zinc/82/42/29/561824229.db2.gz SXMCNHGNMUQWRG-LOFFRUMASA-N 1 1 721.899 4.395 1 0 KIAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccn1)C(C)C ZINC000026837761 561824913 /nfs/dbraw/zinc/82/49/13/561824913.db2.gz XEUOUBOMTOILCG-LOFFRUMASA-N 1 1 736.914 4.036 1 0 KIAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C ZINC000026837765 561824877 /nfs/dbraw/zinc/82/48/77/561824877.db2.gz SHXKZMZCHBAQLN-ABANCFTRSA-N 1 1 701.909 4.240 1 0 KIAFMO CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026840753 561825693 /nfs/dbraw/zinc/82/56/93/561825693.db2.gz ANUZDKWLVLGFCY-LOFFRUMASA-N 1 1 736.914 4.036 1 0 KIAFMO CCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026938296 561827866 /nfs/dbraw/zinc/82/78/66/561827866.db2.gz RSKTZPYYFJYNFU-DZVDWBIPSA-N 1 1 527.665 4.031 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026938367 561827884 /nfs/dbraw/zinc/82/78/84/561827884.db2.gz LYMBPRXTWAXSBF-YCXOGWGTSA-N 1 1 501.712 4.279 1 0 KIAFMO CCCCC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026940898 561828070 /nfs/dbraw/zinc/82/80/70/561828070.db2.gz XNAWXRGPRKPPIN-RVLOQZQWSA-N 1 1 541.692 4.422 1 0 KIAFMO CCCCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@H+]2CC1CC1)[C@H]3O5 ZINC000026954226 561829062 /nfs/dbraw/zinc/82/90/62/561829062.db2.gz UWPULSYJZRDDKB-YIAOTGBYSA-N 1 1 556.707 4.214 1 0 KIAFMO CS(=O)(=O)Nc1ccc(OCCC[N@@H+](Cc2ccc3cc(NS(C)(=O)=O)ccc3n2)C2CCCC2)cc1 ZINC000026967887 561830240 /nfs/dbraw/zinc/83/02/40/561830240.db2.gz MNNGMFLTXJFVMW-UHFFFAOYSA-N 1 1 546.715 4.192 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]3CCC[N@H+]3Cc3ccccn3)c2=O)c1 ZINC000026976379 561830889 /nfs/dbraw/zinc/83/08/89/561830889.db2.gz BIBBCWVYCRICCF-HSZRJFAPSA-N 1 1 532.591 4.380 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)C[N@@H+](C)CCc3ccccn3)c2=O)c1 ZINC000026984254 561831633 /nfs/dbraw/zinc/83/16/33/561831633.db2.gz GNENPVYUZQIQKL-FQEVSTJZSA-N 1 1 534.607 4.451 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)C[N@@H+](C)CCc3ccccn3)c2=O)c1 ZINC000026984603 561831762 /nfs/dbraw/zinc/83/17/62/561831762.db2.gz GNENPVYUZQIQKL-HXUWFJFHSA-N 1 1 534.607 4.451 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[N@@H+](C)CCc3ccccn3)c2=O)c1 ZINC000026988824 561832311 /nfs/dbraw/zinc/83/23/11/561832311.db2.gz OFKJZTZWKLEUHT-HXUWFJFHSA-N 1 1 534.607 4.279 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[N@@H+](C)CCc3ccccn3)c2=O)c1 ZINC000026988832 561832252 /nfs/dbraw/zinc/83/22/52/561832252.db2.gz OFKJZTZWKLEUHT-FQEVSTJZSA-N 1 1 534.607 4.279 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H]3CC[N@@H+](CCc4ccccn4)C3)c2=O)c1 ZINC000026989341 561832276 /nfs/dbraw/zinc/83/22/76/561832276.db2.gz BWXKRPNZKGJTSE-HSZRJFAPSA-N 1 1 532.591 4.205 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H]3CC[N@@H+](CCc4ccccn4)C3)c2=O)c1 ZINC000026989347 561832258 /nfs/dbraw/zinc/83/22/58/561832258.db2.gz BWXKRPNZKGJTSE-QHCPKHFHSA-N 1 1 532.591 4.205 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H]3CCC[N@H+]3Cc3ccccn3)c2=O)c1 ZINC000026991703 561832651 /nfs/dbraw/zinc/83/26/51/561832651.db2.gz BIBBCWVYCRICCF-QHCPKHFHSA-N 1 1 532.591 4.380 1 0 KIAFMO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cn(Cc2ccncc2)cn1 ZINC000026992590 561832808 /nfs/dbraw/zinc/83/28/08/561832808.db2.gz RAWIZCQQJHNVSV-JHIPEVQNSA-N 1 1 644.842 4.378 1 0 KIAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cn(Cc2ccncc2)cn1 ZINC000026992592 561832820 /nfs/dbraw/zinc/83/28/20/561832820.db2.gz RAWIZCQQJHNVSV-FWGANANOSA-N 1 1 644.842 4.378 1 0 KIAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cn(Cc2ccncc2)cn1 ZINC000026992592 561832819 /nfs/dbraw/zinc/83/28/19/561832819.db2.gz RAWIZCQQJHNVSV-FWGANANOSA-N 1 1 644.842 4.378 1 0 KIAFMO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccncc1 ZINC000026997224 561833569 /nfs/dbraw/zinc/83/35/69/561833569.db2.gz DHUULRFMFRMVOC-JHIPEVQNSA-N 1 1 644.842 4.378 1 0 KIAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccncc1 ZINC000026997229 561833548 /nfs/dbraw/zinc/83/35/48/561833548.db2.gz DHUULRFMFRMVOC-FWGANANOSA-N 1 1 644.842 4.378 1 0 KIAFMO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccncc1 ZINC000026998194 561833717 /nfs/dbraw/zinc/83/37/17/561833717.db2.gz YNIIFYQWNMHZBK-SJHFQCKASA-N 1 1 658.869 4.466 1 0 KIAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccncc1 ZINC000026998199 561833649 /nfs/dbraw/zinc/83/36/49/561833649.db2.gz YNIIFYQWNMHZBK-FRJUPVQCSA-N 1 1 658.869 4.466 1 0 KIAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)[N@H+]2CCCN1C(=O)c2ccccc2C1=O ZINC000027079861 561834894 /nfs/dbraw/zinc/83/48/94/561834894.db2.gz TVODIOKMRPQPDM-MKWLTTDUSA-N 1 1 558.416 4.087 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027083700 581099138 /nfs/dbraw/zinc/09/91/38/581099138.db2.gz ZAAHWJMMDZYDIP-KZUJILONSA-N 1 1 575.794 4.166 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027083707 561835630 /nfs/dbraw/zinc/83/56/30/561835630.db2.gz ZAAHWJMMDZYDIP-VRAYGLINSA-N 1 1 575.794 4.166 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027083715 581099112 /nfs/dbraw/zinc/09/91/12/581099112.db2.gz ZAAHWJMMDZYDIP-GQANVBLGSA-N 1 1 575.794 4.166 1 0 KIAFMO [NH3+][C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 ZINC000027085465 561836167 /nfs/dbraw/zinc/83/61/67/561836167.db2.gz ANHXZLCHKSNFNH-DQEYMECFSA-N 1 1 640.641 4.143 1 0 KIAFMO [NH3+][C@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 ZINC000027085473 561836156 /nfs/dbraw/zinc/83/61/56/561836156.db2.gz ANHXZLCHKSNFNH-RPBOFIJWSA-N 1 1 640.641 4.143 1 0 KIAFMO [NH3+][C@@H](CCC(=O)N[C@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 ZINC000027085483 561836175 /nfs/dbraw/zinc/83/61/75/561836175.db2.gz ANHXZLCHKSNFNH-LOSJGSFVSA-N 1 1 640.641 4.143 1 0 KIAFMO [NH3+][C@H](CCC(=O)N[C@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)OC1CCCCC1)C(=O)OC1CCCCC1 ZINC000027085492 561836171 /nfs/dbraw/zinc/83/61/71/561836171.db2.gz ANHXZLCHKSNFNH-JWQCQUIFSA-N 1 1 640.641 4.143 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027085814 561836325 /nfs/dbraw/zinc/83/63/25/561836325.db2.gz JFFVTCOLDQQGTQ-YZWOXGCDSA-N 1 1 663.863 4.020 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027085814 561836323 /nfs/dbraw/zinc/83/63/23/561836323.db2.gz JFFVTCOLDQQGTQ-YZWOXGCDSA-N 1 1 663.863 4.020 1 0 KIAFMO [NH3+]C1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CCSc2ccccn2)CC1 ZINC000027107104 561840446 /nfs/dbraw/zinc/84/04/46/561840446.db2.gz OZFZEVAJUHXLRM-YRCZKMHPSA-N 1 1 705.926 4.002 1 0 KIAFMO O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc2cc3nc(NC(=O)CN4CC[NH+](Cc5ccccc5)CC4)sc3cc2s1 ZINC000027108280 561840699 /nfs/dbraw/zinc/84/06/99/561840699.db2.gz VZFNDTKRQIFMHQ-UHFFFAOYSA-N 1 1 654.866 4.419 1 0 KIAFMO CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3ccc(O)cc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027180202 561841595 /nfs/dbraw/zinc/84/15/95/561841595.db2.gz LFUKVFUVWGOGAF-HVRNLMOBSA-N 1 1 736.980 4.412 1 0 KIAFMO CC(C)c1nc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3ccc(O)cc3)C[C@H]2C(=O)NC(C)(C)C)C(C)C)cs1 ZINC000027180202 561841593 /nfs/dbraw/zinc/84/15/93/561841593.db2.gz LFUKVFUVWGOGAF-HVRNLMOBSA-N 1 1 736.980 4.412 1 0 KIAFMO Nc1nc(N)c(Cc2cc(I)c(OCCCOc3ccccc3)c(I)c2)c[nH+]1 ZINC000027181662 561841859 /nfs/dbraw/zinc/84/18/59/561841859.db2.gz ZLTHPBDPJUEVAP-UHFFFAOYSA-N 1 1 602.214 4.289 1 0 KIAFMO CCN(CC)CC(=O)N(CC)c1nc2cc3nc(N(CC)C(=O)C[NH+](CC)CC)sc3cc2s1 ZINC000027191107 561843518 /nfs/dbraw/zinc/84/35/18/561843518.db2.gz QJQAGRZOPVWSRI-UHFFFAOYSA-N 1 1 504.726 4.295 1 0 KIAFMO O=C(Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)c1cccnc1 ZINC000027203732 561845583 /nfs/dbraw/zinc/84/55/83/561845583.db2.gz RXAHNSAFOCJMJJ-FIRIVFDPSA-N 1 1 623.157 4.078 1 0 KIAFMO O=C(Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccncc1 ZINC000027204306 561845616 /nfs/dbraw/zinc/84/56/16/561845616.db2.gz SODFAOSEJZTLKM-FIRIVFDPSA-N 1 1 623.157 4.078 1 0 KIAFMO Cc1c(COc2ccccc2N2CC[NH+](CCCNC(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)CC2)no[n+]1[O-] ZINC000027209674 561846865 /nfs/dbraw/zinc/84/68/65/561846865.db2.gz NXDKJWPLVWUKRS-UHFFFAOYSA-N 1 1 609.683 4.219 1 0 KIAFMO CCC(CC)N(Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)S(C)(=O)=O ZINC000027210442 561847052 /nfs/dbraw/zinc/84/70/52/561847052.db2.gz BPURAFMVJKOCRE-CZNDPXEESA-N 1 1 680.315 4.381 1 0 KIAFMO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027214671 561848063 /nfs/dbraw/zinc/84/80/63/561848063.db2.gz VLOYTQPFWGGMKU-IQKFOVTFSA-N 1 1 591.709 4.450 1 0 in-vivo KIAFMO CC(C)(C)CN(Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)S(C)(=O)=O ZINC000027214874 561848048 /nfs/dbraw/zinc/84/80/48/561848048.db2.gz CFIYEFIAVWETSG-ROJLCIKYSA-N 1 1 680.315 4.238 1 0 KIAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cn2cncn2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000027215891 561848399 /nfs/dbraw/zinc/84/83/99/561848399.db2.gz OVUPQOLZQPMWBW-FQLXRVMXSA-N 1 1 652.121 4.089 1 0 KIAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2c(Cn3cncn3)ccc3ccccc32)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000027299419 561848741 /nfs/dbraw/zinc/84/87/41/561848741.db2.gz SXSUTNPGZOKCAQ-CZNDPXEESA-N 1 1 634.184 4.224 1 0 KIAFMO COc1cc2c(cc1OCC(=O)N[C@H]1C[C@H]3C=Nc4cc(OCc5ccccc5)c(OC)cc4C(=O)N3C1)N=C[C@@H]1CCC[N@H+]1C2 ZINC000027307742 561850055 /nfs/dbraw/zinc/85/00/55/561850055.db2.gz AQEMUCMECMGBQB-GSDHBNRESA-N 1 1 623.710 4.457 1 0 KIAFMO COc1cc2c(cc1OCC(=O)N[C@H]1C[C@H]3C=Nc4cc(OCc5ccccc5)c(OC)cc4C(=O)N3C1)N=C[C@@H]1CCC[N@@H+]1C2 ZINC000027307742 561850054 /nfs/dbraw/zinc/85/00/54/561850054.db2.gz AQEMUCMECMGBQB-GSDHBNRESA-N 1 1 623.710 4.457 1 0 KIAFMO CC[NH+](CC)CC(=O)OCCN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O ZINC000027430003 561859038 /nfs/dbraw/zinc/85/90/38/561859038.db2.gz RSOKAKNJZRWVOW-GDLZYMKVSA-N 1 1 541.652 4.212 1 0 KIAFMO CC[NH+](CC)CC(=O)OCCN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O ZINC000027430008 561859094 /nfs/dbraw/zinc/85/90/94/561859094.db2.gz RSOKAKNJZRWVOW-LJAQVGFWSA-N 1 1 541.652 4.212 1 0 KIAFMO NC(=O)COCCN1CC[NH+]([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027517739 561861429 /nfs/dbraw/zinc/86/14/29/561861429.db2.gz AEGNWBZPYYNCRL-QFIPXVFZSA-N 1 1 533.513 4.102 1 0 KIAFMO NC(=O)COCCN1CC[NH+]([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027517740 561861607 /nfs/dbraw/zinc/86/16/07/561861607.db2.gz AEGNWBZPYYNCRL-JOCHJYFZSA-N 1 1 533.513 4.102 1 0 KIAFMO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000027522298 561864422 /nfs/dbraw/zinc/86/44/22/561864422.db2.gz KMZTXQXBVGHHBX-AJISXOSTSA-N 1 1 668.945 4.022 1 0 KIAFMO Cn1nnc(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)n1 ZINC000027522614 561864547 /nfs/dbraw/zinc/86/45/47/561864547.db2.gz HKMLEGOMDNGINA-FQLXRVMXSA-N 1 1 604.199 4.037 1 0 KIAFMO Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027523142 561864864 /nfs/dbraw/zinc/86/48/64/561864864.db2.gz IJYUZXAPJHBRJR-FQLXRVMXSA-N 1 1 604.199 4.037 1 0 KIAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cc2nn[nH]n2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000027523472 561865098 /nfs/dbraw/zinc/86/50/98/561865098.db2.gz MOSMZJCDBAMZFP-VSGBNLITSA-N 1 1 590.172 4.027 1 0 KIAFMO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526811 561866357 /nfs/dbraw/zinc/86/63/57/561866357.db2.gz RXBNQUXJGAHNLL-XMMPIXPASA-N 1 1 562.017 4.053 1 0 KIAFMO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526813 561866388 /nfs/dbraw/zinc/86/63/88/561866388.db2.gz RXBNQUXJGAHNLL-DEOSSOPVSA-N 1 1 562.017 4.053 1 0 KIAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1cccnc1)C(C)C ZINC000027549248 561867672 /nfs/dbraw/zinc/86/76/72/561867672.db2.gz LQASYEQHOVVPDN-LOFFRUMASA-N 1 1 736.914 4.036 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000027549253 561867593 /nfs/dbraw/zinc/86/75/93/561867593.db2.gz LKQKRDOPJZEJQV-GFOUJFQOSA-N 1 1 686.854 4.326 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000027549512 561867620 /nfs/dbraw/zinc/86/76/20/561867620.db2.gz ZVWSWYSIMOZTTG-YAQJXRFXSA-N 1 1 722.883 4.357 1 0 KIAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027550591 561867911 /nfs/dbraw/zinc/86/79/11/561867911.db2.gz JMWBXYKHUPFCLZ-MUUNZHRXSA-N 1 1 553.654 4.278 1 0 KIAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027550594 561867916 /nfs/dbraw/zinc/86/79/16/561867916.db2.gz JMWBXYKHUPFCLZ-NDEPHWFRSA-N 1 1 553.654 4.278 1 0 KIAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C ZINC000027551513 561868051 /nfs/dbraw/zinc/86/80/51/561868051.db2.gz OLNDFNPDSIYQPX-LOFFRUMASA-N 1 1 736.914 4.036 1 0 KIAFMO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OCCO)cc1)C(=O)NCc1ccccc1 ZINC000027552609 561868524 /nfs/dbraw/zinc/86/85/24/561868524.db2.gz KWAAYDBLVZPALJ-UPIAJAFBSA-N 1 1 710.872 4.262 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000027553093 561868579 /nfs/dbraw/zinc/86/85/79/561868579.db2.gz ZVWSWYSIMOZTTG-CXPJILFNSA-N 1 1 722.883 4.357 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000027553097 561868655 /nfs/dbraw/zinc/86/86/55/561868655.db2.gz ZVWSWYSIMOZTTG-RLLYISHSSA-N 1 1 722.883 4.357 1 0 KIAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000027553842 561868771 /nfs/dbraw/zinc/86/87/71/561868771.db2.gz OZXMTUBGYPYLSK-UREOVUFLSA-N 1 1 749.953 4.300 1 0 KIAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1cccnc1)C(C)C ZINC000027554234 561869010 /nfs/dbraw/zinc/86/90/10/561869010.db2.gz LQASYEQHOVVPDN-OWIVKRMQSA-N 1 1 736.914 4.036 1 0 KIAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027554792 561869207 /nfs/dbraw/zinc/86/92/07/561869207.db2.gz FJIFQKRKEGFBRT-SYQUUIDJSA-N 1 1 602.776 4.099 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)NC[C@@H](O)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000027555145 561869370 /nfs/dbraw/zinc/86/93/70/561869370.db2.gz TYVQFJGXWDAGDX-HKPHLGJNSA-N 1 1 696.845 4.043 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)NC[C@H](O)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000027555147 561869314 /nfs/dbraw/zinc/86/93/14/561869314.db2.gz TYVQFJGXWDAGDX-RHAMUZCRSA-N 1 1 696.845 4.043 1 0 KIAFMO COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1)CC2 ZINC000027562244 561870906 /nfs/dbraw/zinc/87/09/06/561870906.db2.gz DCDXTMCBYGXOBW-NBGIEHNGSA-N 1 1 506.624 4.265 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](CC2(c3ccccc3)CC2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027562971 561871200 /nfs/dbraw/zinc/87/12/00/561871200.db2.gz IUEDHFWXEUQWPL-NEVYJOAUSA-N 1 1 652.880 4.004 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027617493 561872142 /nfs/dbraw/zinc/87/21/42/561872142.db2.gz UBDJNLDVQBFRGZ-GZQRKPJDSA-N 1 1 670.826 4.357 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027617493 561872141 /nfs/dbraw/zinc/87/21/41/561872141.db2.gz UBDJNLDVQBFRGZ-GZQRKPJDSA-N 1 1 670.826 4.357 1 0 KIAFMO CCC(=O)CCN1CCN(c2nc(NCCc3ccc(O)cc3)[nH+]c(N(C)CCCc3ccc(Cl)cc3)n2)CC1 ZINC000027628084 561873415 /nfs/dbraw/zinc/87/34/15/561873415.db2.gz TUVJIFINMSRIRU-UHFFFAOYSA-N 1 1 566.150 4.445 1 0 KIAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000027638534 561874987 /nfs/dbraw/zinc/87/49/87/561874987.db2.gz LULHPKFDNFSVFW-RXVVDRJESA-N 1 1 561.512 4.460 1 0 KIAFMO Cc1ncc(/C=C/C=C/C(=O)NCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(CO)c1O ZINC000027656371 561877678 /nfs/dbraw/zinc/87/76/78/561877678.db2.gz SEPVNXLJOLWFBQ-GONBZBRSSA-N 1 1 540.708 4.461 1 0 KIAFMO Cc1nc2cc3c4c(cccc4C(=O)N(CCN(C)CC[N@@H+](C)CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027656919 561877775 /nfs/dbraw/zinc/87/77/75/561877775.db2.gz GPHJRLRNOLITHM-UHFFFAOYSA-N 1 1 642.720 4.118 1 0 KIAFMO Cc1ncc(/C=C/C=C/C(=O)NCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(CO)c1O ZINC000027657382 561878056 /nfs/dbraw/zinc/87/80/56/561878056.db2.gz ORXZURZEIHERAF-BVXMOGEKSA-N 1 1 526.681 4.071 1 0 KIAFMO COC(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2OC)C1 ZINC000027704769 561878664 /nfs/dbraw/zinc/87/86/64/561878664.db2.gz FOLOWNIJLMHEPJ-CUBQBAPOSA-N 1 1 558.679 4.455 1 0 KIAFMO COC(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2OC)C1 ZINC000027704769 561878662 /nfs/dbraw/zinc/87/86/62/561878662.db2.gz FOLOWNIJLMHEPJ-CUBQBAPOSA-N 1 1 558.679 4.455 1 0 KIAFMO C[C@@H](NC(=O)c1ccsc1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027721932 561880606 /nfs/dbraw/zinc/88/06/06/561880606.db2.gz KKGIXXSEDMOFHD-HXUWFJFHSA-N 1 1 563.655 4.336 1 0 KIAFMO CC[C@@]12C(=O)N(C)[C@@]3(CCC(C)(C)[C@]4(CNc5c4ccc4c5OC=CC(C)(C)O4)C3)C[N@@H+]1CC[C@@]2(C)O ZINC000027722535 561880747 /nfs/dbraw/zinc/88/07/47/561880747.db2.gz ZHCYNVOXSFDSQB-XAZDILKDSA-N 1 1 509.691 4.440 1 0 KIAFMO CC(C)[C@@H]([NH2+]CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1Cc2ccccc2C1)C(=O)C(F)(F)F ZINC000027724384 561880816 /nfs/dbraw/zinc/88/08/16/561880816.db2.gz OZAZAELQXITESY-YADHBBJMSA-N 1 1 527.628 4.277 1 0 KIAFMO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH2+][C@H](C(=O)C(F)(F)F)C(C)C)C1Cc2ccccc2C1 ZINC000027724390 561880836 /nfs/dbraw/zinc/88/08/36/561880836.db2.gz OZAZAELQXITESY-VXKWHMMOSA-N 1 1 527.628 4.277 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc([C@H](C)NC(=O)OC(C)(C)C)n3)c(F)c2)CC1 ZINC000027732976 561881408 /nfs/dbraw/zinc/88/14/08/561881408.db2.gz KQMLIJMCXXSYMR-LEWJYISDSA-N 1 1 628.702 4.176 1 0 KIAFMO C[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027733254 561881547 /nfs/dbraw/zinc/88/15/47/561881547.db2.gz GOPBYLBBVXWEQA-OAQYLSRUSA-N 1 1 581.664 4.479 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027733992 561881565 /nfs/dbraw/zinc/88/15/65/561881565.db2.gz IDONGVNKVPYXAW-OAQYLSRUSA-N 1 1 561.614 4.257 1 0 KIAFMO C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734711 561881732 /nfs/dbraw/zinc/88/17/32/561881732.db2.gz JDMGMTPOIHYIKK-OAQYLSRUSA-N 1 1 581.664 4.479 1 0 KIAFMO C[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734792 561881774 /nfs/dbraw/zinc/88/17/74/561881774.db2.gz LSLKPVQOFVGVSL-HSZRJFAPSA-N 1 1 606.743 4.406 1 0 KIAFMO C[C@@H](NC(=O)c1ccc(O)cc1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735177 561881741 /nfs/dbraw/zinc/88/17/41/561881741.db2.gz BAOSTAGMWRQRGC-OAQYLSRUSA-N 1 1 579.673 4.046 1 0 KIAFMO C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735234 561881755 /nfs/dbraw/zinc/88/17/55/561881755.db2.gz JCVAZIMPWSIVFG-OAQYLSRUSA-N 1 1 581.664 4.479 1 0 KIAFMO CC(C)CC(=O)N[C@H](C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735380 561881687 /nfs/dbraw/zinc/88/16/87/561881687.db2.gz NIBAIPSQQLCTGH-OAQYLSRUSA-N 1 1 543.684 4.072 1 0 KIAFMO COc1cccc(C(=O)N[C@H](C)C(=O)N2CC[NH+](CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)c1 ZINC000027735614 561881849 /nfs/dbraw/zinc/88/18/49/561881849.db2.gz NUJZKQGZZSYKDJ-JOCHJYFZSA-N 1 1 593.700 4.349 1 0 KIAFMO COc1ccccc1C(=O)N[C@H](C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735628 561881885 /nfs/dbraw/zinc/88/18/85/561881885.db2.gz GATNKHOEINGPKG-JOCHJYFZSA-N 1 1 593.700 4.349 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(Cc4ccccc4)n3)c(F)c2)CC1 ZINC000027735804 561881817 /nfs/dbraw/zinc/88/18/17/561881817.db2.gz NZIWWXXYJYDWBM-JOCHJYFZSA-N 1 1 575.641 4.181 1 0 KIAFMO C[C@@H](NC(=O)c1cccc(N(C)C)c1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735809 561881889 /nfs/dbraw/zinc/88/18/89/561881889.db2.gz BYZDFNOLEVZVON-HSZRJFAPSA-N 1 1 606.743 4.406 1 0 KIAFMO C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027736350 561881859 /nfs/dbraw/zinc/88/18/59/561881859.db2.gz DLLYJIKYBNYCMK-JOCHJYFZSA-N 1 1 557.626 4.274 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc([C@@H](C)NC(=O)OC(C)(C)C)n3)c(F)c2)CC1 ZINC000027736791 561882047 /nfs/dbraw/zinc/88/20/47/561882047.db2.gz KQMLIJMCXXSYMR-NHCUHLMSSA-N 1 1 628.702 4.176 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027736837 561881995 /nfs/dbraw/zinc/88/19/95/561881995.db2.gz IDWWRQHTZWPOJT-OAQYLSRUSA-N 1 1 567.662 4.323 1 0 KIAFMO CC(C)CCC(=O)N[C@H](C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027738248 561882126 /nfs/dbraw/zinc/88/21/26/561882126.db2.gz UDXQIFUTTZBFQK-JOCHJYFZSA-N 1 1 557.711 4.462 1 0 KIAFMO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027738256 561882151 /nfs/dbraw/zinc/88/21/51/561882151.db2.gz NDUJIJJACZPXFX-OAQYLSRUSA-N 1 1 557.711 4.462 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(-c4cccs4)n3)c(F)c2)CC1 ZINC000027738533 561882145 /nfs/dbraw/zinc/88/21/45/561882145.db2.gz YVNSBLCTIQVJBN-LJQANCHMSA-N 1 1 567.643 4.319 1 0 KIAFMO CC(C)CCC(=O)N[C@H](C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027739043 561882337 /nfs/dbraw/zinc/88/23/37/561882337.db2.gz RPZLXVIQTJNPEY-JOCHJYFZSA-N 1 1 551.663 4.397 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CCc4ccccc4)n3)c(F)c2)CC1 ZINC000027739150 561882347 /nfs/dbraw/zinc/88/23/47/561882347.db2.gz PLQMHKOGESLEAH-HSZRJFAPSA-N 1 1 589.668 4.376 1 0 KIAFMO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027739191 561882325 /nfs/dbraw/zinc/88/23/25/561882325.db2.gz XWJALRTWHRVVPD-OAQYLSRUSA-N 1 1 549.647 4.151 1 0 KIAFMO C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027739338 561882292 /nfs/dbraw/zinc/88/22/92/561882292.db2.gz WKWJUQTTZUDKNB-OAQYLSRUSA-N 1 1 557.711 4.462 1 0 KIAFMO CC(C)CC(=O)N[C@H](C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027739720 561882341 /nfs/dbraw/zinc/88/23/41/561882341.db2.gz ARDDCPMFWUUFHR-OAQYLSRUSA-N 1 1 537.636 4.007 1 0 KIAFMO CC(C)C(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027740128 561882298 /nfs/dbraw/zinc/88/22/98/561882298.db2.gz NLKWDBAORLNPOM-OAQYLSRUSA-N 1 1 543.684 4.072 1 0 KIAFMO COc1ccc(C(=O)N[C@H](C)C(=O)N2CC[NH+](CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1 ZINC000027741034 561882528 /nfs/dbraw/zinc/88/25/28/561882528.db2.gz ORJPRSWEDMEHOZ-JOCHJYFZSA-N 1 1 593.700 4.349 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(-c4ccsc4)n3)c(F)c2)CC1 ZINC000027741332 561882584 /nfs/dbraw/zinc/88/25/84/561882584.db2.gz OXUHVZMFCIGLOI-LJQANCHMSA-N 1 1 567.643 4.319 1 0 KIAFMO COc1ccc(C(=O)N[C@H](C)C(=O)N2CC[NH+](CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1OC ZINC000027741717 561882652 /nfs/dbraw/zinc/88/26/52/561882652.db2.gz GCUDDJNJGDEKFU-JOCHJYFZSA-N 1 1 623.726 4.357 1 0 KIAFMO CCC(CC)c1nc(-c2ccc(OCCC[N@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000027742647 561882590 /nfs/dbraw/zinc/88/25/90/561882590.db2.gz QZNJPARICZTXNN-HXUWFJFHSA-N 1 1 555.651 4.494 1 0 KIAFMO C[C@@H](NC(=O)c1cccs1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027742924 561882749 /nfs/dbraw/zinc/88/27/49/561882749.db2.gz IXXJRACDUQTBHS-HXUWFJFHSA-N 1 1 563.655 4.336 1 0 KIAFMO C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027743006 561882753 /nfs/dbraw/zinc/88/27/53/561882753.db2.gz RYHRAWNYGIQDOB-HXUWFJFHSA-N 1 1 543.684 4.072 1 0 KIAFMO CCCCC(=O)N[C@H](C)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027743028 561882799 /nfs/dbraw/zinc/88/27/99/561882799.db2.gz NNOTZNYAHCYJMR-OAQYLSRUSA-N 1 1 543.684 4.216 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC(C)(C)C)n3)c(F)c2)CC1 ZINC000027743928 561882827 /nfs/dbraw/zinc/88/28/27/561882827.db2.gz QOCWCOZYHILLNX-HXUWFJFHSA-N 1 1 555.651 4.179 1 0 KIAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(C4CCCC4)n3)c(F)c2)CC1 ZINC000027744120 561882757 /nfs/dbraw/zinc/88/27/57/561882757.db2.gz AHOYJVPDAHEACX-HXUWFJFHSA-N 1 1 553.635 4.248 1 0 KIAFMO CC(C)CC(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027744289 561882809 /nfs/dbraw/zinc/88/28/09/561882809.db2.gz BRGMVVCLDYDRKL-JOCHJYFZSA-N 1 1 557.711 4.462 1 0 KIAFMO C[C@H](C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000027748631 561883072 /nfs/dbraw/zinc/88/30/72/561883072.db2.gz XWZIDQGZIJLOBZ-GFWOCNNDSA-N 1 1 668.883 4.368 1 0 KIAFMO COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(C)=O ZINC000027853814 561886380 /nfs/dbraw/zinc/88/63/80/561886380.db2.gz FAIPAHUUUZBARZ-SSEXGKCCSA-N 1 1 567.734 4.070 1 0 KIAFMO COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C(C)=O ZINC000027853821 561886304 /nfs/dbraw/zinc/88/63/04/561886304.db2.gz FAIPAHUUUZBARZ-PMERELPUSA-N 1 1 567.734 4.070 1 0 KIAFMO CCOC(=O)COc1ccc2c(c1)C[C@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027863817 561887435 /nfs/dbraw/zinc/88/74/35/561887435.db2.gz OPAXHYJUSCNJMJ-GDLZYMKVSA-N 1 1 593.790 4.309 1 0 KIAFMO CCOC(=O)COc1ccc2c(c1)C[C@@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027863824 561887467 /nfs/dbraw/zinc/88/74/67/561887467.db2.gz OPAXHYJUSCNJMJ-LJAQVGFWSA-N 1 1 593.790 4.309 1 0 KIAFMO COc1cc2c(cc1OC)C[C@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027864690 561887547 /nfs/dbraw/zinc/88/75/47/561887547.db2.gz JQVWVHVZZVCIDS-HHHXNRCGSA-N 1 1 551.753 4.385 1 0 KIAFMO COc1cc2c(cc1OC)C[C@@H]([NH2+]CC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027864699 561887539 /nfs/dbraw/zinc/88/75/39/561887539.db2.gz JQVWVHVZZVCIDS-MHZLTWQESA-N 1 1 551.753 4.385 1 0 KIAFMO CC(C)Oc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000027866622 561887698 /nfs/dbraw/zinc/88/76/98/561887698.db2.gz LEVZVXAGXROUGG-VSGBNLITSA-N 1 1 561.126 4.218 1 0 KIAFMO CCCCC(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027872940 561888420 /nfs/dbraw/zinc/88/84/20/561888420.db2.gz IVZDBPFZFBRDKW-PKTZIBPZSA-N 1 1 555.741 4.496 1 0 KIAFMO CCCCC(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027872940 561888419 /nfs/dbraw/zinc/88/84/19/561888419.db2.gz IVZDBPFZFBRDKW-PKTZIBPZSA-N 1 1 555.741 4.496 1 0 KIAFMO Cc1cccnc1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027873475 561888430 /nfs/dbraw/zinc/88/84/30/561888430.db2.gz KGKNJVGFOOYEAC-RPWUZVMVSA-N 1 1 590.746 4.323 1 0 KIAFMO Cc1cccnc1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000027873475 561888429 /nfs/dbraw/zinc/88/84/29/561888429.db2.gz KGKNJVGFOOYEAC-RPWUZVMVSA-N 1 1 590.746 4.323 1 0 KIAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3ccccc3N)CC2)C[C@H]1C ZINC000027875582 561888504 /nfs/dbraw/zinc/88/85/04/561888504.db2.gz WWNVCVAKEYMCET-PKTZIBPZSA-N 1 1 590.746 4.202 1 0 KIAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3ccccc3N)CC2)C[C@H]1C ZINC000027875582 561888503 /nfs/dbraw/zinc/88/85/03/561888503.db2.gz WWNVCVAKEYMCET-PKTZIBPZSA-N 1 1 590.746 4.202 1 0 KIAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3cccc4c3OCO4)CC2)C[C@H]1C ZINC000027875977 561888662 /nfs/dbraw/zinc/88/86/62/561888662.db2.gz HOOSOKYKVZPGIB-PKTZIBPZSA-N 1 1 619.740 4.349 1 0 KIAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3cccc4c3OCO4)CC2)C[C@H]1C ZINC000027875977 561888661 /nfs/dbraw/zinc/88/86/61/561888661.db2.gz HOOSOKYKVZPGIB-PKTZIBPZSA-N 1 1 619.740 4.349 1 0 KIAFMO COc1ccc2c(c1)[C@](O)(C[NH2+]CCC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027885627 561889419 /nfs/dbraw/zinc/88/94/19/561889419.db2.gz YZSVCBZUOHOGLB-WJOKGBTCSA-N 1 1 551.753 4.043 1 0 KIAFMO COc1ccc2c(c1)[C@@](O)(C[NH2+]CCC1CCN(CCNS(=O)(=O)c3cccc4ccccc43)CC1)CCC2 ZINC000027885634 561889474 /nfs/dbraw/zinc/88/94/74/561889474.db2.gz YZSVCBZUOHOGLB-HKBQPEDESA-N 1 1 551.753 4.043 1 0 KIAFMO COc1cc(C(=O)O[C@@H](CC[NH+]2CCN(c3ccccc3)CC2)C(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000027900623 561890839 /nfs/dbraw/zinc/89/08/39/561890839.db2.gz JJNZZDBCXKHKKK-VWLOTQADSA-N 1 1 536.600 4.472 1 0 KIAFMO COc1cc(C(=O)O[C@H](CC[NH+]2CCN(c3ccccc3)CC2)C(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000027900629 561890899 /nfs/dbraw/zinc/89/08/99/561890899.db2.gz JJNZZDBCXKHKKK-RUZDIDTESA-N 1 1 536.600 4.472 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000027903536 561891209 /nfs/dbraw/zinc/89/12/09/561891209.db2.gz ZAAHWJMMDZYDIP-AIJSXJMQSA-N 1 1 575.794 4.166 1 0 KIAFMO CC(C)OC(=O)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000027989859 561892844 /nfs/dbraw/zinc/89/28/44/561892844.db2.gz KXXFHCZMQSDTGH-UHFFFAOYSA-N 1 1 530.643 4.101 1 0 KIAFMO C[NH+]1CCN(C(=O)CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCCC3)CC2)CC1 ZINC000027995710 561893791 /nfs/dbraw/zinc/89/37/91/561893791.db2.gz RADFHKFDHAMEFP-HSZRJFAPSA-N 1 1 537.532 4.219 1 0 KIAFMO C[NH+]1CCN(C(=O)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCCC3)CC2)CC1 ZINC000027995717 561893801 /nfs/dbraw/zinc/89/38/01/561893801.db2.gz RADFHKFDHAMEFP-QHCPKHFHSA-N 1 1 537.532 4.219 1 0 KIAFMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000027996035 561893936 /nfs/dbraw/zinc/89/39/36/561893936.db2.gz FFALBTXIOBRXDI-ZJSXRUAMSA-N 1 1 532.914 4.107 1 0 KIAFMO C[N@H+]1CCC[C@H](NC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000027996042 561893910 /nfs/dbraw/zinc/89/39/10/561893910.db2.gz FFALBTXIOBRXDI-XUZZJYLKSA-N 1 1 532.914 4.107 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCSC1 ZINC000027996204 561893923 /nfs/dbraw/zinc/89/39/23/561893923.db2.gz IXEYLCQSFFPEAX-HBEKHWMPSA-N 1 1 529.791 4.013 1 0 KIAFMO COc1ccc(CC[N@@H+](C)CCOc2ccc(NS(C)(=O)=O)cc2OCc2ccccc2)cc1OC ZINC000028000411 561894603 /nfs/dbraw/zinc/89/46/03/561894603.db2.gz YTAJTMPBUANDJE-UHFFFAOYSA-N 1 1 514.644 4.208 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCSC1 ZINC000028003609 561895249 /nfs/dbraw/zinc/89/52/49/561895249.db2.gz IXEYLCQSFFPEAX-YECVLQETSA-N 1 1 529.791 4.013 1 0 KIAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)C1CCOCC1 ZINC000028011505 561896511 /nfs/dbraw/zinc/89/65/11/561896511.db2.gz UPKJJEYRBBFKPJ-NSOVKSMOSA-N 1 1 551.728 4.373 1 0 KIAFMO Cc1nc2cnccc2n1CC[NH+]1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 ZINC000028023000 561898832 /nfs/dbraw/zinc/89/88/32/561898832.db2.gz QPAOGZQDABNROT-UHFFFAOYSA-N 1 1 553.642 4.488 1 0 KIAFMO COc1cc2c(cc1OC)CC(=O)N(CCC[N@@H+](C)CCc1c[nH]c3ccc(Br)cc13)CC2 ZINC000028091551 561899905 /nfs/dbraw/zinc/89/99/05/561899905.db2.gz JXVJQVNCEKQSRP-UHFFFAOYSA-N 1 1 514.464 4.439 1 0 KIAFMO CCOC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OCC)(C1=O)[C@@H](c1ccc(Cl)cc1)N(C)[C@@H]2c1ccc(Cl)cc1 ZINC000028092732 561900222 /nfs/dbraw/zinc/90/02/22/561900222.db2.gz QRAPNWUNVRQZHN-VLHNATBGSA-N 1 1 533.452 4.335 1 0 KIAFMO COc1cc2scc(CC[N@H+](C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC ZINC000028093319 561900371 /nfs/dbraw/zinc/90/03/71/561900371.db2.gz OXBCVVAXJMRDEY-UHFFFAOYSA-N 1 1 512.672 4.428 1 0 KIAFMO C[N@H+]1CCC[C@H]1CCNCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000028098178 561901127 /nfs/dbraw/zinc/90/11/27/561901127.db2.gz YZWIGOVHAHQNDZ-DEOSSOPVSA-N 1 1 645.459 4.302 1 0 KIAFMO COc1ccc2ccc(S(=O)(=O)N[C@@H](Cc3ccc4cc[nH+]c(N)c4c3)C(=O)N3CCC(C)CC3)cc2c1 ZINC000028110160 561903029 /nfs/dbraw/zinc/90/30/29/561903029.db2.gz IEUYOUGDJWEGKK-MHZLTWQESA-N 1 1 532.666 4.127 1 0 KIAFMO COc1ccc2ccc(S(=O)(=O)N[C@H](Cc3ccc4cc[nH+]c(N)c4c3)C(=O)N3CCC(C)CC3)cc2c1 ZINC000028110166 561903034 /nfs/dbraw/zinc/90/30/34/561903034.db2.gz IEUYOUGDJWEGKK-HHHXNRCGSA-N 1 1 532.666 4.127 1 0 KIAFMO C/C(=C\c1ccccc1)C[NH+]1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 ZINC000028111658 561903130 /nfs/dbraw/zinc/90/31/30/561903130.db2.gz OLAGLCHGSUYVBF-HXSUMWGRSA-N 1 1 524.621 4.133 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[N@@H+](C)Cc3ccccn3)c2=O)c1F ZINC000028120212 561904345 /nfs/dbraw/zinc/90/43/45/561904345.db2.gz GNHTXKCFQXOQTQ-SFHVURJKSA-N 1 1 538.570 4.375 1 0 KIAFMO CC(C)(Nc1ccccc1Oc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028128140 561905210 /nfs/dbraw/zinc/90/52/10/561905210.db2.gz XXUNGTTWGJQVKU-MUUNZHRXSA-N 1 1 544.696 4.235 1 0 KIAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCS(=O)(=O)N3CCCC3)C2)C1 ZINC000028129229 561905358 /nfs/dbraw/zinc/90/53/58/561905358.db2.gz RAVNZMCDLGQATP-VSGBNLITSA-N 1 1 635.753 4.070 1 0 KIAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](CCS(=O)(=O)N3CCCC3)C2)C1 ZINC000028129229 561905357 /nfs/dbraw/zinc/90/53/57/561905357.db2.gz RAVNZMCDLGQATP-VSGBNLITSA-N 1 1 635.753 4.070 1 0 KIAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCS(=O)(=O)N3CCCC3)C2)C1 ZINC000028129236 561905386 /nfs/dbraw/zinc/90/53/86/561905386.db2.gz RAVNZMCDLGQATP-WUFINQPMSA-N 1 1 635.753 4.070 1 0 KIAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCS(=O)(=O)N3CCCC3)C2)C1 ZINC000028129236 561905384 /nfs/dbraw/zinc/90/53/84/561905384.db2.gz RAVNZMCDLGQATP-WUFINQPMSA-N 1 1 635.753 4.070 1 0 KIAFMO CC(C)(Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028130963 561905679 /nfs/dbraw/zinc/90/56/79/561905679.db2.gz XMVGCUFAWKLZGS-LJAQVGFWSA-N 1 1 529.681 4.077 1 0 KIAFMO CC(C)(Oc1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028132528 561905918 /nfs/dbraw/zinc/90/59/18/561905918.db2.gz MQECEGKYFAVSKQ-LJAQVGFWSA-N 1 1 529.681 4.077 1 0 KIAFMO COc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CCN(C(=O)N(C)[C@@H]4CC[N@H+](C5CCC(C)(C)CC5)C4)C3)cc2)nn1 ZINC000028132984 561906024 /nfs/dbraw/zinc/90/60/24/561906024.db2.gz DHPBRSFFIAFGAK-CLJLJLNGSA-N 1 1 548.732 4.393 1 0 KIAFMO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@@H]4CC[N@H+](C5CCC(C)(C)CC5)C4)C3)cc2)nn1 ZINC000028132991 561906030 /nfs/dbraw/zinc/90/60/30/561906030.db2.gz DHPBRSFFIAFGAK-IZZNHLLZSA-N 1 1 548.732 4.393 1 0 KIAFMO COc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CCN(C(=O)N(C)[C@H]4CC[N@H+](C5CCC(C)(C)CC5)C4)C3)cc2)nn1 ZINC000028132999 561906062 /nfs/dbraw/zinc/90/60/62/561906062.db2.gz DHPBRSFFIAFGAK-FTJBHMTQSA-N 1 1 548.732 4.393 1 0 KIAFMO COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N(C)[C@H]4CC[N@H+](C5CCC(C)(C)CC5)C4)C3)cc2)nn1 ZINC000028133005 561906038 /nfs/dbraw/zinc/90/60/38/561906038.db2.gz DHPBRSFFIAFGAK-UIOOFZCWSA-N 1 1 548.732 4.393 1 0 KIAFMO O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028133232 561906014 /nfs/dbraw/zinc/90/60/14/561906014.db2.gz SILRXFHWSPZKLR-HHHXNRCGSA-N 1 1 520.605 4.189 1 0 KIAFMO O=C(Nc1ccc(OCc2cc(F)cc(F)c2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028133894 561906233 /nfs/dbraw/zinc/90/62/33/561906233.db2.gz MXLKWPNPHPHNAA-MUUNZHRXSA-N 1 1 552.622 4.115 1 0 KIAFMO CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1)c1cccc(Oc2cccc(F)c2)c1 ZINC000028134602 561906349 /nfs/dbraw/zinc/90/63/49/561906349.db2.gz FENAWYROLNYVEY-NDEPHWFRSA-N 1 1 534.632 4.214 1 0 KIAFMO O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028134649 561906275 /nfs/dbraw/zinc/90/62/75/561906275.db2.gz JINMJMRQNUSOIK-HHHXNRCGSA-N 1 1 502.615 4.050 1 0 KIAFMO Cc1ccc(COc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028136924 561906708 /nfs/dbraw/zinc/90/67/08/561906708.db2.gz CTKYBSXOAQSROD-GDLZYMKVSA-N 1 1 530.669 4.145 1 0 KIAFMO CN(C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1)c1cccc(Oc2cccc(F)c2)c1 ZINC000028137853 561906944 /nfs/dbraw/zinc/90/69/44/561906944.db2.gz FENAWYROLNYVEY-MUUNZHRXSA-N 1 1 534.632 4.214 1 0 KIAFMO O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028137867 561906948 /nfs/dbraw/zinc/90/69/48/561906948.db2.gz IOSMSZSIGNYMDR-MHZLTWQESA-N 1 1 502.615 4.050 1 0 KIAFMO CC(C)CC[NH2+]CC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028232804 561909313 /nfs/dbraw/zinc/90/93/13/561909313.db2.gz WLIIIXJGJDXNEA-YDPTYEFTSA-N 1 1 654.897 4.415 1 0 KIAFMO Cc1cc(C(=O)Nc2ccc(-n3ccnc3C[NH+](C)C)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1 ZINC000028237974 561910124 /nfs/dbraw/zinc/91/01/24/561910124.db2.gz DPLRRZRCKVWXJJ-UHFFFAOYSA-N 1 1 546.628 4.376 1 0 KIAFMO CC(C)CC[NH2+]C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028238171 561910080 /nfs/dbraw/zinc/91/00/80/561910080.db2.gz PACVOWSOSKLHLK-ORYMTKCHSA-N 1 1 640.870 4.025 1 0 KIAFMO CCOc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000028257151 561911628 /nfs/dbraw/zinc/91/16/28/561911628.db2.gz NEBRVJPYFRVBHS-UHFFFAOYSA-N 1 1 534.607 4.280 1 0 KIAFMO Cc1c(-c2ccc3c(c2)OC(F)(F)O3)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028257240 561911576 /nfs/dbraw/zinc/91/15/76/561911576.db2.gz GTKRATWSXSFSLO-UHFFFAOYSA-N 1 1 570.543 4.203 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)c1F ZINC000028259395 561912055 /nfs/dbraw/zinc/91/20/55/561912055.db2.gz ADYYHGJMWPGLSW-UHFFFAOYSA-N 1 1 538.570 4.029 1 0 KIAFMO COCc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)c1 ZINC000028259750 561912026 /nfs/dbraw/zinc/91/20/26/561912026.db2.gz JBHULFMIYCSOJN-UHFFFAOYSA-N 1 1 534.607 4.028 1 0 KIAFMO COCc1ccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC[N@@H+](C)CCc3ccccn3)c2=O)cc1 ZINC000028260034 561912017 /nfs/dbraw/zinc/91/20/17/561912017.db2.gz TUQMGXVTSMZXMC-UHFFFAOYSA-N 1 1 534.607 4.028 1 0 KIAFMO CC(C)(Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028330680 561912722 /nfs/dbraw/zinc/91/27/22/561912722.db2.gz XMVGCUFAWKLZGS-GDLZYMKVSA-N 1 1 529.681 4.077 1 0 KIAFMO O=C(Nc1ccccc1Oc1ccccc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028331734 561912847 /nfs/dbraw/zinc/91/28/47/561912847.db2.gz CTXVGGUZZFAQMB-AREMUKBSSA-N 1 1 502.615 4.050 1 0 KIAFMO CCc1cc(NC(=O)NC[C@H]2C[N@@H+](CCc3ccc(F)cc3)CC[C@@H]2C(F)(F)F)cc(-c2nnnn2C)c1 ZINC000028332593 561912959 /nfs/dbraw/zinc/91/29/59/561912959.db2.gz PIGWHTLHRNYGHV-REWPJTCUSA-N 1 1 533.574 4.443 1 0 KIAFMO CC(C)(Oc1ccccc1-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028332626 561912906 /nfs/dbraw/zinc/91/29/06/561912906.db2.gz YDXOCMSAXGPCJQ-MUUNZHRXSA-N 1 1 529.681 4.077 1 0 KIAFMO CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000028333885 561913078 /nfs/dbraw/zinc/91/30/78/561913078.db2.gz ANXVEUKNBZKYSA-NDEPHWFRSA-N 1 1 516.642 4.075 1 0 KIAFMO O=C(Nc1ccc(OCc2cc(F)cc(F)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028334721 561913191 /nfs/dbraw/zinc/91/31/91/561913191.db2.gz MXLKWPNPHPHNAA-NDEPHWFRSA-N 1 1 552.622 4.115 1 0 KIAFMO O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028336591 561913311 /nfs/dbraw/zinc/91/33/11/561913311.db2.gz CKNCGPICNNNDLB-MHZLTWQESA-N 1 1 520.605 4.189 1 0 KIAFMO O=C(Nc1ccc(OCc2cccc(Cl)c2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028336624 561913444 /nfs/dbraw/zinc/91/34/44/561913444.db2.gz FGVLMFXEISDVJN-MUUNZHRXSA-N 1 1 551.087 4.490 1 0 KIAFMO COc1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028338469 561913761 /nfs/dbraw/zinc/91/37/61/561913761.db2.gz PHYXOBLODUURFV-NDEPHWFRSA-N 1 1 532.641 4.059 1 0 KIAFMO O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028338588 561913745 /nfs/dbraw/zinc/91/37/45/561913745.db2.gz IOSMSZSIGNYMDR-HHHXNRCGSA-N 1 1 502.615 4.050 1 0 KIAFMO CC(C)(Nc1ccccc1Oc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028339889 561913887 /nfs/dbraw/zinc/91/38/87/561913887.db2.gz XXUNGTTWGJQVKU-NDEPHWFRSA-N 1 1 544.696 4.235 1 0 KIAFMO Cc1ccc(COc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028340620 561914039 /nfs/dbraw/zinc/91/40/39/561914039.db2.gz CTKYBSXOAQSROD-LJAQVGFWSA-N 1 1 530.669 4.145 1 0 KIAFMO O=C(Nc1ccc(OCc2cccc(Cl)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028340749 561914015 /nfs/dbraw/zinc/91/40/15/561914015.db2.gz FGVLMFXEISDVJN-NDEPHWFRSA-N 1 1 551.087 4.490 1 0 KIAFMO O=C(Nc1ccccc1Oc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028340868 561913992 /nfs/dbraw/zinc/91/39/92/561913992.db2.gz CTXVGGUZZFAQMB-SANMLTNESA-N 1 1 502.615 4.050 1 0 KIAFMO CC(C)(Oc1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028340988 561913973 /nfs/dbraw/zinc/91/39/73/561913973.db2.gz YDXOCMSAXGPCJQ-NDEPHWFRSA-N 1 1 529.681 4.077 1 0 KIAFMO O=C(C[NH+]1CCCCC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028341229 561914142 /nfs/dbraw/zinc/91/41/42/561914142.db2.gz BRINYKVTOUEAPK-HOOSLVGPSA-N 1 1 508.109 4.298 1 0 KIAFMO O=C(C[NH+]1CCCCC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028341236 561914076 /nfs/dbraw/zinc/91/40/76/561914076.db2.gz BRINYKVTOUEAPK-RHGYRFJNSA-N 1 1 508.109 4.298 1 0 KIAFMO CN(C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000028341362 561914154 /nfs/dbraw/zinc/91/41/54/561914154.db2.gz ANXVEUKNBZKYSA-MUUNZHRXSA-N 1 1 516.642 4.075 1 0 KIAFMO CC(C)(Oc1cccc(-c2ccccc2)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028341545 561914137 /nfs/dbraw/zinc/91/41/37/561914137.db2.gz MQECEGKYFAVSKQ-GDLZYMKVSA-N 1 1 529.681 4.077 1 0 KIAFMO CN(C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1)c1cccc(Oc2ccccc2)c1 ZINC000028342554 561914392 /nfs/dbraw/zinc/91/43/92/561914392.db2.gz CUBBKVSXLZRWPC-MUUNZHRXSA-N 1 1 516.642 4.075 1 0 KIAFMO CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1)c1cccc(Oc2ccccc2)c1 ZINC000028342954 561914330 /nfs/dbraw/zinc/91/43/30/561914330.db2.gz CUBBKVSXLZRWPC-NDEPHWFRSA-N 1 1 516.642 4.075 1 0 KIAFMO O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028342974 561914396 /nfs/dbraw/zinc/91/43/96/561914396.db2.gz CKNCGPICNNNDLB-HHHXNRCGSA-N 1 1 520.605 4.189 1 0 KIAFMO COc1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028343276 561914514 /nfs/dbraw/zinc/91/45/14/561914514.db2.gz PHYXOBLODUURFV-MUUNZHRXSA-N 1 1 532.641 4.059 1 0 KIAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)Cc2ccccc2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000028343348 561914471 /nfs/dbraw/zinc/91/44/71/561914471.db2.gz LHDFIWUZFKJCBX-JHOUSYSJSA-N 1 1 672.251 4.373 1 0 KIAFMO O=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028343944 561914505 /nfs/dbraw/zinc/91/45/05/561914505.db2.gz JINMJMRQNUSOIK-MHZLTWQESA-N 1 1 502.615 4.050 1 0 KIAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)c2ccccc2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000028344409 561914595 /nfs/dbraw/zinc/91/45/95/561914595.db2.gz JGBLVRVFDFNBFC-AJQTZOPKSA-N 1 1 658.224 4.231 1 0 KIAFMO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](N)[C@@H]2CCc3ccccc32)CC1 ZINC000028346789 561915004 /nfs/dbraw/zinc/91/50/04/561915004.db2.gz LPXCUBHJKBBROC-XKWYWDKVSA-N 1 1 643.276 4.176 1 0 KIAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4noc(-c5ccc(OC(F)(F)F)cc5)n4)CC3)ccc2s1 ZINC000028374125 561918991 /nfs/dbraw/zinc/91/89/91/561918991.db2.gz WLEDIZGDERNADK-GOSISDBHSA-N 1 1 549.575 4.111 1 0 KIAFMO O=C(C[C@H](NC(=O)c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Cl)cn1 ZINC000028375687 561919211 /nfs/dbraw/zinc/91/92/11/561919211.db2.gz RNIJHAMGTJDJFY-NDEPHWFRSA-N 1 1 590.124 4.374 1 0 KIAFMO O=C(C[C@@H](NC(=O)c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Cl)cn1 ZINC000028376984 561919352 /nfs/dbraw/zinc/91/93/52/561919352.db2.gz RNIJHAMGTJDJFY-MUUNZHRXSA-N 1 1 590.124 4.374 1 0 KIAFMO O=C(C[C@H](NC(=O)c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Br)cn1 ZINC000028376999 561919405 /nfs/dbraw/zinc/91/94/05/561919405.db2.gz RNWIEKPBSGXHQY-NDEPHWFRSA-N 1 1 634.575 4.483 1 0 KIAFMO O=C(C[C@@H](NC(=O)c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Br)cn1 ZINC000028377008 561919420 /nfs/dbraw/zinc/91/94/20/561919420.db2.gz RNWIEKPBSGXHQY-MUUNZHRXSA-N 1 1 634.575 4.483 1 0 KIAFMO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@H](O)C[NH+]1CCOCC1 ZINC000028379163 561919804 /nfs/dbraw/zinc/91/98/04/561919804.db2.gz SUWXNTVLLYXJAC-OAHLLOKOSA-N 1 1 514.953 4.358 1 0 KIAFMO O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@@H](O)C[NH+]1CCOCC1 ZINC000028379172 561919822 /nfs/dbraw/zinc/91/98/22/561919822.db2.gz SUWXNTVLLYXJAC-HNNXBMFYSA-N 1 1 514.953 4.358 1 0 KIAFMO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)C[NH+]1CCN(CCCO)CC1 ZINC000028383414 561920592 /nfs/dbraw/zinc/92/05/92/561920592.db2.gz KQIMPZBHGGTIQL-IBGZPJMESA-N 1 1 586.076 4.329 1 0 KIAFMO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)C[NH+]1CCN(CCCO)CC1 ZINC000028383422 561920476 /nfs/dbraw/zinc/92/04/76/561920476.db2.gz KQIMPZBHGGTIQL-LJQANCHMSA-N 1 1 586.076 4.329 1 0 KIAFMO C[NH+](C)CCN1CCN(C[C@@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028384116 561920640 /nfs/dbraw/zinc/92/06/40/561920640.db2.gz YJJSJSBWSOLBCN-LJQANCHMSA-N 1 1 585.092 4.205 1 0 KIAFMO C[NH+](C)CCN1CCN(C[C@H](O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028384123 561920672 /nfs/dbraw/zinc/92/06/72/561920672.db2.gz YJJSJSBWSOLBCN-IBGZPJMESA-N 1 1 585.092 4.205 1 0 KIAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1 ZINC000028388531 561921645 /nfs/dbraw/zinc/92/16/45/561921645.db2.gz JDTDIXFLFPXHAN-UHFFFAOYSA-N 1 1 514.638 4.202 1 0 KIAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1 ZINC000028388531 561921644 /nfs/dbraw/zinc/92/16/44/561921644.db2.gz JDTDIXFLFPXHAN-UHFFFAOYSA-N 1 1 514.638 4.202 1 0 KIAFMO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)C[NH+]1CCN(C(C)=O)CC1 ZINC000028389353 561921913 /nfs/dbraw/zinc/92/19/13/561921913.db2.gz CFOFPVFWPMHQNW-SFHVURJKSA-N 1 1 570.033 4.493 1 0 KIAFMO COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)C[NH+]1CCN(C(C)=O)CC1 ZINC000028389360 561921969 /nfs/dbraw/zinc/92/19/69/561921969.db2.gz CFOFPVFWPMHQNW-GOSISDBHSA-N 1 1 570.033 4.493 1 0 KIAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000028392316 561922534 /nfs/dbraw/zinc/92/25/34/561922534.db2.gz MXBVGHFRPXPRKM-UHFFFAOYSA-N 1 1 514.638 4.202 1 0 KIAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000028392316 561922532 /nfs/dbraw/zinc/92/25/32/561922532.db2.gz MXBVGHFRPXPRKM-UHFFFAOYSA-N 1 1 514.638 4.202 1 0 KIAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CC[C@@](O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1 ZINC000028392466 561922553 /nfs/dbraw/zinc/92/25/53/561922553.db2.gz CCNMGGCEWSMFAI-NDEPHWFRSA-N 1 1 529.102 4.283 1 0 KIAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CC[C@@](O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1 ZINC000028392466 561922551 /nfs/dbraw/zinc/92/25/51/561922551.db2.gz CCNMGGCEWSMFAI-NDEPHWFRSA-N 1 1 529.102 4.283 1 0 KIAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CC[C@@](O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1 ZINC000028392625 561922604 /nfs/dbraw/zinc/92/26/04/561922604.db2.gz NOOLGAZVGRTVEZ-MUUNZHRXSA-N 1 1 529.102 4.283 1 0 KIAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CC[C@@](O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1 ZINC000028392625 561922603 /nfs/dbraw/zinc/92/26/03/561922603.db2.gz NOOLGAZVGRTVEZ-MUUNZHRXSA-N 1 1 529.102 4.283 1 0 KIAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4noc(-c5ccc(C(C)C)cc5)n4)CC3)ccc2s1 ZINC000028392773 561922637 /nfs/dbraw/zinc/92/26/37/561922637.db2.gz ZNMQOIGIWXNDAH-JOCHJYFZSA-N 1 1 507.660 4.336 1 0 KIAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccc4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028395030 561922887 /nfs/dbraw/zinc/92/28/87/561922887.db2.gz BJJADUNFTFOKNU-JGCGQSQUSA-N 1 1 609.727 4.432 1 0 KIAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccc4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028395037 561922961 /nfs/dbraw/zinc/92/29/61/561922961.db2.gz BJJADUNFTFOKNU-YTTGMZPUSA-N 1 1 609.727 4.432 1 0 KIAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000028396298 561923189 /nfs/dbraw/zinc/92/31/89/561923189.db2.gz IEFKJRFEVBPDOZ-MSOLQXFVSA-N 1 1 510.582 4.216 1 0 KIAFMO COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000028397699 561923400 /nfs/dbraw/zinc/92/34/00/561923400.db2.gz LSGULONQGYGLEC-UHFFFAOYSA-N 1 1 573.597 4.426 1 0 KIAFMO C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CC[NH2+]CC3)n21 ZINC000028456172 561923707 /nfs/dbraw/zinc/92/37/07/561923707.db2.gz STPAECMJMZUXFA-HSZRJFAPSA-N 1 1 599.338 4.183 1 0 KIAFMO CCNC(=O)c1ccc(C(c2ccc(S(N)(=O)=O)cc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028456541 561923918 /nfs/dbraw/zinc/92/39/18/561923918.db2.gz QHUQHHJZWPTKAU-PLQXJYEYSA-N 1 1 505.640 4.306 1 0 KIAFMO CC(C)C[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470162 561926863 /nfs/dbraw/zinc/92/68/63/561926863.db2.gz ACPARYNPKYAYQD-AHKZPQOWSA-N 1 1 534.701 4.299 1 0 KIAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470176 561926888 /nfs/dbraw/zinc/92/68/88/561926888.db2.gz UEWHXLVSSMYLGO-LSYYVWMOSA-N 1 1 533.717 4.034 1 0 KIAFMO CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028470527 561926817 /nfs/dbraw/zinc/92/68/17/561926817.db2.gz CNVZZZPLGYMSFV-NVQXNPDNSA-N 1 1 549.543 4.469 1 0 KIAFMO COc1ccc2c(c1OCc1csc(C)n1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000028471248 561926999 /nfs/dbraw/zinc/92/69/99/561926999.db2.gz IMGKCKSLRAIMFZ-YADHBBJMSA-N 1 1 510.568 4.217 1 0 KIAFMO COc1ccc2c(c1OCc1csc(C)n1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000028471248 561926998 /nfs/dbraw/zinc/92/69/98/561926998.db2.gz IMGKCKSLRAIMFZ-YADHBBJMSA-N 1 1 510.568 4.217 1 0 KIAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028473205 561927280 /nfs/dbraw/zinc/92/72/80/561927280.db2.gz ACPARYNPKYAYQD-BDYUSTAISA-N 1 1 534.701 4.299 1 0 KIAFMO CC(C)C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476108 561928120 /nfs/dbraw/zinc/92/81/20/561928120.db2.gz XFRNCXGSJUADFM-BDYUSTAISA-N 1 1 573.576 4.315 1 0 KIAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476314 561928196 /nfs/dbraw/zinc/92/81/96/561928196.db2.gz ACPARYNPKYAYQD-VPUSJEBWSA-N 1 1 534.701 4.299 1 0 KIAFMO COc1ccc2c(c1OCc1cc(OC)c(OC)c(OC)c1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000028476372 561928178 /nfs/dbraw/zinc/92/81/78/561928178.db2.gz SPGXIZVRQLNGRM-FTJBHMTQSA-N 1 1 579.602 4.478 1 0 KIAFMO COc1ccc2c(c1OCc1cc(OC)c(OC)c(OC)c1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000028476372 561928177 /nfs/dbraw/zinc/92/81/77/561928177.db2.gz SPGXIZVRQLNGRM-FTJBHMTQSA-N 1 1 579.602 4.478 1 0 KIAFMO CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000028476871 561928425 /nfs/dbraw/zinc/92/84/25/561928425.db2.gz ASRPYBALJOUGHC-YZNIXAGQSA-N 1 1 545.728 4.101 1 0 KIAFMO O=C(CCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)OCc1ccccc1 ZINC000028525602 561931547 /nfs/dbraw/zinc/93/15/47/561931547.db2.gz JZGCFEQRHXUOAB-HYDPZFOGSA-N 1 1 515.654 4.114 1 0 KIAFMO O=C(CCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)OCc1ccccc1 ZINC000028525602 561931545 /nfs/dbraw/zinc/93/15/45/561931545.db2.gz JZGCFEQRHXUOAB-HYDPZFOGSA-N 1 1 515.654 4.114 1 0 KIAFMO O=C(CCCNC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 ZINC000028525603 561931493 /nfs/dbraw/zinc/93/14/93/561931493.db2.gz JZGCFEQRHXUOAB-KWXJKOEDSA-N 1 1 515.654 4.114 1 0 KIAFMO O=C(CCCNC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@@H]2CC[C@@H]1O)OCc1ccccc1 ZINC000028525603 561931491 /nfs/dbraw/zinc/93/14/91/561931491.db2.gz JZGCFEQRHXUOAB-KWXJKOEDSA-N 1 1 515.654 4.114 1 0 KIAFMO CCOC(=O)C[N@H+]1CCCC[C@@H]1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc21 ZINC000028527361 561932394 /nfs/dbraw/zinc/93/23/94/561932394.db2.gz UNIOGIZCWAGOKV-HXUWFJFHSA-N 1 1 524.025 4.267 1 0 KIAFMO CCOC(=O)C[N@@H+]1CCCC[C@@H]1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc21 ZINC000028527361 561932393 /nfs/dbraw/zinc/93/23/93/561932393.db2.gz UNIOGIZCWAGOKV-HXUWFJFHSA-N 1 1 524.025 4.267 1 0 KIAFMO CCOC(=O)C[N@H+]1CCCC[C@H]1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc21 ZINC000028527362 561932404 /nfs/dbraw/zinc/93/24/04/561932404.db2.gz UNIOGIZCWAGOKV-FQEVSTJZSA-N 1 1 524.025 4.267 1 0 KIAFMO CCOC(=O)C[N@@H+]1CCCC[C@H]1CCNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc21 ZINC000028527362 561932403 /nfs/dbraw/zinc/93/24/03/561932403.db2.gz UNIOGIZCWAGOKV-FQEVSTJZSA-N 1 1 524.025 4.267 1 0 KIAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CCCC3)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028528129 561932766 /nfs/dbraw/zinc/93/27/66/561932766.db2.gz AGARXGRVNIJDFP-LOYHVIPDSA-N 1 1 557.138 4.309 1 0 KIAFMO COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCCCCCCCC[NH3+])CC1 ZINC000028528183 561932794 /nfs/dbraw/zinc/93/27/94/561932794.db2.gz FNTPFIQEKNCIBW-UHFFFAOYSA-N 1 1 511.107 4.138 1 0 KIAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028528427 561933064 /nfs/dbraw/zinc/93/30/64/561933064.db2.gz CHKKKMVWAASWKU-VSJLXWSYSA-N 1 1 698.289 4.178 1 0 KIAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)c3ccco3)CC2)CCCCC1 ZINC000028529253 561933874 /nfs/dbraw/zinc/93/38/74/561933874.db2.gz RWNTUHVGNXGDOD-MUUNZHRXSA-N 1 1 591.152 4.480 1 0 KIAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H]3NCc4ccccc43)CC2)CCCCC1 ZINC000028529443 561934176 /nfs/dbraw/zinc/93/41/76/561934176.db2.gz USWMCOATFZQQQF-ZFEZZJPFSA-N 1 1 642.244 4.418 1 0 KIAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3NCc4ccccc43)CC2)CCCCC1 ZINC000028529446 561934182 /nfs/dbraw/zinc/93/41/82/561934182.db2.gz USWMCOATFZQQQF-CWTKIQHKSA-N 1 1 642.244 4.418 1 0 KIAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)c3cccnc3)CC2)CCCCC1 ZINC000028529602 561934329 /nfs/dbraw/zinc/93/43/29/561934329.db2.gz VKHRJJBOIVSAGU-SSEXGKCCSA-N 1 1 602.179 4.282 1 0 KIAFMO COc1ccc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCN(C(C)=O)CC4)cc(OC(C)C)c32)n1 ZINC000028529747 561934354 /nfs/dbraw/zinc/93/43/54/561934354.db2.gz AQEIGFROUMAUCQ-UHFFFAOYSA-N 1 1 529.041 4.151 1 0 KIAFMO CCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529918 561934449 /nfs/dbraw/zinc/93/44/49/561934449.db2.gz UVKGPLGMKBLTRI-MUUNZHRXSA-N 1 1 567.174 4.373 1 0 KIAFMO COc1cc(Nc2ncnc3cc(OCCC[NH+]4CCOCC4)cc(OC4CCOCC4)c32)c(Cl)cn1 ZINC000028529958 561934464 /nfs/dbraw/zinc/93/44/64/561934464.db2.gz RGGXAEJCXZWVDT-UHFFFAOYSA-N 1 1 530.025 4.089 1 0 KIAFMO C[N@H+]1CCc2c(sc3ncn(CCN4CCN(c5ccccc5Oc5ccccc5)CC4)c(=O)c32)C1 ZINC000028530016 561934456 /nfs/dbraw/zinc/93/44/56/561934456.db2.gz MKZCDYQNWTXAOV-UHFFFAOYSA-N 1 1 501.656 4.060 1 0 KIAFMO C[N@@H+]1CCc2c(sc3ncn(CCN4CCN(c5ccccc5Oc5ccccc5)CC4)c(=O)c32)C1 ZINC000028530016 561934455 /nfs/dbraw/zinc/93/44/55/561934455.db2.gz MKZCDYQNWTXAOV-UHFFFAOYSA-N 1 1 501.656 4.060 1 0 KIAFMO COc1ccc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCN(C)CC4)cc(OC(C)C)c32)n1 ZINC000028530058 561934389 /nfs/dbraw/zinc/93/43/89/561934389.db2.gz MPNHPBKFHQKFKA-UHFFFAOYSA-N 1 1 501.031 4.234 1 0 KIAFMO COc1cnc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCOCC4)cc(OC4CCOCC4)c32)c1 ZINC000028530109 561934596 /nfs/dbraw/zinc/93/45/96/561934596.db2.gz OUHMRQBQOUEGJV-UHFFFAOYSA-N 1 1 530.025 4.089 1 0 KIAFMO CC(C)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028530119 561934627 /nfs/dbraw/zinc/93/46/27/561934627.db2.gz YEPYWJVSKQEIQZ-MUUNZHRXSA-N 1 1 567.174 4.229 1 0 KIAFMO COc1ccc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCOCC4)cc(OC4CCOCC4)c32)n1 ZINC000028530256 561934637 /nfs/dbraw/zinc/93/46/37/561934637.db2.gz DRRPOWMBNXYOQX-UHFFFAOYSA-N 1 1 530.025 4.089 1 0 KIAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C3CCC3)CC2)CCCCC1 ZINC000028530258 561934580 /nfs/dbraw/zinc/93/45/80/561934580.db2.gz GFNKOSYOJNCHSY-GDLZYMKVSA-N 1 1 579.185 4.373 1 0 KIAFMO COc1cc2c(cc1OCCC[N@H+]1CCC[C@H]1CO)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)s1 ZINC000028568014 561937073 /nfs/dbraw/zinc/93/70/73/561937073.db2.gz GOKZEHPYAIHCMO-FQEVSTJZSA-N 1 1 566.659 4.384 1 0 KIAFMO COc1cc2c(cc1OCCC[N@H+]1CCC[C@H]1CO)ncnc2Nc1ncc(CC(=O)Nc2cccc(N(C)C)c2)s1 ZINC000028568041 561937059 /nfs/dbraw/zinc/93/70/59/561937059.db2.gz GTADHMXENUUJMP-QFIPXVFZSA-N 1 1 591.738 4.311 1 0 KIAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)s1 ZINC000028568079 561937116 /nfs/dbraw/zinc/93/71/16/561937116.db2.gz SEJVDCGZEHMMFJ-UHFFFAOYSA-N 1 1 565.675 4.175 1 0 KIAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1nc(CC(=O)Nc2cccc(F)c2)cs1 ZINC000028568095 561937066 /nfs/dbraw/zinc/93/70/66/561937066.db2.gz NFCAJLCVTMPSFF-UHFFFAOYSA-N 1 1 552.632 4.260 1 0 KIAFMO CC[N@@H+](CCO)CCCOc1cc2ncnc(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)c2cc1OC ZINC000028568133 561937250 /nfs/dbraw/zinc/93/72/50/561937250.db2.gz MFOBAPCLZHKNOA-UHFFFAOYSA-N 1 1 554.648 4.242 1 0 KIAFMO COc1cccc(NC(=O)Cc2cnc(Nc3ncnc4cc(OCCC[N@H+]5CCC[C@H]5CO)c(OC)cc43)s2)c1 ZINC000028568168 561937233 /nfs/dbraw/zinc/93/72/33/561937233.db2.gz YIQYJKSVIIKEJE-FQEVSTJZSA-N 1 1 578.695 4.254 1 0 KIAFMO CC(C)(C)c1nc(N2CC[NH+](CCCCn3c(=O)cc(O)c4ccccc43)CC2)cc(C(F)(F)F)n1 ZINC000028568387 561937284 /nfs/dbraw/zinc/93/72/84/561937284.db2.gz ZRPHNBZAKYUMQJ-UHFFFAOYSA-N 1 1 503.569 4.315 1 0 KIAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ncc(CC(=O)Nc2cccc(F)c2)s1 ZINC000028568625 561937398 /nfs/dbraw/zinc/93/73/98/561937398.db2.gz LADMWECVCSKFPZ-UHFFFAOYSA-N 1 1 552.632 4.260 1 0 KIAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCNC2=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028569629 561938380 /nfs/dbraw/zinc/93/83/80/561938380.db2.gz BBYTXRAQNPWSMC-LOYHVIPDSA-N 1 1 606.211 4.296 1 0 KIAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCCS2(=O)=O)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028570046 561938436 /nfs/dbraw/zinc/93/84/36/561938436.db2.gz DTYOAGHBUMBHBH-FIRIVFDPSA-N 1 1 641.278 4.306 1 0 KIAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NS(C)(=O)=O)c4)C[C@H]23)CC1 ZINC000028572635 561940314 /nfs/dbraw/zinc/94/03/14/561940314.db2.gz PJOFDORDRUWYLO-KODFZCBSSA-N 1 1 578.154 4.442 1 0 KIAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(S(C)(=O)=O)cc4)C[C@H]23)CC1 ZINC000028572639 561940301 /nfs/dbraw/zinc/94/03/01/561940301.db2.gz GADPOBKQVALWOX-KODFZCBSSA-N 1 1 563.139 4.474 1 0 KIAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(Cl)cc3Cl)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572819 561940417 /nfs/dbraw/zinc/94/04/17/561940417.db2.gz VBMAAYRURVSNIL-MUUNZHRXSA-N 1 1 600.457 4.279 1 0 KIAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(Cl)cc3Cl)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572821 561940381 /nfs/dbraw/zinc/94/03/81/561940381.db2.gz VBMAAYRURVSNIL-NDEPHWFRSA-N 1 1 600.457 4.279 1 0 KIAFMO COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CC[NH+](Cc2cncn2Cc2ccc(OC)cc2)CC1 ZINC000028637714 561941769 /nfs/dbraw/zinc/94/17/69/561941769.db2.gz OGXGCYXVKDLWDY-NDEPHWFRSA-N 1 1 550.725 4.342 1 0 KIAFMO COc1cc(/C=C/C(=O)OCCCN(C)CC[N@@H+](C)CCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028638039 561941948 /nfs/dbraw/zinc/94/19/48/561941948.db2.gz IMGNTNRBPDJWPK-PHEQNACWSA-N 1 1 644.762 4.195 1 0 KIAFMO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 ZINC000028653032 561946096 /nfs/dbraw/zinc/94/60/96/561946096.db2.gz RQPBIDGXGZXSLU-RHNUXINZSA-N 1 1 674.846 4.274 1 0 KIAFMO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(O)cc1 ZINC000028653039 561946167 /nfs/dbraw/zinc/94/61/67/561946167.db2.gz APAXYZSAKSDVKN-QBDOPFNQSA-N 1 1 676.818 4.302 1 0 KIAFMO C[N@H+]1C[C@H](C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC[C@H]2C(N)=O)C=C2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000028655466 561946532 /nfs/dbraw/zinc/94/65/32/561946532.db2.gz RKNAJYDRYXZMIZ-ALHDMZAZSA-N 1 1 696.868 4.226 1 0 KIAFMO CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000028655512 561946716 /nfs/dbraw/zinc/94/67/16/561946716.db2.gz CWFYFSVSDFREOX-HNLGHXBASA-N 1 1 678.878 4.467 1 0 KIAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCNC(=O)c1cc(Br)cc(OC)c1OCCF)CC2 ZINC000028656383 561946883 /nfs/dbraw/zinc/94/68/83/561946883.db2.gz UCUNRRPIPHCZFN-UHFFFAOYSA-N 1 1 539.442 4.392 1 0 KIAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCNC(=O)c1cc(Br)ccc1OCCF)CC2 ZINC000028656388 561946896 /nfs/dbraw/zinc/94/68/96/561946896.db2.gz RVFWCFRZVLIRPT-UHFFFAOYSA-N 1 1 509.416 4.383 1 0 KIAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCNC(=O)c1cc(I)ccc1OCCF)CC2 ZINC000028656390 561946906 /nfs/dbraw/zinc/94/69/06/561946906.db2.gz IRFSOVRQSWDTBI-UHFFFAOYSA-N 1 1 556.416 4.225 1 0 KIAFMO C[N@H+]1CCC[C@@H]1CCNC(=O)OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704161 561948403 /nfs/dbraw/zinc/94/84/03/561948403.db2.gz GRHFGPUSCILVJD-YADHBBJMSA-N 1 1 506.068 4.451 1 0 KIAFMO C[N@H+]1CCC[C@H]1CCNC(=O)OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704163 561948411 /nfs/dbraw/zinc/94/84/11/561948411.db2.gz GRHFGPUSCILVJD-VXKWHMMOSA-N 1 1 506.068 4.451 1 0 KIAFMO C[N@H+]1CCC[C@@H]1CCNC(=O)OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704272 561948558 /nfs/dbraw/zinc/94/85/58/561948558.db2.gz LXEIWDIDBCNNDC-AKFKNWHVSA-N 1 1 506.068 4.445 1 0 KIAFMO C[N@H+]1CCC[C@H]1CCNC(=O)OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704274 561948579 /nfs/dbraw/zinc/94/85/79/561948579.db2.gz LXEIWDIDBCNNDC-ZDXQCDESSA-N 1 1 506.068 4.445 1 0 KIAFMO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(OC)c1 ZINC000028705645 561949140 /nfs/dbraw/zinc/94/91/40/561949140.db2.gz YXGVNNKUNJXHOE-JHOBJCJYSA-N 1 1 657.747 4.227 1 0 KIAFMO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(OC)c1 ZINC000028705649 561949164 /nfs/dbraw/zinc/94/91/64/561949164.db2.gz YXGVNNKUNJXHOE-DJUQAAIZSA-N 1 1 657.747 4.227 1 0 KIAFMO CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCCC1 ZINC000028711596 561952040 /nfs/dbraw/zinc/95/20/40/561952040.db2.gz DNEUGVXAWSDVJO-HHHXNRCGSA-N 1 1 590.790 4.242 1 0 KIAFMO O=C(NCCC[NH+]1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=S)Nc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000028711608 561952205 /nfs/dbraw/zinc/95/22/05/561952205.db2.gz CVURWAPIHYSXSB-RUZDIDTESA-N 1 1 606.620 4.159 1 0 KIAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCC1)c1ccc(-c2ccccc2)s1 ZINC000028711617 561952187 /nfs/dbraw/zinc/95/21/87/561952187.db2.gz PQYCMTFNJKGIIP-HHHXNRCGSA-N 1 1 588.774 4.024 1 0 KIAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCC1)c1cc2c(cccc2Cl)s1 ZINC000028711691 561952356 /nfs/dbraw/zinc/95/23/56/561952356.db2.gz XPTKYCXAIGZREM-RUZDIDTESA-N 1 1 597.181 4.163 1 0 KIAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCC1)c1cc2cc(Cl)ccc2s1 ZINC000028711692 561952335 /nfs/dbraw/zinc/95/23/35/561952335.db2.gz DVEZRJMAJLAJHO-RUZDIDTESA-N 1 1 597.181 4.163 1 0 KIAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCC1)c1cc2ccc(Cl)cc2s1 ZINC000028711693 561952294 /nfs/dbraw/zinc/95/22/94/561952294.db2.gz FVLPYPJFTZMMIJ-RUZDIDTESA-N 1 1 597.181 4.163 1 0 KIAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCC1)c1cc2cccc(Cl)c2s1 ZINC000028711694 561952289 /nfs/dbraw/zinc/95/22/89/561952289.db2.gz JGPVMVGMLHDLCW-RUZDIDTESA-N 1 1 597.181 4.163 1 0 KIAFMO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCCC1)c1sc2ccccc2c1Cl ZINC000028711695 561952375 /nfs/dbraw/zinc/95/23/75/561952375.db2.gz VNAHOPJAVRNAKH-XMMPIXPASA-N 1 1 597.181 4.163 1 0 KIAFMO O=C(Nc1ccc(CCC2=[NH+]CCN2)cc1)c1[nH]nc(NC(=O)c2ccccc2Cl)c1Br ZINC000028711944 561952614 /nfs/dbraw/zinc/95/26/14/561952614.db2.gz IHXOBVVDFCDBEC-UHFFFAOYSA-N 1 1 515.799 4.265 1 0 KIAFMO COc1ccc(CC[N@@H+](C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC ZINC000028713998 561954157 /nfs/dbraw/zinc/95/41/57/561954157.db2.gz LUNFWPKHPVTQAR-UHFFFAOYSA-N 1 1 512.610 4.409 1 0 KIAFMO CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN1CCC[N@@H+](CCC(=O)N2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714050 561954392 /nfs/dbraw/zinc/95/43/92/561954392.db2.gz AYTHKJZYBUUDOH-RZKZGJNWSA-N 1 1 720.959 4.464 1 0 KIAFMO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnc[nH]3)cc2)C1=O ZINC000028755181 561955357 /nfs/dbraw/zinc/95/53/57/561955357.db2.gz VTINIGTZWNOOKS-RUZDIDTESA-N 1 1 508.626 4.230 1 0 KIAFMO COc1cccc(CNC(=O)c2c3ncnc(N4CC[NH+](CCc5ccc(F)c(F)c5)CC4)c3n3c2CCCC3)c1OC ZINC000028763918 561958896 /nfs/dbraw/zinc/95/88/96/561958896.db2.gz DQBOLYOAFHZWDL-UHFFFAOYSA-N 1 1 590.675 4.358 1 0 KIAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(I)cc1)[N@H+]2C/C=C/I ZINC000028768786 561960638 /nfs/dbraw/zinc/96/06/38/561960638.db2.gz FOGCUXYHCCUINS-UNSMHXHVSA-N 1 1 537.179 4.349 1 0 KIAFMO CC[C@@H]1CCC[C@H](COC(=O)N2CCC([N@@H+](C)C3CCN(C)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816484 561964223 /nfs/dbraw/zinc/96/42/23/561964223.db2.gz WNLCBJQKFPOUQX-RCZVLFRGSA-N 1 1 555.185 4.289 1 0 KIAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@H](NC(=O)c3c(F)cc5c(c3F)NC(=O)CS5)C4)c2c1 ZINC000028817468 561964921 /nfs/dbraw/zinc/96/49/21/561964921.db2.gz KCQHXMJWRCNUHF-AWEZNQCLSA-N 1 1 521.549 4.039 1 0 KIAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3c(F)cc5c(c3F)NC(=O)CS5)C4)c2c1 ZINC000028817470 561964983 /nfs/dbraw/zinc/96/49/83/561964983.db2.gz KCQHXMJWRCNUHF-CQSZACIVSA-N 1 1 521.549 4.039 1 0 KIAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3Cl)SCC(=O)N5)C4)c2c1 ZINC000028817475 561964905 /nfs/dbraw/zinc/96/49/05/561964905.db2.gz XMCCZOFLMSGZJE-HNNXBMFYSA-N 1 1 520.014 4.414 1 0 KIAFMO COc1ccc2[nH+]ccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3Cl)SCC(=O)N5)C4)c2c1 ZINC000028817476 561964886 /nfs/dbraw/zinc/96/48/86/561964886.db2.gz XMCCZOFLMSGZJE-OAHLLOKOSA-N 1 1 520.014 4.414 1 0 KIAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000028818510 561965169 /nfs/dbraw/zinc/96/51/69/561965169.db2.gz RZPQRBOXKISZBA-NYVOZVTQSA-N 1 1 542.105 4.188 1 0 KIAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000028818512 561965190 /nfs/dbraw/zinc/96/51/90/561965190.db2.gz RZPQRBOXKISZBA-COPCDDAFSA-N 1 1 542.105 4.188 1 0 KIAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000028818520 561965250 /nfs/dbraw/zinc/96/52/50/561965250.db2.gz VZCUNBALUOBEHK-VXKWHMMOSA-N 1 1 542.105 4.330 1 0 KIAFMO CN(C(=O)N1CC[C@@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000028818530 561965365 /nfs/dbraw/zinc/96/53/65/561965365.db2.gz VZCUNBALUOBEHK-FGZHOGPDSA-N 1 1 542.105 4.330 1 0 KIAFMO CN(C(=O)N1CC[C@@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000028818532 561965370 /nfs/dbraw/zinc/96/53/70/561965370.db2.gz VZCUNBALUOBEHK-FCHUYYIVSA-N 1 1 542.105 4.330 1 0 KIAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(C(F)(F)F)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000028818539 561965323 /nfs/dbraw/zinc/96/53/23/561965323.db2.gz XFRFMQURURXPCN-ROUUACIJSA-N 1 1 505.566 4.147 1 0 KIAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(OC(F)(F)F)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](C)C1 ZINC000028818540 561965377 /nfs/dbraw/zinc/96/53/77/561965377.db2.gz OYSLSXQOPMXETN-IRXDYDNUSA-N 1 1 521.565 4.026 1 0 KIAFMO CCOc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@@H+](C)C5)C4)c(=O)c3s2)c(Cl)c1 ZINC000028818546 561965401 /nfs/dbraw/zinc/96/54/01/561965401.db2.gz HJOURXUKRFORJK-IRXDYDNUSA-N 1 1 516.067 4.180 1 0 KIAFMO CCc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@H+](C6CCOCC6)C5)C4)c(=O)c3s2)cc1 ZINC000028818555 561965384 /nfs/dbraw/zinc/96/53/84/561965384.db2.gz OZYCLAUGHOTCBX-ZEQRLZLVSA-N 1 1 535.714 4.239 1 0 KIAFMO Cc1ccc(-c2cc3ncn([C@H]4CCN(C(=O)N(C)[C@H]5CC[N@H+](C6CCOCC6)C5)C4)c(=O)c3s2)c(C)c1 ZINC000028818556 561965424 /nfs/dbraw/zinc/96/54/24/561965424.db2.gz WXBYXGWUAPCLJS-GOTSBHOMSA-N 1 1 535.714 4.294 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@@H+](C)C[C@@H](O)c3ccc(O)cc3)cc21 ZINC000028822495 561967027 /nfs/dbraw/zinc/96/70/27/561967027.db2.gz JYENJFUQNFGYIM-HSZRJFAPSA-N 1 1 512.031 4.054 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@H+](C)C[C@@H](O)c3ccc(O)cc3)cc21 ZINC000028822495 561967026 /nfs/dbraw/zinc/96/70/26/561967026.db2.gz JYENJFUQNFGYIM-HSZRJFAPSA-N 1 1 512.031 4.054 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@@H+](C)C[C@H](O)c3ccc(O)cc3)cc21 ZINC000028822496 561966972 /nfs/dbraw/zinc/96/69/72/561966972.db2.gz JYENJFUQNFGYIM-QHCPKHFHSA-N 1 1 512.031 4.054 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@H+](C)C[C@H](O)c3ccc(O)cc3)cc21 ZINC000028822496 561966970 /nfs/dbraw/zinc/96/69/70/561966970.db2.gz JYENJFUQNFGYIM-QHCPKHFHSA-N 1 1 512.031 4.054 1 0 KIAFMO Cc1c(C[N@@H+](C)C[C@@H](O)c2ccc(O)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822497 561967109 /nfs/dbraw/zinc/96/71/09/561967109.db2.gz LJNTWCVADOVPNJ-JOCHJYFZSA-N 1 1 526.058 4.363 1 0 KIAFMO Cc1c(C[N@@H+](C)C[C@H](O)c2ccc(O)cc2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822498 561967193 /nfs/dbraw/zinc/96/71/93/561967193.db2.gz LJNTWCVADOVPNJ-QFIPXVFZSA-N 1 1 526.058 4.363 1 0 KIAFMO COc1cccc([C@@H](O)C[N@@H+](C)Cc2cc3c(s2)c(=O)c(C(=O)NCc2ccc(Cl)cc2)cn3C)c1 ZINC000028822499 561967149 /nfs/dbraw/zinc/96/71/49/561967149.db2.gz OLOUYHBOPBIZKN-DEOSSOPVSA-N 1 1 526.058 4.357 1 0 KIAFMO COc1cccc([C@@H](O)C[N@H+](C)Cc2cc3c(s2)c(=O)c(C(=O)NCc2ccc(Cl)cc2)cn3C)c1 ZINC000028822499 561967148 /nfs/dbraw/zinc/96/71/48/561967148.db2.gz OLOUYHBOPBIZKN-DEOSSOPVSA-N 1 1 526.058 4.357 1 0 KIAFMO COc1cccc([C@H](O)C[N@@H+](C)Cc2cc3c(s2)c(=O)c(C(=O)NCc2ccc(Cl)cc2)cn3C)c1 ZINC000028822500 561967113 /nfs/dbraw/zinc/96/71/13/561967113.db2.gz OLOUYHBOPBIZKN-XMMPIXPASA-N 1 1 526.058 4.357 1 0 KIAFMO COc1cccc([C@H](O)C[N@H+](C)Cc2cc3c(s2)c(=O)c(C(=O)NCc2ccc(Cl)cc2)cn3C)c1 ZINC000028822500 561967112 /nfs/dbraw/zinc/96/71/12/561967112.db2.gz OLOUYHBOPBIZKN-XMMPIXPASA-N 1 1 526.058 4.357 1 0 KIAFMO Cc1c(C[N@@H+](C)C[C@@H](O)c2ccco2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822511 561967116 /nfs/dbraw/zinc/96/71/16/561967116.db2.gz VDWGACAKOJZSJR-LJQANCHMSA-N 1 1 500.020 4.250 1 0 KIAFMO Cc1c(C[N@H+](C)C[C@@H](O)c2ccco2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822511 561967115 /nfs/dbraw/zinc/96/71/15/561967115.db2.gz VDWGACAKOJZSJR-LJQANCHMSA-N 1 1 500.020 4.250 1 0 KIAFMO Cc1c(C[N@@H+](C)C[C@H](O)c2ccco2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822512 561967095 /nfs/dbraw/zinc/96/70/95/561967095.db2.gz VDWGACAKOJZSJR-IBGZPJMESA-N 1 1 500.020 4.250 1 0 KIAFMO Cc1c(C[N@H+](C)C[C@H](O)c2ccco2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822512 561967094 /nfs/dbraw/zinc/96/70/94/561967094.db2.gz VDWGACAKOJZSJR-IBGZPJMESA-N 1 1 500.020 4.250 1 0 KIAFMO Cc1c(C[N@@H+](C)C[C@@H](O)c2ccccn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822515 561967152 /nfs/dbraw/zinc/96/71/52/561967152.db2.gz XBRIJVHJWAPXEB-OAQYLSRUSA-N 1 1 511.047 4.052 1 0 KIAFMO Cc1c(C[N@H+](C)C[C@@H](O)c2ccccn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822515 561967151 /nfs/dbraw/zinc/96/71/51/561967151.db2.gz XBRIJVHJWAPXEB-OAQYLSRUSA-N 1 1 511.047 4.052 1 0 KIAFMO Cc1c(C[N@@H+](C)C[C@H](O)c2ccccn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822516 561967170 /nfs/dbraw/zinc/96/71/70/561967170.db2.gz XBRIJVHJWAPXEB-NRFANRHFSA-N 1 1 511.047 4.052 1 0 KIAFMO Cc1c(C[N@H+](C)C[C@H](O)c2ccccn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822516 561967169 /nfs/dbraw/zinc/96/71/69/561967169.db2.gz XBRIJVHJWAPXEB-NRFANRHFSA-N 1 1 511.047 4.052 1 0 KIAFMO Cc1c(C[N@@H+](C)C[C@@H](O)c2nccs2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822519 561967156 /nfs/dbraw/zinc/96/71/56/561967156.db2.gz VOUDDKPNYNZCHH-GOSISDBHSA-N 1 1 517.076 4.114 1 0 KIAFMO Cc1c(C[N@H+](C)C[C@@H](O)c2nccs2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822519 561967155 /nfs/dbraw/zinc/96/71/55/561967155.db2.gz VOUDDKPNYNZCHH-GOSISDBHSA-N 1 1 517.076 4.114 1 0 KIAFMO Cc1c(C[N@@H+](C)C[C@H](O)c2nccs2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822520 561967175 /nfs/dbraw/zinc/96/71/75/561967175.db2.gz VOUDDKPNYNZCHH-SFHVURJKSA-N 1 1 517.076 4.114 1 0 KIAFMO Cc1c(C[N@H+](C)C[C@H](O)c2nccs2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822520 561967173 /nfs/dbraw/zinc/96/71/73/561967173.db2.gz VOUDDKPNYNZCHH-SFHVURJKSA-N 1 1 517.076 4.114 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@@H+](C)[C@@H](CO)Cc3ccccc3)cc21 ZINC000028822533 561967121 /nfs/dbraw/zinc/96/71/21/561967121.db2.gz DVZPDDAXTDNWQF-OAQYLSRUSA-N 1 1 510.059 4.219 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(C[N@@H+](C)[C@H](CO)Cc3ccccc3)cc21 ZINC000028822534 561967188 /nfs/dbraw/zinc/96/71/88/561967188.db2.gz DVZPDDAXTDNWQF-NRFANRHFSA-N 1 1 510.059 4.219 1 0 KIAFMO C[NH+](C)Cc1nccn1-c1ccc(C(=O)N[C@H]2CCC[C@H]2NC(=O)c2ccc3c(Cl)c[nH]c3c2)cc1 ZINC000028822891 561967665 /nfs/dbraw/zinc/96/76/65/561967665.db2.gz NRUWCJQSBJZAAA-XZOQPEGZSA-N 1 1 505.022 4.150 1 0 KIAFMO COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@H+](Cc2ccc(-n4ccnc4)cc2)CC3)c1 ZINC000028823811 561968471 /nfs/dbraw/zinc/96/84/71/561968471.db2.gz RTBDTTRVAZNIGB-UHFFFAOYSA-N 1 1 555.585 4.078 1 0 KIAFMO COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@@H+](Cc2ccc(-n4ccnc4)cc2)CC3)c1 ZINC000028823811 561968469 /nfs/dbraw/zinc/96/84/69/561968469.db2.gz RTBDTTRVAZNIGB-UHFFFAOYSA-N 1 1 555.585 4.078 1 0 KIAFMO CN(c1cc2cc(n1)CC[C@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)([NH3+])C(=O)OC2)S(C)(=O)=O ZINC000028824423 561969635 /nfs/dbraw/zinc/96/96/35/561969635.db2.gz QMGASVJSBNQBAN-VAVYLYDRSA-N 1 1 521.683 4.143 1 0 KIAFMO CN(c1cc2cc(n1)CC[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)([NH3+])C(=O)OC2)S(C)(=O)=O ZINC000028824424 561969685 /nfs/dbraw/zinc/96/96/85/561969685.db2.gz QMGASVJSBNQBAN-ABYGYWHVSA-N 1 1 521.683 4.143 1 0 KIAFMO NCc1ncc([C@@]23C[C@@H]2[C@H](N(CCC[N@H+]2CC[C@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825137 561970324 /nfs/dbraw/zinc/97/03/24/561970324.db2.gz NMYTVJXUWUGBBX-SDLCRUBJSA-N 1 1 541.615 4.171 1 0 KIAFMO NCc1ncc([C@@]23C[C@@H]2[C@H](N(CCC[N@@H+]2CC[C@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825137 561970322 /nfs/dbraw/zinc/97/03/22/561970322.db2.gz NMYTVJXUWUGBBX-SDLCRUBJSA-N 1 1 541.615 4.171 1 0 KIAFMO NCc1ncc([C@@]23C[C@@H]2[C@H](N(CCC[N@H+]2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825140 561970370 /nfs/dbraw/zinc/97/03/70/561970370.db2.gz NMYTVJXUWUGBBX-HKTKNQGOSA-N 1 1 541.615 4.171 1 0 KIAFMO NCc1ncc([C@@]23C[C@@H]2[C@H](N(CCC[N@@H+]2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825140 561970369 /nfs/dbraw/zinc/97/03/69/561970369.db2.gz NMYTVJXUWUGBBX-HKTKNQGOSA-N 1 1 541.615 4.171 1 0 KIAFMO C[C@@H]1CN(CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@@H]2CC[C@]3(c4cnc(CN)s4)C[C@H]23)[C@@H](C)C[NH2+]1 ZINC000028825143 561970338 /nfs/dbraw/zinc/97/03/38/561970338.db2.gz ZMZHZCSLQGDVJZ-QOUGIXSESA-N 1 1 552.576 4.330 1 0 KIAFMO NCc1ncc([C@@]23C[C@@H]2[C@@H](N(CCC[N@H+]2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825147 561970352 /nfs/dbraw/zinc/97/03/52/561970352.db2.gz NMYTVJXUWUGBBX-RUSORYGASA-N 1 1 541.615 4.171 1 0 KIAFMO NCc1ncc([C@@]23C[C@@H]2[C@@H](N(CCC[N@@H+]2CC[C@@H](O)C2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825147 561970350 /nfs/dbraw/zinc/97/03/50/561970350.db2.gz NMYTVJXUWUGBBX-RUSORYGASA-N 1 1 541.615 4.171 1 0 KIAFMO C[C@@H]1CN(CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H]2CC[C@@]3(c4cnc(CN)s4)C[C@@H]23)[C@@H](C)C[NH2+]1 ZINC000028825148 561970362 /nfs/dbraw/zinc/97/03/62/561970362.db2.gz ZMZHZCSLQGDVJZ-BEGLXJJCSA-N 1 1 552.576 4.330 1 0 KIAFMO C[C@@H]1CN(CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)[C@H]2CC[C@]3(c4cnc(CN)s4)C[C@H]23)[C@@H](C)C[NH2+]1 ZINC000028825149 561970287 /nfs/dbraw/zinc/97/02/87/561970287.db2.gz ZMZHZCSLQGDVJZ-JXWYJFIFSA-N 1 1 552.576 4.330 1 0 KIAFMO C[C@@H]1C[NH2+][C@@H](C)CN1CCCN(C(=O)Nc1cc(Cl)nc(Cl)c1)[C@H]1CC[C@@]2(c3cnc(CN)s3)C[C@@H]12 ZINC000028825150 561970284 /nfs/dbraw/zinc/97/02/84/561970284.db2.gz ZMZHZCSLQGDVJZ-BDXPTWQUSA-N 1 1 552.576 4.330 1 0 KIAFMO C[C@@H]1C[NH2+][C@@H](C)CN1CCCN(C(=O)Nc1cc(Cl)nc(Cl)c1)[C@H]1CC[C@]2(c3cnc(CN)s3)C[C@H]12 ZINC000028825151 561970314 /nfs/dbraw/zinc/97/03/14/561970314.db2.gz ZMZHZCSLQGDVJZ-MRILWLIUSA-N 1 1 552.576 4.330 1 0 KIAFMO O=C(N[C@]1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 ZINC000028825226 561970619 /nfs/dbraw/zinc/97/06/19/561970619.db2.gz GXIZWYDJPVSHBX-BVGRYSDNSA-N 1 1 610.780 4.039 1 0 KIAFMO O=C(N[C@@]1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 ZINC000028825227 561970599 /nfs/dbraw/zinc/97/05/99/561970599.db2.gz GXIZWYDJPVSHBX-UYHPJTEGSA-N 1 1 610.780 4.039 1 0 KIAFMO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1 ZINC000028825737 561970879 /nfs/dbraw/zinc/97/08/79/561970879.db2.gz FPCHDSHOEYZWRR-XZOQPEGZSA-N 1 1 588.502 4.393 1 0 KIAFMO CC(C)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1 ZINC000028825744 561970966 /nfs/dbraw/zinc/97/09/66/561970966.db2.gz HKRDNYBCBWCVPZ-XZOQPEGZSA-N 1 1 588.502 4.393 1 0 KIAFMO CC(C)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CN)CC1 ZINC000028825745 561970933 /nfs/dbraw/zinc/97/09/33/561970933.db2.gz HKRDNYBCBWCVPZ-DHIUTWEWSA-N 1 1 588.502 4.393 1 0 KIAFMO COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@H+](CCc2c[nH]c4ccccc24)CC3)c1 ZINC000028863524 561972348 /nfs/dbraw/zinc/97/23/48/561972348.db2.gz SIJLLGCJSPPEJZ-UHFFFAOYSA-N 1 1 542.586 4.416 1 0 KIAFMO COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@H+](Cc2ccc(C)cc2)CC3)c1 ZINC000028863526 561972356 /nfs/dbraw/zinc/97/23/56/561972356.db2.gz MCITZAXHYIHCRB-UHFFFAOYSA-N 1 1 503.549 4.201 1 0 KIAFMO COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)C[N@@H+](Cc2ccc(C)cc2)CC3)c1 ZINC000028863526 561972354 /nfs/dbraw/zinc/97/23/54/561972354.db2.gz MCITZAXHYIHCRB-UHFFFAOYSA-N 1 1 503.549 4.201 1 0 KIAFMO CC(C)n1cc(NC(=O)c2cc(NC(=N)c3ccccc3)cn2C)cc1C(=O)Nc1ccc(C(=O)NCCC[NH+](C)C)n1C ZINC000028863594 561972359 /nfs/dbraw/zinc/97/23/59/561972359.db2.gz KWHLSWSWXBDGDZ-UHFFFAOYSA-N 1 1 599.740 4.370 1 0 KIAFMO COc1cccc(C(=N)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(C(=O)NCCC[NH+](C)C)n4C)n(C(C)C)c3)n(C)c2)c1 ZINC000028863635 561972588 /nfs/dbraw/zinc/97/25/88/561972588.db2.gz RHIUCGUGEHAWQK-UHFFFAOYSA-N 1 1 629.766 4.378 1 0 KIAFMO C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864117 561972462 /nfs/dbraw/zinc/97/24/62/561972462.db2.gz YWXWWLFOSYCWIB-UHFFFAOYSA-N 1 1 580.079 4.118 1 0 KIAFMO CSc1ccc(CN2CCc3c(c(=O)n(CC[N@@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864121 561972600 /nfs/dbraw/zinc/97/26/00/561972600.db2.gz CMTGTUPQRGVTHE-UHFFFAOYSA-N 1 1 591.728 4.186 1 0 KIAFMO CSc1ccc(CN2CCc3c(c(=O)n(CC[N@H+](C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1 ZINC000028864121 561972598 /nfs/dbraw/zinc/97/25/98/561972598.db2.gz CMTGTUPQRGVTHE-UHFFFAOYSA-N 1 1 591.728 4.186 1 0 KIAFMO C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000028864124 561972647 /nfs/dbraw/zinc/97/26/47/561972647.db2.gz RPWAWOSYDIWRBM-UHFFFAOYSA-N 1 1 613.631 4.483 1 0 KIAFMO C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000028864124 561972645 /nfs/dbraw/zinc/97/26/45/561972645.db2.gz RPWAWOSYDIWRBM-UHFFFAOYSA-N 1 1 613.631 4.483 1 0 KIAFMO C[N@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1cccc(Cl)c1)C2 ZINC000028864132 561972519 /nfs/dbraw/zinc/97/25/19/561972519.db2.gz AYSIDPWCVRGUGA-UHFFFAOYSA-N 1 1 580.079 4.118 1 0 KIAFMO Cc1cc(Cl)ccc1CN1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864141 561972500 /nfs/dbraw/zinc/97/25/00/561972500.db2.gz UKFXMFODKVUUPA-UHFFFAOYSA-N 1 1 594.106 4.426 1 0 KIAFMO Cc1cc(Cl)ccc1CN1CCc2c(c(=O)n(CC[N@@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864141 561972499 /nfs/dbraw/zinc/97/24/99/561972499.db2.gz UKFXMFODKVUUPA-UHFFFAOYSA-N 1 1 594.106 4.426 1 0 KIAFMO Cc1ccc(C[N@H+]2CCc3c(c(=O)n(CCN(C)Cc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864171 561972914 /nfs/dbraw/zinc/97/29/14/561972914.db2.gz XGURAZVFVAKWSE-UHFFFAOYSA-N 1 1 559.661 4.039 1 0 KIAFMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccc(C(=O)NCCO)c3)oc21 ZINC000028878016 561976032 /nfs/dbraw/zinc/97/60/32/561976032.db2.gz SUSKWGJDSZQSSD-UHFFFAOYSA-N 1 1 516.594 4.406 1 0 KIAFMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879601 561976455 /nfs/dbraw/zinc/97/64/55/561976455.db2.gz MFDZSGSRFDWNEW-XZZVZQAVSA-N 1 1 580.122 4.431 1 0 KIAFMO C[C@H]1C[N@H+](CCO)CCN1C(=O)OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879601 561976453 /nfs/dbraw/zinc/97/64/53/561976453.db2.gz MFDZSGSRFDWNEW-XZZVZQAVSA-N 1 1 580.122 4.431 1 0 KIAFMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879607 561976421 /nfs/dbraw/zinc/97/64/21/561976421.db2.gz MFDZSGSRFDWNEW-YMSRPXOMSA-N 1 1 580.122 4.431 1 0 KIAFMO C[C@H]1C[N@H+](CCO)CCN1C(=O)OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879607 561976419 /nfs/dbraw/zinc/97/64/19/561976419.db2.gz MFDZSGSRFDWNEW-YMSRPXOMSA-N 1 1 580.122 4.431 1 0 KIAFMO C[C@H]1C[N@H+](C(C)(CO)CO)CCN1C(=O)OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879611 561976483 /nfs/dbraw/zinc/97/64/83/561976483.db2.gz RMMNMQOLNRMZRW-PUUVEUEGSA-N 1 1 624.175 4.182 1 0 KIAFMO C[C@H]1C[N@@H+](C(C)(CO)CO)CCN1C(=O)OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879611 561976482 /nfs/dbraw/zinc/97/64/82/561976482.db2.gz RMMNMQOLNRMZRW-PUUVEUEGSA-N 1 1 624.175 4.182 1 0 KIAFMO C[C@H]1C[N@H+](C(C)(CO)CO)CCN1C(=O)OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879617 561976460 /nfs/dbraw/zinc/97/64/60/561976460.db2.gz RMMNMQOLNRMZRW-NJTBCWBZSA-N 1 1 624.175 4.182 1 0 KIAFMO C[C@H]1C[N@@H+](C(C)(CO)CO)CCN1C(=O)OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879617 561976458 /nfs/dbraw/zinc/97/64/58/561976458.db2.gz RMMNMQOLNRMZRW-NJTBCWBZSA-N 1 1 624.175 4.182 1 0 KIAFMO COc1cc(Br)cc(C(=O)NCCCC[N@H+]2CCc3cc4c(cc3C2)OCCCO4)c1OC ZINC000028882532 561977131 /nfs/dbraw/zinc/97/71/31/561977131.db2.gz WMHHOUPYYPQZNK-UHFFFAOYSA-N 1 1 519.436 4.196 1 0 KIAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)c1ccco1 ZINC000028882923 561977417 /nfs/dbraw/zinc/97/74/17/561977417.db2.gz ZEURCXNRSOFMAK-GDWZEYGFSA-N 1 1 563.695 4.258 1 0 KIAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3cccc[n+]3[O-])CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897973 561979386 /nfs/dbraw/zinc/97/93/86/561979386.db2.gz PYOGILABXFGYCT-UHFFFAOYSA-N 1 1 578.088 4.260 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](O)c3ccc(O)cc3)sc21 ZINC000028901379 561980084 /nfs/dbraw/zinc/98/00/84/561980084.db2.gz MPOUGMGHBDTSGY-HSZRJFAPSA-N 1 1 512.031 4.054 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](O)c3ccc(O)cc3)sc21 ZINC000028901379 561980083 /nfs/dbraw/zinc/98/00/83/561980083.db2.gz MPOUGMGHBDTSGY-HSZRJFAPSA-N 1 1 512.031 4.054 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@H](O)c3ccc(O)cc3)sc21 ZINC000028901384 561980024 /nfs/dbraw/zinc/98/00/24/561980024.db2.gz MPOUGMGHBDTSGY-QHCPKHFHSA-N 1 1 512.031 4.054 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@H](O)c3ccc(O)cc3)sc21 ZINC000028901384 561980022 /nfs/dbraw/zinc/98/00/22/561980022.db2.gz MPOUGMGHBDTSGY-QHCPKHFHSA-N 1 1 512.031 4.054 1 0 KIAFMO Cn1cc(C(=O)NCc2cccc(Cl)c2)c(=O)c2cc(C[N@@H+](C)C[C@@H](O)c3ccc(F)cc3)sc21 ZINC000028901438 561980095 /nfs/dbraw/zinc/98/00/95/561980095.db2.gz HERDFPNBNDQOTJ-HSZRJFAPSA-N 1 1 514.022 4.488 1 0 KIAFMO Cn1cc(C(=O)NCc2cccc(Cl)c2)c(=O)c2cc(C[N@H+](C)C[C@@H](O)c3ccc(F)cc3)sc21 ZINC000028901438 561980094 /nfs/dbraw/zinc/98/00/94/561980094.db2.gz HERDFPNBNDQOTJ-HSZRJFAPSA-N 1 1 514.022 4.488 1 0 KIAFMO Cn1cc(C(=O)NCc2cccc(Cl)c2)c(=O)c2cc(C[N@@H+](C)C[C@H](O)c3ccc(F)cc3)sc21 ZINC000028901443 561979987 /nfs/dbraw/zinc/97/99/87/561979987.db2.gz HERDFPNBNDQOTJ-QHCPKHFHSA-N 1 1 514.022 4.488 1 0 KIAFMO Cn1cc(C(=O)NCc2cccc(Cl)c2)c(=O)c2cc(C[N@H+](C)C[C@H](O)c3ccc(F)cc3)sc21 ZINC000028901443 561979984 /nfs/dbraw/zinc/97/99/84/561979984.db2.gz HERDFPNBNDQOTJ-QHCPKHFHSA-N 1 1 514.022 4.488 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](O)c3cccs3)sc21 ZINC000028901573 561980098 /nfs/dbraw/zinc/98/00/98/561980098.db2.gz XJFZWKKOFCPKBD-HXUWFJFHSA-N 1 1 502.061 4.410 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](O)c3cccs3)sc21 ZINC000028901573 561980097 /nfs/dbraw/zinc/98/00/97/561980097.db2.gz XJFZWKKOFCPKBD-HXUWFJFHSA-N 1 1 502.061 4.410 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@H](O)c3cccs3)sc21 ZINC000028901578 561979980 /nfs/dbraw/zinc/97/99/80/561979980.db2.gz XJFZWKKOFCPKBD-FQEVSTJZSA-N 1 1 502.061 4.410 1 0 KIAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@H](O)c3cccs3)sc21 ZINC000028901578 561979979 /nfs/dbraw/zinc/97/99/79/561979979.db2.gz XJFZWKKOFCPKBD-FQEVSTJZSA-N 1 1 502.061 4.410 1 0 KIAFMO COc1cccc([C@@H](O)C[N@@H+](C)Cc2cc3c(s2)n(C)cc(C(=O)NCc2ccc(Cl)cc2)c3=O)c1 ZINC000028901609 561980043 /nfs/dbraw/zinc/98/00/43/561980043.db2.gz DGKPIAWUVWGZNL-DEOSSOPVSA-N 1 1 526.058 4.357 1 0 KIAFMO COc1cccc([C@@H](O)C[N@H+](C)Cc2cc3c(s2)n(C)cc(C(=O)NCc2ccc(Cl)cc2)c3=O)c1 ZINC000028901609 561980041 /nfs/dbraw/zinc/98/00/41/561980041.db2.gz DGKPIAWUVWGZNL-DEOSSOPVSA-N 1 1 526.058 4.357 1 0 KIAFMO COc1cccc([C@H](O)C[N@@H+](C)Cc2cc3c(s2)n(C)cc(C(=O)NCc2ccc(Cl)cc2)c3=O)c1 ZINC000028901614 561980088 /nfs/dbraw/zinc/98/00/88/561980088.db2.gz DGKPIAWUVWGZNL-XMMPIXPASA-N 1 1 526.058 4.357 1 0 KIAFMO COc1cccc([C@H](O)C[N@H+](C)Cc2cc3c(s2)n(C)cc(C(=O)NCc2ccc(Cl)cc2)c3=O)c1 ZINC000028901614 561980087 /nfs/dbraw/zinc/98/00/87/561980087.db2.gz DGKPIAWUVWGZNL-XMMPIXPASA-N 1 1 526.058 4.357 1 0 KIAFMO C[C@@H](C[N@@H+](C)Cc1cc2c(s1)n(CCO)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)c1ccco1 ZINC000028901702 561980071 /nfs/dbraw/zinc/98/00/71/561980071.db2.gz FFZYFYJLWPIUNN-KRWDZBQOSA-N 1 1 514.047 4.467 1 0 KIAFMO C[C@H](C[N@@H+](C)Cc1cc2c(s1)n(CCO)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)c1ccco1 ZINC000028901704 561979966 /nfs/dbraw/zinc/97/99/66/561979966.db2.gz FFZYFYJLWPIUNN-QGZVFWFLSA-N 1 1 514.047 4.467 1 0 KIAFMO CCC[N@H+]1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C2N=NC(=S)N2)C1 ZINC000028903226 561980166 /nfs/dbraw/zinc/98/01/66/561980166.db2.gz DRAXUTSANKJHDR-LADGPHEKSA-N 1 1 502.644 4.137 1 0 KIAFMO Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028949823 561980940 /nfs/dbraw/zinc/98/09/40/561980940.db2.gz IJYUZXAPJHBRJR-WDYNHAJCSA-N 1 1 604.199 4.037 1 0 KIAFMO CCCCCCC1(Cc2nnnn2C)CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028949836 561980927 /nfs/dbraw/zinc/98/09/27/561980927.db2.gz AZJWJBAXGKDQCY-WDYNHAJCSA-N 1 1 606.215 4.427 1 0 KIAFMO C[N@H+]1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OCc3ccccc3)C[C@H]21 ZINC000028949875 561981110 /nfs/dbraw/zinc/98/11/10/561981110.db2.gz MQBKGCCJZRCLOT-FKCDAAJZSA-N 1 1 554.720 4.049 1 0 KIAFMO CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)([NH3+])C(=O)OC2)S(C)(=O)=O ZINC000028949955 561981153 /nfs/dbraw/zinc/98/11/53/561981153.db2.gz LLXSJJHSWWXYCR-GRKNLSHJSA-N 1 1 563.720 4.283 1 0 KIAFMO CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)([NH3+])C(=O)OC2)S(=O)(=O)CC(F)(F)F ZINC000028950030 561981235 /nfs/dbraw/zinc/98/12/35/561981235.db2.gz LMGBDTMNESEYMB-GGXMVOPNSA-N 1 1 603.663 4.436 1 0 KIAFMO CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)([NH3+])C(=O)OC2)S(=O)(=O)C(F)(F)F ZINC000028950036 561981217 /nfs/dbraw/zinc/98/12/17/561981217.db2.gz XANFTRXAGZCIAS-LEAFIULHSA-N 1 1 589.636 4.393 1 0 KIAFMO COc1ccc(-c2nc(C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)c(C[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000028950239 561981208 /nfs/dbraw/zinc/98/12/08/561981208.db2.gz BJMBBXFCGSCMCV-CYBMUJFWSA-N 1 1 535.523 4.115 1 0 KIAFMO COc1ccc(-c2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(C[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000028950242 561981214 /nfs/dbraw/zinc/98/12/14/561981214.db2.gz PYQKWFDIHMQDQJ-UHFFFAOYSA-N 1 1 535.523 4.069 1 0 KIAFMO COc1ccc(-c2nc(C(=O)N3CCC(O)(c4ccccc4)CC3)c(C[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000028950246 561981220 /nfs/dbraw/zinc/98/12/20/561981220.db2.gz MZLGPWMELUQSRS-UHFFFAOYSA-N 1 1 526.515 4.500 1 0 KIAFMO COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cccc(OCc5ccccc5)n4)CC3)C[N@@H+](C)[C@@H]1C2 ZINC000028950324 561981264 /nfs/dbraw/zinc/98/12/64/561981264.db2.gz FXCGZOIUXOVRMD-STROYTFGSA-N 1 1 526.681 4.053 1 0 KIAFMO CC(=O)C1=NN(c2cc(Br)ccc2F)C[C@@]1(CCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953497 561982298 /nfs/dbraw/zinc/98/22/98/561982298.db2.gz BNJKWXPRZSOHBL-SANMLTNESA-N 1 1 529.454 4.236 1 0 KIAFMO CC(=O)C1=NN(c2cc(Br)ccc2F)C[C@]1(CCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953499 561982290 /nfs/dbraw/zinc/98/22/90/561982290.db2.gz BNJKWXPRZSOHBL-AREMUKBSSA-N 1 1 529.454 4.236 1 0 KIAFMO CC(=O)C1=NN(c2cc(C(F)(F)F)ccc2F)C[C@@]1(CCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953512 561982310 /nfs/dbraw/zinc/98/23/10/561982310.db2.gz OVPSSIXIRKPDEH-SANMLTNESA-N 1 1 518.555 4.492 1 0 KIAFMO CC(=O)C1=NN(c2cc(C(F)(F)F)ccc2F)C[C@]1(CCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953514 561982344 /nfs/dbraw/zinc/98/23/44/561982344.db2.gz OVPSSIXIRKPDEH-AREMUKBSSA-N 1 1 518.555 4.492 1 0 KIAFMO Cc1[nH+]c(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)c[n+]2[O-])c1F ZINC000028956128 561983001 /nfs/dbraw/zinc/98/30/01/561983001.db2.gz FQTRGRFZKPTFBR-UHFFFAOYSA-N 1 1 514.335 4.114 1 0 KIAFMO COC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975255 561986511 /nfs/dbraw/zinc/98/65/11/561986511.db2.gz DHQXUOIIIYPFBB-QZNHQXDQSA-N 1 1 545.681 4.326 1 0 KIAFMO CCC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975267 561986437 /nfs/dbraw/zinc/98/64/37/561986437.db2.gz VUHMEMLHQJXDJC-WMTXJRDZSA-N 1 1 543.709 4.497 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975271 561986502 /nfs/dbraw/zinc/98/65/02/561986502.db2.gz RRVDFHOPPCFMQT-QQKQFIJSSA-N 1 1 555.720 4.497 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975277 561986476 /nfs/dbraw/zinc/98/64/76/561986476.db2.gz VAPZFBXTIPERDF-WMTXJRDZSA-N 1 1 529.682 4.106 1 0 KIAFMO CCNC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975289 561986385 /nfs/dbraw/zinc/98/63/85/561986385.db2.gz WKMAJEHBPREIER-WMTXJRDZSA-N 1 1 558.724 4.289 1 0 KIAFMO CC(=O)CN1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000028975318 561986464 /nfs/dbraw/zinc/98/64/64/561986464.db2.gz KQPUQEUKQSELDJ-JBRSBNLGSA-N 1 1 543.709 4.149 1 0 KIAFMO COC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975375 561986586 /nfs/dbraw/zinc/98/65/86/561986586.db2.gz LZPOCRZQAOZURJ-QNWVGRARSA-N 1 1 545.681 4.326 1 0 KIAFMO CCC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975381 561986627 /nfs/dbraw/zinc/98/66/27/561986627.db2.gz FCEGPTNQXBCGQY-WPFOTENUSA-N 1 1 543.709 4.497 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)C3CC3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975386 561986582 /nfs/dbraw/zinc/98/65/82/561986582.db2.gz QYZCRHUUDLMPAO-UMXIMWEHSA-N 1 1 555.720 4.497 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(C)=O)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975388 561986676 /nfs/dbraw/zinc/98/66/76/561986676.db2.gz ZFRLEPMXXGKKBN-WPFOTENUSA-N 1 1 529.682 4.106 1 0 KIAFMO CCNC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975399 561986579 /nfs/dbraw/zinc/98/65/79/561986579.db2.gz PBDIBHOSSWBUEA-WPFOTENUSA-N 1 1 558.724 4.289 1 0 KIAFMO CC(=O)CN1CC[C@@H](C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)[C@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)C1 ZINC000028975427 561986631 /nfs/dbraw/zinc/98/66/31/561986631.db2.gz UNLORHRTORLFAX-SONWIMMPSA-N 1 1 543.709 4.149 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975463 561986605 /nfs/dbraw/zinc/98/66/05/561986605.db2.gz HAOJBCWTKNVFJG-QNWVGRARSA-N 1 1 501.672 4.190 1 0 KIAFMO CN(C)CC[NH2+][C@@H](C(=O)NCc1ccccc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1 ZINC000028976322 561986884 /nfs/dbraw/zinc/98/68/84/561986884.db2.gz BYZKEETTZOQSEE-AREMUKBSSA-N 1 1 501.656 4.245 1 0 KIAFMO CN(C)CC[NH2+][C@H](C(=O)NCc1ccccc1)c1ccc2cc(C(=O)Nc3ccccc3N)sc2c1 ZINC000028976328 561986871 /nfs/dbraw/zinc/98/68/71/561986871.db2.gz BYZKEETTZOQSEE-SANMLTNESA-N 1 1 501.656 4.245 1 0 KIAFMO C[NH+]1CCN([C@@H](C(=O)NCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976382 561986820 /nfs/dbraw/zinc/98/68/20/561986820.db2.gz WBPNLFRFTVBESQ-HHHXNRCGSA-N 1 1 513.667 4.341 1 0 KIAFMO C[NH+]1CCN([C@H](C(=O)NCc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976389 561986889 /nfs/dbraw/zinc/98/68/89/561986889.db2.gz WBPNLFRFTVBESQ-MHZLTWQESA-N 1 1 513.667 4.341 1 0 KIAFMO C[NH+]1CCN([C@@H](Cc2ccc(C(=O)Nc3ccccc3N)cc2)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000028976619 561986996 /nfs/dbraw/zinc/98/69/96/561986996.db2.gz CBUQIZJUUZMCSA-LJAQVGFWSA-N 1 1 507.638 4.472 1 0 KIAFMO C[NH+]1CCN([C@H](Cc2ccc(C(=O)Nc3ccccc3N)cc2)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000028976624 561987018 /nfs/dbraw/zinc/98/70/18/561987018.db2.gz CBUQIZJUUZMCSA-GDLZYMKVSA-N 1 1 507.638 4.472 1 0 KIAFMO C[C@H](CCC[NH+]1CCN(C)CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978203 561987677 /nfs/dbraw/zinc/98/76/77/561987677.db2.gz PJYJVOOEUMWBBK-GOSISDBHSA-N 1 1 500.492 4.097 1 0 KIAFMO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000028979805 561988487 /nfs/dbraw/zinc/98/84/87/561988487.db2.gz SIOWVROFOZTBLX-CYBMUJFWSA-N 1 1 501.493 4.135 1 0 KIAFMO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000028979808 561988386 /nfs/dbraw/zinc/98/83/86/561988386.db2.gz SIOWVROFOZTBLX-ZDUSSCGKSA-N 1 1 501.493 4.135 1 0 KIAFMO C[C@@H](NC(=O)Nc1cccc(-c2nnnn2C)c1)[C@@H](O)C[N@@H+](CCCc1ccc(F)cc1)C1CCCCC1 ZINC000029039057 561989459 /nfs/dbraw/zinc/98/94/59/561989459.db2.gz PNWLTYBLOADJOL-IBVKSMDESA-N 1 1 523.657 4.155 1 0 KIAFMO O=C(C[NH+]1CCCCC1)Nc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 ZINC000029048264 561993444 /nfs/dbraw/zinc/99/34/44/561993444.db2.gz CQPRHEXCEDEGFM-GDLZYMKVSA-N 1 1 548.594 4.010 1 0 KIAFMO O=C(C[NH+]1CCCCC1)Nc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 ZINC000029048267 561993432 /nfs/dbraw/zinc/99/34/32/561993432.db2.gz CQPRHEXCEDEGFM-LJAQVGFWSA-N 1 1 548.594 4.010 1 0 KIAFMO CC(C)C[N@@H+](C)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000029060615 561995631 /nfs/dbraw/zinc/99/56/31/561995631.db2.gz WGUOBMQAEOVIPD-UHFFFAOYSA-N 1 1 580.598 4.381 1 0 KIAFMO CC(C)C[N@H+](C)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000029060615 561995630 /nfs/dbraw/zinc/99/56/30/561995630.db2.gz WGUOBMQAEOVIPD-UHFFFAOYSA-N 1 1 580.598 4.381 1 0 KIAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)[NH2+]Cc3nccs3)c2=O)c1F ZINC000029061013 561995786 /nfs/dbraw/zinc/99/57/86/561995786.db2.gz SHSXQSNMXRKMPX-HNNXBMFYSA-N 1 1 530.572 4.094 1 0 KIAFMO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4c[nH]nn4)c3=O)CC2)C(C)C)c1 ZINC000029062365 561996063 /nfs/dbraw/zinc/99/60/63/561996063.db2.gz NHQJUQCJZBZVER-MHZLTWQESA-N 1 1 518.662 4.417 1 0 KIAFMO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4c[nH]nn4)c3=O)CC2)C(C)C)c1 ZINC000029062371 561996066 /nfs/dbraw/zinc/99/60/66/561996066.db2.gz NHQJUQCJZBZVER-HHHXNRCGSA-N 1 1 518.662 4.417 1 0 KIAFMO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4nnc[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029062786 561996149 /nfs/dbraw/zinc/99/61/49/561996149.db2.gz QMBXCQBKMMLGAG-SANMLTNESA-N 1 1 518.662 4.417 1 0 KIAFMO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(Cc4nnc[nH]4)c3=O)CC2)C(C)C)c1 ZINC000029062791 561996197 /nfs/dbraw/zinc/99/61/97/561996197.db2.gz QMBXCQBKMMLGAG-AREMUKBSSA-N 1 1 518.662 4.417 1 0 KIAFMO C[NH+](C)Cc1nccn1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029126070 561998430 /nfs/dbraw/zinc/99/84/30/561998430.db2.gz AIIIGKLNGWXHFW-XMMPIXPASA-N 1 1 556.063 4.354 1 0 KIAFMO C[NH+](C)Cc1nccn1-c1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029126071 561998400 /nfs/dbraw/zinc/99/84/00/561998400.db2.gz AIIIGKLNGWXHFW-DEOSSOPVSA-N 1 1 556.063 4.354 1 0 KIAFMO Cc1cc(-c2nc3cc4c(cc3o2)CC[N@@H+](CCCSc2nnc(-c3ocnc3C)n2C)CC4)n(C)n1 ZINC000029126803 561998897 /nfs/dbraw/zinc/99/88/97/561998897.db2.gz PXMXBPLOQSHMBE-UHFFFAOYSA-N 1 1 518.647 4.212 1 0 KIAFMO Cc1cc(-c2nc3c(ccc4c3CC[N@@H+](CCCSc3nnc(-c5ocnc5C)n3C)CC4)o2)n(C)n1 ZINC000029126826 561999064 /nfs/dbraw/zinc/99/90/64/561999064.db2.gz KHTUQDQSUXMHQA-UHFFFAOYSA-N 1 1 518.647 4.212 1 0 KIAFMO Cc1cnc(-c2nnc(SCCC[N@H+]3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)cn1 ZINC000029127103 561999423 /nfs/dbraw/zinc/99/94/23/561999423.db2.gz CLKWUUNGQCSMKW-UHFFFAOYSA-N 1 1 503.554 4.324 1 0 KIAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5c(cc4CC3)N(S(C)(=O)=O)CCO5)n2C)n1 ZINC000029127128 561999467 /nfs/dbraw/zinc/99/94/67/561999467.db2.gz UTIUIZHJMLEUQC-UHFFFAOYSA-N 1 1 578.764 4.080 1 0 KIAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5c(cc4CC3)N(C)C(=O)CO5)n2C)n1 ZINC000029127175 561999504 /nfs/dbraw/zinc/99/95/04/561999504.db2.gz ZENBFJWQHFZSBC-UHFFFAOYSA-N 1 1 528.682 4.277 1 0 KIAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5c(cc4CC3)OCC(=O)N5)n2C)n1 ZINC000029127236 561999688 /nfs/dbraw/zinc/99/96/88/561999688.db2.gz JQEQULOLEPTBRS-UHFFFAOYSA-N 1 1 514.655 4.253 1 0 KIAFMO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(CNC(=O)NCC[N@@H+](C2CCCCC2)C(C)(C)C)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029127524 561999933 /nfs/dbraw/zinc/99/99/33/561999933.db2.gz IDLOKINWITUJRI-VIBCZQBBSA-N 1 1 741.938 4.058 1 0 KIAFMO CN(C(=O)c1cccc(Nc2nc3nc4c(cnn42)CCCCC(=O)Nc2cccc(c2)N3)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000029129254 562001826 /nfs/dbraw/zinc/00/18/26/562001826.db2.gz LPKFYWMBFSGSHI-XMMPIXPASA-N 1 1 539.644 4.053 1 0 KIAFMO CN(C(=O)c1cccc(Nc2nc3nc4c(cnn42)CCCCC(=O)Nc2cccc(c2)N3)c1)[C@H]1CC[N@@H+](C)C1 ZINC000029129256 562001807 /nfs/dbraw/zinc/00/18/07/562001807.db2.gz LPKFYWMBFSGSHI-DEOSSOPVSA-N 1 1 539.644 4.053 1 0 KIAFMO C[C@H](C[C@@H](O)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-n2cccn2)cc(-n2cccn2)c1 ZINC000029129667 562002052 /nfs/dbraw/zinc/00/20/52/562002052.db2.gz MRKMZVYMRPCVIP-ZLIGTFTASA-N 1 1 531.636 4.370 1 0 KIAFMO CC(C)c1cc(NC(=O)N[C@H](C)C[C@@H](O)[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029129671 562002040 /nfs/dbraw/zinc/00/20/40/562002040.db2.gz VCIAJXLBWJRPBT-BNIKKZEQSA-N 1 1 523.657 4.313 1 0 KIAFMO CCc1cc(NC(=O)N[C@H](C)C[C@H](N2CCC[C@@H](Cc3ccc(F)cc3)C2)[NH+](C)C)cc(-c2nnnn2C)c1 ZINC000029129992 562002296 /nfs/dbraw/zinc/00/22/96/562002296.db2.gz FGWVPTQNIIZCGL-CGHRXAFASA-N 1 1 536.700 4.321 1 0 KIAFMO CCc1cc(NC(=O)N[C@H](C)C[C@@H](N(C)C)[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029129992 562002295 /nfs/dbraw/zinc/00/22/95/562002295.db2.gz FGWVPTQNIIZCGL-CGHRXAFASA-N 1 1 536.700 4.321 1 0 KIAFMO CC(C)C[C@H](C[C@@H](O)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000029130079 562002273 /nfs/dbraw/zinc/00/22/73/562002273.db2.gz LVNMVTRHDJLKCU-RMUDUWAUSA-N 1 1 523.657 4.216 1 0 KIAFMO CC[C@H](CC[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2nnnn2C)cc(C(C)(C)O)c1 ZINC000029130149 562002243 /nfs/dbraw/zinc/00/22/43/562002243.db2.gz NQAYKLXCSBWKMD-SQJMNOBHSA-N 1 1 537.684 4.489 1 0 KIAFMO CC(=O)c1cc(NC(=O)N[C@H](C)CC[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029130207 562002390 /nfs/dbraw/zinc/00/23/90/562002390.db2.gz NXSAJAWQRXMZIP-NQIIRXRSSA-N 1 1 507.614 4.074 1 0 KIAFMO CC(C)[N@@H+](C)Cc1nccn1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131333 562002972 /nfs/dbraw/zinc/00/29/72/562002972.db2.gz AEASBNXMBGMIRQ-CWUFLNSKSA-N 1 1 552.097 4.262 1 0 KIAFMO CC(C)[N@H+](C)Cc1nccn1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131333 562002971 /nfs/dbraw/zinc/00/29/71/562002971.db2.gz AEASBNXMBGMIRQ-CWUFLNSKSA-N 1 1 552.097 4.262 1 0 KIAFMO CC(C)[N@@H+](C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131335 562003020 /nfs/dbraw/zinc/00/30/20/562003020.db2.gz AEASBNXMBGMIRQ-SQSZOCELSA-N 1 1 552.097 4.262 1 0 KIAFMO CC(C)[N@H+](C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131335 562003019 /nfs/dbraw/zinc/00/30/19/562003019.db2.gz AEASBNXMBGMIRQ-SQSZOCELSA-N 1 1 552.097 4.262 1 0 KIAFMO O=C1[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2C[NH+]2CCCC2)cc1F ZINC000029131406 562002988 /nfs/dbraw/zinc/00/29/88/562002988.db2.gz JOYIXYJPYBKNIH-OAZIQKMDSA-N 1 1 550.081 4.018 1 0 KIAFMO O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2C[NH+]2CCCC2)cc1F ZINC000029131409 562002982 /nfs/dbraw/zinc/00/29/82/562002982.db2.gz JOYIXYJPYBKNIH-MXECYCPESA-N 1 1 550.081 4.018 1 0 KIAFMO C[NH+](C)Cc1cn(-c2ccc(N3CC[C@@H](NS(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)cn1 ZINC000029131501 562003158 /nfs/dbraw/zinc/00/31/58/562003158.db2.gz QKWTYEGYLQSEDP-HXUWFJFHSA-N 1 1 548.065 4.025 1 0 KIAFMO C[NH+](C)Cc1cn(-c2ccc(N3CC[C@H](NS(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)cn1 ZINC000029131503 562003152 /nfs/dbraw/zinc/00/31/52/562003152.db2.gz QKWTYEGYLQSEDP-FQEVSTJZSA-N 1 1 548.065 4.025 1 0 KIAFMO C[NH+](C)Cc1ccn(-c2ccc(N3CC[C@@H](NS(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)n1 ZINC000029131505 562003237 /nfs/dbraw/zinc/00/32/37/562003237.db2.gz HIRJHHRYKAGMDW-HXUWFJFHSA-N 1 1 548.065 4.025 1 0 KIAFMO C[NH+](C)Cc1ccn(-c2ccc(N3CC[C@H](NS(=O)(=O)c4cc5ccc(Cl)cc5s4)C3=O)c(F)c2)n1 ZINC000029131507 562003167 /nfs/dbraw/zinc/00/31/67/562003167.db2.gz HIRJHHRYKAGMDW-FQEVSTJZSA-N 1 1 548.065 4.025 1 0 KIAFMO CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@H+]4CC3CC3)[C@H]2O6)cc1 ZINC000029132706 562003446 /nfs/dbraw/zinc/00/34/46/562003446.db2.gz RGKLBBLQXCRDJL-HKJMSVEDSA-N 1 1 561.679 4.102 1 0 KIAFMO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1 ZINC000029133714 562003671 /nfs/dbraw/zinc/00/36/71/562003671.db2.gz QEKJEYIXQCJHHA-XGTKUTNFSA-N 1 1 515.437 4.062 1 0 KIAFMO Cc1ccc(O)c(Cn2c3cc(CNc4ccccc4CCCO)ccc3nc2NCCC[NH+]2CCOCC2)n1 ZINC000029134515 562004112 /nfs/dbraw/zinc/00/41/12/562004112.db2.gz RFXPDFHTFPGLRA-UHFFFAOYSA-N 1 1 544.700 4.165 1 0 KIAFMO Cc1cc(C)cc(N(CCO)Cc2ccc3nc(NCCC[NH+]4CCOCC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134690 562004240 /nfs/dbraw/zinc/00/42/40/562004240.db2.gz GMRRTLYAFOKKLM-UHFFFAOYSA-N 1 1 558.727 4.244 1 0 KIAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(NCCC[NH+]2CCOCC2)nc1 ZINC000029135550 562004495 /nfs/dbraw/zinc/00/44/95/562004495.db2.gz RETBYBLRWLXQHI-UHFFFAOYSA-N 1 1 542.562 4.443 1 0 KIAFMO O[C@@H]1CCC[N@@H+](CCCNc2nc(Nc3ccc(I)cc3)nc3ccccc32)C1 ZINC000029204054 562004924 /nfs/dbraw/zinc/00/49/24/562004924.db2.gz LBAZJOXDPFSODG-GOSISDBHSA-N 1 1 503.388 4.237 1 0 KIAFMO O[C@H]1CCC[N@@H+](CCCNc2nc(Nc3ccc(I)cc3)nc3ccccc32)C1 ZINC000029204059 562004907 /nfs/dbraw/zinc/00/49/07/562004907.db2.gz LBAZJOXDPFSODG-SFHVURJKSA-N 1 1 503.388 4.237 1 0 KIAFMO C=CC(=O)Nc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1cccc(Br)c1 ZINC000029205422 562005073 /nfs/dbraw/zinc/00/50/73/562005073.db2.gz RSAVYUKMYLHWGE-UHFFFAOYSA-N 1 1 512.408 4.362 1 0 KIAFMO CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211171 562005764 /nfs/dbraw/zinc/00/57/64/562005764.db2.gz AFMMJJGNRQFDRG-WZONZLPQSA-N 1 1 504.075 4.384 1 0 KIAFMO CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211176 562005772 /nfs/dbraw/zinc/00/57/72/562005772.db2.gz AFMMJJGNRQFDRG-FDDCHVKYSA-N 1 1 504.075 4.384 1 0 KIAFMO CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211181 562005785 /nfs/dbraw/zinc/00/57/85/562005785.db2.gz AFMMJJGNRQFDRG-JPYJTQIMSA-N 1 1 504.075 4.384 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000029211186 562005800 /nfs/dbraw/zinc/00/58/00/562005800.db2.gz AFMMJJGNRQFDRG-MBSDFSHPSA-N 1 1 504.075 4.384 1 0 KIAFMO Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC(=O)N32)cc1 ZINC000029217153 562006710 /nfs/dbraw/zinc/00/67/10/562006710.db2.gz JUIQWFAFVNBCAY-HVOSOHGQSA-N 1 1 504.634 4.436 1 0 KIAFMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC(=O)N32)cc1 ZINC000029217938 562006849 /nfs/dbraw/zinc/00/68/49/562006849.db2.gz IXQVSPJASYAWGA-MRLTYDNFSA-N 1 1 520.633 4.136 1 0 KIAFMO COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC(=O)N32)c1 ZINC000029220828 562007177 /nfs/dbraw/zinc/00/71/77/562007177.db2.gz OPZLETNOMBODDJ-MRLTYDNFSA-N 1 1 520.633 4.136 1 0 KIAFMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC(=O)N32)cc1OC ZINC000029222473 562007499 /nfs/dbraw/zinc/00/74/99/562007499.db2.gz HNZPKXUYPCLKGI-YYKZIPJASA-N 1 1 550.659 4.145 1 0 KIAFMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC(=O)N32)cc1C ZINC000029224177 562007740 /nfs/dbraw/zinc/00/77/40/562007740.db2.gz YCSWCNCACZJGIZ-DHWOFANNSA-N 1 1 534.660 4.444 1 0 KIAFMO Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Cl)c(Cl)c3)C(=O)OC3CCCCC3)c(=O)n21 ZINC000029225795 562008122 /nfs/dbraw/zinc/00/81/22/562008122.db2.gz JUSFPWQJAFZMKW-ZEQRLZLVSA-N 1 1 647.585 4.041 1 0 KIAFMO Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@@H](CSc3ccc(Cl)c(Cl)c3)C(=O)OC3CCCCC3)c(=O)n21 ZINC000029225800 562008114 /nfs/dbraw/zinc/00/81/14/562008114.db2.gz JUSFPWQJAFZMKW-RPWUZVMVSA-N 1 1 647.585 4.041 1 0 KIAFMO Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Cl)c(Cl)c3)C(=O)OC3CCCCC3)c(=O)n21 ZINC000029225806 562008110 /nfs/dbraw/zinc/00/81/10/562008110.db2.gz JUSFPWQJAFZMKW-BJKOFHAPSA-N 1 1 647.585 4.041 1 0 KIAFMO Cc1[nH+]c(N)ccc1CNC(=O)[C@H]1C=CCn2c(=O)n([C@H](CSc3ccc(Cl)c(Cl)c3)C(=O)OC3CCCCC3)c(=O)n21 ZINC000029225814 562008140 /nfs/dbraw/zinc/00/81/40/562008140.db2.gz JUSFPWQJAFZMKW-DNQXCXABSA-N 1 1 647.585 4.041 1 0 KIAFMO COc1ccc(SCCC[N@@H+](C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC ZINC000029252753 562011408 /nfs/dbraw/zinc/01/14/08/562011408.db2.gz SNKZNQFOYLYWQC-UHFFFAOYSA-N 1 1 502.677 4.153 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@](O)(CO)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342313 562015517 /nfs/dbraw/zinc/01/55/17/562015517.db2.gz ARDCKWVEEJWENX-IONGPAKJSA-N 1 1 716.968 4.478 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@](O)(CO)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342317 562015511 /nfs/dbraw/zinc/01/55/11/562015511.db2.gz ARDCKWVEEJWENX-ONDSPDDRSA-N 1 1 716.968 4.478 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@](O)(CO)C[N@H+](CC(=O)NC(C)(C)C)CC1CCCCC1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029344738 562016030 /nfs/dbraw/zinc/01/60/30/562016030.db2.gz NXFHVWKUZJNVKW-UQOSACDVSA-N 1 1 704.957 4.479 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@](O)(CO)C[N@H+](CC(=O)NC(C)(C)C)CC1CCCCC1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029344741 562015983 /nfs/dbraw/zinc/01/59/83/562015983.db2.gz NXFHVWKUZJNVKW-HHYDMREKSA-N 1 1 704.957 4.479 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)OC ZINC000029345905 562016238 /nfs/dbraw/zinc/01/62/38/562016238.db2.gz MULIVNLWGBITIW-XYNPHDJOSA-N 1 1 571.803 4.096 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)OC ZINC000029345909 562016251 /nfs/dbraw/zinc/01/62/51/562016251.db2.gz MULIVNLWGBITIW-LQTCKBPESA-N 1 1 571.803 4.096 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029348402 562016572 /nfs/dbraw/zinc/01/65/72/562016572.db2.gz TZZRRBGCPAKVFR-YHSLUOHBSA-N 1 1 632.850 4.089 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029348406 562016699 /nfs/dbraw/zinc/01/66/99/562016699.db2.gz TZZRRBGCPAKVFR-KDYACMPRSA-N 1 1 632.850 4.089 1 0 KIAFMO O=C(C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)N[C@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000029388888 562016897 /nfs/dbraw/zinc/01/68/97/562016897.db2.gz JQMREUPMHOSZAS-IZLXSDGUSA-N 1 1 515.633 4.264 1 0 KIAFMO O=C(C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)N[C@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000029388891 562016902 /nfs/dbraw/zinc/01/69/02/562016902.db2.gz JQMREUPMHOSZAS-NSOVKSMOSA-N 1 1 515.633 4.264 1 0 KIAFMO O=C(C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)N[C@@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000029388894 562016893 /nfs/dbraw/zinc/01/68/93/562016893.db2.gz JQMREUPMHOSZAS-VSGBNLITSA-N 1 1 515.633 4.264 1 0 KIAFMO O=C(C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000029388898 562016905 /nfs/dbraw/zinc/01/69/05/562016905.db2.gz JQMREUPMHOSZAS-WUFINQPMSA-N 1 1 515.633 4.264 1 0 KIAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)N[C@@H]1CCCc2ccccc21 ZINC000029389129 562016876 /nfs/dbraw/zinc/01/68/76/562016876.db2.gz YVFNSPWDFLIQGC-VOKYQHOCSA-N 1 1 619.615 4.358 1 0 KIAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)N[C@H]1CCCc2ccccc21 ZINC000029389133 562016881 /nfs/dbraw/zinc/01/68/81/562016881.db2.gz YVFNSPWDFLIQGC-LUXHBGHRSA-N 1 1 619.615 4.358 1 0 KIAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000029389814 562017019 /nfs/dbraw/zinc/01/70/19/562017019.db2.gz OAFMEAWUYFZEGB-YIXXDRMTSA-N 1 1 647.547 4.500 1 0 KIAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4c5ncc(-c6ccccc6)nc5sc4c3=O)C[C@@H]21 ZINC000029390439 562017170 /nfs/dbraw/zinc/01/71/70/562017170.db2.gz SOGCXTGAWYRHQU-GHTZIAJQSA-N 1 1 525.634 4.444 1 0 KIAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4c5nc(-c6ccccc6)cnc5sc4c3=O)C[C@@H]21 ZINC000029390442 562017304 /nfs/dbraw/zinc/01/73/04/562017304.db2.gz QQGYNGUUZMLKBV-GHTZIAJQSA-N 1 1 525.634 4.444 1 0 KIAFMO O=C(C[C@H]1S[C@H](c2cccc(C(F)(F)F)c2)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029391282 562017389 /nfs/dbraw/zinc/01/73/89/562017389.db2.gz QNWFYMQOTXQSBJ-DLFZDVPBSA-N 1 1 628.717 4.346 1 0 KIAFMO C[C@@H](NC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000029391585 562017384 /nfs/dbraw/zinc/01/73/84/562017384.db2.gz ZXXLWKKFCLKYQY-WJPVBLRZSA-N 1 1 593.577 4.042 1 0 KIAFMO O=C(C[C@H]1S[C@H](c2ccc(F)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029391622 562017540 /nfs/dbraw/zinc/01/75/40/562017540.db2.gz SFYPMGNXWIDSRM-DLFZDVPBSA-N 1 1 613.155 4.120 1 0 KIAFMO Cc1c(Cl)cccc1CNC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000029391990 562017538 /nfs/dbraw/zinc/01/75/38/562017538.db2.gz IULWOQFNJWUIBL-UFHPHHKVSA-N 1 1 628.022 4.443 1 0 KIAFMO Cn1nnnc1-c1cc(Br)cc(NC(=O)NCCC[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000029392844 562017753 /nfs/dbraw/zinc/01/77/53/562017753.db2.gz SIYOVEYXDHCEIT-SFHVURJKSA-N 1 1 530.446 4.245 1 0 KIAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc(Cl)c1 ZINC000029393292 562017963 /nfs/dbraw/zinc/01/79/63/562017963.db2.gz BHYCCHRGZDUBFA-YIXXDRMTSA-N 1 1 613.995 4.134 1 0 KIAFMO C[C@H](NC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000029393317 562017896 /nfs/dbraw/zinc/01/78/96/562017896.db2.gz ZXXLWKKFCLKYQY-HGIQPGCESA-N 1 1 593.577 4.042 1 0 KIAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1ccccc1Cl ZINC000029393500 562018017 /nfs/dbraw/zinc/01/80/17/562018017.db2.gz STINNYHPXUKFAS-YIXXDRMTSA-N 1 1 613.995 4.134 1 0 KIAFMO Cc1cccc(CNC(=O)C[C@H]2S[C@H](c3ccc(Cl)cc3Cl)N(CC(=O)NCCC[NH+]3CCOCC3)C2=O)c1C ZINC000029395472 562018406 /nfs/dbraw/zinc/01/84/06/562018406.db2.gz KLSPPLPVUSPEIE-VAVYLYDRSA-N 1 1 607.604 4.098 1 0 KIAFMO O=C(C[NH+]1CCC(NC(=O)Oc2ccccc2)CC1)N[C@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000029403342 562020117 /nfs/dbraw/zinc/02/01/17/562020117.db2.gz FLEICQAZZSMKIO-IZLXSDGUSA-N 1 1 516.617 4.231 1 0 KIAFMO O=C(C[NH+]1CCC(NC(=O)Oc2ccccc2)CC1)N[C@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000029403347 562020184 /nfs/dbraw/zinc/02/01/84/562020184.db2.gz FLEICQAZZSMKIO-NSOVKSMOSA-N 1 1 516.617 4.231 1 0 KIAFMO O=C(C[NH+]1CCC(NC(=O)Oc2ccccc2)CC1)N[C@@H]1CCc2cc(F)ccc2[C@H]1Cc1cccnc1 ZINC000029403353 562020176 /nfs/dbraw/zinc/02/01/76/562020176.db2.gz FLEICQAZZSMKIO-VSGBNLITSA-N 1 1 516.617 4.231 1 0 KIAFMO O=C(C[NH+]1CCC(NC(=O)Oc2ccccc2)CC1)N[C@@H]1CCc2cc(F)ccc2[C@@H]1Cc1cccnc1 ZINC000029403358 562020199 /nfs/dbraw/zinc/02/01/99/562020199.db2.gz FLEICQAZZSMKIO-WUFINQPMSA-N 1 1 516.617 4.231 1 0 KIAFMO CN1CC[NH+](CCOc2ccc(C[C@H](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)CC1 ZINC000029405091 562020549 /nfs/dbraw/zinc/02/05/49/562020549.db2.gz XJMAXQMSDUBZFJ-SZNOJMITSA-N 1 1 686.894 4.133 1 0 KIAFMO CN1CC[NH+](CCOc2ccc(C[C@H](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)cc2)CC1 ZINC000029405094 562020570 /nfs/dbraw/zinc/02/05/70/562020570.db2.gz XJMAXQMSDUBZFJ-LMRQRCQZSA-N 1 1 686.894 4.133 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)Cc3ccccn3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029408354 562021229 /nfs/dbraw/zinc/02/12/29/562021229.db2.gz MFVGDCLUAMQMFZ-HIYJGCFHSA-N 1 1 532.593 4.074 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)Cc3ccccn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029408357 562021268 /nfs/dbraw/zinc/02/12/68/562021268.db2.gz MFVGDCLUAMQMFZ-PFFNZIMVSA-N 1 1 532.593 4.074 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)Cc3ccncc3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029410789 562021731 /nfs/dbraw/zinc/02/17/31/562021731.db2.gz AHJOGOXESOREDZ-HIYJGCFHSA-N 1 1 532.593 4.074 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+](C)Cc3ccncc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029410792 562021709 /nfs/dbraw/zinc/02/17/09/562021709.db2.gz AHJOGOXESOREDZ-PFFNZIMVSA-N 1 1 532.593 4.074 1 0 KIAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029413482 562022297 /nfs/dbraw/zinc/02/22/97/562022297.db2.gz WVGOIUMQMGQGRZ-DNNCLPCDSA-N 1 1 643.825 4.339 1 0 KIAFMO CCOC(=O)C1=C(COCCN2CCN(CC[NH+](CC)CC)CC2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029463061 562023411 /nfs/dbraw/zinc/02/34/11/562023411.db2.gz FGEWODDSZAAYKH-MCKMWFOCSA-N 1 1 577.166 4.107 1 0 KIAFMO CCOC(=O)C1=C(COCCN2CCN(CC[NH+](CC)CC)CC2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029463067 562023375 /nfs/dbraw/zinc/02/33/75/562023375.db2.gz FGEWODDSZAAYKH-TVLNSTGRSA-N 1 1 577.166 4.107 1 0 KIAFMO COc1cc2[nH+]c(N3CCN(c4nc(Oc5ccccc5)nc(Oc5ccccc5)n4)CC3)nc(N)c2cc1OC ZINC000029480623 562027248 /nfs/dbraw/zinc/02/72/48/562027248.db2.gz GLOSBDXOSBTCPC-UHFFFAOYSA-N 1 1 552.595 4.325 1 0 KIAFMO CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1 ZINC000029480907 562027311 /nfs/dbraw/zinc/02/73/11/562027311.db2.gz KRDFQZRYJYVLNB-CONSDPRKSA-N 1 1 550.788 4.460 1 0 KIAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000029486572 562028535 /nfs/dbraw/zinc/02/85/35/562028535.db2.gz PESZUJHLDOLVBB-HHHXNRCGSA-N 1 1 568.139 4.355 1 0 KIAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000029486576 562028538 /nfs/dbraw/zinc/02/85/38/562028538.db2.gz PESZUJHLDOLVBB-MHZLTWQESA-N 1 1 568.139 4.355 1 0 KIAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3cccc(Cl)c3)CC2)c2ccccc21 ZINC000029486583 562028510 /nfs/dbraw/zinc/02/85/10/562028510.db2.gz XSXYCPWLRYRFKU-HHHXNRCGSA-N 1 1 568.139 4.355 1 0 KIAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3cccc(Cl)c3)CC2)c2ccccc21 ZINC000029486587 562028492 /nfs/dbraw/zinc/02/84/92/562028492.db2.gz XSXYCPWLRYRFKU-MHZLTWQESA-N 1 1 568.139 4.355 1 0 KIAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3cccc(Br)c3)CC2)c2ccccc21 ZINC000029488364 562028809 /nfs/dbraw/zinc/02/88/09/562028809.db2.gz ZEDVVHHQUVTDHF-HHHXNRCGSA-N 1 1 612.590 4.464 1 0 KIAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3cccc(Br)c3)CC2)c2ccccc21 ZINC000029488367 562028780 /nfs/dbraw/zinc/02/87/80/562028780.db2.gz ZEDVVHHQUVTDHF-MHZLTWQESA-N 1 1 612.590 4.464 1 0 KIAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3cc4sccc4s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029556329 562032194 /nfs/dbraw/zinc/03/21/94/562032194.db2.gz FVPLDCLMENGNJU-QPNMCIIHSA-N 1 1 704.981 4.274 1 0 KIAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3cc4sccc4s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029556329 562032191 /nfs/dbraw/zinc/03/21/91/562032191.db2.gz FVPLDCLMENGNJU-QPNMCIIHSA-N 1 1 704.981 4.274 1 0 KIAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3cc4ccsc4s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029556333 562032186 /nfs/dbraw/zinc/03/21/86/562032186.db2.gz KDLXYIKRRNIZGK-ATAZIPLOSA-N 1 1 704.981 4.274 1 0 KIAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3cc4ccsc4s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029556333 562032184 /nfs/dbraw/zinc/03/21/84/562032184.db2.gz KDLXYIKRRNIZGK-ATAZIPLOSA-N 1 1 704.981 4.274 1 0 KIAFMO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3cc4ccccc4s3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029556559 562032217 /nfs/dbraw/zinc/03/22/17/562032217.db2.gz YKFONWPAYRGADG-AHXSUKCRSA-N 1 1 698.952 4.212 1 0 KIAFMO CC1=C(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)[C@H](c2cccc3c2OCO3)C(C(=O)OC(C)C)=C(C)N1 ZINC000031284338 562035977 /nfs/dbraw/zinc/03/59/77/562035977.db2.gz ZGRIPYHIFXGCHR-SANMLTNESA-N 1 1 524.589 4.416 1 0 in-man KIAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3nnc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817883 562037536 /nfs/dbraw/zinc/03/75/36/562037536.db2.gz HVBRVLCGEPYEFA-SKBVVQJISA-N 1 1 505.638 4.407 1 0 KIAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc4cnccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817884 562037497 /nfs/dbraw/zinc/03/74/97/562037497.db2.gz WLPDSYHWEUFHNA-SKBVVQJISA-N 1 1 505.638 4.407 1 0 KIAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc4ncccn34)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817886 562037583 /nfs/dbraw/zinc/03/75/83/562037583.db2.gz SIQBUQVKMLJSTH-SKBVVQJISA-N 1 1 505.638 4.407 1 0 KIAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc4cccnn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817888 562037598 /nfs/dbraw/zinc/03/75/98/562037598.db2.gz BOGAYSMNQZYGTC-SKBVVQJISA-N 1 1 505.638 4.407 1 0 KIAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cn4ccncc4n3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817892 562037506 /nfs/dbraw/zinc/03/75/06/562037506.db2.gz PTNCFTCNBNAIGZ-VXQMPNGUSA-N 1 1 505.638 4.407 1 0 KIAFMO C[NH+](C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1 ZINC000034251981 562038514 /nfs/dbraw/zinc/03/85/14/562038514.db2.gz HXYFTCBUYCZYRZ-UHFFFAOYSA-N 1 1 510.480 4.114 1 0 KIAFMO COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CC[NH+](C)CC2)c2ccccc21 ZINC000034801074 562041071 /nfs/dbraw/zinc/04/10/71/562041071.db2.gz ADLYXAHODXNVQT-UHFFFAOYSA-N 1 1 506.006 4.479 1 0 KIAFMO CCC[N@@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034803009 562042328 /nfs/dbraw/zinc/04/23/28/562042328.db2.gz JZNXPJAWGWXJFX-UHFFFAOYSA-N 1 1 539.587 4.029 1 0 KIAFMO CCC[N@@H+](CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC ZINC000034803040 562042453 /nfs/dbraw/zinc/04/24/53/562042453.db2.gz ARQPPPCSTGSCQR-UHFFFAOYSA-N 1 1 569.613 4.038 1 0 KIAFMO COc1cc2c(cc1OCCC[N@@H+](CCO)CC(C)C)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034803044 562042460 /nfs/dbraw/zinc/04/24/60/562042460.db2.gz GTEPNHLYGWAOMI-UHFFFAOYSA-N 1 1 583.640 4.284 1 0 KIAFMO CCn1c2c(C(=O)Nc3cccc(Cl)c3C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000034871684 562043812 /nfs/dbraw/zinc/04/38/12/562043812.db2.gz HCOXPHTWWYJRAM-UHFFFAOYSA-N 1 1 506.006 4.297 1 0 KIAFMO CCn1c2c(C(=O)Nc3cccc(Cl)c3C)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000034871684 562043810 /nfs/dbraw/zinc/04/38/10/562043810.db2.gz HCOXPHTWWYJRAM-UHFFFAOYSA-N 1 1 506.006 4.297 1 0 KIAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000034946415 562044072 /nfs/dbraw/zinc/04/40/72/562044072.db2.gz DSUNZEZCXUMUEH-MHZLTWQESA-N 1 1 512.676 4.455 1 0 in-vitro KIAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000034946417 562043998 /nfs/dbraw/zinc/04/39/98/562043998.db2.gz DSUNZEZCXUMUEH-HHHXNRCGSA-N 1 1 512.676 4.455 1 0 KIAFMO O=C(C/C=C/c1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000035050546 562044453 /nfs/dbraw/zinc/04/44/53/562044453.db2.gz RTHVXJQJBKWTIT-YIEUXPRJSA-N 1 1 519.041 4.406 1 0 KIAFMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCc5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000035050549 562044385 /nfs/dbraw/zinc/04/43/85/562044385.db2.gz UJSYTVDGBUQRBX-QVDUQQMDSA-N 1 1 521.057 4.239 1 0 KIAFMO O=C(CCCc1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000035050555 562044603 /nfs/dbraw/zinc/04/46/03/562044603.db2.gz CPQPWWQOZGDNGK-QVDUQQMDSA-N 1 1 521.057 4.326 1 0 KIAFMO C[C@H](Nc1c(-c2c(F)cc(OCCC[NH+]3CCOCC3)cc2F)c(Cl)nc2ncnn21)C(F)(F)F ZINC000035090921 562044702 /nfs/dbraw/zinc/04/47/02/562044702.db2.gz QKXFUKJAICMMGW-LBPRGKRZSA-N 1 1 520.890 4.187 1 0 KIAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000035803024 562045387 /nfs/dbraw/zinc/04/53/87/562045387.db2.gz DOSHNBBCJANGSE-AREMUKBSSA-N 1 1 511.960 4.482 1 0 KIAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000035803025 562045337 /nfs/dbraw/zinc/04/53/37/562045337.db2.gz DOSHNBBCJANGSE-SANMLTNESA-N 1 1 511.960 4.482 1 0 KIAFMO Cc1c(C(=O)NCCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1 ZINC000035835717 562045522 /nfs/dbraw/zinc/04/55/22/562045522.db2.gz AARWRAFDYZSYPD-UHFFFAOYSA-N 1 1 501.462 4.274 1 0 KIAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccccc2Cl)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000035953481 562045945 /nfs/dbraw/zinc/04/59/45/562045945.db2.gz WHOZXYDWVXCOBP-AREMUKBSSA-N 1 1 511.960 4.482 1 0 KIAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccccc2Cl)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000035953482 562045879 /nfs/dbraw/zinc/04/58/79/562045879.db2.gz WHOZXYDWVXCOBP-SANMLTNESA-N 1 1 511.960 4.482 1 0 KIAFMO CC(=O)Nc1ccc2c(c1)C[C@H](N(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000035953543 562045951 /nfs/dbraw/zinc/04/59/51/562045951.db2.gz NDXIREGXKRWDPJ-XMMPIXPASA-N 1 1 516.061 4.466 1 0 KIAFMO CC(=O)Nc1ccc2c(c1)C[C@@H](N(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000035953544 562045918 /nfs/dbraw/zinc/04/59/18/562045918.db2.gz NDXIREGXKRWDPJ-DEOSSOPVSA-N 1 1 516.061 4.466 1 0 KIAFMO COc1cc(C(=O)NN2c3ccccc3N=C(N3CC[NH+](C)CC3)c3cc(Cl)ccc32)cc(OC)c1OC ZINC000036089407 562046957 /nfs/dbraw/zinc/04/69/57/562046957.db2.gz GBUIXGKLAPQZFJ-UHFFFAOYSA-N 1 1 536.032 4.488 1 0 KIAFMO COc1cc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CC[NH+](C)CC3)c3ccccc32)cc(OC)c1OC ZINC000036089466 562047111 /nfs/dbraw/zinc/04/71/11/562047111.db2.gz PUAJJDPOGQASSI-UHFFFAOYSA-N 1 1 536.032 4.488 1 0 KIAFMO COc1cccc(OC)c1C(=O)NN1c2ccccc2N=C(N2CC[NH+](C)CC2)c2cc(Cl)ccc21 ZINC000036089502 562047050 /nfs/dbraw/zinc/04/70/50/562047050.db2.gz XNTIHSLDWFOSCV-UHFFFAOYSA-N 1 1 506.006 4.479 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139708 562047823 /nfs/dbraw/zinc/04/78/23/562047823.db2.gz ZAAHWJMMDZYDIP-FZALEWBBSA-N 1 1 575.794 4.166 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139713 581099330 /nfs/dbraw/zinc/09/93/30/581099330.db2.gz ZAAHWJMMDZYDIP-UGVPCDPQSA-N 1 1 575.794 4.166 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139716 562047851 /nfs/dbraw/zinc/04/78/51/562047851.db2.gz ZAAHWJMMDZYDIP-OTDVUZTKSA-N 1 1 575.794 4.166 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139720 581099198 /nfs/dbraw/zinc/09/91/98/581099198.db2.gz ZAAHWJMMDZYDIP-GOCBRBCHSA-N 1 1 575.794 4.166 1 0 KIAFMO O=Cc1ccc(C(=O)Nc2cccc3c4c([nH]c32)[C@H]2Oc3c5c(ccc3O)C[C@H]3[N@H+](CC6CC6)CC[C@]52[C@@]3(O)C4)cc1C=O ZINC000036190465 562051096 /nfs/dbraw/zinc/05/10/96/562051096.db2.gz QWQJCNFKUGDCGU-RGCAUABWSA-N 1 1 589.648 4.450 1 0 KIAFMO CCOC(=O)[C@@]12C[N@H+](C)C[C@@](C(=O)OCC)(C1=O)[C@H](c1ccc(Cl)cc1)N(C)[C@@H]2c1ccc(Cl)cc1 ZINC000036221418 562051416 /nfs/dbraw/zinc/05/14/16/562051416.db2.gz QRAPNWUNVRQZHN-STPMEKMUSA-N 1 1 533.452 4.335 1 0 KIAFMO O=C(/C=C/c1ccccc1Cl)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000036221607 562051422 /nfs/dbraw/zinc/05/14/22/562051422.db2.gz XJIJVLIGDNTFBP-DCKFNVBLSA-N 1 1 505.014 4.016 1 0 KIAFMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000036221641 562051427 /nfs/dbraw/zinc/05/14/27/562051427.db2.gz MZQXVMRVTJDWCK-RVVCTDIQSA-N 1 1 533.068 4.405 1 0 KIAFMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5Cl)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000036221947 562051596 /nfs/dbraw/zinc/05/15/96/562051596.db2.gz DAGJGFYYIBDDIY-JSZJOHKHSA-N 1 1 519.041 4.319 1 0 KIAFMO CCCCN(CCCC)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(N)=O)[C@@H]1c1ccc(OC)cc1 ZINC000036248012 562052315 /nfs/dbraw/zinc/05/23/15/562052315.db2.gz QFVSJYNKQYXIFC-UIUQJESISA-N 1 1 509.647 4.095 1 0 KIAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](C)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331216 562056316 /nfs/dbraw/zinc/05/63/16/562056316.db2.gz XNQFVOYSSAQAQC-OZENJCBDSA-N 1 1 582.694 4.129 1 0 KIAFMO CC(=O)CCCCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338697 562057117 /nfs/dbraw/zinc/05/71/17/562057117.db2.gz ZLBAKXHFMPRKNL-YWEHKCAJSA-N 1 1 516.686 4.470 1 0 KIAFMO CC(=O)CCCCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338698 562057142 /nfs/dbraw/zinc/05/71/42/562057142.db2.gz ZLBAKXHFMPRKNL-CUBQBAPOSA-N 1 1 516.686 4.470 1 0 KIAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCS(=O)(=O)N3CCCC3)C2)C1 ZINC000036351484 562058398 /nfs/dbraw/zinc/05/83/98/562058398.db2.gz RAVNZMCDLGQATP-NSOVKSMOSA-N 1 1 635.753 4.070 1 0 KIAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](CCS(=O)(=O)N3CCCC3)C2)C1 ZINC000036351484 562058395 /nfs/dbraw/zinc/05/83/95/562058395.db2.gz RAVNZMCDLGQATP-NSOVKSMOSA-N 1 1 635.753 4.070 1 0 KIAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(S(C)(=O)=O)c4)C[C@H]23)CC1 ZINC000036351508 562058498 /nfs/dbraw/zinc/05/84/98/562058498.db2.gz FFKRPARBTBRYEY-KODFZCBSSA-N 1 1 563.139 4.474 1 0 KIAFMO CN1CC[NH+](CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(CO)c4)C[C@@H]3C2)CC1 ZINC000036351704 562058998 /nfs/dbraw/zinc/05/89/98/562058998.db2.gz RKGAKQIZJDEHFX-QFWOEDSFSA-N 1 1 509.645 4.288 1 0 KIAFMO CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H]([N@@H+](C)C5CCOCC5)C4)C3)s2)cc1 ZINC000036351785 562059140 /nfs/dbraw/zinc/05/91/40/562059140.db2.gz XJRFMPNQRSQOOQ-RPBOFIJWSA-N 1 1 524.731 4.429 1 0 KIAFMO COc1c(F)ccc2ncc(Cl)c(CC[NH+]3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c21 ZINC000036415486 562060641 /nfs/dbraw/zinc/06/06/41/562060641.db2.gz ILIBCDWJBLBPEZ-UHFFFAOYSA-N 1 1 516.042 4.272 1 0 KIAFMO O=C1CC[C@](CC[NH+]2CC(N3CC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000036455309 562060823 /nfs/dbraw/zinc/06/08/23/562060823.db2.gz UXOFSGJDRPUGPP-WNCULLNHSA-N 1 1 502.486 4.195 1 0 KIAFMO O=C1CC[C@](CCN2CC([N@H+]3CC[C@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000036455309 562060822 /nfs/dbraw/zinc/06/08/22/562060822.db2.gz UXOFSGJDRPUGPP-WNCULLNHSA-N 1 1 502.486 4.195 1 0 KIAFMO CC[C@H]1CN(c2ncc(C3=[NH+]CCN3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000036488114 562060923 /nfs/dbraw/zinc/06/09/23/562060923.db2.gz GCVYMVHKOARNEP-NRFANRHFSA-N 1 1 519.496 4.443 1 0 KIAFMO COc1ccc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCOCC4)cc(O[C@H]4CCOC4)c32)c1 ZINC000036758629 562061420 /nfs/dbraw/zinc/06/14/20/562061420.db2.gz DWMMULHPJUKYRJ-IBGZPJMESA-N 1 1 515.010 4.304 1 0 KIAFMO COc1ccc(CC[N@@H+](C)CCCN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1OC ZINC000038143414 562063918 /nfs/dbraw/zinc/06/39/18/562063918.db2.gz HQDHRIMGPIZFQT-AGTZKDDFSA-N 1 1 510.634 4.460 1 0 KIAFMO CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1)[C@H]1CCc2cc(C[NH+]3CCN(C(N)=O)CC3)ccc2C1 ZINC000038149876 562066302 /nfs/dbraw/zinc/06/63/02/562066302.db2.gz BOZHYJXZRTYKQA-NDEPHWFRSA-N 1 1 500.618 4.319 1 0 KIAFMO CC(=O)N1CC[NH+](Cc2ccc3c(c2)CC[C@H](N(C)C(=O)c2ccc(-c4ccc(F)cc4)cn2)C3)CC1 ZINC000038149885 562066277 /nfs/dbraw/zinc/06/62/77/562066277.db2.gz RCBBASWGELNHIE-NDEPHWFRSA-N 1 1 500.618 4.181 1 0 KIAFMO FC(F)(F)c1cc2[nH+]c(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c(N2CCOCC2)c1 ZINC000038157639 562069281 /nfs/dbraw/zinc/06/92/81/562069281.db2.gz RJVJFUYTSADTFL-UHFFFAOYSA-N 1 1 500.447 4.159 1 0 KIAFMO CCCC1=NC(=O)N[C@@H](c2cccc(C)c2)C1C(=O)OCc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000038913582 562072548 /nfs/dbraw/zinc/07/25/48/562072548.db2.gz ZKQFZGPVBKPMOV-MHZLTWQESA-N 1 1 518.658 4.362 1 0 KIAFMO CCCC1=NC(=O)N[C@H](c2cccc(C)c2)C1C(=O)OCc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000038913584 562072521 /nfs/dbraw/zinc/07/25/21/562072521.db2.gz ZKQFZGPVBKPMOV-HHHXNRCGSA-N 1 1 518.658 4.362 1 0 KIAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(C(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000040392639 562073657 /nfs/dbraw/zinc/07/36/57/562073657.db2.gz JIKXTEAIZXRYTL-SFHVURJKSA-N 1 1 525.049 4.205 1 0 KIAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(C(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000040392640 562073701 /nfs/dbraw/zinc/07/37/01/562073701.db2.gz JIKXTEAIZXRYTL-GOSISDBHSA-N 1 1 525.049 4.205 1 0 KIAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc([C@H](O)c3ccc(Cl)cc3)c2cc1OC ZINC000040392748 562073862 /nfs/dbraw/zinc/07/38/62/562073862.db2.gz RSOCATRKPYCPKS-XRHLQHRESA-N 1 1 527.065 4.055 1 0 KIAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc([C@@H](O)c3ccc(Cl)cc3)c2cc1OC ZINC000040392749 562073847 /nfs/dbraw/zinc/07/38/47/562073847.db2.gz RSOCATRKPYCPKS-MYUZEXMDSA-N 1 1 527.065 4.055 1 0 KIAFMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+](C)C2CN([C@@H](CNC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000040393588 562074108 /nfs/dbraw/zinc/07/41/08/562074108.db2.gz PMPRLKJIXQQROT-NDEPHWFRSA-N 1 1 502.703 4.182 1 0 KIAFMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+](C)C2CN([C@H](CNC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000040393589 562074097 /nfs/dbraw/zinc/07/40/97/562074097.db2.gz PMPRLKJIXQQROT-MUUNZHRXSA-N 1 1 502.703 4.182 1 0 KIAFMO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4([N@@H+](C)CCO)CC4)cc2)CC3)cc1 ZINC000040394962 562074352 /nfs/dbraw/zinc/07/43/52/562074352.db2.gz LRSKVRNPSWCPGL-UHFFFAOYSA-N 1 1 500.521 4.016 1 0 KIAFMO C[NH2+]C1CCN(c2cc3[nH]c(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)nc3c(C)c2)CC1 ZINC000040409809 562075228 /nfs/dbraw/zinc/07/52/28/562075228.db2.gz ILKQWXHVEJRPAL-HSZRJFAPSA-N 1 1 507.038 4.214 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(C(C)C)cc2)CC1 ZINC000040413507 562075492 /nfs/dbraw/zinc/07/54/92/562075492.db2.gz ZEYWMGADROPMQC-XMMPIXPASA-N 1 1 518.658 4.309 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(C(C)C)cc2)CC1 ZINC000040413510 562075452 /nfs/dbraw/zinc/07/54/52/562075452.db2.gz ZEYWMGADROPMQC-DEOSSOPVSA-N 1 1 518.658 4.309 1 0 KIAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)NC2Cc3ccccc3C2)cc1OC ZINC000040421158 562075717 /nfs/dbraw/zinc/07/57/17/562075717.db2.gz RLJVDLOZEWOSAC-AREMUKBSSA-N 1 1 516.638 4.147 1 0 KIAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)NC2Cc3ccccc3C2)cc1OC ZINC000040421158 562075715 /nfs/dbraw/zinc/07/57/15/562075715.db2.gz RLJVDLOZEWOSAC-AREMUKBSSA-N 1 1 516.638 4.147 1 0 KIAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)NC2Cc3ccccc3C2)cc1OC ZINC000040421161 562075688 /nfs/dbraw/zinc/07/56/88/562075688.db2.gz RLJVDLOZEWOSAC-SANMLTNESA-N 1 1 516.638 4.147 1 0 KIAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)NC2Cc3ccccc3C2)cc1OC ZINC000040421161 562075686 /nfs/dbraw/zinc/07/56/86/562075686.db2.gz RLJVDLOZEWOSAC-SANMLTNESA-N 1 1 516.638 4.147 1 0 KIAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCc3ccccc3C2)cc1OC ZINC000040422654 562075961 /nfs/dbraw/zinc/07/59/61/562075961.db2.gz COBNBIAOBJLGQO-AREMUKBSSA-N 1 1 516.638 4.448 1 0 KIAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCc3ccccc3C2)cc1OC ZINC000040422654 562075960 /nfs/dbraw/zinc/07/59/60/562075960.db2.gz COBNBIAOBJLGQO-AREMUKBSSA-N 1 1 516.638 4.448 1 0 KIAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCc3ccccc3C2)cc1OC ZINC000040422656 562076014 /nfs/dbraw/zinc/07/60/14/562076014.db2.gz COBNBIAOBJLGQO-SANMLTNESA-N 1 1 516.638 4.448 1 0 KIAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCc3ccccc3C2)cc1OC ZINC000040422656 562076011 /nfs/dbraw/zinc/07/60/11/562076011.db2.gz COBNBIAOBJLGQO-SANMLTNESA-N 1 1 516.638 4.448 1 0 KIAFMO CN1CCN(C(=O)c2cc(NC(=O)C[NH+]3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc43)c2)CC1 ZINC000040422766 562075953 /nfs/dbraw/zinc/07/59/53/562075953.db2.gz LJRNJVSEEYBUEX-UHFFFAOYSA-N 1 1 521.065 4.444 1 0 KIAFMO C[C@@H]1C[N@@H+](CC2(c3cccnc3)CCCC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000040423847 562076288 /nfs/dbraw/zinc/07/62/88/562076288.db2.gz NGLZRCICTABMBT-XXBNENTESA-N 1 1 511.610 4.058 1 0 KIAFMO C[C@@H]1C[N@H+](CC2(c3cccnc3)CCCC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000040423847 562076286 /nfs/dbraw/zinc/07/62/86/562076286.db2.gz NGLZRCICTABMBT-XXBNENTESA-N 1 1 511.610 4.058 1 0 KIAFMO C[C@H]1CCCN(CC(=O)Nc2nc3cc4nc(NC(=O)C[N@H+]5CCC[C@H](C)C5)sc4cc3s2)C1 ZINC000040487246 562077490 /nfs/dbraw/zinc/07/74/90/562077490.db2.gz GHCPSDMAOZHXOZ-HOTGVXAUSA-N 1 1 500.694 4.247 1 0 KIAFMO C[C@H]1CCCN(CC(=O)Nc2nc3cc4nc(NC(=O)C[N@@H+]5CCC[C@H](C)C5)sc4cc3s2)C1 ZINC000040487246 562077488 /nfs/dbraw/zinc/07/74/88/562077488.db2.gz GHCPSDMAOZHXOZ-HOTGVXAUSA-N 1 1 500.694 4.247 1 0 KIAFMO CN(C)CC[NH2+][C@H](CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(C)(=O)=O)c1ccccc1 ZINC000040566914 562077975 /nfs/dbraw/zinc/07/79/75/562077975.db2.gz ZDPXDMQHRLPMGG-HXUWFJFHSA-N 1 1 511.532 4.378 1 0 KIAFMO CC(=O)N1CCN(C(=O)c2cccc(C[NH2+]Cc3cnc(NC(=O)c4ccc(C(C)(C)C)cc4)s3)c2)CC1 ZINC000040762455 562079438 /nfs/dbraw/zinc/07/94/38/562079438.db2.gz WZYVNWKJPGKXRL-UHFFFAOYSA-N 1 1 533.698 4.287 1 0 KIAFMO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C[N@H+]5CC[C@@H](O)C5)CC4)cc2)CC3)cc1 ZINC000040845193 562080108 /nfs/dbraw/zinc/08/01/08/562080108.db2.gz FEBYFUOHNKIQSC-OAQYLSRUSA-N 1 1 526.559 4.201 1 0 KIAFMO COCC[NH+]1CCC(c2cc3nc(-c4c(NCCn5cc(Cl)cn5)cc[nH]c4=O)[nH]c3c(C)c2)CC1 ZINC000040862522 562080908 /nfs/dbraw/zinc/08/09/08/562080908.db2.gz SVKIVWVOFVHFNK-UHFFFAOYSA-N 1 1 510.042 4.014 1 0 KIAFMO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4cccc5[nH]c(=O)c(=O)[nH]c45)CC3)[nH]2)cc1 ZINC000040862846 562080895 /nfs/dbraw/zinc/08/08/95/562080895.db2.gz CLQLJTQBIWNDOX-UHFFFAOYSA-N 1 1 508.626 4.379 1 0 KIAFMO Cc1cc(NC(=O)CN2CC[NH+](C)CC2)c2cc(NC(=O)Nc3ccc(Br)cc3)ccc2n1 ZINC000040875338 562082011 /nfs/dbraw/zinc/08/20/11/562082011.db2.gz ACGSSWHBDXUVQB-UHFFFAOYSA-N 1 1 511.424 4.136 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@]2(C)CN(C)C(=O)O[C@@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877394 562082294 /nfs/dbraw/zinc/08/22/94/562082294.db2.gz ZAGLIRVCRPDDPG-JDRJUVJTSA-N 1 1 531.654 4.079 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@@]2(C)CN(C)C(=O)O[C@@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877398 562082266 /nfs/dbraw/zinc/08/22/66/562082266.db2.gz ZAGLIRVCRPDDPG-UTAZYMRLSA-N 1 1 531.654 4.079 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@]2(C)CN(C)C(=O)O[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877402 562082343 /nfs/dbraw/zinc/08/23/43/562082343.db2.gz ZAGLIRVCRPDDPG-HEKZAOSPSA-N 1 1 531.654 4.079 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@@]2(C)CN(C)C(=O)O[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000040877406 562082338 /nfs/dbraw/zinc/08/23/38/562082338.db2.gz ZAGLIRVCRPDDPG-ZVOVDXHFSA-N 1 1 531.654 4.079 1 0 KIAFMO Cc1cc(NC(=O)CN2CC[NH+](C)CC2)c2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc2n1 ZINC000040893179 562082927 /nfs/dbraw/zinc/08/29/27/562082927.db2.gz XHKSHMIRGXFZNB-UHFFFAOYSA-N 1 1 500.525 4.392 1 0 KIAFMO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C[NH+]5CCOCC5)CC4)cc2)CC3)cc1 ZINC000040895080 562082993 /nfs/dbraw/zinc/08/29/93/562082993.db2.gz FLSCNGWQHIQRMR-UHFFFAOYSA-N 1 1 526.559 4.466 1 0 KIAFMO O=C(/C=C/c1ccc(Cl)cc1)O[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000040899355 562083292 /nfs/dbraw/zinc/08/32/92/562083292.db2.gz SHGIEUUYOPTYHQ-DNIKMYEQSA-N 1 1 505.998 4.443 1 0 KIAFMO C=CC(=O)Nc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Cc1cccc(Br)c1 ZINC000040900509 562083548 /nfs/dbraw/zinc/08/35/48/562083548.db2.gz AHOUIMHHWJWBNV-UHFFFAOYSA-N 1 1 511.420 4.209 1 0 KIAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCOc1ccc(C(=O)N3CCCC3)cc1)C2 ZINC000040901456 562083697 /nfs/dbraw/zinc/08/36/97/562083697.db2.gz APUBMOASBJGFEG-OIZHIJAMSA-N 1 1 518.654 4.316 1 0 KIAFMO CCOc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C(C)=O)CC1 ZINC000040933156 562084581 /nfs/dbraw/zinc/08/45/81/562084581.db2.gz DBKVWUKBIXASQQ-UHFFFAOYSA-N 1 1 502.402 4.451 1 0 KIAFMO COCCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CC[NH+](C)CC1 ZINC000040935093 562084984 /nfs/dbraw/zinc/08/49/84/562084984.db2.gz UBBOYTZYPGUBTI-UHFFFAOYSA-N 1 1 504.418 4.161 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000040936971 562085237 /nfs/dbraw/zinc/08/52/37/562085237.db2.gz FHQNAXMIFPVUME-RUZDIDTESA-N 1 1 517.674 4.260 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000040936973 562085226 /nfs/dbraw/zinc/08/52/26/562085226.db2.gz FHQNAXMIFPVUME-VWLOTQADSA-N 1 1 517.674 4.260 1 0 KIAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1nc(C(=O)Nc2ccccc2)cs1 ZINC000040938736 562085449 /nfs/dbraw/zinc/08/54/49/562085449.db2.gz RIBFZRWGJCKRQH-UHFFFAOYSA-N 1 1 520.615 4.192 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000040940247 562085773 /nfs/dbraw/zinc/08/57/73/562085773.db2.gz BICATCSNUYXZFB-QHCPKHFHSA-N 1 1 520.699 4.278 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000040940249 562085726 /nfs/dbraw/zinc/08/57/26/562085726.db2.gz BICATCSNUYXZFB-HSZRJFAPSA-N 1 1 520.699 4.278 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000040943705 562085875 /nfs/dbraw/zinc/08/58/75/562085875.db2.gz KHFHYDTYDGINAZ-OAQYLSRUSA-N 1 1 527.090 4.198 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000040943707 562085889 /nfs/dbraw/zinc/08/58/89/562085889.db2.gz KHFHYDTYDGINAZ-NRFANRHFSA-N 1 1 527.090 4.198 1 0 KIAFMO COc1cc2c(cc1OC)[C@H](Cc1ccc3c(c1)OCO3)[N@@H+](CC(=O)N[C@@H]1CCc3ccccc31)CC2 ZINC000040950436 562086016 /nfs/dbraw/zinc/08/60/16/562086016.db2.gz PSMVBRYVVNJIGG-RPBOFIJWSA-N 1 1 500.595 4.378 1 0 KIAFMO COc1cc2c(cc1OC)[C@H](Cc1ccc3c(c1)OCO3)[N@H+](CC(=O)N[C@@H]1CCc3ccccc31)CC2 ZINC000040950436 562086014 /nfs/dbraw/zinc/08/60/14/562086014.db2.gz PSMVBRYVVNJIGG-RPBOFIJWSA-N 1 1 500.595 4.378 1 0 KIAFMO COc1cc2c(cc1OC)[C@@H](Cc1ccc3c(c1)OCO3)[N@@H+](CC(=O)N[C@@H]1CCc3ccccc31)CC2 ZINC000040950438 562086028 /nfs/dbraw/zinc/08/60/28/562086028.db2.gz PSMVBRYVVNJIGG-JWQCQUIFSA-N 1 1 500.595 4.378 1 0 KIAFMO COc1cc2c(cc1OC)[C@@H](Cc1ccc3c(c1)OCO3)[N@H+](CC(=O)N[C@@H]1CCc3ccccc31)CC2 ZINC000040950438 562086026 /nfs/dbraw/zinc/08/60/26/562086026.db2.gz PSMVBRYVVNJIGG-JWQCQUIFSA-N 1 1 500.595 4.378 1 0 KIAFMO C[C@@H]1C[N@@H+](CC2(c3ccncc3)CCCC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000040951120 562086033 /nfs/dbraw/zinc/08/60/33/562086033.db2.gz PTSDYTXQGBOHHD-XXBNENTESA-N 1 1 511.610 4.058 1 0 KIAFMO C[C@@H]1C[N@H+](CC2(c3ccncc3)CCCC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000040951120 562086031 /nfs/dbraw/zinc/08/60/31/562086031.db2.gz PTSDYTXQGBOHHD-XXBNENTESA-N 1 1 511.610 4.058 1 0 KIAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccccn2)cc1 ZINC000040957443 562086763 /nfs/dbraw/zinc/08/67/63/562086763.db2.gz FLRJZLPYUIALNM-NRFANRHFSA-N 1 1 524.470 4.245 1 0 KIAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2cccnc2)cc1 ZINC000040957446 562086674 /nfs/dbraw/zinc/08/66/74/562086674.db2.gz NYLLWWYSSORDHQ-NRFANRHFSA-N 1 1 524.470 4.245 1 0 KIAFMO C[NH+](C)CC(=O)c1c[nH]c2nccc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12 ZINC000040973190 562086924 /nfs/dbraw/zinc/08/69/24/562086924.db2.gz BKWQPMUHWJESCV-UHFFFAOYSA-N 1 1 507.497 4.269 1 0 KIAFMO CCCCn1c(=O)[nH]c2cc(-c3cc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)ccc3C)ccc2c1=O ZINC000042803538 562088191 /nfs/dbraw/zinc/08/81/91/562088191.db2.gz SNCYZGYEGOTFEM-UHFFFAOYSA-N 1 1 539.680 4.465 1 0 KIAFMO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnccn1 ZINC000042804058 562088648 /nfs/dbraw/zinc/08/86/48/562088648.db2.gz XFRXCSTXTDDQQT-UHFFFAOYSA-N 1 1 595.656 4.386 1 0 KIAFMO COc1cc2c(cc1OC)[C@H](Cc1ccccc1)[N@@H+](CCn1ncc3c4nc(-c5ccco5)nn4c(N)nc31)CC2 ZINC000042851532 581093572 /nfs/dbraw/zinc/09/35/72/581093572.db2.gz WQKKBJJIAPXMJO-QHCPKHFHSA-N 1 1 550.623 4.176 1 0 KIAFMO COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)[N@@H+](CCn1ncc3c4nc(-c5ccco5)nn4c(N)nc31)CC2 ZINC000042851534 581093537 /nfs/dbraw/zinc/09/35/37/581093537.db2.gz WQKKBJJIAPXMJO-HSZRJFAPSA-N 1 1 550.623 4.176 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2ccc(CO)cc2)c1C(OC)OC ZINC000043023322 562644963 /nfs/dbraw/zinc/64/49/63/562644963.db2.gz OGQUZSKDROMMFB-SHPZBJSMSA-N 1 1 594.672 4.003 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2ccc(CO)cc2)c1C(OC)OC ZINC000043023331 562645035 /nfs/dbraw/zinc/64/50/35/562645035.db2.gz OGQUZSKDROMMFB-AMYCCCOXSA-N 1 1 594.672 4.003 1 0 KIAFMO O=C(C=C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)N[C@@H]1CC[N@H+](Cc2ccc3cc(F)ccc3c2)C1 ZINC000043025609 562645062 /nfs/dbraw/zinc/64/50/62/562645062.db2.gz CEGOGJRTCSTEOH-AREMUKBSSA-N 1 1 515.585 4.261 1 0 KIAFMO COc1cccc(O)c1C(=O)N1CCC(=CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc4cc(F)ccc4c3)C2)CC1 ZINC000043062461 562645199 /nfs/dbraw/zinc/64/51/99/562645199.db2.gz POLVMCDWJGUXGJ-RUZDIDTESA-N 1 1 517.601 4.246 1 0 KIAFMO COc1ccc(O)c(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)c1 ZINC000043065535 562645370 /nfs/dbraw/zinc/64/53/70/562645370.db2.gz ZNFBEAQCHXSVEN-RUZDIDTESA-N 1 1 517.601 4.246 1 0 KIAFMO COc1ccc(C(=O)N2CCC(=CC(=O)N[C@@H]3CC[N@@H+](Cc4ccc5cc(F)ccc5c4)C3)CC2)c(O)c1 ZINC000043066982 562645433 /nfs/dbraw/zinc/64/54/33/562645433.db2.gz HYNMLEFKVAYGCJ-RUZDIDTESA-N 1 1 517.601 4.246 1 0 KIAFMO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(Cl)cc(Cl)c1 ZINC000043068177 562645442 /nfs/dbraw/zinc/64/54/42/562645442.db2.gz NLYUYINFBOVJOZ-IZZNHLLZSA-N 1 1 556.490 4.242 1 0 KIAFMO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c(Cl)cccc1Cl ZINC000043068972 562645453 /nfs/dbraw/zinc/64/54/53/562645453.db2.gz CNWZHFUTIODVDI-LOSJGSFVSA-N 1 1 556.490 4.242 1 0 KIAFMO COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CC[NH+]3CCN(c4ccccn4)CC3)c2c1 ZINC000043071067 562645576 /nfs/dbraw/zinc/64/55/76/562645576.db2.gz RXUYCWPAECQTMQ-UHFFFAOYSA-N 1 1 530.625 4.124 1 0 KIAFMO CCCC[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OC ZINC000043075405 562645687 /nfs/dbraw/zinc/64/56/87/562645687.db2.gz VMZJLCOUDXEVIH-HRBBJJPOSA-N 1 1 500.603 4.370 1 0 KIAFMO CCCC[C@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OC ZINC000043075409 562645701 /nfs/dbraw/zinc/64/57/01/562645701.db2.gz VMZJLCOUDXEVIH-RGPPVUSESA-N 1 1 500.603 4.370 1 0 KIAFMO C[N@H+]1CCC[C@H](COc2ccc(CCNC(=O)c3ccc(Br)o3)cc2Br)C1 ZINC000043079496 562645776 /nfs/dbraw/zinc/64/57/76/562645776.db2.gz GALIMZYQAGRPHT-HNNXBMFYSA-N 1 1 500.231 4.498 1 0 KIAFMO C[N@H+]1CCC[C@@H](COc2ccc(CCNC(=O)c3ccc(Br)o3)cc2Br)C1 ZINC000043079500 562645825 /nfs/dbraw/zinc/64/58/25/562645825.db2.gz GALIMZYQAGRPHT-OAHLLOKOSA-N 1 1 500.231 4.498 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2ccccc2)c1OC ZINC000043100698 562645900 /nfs/dbraw/zinc/64/59/00/562645900.db2.gz NFQBNKYRVDDBSW-DBQZHCBRSA-N 1 1 520.593 4.228 1 0 in-vitro KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2ccccc2)c1OC ZINC000043100703 562645939 /nfs/dbraw/zinc/64/59/39/562645939.db2.gz NFQBNKYRVDDBSW-QSRYBZNWSA-N 1 1 520.593 4.228 1 0 in-vitro KIAFMO COc1cc2c(cc1OCCCN1CC[NH+](CCCN3C(=O)c4cccc5cccc(c54)C3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000043103410 562645971 /nfs/dbraw/zinc/64/59/71/562645971.db2.gz PPGCPZIPOKXIFZ-VWLOTQADSA-N 1 1 609.727 4.242 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2C2CCCC2)c1OC ZINC000043120148 562646067 /nfs/dbraw/zinc/64/60/67/562646067.db2.gz WKCUTOHVUOVBOV-TYBKAHOSSA-N 1 1 512.614 4.370 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2C2CCCC2)c1OC ZINC000043120149 562646035 /nfs/dbraw/zinc/64/60/35/562646035.db2.gz WKCUTOHVUOVBOV-GIPLCNRYSA-N 1 1 512.614 4.370 1 0 KIAFMO O=C(C=C1CCN(C(=O)c2ccc(F)cc2O)CC1)N[C@@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3c2)C1 ZINC000043120857 562646091 /nfs/dbraw/zinc/64/60/91/562646091.db2.gz CNRGFQVKYSOJGD-RUZDIDTESA-N 1 1 505.565 4.377 1 0 KIAFMO O=C(C=C1CCN(C(=O)c2ccc(F)cc2O)CC1)N[C@@H]1CC[N@H+](Cc2ccc3cc(F)ccc3c2)C1 ZINC000043120857 562646090 /nfs/dbraw/zinc/64/60/90/562646090.db2.gz CNRGFQVKYSOJGD-RUZDIDTESA-N 1 1 505.565 4.377 1 0 KIAFMO O=C(Cc1cccc(NC(=O)OCCC[NH+]2CCOCC2)c1)N1CCC(c2cc(Cl)ccc2Cl)=N1 ZINC000043152508 562646411 /nfs/dbraw/zinc/64/64/11/562646411.db2.gz UQFDRYMBMUKMBN-UHFFFAOYSA-N 1 1 519.429 4.443 1 0 KIAFMO CN1CC[NH+](CCOc2ccc3c(c2)Nc2c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn2CC3)CC1 ZINC000043152603 562646456 /nfs/dbraw/zinc/64/64/56/562646456.db2.gz QHTXVJNMARVDIB-UHFFFAOYSA-N 1 1 538.652 4.367 1 0 KIAFMO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@@H+](CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000043170094 562646527 /nfs/dbraw/zinc/64/65/27/562646527.db2.gz GLQLDUWYXJEMIN-DHUJRADRSA-N 1 1 634.716 4.204 1 0 KIAFMO Nc1c(C(=O)c2ccc(F)cc2F)ccc(=O)n1-c1c(F)cc(OCCC[C@H]([NH3+])C(=O)OC2CCCC2)cc1F ZINC000043177341 562646654 /nfs/dbraw/zinc/64/66/54/562646654.db2.gz GWCMRHRHTWMOLO-QHCPKHFHSA-N 1 1 561.532 4.179 1 0 KIAFMO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000043197874 562646800 /nfs/dbraw/zinc/64/68/00/562646800.db2.gz CEZGZNAIXRROPI-MHZLTWQESA-N 1 1 527.691 4.158 1 0 KIAFMO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000043197875 562646815 /nfs/dbraw/zinc/64/68/15/562646815.db2.gz CEZGZNAIXRROPI-HHHXNRCGSA-N 1 1 527.691 4.158 1 0 KIAFMO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CCN(C(C)C)C3=O)C2)CC1 ZINC000043197878 562646807 /nfs/dbraw/zinc/64/68/07/562646807.db2.gz LIZCFBCVBWOYFX-NDEPHWFRSA-N 1 1 540.734 4.074 1 0 KIAFMO O=C(/C=C/C[N@H+]1CCCOCC1)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1 ZINC000043203717 562646940 /nfs/dbraw/zinc/64/69/40/562646940.db2.gz RWLIEDPJUCGAIH-HNQUOIGGSA-N 1 1 502.015 4.391 1 0 KIAFMO Cn1nnnc1SCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccccc4[nH+]3)[C@H]2SC1 ZINC000043322552 562647687 /nfs/dbraw/zinc/64/76/87/562647687.db2.gz LVSFSGVCCJHNTB-YIXXDRMTSA-N 1 1 610.725 4.161 1 0 KIAFMO Cn1nnnc1SCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccccc4[nH+]3)[C@@H]2SC1 ZINC000043322555 562647699 /nfs/dbraw/zinc/64/76/99/562647699.db2.gz LVSFSGVCCJHNTB-KCWPFWIISA-N 1 1 610.725 4.161 1 0 KIAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523748 562648844 /nfs/dbraw/zinc/64/88/44/562648844.db2.gz VFRYARUWEZEMMO-JGCGQSQUSA-N 1 1 587.675 4.269 1 0 KIAFMO C[N@@H+](Cc1ccc(-n2cnn(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523751 562648851 /nfs/dbraw/zinc/64/88/51/562648851.db2.gz VFRYARUWEZEMMO-YTTGMZPUSA-N 1 1 587.675 4.269 1 0 KIAFMO C[N@@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523959 562648894 /nfs/dbraw/zinc/64/88/94/562648894.db2.gz LSWLKAFCGMFKJA-MGBGTMOVSA-N 1 1 615.685 4.104 1 0 KIAFMO C[N@@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(C(C)(C)C)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523962 562648884 /nfs/dbraw/zinc/64/88/84/562648884.db2.gz LSWLKAFCGMFKJA-XIFFEERXSA-N 1 1 615.685 4.104 1 0 KIAFMO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH+]4CCN(C)CC4)c3Cl)c2n1 ZINC000043524263 562648995 /nfs/dbraw/zinc/64/89/95/562648995.db2.gz MSZISYOKSODETJ-UHFFFAOYSA-N 1 1 622.619 4.240 1 0 KIAFMO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)NCCC[NH+]4CCOCC4)c3Cl)c2n1 ZINC000043524299 562648963 /nfs/dbraw/zinc/64/89/63/562648963.db2.gz JDDAOYDQCGHILG-UHFFFAOYSA-N 1 1 609.576 4.324 1 0 KIAFMO C[C@H]1C[N@H+](C(C)(CO)CO)CCN1C(=O)OC1([C@@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000043589946 562650138 /nfs/dbraw/zinc/65/01/38/562650138.db2.gz RMMNMQOLNRMZRW-KWTBFXGESA-N 1 1 624.175 4.182 1 0 KIAFMO C[C@H]1C[N@@H+](C(C)(CO)CO)CCN1C(=O)OC1([C@@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000043589946 562650137 /nfs/dbraw/zinc/65/01/37/562650137.db2.gz RMMNMQOLNRMZRW-KWTBFXGESA-N 1 1 624.175 4.182 1 0 KIAFMO C[C@H]1C[N@H+](C(C)(CO)CO)CCN1C(=O)OC1([C@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000043589948 562650142 /nfs/dbraw/zinc/65/01/42/562650142.db2.gz RMMNMQOLNRMZRW-GCCWUPBUSA-N 1 1 624.175 4.182 1 0 KIAFMO C[C@H]1C[N@@H+](C(C)(CO)CO)CCN1C(=O)OC1([C@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000043589948 562650141 /nfs/dbraw/zinc/65/01/41/562650141.db2.gz RMMNMQOLNRMZRW-GCCWUPBUSA-N 1 1 624.175 4.182 1 0 KIAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(O)cc4[nH+]3)[C@H]2SC1 ZINC000043640977 562650412 /nfs/dbraw/zinc/65/04/12/562650412.db2.gz DXVDQIBBHQOQGW-UFHPHHKVSA-N 1 1 570.627 4.114 1 0 KIAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccc(O)cc4[nH+]3)[C@@H]2SC1 ZINC000043640978 562650448 /nfs/dbraw/zinc/65/04/48/562650448.db2.gz DXVDQIBBHQOQGW-YWEHKCAJSA-N 1 1 570.627 4.114 1 0 KIAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccccc4[nH+]3)[C@H]2SC1 ZINC000043641097 562650527 /nfs/dbraw/zinc/65/05/27/562650527.db2.gz LOWQXRJQJDAWMP-UFHPHHKVSA-N 1 1 554.628 4.409 1 0 KIAFMO CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3[nH]c4ccccc4[nH+]3)[C@@H]2SC1 ZINC000043641099 562650529 /nfs/dbraw/zinc/65/05/29/562650529.db2.gz LOWQXRJQJDAWMP-YWEHKCAJSA-N 1 1 554.628 4.409 1 0 KIAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccc(I)cc2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044031889 562651648 /nfs/dbraw/zinc/65/16/48/562651648.db2.gz LCWQSHGROBERNL-AREMUKBSSA-N 1 1 603.411 4.433 1 0 KIAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccc(I)cc2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044031891 562651664 /nfs/dbraw/zinc/65/16/64/562651664.db2.gz LCWQSHGROBERNL-SANMLTNESA-N 1 1 603.411 4.433 1 0 KIAFMO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[NH2+]C1 ZINC000044069193 562652033 /nfs/dbraw/zinc/65/20/33/562652033.db2.gz DCHZZTDQSHIQPD-JSOSNVBQSA-N 1 1 564.730 4.173 1 0 KIAFMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)OC1([C@@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044086694 562652221 /nfs/dbraw/zinc/65/22/21/562652221.db2.gz MFDZSGSRFDWNEW-LZYPDUGYSA-N 1 1 580.122 4.431 1 0 KIAFMO C[C@H]1C[N@H+](CCO)CCN1C(=O)OC1([C@@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044086694 562652220 /nfs/dbraw/zinc/65/22/20/562652220.db2.gz MFDZSGSRFDWNEW-LZYPDUGYSA-N 1 1 580.122 4.431 1 0 KIAFMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)OC1([C@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044086697 562652235 /nfs/dbraw/zinc/65/22/35/562652235.db2.gz MFDZSGSRFDWNEW-GKBBYZSKSA-N 1 1 580.122 4.431 1 0 KIAFMO C[C@H]1C[N@H+](CCO)CCN1C(=O)OC1([C@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044086697 562652234 /nfs/dbraw/zinc/65/22/34/562652234.db2.gz MFDZSGSRFDWNEW-GKBBYZSKSA-N 1 1 580.122 4.431 1 0 KIAFMO Cc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000044351693 562654831 /nfs/dbraw/zinc/65/48/31/562654831.db2.gz ZJATUHGFXPEBQJ-HHHXNRCGSA-N 1 1 576.145 4.242 1 0 KIAFMO 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]2[N@H+]3C)cc(OC)c1OC ZINC000044351829 562654912 /nfs/dbraw/zinc/65/49/12/562654912.db2.gz QRMASVGVVOOIOZ-WDWIJTSISA-N 1 1 597.661 4.155 1 0 KIAFMO CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH+](C)C)CC1 ZINC000044352639 562655210 /nfs/dbraw/zinc/65/52/10/562655210.db2.gz ADIWESTUTGHTPP-RSXGOPAZSA-N 1 1 549.543 4.011 1 0 KIAFMO CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH+](C)C)CC1 ZINC000044352641 562655228 /nfs/dbraw/zinc/65/52/28/562655228.db2.gz ADIWESTUTGHTPP-AOYPEHQESA-N 1 1 549.543 4.011 1 0 KIAFMO CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000044361037 562655673 /nfs/dbraw/zinc/65/56/73/562655673.db2.gz CLKRLHFNFDDTQF-UHSQPCAPSA-N 1 1 574.678 4.034 1 0 KIAFMO CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000044361044 562655681 /nfs/dbraw/zinc/65/56/81/562655681.db2.gz CLKRLHFNFDDTQF-WNJJXGMVSA-N 1 1 574.678 4.034 1 0 KIAFMO C[NH+]1CCN(CCCn2nnc3c2c(Br)c(Br)c(Br)c3Br)CC1 ZINC000044361225 562655722 /nfs/dbraw/zinc/65/57/22/562655722.db2.gz GUFUTNSTANSZLU-UHFFFAOYSA-N 1 1 574.941 4.119 1 0 KIAFMO CCOP(=O)(CCCN1CC[NH+](CCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC ZINC000044386919 562655976 /nfs/dbraw/zinc/65/59/76/562655976.db2.gz PVBLRHUACWQHFD-QFIPXVFZSA-N 1 1 550.637 4.058 1 0 KIAFMO COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3ccsc3C(N)=O)n1)N(C(=O)C[NH+](C)C)CCC2(C)C ZINC000044386931 562655993 /nfs/dbraw/zinc/65/59/93/562655993.db2.gz YNSCKPCDFIDINW-UHFFFAOYSA-N 1 1 548.673 4.190 1 0 in-vitro KIAFMO CCOP(=O)(CCC[NH+]1CCN(CCCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC ZINC000044387002 562656011 /nfs/dbraw/zinc/65/60/11/562656011.db2.gz AJGITESNKFVRAC-QHCPKHFHSA-N 1 1 564.664 4.449 1 0 KIAFMO C[NH+]1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(I)cc2)CC1 ZINC000044387872 562656207 /nfs/dbraw/zinc/65/62/07/562656207.db2.gz VYLFPGWPSXCAAB-UHFFFAOYSA-N 1 1 556.235 4.343 1 0 KIAFMO Nc1[nH]cc(CCCNC(=O)c2cc(Br)c(Br)n2-c2ccc(Br)cc2)[nH+]1 ZINC000044388381 562656342 /nfs/dbraw/zinc/65/63/42/562656342.db2.gz CGRIZHNPROGCHS-UHFFFAOYSA-N 1 1 546.061 4.433 1 0 KIAFMO COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)C[NH+]1CCCCC1)CCC2 ZINC000044405528 562656686 /nfs/dbraw/zinc/65/66/86/562656686.db2.gz OTTBPQUZNFGLAM-UHFFFAOYSA-N 1 1 572.645 4.457 1 0 KIAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCOc1cccc([C@H](C)N3CCOCC3)c1)C2 ZINC000044417710 562657141 /nfs/dbraw/zinc/65/71/41/562657141.db2.gz RILODUKPHSUGEW-WZJSRLNKSA-N 1 1 534.697 4.473 1 0 KIAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCOc1cccc([C@@H](C)N3CCOCC3)c1)C2 ZINC000044417714 562657165 /nfs/dbraw/zinc/65/71/65/562657165.db2.gz RILODUKPHSUGEW-RDLSDULQSA-N 1 1 534.697 4.473 1 0 KIAFMO O=C(C[NH+]1CCCCC1)Nc1cc(Nc2ccnc3cc(Cl)ccc32)cc(C(=O)NCCN2CCOCC2)c1 ZINC000044417954 562657253 /nfs/dbraw/zinc/65/72/53/562657253.db2.gz AJQPACFJCOHFMZ-UHFFFAOYSA-N 1 1 551.091 4.118 1 0 KIAFMO Cc1cc(CN2CCCN(c3ccc4c(c3)CC[N@H+](Cc3ccc(-c5ncc[nH]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657983 /nfs/dbraw/zinc/65/79/83/562657983.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 1 1 509.702 4.432 1 0 KIAFMO Cc1cc(CN2CCCN(c3ccc4c(c3)CC[N@@H+](Cc3ccc(-c5ncc[nH]5)cc3)CC4)CC2)n(C)n1 ZINC000045167102 562657982 /nfs/dbraw/zinc/65/79/82/562657982.db2.gz IZGUGAASUZJWAU-UHFFFAOYSA-N 1 1 509.702 4.432 1 0 KIAFMO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)c(C)c1 ZINC000045188517 562658357 /nfs/dbraw/zinc/65/83/57/562658357.db2.gz DVFVGHMYYUQURE-UHFFFAOYSA-N 1 1 511.663 4.474 1 0 KIAFMO COc1ccc(C[NH2+]Cc2ccccc2)cc1-c1ccc(OC)c(S(=O)(=O)NCCN2CCCC2)c1 ZINC000045195764 562658951 /nfs/dbraw/zinc/65/89/51/562658951.db2.gz VAKPQDNNUSKCMF-UHFFFAOYSA-N 1 1 509.672 4.035 1 0 KIAFMO COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1-c1ccc(OC)c(S(=O)(=O)NCCN2CCCC2)c1 ZINC000045228327 562659526 /nfs/dbraw/zinc/65/95/26/562659526.db2.gz HNJGJCNONVWPGF-UHFFFAOYSA-N 1 1 535.710 4.002 1 0 KIAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(O)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000045229425 562659556 /nfs/dbraw/zinc/65/95/56/562659556.db2.gz ZMHQEYGCQPAEOR-UHFFFAOYSA-N 1 1 513.598 4.248 1 0 KIAFMO Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nc21 ZINC000045252982 562659806 /nfs/dbraw/zinc/65/98/06/562659806.db2.gz KNXQEJUJQOZAKP-UHFFFAOYSA-N 1 1 523.424 4.434 1 0 KIAFMO C[N@@H+](Cc1ccc2c(ccn2C(=O)c2ccccc2)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045255945 562659869 /nfs/dbraw/zinc/65/98/69/562659869.db2.gz GJMQQYMSCDEBTA-MUUNZHRXSA-N 1 1 501.537 4.219 1 0 KIAFMO C[N@@H+](Cc1ccc2c(ccn2C(=O)c2ccccc2)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000045255949 562659872 /nfs/dbraw/zinc/65/98/72/562659872.db2.gz GJMQQYMSCDEBTA-NDEPHWFRSA-N 1 1 501.537 4.219 1 0 KIAFMO O=C1N(C[C@H](O)C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)CCC1(c1ccccc1)c1ccccc1 ZINC000045284144 562660085 /nfs/dbraw/zinc/66/00/85/562660085.db2.gz YCRJDYUNEPILMF-RUZDIDTESA-N 1 1 523.599 4.407 1 0 KIAFMO O=C1N(C[C@@H](O)C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)CCC1(c1ccccc1)c1ccccc1 ZINC000045284146 562660112 /nfs/dbraw/zinc/66/01/12/562660112.db2.gz YCRJDYUNEPILMF-VWLOTQADSA-N 1 1 523.599 4.407 1 0 KIAFMO COc1cc(F)c2ncc(Cl)c(CC[NH+]3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1 ZINC000045302390 562660694 /nfs/dbraw/zinc/66/06/94/562660694.db2.gz JNJUJKVXGMCTRH-UHFFFAOYSA-N 1 1 516.042 4.272 1 0 KIAFMO COc1ccc(C[NH2+]Cc2ccsc2)cc1-c1ccc(OC)c(S(=O)(=O)NCCN2CCCC2)c1 ZINC000045303029 562660810 /nfs/dbraw/zinc/66/08/10/562660810.db2.gz WEBPETUBHDCYEY-UHFFFAOYSA-N 1 1 515.701 4.096 1 0 KIAFMO COc1ccc(C[NH2+]CCc2cccs2)cc1-c1ccc(OC)c(S(=O)(=O)NCCN2CCCC2)c1 ZINC000045303203 562660777 /nfs/dbraw/zinc/66/07/77/562660777.db2.gz VNHMHBFPFIFWED-UHFFFAOYSA-N 1 1 529.728 4.139 1 0 KIAFMO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1-c1ccc(OC)c(S(=O)(=O)NCCN2CCCC2)c1 ZINC000045314612 562660837 /nfs/dbraw/zinc/66/08/37/562660837.db2.gz SCZYJQFNVIYVKL-UHFFFAOYSA-N 1 1 527.662 4.174 1 0 KIAFMO COc1ccc(CCNc2nc(NCCC[N@H+]3CCCC[C@H]3C)ncc2C(=O)NCC(C)C)cc1OC ZINC000045324309 562661200 /nfs/dbraw/zinc/66/12/00/562661200.db2.gz HRDOUHHUUHIPMK-OAQYLSRUSA-N 1 1 512.699 4.211 1 0 KIAFMO COc1ccc(CCNc2nc(NCCC[N@H+]3CCCC[C@@H]3C)ncc2C(=O)NCC(C)C)cc1OC ZINC000045324312 562661210 /nfs/dbraw/zinc/66/12/10/562661210.db2.gz HRDOUHHUUHIPMK-NRFANRHFSA-N 1 1 512.699 4.211 1 0 KIAFMO Cc1cc(OCCC[N@H+]2CC[C@H](NS(=O)(=O)c3cccc(Br)c3)C2)c2ccccc2n1 ZINC000045334898 562661339 /nfs/dbraw/zinc/66/13/39/562661339.db2.gz HGDYZVWVPQXSHR-IBGZPJMESA-N 1 1 504.450 4.127 1 0 KIAFMO Cc1cc(OCCC[N@H+]2CC[C@@H](NS(=O)(=O)c3cccc(Br)c3)C2)c2ccccc2n1 ZINC000045334900 562661312 /nfs/dbraw/zinc/66/13/12/562661312.db2.gz HGDYZVWVPQXSHR-LJQANCHMSA-N 1 1 504.450 4.127 1 0 KIAFMO CC[NH+]1CCN(C(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2Cn2cncn2)CC1 ZINC000045354923 562661799 /nfs/dbraw/zinc/66/17/99/562661799.db2.gz QVWLYHLOGDMERL-UHFFFAOYSA-N 1 1 510.429 4.264 1 0 KIAFMO COc1ccc(S(=O)(=O)N(CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC2CC2)cc1 ZINC000045367660 562662148 /nfs/dbraw/zinc/66/21/48/562662148.db2.gz WUCMKNBEIOKYLN-UHFFFAOYSA-N 1 1 511.610 4.327 1 0 KIAFMO COc1ccc(S(=O)(=O)N(CCC[NH+]2CCN(c3ccccc3OC)CC2)CC2CCCCC2)cc1 ZINC000045369014 562662179 /nfs/dbraw/zinc/66/21/79/562662179.db2.gz JKNQEPCKBWGZDH-UHFFFAOYSA-N 1 1 515.720 4.487 1 0 KIAFMO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@H+]4CC3CC3)[C@H]2O6)cc1 ZINC000045392891 562662556 /nfs/dbraw/zinc/66/25/56/562662556.db2.gz COQVMBCVISUHKI-MFVFZHPYSA-N 1 1 502.655 4.052 1 0 KIAFMO NC(=O)COc1cccc2c1CC[N@@H+](CCN1CCC(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC1)C2 ZINC000048307294 562662890 /nfs/dbraw/zinc/66/28/90/562662890.db2.gz CEGYYNUQUVKZSO-UHFFFAOYSA-N 1 1 547.099 4.124 1 0 KIAFMO NC(=O)COc1cccc2c1CC[N@H+](CCN1CCC(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)CC1)C2 ZINC000048307294 562662889 /nfs/dbraw/zinc/66/28/89/562662889.db2.gz CEGYYNUQUVKZSO-UHFFFAOYSA-N 1 1 547.099 4.124 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000049046398 562663670 /nfs/dbraw/zinc/66/36/70/562663670.db2.gz JYRKGTLBBJHVGA-HMNRDNJPSA-N 1 1 504.675 4.076 1 0 KIAFMO Cn1cccc1C(=O)N1CC[NH+](CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000049073485 562664312 /nfs/dbraw/zinc/66/43/12/562664312.db2.gz DXEPRYMIMRYMRQ-UHFFFAOYSA-N 1 1 511.605 4.287 1 0 KIAFMO CCOc1cc(C[NH+]2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)cc(OCC)c1F ZINC000049089446 562664420 /nfs/dbraw/zinc/66/44/20/562664420.db2.gz IEMOENSJCRZHOW-UHFFFAOYSA-N 1 1 527.018 4.142 1 0 KIAFMO Cc1cc(CN2CCN(c3c4nc(-c5ccc(C[NH+](C)C)cc5)[nH]c4ncc3Br)CC2)no1 ZINC000049112636 562664616 /nfs/dbraw/zinc/66/46/16/562664616.db2.gz MAAOTDJLPPSMRD-UHFFFAOYSA-N 1 1 510.440 4.068 1 0 KIAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)CC3CCCC3)c3cccc(F)c3)C[C@@H]2C1 ZINC000049113148 562664656 /nfs/dbraw/zinc/66/46/56/562664656.db2.gz ZCKAAYPRCYMCMR-GSLIJJQTSA-N 1 1 507.654 4.064 1 0 KIAFMO O=C(c1cccnc1)N1CC[NH+](CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000049113593 562664630 /nfs/dbraw/zinc/66/46/30/562664630.db2.gz YQIPFEIQIMLPOP-UHFFFAOYSA-N 1 1 509.589 4.344 1 0 KIAFMO CC(C)(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049605336 562665758 /nfs/dbraw/zinc/66/57/58/562665758.db2.gz GWQGYAFICVAUOW-UHSQPCAPSA-N 1 1 588.705 4.424 1 0 KIAFMO CC(C)(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049605337 562665714 /nfs/dbraw/zinc/66/57/14/562665714.db2.gz GWQGYAFICVAUOW-WNJJXGMVSA-N 1 1 588.705 4.424 1 0 KIAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000049605610 562666051 /nfs/dbraw/zinc/66/60/51/562666051.db2.gz VFMBWJNCHGLVBQ-UHFFFAOYSA-N 1 1 568.678 4.244 1 0 KIAFMO COCC[NH+]1CCC(C(=O)NCC(C)(C)c2nc(-c3ccc(Br)c(O)c3)c(-c3ccncc3)[nH]2)CC1 ZINC000049605665 562666140 /nfs/dbraw/zinc/66/61/40/562666140.db2.gz KHFZFEWKZCIZLE-UHFFFAOYSA-N 1 1 556.505 4.359 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C1CCCC1 ZINC000049605951 562666443 /nfs/dbraw/zinc/66/64/43/562666443.db2.gz SCVGALCLJNKWJI-MXKPVQFSSA-N 1 1 631.880 4.226 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C1CCCC1 ZINC000049605951 562666442 /nfs/dbraw/zinc/66/64/42/562666442.db2.gz SCVGALCLJNKWJI-MXKPVQFSSA-N 1 1 631.880 4.226 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C1CCCC1 ZINC000049605972 562666449 /nfs/dbraw/zinc/66/64/49/562666449.db2.gz SCVGALCLJNKWJI-VKKKTGERSA-N 1 1 631.880 4.226 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C1CCCC1 ZINC000049605972 562666448 /nfs/dbraw/zinc/66/64/48/562666448.db2.gz SCVGALCLJNKWJI-VKKKTGERSA-N 1 1 631.880 4.226 1 0 KIAFMO C[C@@H](Cc1ccc2ncnn2c1)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049615315 562666633 /nfs/dbraw/zinc/66/66/33/562666633.db2.gz KUHJMKMRUIRJSL-BJTUFNSYSA-N 1 1 536.671 4.273 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nccnc4n3)CC2)C1 ZINC000049615644 562666671 /nfs/dbraw/zinc/66/66/71/562666671.db2.gz AIEPZCFSGUKURU-HMNRDNJPSA-N 1 1 556.711 4.019 1 0 KIAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)cc1 ZINC000049626136 562666997 /nfs/dbraw/zinc/66/69/97/562666997.db2.gz WXRKJXJURAERMG-BHYZAODMSA-N 1 1 615.775 4.317 1 0 KIAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCN(Cc3ccc(OCCC[NH+](C)C)cc3)C2)cc1 ZINC000049626138 562667023 /nfs/dbraw/zinc/66/70/23/562667023.db2.gz WXRKJXJURAERMG-CDZUIXILSA-N 1 1 615.775 4.317 1 0 KIAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4cc(Br)c(Br)s4)CC3)nc(N)c2cc1OC ZINC000049626196 562667046 /nfs/dbraw/zinc/66/70/46/562667046.db2.gz CKTDLENGCOBLHG-UHFFFAOYSA-N 1 1 585.322 4.462 1 0 KIAFMO NC(=[NH2+])c1ccc(NC(=O)c2cc(Sc3ccc(O)c(C(=O)Nc4ccc(C(N)=[NH2+])cc4)c3)ccc2[O-])cc1 ZINC000049626477 562667201 /nfs/dbraw/zinc/66/72/01/562667201.db2.gz SRFLSDMMBPMLSJ-UHFFFAOYSA-N 1 1 540.605 4.322 1 0 KIAFMO CC(=O)NCCNc1nc(N2CCc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3C2)cc[nH+]1 ZINC000049626785 562667338 /nfs/dbraw/zinc/66/73/38/562667338.db2.gz WUPFHVDLPHQYIR-UHFFFAOYSA-N 1 1 563.037 4.492 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OC)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000049627495 562667502 /nfs/dbraw/zinc/66/75/02/562667502.db2.gz NFVMZTGQYWKGPM-JRJNJTSPSA-N 1 1 722.883 4.357 1 0 KIAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCCCN1C(=O)c3ccccc3S1(=O)=O)C2 ZINC000049679839 562669005 /nfs/dbraw/zinc/66/90/05/562669005.db2.gz SUFMWEXOZBWNLL-BDZGNEFQSA-N 1 1 566.720 4.406 1 0 KIAFMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(C23CC4CC(CC(C4)C2)C3)[nH]1)C(=O)NCc1ccccc1 ZINC000049694662 562669572 /nfs/dbraw/zinc/66/95/72/562669572.db2.gz CKWRJIRFPNVYKK-AQFXCFNKSA-N 1 1 564.734 4.273 1 0 KIAFMO CCC(=O)N(c1ccc([C@@H](C)NC(=O)[C@H]2O[C@@H](c3nc4c(ncnc4NC4CCCC4)[nH]3)[C@H](O)[C@@H]2O)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000049695456 562670632 /nfs/dbraw/zinc/67/06/32/562670632.db2.gz BNEDSCDAJNXWFC-WZPUCJJUSA-N 1 1 710.880 4.197 1 0 KIAFMO CCC(=O)N(c1ccc([C@H](C)NC(=O)[C@H]2O[C@@H](c3nc4c(ncnc4NC4CCCC4)[nH]3)[C@H](O)[C@@H]2O)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000049695457 562670579 /nfs/dbraw/zinc/67/05/79/562670579.db2.gz BNEDSCDAJNXWFC-ZPRDISHZSA-N 1 1 710.880 4.197 1 0 KIAFMO CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(-n3cc[nH+]c3C)cc2OC)ncc1Br ZINC000049708832 562671057 /nfs/dbraw/zinc/67/10/57/562671057.db2.gz OWTAOUVQYMPSRH-UHFFFAOYSA-N 1 1 544.435 4.137 1 0 KIAFMO CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)N3CC[NH+](C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049709345 562671277 /nfs/dbraw/zinc/67/12/77/562671277.db2.gz STHDAVOVOCUJEN-LJAQVGFWSA-N 1 1 707.873 4.219 1 0 KIAFMO CN1CCN(CCNC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000049709506 562671346 /nfs/dbraw/zinc/67/13/46/562671346.db2.gz BXWXGVCDVQYCNW-HVHHDALESA-N 1 1 590.571 4.246 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720232 562672107 /nfs/dbraw/zinc/67/21/07/562672107.db2.gz JFFVTCOLDQQGTQ-ACCWSOHVSA-N 1 1 663.863 4.020 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720232 562672106 /nfs/dbraw/zinc/67/21/06/562672106.db2.gz JFFVTCOLDQQGTQ-ACCWSOHVSA-N 1 1 663.863 4.020 1 0 KIAFMO COC(=O)c1ccc(-c2ccc(C(=O)NCC3CCN(c4nc(N)c5cc(OC)c(OC)cc5[nH+]4)CC3)cc2)cc1 ZINC000049722521 562672145 /nfs/dbraw/zinc/67/21/45/562672145.db2.gz LOSVHMVZESORQX-UHFFFAOYSA-N 1 1 555.635 4.329 1 0 KIAFMO CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(C[NH+]4CCN(C)CC4)cc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000049722606 562672283 /nfs/dbraw/zinc/67/22/83/562672283.db2.gz FTRSKAKWKUDZKU-MKPDMIMOSA-N 1 1 581.725 4.272 1 0 KIAFMO CS(=O)(=O)CCNc1cc(N2CCc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3C2)[nH+]cn1 ZINC000049722682 562672351 /nfs/dbraw/zinc/67/23/51/562672351.db2.gz KADXTQLOIZLCIP-UHFFFAOYSA-N 1 1 584.077 4.401 1 0 KIAFMO C[N@H+]1CCCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC1 ZINC000049746112 562674233 /nfs/dbraw/zinc/67/42/33/562674233.db2.gz RXSLSHVXGFJJLU-UHFFFAOYSA-N 1 1 574.060 4.319 1 0 KIAFMO C[C@H]1CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC[N@H+]1C ZINC000049746220 562674356 /nfs/dbraw/zinc/67/43/56/562674356.db2.gz MDIQKDWHUZTIRP-KRWDZBQOSA-N 1 1 574.060 4.317 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1cc2ccccc2s1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000049756241 562674914 /nfs/dbraw/zinc/67/49/14/562674914.db2.gz LVZVYZDBEMTWLF-GCLVVOTRSA-N 1 1 726.944 4.307 1 0 KIAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 ZINC000049756292 562674930 /nfs/dbraw/zinc/67/49/30/562674930.db2.gz AHIWFLCAIXYEJK-PLQXJYEYSA-N 1 1 551.682 4.093 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](CC2(c3ccccc3)CC2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049756611 562675109 /nfs/dbraw/zinc/67/51/09/562675109.db2.gz IUEDHFWXEUQWPL-BZXFFSAKSA-N 1 1 652.880 4.004 1 0 KIAFMO Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 ZINC000049756638 562675144 /nfs/dbraw/zinc/67/51/44/562675144.db2.gz BVLZCMHSCQAJGH-SZPZYZBQSA-N 1 1 591.625 4.332 1 0 KIAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)C[C@@H]2C1 ZINC000049761877 562676216 /nfs/dbraw/zinc/67/62/16/562676216.db2.gz MJLBOHSIWRKXDI-PSWAGMNNSA-N 1 1 535.708 4.233 1 0 KIAFMO O=C1C(=O)N(CN2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)c2cc(Br)ccc21 ZINC000049761984 562676242 /nfs/dbraw/zinc/67/62/42/562676242.db2.gz XCDPUIDPEDZWIY-UHFFFAOYSA-N 1 1 519.321 4.325 1 0 KIAFMO Cc1c(O)cccc1C(=O)N[C@@H](c1cccs1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049762064 562676307 /nfs/dbraw/zinc/67/63/07/562676307.db2.gz MDNTWQYQXCMZIS-MVSXCLQGSA-N 1 1 527.731 4.390 1 0 KIAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@@H]2C1 ZINC000049762280 562676464 /nfs/dbraw/zinc/67/64/64/562676464.db2.gz OFCIMWAFWSWKFV-ARNLJNQMSA-N 1 1 543.634 4.309 1 0 KIAFMO C[C@@H]1CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)CC[N@H+]1C ZINC000049763219 562676913 /nfs/dbraw/zinc/67/69/13/562676913.db2.gz MDIQKDWHUZTIRP-QGZVFWFLSA-N 1 1 574.060 4.317 1 0 KIAFMO Cc1cc(C(=O)N2CCCNc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCC[N@H+](C)CC1 ZINC000049766773 562677230 /nfs/dbraw/zinc/67/72/30/562677230.db2.gz XVTJVQICSDHKDD-MHZLTWQESA-N 1 1 548.757 4.096 1 0 KIAFMO Cc1cc(C(=O)N2CCC(N3c4ccccc4COC3=O)CC2)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCC[N@H+](C)CC1 ZINC000049766840 562677293 /nfs/dbraw/zinc/67/72/93/562677293.db2.gz DSXLXIPPBYSPSK-PMERELPUSA-N 1 1 632.831 4.395 1 0 KIAFMO O=C1C(=O)N(CN2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)c2cccc(Br)c21 ZINC000049767511 562677598 /nfs/dbraw/zinc/67/75/98/562677598.db2.gz YQCIFFWGDFZQOU-UHFFFAOYSA-N 1 1 519.321 4.325 1 0 KIAFMO CC[NH+]1CCN(C(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Br)cc3)c2Cn2cncn2)CC1 ZINC000049768010 562677801 /nfs/dbraw/zinc/67/78/01/562677801.db2.gz HIBVTHWSYLZIGF-UHFFFAOYSA-N 1 1 554.880 4.373 1 0 KIAFMO Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccs1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049771313 562678109 /nfs/dbraw/zinc/67/81/09/562678109.db2.gz OTWIIQSIDGVCGR-WKFYBSLTSA-N 1 1 541.758 4.260 1 0 KIAFMO O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CC[NH+](C2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC000049775327 562679016 /nfs/dbraw/zinc/67/90/16/562679016.db2.gz CBRSMMQFHKCNKQ-UHFFFAOYSA-N 1 1 539.680 4.090 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4nonc43)CC2)C1 ZINC000049775408 562679071 /nfs/dbraw/zinc/67/90/71/562679071.db2.gz CFVGQAQWOHALJT-DDKRZIBASA-N 1 1 545.684 4.217 1 0 KIAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@H](O)c4cc5ccccc5o4)cc1c32 ZINC000049775415 562679050 /nfs/dbraw/zinc/67/90/50/562679050.db2.gz MYJRZQIQQWFCKY-SANMLTNESA-N 1 1 585.060 4.473 1 0 KIAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@H](O)c4cc5ccccc5o4)cc1c32 ZINC000049775415 562679049 /nfs/dbraw/zinc/67/90/49/562679049.db2.gz MYJRZQIQQWFCKY-SANMLTNESA-N 1 1 585.060 4.473 1 0 KIAFMO Cc1c(C(=O)NCCN2CC[NH+](C)CC2)nc2cn[nH]c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c1-2 ZINC000049775723 562679204 /nfs/dbraw/zinc/67/92/04/562679204.db2.gz QXWHKOZXCRDBND-UHFFFAOYSA-N 1 1 552.054 4.359 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C1 ZINC000049777290 562679843 /nfs/dbraw/zinc/67/98/43/562679843.db2.gz PXKLEJCHPGUZTI-PLKPRKFZSA-N 1 1 545.684 4.217 1 0 KIAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@H](O)c4ccc5ccccc5n4)cc1c32 ZINC000049777449 562680036 /nfs/dbraw/zinc/68/00/36/562680036.db2.gz KTWPDMCUXSYASR-LJAQVGFWSA-N 1 1 596.087 4.275 1 0 KIAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@H](O)c4ccc5ccccc5n4)cc1c32 ZINC000049777449 562680035 /nfs/dbraw/zinc/68/00/35/562680035.db2.gz KTWPDMCUXSYASR-LJAQVGFWSA-N 1 1 596.087 4.275 1 0 KIAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@@H](O)c4ccc5ccccc5n4)cc1c32 ZINC000049777450 562680029 /nfs/dbraw/zinc/68/00/29/562680029.db2.gz KTWPDMCUXSYASR-GDLZYMKVSA-N 1 1 596.087 4.275 1 0 KIAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@@H](O)c4ccc5ccccc5n4)cc1c32 ZINC000049777450 562680028 /nfs/dbraw/zinc/68/00/28/562680028.db2.gz KTWPDMCUXSYASR-GDLZYMKVSA-N 1 1 596.087 4.275 1 0 KIAFMO Cc1cc(=O)oc2c1ccc1c2C(=O)C(CN2CCN(c3ccccc3)CC2)(C[NH+]2CCN(c3ccccc3)CC2)CO1 ZINC000049777596 562680305 /nfs/dbraw/zinc/68/03/05/562680305.db2.gz CHFMAFLBJKNXLK-UHFFFAOYSA-N 1 1 578.713 4.307 1 0 KIAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@@H](O)c4cc5ccccc5o4)cc1c32 ZINC000049777599 562680278 /nfs/dbraw/zinc/68/02/78/562680278.db2.gz MYJRZQIQQWFCKY-AREMUKBSSA-N 1 1 585.060 4.473 1 0 KIAFMO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@@H](O)c4cc5ccccc5o4)cc1c32 ZINC000049777599 562680277 /nfs/dbraw/zinc/68/02/77/562680277.db2.gz MYJRZQIQQWFCKY-AREMUKBSSA-N 1 1 585.060 4.473 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cc4nccnc4cn3)CC2)C1 ZINC000049777833 562680609 /nfs/dbraw/zinc/68/06/09/562680609.db2.gz NVPXSSPNYHRGBA-HMNRDNJPSA-N 1 1 556.711 4.019 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc4nccn43)CC2)C1 ZINC000049777929 562680685 /nfs/dbraw/zinc/68/06/85/562680685.db2.gz SKBUEWJIXHHCOK-GYUKIKGESA-N 1 1 543.712 4.329 1 0 KIAFMO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccccc3Cl)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049777942 562680695 /nfs/dbraw/zinc/68/06/95/562680695.db2.gz GKZQWMKJKRXIGM-ZTBAGHRESA-N 1 1 597.569 4.360 1 0 KIAFMO COc1ccc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000049778090 562680900 /nfs/dbraw/zinc/68/09/00/562680900.db2.gz UZWBTKVNLXACMQ-IFQMDVHZSA-N 1 1 557.640 4.255 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C1 ZINC000049780230 562681421 /nfs/dbraw/zinc/68/14/21/562681421.db2.gz LAGLXUYHYIDDKB-AYVPJYCDSA-N 1 1 562.740 4.081 1 0 KIAFMO Cc1cc(N2CCC([N@H+]3C[C@@H]4C[C@H]3CO4)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049780499 562681792 /nfs/dbraw/zinc/68/17/92/562681792.db2.gz LVOHHKIFPDWJJY-NLJOTIRTSA-N 1 1 575.113 4.467 1 0 KIAFMO Cc1cc(N2CCC([N@@H+]3C[C@@H]4C[C@H]3CO4)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049780499 562681791 /nfs/dbraw/zinc/68/17/91/562681791.db2.gz LVOHHKIFPDWJJY-NLJOTIRTSA-N 1 1 575.113 4.467 1 0 KIAFMO Cc1cc(N2CCC([N@H+]3C[C@@H]4C[C@H]3CO4)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000049780499 562681790 /nfs/dbraw/zinc/68/17/90/562681790.db2.gz LVOHHKIFPDWJJY-NLJOTIRTSA-N 1 1 575.113 4.467 1 0 KIAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(OC)c1OC ZINC000049780556 562681928 /nfs/dbraw/zinc/68/19/28/562681928.db2.gz HTWXDXZHJBDTKF-BYKSDJPESA-N 1 1 682.770 4.416 1 0 KIAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(OC)c1OC ZINC000049780557 562681903 /nfs/dbraw/zinc/68/19/03/562681903.db2.gz HTWXDXZHJBDTKF-UAVJCIKMSA-N 1 1 682.770 4.416 1 0 KIAFMO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@H+](CCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000049780839 562682411 /nfs/dbraw/zinc/68/24/11/562682411.db2.gz JEHICHZDFNRTSM-IQYFRZATSA-N 1 1 726.643 4.190 1 0 KIAFMO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@@H+](CCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000049780839 562682410 /nfs/dbraw/zinc/68/24/10/562682410.db2.gz JEHICHZDFNRTSM-IQYFRZATSA-N 1 1 726.643 4.190 1 0 KIAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000049780845 562682408 /nfs/dbraw/zinc/68/24/08/562682408.db2.gz UNKSWQVJNKCXOO-JOCHJYFZSA-N 1 1 565.036 4.222 1 0 KIAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](CCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000049780871 562682345 /nfs/dbraw/zinc/68/23/45/562682345.db2.gz SVVSTYJIQHCZMG-XMMPIXPASA-N 1 1 565.036 4.222 1 0 KIAFMO CCc1ccc(C(=O)N2CCC(CC[N@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000049781101 562682581 /nfs/dbraw/zinc/68/25/81/562682581.db2.gz PPWKTPLMIHJMGU-AREMUKBSSA-N 1 1 558.645 4.131 1 0 KIAFMO Cc1cc(C)cc(C(=O)N2CCC(CC[N@H+]3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 ZINC000049781198 562682770 /nfs/dbraw/zinc/68/27/70/562682770.db2.gz JOZCADLJFAAEHC-AREMUKBSSA-N 1 1 558.645 4.185 1 0 KIAFMO CNC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049781227 562682788 /nfs/dbraw/zinc/68/27/88/562682788.db2.gz WOEQPRQOUPZVIK-UHFFFAOYSA-N 1 1 594.760 4.216 1 0 KIAFMO CC(C)[NH+]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(C5CCOCC5)nc(N5CCOC[C@H]5C)n4)cc3)cc2)CC1 ZINC000049781243 562682811 /nfs/dbraw/zinc/68/28/11/562682811.db2.gz VYYATPJQKLXUAP-XMMPIXPASA-N 1 1 628.778 4.468 1 0 KIAFMO COC(=O)N1CCC(n2ncc3c2nc(-c2ccc(NC(=O)Nc4ccc(CCN5CC[NH+](C)CC5)cc4)cc2)nc3N2CCOCC2)CC1 ZINC000049783992 562683360 /nfs/dbraw/zinc/68/33/60/562683360.db2.gz YYIGVVUQYWUSKX-UHFFFAOYSA-N 1 1 682.830 4.167 1 0 KIAFMO COC(=O)N1CCC(n2ncc3c2nc(-c2ccc(NC(=O)Nc4ccc(CC[NH+]5CCOCC5)cc4)cc2)nc3N2CCOCC2)CC1 ZINC000049784645 562683680 /nfs/dbraw/zinc/68/36/80/562683680.db2.gz BZXCVHXYXYFXQP-UHFFFAOYSA-N 1 1 669.787 4.252 1 0 KIAFMO C[C@@H](NC(=O)c1cc(-c2noc([C@](C)([NH3+])Cc3ccccc3)n2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049784716 562683732 /nfs/dbraw/zinc/68/37/32/562683732.db2.gz IFSSCWNNZXMEGN-KWMCUTETSA-N 1 1 551.644 4.179 1 0 KIAFMO O=C(NCc1ccc(Cl)cc1)c1cn2c(C[N@@H+]3CCCC[C@@H]3CCO)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049784835 562683816 /nfs/dbraw/zinc/68/38/16/562683816.db2.gz VGZGGBZWJBPCLO-AREMUKBSSA-N 1 1 577.125 4.043 1 0 KIAFMO O=C(NCc1ccc(Cl)cc1)c1cn2c(C[N@@H+]3CCCC[C@H]3CCO)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049784836 562683793 /nfs/dbraw/zinc/68/37/93/562683793.db2.gz VGZGGBZWJBPCLO-SANMLTNESA-N 1 1 577.125 4.043 1 0 KIAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)CC3CC(F)(F)C3)c3cc(F)cc(F)c3)C[C@@H]2C1 ZINC000049784901 562683834 /nfs/dbraw/zinc/68/38/34/562683834.db2.gz ZUSMCXAJFLVLLT-IMSXRSKXSA-N 1 1 547.597 4.058 1 0 KIAFMO C[C@@H](NC(=O)c1cc(COC[C@@]([NH3+])(Cc2ccccc2)C(F)F)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049792783 562684524 /nfs/dbraw/zinc/68/45/24/562684524.db2.gz XUQLLZRPXRLNKI-GDJIYFAZSA-N 1 1 563.642 4.434 1 0 KIAFMO C[C@@H](NC(=O)c1cc(COC[C@]([NH3+])(Cc2ccccc2)C(F)F)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049792784 562684464 /nfs/dbraw/zinc/68/44/64/562684464.db2.gz XUQLLZRPXRLNKI-WHLCRQNOSA-N 1 1 563.642 4.434 1 0 KIAFMO Cc1nc(Cl)nc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)CC3CC(F)(F)C3)c3ccccc3)C[C@@H]2C1 ZINC000049793506 562684903 /nfs/dbraw/zinc/68/49/03/562684903.db2.gz BHZZWCMIOLBTNK-ZRBLBEILSA-N 1 1 546.062 4.434 1 0 KIAFMO CCN(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1)S(C)(=O)=O ZINC000049794056 562685345 /nfs/dbraw/zinc/68/53/45/562685345.db2.gz RZXIDOYEKBWJOX-GQUWGDPSSA-N 1 1 658.309 4.169 1 0 KIAFMO CCN(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2Cc3ccccc3N2)CC1)S(C)(=O)=O ZINC000049794057 562685352 /nfs/dbraw/zinc/68/53/52/562685352.db2.gz RZXIDOYEKBWJOX-JIZBBPSKSA-N 1 1 658.309 4.169 1 0 KIAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049802251 562685606 /nfs/dbraw/zinc/68/56/06/562685606.db2.gz JCEIOJXARAMKNB-JZUMHQTLSA-N 1 1 579.685 4.388 1 0 KIAFMO CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000049807832 562686497 /nfs/dbraw/zinc/68/64/97/562686497.db2.gz SEZGALPGIRIHAV-CUBQBAPOSA-N 1 1 536.742 4.377 1 0 KIAFMO COc1ccc(CN2C3C4(CO)C5[NH+](Cc6ccc(OC)cc6)C6C(CO)(C2C6(CO)C(c2ccccc2)C35CO)C4c2ccccc2)cc1 ZINC000049833097 562687480 /nfs/dbraw/zinc/68/74/80/562687480.db2.gz BEHPSUYDSQMLGA-UHFFFAOYSA-N 1 1 674.838 4.033 1 0 KIAFMO COc1cc2c(cc1OCCC[NH+]1CCN(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 562687551 /nfs/dbraw/zinc/68/75/51/562687551.db2.gz IFSWCDUZMRLVNK-QYOOZWMWSA-N 1 1 694.780 4.096 1 0 KIAFMO COCCOC(=O)N1CC[NH+](C2CCN(c3cc4[nH]c(-c5c(NC[C@@H](O)c6cccc(Cl)c6)cc[nH]c5=O)nc4c(C)c3)CC2)CC1 ZINC000049833592 562687913 /nfs/dbraw/zinc/68/79/13/562687913.db2.gz AHPTUXAIRHFFGA-GDLZYMKVSA-N 1 1 664.207 4.395 1 0 KIAFMO Cc1cc(N2CCC([NH+]3CCN(C(=O)N4CCOCC4)CC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049844787 562688609 /nfs/dbraw/zinc/68/86/09/562688609.db2.gz XSBPOCYYAOOLIV-SSEXGKCCSA-N 1 1 675.234 4.064 1 0 KIAFMO CCCN1CCN(c2nc(N3CC[NH+](CCC)CC3)nc(N3[C@H](c4ccc(OC)cc4)c4[nH]c5ccccc5c4C[C@H]3C(=O)OC)n2)CC1 ZINC000049853472 562688926 /nfs/dbraw/zinc/68/89/26/562688926.db2.gz CZZNQZBDJBWFTA-CQTOTRCISA-N 1 1 667.859 4.119 1 0 KIAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)cc1 ZINC000049867439 562689491 /nfs/dbraw/zinc/68/94/91/562689491.db2.gz NWDSKQPCBSNNRO-VPUSJEBWSA-N 1 1 565.070 4.346 1 0 KIAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)cc1 ZINC000049867439 562689490 /nfs/dbraw/zinc/68/94/90/562689490.db2.gz NWDSKQPCBSNNRO-VPUSJEBWSA-N 1 1 565.070 4.346 1 0 KIAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)cc1 ZINC000049867441 562689518 /nfs/dbraw/zinc/68/95/18/562689518.db2.gz NWDSKQPCBSNNRO-BDYUSTAISA-N 1 1 565.070 4.346 1 0 KIAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)cc1 ZINC000049867441 562689517 /nfs/dbraw/zinc/68/95/17/562689517.db2.gz NWDSKQPCBSNNRO-BDYUSTAISA-N 1 1 565.070 4.346 1 0 KIAFMO Cc1cc(N2CCC([NH+]3CCOCC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049872046 562689752 /nfs/dbraw/zinc/68/97/52/562689752.db2.gz ANBSWCCVJMJABF-AREMUKBSSA-N 1 1 563.102 4.327 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872172 562689776 /nfs/dbraw/zinc/68/97/76/562689776.db2.gz UWERQTMVFCVIKH-LJQANCHMSA-N 1 1 530.456 4.054 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872173 562689809 /nfs/dbraw/zinc/68/98/09/562689809.db2.gz UWERQTMVFCVIKH-IBGZPJMESA-N 1 1 530.456 4.054 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872191 562689836 /nfs/dbraw/zinc/68/98/36/562689836.db2.gz CDVPZOLKAOOWHP-LJQANCHMSA-N 1 1 545.467 4.492 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872192 562689849 /nfs/dbraw/zinc/68/98/49/562689849.db2.gz CDVPZOLKAOOWHP-IBGZPJMESA-N 1 1 545.467 4.492 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2cccc(C(F)(F)F)c2)CC1 ZINC000049872197 562689852 /nfs/dbraw/zinc/68/98/52/562689852.db2.gz BBDVZBHGQHHUSX-HXUWFJFHSA-N 1 1 546.615 4.173 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2cccc(C(F)(F)F)c2)CC1 ZINC000049872198 562689845 /nfs/dbraw/zinc/68/98/45/562689845.db2.gz BBDVZBHGQHHUSX-FQEVSTJZSA-N 1 1 546.615 4.173 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872260 562689876 /nfs/dbraw/zinc/68/98/76/562689876.db2.gz DHIRSZVYSXUGQE-GOSISDBHSA-N 1 1 531.440 4.102 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872261 562689904 /nfs/dbraw/zinc/68/99/04/562689904.db2.gz DHIRSZVYSXUGQE-SFHVURJKSA-N 1 1 531.440 4.102 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872298 562689931 /nfs/dbraw/zinc/68/99/31/562689931.db2.gz QLCZTWPVPCXLLL-HXUWFJFHSA-N 1 1 544.483 4.444 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872299 562689895 /nfs/dbraw/zinc/68/98/95/562689895.db2.gz QLCZTWPVPCXLLL-FQEVSTJZSA-N 1 1 544.483 4.444 1 0 KIAFMO CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000049872485 562690061 /nfs/dbraw/zinc/69/00/61/562690061.db2.gz LHRFRCCOWXEVBM-RQZMOBKGSA-N 1 1 510.634 4.250 1 0 KIAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049877479 562690138 /nfs/dbraw/zinc/69/01/38/562690138.db2.gz NFISKOMUDCPOHQ-UHFFFAOYSA-N 1 1 579.745 4.423 1 0 KIAFMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)CC3)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000049877642 562690208 /nfs/dbraw/zinc/69/02/08/562690208.db2.gz ANFLEJCWDWZJHQ-UHFFFAOYSA-N 1 1 639.797 4.440 1 0 KIAFMO C=CC(=O)Nc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Cc1ccc(F)c(Br)c1 ZINC000049877782 562690281 /nfs/dbraw/zinc/69/02/81/562690281.db2.gz UJVVZEIDERNUNH-UHFFFAOYSA-N 1 1 529.410 4.348 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049878140 562690482 /nfs/dbraw/zinc/69/04/82/562690482.db2.gz QLMSZKYUVXSUOT-JOCHJYFZSA-N 1 1 543.590 4.156 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049878141 562690484 /nfs/dbraw/zinc/69/04/84/562690484.db2.gz QLMSZKYUVXSUOT-QFIPXVFZSA-N 1 1 543.590 4.156 1 0 KIAFMO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000049878416 562690575 /nfs/dbraw/zinc/69/05/75/562690575.db2.gz DSICSIFFXHDWFT-RCOXUUTHSA-N 1 1 543.491 4.333 1 0 KIAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@H+]4Cc4ccccc4)ccc3CC[C@H]2O)cc1 ZINC000049881573 562690935 /nfs/dbraw/zinc/69/09/35/562690935.db2.gz TWWJMRNAXUOBDM-MPFGFTFXSA-N 1 1 533.694 4.179 1 0 KIAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@H+]4Cc4cccc(OC)c4)ccc3CC[C@H]2O)cc1 ZINC000049881643 562691015 /nfs/dbraw/zinc/69/10/15/562691015.db2.gz MUSFDFRZYSUXEO-IDZRBWSNSA-N 1 1 563.720 4.187 1 0 KIAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@@H+]4Cc4cccc(OC)c4)ccc3CC[C@H]2O)cc1 ZINC000049881643 562691014 /nfs/dbraw/zinc/69/10/14/562691014.db2.gz MUSFDFRZYSUXEO-IDZRBWSNSA-N 1 1 563.720 4.187 1 0 KIAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@H+]4Cc4cccc(C)c4)ccc3CC[C@H]2O)cc1 ZINC000049881661 562690997 /nfs/dbraw/zinc/69/09/97/562690997.db2.gz LUPXVXXXHLDFJG-IDZRBWSNSA-N 1 1 547.721 4.487 1 0 KIAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2nccs2)cc1 ZINC000049881694 562691069 /nfs/dbraw/zinc/69/10/69/562691069.db2.gz PEOOSIUFRFKSNU-SFHVURJKSA-N 1 1 530.499 4.306 1 0 KIAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCc2ccc(Cl)c(Cl)c2)Cc2nccs2)cc1 ZINC000049881694 562691068 /nfs/dbraw/zinc/69/10/68/562691068.db2.gz PEOOSIUFRFKSNU-SFHVURJKSA-N 1 1 530.499 4.306 1 0 KIAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(NC(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000049888753 562691448 /nfs/dbraw/zinc/69/14/48/562691448.db2.gz BLJRQOVYUKOSPW-SFHVURJKSA-N 1 1 540.064 4.226 1 0 KIAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(NC(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000049888754 562691432 /nfs/dbraw/zinc/69/14/32/562691432.db2.gz BLJRQOVYUKOSPW-GOSISDBHSA-N 1 1 540.064 4.226 1 0 KIAFMO OCCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ncccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049888771 562691434 /nfs/dbraw/zinc/69/14/34/562691434.db2.gz YAZWKGZMTQWFEC-UHFFFAOYSA-N 1 1 653.795 4.428 1 0 KIAFMO [NH3+]CCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 ZINC000049898508 562692597 /nfs/dbraw/zinc/69/25/97/562692597.db2.gz QLDNHZWVHCUXEY-CHQNGUEUSA-N 1 1 679.778 4.003 1 0 KIAFMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049899460 562693148 /nfs/dbraw/zinc/69/31/48/562693148.db2.gz SGJFKFRGJLVMQE-MHZLTWQESA-N 1 1 635.730 4.472 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049908125 562693456 /nfs/dbraw/zinc/69/34/56/562693456.db2.gz UBDJNLDVQBFRGZ-LUOAFHGHSA-N 1 1 670.826 4.357 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049908125 562693455 /nfs/dbraw/zinc/69/34/55/562693455.db2.gz UBDJNLDVQBFRGZ-LUOAFHGHSA-N 1 1 670.826 4.357 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049908139 562693500 /nfs/dbraw/zinc/69/35/00/562693500.db2.gz AOMZDQMIOCTPQP-OGJUHTASSA-N 1 1 652.836 4.218 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049908139 562693499 /nfs/dbraw/zinc/69/34/99/562693499.db2.gz AOMZDQMIOCTPQP-OGJUHTASSA-N 1 1 652.836 4.218 1 0 KIAFMO O=C(/C=C/c1ccccc1Cl)Nc1ccc(Br)c(OCCN2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000049917611 562693663 /nfs/dbraw/zinc/69/36/63/562693663.db2.gz STQIAOODNFRMPO-VMPITWQZSA-N 1 1 577.951 4.083 1 0 KIAFMO CS(=O)(=O)CCNc1nc(N2CCc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3C2)cc[nH+]1 ZINC000049917653 562693721 /nfs/dbraw/zinc/69/37/21/562693721.db2.gz HDGGEVUNXDLELK-UHFFFAOYSA-N 1 1 584.077 4.401 1 0 KIAFMO C[N@@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Cl)cc3Cl)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049938089 562695048 /nfs/dbraw/zinc/69/50/48/562695048.db2.gz NXLJAXRQGLHHAW-GDLZYMKVSA-N 1 1 628.467 4.113 1 0 KIAFMO C[N@@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Cl)cc3Cl)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000049938091 562695058 /nfs/dbraw/zinc/69/50/58/562695058.db2.gz NXLJAXRQGLHHAW-LJAQVGFWSA-N 1 1 628.467 4.113 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3ccccc3F)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000053045280 562696111 /nfs/dbraw/zinc/69/61/11/562696111.db2.gz JRBQYUOXPRFHDP-YSQWDHOWSA-N 1 1 507.514 4.043 1 0 KIAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000053174593 562696354 /nfs/dbraw/zinc/69/63/54/562696354.db2.gz VOAMRMSFOPSPDN-JOCHJYFZSA-N 1 1 525.049 4.227 1 0 KIAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1 ZINC000053174594 562696359 /nfs/dbraw/zinc/69/63/59/562696359.db2.gz VOAMRMSFOPSPDN-QFIPXVFZSA-N 1 1 525.049 4.227 1 0 KIAFMO Cc1ccc(Sc2ncccc2C(=O)NC[C@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053175311 562696331 /nfs/dbraw/zinc/69/63/31/562696331.db2.gz VAKXYYCMBYGANK-QHCPKHFHSA-N 1 1 520.699 4.241 1 0 KIAFMO Cc1ccc(Sc2ncccc2C(=O)NC[C@@H](O)C[NH+]2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000053175312 562696333 /nfs/dbraw/zinc/69/63/33/562696333.db2.gz VAKXYYCMBYGANK-HSZRJFAPSA-N 1 1 520.699 4.241 1 0 KIAFMO Cc1ccccc1Sc1ncccc1C(=O)NC[C@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175348 562696369 /nfs/dbraw/zinc/69/63/69/562696369.db2.gz KXOSNWXSAJZVDJ-QHCPKHFHSA-N 1 1 520.699 4.241 1 0 KIAFMO Cc1ccccc1Sc1ncccc1C(=O)NC[C@@H](O)C[NH+]1CCN(c2ccccc2OC(C)C)CC1 ZINC000053175351 562696338 /nfs/dbraw/zinc/69/63/38/562696338.db2.gz KXOSNWXSAJZVDJ-HSZRJFAPSA-N 1 1 520.699 4.241 1 0 KIAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)cc2)CC1 ZINC000053194166 562696465 /nfs/dbraw/zinc/69/64/65/562696465.db2.gz LTHBHNLPZIRMCD-HSZRJFAPSA-N 1 1 524.065 4.179 1 0 KIAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(Cl)cc2)CC1 ZINC000053194168 562696477 /nfs/dbraw/zinc/69/64/77/562696477.db2.gz LTHBHNLPZIRMCD-QHCPKHFHSA-N 1 1 524.065 4.179 1 0 KIAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6n[nH]cc6c5)c4)CC3)CC2)CC1 ZINC000053276647 562697117 /nfs/dbraw/zinc/69/71/17/562697117.db2.gz PBKLUNRFLIHUNF-UHFFFAOYSA-N 1 1 619.770 4.299 1 0 KIAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c[nH]nc6c5)c4)CC3)CC2)CC1 ZINC000053293587 562697185 /nfs/dbraw/zinc/69/71/85/562697185.db2.gz YLUBFPLAWNZCMH-UHFFFAOYSA-N 1 1 619.770 4.299 1 0 KIAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(CCCO)cc5)c4)CC3)CC2)CC1 ZINC000053294852 562697290 /nfs/dbraw/zinc/69/72/90/562697290.db2.gz LJPUKTJHXWUYHX-UHFFFAOYSA-N 1 1 637.825 4.348 1 0 KIAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc(O)cc5)c4)CC3)CC2)CC1 ZINC000053296711 562697367 /nfs/dbraw/zinc/69/73/67/562697367.db2.gz IFZMGZXYKIZJBU-UHFFFAOYSA-N 1 1 595.744 4.129 1 0 KIAFMO COc1cc(C[N@H+]2CCCN(CC(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000058482624 562698074 /nfs/dbraw/zinc/69/80/74/562698074.db2.gz TZJQJQDBINYLFZ-UHFFFAOYSA-N 1 1 565.070 4.405 1 0 KIAFMO COc1cc(C[N@@H+]2CCCN(CC(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000058482624 562698073 /nfs/dbraw/zinc/69/80/73/562698073.db2.gz TZJQJQDBINYLFZ-UHFFFAOYSA-N 1 1 565.070 4.405 1 0 KIAFMO CCN(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2Cc3ccccc3N2)CC1)S(C)(=O)=O ZINC000058492142 562698222 /nfs/dbraw/zinc/69/82/22/562698222.db2.gz RZXIDOYEKBWJOX-AFEGNUHBSA-N 1 1 658.309 4.169 1 0 KIAFMO C[N@H+]1CCC[C@H]1CCNC(=O)OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000058498180 562698233 /nfs/dbraw/zinc/69/82/33/562698233.db2.gz GRHFGPUSCILVJD-FCHUYYIVSA-N 1 1 506.068 4.451 1 0 KIAFMO CC(C)N(C[C@@H](N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)(C)C)S(C)(=O)=O ZINC000058498956 562698252 /nfs/dbraw/zinc/69/82/52/562698252.db2.gz LEBMPCXJMQSILA-BFLUCZKCSA-N 1 1 570.791 4.008 1 0 KIAFMO CC(C)C[C@@H](CN(C(C)C)S(C)(=O)=O)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058506618 562698346 /nfs/dbraw/zinc/69/83/46/562698346.db2.gz PIZZMBOKKTYTAJ-AYRHNUGRSA-N 1 1 570.791 4.008 1 0 KIAFMO CC(C)[C@@H]1NC(=O)/C=C\CCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000058507453 562698390 /nfs/dbraw/zinc/69/83/90/562698390.db2.gz QTAYUWFZSBEHPK-RJIXJEKSSA-N 1 1 624.867 4.130 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000058513299 562698435 /nfs/dbraw/zinc/69/84/35/562698435.db2.gz ZVWSWYSIMOZTTG-QVDBQUMVSA-N 1 1 722.883 4.357 1 0 KIAFMO O=C1CC[C@](CC[NH+]2CC(N3CC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000058519458 562698513 /nfs/dbraw/zinc/69/85/13/562698513.db2.gz UXOFSGJDRPUGPP-YIXXDRMTSA-N 1 1 502.486 4.195 1 0 KIAFMO O=C1CC[C@](CCN2CC([N@H+]3CC[C@@H](O)C3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000058519458 562698512 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511.661 4.248 1 0 KIAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](c3ccccc3)C3CCN(CC(F)F)CC3)C[C@@H]2C1 ZINC000064746243 562709137 /nfs/dbraw/zinc/70/91/37/562709137.db2.gz IDSHXLDGGWIGBW-UODIDJSMSA-N 1 1 511.661 4.248 1 0 KIAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000064746541 562709132 /nfs/dbraw/zinc/70/91/32/562709132.db2.gz YPOQZYAEUURBAA-IARZGTGTSA-N 1 1 517.718 4.166 1 0 KIAFMO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CCN(C(=O)C(C)C)CC3)C[C@@H]2C1 ZINC000064746543 562709121 /nfs/dbraw/zinc/70/91/21/562709121.db2.gz YPOQZYAEUURBAA-OZNIXHKMSA-N 1 1 517.718 4.166 1 0 KIAFMO C[NH+]1CCN(c2cc(Br)cc3c2C(=O)CCN3S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000066058863 562709210 /nfs/dbraw/zinc/70/92/10/562709210.db2.gz QRHABVZRVLWPOZ-UHFFFAOYSA-N 1 1 514.445 4.136 1 0 KIAFMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@@H](NCC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066065934 562709218 /nfs/dbraw/zinc/70/92/18/562709218.db2.gz OGJKCDKDZJMBOT-XMCDHTSPSA-N 1 1 534.697 4.133 1 0 KIAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCNC(=O)c1cc(Br)cc(OC)c1OC)CCC2 ZINC000066066177 562709307 /nfs/dbraw/zinc/70/93/07/562709307.db2.gz NJCIKEWNYXOLNQ-UHFFFAOYSA-N 1 1 521.452 4.442 1 0 KIAFMO Cc1ccc(-n2nc(C(N)=O)c3c2-c2cc(NC(=O)c4cc(N5CC[NH+](C)CC5)ncc4Cl)ccc2CC3)cc1 ZINC000066066621 562709484 /nfs/dbraw/zinc/70/94/84/562709484.db2.gz TVIAIQMAKWUOMB-UHFFFAOYSA-N 1 1 556.070 4.098 1 0 KIAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074420 562709876 /nfs/dbraw/zinc/70/98/76/562709876.db2.gz KGMLFGARCJUMAB-LJAQVGFWSA-N 1 1 564.738 4.392 1 0 KIAFMO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074420 562709875 /nfs/dbraw/zinc/70/98/75/562709875.db2.gz KGMLFGARCJUMAB-LJAQVGFWSA-N 1 1 564.738 4.392 1 0 KIAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074421 562709852 /nfs/dbraw/zinc/70/98/52/562709852.db2.gz KGMLFGARCJUMAB-GDLZYMKVSA-N 1 1 564.738 4.392 1 0 KIAFMO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ncccn5)CC4)nn2)c1-3 ZINC000066074421 562709851 /nfs/dbraw/zinc/70/98/51/562709851.db2.gz KGMLFGARCJUMAB-GDLZYMKVSA-N 1 1 564.738 4.392 1 0 KIAFMO CCNC(=O)Nc1sc2cc(C)ccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C(C)(C)CF)CC2)CC1 ZINC000066074472 562709807 /nfs/dbraw/zinc/70/98/07/562709807.db2.gz XIDJYILXOPDNER-UHFFFAOYSA-N 1 1 531.698 4.096 1 0 KIAFMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)CC[C@H](NCC(=O)OC(C)(C)C)[C@@H]3O5 ZINC000066074563 562709838 /nfs/dbraw/zinc/70/98/38/562709838.db2.gz OGJKCDKDZJMBOT-MINMQMFNSA-N 1 1 534.697 4.133 1 0 KIAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000066074774 562709922 /nfs/dbraw/zinc/70/99/22/562709922.db2.gz VPAWMSUGIJLXJR-UHFFFAOYSA-N 1 1 525.719 4.372 1 0 KIAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)OC3CCCC3)CC2)CC1 ZINC000066075488 562710013 /nfs/dbraw/zinc/71/00/13/562710013.db2.gz CWHJHZIRUWAEBE-UHFFFAOYSA-N 1 1 527.691 4.344 1 0 KIAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066076284 562710124 /nfs/dbraw/zinc/71/01/24/562710124.db2.gz FOTORMTYAPFORB-YWJWNQRBSA-N 1 1 551.643 4.315 1 0 KIAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000066076287 562710137 /nfs/dbraw/zinc/71/01/37/562710137.db2.gz FOTORMTYAPFORB-NGSBZUICSA-N 1 1 551.643 4.315 1 0 KIAFMO CN(C)C(=O)CC[NH+]1CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000066076927 562710212 /nfs/dbraw/zinc/71/02/12/562710212.db2.gz UBLMHOGWPZTKCS-RBISFHTESA-N 1 1 549.518 4.145 1 0 KIAFMO C[N@H+]1CCC[C@@H]1c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000066078617 562710442 /nfs/dbraw/zinc/71/04/42/562710442.db2.gz BWMOSLZAUDDHEQ-XZOQPEGZSA-N 1 1 502.011 4.483 1 0 KIAFMO C[N@H+]1CCC[C@H]1c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000066078618 562710461 /nfs/dbraw/zinc/71/04/61/562710461.db2.gz BWMOSLZAUDDHEQ-GOTSBHOMSA-N 1 1 502.011 4.483 1 0 KIAFMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)c(F)c3)CC4)c(Cl)cn2)CC1 ZINC000066078655 562710491 /nfs/dbraw/zinc/71/04/91/562710491.db2.gz FURWSAGJNCIHCJ-UHFFFAOYSA-N 1 1 578.023 4.068 1 0 KIAFMO C[NH+](C)CC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 ZINC000066078908 562710545 /nfs/dbraw/zinc/71/05/45/562710545.db2.gz UPWKNRFAWRYMMX-UHFFFAOYSA-N 1 1 505.522 4.420 1 0 KIAFMO C[NH+](C)CCNCC(=O)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 ZINC000066078913 562710513 /nfs/dbraw/zinc/71/05/13/562710513.db2.gz FIIFHKDXMTXXNS-UHFFFAOYSA-N 1 1 548.591 4.010 1 0 KIAFMO C[C@H]1CN(c2ncc(C(=O)N3CCC3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079089 562710593 /nfs/dbraw/zinc/71/05/93/562710593.db2.gz UZQBZHABMBQUAM-IBGZPJMESA-N 1 1 502.490 4.409 1 0 KIAFMO C[C@H]1CN(c2ncc(C(=O)N3CCC3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079089 562710592 /nfs/dbraw/zinc/71/05/92/562710592.db2.gz UZQBZHABMBQUAM-IBGZPJMESA-N 1 1 502.490 4.409 1 0 KIAFMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(O)c(Cl)c3)CC4)c(Cl)cn2)CC1 ZINC000066079112 562710561 /nfs/dbraw/zinc/71/05/61/562710561.db2.gz VEROCBVJOISPBA-UHFFFAOYSA-N 1 1 592.487 4.148 1 0 KIAFMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(Cl)c(O)c3)CC4)c(Cl)cn2)CC1 ZINC000066098157 562710887 /nfs/dbraw/zinc/71/08/87/562710887.db2.gz KZGCOQDKUAUUHD-UHFFFAOYSA-N 1 1 592.487 4.148 1 0 KIAFMO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3OC)ncc2Cl)c1 ZINC000066101300 562711331 /nfs/dbraw/zinc/71/13/31/562711331.db2.gz BPEFCDBVGABAOI-UHFFFAOYSA-N 1 1 522.993 4.187 1 0 KIAFMO CO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CC[N@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000066101366 562711337 /nfs/dbraw/zinc/71/13/37/562711337.db2.gz NLPKHHZDESNXNS-SQOVJYTMSA-N 1 1 545.650 4.425 1 0 KIAFMO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(CC(=O)N4CC[NH+](C)CC4)cc3)ncc2Cl)c1 ZINC000066101633 562711358 /nfs/dbraw/zinc/71/13/58/562711358.db2.gz PATSNFRLSJKMKA-UHFFFAOYSA-N 1 1 506.994 4.107 1 0 KIAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000066111985 562711927 /nfs/dbraw/zinc/71/19/27/562711927.db2.gz BOTXYFKOQUBHJZ-UHFFFAOYSA-N 1 1 515.680 4.200 1 0 KIAFMO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)OC(C)(C)CF)CC2)CC1 ZINC000066111987 562711966 /nfs/dbraw/zinc/71/19/66/562711966.db2.gz LJJOXRQVIFTIFY-UHFFFAOYSA-N 1 1 533.670 4.150 1 0 KIAFMO CNC(=O)c1cnc(N2CC[N@H+](C3CCN(C(=O)c4ccnc5cc(Cl)ccc54)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000066113369 562712218 /nfs/dbraw/zinc/71/22/18/562712218.db2.gz HZCDSXBJXLUGNS-KRWDZBQOSA-N 1 1 541.483 4.112 1 0 KIAFMO CNC(=O)c1cnc(N2CC[N@@H+](C3CCN(C(=O)c4ccnc5cc(Cl)ccc54)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000066113369 562712217 /nfs/dbraw/zinc/71/22/17/562712217.db2.gz HZCDSXBJXLUGNS-KRWDZBQOSA-N 1 1 541.483 4.112 1 0 KIAFMO Cc1ccc(S(=O)(=O)N2CCc3ccc(C(=O)NCC[N@@H+](Cc4ccccc4)C(C)C)cc3C2)cc1 ZINC000066123159 562712463 /nfs/dbraw/zinc/71/24/63/562712463.db2.gz RVHXVZKUNBAYDT-UHFFFAOYSA-N 1 1 505.684 4.382 1 0 KIAFMO CO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CC[N@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000066128572 562712767 /nfs/dbraw/zinc/71/27/67/562712767.db2.gz NLPKHHZDESNXNS-GJECAEJISA-N 1 1 545.650 4.425 1 0 KIAFMO COc1ccc(C[N@@H+](CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)C(C)C)cc1 ZINC000066129109 562712882 /nfs/dbraw/zinc/71/28/82/562712882.db2.gz SYHSIWZZBAKLRD-UHFFFAOYSA-N 1 1 509.672 4.123 1 0 KIAFMO CC[N@@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1 ZINC000066129388 562712950 /nfs/dbraw/zinc/71/29/50/562712950.db2.gz ILQYMJFEPKVMHE-UHFFFAOYSA-N 1 1 530.488 4.180 1 0 KIAFMO CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccc(OC)cc3)C(C)C)cc2)cc1 ZINC000066136251 562713057 /nfs/dbraw/zinc/71/30/57/562713057.db2.gz CNLWMMOBWSGDKY-UHFFFAOYSA-N 1 1 523.699 4.377 1 0 KIAFMO CCNC(=O)Nc1sc2cc(OC)ccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136514 562713173 /nfs/dbraw/zinc/71/31/73/562713173.db2.gz BPKGGSTUSMDALH-UHFFFAOYSA-N 1 1 583.677 4.389 1 0 KIAFMO O=C(NCC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2[nH]1 ZINC000066137098 562713265 /nfs/dbraw/zinc/71/32/65/562713265.db2.gz XIJZOWGASFOIBM-QGZVFWFLSA-N 1 1 587.289 4.382 1 0 KIAFMO O=C(NCC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2[nH]1 ZINC000066137099 562713234 /nfs/dbraw/zinc/71/32/34/562713234.db2.gz XIJZOWGASFOIBM-KRWDZBQOSA-N 1 1 587.289 4.382 1 0 KIAFMO COc1ccc(C[N@@H+](CCNC(=O)c2cccc(CNS(=O)(=O)c3ccc(C)cc3)c2)C(C)C)cc1 ZINC000066139317 562713421 /nfs/dbraw/zinc/71/34/21/562713421.db2.gz NZANAUYJLTXYOD-UHFFFAOYSA-N 1 1 509.672 4.123 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(CC[NH+]5CCOCC5)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000066165902 562714012 /nfs/dbraw/zinc/71/40/12/562714012.db2.gz QGYURBWGULTBLO-QIXIFPRPSA-N 1 1 588.657 4.101 1 0 KIAFMO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccccc4)C(C)C)ccc3C2)cc1 ZINC000066167112 562714248 /nfs/dbraw/zinc/71/42/48/562714248.db2.gz UOSIKGNCJCOVJD-UHFFFAOYSA-N 1 1 505.684 4.382 1 0 KIAFMO CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)OCCCN3C(=O)C[NH+]2CCCC2)ncc1Cl ZINC000066251669 562714547 /nfs/dbraw/zinc/71/45/47/562714547.db2.gz SSAJMZMXAVVRKS-UHFFFAOYSA-N 1 1 554.026 4.327 1 0 KIAFMO COCCOc1ccc(Nc2nc(Nc3cc4c(cc3OC)CC[N@@H+](CC(=O)N(C)C)CC4)ncc2Cl)c(OC)c1 ZINC000066251856 562714563 /nfs/dbraw/zinc/71/45/63/562714563.db2.gz ZGBMHLAMQUGCST-UHFFFAOYSA-N 1 1 585.105 4.148 1 0 KIAFMO O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066251955 562714610 /nfs/dbraw/zinc/71/46/10/562714610.db2.gz LLDGVRXISQBZHU-RZRVZGFNSA-N 1 1 562.596 4.057 1 0 KIAFMO O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066251956 562714627 /nfs/dbraw/zinc/71/46/27/562714627.db2.gz LLDGVRXISQBZHU-SHZPJRIYSA-N 1 1 562.596 4.057 1 0 KIAFMO C[N@@H+](C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000066251971 562714623 /nfs/dbraw/zinc/71/46/23/562714623.db2.gz OCVDYKIDLGUZLY-XMMPIXPASA-N 1 1 510.416 4.347 1 0 KIAFMO C[N@@H+](C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000066251972 562714632 /nfs/dbraw/zinc/71/46/32/562714632.db2.gz OCVDYKIDLGUZLY-DEOSSOPVSA-N 1 1 510.416 4.347 1 0 KIAFMO C[N@@H+](C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066251973 562714641 /nfs/dbraw/zinc/71/46/41/562714641.db2.gz ZSALPMNGTICXBQ-XMMPIXPASA-N 1 1 510.416 4.347 1 0 KIAFMO C[N@@H+](C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066251974 562714619 /nfs/dbraw/zinc/71/46/19/562714619.db2.gz ZSALPMNGTICXBQ-DEOSSOPVSA-N 1 1 510.416 4.347 1 0 KIAFMO COc1ccc(Nc2nc(Nc3cc4c(cc3OC)CC[N@@H+](CC(=O)N(C)C)CC4)ncc2Cl)c(OC)c1 ZINC000066252052 562714647 /nfs/dbraw/zinc/71/46/47/562714647.db2.gz YMVVZENKOZBFDW-UHFFFAOYSA-N 1 1 541.052 4.132 1 0 KIAFMO Cc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)cc1 ZINC000066252387 562714741 /nfs/dbraw/zinc/71/47/41/562714741.db2.gz CAEPFCXVYUBGAO-JBYXOPKCSA-N 1 1 558.633 4.227 1 0 KIAFMO Cc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)cc1 ZINC000066252388 562714745 /nfs/dbraw/zinc/71/47/45/562714745.db2.gz CAEPFCXVYUBGAO-IZAYSLALSA-N 1 1 558.633 4.227 1 0 KIAFMO CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)CC1 ZINC000066258411 562714942 /nfs/dbraw/zinc/71/49/42/562714942.db2.gz JAKVUYBKNKMGIV-UHFFFAOYSA-N 1 1 610.740 4.059 1 0 KIAFMO COc1ccccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@@H+](CC(=O)N(C)C)CC3)ncc1Cl ZINC000066258460 562715004 /nfs/dbraw/zinc/71/50/04/562715004.db2.gz JVCFOBYUGHIPJO-UHFFFAOYSA-N 1 1 511.026 4.123 1 0 KIAFMO OCC[NH+]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066259553 562715295 /nfs/dbraw/zinc/71/52/95/562715295.db2.gz DGBYTQSMHNWONG-UHFFFAOYSA-N 1 1 581.565 4.372 1 0 KIAFMO O=C(CC[NH+]1CCOCC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c21 ZINC000066259720 562715344 /nfs/dbraw/zinc/71/53/44/562715344.db2.gz RCBKIBVIUKBMFX-UHFFFAOYSA-N 1 1 569.687 4.227 1 0 KIAFMO O=C(/C=C/c1ccccc1F)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066263752 562715548 /nfs/dbraw/zinc/71/55/48/562715548.db2.gz GHJZHZRUCWCDCY-BFXDSYMESA-N 1 1 562.596 4.057 1 0 KIAFMO O=C(/C=C/c1ccccc1F)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066263754 562715528 /nfs/dbraw/zinc/71/55/28/562715528.db2.gz GHJZHZRUCWCDCY-PVGYFADJSA-N 1 1 562.596 4.057 1 0 KIAFMO O=C(/C=C/c1cccc(F)c1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066263756 562715559 /nfs/dbraw/zinc/71/55/59/562715559.db2.gz UWNHDUZXFUBNKE-FSIVXCNASA-N 1 1 562.596 4.057 1 0 KIAFMO O=C(/C=C/c1cccc(F)c1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066263759 562715531 /nfs/dbraw/zinc/71/55/31/562715531.db2.gz UWNHDUZXFUBNKE-AAFXAJRRSA-N 1 1 562.596 4.057 1 0 KIAFMO COCC[NH+]1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3oc4ccccc4c32)CC1 ZINC000066263786 562715582 /nfs/dbraw/zinc/71/55/82/562715582.db2.gz XGSQBEJHNKMRMT-UHFFFAOYSA-N 1 1 595.700 4.134 1 0 KIAFMO C[NH+]1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3oc4ccccc4c32)CC1 ZINC000066263984 562715612 /nfs/dbraw/zinc/71/56/12/562715612.db2.gz ILTYKXNFGFMORV-UHFFFAOYSA-N 1 1 551.647 4.117 1 0 KIAFMO C[N@H+]1CCC[C@@H]1CCNCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000067973937 562715650 /nfs/dbraw/zinc/71/56/50/562715650.db2.gz YZWIGOVHAHQNDZ-XMMPIXPASA-N 1 1 645.459 4.302 1 0 KIAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C)CC3)nc12 ZINC000068198104 562715891 /nfs/dbraw/zinc/71/58/91/562715891.db2.gz PPPXNVCXWVGILA-UHFFFAOYSA-N 1 1 537.550 4.077 1 0 KIAFMO Cc1nc2ccc(C(F)(F)F)cc2nc1/C=C/c1nc(N[C@@H]2CCS(=O)(=O)C2)cc(N2CCCC2)[nH+]1 ZINC000068199172 562715938 /nfs/dbraw/zinc/71/59/38/562715938.db2.gz OWGBAXYFKOACPT-DKRLNXSXSA-N 1 1 518.565 4.117 1 0 KIAFMO C[NH+]1CCN(C(=O)[C@@H](COCC2(C)CC2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000068245742 562716112 /nfs/dbraw/zinc/71/61/12/562716112.db2.gz GCNGNRXFHCZYCX-HXUWFJFHSA-N 1 1 554.997 4.235 1 0 KIAFMO CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[C@H](c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O ZINC000070454701 291834483 /nfs/dbraw/zinc/83/44/83/291834483.db2.gz GVFKEVFAPIUOAI-CBMKCQLQSA-N 1 1 568.718 4.096 1 0 biogenic,in-vitro KIAFMO CC[N@@H+](CCNC(=O)c1ccc2cc(I)ccc2c1)CCOc1cccnc1F ZINC000071280900 562716588 /nfs/dbraw/zinc/71/65/88/562716588.db2.gz AZRPSCXBSGLHOK-UHFFFAOYSA-N 1 1 507.347 4.109 1 0 KIAFMO COc1ccc2[nH+]c(C)cc(-n3cc(CN4CCN(C(=O)c5ccc(Cl)c(Cl)c5)CC4)nn3)c2c1 ZINC000071295003 562717070 /nfs/dbraw/zinc/71/70/70/562717070.db2.gz POUONLLEXHGNBQ-UHFFFAOYSA-N 1 1 511.413 4.397 1 0 KIAFMO CN1CC[NH+](CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2ccccc2)CC1 ZINC000071316140 562717844 /nfs/dbraw/zinc/71/78/44/562717844.db2.gz PKYXBBFBKAWMEC-LJAQVGFWSA-N 1 1 533.116 4.347 1 0 KIAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(OC)c2)cc1 ZINC000071316412 562717944 /nfs/dbraw/zinc/71/79/44/562717944.db2.gz UIEBMEVJWGYUNB-RPLLCQBOSA-N 1 1 504.627 4.409 1 0 KIAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCC[NH+]2CCN(C)CC2)Cc2ccccc2)c(C)c1C ZINC000071316504 562717921 /nfs/dbraw/zinc/71/79/21/562717921.db2.gz HCNMECLUINAZJI-HKBQPEDESA-N 1 1 606.833 4.176 1 0 KIAFMO COc1cc(C)c(S(=O)(=O)N[C@H](C(=O)N(CCC[NH+]2CCN(C)CC2)Cc2ccccc2)c2ccccc2)c(C)c1C ZINC000071316774 562718020 /nfs/dbraw/zinc/71/80/20/562718020.db2.gz XEPZFPHEEDVGBI-HKBQPEDESA-N 1 1 592.806 4.306 1 0 KIAFMO CN1CC[NH+](CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NS(=O)(=O)Cc2ccccc2)CC1 ZINC000071316843 562718027 /nfs/dbraw/zinc/71/80/27/562718027.db2.gz VOFSLZNLDJWDDV-PMERELPUSA-N 1 1 583.198 4.037 1 0 KIAFMO CN1CC[NH+](CCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccccc2)CC1 ZINC000071317166 562718156 /nfs/dbraw/zinc/71/81/56/562718156.db2.gz ONIJYHFPJCZMOI-PMERELPUSA-N 1 1 547.143 4.276 1 0 KIAFMO CCCN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC000071317877 562718374 /nfs/dbraw/zinc/71/83/74/562718374.db2.gz NOQTVEQQFDZAGW-MHZLTWQESA-N 1 1 593.234 4.040 1 0 KIAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N(CCC[NH+]2CCN(C)CC2)C(C)C)c(C)c1C ZINC000071318284 562718457 /nfs/dbraw/zinc/71/84/57/562718457.db2.gz KEVVIQHZTRFNHL-MHZLTWQESA-N 1 1 593.234 4.038 1 0 KIAFMO C[N@@H+](CCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccc3c(c2)OCO3)C1=O)Cc1ccccc1 ZINC000071318339 562718481 /nfs/dbraw/zinc/71/84/81/562718481.db2.gz QWGLVGFXBKPDRG-MXBOTTGLSA-N 1 1 536.632 4.104 1 0 KIAFMO O=C(CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccco1)Cc1ccncc1 ZINC000071318499 562718496 /nfs/dbraw/zinc/71/84/96/562718496.db2.gz YLXAZKZWRUFTSA-UHFFFAOYSA-N 1 1 546.075 4.124 1 0 KIAFMO CCN(Cc1ccncc1Br)C(=O)CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1 ZINC000071318928 562718673 /nfs/dbraw/zinc/71/86/73/562718673.db2.gz MLTPNRWKWZEDMK-UHFFFAOYSA-N 1 1 572.939 4.113 1 0 KIAFMO COc1ccc(C(=O)NC[C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000071329616 562718954 /nfs/dbraw/zinc/71/89/54/562718954.db2.gz CFAHUUHOKKPFNF-RPLLCQBOSA-N 1 1 504.627 4.409 1 0 KIAFMO O=C(Cn1c(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)ccc2nc1-c1ccccc1)NCC1CC1 ZINC000071340359 562719719 /nfs/dbraw/zinc/71/97/19/562719719.db2.gz WPNWZHNGMCZCQT-UHFFFAOYSA-N 1 1 508.622 4.089 1 0 KIAFMO O=C(Cn1c(=O)c2cc(-c3ccccc3C[NH+]3CCOCC3)ccc2nc1-c1ccccc1)NCC1CC1 ZINC000071341076 562719875 /nfs/dbraw/zinc/71/98/75/562719875.db2.gz PDBXGZKXUUZLLD-UHFFFAOYSA-N 1 1 508.622 4.089 1 0 KIAFMO O=C(Cn1c(=O)c2cc(-c3cccc(C[NH+]4CCOCC4)c3)ccc2nc1-c1ccccc1)NCC1CC1 ZINC000071341378 562719920 /nfs/dbraw/zinc/71/99/20/562719920.db2.gz PPTRBBNKBKYITL-UHFFFAOYSA-N 1 1 508.622 4.089 1 0 KIAFMO CCCc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)cn1-c1ccc(Cl)cc1 ZINC000072104678 562720574 /nfs/dbraw/zinc/72/05/74/562720574.db2.gz ZRBOCRUOWHGMAT-QFIPXVFZSA-N 1 1 530.500 4.353 1 0 KIAFMO CCCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)cn1-c1ccc(Cl)cc1 ZINC000072104679 562720557 /nfs/dbraw/zinc/72/05/57/562720557.db2.gz ZRBOCRUOWHGMAT-JOCHJYFZSA-N 1 1 530.500 4.353 1 0 KIAFMO [NH3+][C@@H](CC(=O)N1CCN(C(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072105346 562720837 /nfs/dbraw/zinc/72/08/37/562720837.db2.gz JJWMIBLXKFTPLP-SANMLTNESA-N 1 1 565.501 4.056 1 0 KIAFMO CCCC[C@H](OC(=O)C[NH+](CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1OC ZINC000072105513 562720793 /nfs/dbraw/zinc/72/07/93/562720793.db2.gz QGAQWGFIRYVKAE-AZBDZEDCSA-N 1 1 585.654 4.368 1 0 KIAFMO CCCC[C@@H](OC(=O)C[NH+](CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1OC ZINC000072105514 562720839 /nfs/dbraw/zinc/72/08/39/562720839.db2.gz QGAQWGFIRYVKAE-YEXLONIWSA-N 1 1 585.654 4.368 1 0 KIAFMO Cc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000072105893 562720883 /nfs/dbraw/zinc/72/08/83/562720883.db2.gz NSAGRDCRYQIHSI-JOCHJYFZSA-N 1 1 516.473 4.017 1 0 KIAFMO Cc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000072105894 562720847 /nfs/dbraw/zinc/72/08/47/562720847.db2.gz NSAGRDCRYQIHSI-QFIPXVFZSA-N 1 1 516.473 4.017 1 0 KIAFMO CCCc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1 ZINC000072106087 562720905 /nfs/dbraw/zinc/72/09/05/562720905.db2.gz URUVKEXSWDTNHN-QHCPKHFHSA-N 1 1 510.082 4.008 1 0 KIAFMO CCCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1 ZINC000072106088 562720920 /nfs/dbraw/zinc/72/09/20/562720920.db2.gz URUVKEXSWDTNHN-HSZRJFAPSA-N 1 1 510.082 4.008 1 0 KIAFMO CCCc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072106640 562721067 /nfs/dbraw/zinc/72/10/67/562721067.db2.gz YGAMXKGIVCZBFH-QHCPKHFHSA-N 1 1 540.108 4.017 1 0 KIAFMO CCCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072106641 562721072 /nfs/dbraw/zinc/72/10/72/562721072.db2.gz YGAMXKGIVCZBFH-HSZRJFAPSA-N 1 1 540.108 4.017 1 0 KIAFMO CCCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072108131 562721409 /nfs/dbraw/zinc/72/14/09/562721409.db2.gz IMWUMOQSDBYJLI-MUUNZHRXSA-N 1 1 526.632 4.175 1 0 KIAFMO CCCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072108132 562721418 /nfs/dbraw/zinc/72/14/18/562721418.db2.gz IMWUMOQSDBYJLI-NDEPHWFRSA-N 1 1 526.632 4.175 1 0 KIAFMO CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(C(=O)C[C@H]([NH3+])C(=O)N3Cc4ccccc4C3)CC2)c(C(C)C)c1 ZINC000072108470 562721468 /nfs/dbraw/zinc/72/14/68/562721468.db2.gz SMAMQYPJDPQBMX-NDEPHWFRSA-N 1 1 568.784 4.150 1 0 KIAFMO COCC[N@@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(-c1ccc(OC)nc1)c(=O)n2Cc1c(F)cccc1F ZINC000072108649 562721451 /nfs/dbraw/zinc/72/14/51/562721451.db2.gz IDQKFYZNDFRPKP-UHFFFAOYSA-N 1 1 666.707 4.372 1 0 KIAFMO CCOCCn1c(=O)c2c(C[N@@H+](C)CCOC)c(-c3ccc(NC(=O)NOC)cc3)sc2n(Cc2c(F)cccc2F)c1=O ZINC000072109384 562721601 /nfs/dbraw/zinc/72/16/01/562721601.db2.gz GRKANJRMMDQVRY-UHFFFAOYSA-N 1 1 631.702 4.016 1 0 KIAFMO COc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2NC(=O)Nc2ccccc2OC[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000072120583 562724123 /nfs/dbraw/zinc/72/41/23/562724123.db2.gz GIROKLPOXJKNQU-ROJLCIKYSA-N 1 1 740.902 4.472 1 0 KIAFMO COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2NC(=O)Nc2ccccc2OC[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000072120584 562724115 /nfs/dbraw/zinc/72/41/15/562724115.db2.gz GIROKLPOXJKNQU-ACHIHNKUSA-N 1 1 740.902 4.472 1 0 KIAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@@H]2[C@@]34CC[N@H+]5C)N(C)C ZINC000072122170 562724501 /nfs/dbraw/zinc/72/45/01/562724501.db2.gz XCSVQYRKBHKRNV-JQHWBTPISA-N 1 1 665.831 4.032 1 0 KIAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@@H]2[C@@]34CC[N@@H+]5C)N(C)C ZINC000072122170 562724500 /nfs/dbraw/zinc/72/45/00/562724500.db2.gz XCSVQYRKBHKRNV-JQHWBTPISA-N 1 1 665.831 4.032 1 0 KIAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@H]2[C@@]34CC[N@H+]5C)N(C)C ZINC000072122171 562724511 /nfs/dbraw/zinc/72/45/11/562724511.db2.gz XCSVQYRKBHKRNV-MCAOGJGXSA-N 1 1 665.831 4.032 1 0 KIAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@@H](C=C1)[C@H]2[C@@]34CC[N@@H+]5C)N(C)C ZINC000072122171 562724510 /nfs/dbraw/zinc/72/45/10/562724510.db2.gz XCSVQYRKBHKRNV-MCAOGJGXSA-N 1 1 665.831 4.032 1 0 KIAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@@H]2[C@@]34CC[N@H+]5C)N(C)C ZINC000072122172 562724489 /nfs/dbraw/zinc/72/44/89/562724489.db2.gz XCSVQYRKBHKRNV-KOKFNTSOSA-N 1 1 665.831 4.032 1 0 KIAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@@H]2[C@@]34CC[N@@H+]5C)N(C)C ZINC000072122172 562724488 /nfs/dbraw/zinc/72/44/88/562724488.db2.gz XCSVQYRKBHKRNV-KOKFNTSOSA-N 1 1 665.831 4.032 1 0 KIAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@H]2[C@@]34CC[N@H+]5C)N(C)C ZINC000072122173 562724472 /nfs/dbraw/zinc/72/44/72/562724472.db2.gz XCSVQYRKBHKRNV-FBEWACNMSA-N 1 1 665.831 4.032 1 0 KIAFMO Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5C[C@H](C=C1)[C@H]2[C@@]34CC[N@@H+]5C)N(C)C ZINC000072122173 562724471 /nfs/dbraw/zinc/72/44/71/562724471.db2.gz XCSVQYRKBHKRNV-FBEWACNMSA-N 1 1 665.831 4.032 1 0 KIAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCCCC2)c(C)c1C ZINC000072128651 562726196 /nfs/dbraw/zinc/72/61/96/562726196.db2.gz FLORIMHDFRZCJZ-CONSDPRKSA-N 1 1 657.837 4.380 1 0 KIAFMO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc3c(cc[nH+]c3N)c2)C(=O)N2CCCCC2)c(C)c1C ZINC000072128652 562726221 /nfs/dbraw/zinc/72/62/21/562726221.db2.gz FLORIMHDFRZCJZ-IOWSJCHKSA-N 1 1 657.837 4.380 1 0 KIAFMO O=C(CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1)N(CCCN1CCOCC1)Cc1c(Cl)cncc1Cl ZINC000072131721 562726808 /nfs/dbraw/zinc/72/68/08/562726808.db2.gz AHWHUDJTTAKVFD-UHFFFAOYSA-N 1 1 662.066 4.360 1 0 KIAFMO COc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)C[N@H+]2Cc2cccs2)cc1 ZINC000072134924 562727396 /nfs/dbraw/zinc/72/73/96/562727396.db2.gz SUJIIVQNRQJYEI-KKUQBAQOSA-N 1 1 504.612 4.254 1 0 KIAFMO COc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)C[N@H+]2Cc2cccs2)cc1 ZINC000072134926 562727400 /nfs/dbraw/zinc/72/74/00/562727400.db2.gz SUJIIVQNRQJYEI-JIMJEQGWSA-N 1 1 504.612 4.254 1 0 KIAFMO CC(=O)SCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@H+]5CCOC(C)(C)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135644 562727539 /nfs/dbraw/zinc/72/75/39/562727539.db2.gz SJEMHGNXRQOFMX-WEADCSOTSA-N 1 1 519.748 4.123 1 0 KIAFMO CC(=O)SCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@@H+]5CCOC(C)(C)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135644 562727538 /nfs/dbraw/zinc/72/75/38/562727538.db2.gz SJEMHGNXRQOFMX-WEADCSOTSA-N 1 1 519.748 4.123 1 0 KIAFMO COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000072139493 562728974 /nfs/dbraw/zinc/72/89/74/562728974.db2.gz SLPUZIRKXPFKQK-NXCFDTQHSA-N 1 1 504.612 4.254 1 0 KIAFMO COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000072139493 562728973 /nfs/dbraw/zinc/72/89/73/562728973.db2.gz SLPUZIRKXPFKQK-NXCFDTQHSA-N 1 1 504.612 4.254 1 0 KIAFMO COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000072139495 562728952 /nfs/dbraw/zinc/72/89/52/562728952.db2.gz SLPUZIRKXPFKQK-JIMJEQGWSA-N 1 1 504.612 4.254 1 0 KIAFMO COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000072139495 562728951 /nfs/dbraw/zinc/72/89/51/562728951.db2.gz 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/nfs/dbraw/zinc/73/10/26/562731026.db2.gz PSVBEKARULHSMY-HSZRJFAPSA-N 1 1 551.738 4.397 1 0 KIAFMO COc1cccc(-c2[nH]nc(-c3cccs3)c2CCNS(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072173567 562731025 /nfs/dbraw/zinc/73/10/25/562731025.db2.gz PSVBEKARULHSMY-HSZRJFAPSA-N 1 1 551.738 4.397 1 0 KIAFMO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)NCCc1c(-c2ccccc2)n[nH]c1-c1cccs1 ZINC000072173580 562731041 /nfs/dbraw/zinc/73/10/41/562731041.db2.gz BADDKPFFNHTYKM-HSZRJFAPSA-N 1 1 521.712 4.388 1 0 KIAFMO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCCc1c(-c2ccccc2)n[nH]c1-c1cccs1 ZINC000072173580 562731040 /nfs/dbraw/zinc/73/10/40/562731040.db2.gz BADDKPFFNHTYKM-HSZRJFAPSA-N 1 1 521.712 4.388 1 0 KIAFMO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1ccccc1 ZINC000072173580 562731039 /nfs/dbraw/zinc/73/10/39/562731039.db2.gz BADDKPFFNHTYKM-HSZRJFAPSA-N 1 1 521.712 4.388 1 0 KIAFMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cnccn1 ZINC000072173593 562731048 /nfs/dbraw/zinc/73/10/48/562731048.db2.gz BEGIUPJPMZYKLX-IFMALSPDSA-N 1 1 551.742 4.130 1 0 KIAFMO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cnccn1 ZINC000072173593 562731047 /nfs/dbraw/zinc/73/10/47/562731047.db2.gz BEGIUPJPMZYKLX-IFMALSPDSA-N 1 1 551.742 4.130 1 0 KIAFMO CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072173593 562731046 /nfs/dbraw/zinc/73/10/46/562731046.db2.gz BEGIUPJPMZYKLX-IFMALSPDSA-N 1 1 551.742 4.130 1 0 KIAFMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cnccn1 ZINC000072173594 562731033 /nfs/dbraw/zinc/73/10/33/562731033.db2.gz BEGIUPJPMZYKLX-RBBKRZOGSA-N 1 1 551.742 4.130 1 0 KIAFMO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cnccn1 ZINC000072173594 562731032 /nfs/dbraw/zinc/73/10/32/562731032.db2.gz BEGIUPJPMZYKLX-RBBKRZOGSA-N 1 1 551.742 4.130 1 0 KIAFMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072173594 562731031 /nfs/dbraw/zinc/73/10/31/562731031.db2.gz BEGIUPJPMZYKLX-RBBKRZOGSA-N 1 1 551.742 4.130 1 0 KIAFMO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cccs1 ZINC000072173599 562731054 /nfs/dbraw/zinc/73/10/54/562731054.db2.gz MVDYZGCQVHAMFD-HXUWFJFHSA-N 1 1 527.741 4.450 1 0 KIAFMO CCN([C@@H]1CC[N@H+](C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cnccn1 ZINC000072173628 562731071 /nfs/dbraw/zinc/73/10/71/562731071.db2.gz VDVXMFKOIPDSMU-JOCHJYFZSA-N 1 1 565.769 4.304 1 0 KIAFMO CCN([C@@H]1CC[N@@H+](C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cccs2)n[nH]c1-c1cnccn1 ZINC000072173628 562731070 /nfs/dbraw/zinc/73/10/70/562731070.db2.gz VDVXMFKOIPDSMU-JOCHJYFZSA-N 1 1 565.769 4.304 1 0 KIAFMO CCN([C@@H]1CC[N@H+](C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072173628 562731069 /nfs/dbraw/zinc/73/10/69/562731069.db2.gz VDVXMFKOIPDSMU-JOCHJYFZSA-N 1 1 565.769 4.304 1 0 KIAFMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072174359 562731085 /nfs/dbraw/zinc/73/10/85/562731085.db2.gz XDQSDBOCBATCPK-SIKLNZKXSA-N 1 1 569.732 4.269 1 0 KIAFMO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072174359 562731084 /nfs/dbraw/zinc/73/10/84/562731084.db2.gz XDQSDBOCBATCPK-SIKLNZKXSA-N 1 1 569.732 4.269 1 0 KIAFMO COCC[N@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1 ZINC000072174829 562731179 /nfs/dbraw/zinc/73/11/79/562731179.db2.gz CTOIWJDYNIQZEG-NHCUHLMSSA-N 1 1 541.018 4.322 1 0 KIAFMO COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1 ZINC000072174829 562731178 /nfs/dbraw/zinc/73/11/78/562731178.db2.gz CTOIWJDYNIQZEG-NHCUHLMSSA-N 1 1 541.018 4.322 1 0 KIAFMO CCCC(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175000 562731270 /nfs/dbraw/zinc/73/12/70/562731270.db2.gz RGWWDCCHMHHVSZ-RUZDIDTESA-N 1 1 552.548 4.024 1 0 KIAFMO CCCC(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175001 562731247 /nfs/dbraw/zinc/73/12/47/562731247.db2.gz RGWWDCCHMHHVSZ-VWLOTQADSA-N 1 1 552.548 4.024 1 0 KIAFMO CCCCC(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175288 562731313 /nfs/dbraw/zinc/73/13/13/562731313.db2.gz CPHGYZCKIPSEFC-AREMUKBSSA-N 1 1 566.575 4.414 1 0 KIAFMO CCCCC(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175289 562731297 /nfs/dbraw/zinc/73/12/97/562731297.db2.gz CPHGYZCKIPSEFC-SANMLTNESA-N 1 1 566.575 4.414 1 0 KIAFMO CC(C)(C)C(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175333 562731341 /nfs/dbraw/zinc/73/13/41/562731341.db2.gz RMLIGJXSECLNTE-AREMUKBSSA-N 1 1 566.575 4.270 1 0 KIAFMO CC(C)(C)C(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175334 562731332 /nfs/dbraw/zinc/73/13/32/562731332.db2.gz RMLIGJXSECLNTE-SANMLTNESA-N 1 1 566.575 4.270 1 0 KIAFMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072179034 562732233 /nfs/dbraw/zinc/73/22/33/562732233.db2.gz KBMUERZJSPYVEJ-UHFFFAOYSA-N 1 1 504.635 4.209 1 0 KIAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)C[NH+]4CCCC4)cc23)n[nH]1 ZINC000072180999 562732651 /nfs/dbraw/zinc/73/26/51/562732651.db2.gz QFOMGFNHXREHSV-UHFFFAOYSA-N 1 1 531.646 4.038 1 0 KIAFMO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+][C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072186059 562732959 /nfs/dbraw/zinc/73/29/59/562732959.db2.gz MMFQFGGJNHEHFF-QFIPXVFZSA-N 1 1 512.504 4.306 1 0 KIAFMO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+][C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072186060 562732994 /nfs/dbraw/zinc/73/29/94/562732994.db2.gz MMFQFGGJNHEHFF-JOCHJYFZSA-N 1 1 512.504 4.306 1 0 KIAFMO COc1ccc(CN(CC[N@@H+](C)C[C@H](C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1 ZINC000073140944 562733661 /nfs/dbraw/zinc/73/36/61/562733661.db2.gz YMLNOWNONRZEDQ-VWLOTQADSA-N 1 1 569.754 4.398 1 0 KIAFMO COc1ccc(CN(CC[N@@H+](C)C[C@@H](C)Nc2ccc3[nH]c(C(=O)N4CCN(C)CC4)cc3c2)c2ccccn2)cc1 ZINC000073140947 562733633 /nfs/dbraw/zinc/73/36/33/562733633.db2.gz YMLNOWNONRZEDQ-RUZDIDTESA-N 1 1 569.754 4.398 1 0 KIAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2c(Cl)cccc2Cl)CC1 ZINC000073142197 562733740 /nfs/dbraw/zinc/73/37/40/562733740.db2.gz BBWWFAZQLCTCPJ-HSZRJFAPSA-N 1 1 543.451 4.270 1 0 KIAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cc(Br)cnc2Oc2ccc(Cl)cc2)CC1 ZINC000073156299 562733811 /nfs/dbraw/zinc/73/38/11/562733811.db2.gz AQULARYXMWMRLY-XMMPIXPASA-N 1 1 587.902 4.379 1 0 KIAFMO CC[C@H]1CN(c2nc(N)c(C(=O)NCC(F)(F)F)nc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000073156735 562733852 /nfs/dbraw/zinc/73/38/52/562733852.db2.gz DYIXAZRMYDXDKM-SFHVURJKSA-N 1 1 574.479 4.223 1 0 KIAFMO CC[C@H]1CN(c2nc(N)c(C(=O)NCC(F)(F)F)nc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000073156735 562733851 /nfs/dbraw/zinc/73/38/51/562733851.db2.gz DYIXAZRMYDXDKM-SFHVURJKSA-N 1 1 574.479 4.223 1 0 KIAFMO CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(C)CC)cc2)[NH+]2CCN(Cc3[nH]cnc3C)CC2)c1 ZINC000073164535 562734335 /nfs/dbraw/zinc/73/43/35/562734335.db2.gz ZLMMTVJZWSOPAL-HHHXNRCGSA-N 1 1 518.662 4.286 1 0 KIAFMO CCN(C)C(=O)c1ccc([C@H](c2cccc(NC(=O)OC)c2)[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000073164543 562734346 /nfs/dbraw/zinc/73/43/46/562734346.db2.gz RKZCJFSJVDANFF-RUZDIDTESA-N 1 1 507.660 4.321 1 0 KIAFMO CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N3CCC3)cc2)[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC000073164545 562734338 /nfs/dbraw/zinc/73/43/38/562734338.db2.gz XSFBTECQJYZXLG-MUUNZHRXSA-N 1 1 513.642 4.403 1 0 KIAFMO CS(=O)(=O)Nc1ccc(Oc2ccc(C[NH+]3CCC(N(C(=O)Nc4ccc(C(N)=O)nc4)c4ccccc4)CC3)cn2)cc1 ZINC000073164612 562734362 /nfs/dbraw/zinc/73/43/62/562734362.db2.gz QLMXRTDDSGFRPE-UHFFFAOYSA-N 1 1 615.716 4.442 1 0 KIAFMO C[NH+]1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)cc2F)CC1 ZINC000073164786 562734318 /nfs/dbraw/zinc/73/43/18/562734318.db2.gz DYDMXIWYULAKCW-UHFFFAOYSA-N 1 1 537.665 4.108 1 0 KIAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccncc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000073165660 562734449 /nfs/dbraw/zinc/73/44/49/562734449.db2.gz RIMDJKXHMLJROO-JOCHJYFZSA-N 1 1 577.991 4.030 1 0 KIAFMO C[NH+]1CCN(C(=O)[C@@H](COCC(C)(C)C)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000073167641 562734638 /nfs/dbraw/zinc/73/46/38/562734638.db2.gz XBXQAGKJALZGRX-HXUWFJFHSA-N 1 1 557.013 4.481 1 0 KIAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cc(F)cnc2Oc2ccc(Cl)cc2Cl)CC1 ZINC000073168757 562734738 /nfs/dbraw/zinc/73/47/38/562734738.db2.gz YYFYVPVJVJMRQP-HSZRJFAPSA-N 1 1 561.441 4.409 1 0 KIAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 ZINC000073168760 562734786 /nfs/dbraw/zinc/73/47/86/562734786.db2.gz RKYWWELMPHAGKM-HSZRJFAPSA-N 1 1 543.451 4.270 1 0 KIAFMO CN(CCO)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000073196814 562735231 /nfs/dbraw/zinc/73/52/31/562735231.db2.gz PSKBLTTURNPFTI-SSEXGKCCSA-N 1 1 544.671 4.146 1 0 KIAFMO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)N2CCC(C(C)=O)CC2)CC1 ZINC000073275584 562737249 /nfs/dbraw/zinc/73/72/49/562737249.db2.gz KIBDJJXRHBWQSZ-HKBQPEDESA-N 1 1 567.796 4.378 1 0 KIAFMO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)N2CCC(C(C)=O)CC2)CC1 ZINC000073275587 562737279 /nfs/dbraw/zinc/73/72/79/562737279.db2.gz KIBDJJXRHBWQSZ-WJOKGBTCSA-N 1 1 567.796 4.378 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000073280130 562737393 /nfs/dbraw/zinc/73/73/93/562737393.db2.gz CUGBMLDXYRWSMY-XJGOYTCSSA-N 1 1 567.708 4.203 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000073280130 562737392 /nfs/dbraw/zinc/73/73/92/562737392.db2.gz CUGBMLDXYRWSMY-XJGOYTCSSA-N 1 1 567.708 4.203 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000073312239 562737933 /nfs/dbraw/zinc/73/79/33/562737933.db2.gz CUGBMLDXYRWSMY-PFPZSTESSA-N 1 1 567.708 4.203 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000073312239 562737932 /nfs/dbraw/zinc/73/79/32/562737932.db2.gz CUGBMLDXYRWSMY-PFPZSTESSA-N 1 1 567.708 4.203 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000073332024 562738143 /nfs/dbraw/zinc/73/81/43/562738143.db2.gz CUGBMLDXYRWSMY-RXYILKCJSA-N 1 1 567.708 4.203 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000073332024 562738142 /nfs/dbraw/zinc/73/81/42/562738142.db2.gz CUGBMLDXYRWSMY-RXYILKCJSA-N 1 1 567.708 4.203 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000073370495 562738417 /nfs/dbraw/zinc/73/84/17/562738417.db2.gz CUGBMLDXYRWSMY-VPYPWEPUSA-N 1 1 567.708 4.203 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000073370495 562738416 /nfs/dbraw/zinc/73/84/16/562738416.db2.gz CUGBMLDXYRWSMY-VPYPWEPUSA-N 1 1 567.708 4.203 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3ccccc3F)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000073417454 562738760 /nfs/dbraw/zinc/73/87/60/562738760.db2.gz JRBQYUOXPRFHDP-VOESYKHASA-N 1 1 507.514 4.043 1 0 KIAFMO C[NH+]1CCN(C(=O)[C@@H](COCc2ccc3c(c2)OCCO3)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000082138000 562739101 /nfs/dbraw/zinc/73/91/01/562739101.db2.gz VOUTUZMXSRIFMF-HSZRJFAPSA-N 1 1 635.039 4.407 1 0 KIAFMO Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ncc1C[NH+]1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1 ZINC000082138104 562739179 /nfs/dbraw/zinc/73/91/79/562739179.db2.gz ILULJODARZKKCY-UHFFFAOYSA-N 1 1 648.721 4.285 1 0 KIAFMO CC(C)[N@@H+](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 562739360 /nfs/dbraw/zinc/73/93/60/562739360.db2.gz OTVGKTJOMMZKIN-MRCUYLHHSA-N 1 1 651.752 4.140 1 0 KIAFMO C[N@H+]1CCC[C@@H]1CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000082140207 562739354 /nfs/dbraw/zinc/73/93/54/562739354.db2.gz BDUVFTBZOLFDIP-SHQCIBLASA-N 1 1 685.480 4.313 1 0 KIAFMO C[N@H+]1CCC[C@H]1CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000082140210 562739368 /nfs/dbraw/zinc/73/93/68/562739368.db2.gz BDUVFTBZOLFDIP-RPLLCQBOSA-N 1 1 685.480 4.313 1 0 KIAFMO C[N@H+]1CCC[C@@H]1CCN(CC(N)=O)C(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1ccc(Cl)cc1Cl ZINC000082140690 562739559 /nfs/dbraw/zinc/73/95/59/562739559.db2.gz YBCKOENWTNBNHC-SHQCIBLASA-N 1 1 685.480 4.313 1 0 KIAFMO C[N@H+]1CCC[C@H]1CCN(CC(N)=O)C(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1ccc(Cl)cc1Cl ZINC000082140693 562739535 /nfs/dbraw/zinc/73/95/35/562739535.db2.gz YBCKOENWTNBNHC-RPLLCQBOSA-N 1 1 685.480 4.313 1 0 KIAFMO COc1ccccc1COCCCOc1ncc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CC[NH2+]CC(F)F)ccc2Cl)C2CC2)cn1 ZINC000082140798 562739584 /nfs/dbraw/zinc/73/95/84/562739584.db2.gz GNHSWZSHPHNEKP-GDLZYMKVSA-N 1 1 687.188 4.018 1 0 KIAFMO C[NH+]1CCN(N=c2nc(NCCc3ccc(Cl)cc3)[nH]c(NCCc3ccc(Cl)cc3)n2)CC1 ZINC000082153536 562740233 /nfs/dbraw/zinc/74/02/33/562740233.db2.gz TUPSHHMLVFMEEO-UHFFFAOYSA-N 1 1 501.466 4.062 1 0 KIAFMO CN1CCN(Nc2nc(NCCc3ccc(Cl)cc3)nc(NCCc3ccc(Cl)cc3)[nH+]2)CC1 ZINC000082153536 562740231 /nfs/dbraw/zinc/74/02/31/562740231.db2.gz TUPSHHMLVFMEEO-UHFFFAOYSA-N 1 1 501.466 4.062 1 0 KIAFMO CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccc(C(=O)N4CC[NH+](C)CC4)cc3Cl)sc1-2 ZINC000082155288 562740548 /nfs/dbraw/zinc/74/05/48/562740548.db2.gz TVUWQOATJJJPPP-UHFFFAOYSA-N 1 1 553.084 4.027 1 0 in-vitro KIAFMO Nc1cc(Cn2c3ccc(Cl)cc3c(-c3ccc[nH]c3=O)c2C2=NS(=O)(=O)c3ccccc3N2)cc[nH+]1 ZINC000082158327 562741081 /nfs/dbraw/zinc/74/10/81/562741081.db2.gz HPEAAEWZDCABFY-UHFFFAOYSA-N 1 1 530.997 4.237 1 0 KIAFMO Cc1c(C)c(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)c(C)c(C)c1C[NH3+] ZINC000084324225 562742837 /nfs/dbraw/zinc/74/28/37/562742837.db2.gz WQVNIMGPTXTIGL-JDXGNMNLSA-N 1 1 512.698 4.146 1 0 KIAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3ccccc3Cl)CC2)c2ccccc21 ZINC000084462231 562743109 /nfs/dbraw/zinc/74/31/09/562743109.db2.gz KBULHCWLNOPYFW-HHHXNRCGSA-N 1 1 568.139 4.355 1 0 KIAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3ccccc3Cl)CC2)c2ccccc21 ZINC000084462232 562743084 /nfs/dbraw/zinc/74/30/84/562743084.db2.gz KBULHCWLNOPYFW-MHZLTWQESA-N 1 1 568.139 4.355 1 0 KIAFMO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(C(=O)c3ccccc3)CC[NH2+]2)c1 ZINC000084466404 562743249 /nfs/dbraw/zinc/74/32/49/562743249.db2.gz ZJLWDMHHAMNWRK-QAXCHELISA-N 1 1 620.741 4.352 1 0 in-vitro KIAFMO O=C(c1ccccn1)N1CC[NH+](CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000084534304 562743236 /nfs/dbraw/zinc/74/32/36/562743236.db2.gz UEKRYBQQGQXNOW-UHFFFAOYSA-N 1 1 509.589 4.344 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccnc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084586686 562743394 /nfs/dbraw/zinc/74/33/94/562743394.db2.gz PSRQKGSEEYKFMK-IBGZPJMESA-N 1 1 556.700 4.045 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccnc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084586686 562743393 /nfs/dbraw/zinc/74/33/93/562743393.db2.gz PSRQKGSEEYKFMK-IBGZPJMESA-N 1 1 556.700 4.045 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccnc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084586689 562743435 /nfs/dbraw/zinc/74/34/35/562743435.db2.gz PSRQKGSEEYKFMK-LJQANCHMSA-N 1 1 556.700 4.045 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccnc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084586689 562743434 /nfs/dbraw/zinc/74/34/34/562743434.db2.gz PSRQKGSEEYKFMK-LJQANCHMSA-N 1 1 556.700 4.045 1 0 KIAFMO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCN(Cc3ccccc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084596040 562743656 /nfs/dbraw/zinc/74/36/56/562743656.db2.gz LMUVEBQDMVQESZ-UHFFFAOYSA-N 1 1 511.110 4.448 1 0 KIAFMO CN1CC[NH+](Cc2ccc(Nc3ncc(Cl)c(-c4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084596663 562743795 /nfs/dbraw/zinc/74/37/95/562743795.db2.gz RJDWEZHVKJPGPL-UHFFFAOYSA-N 1 1 545.084 4.212 1 0 KIAFMO Cc1nc(N2CCC([NH+]3CCOCC3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084596681 562743750 /nfs/dbraw/zinc/74/37/50/562743750.db2.gz FXOJSGMTYREKGV-UHFFFAOYSA-N 1 1 545.562 4.155 1 0 KIAFMO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](N)[C@@H]2CCc3ccccc32)CC1 ZINC000084598221 562743963 /nfs/dbraw/zinc/74/39/63/562743963.db2.gz LPXCUBHJKBBROC-XFGMUACXSA-N 1 1 643.276 4.176 1 0 KIAFMO COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c([C@@H]([NH3+])CO)o2)c2ccc(C(F)(F)F)nc12 ZINC000084603383 562744131 /nfs/dbraw/zinc/74/41/31/562744131.db2.gz ZNWQASHHYSCVCX-INIZCTEOSA-N 1 1 520.895 4.493 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccccn4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084603731 562744198 /nfs/dbraw/zinc/74/41/98/562744198.db2.gz SLNKOWIAWCBJGZ-SFHVURJKSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccccn4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084603731 562744197 /nfs/dbraw/zinc/74/41/97/562744197.db2.gz SLNKOWIAWCBJGZ-SFHVURJKSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccccn4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084603733 562744209 /nfs/dbraw/zinc/74/42/09/562744209.db2.gz SLNKOWIAWCBJGZ-GOSISDBHSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccccn4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084603733 562744208 /nfs/dbraw/zinc/74/42/08/562744208.db2.gz SLNKOWIAWCBJGZ-GOSISDBHSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084615920 562744518 /nfs/dbraw/zinc/74/45/18/562744518.db2.gz JISRCHCXKMPPJP-SFHVURJKSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084615920 562744517 /nfs/dbraw/zinc/74/45/17/562744517.db2.gz JISRCHCXKMPPJP-SFHVURJKSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084615923 562744508 /nfs/dbraw/zinc/74/45/08/562744508.db2.gz JISRCHCXKMPPJP-GOSISDBHSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084615923 562744507 /nfs/dbraw/zinc/74/45/07/562744507.db2.gz JISRCHCXKMPPJP-GOSISDBHSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084615925 562744504 /nfs/dbraw/zinc/74/45/04/562744504.db2.gz RIQJIFBZCJKJLX-SFHVURJKSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084615925 562744503 /nfs/dbraw/zinc/74/45/03/562744503.db2.gz RIQJIFBZCJKJLX-SFHVURJKSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084615927 562744544 /nfs/dbraw/zinc/74/45/44/562744544.db2.gz RIQJIFBZCJKJLX-GOSISDBHSA-N 1 1 542.673 4.367 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084615927 562744543 /nfs/dbraw/zinc/74/45/43/562744543.db2.gz RIQJIFBZCJKJLX-GOSISDBHSA-N 1 1 542.673 4.367 1 0 KIAFMO CCC[C@H](O)[C@H](C[N@@H+](C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000084616321 562744600 /nfs/dbraw/zinc/74/46/00/562744600.db2.gz BVWJBXPYCNRVLJ-UIOOFZCWSA-N 1 1 593.691 4.360 1 0 KIAFMO Cc1c(NCC[NH+]2CCCC2)cc(COCC(F)(F)F)cc1N1CCN(c2[nH+]cnc3[n-]nc(Br)c32)CC1 ZINC000084616378 562744625 /nfs/dbraw/zinc/74/46/25/562744625.db2.gz YJOVRFFTOQUZOT-UHFFFAOYSA-N 1 1 597.484 4.337 1 0 KIAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OC(F)(F)O4)N12 ZINC000084617043 562744791 /nfs/dbraw/zinc/74/47/91/562744791.db2.gz ADULNWJZMJDOOW-WIISGGPLSA-N 1 1 570.596 4.449 1 0 KIAFMO CC(=O)N1CCC(C(=O)N(CCC[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084617201 562744803 /nfs/dbraw/zinc/74/48/03/562744803.db2.gz ZXHIXJACLZSAGT-UHFFFAOYSA-N 1 1 546.543 4.496 1 0 KIAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4nsnc4c3)N12 ZINC000084617506 562744915 /nfs/dbraw/zinc/74/49/15/562744915.db2.gz AVUKARMFMSCVHB-AQEANLGOSA-N 1 1 548.672 4.132 1 0 KIAFMO CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)ncc1C(F)(F)F ZINC000084618191 562745071 /nfs/dbraw/zinc/74/50/71/562745071.db2.gz QGBJUFFSIXSITO-UHFFFAOYSA-N 1 1 513.568 4.432 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccncc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632182 562745509 /nfs/dbraw/zinc/74/55/09/562745509.db2.gz VJOYYECZKLYWBV-IBGZPJMESA-N 1 1 556.700 4.045 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccncc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632182 562745508 /nfs/dbraw/zinc/74/55/08/562745508.db2.gz VJOYYECZKLYWBV-IBGZPJMESA-N 1 1 556.700 4.045 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccncc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632185 562745475 /nfs/dbraw/zinc/74/54/75/562745475.db2.gz VJOYYECZKLYWBV-LJQANCHMSA-N 1 1 556.700 4.045 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccncc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632185 562745474 /nfs/dbraw/zinc/74/54/74/562745474.db2.gz VJOYYECZKLYWBV-LJQANCHMSA-N 1 1 556.700 4.045 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632192 562745480 /nfs/dbraw/zinc/74/54/80/562745480.db2.gz WTSZLPJRFYTKQX-SFHVURJKSA-N 1 1 545.673 4.243 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632192 562745479 /nfs/dbraw/zinc/74/54/79/562745479.db2.gz WTSZLPJRFYTKQX-SFHVURJKSA-N 1 1 545.673 4.243 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632194 562745486 /nfs/dbraw/zinc/74/54/86/562745486.db2.gz WTSZLPJRFYTKQX-GOSISDBHSA-N 1 1 545.673 4.243 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632194 562745485 /nfs/dbraw/zinc/74/54/85/562745485.db2.gz WTSZLPJRFYTKQX-GOSISDBHSA-N 1 1 545.673 4.243 1 0 KIAFMO Cc1c(NCC[NH+]2CCCC2)cc(OCC(C)C)cc1N1CCN(c2[nH+]cnc3[n-]nc(Br)c32)CC1 ZINC000084632482 562745520 /nfs/dbraw/zinc/74/55/20/562745520.db2.gz VWBUFACHINJXSO-UHFFFAOYSA-N 1 1 557.541 4.293 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4nccs4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632799 562745625 /nfs/dbraw/zinc/74/56/25/562745625.db2.gz YVTUFHUULMAJPN-INIZCTEOSA-N 1 1 548.702 4.428 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4nccs4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632799 562745624 /nfs/dbraw/zinc/74/56/24/562745624.db2.gz YVTUFHUULMAJPN-INIZCTEOSA-N 1 1 548.702 4.428 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4nccs4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632802 562745639 /nfs/dbraw/zinc/74/56/39/562745639.db2.gz YVTUFHUULMAJPN-MRXNPFEDSA-N 1 1 548.702 4.428 1 0 KIAFMO Cc1cn2c(-c3cnn(CC(=O)Nc4nccs4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632802 562745638 /nfs/dbraw/zinc/74/56/38/562745638.db2.gz YVTUFHUULMAJPN-MRXNPFEDSA-N 1 1 548.702 4.428 1 0 KIAFMO O=C1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)nc3)N12 ZINC000084633947 562745833 /nfs/dbraw/zinc/74/58/33/562745833.db2.gz YYSFJRUNPCMSLB-PRNYMFJNSA-N 1 1 526.040 4.176 1 0 KIAFMO CN1CC[NH+](Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1 ZINC000084633967 562745796 /nfs/dbraw/zinc/74/57/96/562745796.db2.gz UZBAAHPJEABJQF-UHFFFAOYSA-N 1 1 560.099 4.288 1 0 KIAFMO CN(c1ccc(F)cc1S(=O)(=O)N1CCCC1)c1nc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)ncc1Cl ZINC000084634135 562745839 /nfs/dbraw/zinc/74/58/39/562745839.db2.gz LCPBTKFYDZMFAL-UHFFFAOYSA-N 1 1 574.126 4.313 1 0 KIAFMO O=C(Cc1cnc[nH]1)N1CC[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084634507 562745926 /nfs/dbraw/zinc/74/59/26/562745926.db2.gz KLPVZJKUPNMUTE-MHZLTWQESA-N 1 1 513.573 4.235 1 0 KIAFMO O=C(Cc1cnc[nH]1)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084634507 562745925 /nfs/dbraw/zinc/74/59/25/562745925.db2.gz KLPVZJKUPNMUTE-MHZLTWQESA-N 1 1 513.573 4.235 1 0 KIAFMO O=C1CN([C@@H]2CC[N@@H+](CC3CCCCC3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084635155 562746121 /nfs/dbraw/zinc/74/61/21/562746121.db2.gz IOHNZWLAZVXYKA-PCFFTZKOSA-N 1 1 540.664 4.236 1 0 KIAFMO COc1cc2c(cc1-c1c(C)noc1C)ncc(C(N)=O)c2Nc1ccccc1CC[NH+]1CCOCC1 ZINC000084635918 562746299 /nfs/dbraw/zinc/74/62/99/562746299.db2.gz ZMSXXNUUWMPXGF-UHFFFAOYSA-N 1 1 501.587 4.232 1 0 KIAFMO Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4ccccc4)cc3)[nH]n2)cc(N2CC[NH+](C)CC2)n1 ZINC000084652060 562746342 /nfs/dbraw/zinc/74/63/42/562746342.db2.gz HRNJXVNMZJIOTD-UHFFFAOYSA-N 1 1 512.618 4.097 1 0 KIAFMO COc1cc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ccc1Nc1nc2nc[nH]c2c(NC2CCCCC2)n1 ZINC000084653853 562747002 /nfs/dbraw/zinc/74/70/02/562747002.db2.gz ZBPLIYROBQPFCH-UHFFFAOYSA-N 1 1 561.735 4.230 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2CC(C)C)c1OC ZINC000084668989 562747833 /nfs/dbraw/zinc/74/78/33/562747833.db2.gz ZISYTWICFLBNJQ-JJNABOQBSA-N 1 1 500.603 4.226 1 0 in-vitro KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2CC(C)C)c1OC ZINC000084668990 562747835 /nfs/dbraw/zinc/74/78/35/562747835.db2.gz ZISYTWICFLBNJQ-ZUTVHTERSA-N 1 1 500.603 4.226 1 0 in-vitro KIAFMO CCN(CC)CC(=O)Nc1cc2c3cc(NC(=O)C[NH+](CC)CC)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084671280 562748522 /nfs/dbraw/zinc/74/85/22/562748522.db2.gz NGFCKBCDEMOLQU-UHFFFAOYSA-N 1 1 555.687 4.253 1 0 KIAFMO COC(=O)CCc1nccc2sc(-c3c(C)[nH+]c(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc21 ZINC000084672364 562748773 /nfs/dbraw/zinc/74/87/73/562748773.db2.gz BIEZQKGUJLTKLO-DNSUTSEPSA-N 1 1 662.691 4.149 1 0 KIAFMO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)c1ccc2cc(F)ccc2c1 ZINC000084687764 562748980 /nfs/dbraw/zinc/74/89/80/562748980.db2.gz WUHZDRRKSFZNJA-PTSROERVSA-N 1 1 514.597 4.047 1 0 KIAFMO Cc1nccc2sc(-c3c(C)[nH+]c(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc21 ZINC000084687847 562749026 /nfs/dbraw/zinc/74/90/26/562749026.db2.gz JMUOMODTPXNZTQ-NXUXMXFSSA-N 1 1 590.628 4.351 1 0 KIAFMO CNC(=O)c1cc(Nc2ncc(F)c(N(C)c3ccc4c(C)[nH]nc4c3)n2)ccc1OCC1CC[NH2+]CC1 ZINC000084688278 562749146 /nfs/dbraw/zinc/74/91/46/562749146.db2.gz FOAUCHYYIKEJEM-UHFFFAOYSA-N 1 1 518.597 4.050 1 0 KIAFMO Cc1[nH+]c(N[C@H](C)c2ccccc2OC(F)(F)F)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1 ZINC000084689879 562749437 /nfs/dbraw/zinc/74/94/37/562749437.db2.gz XRSFJUZQSICAON-BWZKTMNKSA-N 1 1 576.601 4.043 1 0 KIAFMO Cc1[nH+]c(N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2cnccc2s1 ZINC000084689880 562749430 /nfs/dbraw/zinc/74/94/30/562749430.db2.gz RZPJYNHZAFFDSY-QUMCAZGJSA-N 1 1 576.601 4.043 1 0 KIAFMO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N3CC[NH+](C)CC3)oc2c1 ZINC000084690177 562749525 /nfs/dbraw/zinc/74/95/25/562749525.db2.gz OCHINVHFVKJXGW-WUFINQPMSA-N 1 1 620.776 4.033 1 0 KIAFMO COc1ccc(C[C@@H]2c3ccccc3C=NN2C(=O)/C=C/c2cc(Cc3c[nH+]c(N)nc3N)cc(OC)c2OC)cc1 ZINC000084706835 562750056 /nfs/dbraw/zinc/75/00/56/562750056.db2.gz YPPPJDIZMTVBDP-QDBZKISHSA-N 1 1 564.646 4.431 1 0 KIAFMO COc1ccc(C[C@H]2c3ccccc3C=NN2C(=O)/C=C/c2cc(Cc3c[nH+]c(N)nc3N)cc(OC)c2OC)cc1 ZINC000084706838 562750058 /nfs/dbraw/zinc/75/00/58/562750058.db2.gz YPPPJDIZMTVBDP-KYGIIIMWSA-N 1 1 564.646 4.431 1 0 KIAFMO CCC[N@@H+](CCCOc1ccc(Br)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706918 562750028 /nfs/dbraw/zinc/75/00/28/562750028.db2.gz YNRKSOHRAVRHMB-HSZRJFAPSA-N 1 1 509.395 4.388 1 0 KIAFMO CCC[N@@H+](CCCOc1ccc(Br)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000084706920 562750008 /nfs/dbraw/zinc/75/00/08/562750008.db2.gz YNRKSOHRAVRHMB-QHCPKHFHSA-N 1 1 509.395 4.388 1 0 KIAFMO Cc1cc2sc(-c3c(C)[nH+]c(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc2cn1 ZINC000084707433 562750084 /nfs/dbraw/zinc/75/00/84/562750084.db2.gz UDGBUFUQOMBCHC-JNXLBDECSA-N 1 1 590.628 4.351 1 0 KIAFMO Cc1nc2ccc(C[C@@H](NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2[nH]1 ZINC000084707465 562750148 /nfs/dbraw/zinc/75/01/48/562750148.db2.gz UWIDYEIOJDREEC-JGCGQSQUSA-N 1 1 626.806 4.481 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2ccc(F)cc2)c1OC ZINC000084708559 562750212 /nfs/dbraw/zinc/75/02/12/562750212.db2.gz CAJGDIXZEVXQBJ-VSOVPVGVSA-N 1 1 538.583 4.367 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2ccc(F)cc2)c1OC ZINC000084708564 562750227 /nfs/dbraw/zinc/75/02/27/562750227.db2.gz CAJGDIXZEVXQBJ-JRWCXLMHSA-N 1 1 538.583 4.367 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2Cc2ccccc2)c1OC ZINC000084709151 562750290 /nfs/dbraw/zinc/75/02/90/562750290.db2.gz XJTVNAYSGVYGPA-WUZNFDRSSA-N 1 1 534.620 4.422 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2Cc2ccccc2)c1OC ZINC000084709153 562750245 /nfs/dbraw/zinc/75/02/45/562750245.db2.gz XJTVNAYSGVYGPA-JYSHFMIGSA-N 1 1 534.620 4.422 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2cccc(F)c2)c1OC ZINC000084729369 562751512 /nfs/dbraw/zinc/75/15/12/562751512.db2.gz HXJIWRHMRSGNHW-JZILDOMLSA-N 1 1 538.583 4.367 1 0 KIAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2cccc(F)c2)c1OC ZINC000084729373 562751561 /nfs/dbraw/zinc/75/15/61/562751561.db2.gz HXJIWRHMRSGNHW-GHUXWVSLSA-N 1 1 538.583 4.367 1 0 KIAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000084732846 562751844 /nfs/dbraw/zinc/75/18/44/562751844.db2.gz VZCUNBALUOBEHK-YADHBBJMSA-N 1 1 542.105 4.330 1 0 KIAFMO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CCC[N@@H+](C)CC5)cc4OC)ncc3CN(C)C2=O)c1 ZINC000084756788 562752302 /nfs/dbraw/zinc/75/23/02/562752302.db2.gz VQXJJEGSNGGQJK-UHFFFAOYSA-N 1 1 542.644 4.199 1 0 KIAFMO O=C(Nc1nnc(Sc2ncnc3cc(OCCC[NH+]4CCOCC4)ccc32)s1)Nc1ccccc1 ZINC000084757128 562752412 /nfs/dbraw/zinc/75/24/12/562752412.db2.gz JCEBDBSTIUCRFD-UHFFFAOYSA-N 1 1 523.644 4.378 1 0 KIAFMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1c1ccccc1 ZINC000085487118 565122924 /nfs/dbraw/zinc/12/29/24/565122924.db2.gz WQGSMNQYDWWZGF-BQQZPMKPSA-N 1 1 699.852 4.283 1 0 biogenic,in-vitro KIAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@H+]4[C@H]3C[C@H]3CCC4=CC[C@@H](C)C[C@H]4[C@@]35O)[C@H]2[C@@H]1C ZINC000085532203 560073000 /nfs/dbraw/zinc/07/30/00/560073000.db2.gz OLUFJPISTHUDCW-JXBQPVGPSA-N 1 1 547.692 4.493 1 0 biogenic,in-vitro KIAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@H+]4[C@H]3CC[C@]5(O)[C@H]3C=CC[C@@H](C)C3)[C@H]2[C@@H]1C ZINC000085532317 560072992 /nfs/dbraw/zinc/07/29/92/560072992.db2.gz LOFDHDWMJRXCGI-WTPKXBJHSA-N 1 1 521.654 4.103 1 0 biogenic,in-vitro KIAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CCCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532361 560073018 /nfs/dbraw/zinc/07/30/18/560073018.db2.gz HSYVNVFRGVNUST-BQVNSTKJSA-N 1 1 567.723 4.069 1 0 biogenic,in-vitro KIAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CC4CCCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532383 560072715 /nfs/dbraw/zinc/07/27/15/560072715.db2.gz XDFSNTGVLCFDIU-KSPQIXATSA-N 1 1 579.734 4.213 1 0 biogenic,in-vitro KIAFMO CC[C@H](O)[C@@H]1[C@@H]2CC[C@@H](c3ccccc3)[C@@H]2C[C@H]2[C@@H]3C(=CCC[N@H+]21)O/C(=C1/OC(=O)C(CO)=C1OC)[C@H]3C ZINC000085532411 560072822 /nfs/dbraw/zinc/07/28/22/560072822.db2.gz MZLYJBCYDMBRJK-PQTWXKPVSA-N 1 1 521.654 4.242 1 0 biogenic,in-vitro KIAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](CO)[C@@H]4[C@@H]3C2)c1 ZINC000085532427 560072830 /nfs/dbraw/zinc/07/28/30/560072830.db2.gz NLNOPPFLYVBDIB-UNVFGNPLSA-N 1 1 581.750 4.386 1 0 biogenic,in-vitro KIAFMO CNC[C@@H]1CC[C@@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCC[C@H](C)O)C[C@H]5[C@@H]2[NH2+]1)[C@@]1(O)C[C@H]2C=C[C@@H]([C@@H]4O)[C@](C)(C2)C1 ZINC000085547406 560072384 /nfs/dbraw/zinc/07/23/84/560072384.db2.gz GVEFDHHXGVJQAU-ZRKUYDFTSA-N 1 1 512.779 4.014 1 0 biogenic,in-vitro KIAFMO CC[NH2+][C@H](CCc1ccnc(N)c1)COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O ZINC000085596622 560063318 /nfs/dbraw/zinc/06/33/18/560063318.db2.gz XVTPNPRDLWFRHF-AQCTUAEDSA-N 1 1 581.710 4.296 1 0 biogenic,in-vitro KIAFMO CNC(=[NH2+])N[C@@](CCCC(=O)C=C(O)CCc1ccc(O)c(OC2CCCC2)c1)(CCn1ccnc1)Cc1ccc(O)cc1 ZINC000085626973 565160323 /nfs/dbraw/zinc/16/03/23/565160323.db2.gz CLRYECHVUDCREQ-UMSFTDKQSA-O 1 1 604.772 4.482 1 0 biogenic,in-vitro KIAFMO [NH2+]=C(N[C@H](CCCC(O)=CC(=O)CCc1ccc(O)c(OC2CCCC2)c1)CCn1ccnc1)NC1CCCC1 ZINC000085627010 560068937 /nfs/dbraw/zinc/06/89/37/560068937.db2.gz PYGZNOXKBBWNLE-RUZDIDTESA-O 1 1 552.740 4.476 1 0 biogenic,in-vitro KIAFMO O=C(NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095539989 562755447 /nfs/dbraw/zinc/75/54/47/562755447.db2.gz JXZAFCOUVYXIBI-KKYULSIISA-N 1 1 704.916 4.194 1 0 KIAFMO O[C@@H](Cn1cnc2c1ncnc2NCc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095540338 562755657 /nfs/dbraw/zinc/75/56/57/562755657.db2.gz SPZQTVRWUVXKKX-MUUNZHRXSA-N 1 1 533.680 4.207 1 0 KIAFMO O[C@H](Cn1cnc2c1ncnc2NCc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095540339 562755670 /nfs/dbraw/zinc/75/56/70/562755670.db2.gz SPZQTVRWUVXKKX-NDEPHWFRSA-N 1 1 533.680 4.207 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 ZINC000095542037 562756488 /nfs/dbraw/zinc/75/64/88/562756488.db2.gz MAKYOOVQPAYWLK-CTFQGTJTSA-N 1 1 771.960 4.125 1 0 KIAFMO CC(C)[C@H](NC(=O)CCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000095542313 562756644 /nfs/dbraw/zinc/75/66/44/562756644.db2.gz BLVVJSRDNWIWLI-NSVHCVEYSA-N 1 1 773.979 4.340 1 0 KIAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]C[C@H](O)c1ccccc1)C(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)C(C)C ZINC000095542454 562756755 /nfs/dbraw/zinc/75/67/55/562756755.db2.gz OTBHLBHTTSUSDZ-HMHVUYTNSA-N 1 1 805.977 4.051 1 0 KIAFMO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OCC=Cc2ccc3nc[nH]c3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095542543 562756800 /nfs/dbraw/zinc/75/68/00/562756800.db2.gz JULVZCFXXOHLSI-PPOYOMKVSA-N 1 1 754.922 4.438 1 0 KIAFMO COc1ccc([C@H](OC[C@H](O)CNCC[NH2+]C[C@@H](O)COC(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1O ZINC000095543409 562757242 /nfs/dbraw/zinc/75/72/42/562757242.db2.gz RWKJSPDLOSRJHE-VEFCPFGPSA-N 1 1 766.885 4.266 1 0 KIAFMO COc1ccc([C@@H](OC[C@H](O)CNCC[NH2+]C[C@@H](O)COC(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1O ZINC000095543410 562757215 /nfs/dbraw/zinc/75/72/15/562757215.db2.gz RWKJSPDLOSRJHE-KTTQJHDCSA-N 1 1 766.885 4.266 1 0 KIAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccc(O)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 ZINC000095549240 562759870 /nfs/dbraw/zinc/75/98/70/562759870.db2.gz JUJMPZFJVPIGLL-NREVGYPESA-N 1 1 751.925 4.347 1 0 KIAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2ccn(-c3cccc(C(F)(F)F)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095549250 562759843 /nfs/dbraw/zinc/75/98/43/562759843.db2.gz HSRYXNOZZMLYGS-KRXYOAFOSA-N 1 1 788.790 4.277 1 0 KIAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2ccn(-c3cccc(C(F)(F)F)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095549250 562759842 /nfs/dbraw/zinc/75/98/42/562759842.db2.gz HSRYXNOZZMLYGS-KRXYOAFOSA-N 1 1 788.790 4.277 1 0 KIAFMO Cc1nccc2sc(-c3c(C)[nH+]c(NCc4c(F)cc(F)cc4F)nc3N[C@@H]3C[C@H](C(C)(C)O)[C@@H](O)[C@H]3O)nc21 ZINC000095552076 562760544 /nfs/dbraw/zinc/76/05/44/562760544.db2.gz AHXGPXIGRQZHSA-REIWIRAVSA-N 1 1 574.629 4.088 1 0 KIAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4CC[C@@H](OC(C)(C)C)C4)cc3)nn3cccc23)n[nH]1 ZINC000095553187 562760863 /nfs/dbraw/zinc/76/08/63/562760863.db2.gz CZZNTJJSXZNFKL-LJQANCHMSA-N 1 1 520.663 4.484 1 0 KIAFMO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4CC[C@@H](OC(C)(C)C)C4)cc3)nn3cccc23)n[nH]1 ZINC000095553187 562760862 /nfs/dbraw/zinc/76/08/62/562760862.db2.gz CZZNTJJSXZNFKL-LJQANCHMSA-N 1 1 520.663 4.484 1 0 KIAFMO CC(C)[N@@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccccc2)[C@H](O)[C@@H]1O ZINC000095553362 562760951 /nfs/dbraw/zinc/76/09/51/562760951.db2.gz CKMLVERJYCAQQK-DWCTZGTLSA-N 1 1 630.794 4.277 1 0 KIAFMO C[NH+]1CCN(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000095553704 562761080 /nfs/dbraw/zinc/76/10/80/562761080.db2.gz YNGDZADJXARDMA-NRFANRHFSA-N 1 1 539.301 4.289 1 0 KIAFMO CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@H](CO)c1ccccc1 ZINC000095558053 562762327 /nfs/dbraw/zinc/76/23/27/562762327.db2.gz UMFTZASZHQPAME-NHWHBYNLSA-N 1 1 810.005 4.135 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)N=c2[nH]c3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000095558069 562762330 /nfs/dbraw/zinc/76/23/30/562762330.db2.gz BMTPSMURNNXYMF-NREVGYPESA-N 1 1 791.950 4.271 1 0 KIAFMO CC[C@H](C)[C@@H]1NC(=O)[C@@H]([NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)Oc2ccc(cc2)C[C@@H](C(=O)OC)NC1=O ZINC000095560894 562763181 /nfs/dbraw/zinc/76/31/81/562763181.db2.gz RXMINEMCFPIGKS-UCDZOKANSA-N 1 1 716.876 4.221 1 0 KIAFMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC[N@H+]3CCC[C@H](O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000095562141 562763585 /nfs/dbraw/zinc/76/35/85/562763585.db2.gz NHMUHBVXSXVYIM-OZXSUGGESA-N 1 1 567.727 4.292 1 0 KIAFMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC[N@H+]3CCC[C@@H](O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000095562142 562763576 /nfs/dbraw/zinc/76/35/76/562763576.db2.gz NHMUHBVXSXVYIM-BVAGGSTKSA-N 1 1 567.727 4.292 1 0 KIAFMO CCCN(c1cc(COC(=O)[C@](C)([NH3+])Cc2ccccc2)cc(C(=O)N[C@H](C)c2ccc(F)cc2)c1)S(C)(=O)=O ZINC000095563701 562764040 /nfs/dbraw/zinc/76/40/40/562764040.db2.gz CBQWVCKBPKQBPJ-IIMAJNMQSA-N 1 1 569.699 4.496 1 0 KIAFMO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](OCc3ccccc3)[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H]2OC(=O)O[C@@]21C ZINC000095564019 562764116 /nfs/dbraw/zinc/76/41/16/562764116.db2.gz KDVKPSPDGPRHSP-UZOBQFSZSA-N 1 1 719.869 4.100 1 0 KIAFMO CC1=C(C(=O)N2CC[NH+](C)CC2)C(C)=C(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc32)C1 ZINC000095564502 562764324 /nfs/dbraw/zinc/76/43/24/562764324.db2.gz YIECEZWWJSWRJN-MYYYXRDXSA-N 1 1 567.111 4.311 1 0 KIAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)O3)cc1 ZINC000095564528 562764373 /nfs/dbraw/zinc/76/43/73/562764373.db2.gz RUSJUTNVQBZBMA-JWUQWVJQSA-N 1 1 587.783 4.157 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095565249 562764593 /nfs/dbraw/zinc/76/45/93/562764593.db2.gz CQUNCRURMLNMRB-SBZVUBOMSA-N 1 1 593.769 4.358 1 0 KIAFMO COc1ccc(C[N@@H+](C)C[C@@H]2Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095565615 562764631 /nfs/dbraw/zinc/76/46/31/562764631.db2.gz TZMVARYQISQZLJ-WOGZVKCMSA-N 1 1 616.180 4.430 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095566135 562764798 /nfs/dbraw/zinc/76/47/98/562764798.db2.gz YCMQTTLPFMFYTR-JDNLVSNKSA-N 1 1 613.759 4.151 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095566393 562764978 /nfs/dbraw/zinc/76/49/78/562764978.db2.gz CQUNCRURMLNMRB-QFWOEDSFSA-N 1 1 593.769 4.358 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095566587 562765073 /nfs/dbraw/zinc/76/50/73/562765073.db2.gz YCMQTTLPFMFYTR-MEYXWREJSA-N 1 1 613.759 4.151 1 0 KIAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3ccc(NC(=O)C4CCCCC4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095566611 562765117 /nfs/dbraw/zinc/76/51/17/562765117.db2.gz WTLJZIYWGIRRST-ZTNZZFSWSA-N 1 1 551.728 4.495 1 0 KIAFMO COc1ccc(C[N@@H+](C)C[C@@H]2Oc3ccc(NC(=O)Cc4ccccc4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095566617 562765165 /nfs/dbraw/zinc/76/51/65/562765165.db2.gz FCJPELNAJUOLHS-MKGJDZFWSA-N 1 1 559.707 4.157 1 0 KIAFMO Cc1cc(C(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095567128 562765551 /nfs/dbraw/zinc/76/55/51/562765551.db2.gz KFJWXWMGNBHOHQ-IZVNREOLSA-N 1 1 653.784 4.167 1 0 KIAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095567151 562765542 /nfs/dbraw/zinc/76/55/42/562765542.db2.gz TZMVARYQISQZLJ-NPKFRGRUSA-N 1 1 616.180 4.430 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567297 562765713 /nfs/dbraw/zinc/76/57/13/562765713.db2.gz MVTKQSXBOABTSJ-QLVXXPONSA-N 1 1 586.154 4.422 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095567403 562765763 /nfs/dbraw/zinc/76/57/63/562765763.db2.gz BBXSEZIVNBOEOC-FONBTEPMSA-N 1 1 560.651 4.411 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095567410 562765825 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C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095568106 562766346 /nfs/dbraw/zinc/76/63/46/562766346.db2.gz CQUNCRURMLNMRB-SGQNLQFHSA-N 1 1 593.769 4.358 1 0 KIAFMO CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)O2 ZINC000095568256 562766423 /nfs/dbraw/zinc/76/64/23/562766423.db2.gz NGECZVDIDJEQHJ-XNSHOJTPSA-N 1 1 630.790 4.332 1 0 KIAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)O3)cc1 ZINC000095568445 562766615 /nfs/dbraw/zinc/76/66/15/562766615.db2.gz GJKCSPBKUOKTDG-ZLRJYYBNSA-N 1 1 565.736 4.077 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568525 562766658 /nfs/dbraw/zinc/76/66/58/562766658.db2.gz MVTKQSXBOABTSJ-SYZUXVNWSA-N 1 1 586.154 4.422 1 0 KIAFMO O=C(c1cccc(N2CCCC2=O)c1)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)CC1 ZINC000095568987 562767049 /nfs/dbraw/zinc/76/70/49/562767049.db2.gz RNBJPJWOLOQMRP-UHFFFAOYSA-N 1 1 539.680 4.214 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000095569140 562767256 /nfs/dbraw/zinc/76/72/56/562767256.db2.gz CUGBMLDXYRWSMY-DQCZWYHMSA-N 1 1 567.708 4.203 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000095569140 562767255 /nfs/dbraw/zinc/76/72/55/562767255.db2.gz CUGBMLDXYRWSMY-DQCZWYHMSA-N 1 1 567.708 4.203 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095569265 562767360 /nfs/dbraw/zinc/76/73/60/562767360.db2.gz MDIKSXLUHBOMET-MWXNICTNSA-N 1 1 565.711 4.215 1 0 KIAFMO Cc1cc(C(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095569462 562767438 /nfs/dbraw/zinc/76/74/38/562767438.db2.gz KFJWXWMGNBHOHQ-BNPXQZISSA-N 1 1 653.784 4.167 1 0 KIAFMO CC(C)NC(=O)Nc1cccc2c1O[C@H](C[N@@H+](C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)[C@H](C)CN([C@@H](C)CO)C2=O ZINC000095569786 562767657 /nfs/dbraw/zinc/76/76/57/562767657.db2.gz FRANJNQGVHQOSC-DUELTEGESA-N 1 1 616.763 4.403 1 0 KIAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)O3)cc1 ZINC000095569804 562767735 /nfs/dbraw/zinc/76/77/35/562767735.db2.gz GJKCSPBKUOKTDG-QEGDFHJFSA-N 1 1 565.736 4.077 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095570095 562767918 /nfs/dbraw/zinc/76/79/18/562767918.db2.gz STVZAKYNRUDYOR-SWYRRKHMSA-N 1 1 508.663 4.066 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000095570153 562767948 /nfs/dbraw/zinc/76/79/48/562767948.db2.gz YCMQTTLPFMFYTR-YBBGPBPVSA-N 1 1 613.759 4.151 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570634 562768371 /nfs/dbraw/zinc/76/83/71/562768371.db2.gz LKBCQLBSESIVFD-JAOJVIEDSA-N 1 1 630.163 4.151 1 0 KIAFMO O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)C[N@@H+]2CCC(F)(F)F)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095570899 562768608 /nfs/dbraw/zinc/76/86/08/562768608.db2.gz HZAABOSBDYXUMN-HVHOJJEHSA-N 1 1 522.564 4.047 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095571095 562768787 /nfs/dbraw/zinc/76/87/87/562768787.db2.gz STVZAKYNRUDYOR-ISJBWFOZSA-N 1 1 508.663 4.066 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571344 562768995 /nfs/dbraw/zinc/76/89/95/562768995.db2.gz CQUNCRURMLNMRB-AFKLWXAFSA-N 1 1 593.769 4.358 1 0 KIAFMO CO[C@]12CC[C@@]3(C[C@@H]1NC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095571609 562769161 /nfs/dbraw/zinc/76/91/61/562769161.db2.gz MKPRSYPYTIHVPA-LLGIIEGRSA-N 1 1 512.650 4.199 1 0 KIAFMO CC(C)Oc1cccc(C[N@H+]2CC[C@]3(CN(c4ncccn4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095573344 562769671 /nfs/dbraw/zinc/76/96/71/562769671.db2.gz CPNYKYVZIZDRFM-KDYSTLNUSA-N 1 1 525.650 4.398 1 0 KIAFMO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095573967 562769855 /nfs/dbraw/zinc/76/98/55/562769855.db2.gz VUBGOJHJGFQVIC-VEDZNKNSSA-N 1 1 526.677 4.446 1 0 KIAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](C(=O)Nc2ccc(Br)cc2)[N@H+]2CC[C@H](O)C2)cc1 ZINC000095576472 562770677 /nfs/dbraw/zinc/77/06/77/562770677.db2.gz VQHGQDXRCOYKQH-VCSVSCOXSA-N 1 1 535.442 4.430 1 0 KIAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](C(=O)Nc2ccc(Br)cc2)[N@@H+]2CC[C@H](O)C2)cc1 ZINC000095576472 562770676 /nfs/dbraw/zinc/77/06/76/562770676.db2.gz VQHGQDXRCOYKQH-VCSVSCOXSA-N 1 1 535.442 4.430 1 0 KIAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](C(=O)Nc2ccc(Br)cc2)[N@H+]2CC[C@H](O)C2)cc1 ZINC000095576473 562770682 /nfs/dbraw/zinc/77/06/82/562770682.db2.gz 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/nfs/dbraw/zinc/77/45/12/562774512.db2.gz TXRFRGPNUHBBQX-ILMLRKPHSA-N 1 1 795.978 4.398 1 0 KIAFMO CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000095589716 562775062 /nfs/dbraw/zinc/77/50/62/562775062.db2.gz NIXNBFQIWAAYNO-JHOUSYSJSA-N 1 1 570.778 4.469 1 0 KIAFMO O=C1C(=O)N(Cc2cnnn2CCNc2cc[nH+]c3cc(Cl)ccc23)c2ccc(Br)cc21 ZINC000095591120 562775492 /nfs/dbraw/zinc/77/54/92/562775492.db2.gz ABHDYSKUXJAOKY-UHFFFAOYSA-N 1 1 511.767 4.084 1 0 KIAFMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3ccccc3Cl)n1-2 ZINC000095591711 562775723 /nfs/dbraw/zinc/77/57/23/562775723.db2.gz AJOKHQOPASHAFL-UHFFFAOYSA-N 1 1 513.045 4.443 1 0 KIAFMO O=C1C(=O)N(Cc2cnnn2CCCNc2cc[nH+]c3cc(Cl)ccc23)c2ccc(Br)cc21 ZINC000095592013 562775821 /nfs/dbraw/zinc/77/58/21/562775821.db2.gz FXHPVFHAILHZLX-UHFFFAOYSA-N 1 1 525.794 4.474 1 0 KIAFMO COc1ccc2cc3[n+](cc2c1OCCN(CCn1cncn1)Cc1cccc(F)c1)CCc1cc2c(cc1-3)OCO2 ZINC000095593621 562776289 /nfs/dbraw/zinc/77/62/89/562776289.db2.gz CNSYNGMGRNGGED-UHFFFAOYSA-N 1 1 568.629 4.400 1 0 KIAFMO O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)C[N@@H+]2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095598705 562777430 /nfs/dbraw/zinc/77/74/30/562777430.db2.gz OJBHRHOQEWVARJ-BXAWWBQVSA-N 1 1 530.621 4.220 1 0 KIAFMO COc1ccc(-c2ccc([C@@H]3[C@H](CO)[N@H+]4CCCCN(C(=O)c5ccc6c(c5)OCO6)C[C@H]34)cc2)cc1 ZINC000095598743 562777482 /nfs/dbraw/zinc/77/74/82/562777482.db2.gz UFXRSNFCWVZUQM-ALTZYDRJSA-N 1 1 500.595 4.156 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095598800 562777542 /nfs/dbraw/zinc/77/75/42/562777542.db2.gz QXBUWZYZXJXLTK-BALWLHIASA-N 1 1 566.699 4.222 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095599024 562777735 /nfs/dbraw/zinc/77/77/35/562777735.db2.gz STVZAKYNRUDYOR-YPCDYVTLSA-N 1 1 508.663 4.066 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095599134 562777786 /nfs/dbraw/zinc/77/77/86/562777786.db2.gz GICWHENSWCRTTD-WYEJZRMESA-N 1 1 571.600 4.100 1 0 KIAFMO O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)C[N@@H+]2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095599229 562777873 /nfs/dbraw/zinc/77/78/73/562777873.db2.gz OJBHRHOQEWVARJ-MHTMXISKSA-N 1 1 530.621 4.220 1 0 KIAFMO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](C[N@@H+](C)Cc1ccccc1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095599781 562778318 /nfs/dbraw/zinc/77/83/18/562778318.db2.gz WEIFQNHLUCKZCL-OSWQYVSFSA-N 1 1 535.645 4.288 1 0 KIAFMO Cc1cc(C(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095599802 562778315 /nfs/dbraw/zinc/77/83/15/562778315.db2.gz QDWNULGEXLCSRK-QRRVGDGBSA-N 1 1 587.643 4.352 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000095599869 562778395 /nfs/dbraw/zinc/77/83/95/562778395.db2.gz NCOUJUBTEWMJHZ-CUVVAGTFSA-N 1 1 577.644 4.423 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2F)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095599915 562778434 /nfs/dbraw/zinc/77/84/34/562778434.db2.gz PQGYKYWXFAJTLI-UNVFRBQDSA-N 1 1 502.652 4.294 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccccc2F)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095599915 562778433 /nfs/dbraw/zinc/77/84/33/562778433.db2.gz PQGYKYWXFAJTLI-UNVFRBQDSA-N 1 1 502.652 4.294 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095600154 562778688 /nfs/dbraw/zinc/77/86/88/562778688.db2.gz MGKVSAZSRLMOTM-VDZJOXJSSA-N 1 1 599.732 4.222 1 0 KIAFMO O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)C[N@@H+]2Cc2cccc(C(F)(F)F)c2)O1)NCc1ccc(Cl)cc1 ZINC000095600203 562778680 /nfs/dbraw/zinc/77/86/80/562778680.db2.gz MKZVTDJRJDFKFH-NAVOZUGXSA-N 1 1 526.983 4.175 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095600366 562778867 /nfs/dbraw/zinc/77/88/67/562778867.db2.gz KGMOSJADCSKDLW-UZEJHQAJSA-N 1 1 572.493 4.388 1 0 KIAFMO CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095600383 562778882 /nfs/dbraw/zinc/77/88/82/562778882.db2.gz MHGGQJRIOQBKBK-XWXLMPLOSA-N 1 1 515.601 4.320 1 0 KIAFMO CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)[N@H+](Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095600383 562778881 /nfs/dbraw/zinc/77/88/81/562778881.db2.gz MHGGQJRIOQBKBK-XWXLMPLOSA-N 1 1 515.601 4.320 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095600655 562779097 /nfs/dbraw/zinc/77/90/97/562779097.db2.gz STVZAKYNRUDYOR-LZCXECNNSA-N 1 1 508.663 4.066 1 0 KIAFMO COc1ccc(NC(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc4c(c2)OCO4)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095600850 562779275 /nfs/dbraw/zinc/77/92/75/562779275.db2.gz QWIQMHSQTXUQBK-BNJCFXFUSA-N 1 1 590.677 4.420 1 0 KIAFMO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)O[C@@H]1CO2 ZINC000095600881 562779327 /nfs/dbraw/zinc/77/93/27/562779327.db2.gz JZQJXXSKGFWMTL-HLBHGXTFSA-N 1 1 616.719 4.097 1 0 KIAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095600903 562779333 /nfs/dbraw/zinc/77/93/33/562779333.db2.gz VJXHRMPDQSPMOP-KFCPHXPSSA-N 1 1 604.704 4.349 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095600987 562779355 /nfs/dbraw/zinc/77/93/55/562779355.db2.gz KBMPCTIBOSXGBL-VDWGHMIBSA-N 1 1 536.717 4.422 1 0 KIAFMO CC[C@H](Sc1nnc2c3ccccc3n(Cc3ccc(Br)cc3)c2n1)C(=O)NCCC[NH+]1CCOCC1 ZINC000095601598 562779694 /nfs/dbraw/zinc/77/96/94/562779694.db2.gz FJYNFTOMHAVGLS-QHCPKHFHSA-N 1 1 583.556 4.500 1 0 KIAFMO CC[C@@H](Sc1nnc2c3ccccc3n(Cc3ccc(Br)cc3)c2n1)C(=O)NCCC[NH+]1CCOCC1 ZINC000095601599 562779681 /nfs/dbraw/zinc/77/96/81/562779681.db2.gz FJYNFTOMHAVGLS-HSZRJFAPSA-N 1 1 583.556 4.500 1 0 KIAFMO O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)C[N@@H+]2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCN(c2ccccc2)CC1 ZINC000095601712 562779742 /nfs/dbraw/zinc/77/97/42/562779742.db2.gz WFSMXLKWCXLDNK-OOUBJREFSA-N 1 1 571.718 4.327 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095602296 562779997 /nfs/dbraw/zinc/77/99/97/562779997.db2.gz ZCLFEQBFHRMJFK-GZNUUUAQSA-N 1 1 611.828 4.289 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095602673 562780137 /nfs/dbraw/zinc/78/01/37/562780137.db2.gz CUGQDGKRGHWHCW-BALWLHIASA-N 1 1 560.651 4.411 1 0 KIAFMO Cc1cc(C(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095604057 562780843 /nfs/dbraw/zinc/78/08/43/562780843.db2.gz QDWNULGEXLCSRK-DZTNWFRXSA-N 1 1 587.643 4.352 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095604116 562780855 /nfs/dbraw/zinc/78/08/55/562780855.db2.gz YPRSXMKGYJTLTQ-GGUMNFRJSA-N 1 1 533.591 4.406 1 0 KIAFMO O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)C[N@@H+]2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095604292 562780938 /nfs/dbraw/zinc/78/09/38/562780938.db2.gz OJBHRHOQEWVARJ-DEJVGURISA-N 1 1 530.621 4.220 1 0 KIAFMO COc1ccc(-c2ccc([C@H]3[C@@H](CO)[N@H+]4CCCCN(C(=O)c5ccc6c(c5)OCO6)C[C@H]34)cc2)cc1 ZINC000095604568 562781080 /nfs/dbraw/zinc/78/10/80/562781080.db2.gz UFXRSNFCWVZUQM-WWPJHQMMSA-N 1 1 500.595 4.156 1 0 KIAFMO COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)C[N@H+](CC1CC1)[C@@H](C)CO2 ZINC000095604579 562781068 /nfs/dbraw/zinc/78/10/68/562781068.db2.gz QPDXZJGVGOHLSD-OSOCVKALSA-N 1 1 509.647 4.164 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2F)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095604594 562781120 /nfs/dbraw/zinc/78/11/20/562781120.db2.gz PQGYKYWXFAJTLI-BVFVYWQFSA-N 1 1 502.652 4.294 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccccc2F)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095604594 562781119 /nfs/dbraw/zinc/78/11/19/562781119.db2.gz PQGYKYWXFAJTLI-BVFVYWQFSA-N 1 1 502.652 4.294 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095604659 562781178 /nfs/dbraw/zinc/78/11/78/562781178.db2.gz YPRSXMKGYJTLTQ-HOOSLVGPSA-N 1 1 533.591 4.406 1 0 KIAFMO O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)C[N@@H+]2Cc2ccc(Oc3ccccc3)cc2)O1)Nc1nccs1 ZINC000095604815 562781198 /nfs/dbraw/zinc/78/11/98/562781198.db2.gz HOVDDXWDVMUCEB-AKAGGGOCSA-N 1 1 509.628 4.074 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095604849 562781201 /nfs/dbraw/zinc/78/12/01/562781201.db2.gz GICWHENSWCRTTD-OSWQYVSFSA-N 1 1 571.600 4.100 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095605122 562781373 /nfs/dbraw/zinc/78/13/73/562781373.db2.gz YPRSXMKGYJTLTQ-LLJLJFOGSA-N 1 1 533.591 4.406 1 0 KIAFMO C[NH+]1CCN(C(=O)COc2ccc(C[C@H](CC(=O)CN3C(=O)[C@@H](Cc4ccccc4)C[C@@H]3Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)cc2)CC1 ZINC000095606511 562782101 /nfs/dbraw/zinc/78/21/01/562782101.db2.gz PVEVNYZETKUVSH-ZHQQEOCWSA-N 1 1 756.944 4.434 1 0 KIAFMO C[NH+]1CCN(C(=O)COc2ccc(C[C@H](CC(=O)CN3C(=O)[C@@H](Cc4ccccc4)C[C@@H]3Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)CC1 ZINC000095606512 562782105 /nfs/dbraw/zinc/78/21/05/562782105.db2.gz PVEVNYZETKUVSH-SXUYQBBFSA-N 1 1 756.944 4.434 1 0 KIAFMO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NCC(F)=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@@H]2NC(=S)O[C@@]21C ZINC000095607349 562782753 /nfs/dbraw/zinc/78/27/53/562782753.db2.gz VIJASYUAVLYQLR-JDBCPRHSSA-N 1 1 845.000 4.211 1 0 KIAFMO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[NH2+]CCN2C(=O)OC(C)(C)C)CC1 ZINC000095607662 562783018 /nfs/dbraw/zinc/78/30/18/562783018.db2.gz AUJXVLHOWUBHBM-IZLXSDGUSA-N 1 1 643.845 4.166 1 0 KIAFMO CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccn1)C(C)C ZINC000095608465 562783553 /nfs/dbraw/zinc/78/35/53/562783553.db2.gz GLVORTHGVAFGPB-PLXHNDKISA-N 1 1 757.936 4.088 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Nc2cccc(OC)c2OC)C(C)(C)C)cc1 ZINC000095609597 562783878 /nfs/dbraw/zinc/78/38/78/562783878.db2.gz CRSBLGVQVRTNCO-TYTTVVLSSA-N 1 1 767.924 4.270 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)(C)C)cc1 ZINC000095609605 562783858 /nfs/dbraw/zinc/78/38/58/562783858.db2.gz AEJMIBHXONFIJT-SZSCFNLPSA-N 1 1 760.936 4.056 1 0 KIAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1nc2ccccc2[nH]1)C(C)C)C(=O)NCc1ccccc1 ZINC000095610626 562784527 /nfs/dbraw/zinc/78/45/27/562784527.db2.gz BZKSWCPXTIIOKX-KMHPXQNHSA-N 1 1 788.994 4.433 1 0 KIAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095611229 562784891 /nfs/dbraw/zinc/78/48/91/562784891.db2.gz JHLHCZGWXCUYAR-KRXYOAFOSA-N 1 1 788.790 4.277 1 0 KIAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095611229 562784890 /nfs/dbraw/zinc/78/48/90/562784890.db2.gz JHLHCZGWXCUYAR-KRXYOAFOSA-N 1 1 788.790 4.277 1 0 KIAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000095611512 562785093 /nfs/dbraw/zinc/78/50/93/562785093.db2.gz RYSSYJVXJSFOJJ-JACQBIKPSA-N 1 1 750.941 4.427 1 0 KIAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)N[C@H](CO)c2ccccc2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 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PFQKGIPLZOAHHD-WDYNHAJCSA-N 1 1 632.596 4.062 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000095614322 562786530 /nfs/dbraw/zinc/78/65/30/562786530.db2.gz KCGRCWANRPFPEE-YCPOTKAXSA-N 1 1 755.957 4.249 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000095614323 562786536 /nfs/dbraw/zinc/78/65/36/562786536.db2.gz KCGRCWANRPFPEE-MVOQYKQXSA-N 1 1 755.957 4.249 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000095614324 562786588 /nfs/dbraw/zinc/78/65/88/562786588.db2.gz KCGRCWANRPFPEE-DZYYEPHDSA-N 1 1 755.957 4.249 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000095614325 562786565 /nfs/dbraw/zinc/78/65/65/562786565.db2.gz KCGRCWANRPFPEE-HVKOLIEQSA-N 1 1 755.957 4.249 1 0 KIAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@@H+](Cc2ccn(-c3ccccc3C(F)(F)F)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095614790 562786899 /nfs/dbraw/zinc/78/68/99/562786899.db2.gz MBCZMDSALKGQPM-NGKSUJSQSA-N 1 1 788.790 4.277 1 0 KIAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CC[N@H+](Cc2ccn(-c3ccccc3C(F)(F)F)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095614790 562786898 /nfs/dbraw/zinc/78/68/98/562786898.db2.gz MBCZMDSALKGQPM-NGKSUJSQSA-N 1 1 788.790 4.277 1 0 KIAFMO CC(C)C[C@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](O)C[C@@H](C)C(=O)NN1CC[NH+](Cc2ccccc2)CC1 ZINC000095614950 562786977 /nfs/dbraw/zinc/78/69/77/562786977.db2.gz UMKZPAWELBKBDK-SFSFMBGESA-N 1 1 752.954 4.093 1 0 KIAFMO CC[N@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@](OC(=O)/C=C/c5ccc(O)c(OC)c5)(C[C@@H]6OC)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14 ZINC000095615034 562787054 /nfs/dbraw/zinc/78/70/54/562787054.db2.gz KJMRKEHASWIBPI-WFDBCZTCSA-N 1 1 747.882 4.114 1 0 KIAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095680804 562788458 /nfs/dbraw/zinc/78/84/58/562788458.db2.gz BVHOIAIAOWQXJA-XWXLMPLOSA-N 1 1 515.601 4.320 1 0 KIAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)[N@H+](Cc2cc(F)ccc2F)C[C@@H]1C ZINC000095680804 562788457 /nfs/dbraw/zinc/78/84/57/562788457.db2.gz BVHOIAIAOWQXJA-XWXLMPLOSA-N 1 1 515.601 4.320 1 0 KIAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)[N@@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC000095680806 562788463 /nfs/dbraw/zinc/78/84/63/562788463.db2.gz BVHOIAIAOWQXJA-KABRZNFWSA-N 1 1 515.601 4.320 1 0 KIAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)[N@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC000095680806 562788462 /nfs/dbraw/zinc/78/84/62/562788462.db2.gz BVHOIAIAOWQXJA-KABRZNFWSA-N 1 1 515.601 4.320 1 0 KIAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)[N@@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC000095680807 562788450 /nfs/dbraw/zinc/78/84/50/562788450.db2.gz BVHOIAIAOWQXJA-ZENTWMBTSA-N 1 1 515.601 4.320 1 0 KIAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)[N@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC000095680807 562788449 /nfs/dbraw/zinc/78/84/49/562788449.db2.gz BVHOIAIAOWQXJA-ZENTWMBTSA-N 1 1 515.601 4.320 1 0 KIAFMO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2OC[C@@H](C)[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1C ZINC000095691114 562788522 /nfs/dbraw/zinc/78/85/22/562788522.db2.gz RAUAIKRQHBPTMD-PAZSBGSYSA-N 1 1 603.672 4.403 1 0 KIAFMO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)[N@@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC000095693503 562788475 /nfs/dbraw/zinc/78/84/75/562788475.db2.gz MHGGQJRIOQBKBK-UYPAYLBCSA-N 1 1 515.601 4.320 1 0 KIAFMO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)[N@H+](Cc2cc(F)ccc2F)C[C@H]1C ZINC000095693503 562788474 /nfs/dbraw/zinc/78/84/74/562788474.db2.gz MHGGQJRIOQBKBK-UYPAYLBCSA-N 1 1 515.601 4.320 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2cccc(F)c2)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095711233 562788652 /nfs/dbraw/zinc/78/86/52/562788652.db2.gz PQKQYADLQUPHGU-NOMHHCBYSA-N 1 1 512.647 4.393 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095754817 562788896 /nfs/dbraw/zinc/78/88/96/562788896.db2.gz AZLHPJSVCZJLQY-DGIFUFQNSA-N 1 1 574.678 4.340 1 0 KIAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)O3)cc1 ZINC000095754961 562788875 /nfs/dbraw/zinc/78/88/75/562788875.db2.gz SMQBCKXZAWBXGE-BXOOBUKZSA-N 1 1 561.683 4.015 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095782624 562789077 /nfs/dbraw/zinc/78/90/77/562789077.db2.gz QMJDGTKOTWCVIL-XYTRMVCOSA-N 1 1 618.687 4.069 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095822107 562789215 /nfs/dbraw/zinc/78/92/15/562789215.db2.gz MVTKQSXBOABTSJ-IHMCZWCLSA-N 1 1 586.154 4.422 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O ZINC000095833817 562789387 /nfs/dbraw/zinc/78/93/87/562789387.db2.gz GICWHENSWCRTTD-HHJKRLRDSA-N 1 1 571.600 4.100 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095834270 562789367 /nfs/dbraw/zinc/78/93/67/562789367.db2.gz QMJDGTKOTWCVIL-ICYRDHFCSA-N 1 1 618.687 4.069 1 0 KIAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095860844 562789715 /nfs/dbraw/zinc/78/97/15/562789715.db2.gz NGRSXEMLDRQNMH-LPBFERMMSA-N 1 1 590.677 4.420 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095860995 562789718 /nfs/dbraw/zinc/78/97/18/562789718.db2.gz DAPIBIRMBOQELH-RZIGYZOXSA-N 1 1 543.730 4.220 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095861957 562789710 /nfs/dbraw/zinc/78/97/10/562789710.db2.gz NHCHRXXZNQAEEO-PKIAKLFDSA-N 1 1 569.706 4.107 1 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095862690 562789726 /nfs/dbraw/zinc/78/97/26/562789726.db2.gz JVQYZDSRPVTFBX-CURJATOHSA-N 1 1 612.727 4.440 1 0 KIAFMO COc1ccc2c(c1)n(C)c1c2C2(C[NH+](Cc3cccnc3)C2)CN(C(=O)Nc2ccc(F)cc2)[C@H]1CO ZINC000095865701 562789772 /nfs/dbraw/zinc/78/97/72/562789772.db2.gz DETSTKSXIJZOFO-VWLOTQADSA-N 1 1 515.589 4.056 1 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2cccnc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095867064 562789811 /nfs/dbraw/zinc/78/98/11/562789811.db2.gz OSTHSAGIWICZAX-LXWUCCHHSA-N 1 1 521.683 4.153 1 0 KIAFMO 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LAIWUFPMTOEBCI-CUVVAGTFSA-N 1 1 537.060 4.339 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(F)cc2Cl)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872130 562790069 /nfs/dbraw/zinc/79/00/69/562790069.db2.gz HSCXADBYAHDKDX-LZJCXSABSA-N 1 1 555.050 4.479 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(F)cc2Cl)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872130 562790068 /nfs/dbraw/zinc/79/00/68/562790068.db2.gz HSCXADBYAHDKDX-LZJCXSABSA-N 1 1 555.050 4.479 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(F)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872132 562790026 /nfs/dbraw/zinc/79/00/26/562790026.db2.gz OZLYOJKABVXQBS-LZJCXSABSA-N 1 1 555.050 4.479 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872133 562790018 /nfs/dbraw/zinc/79/00/18/562790018.db2.gz XQAILBCYUHKEJK-CUVVAGTFSA-N 1 1 537.060 4.339 1 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(F)c(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872140 562790053 /nfs/dbraw/zinc/79/00/53/562790053.db2.gz FHSMAZGGDUQKIX-LZJCXSABSA-N 1 1 555.050 4.479 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095873109 562790174 /nfs/dbraw/zinc/79/01/74/562790174.db2.gz XQAILBCYUHKEJK-GOHWNWGWSA-N 1 1 537.060 4.339 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2cccc(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095873110 562790168 /nfs/dbraw/zinc/79/01/68/562790168.db2.gz LAIWUFPMTOEBCI-GOHWNWGWSA-N 1 1 537.060 4.339 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2Cl)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095873111 562790132 /nfs/dbraw/zinc/79/01/32/562790132.db2.gz SLJSOZWQVGRWDV-GOHWNWGWSA-N 1 1 537.060 4.339 1 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccccc2Cl)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095873111 562790131 /nfs/dbraw/zinc/79/01/31/562790131.db2.gz SLJSOZWQVGRWDV-GOHWNWGWSA-N 1 1 537.060 4.339 1 0 KIAFMO COc1ccc(-c2ccc([C@H]3[C@@H]4CN(C(=O)c5ccc6c(c5)OCO6)CCCC[N@@H+]4[C@@H]3CO)cc2)cc1 ZINC000095875550 562790139 /nfs/dbraw/zinc/79/01/39/562790139.db2.gz UFXRSNFCWVZUQM-HFASVGIHSA-N 1 1 500.595 4.156 1 0 KIAFMO O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)C[N@@H+]2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCN(c2ccccc2)CC1 ZINC000095886583 562790193 /nfs/dbraw/zinc/79/01/93/562790193.db2.gz WFSMXLKWCXLDNK-PHTQWASBSA-N 1 1 571.718 4.327 1 0 KIAFMO O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)C[N@@H+]2Cc2ccc3c(c2)OCO3)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095887809 562790219 /nfs/dbraw/zinc/79/02/19/562790219.db2.gz OJBHRHOQEWVARJ-HOSLJWMQSA-N 1 1 530.621 4.220 1 0 KIAFMO COc1ccc(C(=O)O[C@@H]2[C@]34CC[C@@H](C[C@@H]3[C@@]35CCC[C@@]6(C)C[N@@H+](C)[C@@H]3[C@@H]4C[C@@H]56)[C@@]2(O)COC(C)=O)cc1OC ZINC000095919343 560054498 /nfs/dbraw/zinc/05/44/98/560054498.db2.gz KTVHQYRUFIKEDO-SHOATMGESA-N 1 1 553.696 4.080 1 0 biogenic,in-vitro KIAFMO CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(OC)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000096126886 562790393 /nfs/dbraw/zinc/79/03/93/562790393.db2.gz NFVMZTGQYWKGPM-VXINYTPRSA-N 1 1 722.883 4.357 1 0 KIAFMO CC(C)(c1ccc(-c2ccncc2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000096142896 562790448 /nfs/dbraw/zinc/79/04/48/562790448.db2.gz DYYJWDSYFDXNOW-FLOLVYIHSA-N 1 1 749.831 4.462 1 0 KIAFMO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3cc(N4CC[NH+](CCO)CC4)nc(C)n3)nc12 ZINC000096167809 562790595 /nfs/dbraw/zinc/79/05/95/562790595.db2.gz XWKXGSRMVTYQMP-UHFFFAOYSA-N 1 1 525.444 4.263 1 0 KIAFMO CP(C)(=O)c1ccc(-c2cccn3nc(N(CCS(C)(=O)=O)c4cccc(C5CC[NH+](CCS(C)(=O)=O)CC5)c4)nc23)cc1 ZINC000096169718 562790817 /nfs/dbraw/zinc/79/08/17/562790817.db2.gz DPQHVICKJJZIDX-UHFFFAOYSA-N 1 1 657.799 4.051 1 0 KIAFMO COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169828 562790883 /nfs/dbraw/zinc/79/08/83/562790883.db2.gz DETXVHJTMOFKKV-UHFFFAOYSA-N 1 1 505.022 4.291 1 0 KIAFMO CN(C)C(=O)C[N@H+]1CCc2ccc(Nc3nc4c(-c5ccccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169868 562790880 /nfs/dbraw/zinc/79/08/80/562790880.db2.gz LHEMKQCKNIDFCO-UHFFFAOYSA-N 1 1 520.584 4.273 1 0 KIAFMO CN(C)C(=O)C[N@H+]1CCc2ccc(Nc3nc4c(-c5cc(F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169878 562790899 /nfs/dbraw/zinc/79/08/99/562790899.db2.gz URVSLNBYVORMOC-UHFFFAOYSA-N 1 1 538.574 4.412 1 0 KIAFMO C[N@H+]1CCCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000096170174 562791043 /nfs/dbraw/zinc/79/10/43/562791043.db2.gz OVSGUAZNSVNFFG-UHFFFAOYSA-N 1 1 502.018 4.111 1 0 KIAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CN(C(=O)[C@@H]3CCC[N@H+]3C)C1)C2 ZINC000096177901 562792446 /nfs/dbraw/zinc/79/24/46/562792446.db2.gz LSNNXCASBUIHMF-VWLOTQADSA-N 1 1 654.193 4.069 1 0 KIAFMO Cc1nc(Nc2cc(-c3ccc(CNC(=O)Nc4cc(C(C)(C)C)on4)cc3)[nH]n2)cc(N2CC[NH+](C)CC2)n1 ZINC000096270646 562793294 /nfs/dbraw/zinc/79/32/94/562793294.db2.gz CTKQPPMTGQKFRE-UHFFFAOYSA-N 1 1 544.664 4.278 1 0 KIAFMO CN1CC[NH+](Cc2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)Nc5ccccc5)cc4)[nH]n3)cc2)CC1 ZINC000096270654 562793334 /nfs/dbraw/zinc/79/33/34/562793334.db2.gz RPUVCLOEZQLZPD-UHFFFAOYSA-N 1 1 523.641 4.398 1 0 KIAFMO COc1cc(=O)oc2cc(OCCC[NH+]3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271828 562793896 /nfs/dbraw/zinc/79/38/96/562793896.db2.gz CSOBROVYJLLXAQ-UHFFFAOYSA-N 1 1 556.663 4.254 1 0 KIAFMO O=C(CN1CC[NH+](CCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271837 562793927 /nfs/dbraw/zinc/79/39/27/562793927.db2.gz BQPITAWTQRMCJX-UHFFFAOYSA-N 1 1 526.637 4.245 1 0 KIAFMO S=C1N=C2C(=Cc3ccc(Cl)cc3)C[N@@H+](CCN3CCOCC3)CC2[C@@H](c2ccc(Cl)cc2)N1 ZINC000096282906 562794714 /nfs/dbraw/zinc/79/47/14/562794714.db2.gz FRRTUQOUHUKIRG-NAENUDGNSA-N 1 1 515.510 4.498 1 0 KIAFMO S=C1N=C2C(=Cc3ccc(Cl)cc3)C[N@@H+](CCN3CCOCC3)CC2[C@H](c2ccc(Cl)cc2)N1 ZINC000096282907 562794730 /nfs/dbraw/zinc/79/47/30/562794730.db2.gz FRRTUQOUHUKIRG-ATOQVSERSA-N 1 1 515.510 4.498 1 0 KIAFMO COc1ccccc1N1CCN(c2nc(CC[NH+]3CCN(c4ccccc4OC)CC3)nc3cc(OC)c(OC)cc32)CC1 ZINC000096284492 562795132 /nfs/dbraw/zinc/79/51/32/562795132.db2.gz YVDRBUFQCDWPFH-UHFFFAOYSA-N 1 1 598.748 4.356 1 0 KIAFMO Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2cc(N3CC[NH+](CCO)CC3)nc(C)n2)ncn1 ZINC000096301067 562796220 /nfs/dbraw/zinc/79/62/20/562796220.db2.gz ZFGRQAXIHZXQBZ-UHFFFAOYSA-N 1 1 571.089 4.477 1 0 KIAFMO CC[N@@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1cnco1)C[C@H](Cc1ccccc1)NC(=O)OCc1ncco1 ZINC000096315941 562796495 /nfs/dbraw/zinc/79/64/95/562796495.db2.gz ACZVADNXZFAFAJ-UIOOFZCWSA-N 1 1 561.639 4.360 1 0 KIAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000096318625 562796577 /nfs/dbraw/zinc/79/65/77/562796577.db2.gz CRSGHEPGTAUWJO-QNWVGRARSA-N 1 1 501.672 4.190 1 0 KIAFMO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl ZINC000096900079 562796746 /nfs/dbraw/zinc/79/67/46/562796746.db2.gz MWISVEFCAQRLQT-YYULODDRSA-N 1 1 521.061 4.325 1 0 KIAFMO C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl ZINC000096900079 562796745 /nfs/dbraw/zinc/79/67/45/562796745.db2.gz MWISVEFCAQRLQT-YYULODDRSA-N 1 1 521.061 4.325 1 0 KIAFMO C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl ZINC000096900080 562796721 /nfs/dbraw/zinc/79/67/21/562796721.db2.gz MWISVEFCAQRLQT-ATLLOTDBSA-N 1 1 521.061 4.325 1 0 KIAFMO C[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl ZINC000096900080 562796720 /nfs/dbraw/zinc/79/67/20/562796720.db2.gz MWISVEFCAQRLQT-ATLLOTDBSA-N 1 1 521.061 4.325 1 0 KIAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cn4cccnc4n3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096901346 562797059 /nfs/dbraw/zinc/79/70/59/562797059.db2.gz ZCJWLLAPYQIIQU-VXQMPNGUSA-N 1 1 505.638 4.407 1 0 KIAFMO CC[N@H+]1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OCc7ccccc7)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H]([C@H](OC(C)=O)[C@@H]32)[C@@H]14 ZINC000096904615 562798442 /nfs/dbraw/zinc/79/84/42/562798442.db2.gz MPZNHEHDGYFENJ-SLHJZNNKSA-N 1 1 553.740 4.325 1 0 KIAFMO C[N@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CCN3CCC[C@@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000096909793 562799750 /nfs/dbraw/zinc/79/97/50/562799750.db2.gz UTOMVINEBKPXSA-HHHXNRCGSA-N 1 1 547.659 4.414 1 0 KIAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000096913926 562800531 /nfs/dbraw/zinc/80/05/31/562800531.db2.gz AWRVVRARKGOIRR-HHHXNRCGSA-N 1 1 545.680 4.212 1 0 KIAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000096913926 562800530 /nfs/dbraw/zinc/80/05/30/562800530.db2.gz AWRVVRARKGOIRR-HHHXNRCGSA-N 1 1 545.680 4.212 1 0 KIAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000096913927 562800547 /nfs/dbraw/zinc/80/05/47/562800547.db2.gz AWRVVRARKGOIRR-MHZLTWQESA-N 1 1 545.680 4.212 1 0 KIAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000096913927 562800546 /nfs/dbraw/zinc/80/05/46/562800546.db2.gz AWRVVRARKGOIRR-MHZLTWQESA-N 1 1 545.680 4.212 1 0 KIAFMO O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccccc1 ZINC000096914872 562800886 /nfs/dbraw/zinc/80/08/86/562800886.db2.gz NFBCUHVMOJLQOL-IZZNHLLZSA-N 1 1 503.002 4.339 1 0 KIAFMO O=C(N[C@@H](c1ccccc1)[C@@H](O)C(=O)NCc1cn(CCCNc2cc[nH+]c3cc(Cl)ccc23)nn1)c1ccccc1 ZINC000096914877 562800891 /nfs/dbraw/zinc/80/08/91/562800891.db2.gz ZFZPIOHPMQPDPZ-URLMMPGGSA-N 1 1 584.080 4.130 1 0 KIAFMO CN1CC[NH+](C23C[C@@H](NC(=O)CN4CCCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921594 562801484 /nfs/dbraw/zinc/80/14/84/562801484.db2.gz ZKNKOWOWSYGTCT-GJTYJFQVSA-N 1 1 500.731 4.325 1 0 KIAFMO COc1ccc(-n2nnc(CC[C@H](O)CN3c4ccccc4Sc4ccc(NCC[NH+]5CCOCC5)cc43)n2)cc1 ZINC000096922259 562801776 /nfs/dbraw/zinc/80/17/76/562801776.db2.gz LBQCVOIEKMYCHV-DEOSSOPVSA-N 1 1 573.723 4.011 1 0 KIAFMO COc1ccc(-n2nnc(CC[C@@H](O)CN3c4ccccc4Sc4ccc(NCC[NH+]5CCOCC5)cc43)n2)cc1 ZINC000096922260 562801766 /nfs/dbraw/zinc/80/17/66/562801766.db2.gz LBQCVOIEKMYCHV-XMMPIXPASA-N 1 1 573.723 4.011 1 0 KIAFMO O=C(Nc1ccccc1)[C@@H]1N(Cc2ccccc2)[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@H+](CC2CC2)CC[C@]513 ZINC000096924005 562802234 /nfs/dbraw/zinc/80/22/34/562802234.db2.gz KDJYGWLAKIVIFJ-UBVZOJDOSA-N 1 1 563.698 4.218 1 0 KIAFMO CCOc1ccc(C(=O)Nc2nccc(-c3cccnc3)n2)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000096928318 562802818 /nfs/dbraw/zinc/80/28/18/562802818.db2.gz ZXLIMBKLTQCSQI-UHFFFAOYSA-N 1 1 551.651 4.189 1 0 KIAFMO CCOC(=O)Cn1c2cc(Cl)ccc2n(C2CC[NH+]([C@@H]3CCc4cc(OC)c(OC)cc43)CC2)c1=O ZINC000096933799 562803710 /nfs/dbraw/zinc/80/37/10/562803710.db2.gz VZFFKWCIVDCROW-OAQYLSRUSA-N 1 1 514.022 4.361 1 0 KIAFMO CCOC(=O)Cn1c2cc(Cl)ccc2n(C2CC[NH+]([C@H]3CCc4cc(OC)c(OC)cc43)CC2)c1=O ZINC000096933800 562803693 /nfs/dbraw/zinc/80/36/93/562803693.db2.gz VZFFKWCIVDCROW-NRFANRHFSA-N 1 1 514.022 4.361 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH+]3CCN(c5ccc(F)cc5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000096938877 562804589 /nfs/dbraw/zinc/80/45/89/562804589.db2.gz WLCWMVXXIBKYCW-ALMBTRMVSA-N 1 1 562.594 4.075 1 0 KIAFMO O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2ncccn2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939816 562804794 /nfs/dbraw/zinc/80/47/94/562804794.db2.gz BREZHRBOBHLMLZ-OAQYLSRUSA-N 1 1 509.941 4.292 1 0 KIAFMO O=C1C(CC(F)(F)F)=C[C@](O)(CSc2ncccn2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939818 562804825 /nfs/dbraw/zinc/80/48/25/562804825.db2.gz BREZHRBOBHLMLZ-NRFANRHFSA-N 1 1 509.941 4.292 1 0 KIAFMO O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2cccc[n+]2[O-])N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939820 562804829 /nfs/dbraw/zinc/80/48/29/562804829.db2.gz RFIXJROEMLFKPF-JOCHJYFZSA-N 1 1 524.952 4.135 1 0 KIAFMO O=C1C(CC(F)(F)F)=C[C@](O)(CSc2cccc[n+]2[O-])N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939822 562804803 /nfs/dbraw/zinc/80/48/03/562804803.db2.gz RFIXJROEMLFKPF-QFIPXVFZSA-N 1 1 524.952 4.135 1 0 KIAFMO CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(C)CN(C7)c7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000096940553 562804981 /nfs/dbraw/zinc/80/49/81/562804981.db2.gz IXFJHGMADBUPEO-KMYMPCDISA-N 1 1 750.893 4.368 1 0 KIAFMO CCC(=O)CCCCC[C@H](NC(=O)CCN1CC[NH+](C)CC1)c1nc(-c2cc(OC)c3ccccc3n2)c[nH]1 ZINC000096941672 562805034 /nfs/dbraw/zinc/80/50/34/562805034.db2.gz LQCSGNNVJRMNMX-VWLOTQADSA-N 1 1 534.705 4.358 1 0 KIAFMO O=C(Nc1ccncc1)c1cccc2[nH]c3c(ncnc3N3CC[NH+](CCc4ccc(F)c(F)c4)CC3)c21 ZINC000100015626 562806123 /nfs/dbraw/zinc/80/61/23/562806123.db2.gz LOMAQVXHXWZILY-UHFFFAOYSA-N 1 1 513.552 4.353 1 0 KIAFMO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000100043252 562806384 /nfs/dbraw/zinc/80/63/84/562806384.db2.gz VLOYTQPFWGGMKU-SLPYKNDMSA-N 1 1 591.709 4.450 1 0 in-vivo KIAFMO Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@H]2C[C@H]3C[N@@H+](C[C@H](O)c4ccccc4)C[C@H]3C2)c1 ZINC000101322148 562810317 /nfs/dbraw/zinc/81/03/17/562810317.db2.gz KYCWFOMNQICMSP-LNEBKTTKSA-N 1 1 528.575 4.405 1 0 KIAFMO Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@H]2C[C@H]3C[N@@H+](C[C@@H](O)c4ccccc4)C[C@H]3C2)c1 ZINC000101322151 562810315 /nfs/dbraw/zinc/81/03/15/562810315.db2.gz KYCWFOMNQICMSP-ZGXDEKTJSA-N 1 1 528.575 4.405 1 0 KIAFMO CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(CC[NH+](C)C)S(C)(=O)=O)cc1)c1ccccc1 ZINC000101372820 562810461 /nfs/dbraw/zinc/81/04/61/562810461.db2.gz DJQVUYJBUCHJDH-DQSJHHFOSA-N 1 1 561.708 4.039 1 0 KIAFMO CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)C[NH+](C)C)cc1)c1ccccc1 ZINC000101372862 562810419 /nfs/dbraw/zinc/81/04/19/562810419.db2.gz CTCRBAORDBWNPN-DQSJHHFOSA-N 1 1 511.626 4.235 1 0 KIAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c3ccc(Cl)cc3)CC1)C2 ZINC000101641446 562811468 /nfs/dbraw/zinc/81/14/68/562811468.db2.gz YHMAMSIULQZZNV-UEQSERJNSA-N 1 1 500.470 4.494 1 0 KIAFMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696547 562811943 /nfs/dbraw/zinc/81/19/43/562811943.db2.gz QPJUVRIRYLMERM-UHFFFAOYSA-N 1 1 598.725 4.213 1 0 KIAFMO C[N@@H+](CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21)CC(N)=O ZINC000101696604 562811931 /nfs/dbraw/zinc/81/19/31/562811931.db2.gz YXZLCEFHCSRWAR-UHFFFAOYSA-N 1 1 543.645 4.460 1 0 KIAFMO C[N@H+](CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21)CC(N)=O ZINC000101696604 562811930 /nfs/dbraw/zinc/81/19/30/562811930.db2.gz YXZLCEFHCSRWAR-UHFFFAOYSA-N 1 1 543.645 4.460 1 0 KIAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCCC[N@H+]2CCC[C@@H]2C(N)=O)c1=O ZINC000101756737 562812082 /nfs/dbraw/zinc/81/20/82/562812082.db2.gz WYNXEKYLFMUSEO-GFQWBHFJSA-N 1 1 549.760 4.208 1 0 KIAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCCCCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1=O ZINC000101756737 562812081 /nfs/dbraw/zinc/81/20/81/562812081.db2.gz WYNXEKYLFMUSEO-GFQWBHFJSA-N 1 1 549.760 4.208 1 0 KIAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCCCN2CCN(S(C)(=O)=O)CC2)c1=O ZINC000101799388 562812136 /nfs/dbraw/zinc/81/21/36/562812136.db2.gz KAOSIRKPPAYQML-PKQPGRETSA-N 1 1 613.869 4.225 1 0 KIAFMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000101890873 562812345 /nfs/dbraw/zinc/81/23/45/562812345.db2.gz RLZMJMCIKMQGOW-UHFFFAOYSA-N 1 1 507.063 4.407 1 0 KIAFMO COc1cc(C=C2C[N@@H+](C)CC3=C2Nc2nc(SC)[nH]c(=O)c2[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103097582 562814315 /nfs/dbraw/zinc/81/43/15/562814315.db2.gz NTWNFVKIPIOAEO-AVQBUJNVSA-N 1 1 608.717 4.384 1 0 KIAFMO COc1cc(C=C2C[N@@H+](C)CC3=C2Nc2nc(SC)[nH]c(=O)c2[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000103097585 562814312 /nfs/dbraw/zinc/81/43/12/562814312.db2.gz NTWNFVKIPIOAEO-CIOPSUNISA-N 1 1 608.717 4.384 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(Br)cc3)c3ccccc3c2=O)CC1 ZINC000103189304 562815607 /nfs/dbraw/zinc/81/56/07/562815607.db2.gz LVEVKLIMPQWTRA-QFIPXVFZSA-N 1 1 549.469 4.018 1 0 KIAFMO COc1ccccc1N1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(Br)cc3)c3ccccc3c2=O)CC1 ZINC000103189307 562815596 /nfs/dbraw/zinc/81/55/96/562815596.db2.gz LVEVKLIMPQWTRA-JOCHJYFZSA-N 1 1 549.469 4.018 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(Br)cc3)c3ccccc3c2=O)CC1 ZINC000103189420 562815627 /nfs/dbraw/zinc/81/56/27/562815627.db2.gz PPMRNRGMVOGSJL-QHCPKHFHSA-N 1 1 563.496 4.408 1 0 KIAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(Br)cc3)c3ccccc3c2=O)CC1 ZINC000103189424 562815655 /nfs/dbraw/zinc/81/56/55/562815655.db2.gz PPMRNRGMVOGSJL-HSZRJFAPSA-N 1 1 563.496 4.408 1 0 KIAFMO C[NH+]1CCN(c2nc(Oc3cccc4cccnc43)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)CC1 ZINC000103216502 562817125 /nfs/dbraw/zinc/81/71/25/562817125.db2.gz PZJSEBRCPZMRPB-UHFFFAOYSA-N 1 1 566.603 4.272 1 0 KIAFMO CCO[C@@H]1C[N@H+]([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc(C(F)(F)F)c1 ZINC000103217770 562817231 /nfs/dbraw/zinc/81/72/31/562817231.db2.gz ONKCEKXCTHHULI-MGDJTOPQSA-N 1 1 576.612 4.433 1 0 KIAFMO CC(=O)N1CCc2nc(C)n([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4CC[C@@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000103224993 562817621 /nfs/dbraw/zinc/81/76/21/562817621.db2.gz LKWMJYRYMBSDDR-QUAHOIDUSA-N 1 1 575.779 4.416 1 0 KIAFMO CC(=O)N1CCc2nc(C)n([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)c2C1 ZINC000103224995 562817682 /nfs/dbraw/zinc/81/76/82/562817682.db2.gz LKWMJYRYMBSDDR-GKQHHHCTSA-N 1 1 575.779 4.416 1 0 KIAFMO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCn1nc(C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000103225008 562817666 /nfs/dbraw/zinc/81/76/66/562817666.db2.gz XPDKHWGJPIAGSI-BKFWDETESA-N 1 1 588.778 4.369 1 0 KIAFMO CCN(CC)c1ccc2cc(C(=O)NCCOc3cccc4c(C(=O)N[C@@H]5C[C@H]6CCC[C@@H](C5)[N@@H+]6C)nn(C)c43)c(=O)oc2c1 ZINC000103225009 562817673 /nfs/dbraw/zinc/81/76/73/562817673.db2.gz KKQAFQIZABQOOY-JOZNFPNDSA-N 1 1 614.747 4.080 1 0 KIAFMO CCN(CC)c1ccc2cc(C(=O)NCCCOc3cccc4c(C(=O)N[C@H]5C[C@H]6CCC[C@@H](C5)[N@@H+]6C)nn(C)c43)c(=O)oc2c1 ZINC000103225013 562817642 /nfs/dbraw/zinc/81/76/42/562817642.db2.gz STOPSEQYAMSLCO-QEIWAGNOSA-N 1 1 628.774 4.470 1 0 KIAFMO CN1CCN(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc3cc(F)ccc3c2)CC1 ZINC000103231427 562818279 /nfs/dbraw/zinc/81/82/79/562818279.db2.gz IABLUIXTFBYBAQ-OJXFFNQFSA-N 1 1 514.645 4.292 1 0 KIAFMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(F)ccc2c1)c1ccccc1C(=O)N1CCOCC1 ZINC000103231429 562818269 /nfs/dbraw/zinc/81/82/69/562818269.db2.gz ADTVNUYDDICOCW-PBROBROCSA-N 1 1 501.602 4.377 1 0 KIAFMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(F)ccc2c1)c1cc[n+]([O-])cc1C(=O)N1CCCCC1 ZINC000103234003 562818562 /nfs/dbraw/zinc/81/85/62/562818562.db2.gz SBJLPUIBYIEHFY-PBROBROCSA-N 1 1 516.617 4.164 1 0 KIAFMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 ZINC000103236309 562818853 /nfs/dbraw/zinc/81/88/53/562818853.db2.gz MMTJULYPFBGKQQ-AYBUMRGGSA-N 1 1 546.071 4.158 1 0 KIAFMO Cc1ccc(N2C(=O)[C@@H](NC(=O)C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)[C@H]2/C=C/c2ccccc2)cc1 ZINC000103236320 562818857 /nfs/dbraw/zinc/81/88/57/562818857.db2.gz HXYCFHCTMUDKIC-CFHHOXAGSA-N 1 1 554.050 4.338 1 0 KIAFMO O[C@@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3ccccc3Br)o2)CC1)c1ccc(F)cc1F ZINC000103237341 562818969 /nfs/dbraw/zinc/81/89/69/562818969.db2.gz KUQONXVIGZETKJ-AREMUKBSSA-N 1 1 620.524 4.057 1 0 KIAFMO O[C@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3ccccc3Br)o2)CC1)c1ccc(F)cc1F ZINC000103237344 562818972 /nfs/dbraw/zinc/81/89/72/562818972.db2.gz KUQONXVIGZETKJ-SANMLTNESA-N 1 1 620.524 4.057 1 0 KIAFMO O[C@@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3cccc(Br)c3)o2)CC1)c1ccc(F)cc1F ZINC000103237346 562818977 /nfs/dbraw/zinc/81/89/77/562818977.db2.gz KSXJUMRLPRWWPW-AREMUKBSSA-N 1 1 620.524 4.057 1 0 KIAFMO O[C@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3cccc(Br)c3)o2)CC1)c1ccc(F)cc1F ZINC000103237348 562818989 /nfs/dbraw/zinc/81/89/89/562818989.db2.gz KSXJUMRLPRWWPW-SANMLTNESA-N 1 1 620.524 4.057 1 0 KIAFMO O[C@@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3ccc(Br)cc3)o2)CC1)c1ccc(F)cc1F ZINC000103237350 562818983 /nfs/dbraw/zinc/81/89/83/562818983.db2.gz JVFJIVWOISUBKQ-AREMUKBSSA-N 1 1 620.524 4.057 1 0 KIAFMO O[C@](Cn1cncn1)(CN1CC[NH+](CCCSc2nnc(-c3ccc(Br)cc3)o2)CC1)c1ccc(F)cc1F ZINC000103237352 562819001 /nfs/dbraw/zinc/81/90/01/562819001.db2.gz JVFJIVWOISUBKQ-SANMLTNESA-N 1 1 620.524 4.057 1 0 KIAFMO CCC[N@@H+](CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000103253173 562820458 /nfs/dbraw/zinc/82/04/58/562820458.db2.gz STHBEDQEROPZSH-RUZDIDTESA-N 1 1 503.716 4.420 1 0 KIAFMO CCC[N@@H+](CCN1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000103253175 562820476 /nfs/dbraw/zinc/82/04/76/562820476.db2.gz STHBEDQEROPZSH-VWLOTQADSA-N 1 1 503.716 4.420 1 0 KIAFMO C[NH+]1CCN(C(=O)Nc2cc3c(cc2O[C@H]2CCOC2)ncnc3Nc2ccc(F)c(Cl)c2)CC1 ZINC000103253651 562820550 /nfs/dbraw/zinc/82/05/50/562820550.db2.gz MLQHINYGKQJJHD-INIZCTEOSA-N 1 1 500.962 4.113 1 0 KIAFMO CC[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266152 562822190 /nfs/dbraw/zinc/82/21/90/562822190.db2.gz FAHWZKRRVQTVKR-IBGZPJMESA-N 1 1 519.456 4.273 1 0 KIAFMO CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000103266165 562822196 /nfs/dbraw/zinc/82/21/96/562822196.db2.gz TZQOPZGWEWCZJX-IBGZPJMESA-N 1 1 531.492 4.289 1 0 KIAFMO CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000103266165 562822195 /nfs/dbraw/zinc/82/21/95/562822195.db2.gz TZQOPZGWEWCZJX-IBGZPJMESA-N 1 1 531.492 4.289 1 0 KIAFMO CCNc1nnc(-c2cnc(N3C[C@H](CC)[N@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(C(F)(F)F)n2)o1 ZINC000103266227 562822249 /nfs/dbraw/zinc/82/22/49/562822249.db2.gz SGVFDERDUYGIFF-CVEARBPZSA-N 1 1 623.084 4.202 1 0 KIAFMO CCNc1nnc(-c2cnc(N3CC[N@H+](C4CCN(C(=O)c5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1 ZINC000103266232 562822258 /nfs/dbraw/zinc/82/22/58/562822258.db2.gz SJHKZUZRGBEPFZ-NRFANRHFSA-N 1 1 539.084 4.126 1 0 KIAFMO CC[C@H]1CN(c2ncc(-c3nnc(NC)o3)nc2C)[C@H](C)C[N@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266241 562822246 /nfs/dbraw/zinc/82/22/46/562822246.db2.gz FAYGVZCNVVTEKX-UTKZUKDTSA-N 1 1 539.084 4.124 1 0 KIAFMO CC[C@H]1CN(c2ncc(-c3ncc[nH]3)nc2C)[C@H](C)C[N@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000103266248 562822303 /nfs/dbraw/zinc/82/23/03/562822303.db2.gz PYJUYNXEXBHJIC-GCJKJVERSA-N 1 1 508.070 4.422 1 0 KIAFMO COc1ccc(N(CCN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC000103279167 562823380 /nfs/dbraw/zinc/82/33/80/562823380.db2.gz WWGDJRHSGVLOJZ-SSEXGKCCSA-N 1 1 593.153 4.323 1 0 KIAFMO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)c(Cl)c4)ncc3CN(c3ccccc3)C2=O)C1 ZINC000103285410 562823787 /nfs/dbraw/zinc/82/37/87/562823787.db2.gz FQHRBBXIMFSJRB-DEOSSOPVSA-N 1 1 573.101 4.359 1 0 KIAFMO CCS(=O)(=O)Nc1ccc2c(c1)C(=C(Nc1ccc(C[NH+]3CCOCC3)cc1)c1ccccc1)C(=O)N2 ZINC000103298326 562824775 /nfs/dbraw/zinc/82/47/75/562824775.db2.gz WYQFMWFSCFEVQD-RQZHXJHFSA-N 1 1 518.639 4.213 1 0 KIAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3C[C@@H]4CCC5=CC[C@H](C)C[C@@H]5[C@]4(O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@@H+]34 ZINC000103573116 560051989 /nfs/dbraw/zinc/05/19/89/560051989.db2.gz GRGSAVVSXYKKFW-GLXARPBHSA-N 1 1 523.670 4.327 1 0 biogenic,in-vitro KIAFMO CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[C@H](c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O ZINC000103576907 291834489 /nfs/dbraw/zinc/83/44/89/291834489.db2.gz GVFKEVFAPIUOAI-NOPNKSRESA-N 1 1 568.718 4.096 1 0 biogenic,in-vitro KIAFMO NC(=O)c1cc(-c2ccc(OCC[N@H+]3CCCOCC3)c(Cl)c2)nc2c3ccc(N4CCOCC4)cc3[nH]c21 ZINC000113199429 562826373 /nfs/dbraw/zinc/82/63/73/562826373.db2.gz GFSSKROSRDYFCF-UHFFFAOYSA-N 1 1 550.059 4.073 1 0 KIAFMO NC(=O)c1cc(-c2ccc(OCC[N@@H+]3CCCOCC3)c(Cl)c2)nc2c3ccc(N4CCOCC4)cc3[nH]c21 ZINC000113199429 562826372 /nfs/dbraw/zinc/82/63/72/562826372.db2.gz GFSSKROSRDYFCF-UHFFFAOYSA-N 1 1 550.059 4.073 1 0 KIAFMO Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)[C@@H]4CCc5c(N)nccc5C4)[nH]c3Cl)ccc12 ZINC000113724961 562826710 /nfs/dbraw/zinc/82/67/10/562826710.db2.gz ICSJXVUUSDNFIJ-GCJKJVERSA-N 1 1 527.032 4.371 1 0 KIAFMO COc1ccc(-c2nn3c(-c4cnc(N5CC[NH+](C)CC5)c(C(F)(F)F)c4)cnc3s2)cc1OC ZINC000114041138 562827440 /nfs/dbraw/zinc/82/74/40/562827440.db2.gz TYUAFSOVSKDGIB-UHFFFAOYSA-N 1 1 504.538 4.308 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3c2N(C)CC3)CCO1 ZINC000114097435 562827533 /nfs/dbraw/zinc/82/75/33/562827533.db2.gz AHUDDQRIZCYSTB-SANMLTNESA-N 1 1 528.093 4.379 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3c2N(C)CC3)CCO1 ZINC000114097435 562827532 /nfs/dbraw/zinc/82/75/32/562827532.db2.gz AHUDDQRIZCYSTB-SANMLTNESA-N 1 1 528.093 4.379 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3c2N(C)CC3)CCO1 ZINC000114097437 562827556 /nfs/dbraw/zinc/82/75/56/562827556.db2.gz AHUDDQRIZCYSTB-AREMUKBSSA-N 1 1 528.093 4.379 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3c2N(C)CC3)CCO1 ZINC000114097437 562827555 /nfs/dbraw/zinc/82/75/55/562827555.db2.gz AHUDDQRIZCYSTB-AREMUKBSSA-N 1 1 528.093 4.379 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3c2CCN3)CCO1 ZINC000114098796 562827577 /nfs/dbraw/zinc/82/75/77/562827577.db2.gz IWXKVCFQGOWIFS-SANMLTNESA-N 1 1 514.066 4.355 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3c2CCN3)CCO1 ZINC000114098796 562827576 /nfs/dbraw/zinc/82/75/76/562827576.db2.gz IWXKVCFQGOWIFS-SANMLTNESA-N 1 1 514.066 4.355 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3c2CCN3)CCO1 ZINC000114098798 562827536 /nfs/dbraw/zinc/82/75/36/562827536.db2.gz IWXKVCFQGOWIFS-AREMUKBSSA-N 1 1 514.066 4.355 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3c2CCN3)CCO1 ZINC000114098798 562827535 /nfs/dbraw/zinc/82/75/35/562827535.db2.gz IWXKVCFQGOWIFS-AREMUKBSSA-N 1 1 514.066 4.355 1 0 KIAFMO CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000114099613 562827605 /nfs/dbraw/zinc/82/76/05/562827605.db2.gz WIBPEXGUJXJZGV-DEOSSOPVSA-N 1 1 517.464 4.496 1 0 KIAFMO CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000114099613 562827604 /nfs/dbraw/zinc/82/76/04/562827604.db2.gz WIBPEXGUJXJZGV-DEOSSOPVSA-N 1 1 517.464 4.496 1 0 KIAFMO CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000114099615 562827591 /nfs/dbraw/zinc/82/75/91/562827591.db2.gz WIBPEXGUJXJZGV-XMMPIXPASA-N 1 1 517.464 4.496 1 0 KIAFMO CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000114099615 562827590 /nfs/dbraw/zinc/82/75/90/562827590.db2.gz WIBPEXGUJXJZGV-XMMPIXPASA-N 1 1 517.464 4.496 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3c2CCN3C)CCO1 ZINC000114100367 562827692 /nfs/dbraw/zinc/82/76/92/562827692.db2.gz QBDKQBVTGWBLDY-MHZLTWQESA-N 1 1 528.093 4.379 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3c2CCN3C)CCO1 ZINC000114100367 562827691 /nfs/dbraw/zinc/82/76/91/562827691.db2.gz QBDKQBVTGWBLDY-MHZLTWQESA-N 1 1 528.093 4.379 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3c2CCN3C)CCO1 ZINC000114100368 562827748 /nfs/dbraw/zinc/82/77/48/562827748.db2.gz QBDKQBVTGWBLDY-HHHXNRCGSA-N 1 1 528.093 4.379 1 0 KIAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3c2CCN3C)CCO1 ZINC000114100368 562827747 /nfs/dbraw/zinc/82/77/47/562827747.db2.gz QBDKQBVTGWBLDY-HHHXNRCGSA-N 1 1 528.093 4.379 1 0 KIAFMO COc1cccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCC[N@H+]4C[C@@H]2Cc2ccccc2)C3(C)C)c1 ZINC000114179573 562827760 /nfs/dbraw/zinc/82/77/60/562827760.db2.gz QPTXUILVOKMXLI-GOTSBHOMSA-N 1 1 528.657 4.233 1 0 KIAFMO CC1(C)c2[nH]nc(NC(=O)c3ccc4ccncc4n3)c2CN1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000114180994 562827779 /nfs/dbraw/zinc/82/77/79/562827779.db2.gz QBWHEKWORLRTRF-GOTSBHOMSA-N 1 1 550.667 4.167 1 0 KIAFMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3c(F)cccc3C(F)(F)F)n[nH]c2C1(C)C ZINC000114181044 562827793 /nfs/dbraw/zinc/82/77/93/562827793.db2.gz PMJWZOOCPCIFCN-KBPBESRZSA-N 1 1 508.520 4.159 1 0 KIAFMO C[N@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cc5ccccc5o4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000114182399 562827871 /nfs/dbraw/zinc/82/78/71/562827871.db2.gz FQUMCNJMGIFAFK-NRFANRHFSA-N 1 1 512.614 4.438 1 0 KIAFMO C[N@@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cc5ccccc5o4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000114182399 562827870 /nfs/dbraw/zinc/82/78/70/562827870.db2.gz FQUMCNJMGIFAFK-NRFANRHFSA-N 1 1 512.614 4.438 1 0 KIAFMO COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCC[N@H+]4C[C@@H]2Cc2ccccc2)C3(C)C)cc1 ZINC000114183146 562827847 /nfs/dbraw/zinc/82/78/47/562827847.db2.gz YNXUDMVMRCJRGH-GOTSBHOMSA-N 1 1 528.657 4.233 1 0 KIAFMO CC1(C)c2[nH]nc(NC(=O)c3ccccn3)c2CN1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC1CCCCC1 ZINC000114183193 562827862 /nfs/dbraw/zinc/82/78/62/562827862.db2.gz RPSNRFSQCWIJPP-SFTDATJTSA-N 1 1 505.667 4.347 1 0 KIAFMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cc(C(F)(F)F)ccc3F)n[nH]c2C1(C)C ZINC000114183201 562827859 /nfs/dbraw/zinc/82/78/59/562827859.db2.gz HHMOALRLXTVPKK-ZFWWWQNUSA-N 1 1 508.520 4.159 1 0 KIAFMO C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccc(C(F)(F)F)cn4)n[nH]c3C2(C)C)[C@@H](C)C[N@H+]1CC1CCOCC1 ZINC000114184417 562827912 /nfs/dbraw/zinc/82/79/12/562827912.db2.gz KIDSAMBMXNPHKM-SJORKVTESA-N 1 1 563.625 4.068 1 0 KIAFMO COC[C@@H]1CCC[N@H+]1CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1 ZINC000114346810 562828028 /nfs/dbraw/zinc/82/80/28/562828028.db2.gz ZCFAZQHPFMXORF-IBGZPJMESA-N 1 1 517.552 4.239 1 0 KIAFMO Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000114598564 562828318 /nfs/dbraw/zinc/82/83/18/562828318.db2.gz UVIRMXOGFYHFJB-UHFFFAOYSA-N 1 1 504.678 4.449 1 0 KIAFMO O=S(=O)(NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000114599351 562828325 /nfs/dbraw/zinc/82/83/25/562828325.db2.gz PXFNUVRXAKDHRD-UHFFFAOYSA-N 1 1 514.595 4.076 1 0 KIAFMO Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCCC[NH+]1CCN(c2noc3ccccc32)CC1 ZINC000114599869 562828329 /nfs/dbraw/zinc/82/83/29/562828329.db2.gz RJBZCOQIWDMFST-UHFFFAOYSA-N 1 1 502.637 4.371 1 0 KIAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC[N@@H+](CCO)CC2 ZINC000114782573 562828494 /nfs/dbraw/zinc/82/84/94/562828494.db2.gz CADNXFFPEKAFHJ-UHFFFAOYSA-N 1 1 546.093 4.201 1 0 KIAFMO CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)N(c1[nH]cc[nH+]1)CC2 ZINC000114977054 562828520 /nfs/dbraw/zinc/82/85/20/562828520.db2.gz NRWXBSIRGDZNFE-VWLOTQADSA-N 1 1 512.651 4.483 1 0 KIAFMO CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)N(c1[nH]cc[nH+]1)CC2 ZINC000114977057 562828536 /nfs/dbraw/zinc/82/85/36/562828536.db2.gz NRWXBSIRGDZNFE-RUZDIDTESA-N 1 1 512.651 4.483 1 0 KIAFMO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ncc(CN4CC[NH+](C)CC4)[nH]3)c3nccnc23)c1Cl ZINC000115295036 562828814 /nfs/dbraw/zinc/82/88/14/562828814.db2.gz OIOCAEZDOFSWBM-UHFFFAOYSA-N 1 1 556.454 4.344 1 0 KIAFMO CCCc1cc(C[N@@H+](C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 ZINC000115393579 562828862 /nfs/dbraw/zinc/82/88/62/562828862.db2.gz CQEYNOPKCKOTDB-MHZLTWQESA-N 1 1 552.716 4.163 1 0 KIAFMO CCc1cc(-c2noc(-c3cc(C[N@@H+](C)CC(C)C)cc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000115400402 562828904 /nfs/dbraw/zinc/82/89/04/562828904.db2.gz DJBSTIZJYUZLHP-MHZLTWQESA-N 1 1 552.716 4.334 1 0 KIAFMO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)cc(Nc2cc3n(n2)CC[N@@H+](C)C3)c1=O ZINC000116055119 562829219 /nfs/dbraw/zinc/82/92/19/562829219.db2.gz ZNNXETORLLRJSI-UHFFFAOYSA-N 1 1 602.736 4.458 1 0 KIAFMO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)nc(Nc2ccc3c(c2)CC[N@H+](C)C3)c1=O ZINC000116055152 562829206 /nfs/dbraw/zinc/82/92/06/562829206.db2.gz ANHJHQXCTUZJBH-UHFFFAOYSA-N 1 1 582.680 4.151 1 0 KIAFMO CC[N@H+]1CCn2nc(Nc3cc(-c4cc(F)cc(N5CCn6c(cc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)cc2C1 ZINC000116055389 562829197 /nfs/dbraw/zinc/82/91/97/562829197.db2.gz BVGNIMKXVZGQGZ-UHFFFAOYSA-N 1 1 599.711 4.046 1 0 KIAFMO O=S(=O)(CCN1CCCCC1)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117333364 562829718 /nfs/dbraw/zinc/82/97/18/562829718.db2.gz OSYFPOKELPAJRL-HHHXNRCGSA-N 1 1 532.150 4.433 1 0 KIAFMO O=S(=O)(CCN1CCCCC1)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000117333368 562829739 /nfs/dbraw/zinc/82/97/39/562829739.db2.gz OSYFPOKELPAJRL-MHZLTWQESA-N 1 1 532.150 4.433 1 0 KIAFMO Cc1nc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)cs1 ZINC000117878535 562829931 /nfs/dbraw/zinc/82/99/31/562829931.db2.gz RGNZQUHYLTVZAO-UHFFFAOYSA-N 1 1 570.723 4.253 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@H]5CC[N@@H+](C)C5)ccn43)c12 ZINC000117880207 562829884 /nfs/dbraw/zinc/82/98/84/562829884.db2.gz IOENGKMAHFCZTK-QFIPXVFZSA-N 1 1 509.614 4.333 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@@H]5CC[N@@H+](C)C5)ccn43)c12 ZINC000117880215 562829889 /nfs/dbraw/zinc/82/98/89/562829889.db2.gz IOENGKMAHFCZTK-JOCHJYFZSA-N 1 1 509.614 4.333 1 0 KIAFMO Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)n1 ZINC000117881818 562829915 /nfs/dbraw/zinc/82/99/15/562829915.db2.gz JUPOTOIJLKDAPF-UHFFFAOYSA-N 1 1 564.694 4.192 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CC[NH+]5CCN(C)CC5)ccn43)c12 ZINC000117883430 562829908 /nfs/dbraw/zinc/82/99/08/562829908.db2.gz DOTOQJJAWOWHQF-UHFFFAOYSA-N 1 1 536.684 4.040 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@H+]5CC[C@@H](OC)C5)ccn43)c12 ZINC000117883661 562829985 /nfs/dbraw/zinc/82/99/85/562829985.db2.gz BTJQRJYJFRQSRK-XMMPIXPASA-N 1 1 553.667 4.350 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@H+]5CC[C@H](OC)C5)ccn43)c12 ZINC000117883665 562829962 /nfs/dbraw/zinc/82/99/62/562829962.db2.gz BTJQRJYJFRQSRK-DEOSSOPVSA-N 1 1 553.667 4.350 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CCCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117885375 562829995 /nfs/dbraw/zinc/82/99/95/562829995.db2.gz CFVIPSXMZCYEBV-UHFFFAOYSA-N 1 1 550.711 4.430 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnc6n5CC[NH2+]C6)ccn43)c12 ZINC000117888961 562829947 /nfs/dbraw/zinc/82/99/47/562829947.db2.gz PDCHDFDIHIMEBF-UHFFFAOYSA-N 1 1 531.624 4.217 1 0 KIAFMO CN1CC[NH+](CCOc2ccn3c(c2)ncc3C(=O)Nc2cccc3c2c(C2CC2)nn3Cc2ccc(F)cn2)CC1 ZINC000117891927 562830045 /nfs/dbraw/zinc/83/00/45/562830045.db2.gz KTGGFOCXWFDAII-UHFFFAOYSA-N 1 1 568.657 4.022 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC(F)(F)C[NH3+])ccn43)c12 ZINC000117893837 562830040 /nfs/dbraw/zinc/83/00/40/562830040.db2.gz CFIIFDUJSFTZCM-UHFFFAOYSA-N 1 1 519.556 4.223 1 0 KIAFMO CC(C)n1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)n1 ZINC000117895820 562830048 /nfs/dbraw/zinc/83/00/48/562830048.db2.gz OTOOTNLPTXHFGT-UHFFFAOYSA-N 1 1 581.725 4.266 1 0 KIAFMO Cc1ccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)cn1 ZINC000117895974 562830010 /nfs/dbraw/zinc/83/00/10/562830010.db2.gz KNUUYJCYOBIOEC-UHFFFAOYSA-N 1 1 564.694 4.192 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@@H+]5C[C@H]6CC[C@@H](C5)N6C)ccn43)c12 ZINC000117896276 562830004 /nfs/dbraw/zinc/83/00/04/562830004.db2.gz RZVNZCHZRAAISG-PLQXJYEYSA-N 1 1 578.721 4.408 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC[N@H+]5C[C@H]6CC[C@@H](C5)N6C)ccn43)c12 ZINC000117896276 562830003 /nfs/dbraw/zinc/83/00/03/562830003.db2.gz RZVNZCHZRAAISG-PLQXJYEYSA-N 1 1 578.721 4.408 1 0 KIAFMO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5C[C@H]6CC[C@@H](C5)[N@@H+]6C)ccn43)c12 ZINC000117896276 562830002 /nfs/dbraw/zinc/83/00/02/562830002.db2.gz RZVNZCHZRAAISG-PLQXJYEYSA-N 1 1 578.721 4.408 1 0 KIAFMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(c1ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc1)C(=O)C2 ZINC000118582885 562830359 /nfs/dbraw/zinc/83/03/59/562830359.db2.gz ZHVBXFKYWPNMKT-GGAORHGYSA-N 1 1 530.677 4.365 1 0 KIAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[N@H+](Cc6ccccc6)C[C@H](C4)O5)cn3)nc2n1C1CCCC1 ZINC000118589987 562830399 /nfs/dbraw/zinc/83/03/99/562830399.db2.gz DAWYEQMUEUOGPC-MKPDMIMOSA-N 1 1 594.720 4.112 1 0 KIAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[N@@H+](Cc6ccccc6)C[C@H](C4)O5)cn3)nc2n1C1CCCC1 ZINC000118589987 562830398 /nfs/dbraw/zinc/83/03/98/562830398.db2.gz DAWYEQMUEUOGPC-MKPDMIMOSA-N 1 1 594.720 4.112 1 0 KIAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5C[N@@H+](C)C[C@@H]5CC4=O)cn3)nc2n1C1CCCCCC1 ZINC000118590218 562830416 /nfs/dbraw/zinc/83/04/16/562830416.db2.gz QHKSOUNRROAMGU-SFTDATJTSA-N 1 1 530.677 4.082 1 0 KIAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@]5(CCC[N@@H+](C)CC5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000118593957 562830437 /nfs/dbraw/zinc/83/04/37/562830437.db2.gz ALPLOEBOODOLJY-NDEPHWFRSA-N 1 1 532.649 4.198 1 0 KIAFMO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@]5(CCC[N@@H+](C)CC5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000118593959 562830450 /nfs/dbraw/zinc/83/04/50/562830450.db2.gz ALPLOEBOODOLJY-MUUNZHRXSA-N 1 1 532.649 4.198 1 0 KIAFMO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000136093290 562831126 /nfs/dbraw/zinc/83/11/26/562831126.db2.gz ALWTVFUIPPAQBH-ACHIHNKUSA-N 1 1 612.771 4.189 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000136839930 562831264 /nfs/dbraw/zinc/83/12/64/562831264.db2.gz TZZRRBGCPAKVFR-NUCXGXCTSA-N 1 1 632.850 4.089 1 0 KIAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000136839984 562831272 /nfs/dbraw/zinc/83/12/72/562831272.db2.gz TZZRRBGCPAKVFR-NHRCJCGTSA-N 1 1 632.850 4.089 1 0 KIAFMO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC[N@H+]1CC2(CC2)C2(C1)OCCO2 ZINC000137136675 562831367 /nfs/dbraw/zinc/83/13/67/562831367.db2.gz OXWUWXCJDBRCCG-UHFFFAOYSA-N 1 1 500.958 4.392 1 0 in-man KIAFMO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC[N@@H+]1CC2(CC2)C2(C1)OCCO2 ZINC000137136675 562831366 /nfs/dbraw/zinc/83/13/66/562831366.db2.gz OXWUWXCJDBRCCG-UHFFFAOYSA-N 1 1 500.958 4.392 1 0 in-man KIAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138456492 562831850 /nfs/dbraw/zinc/83/18/50/562831850.db2.gz JQMJRYSPUROXJB-MOPGFXCFSA-N 1 1 588.562 4.398 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138456492 562831849 /nfs/dbraw/zinc/83/18/49/562831849.db2.gz JQMJRYSPUROXJB-MOPGFXCFSA-N 1 1 588.562 4.398 1 0 KIAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CC[NH+](CCO)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960288 562832260 /nfs/dbraw/zinc/83/22/60/562832260.db2.gz JXVHQHBMOSSYBX-PMERELPUSA-N 1 1 549.679 4.440 1 0 KIAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3N2CC[NH+](CCO)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960392 562832247 /nfs/dbraw/zinc/83/22/47/562832247.db2.gz JXVHQHBMOSSYBX-SSEXGKCCSA-N 1 1 549.679 4.440 1 0 KIAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CC[NH+](C)CC2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000138960747 562832262 /nfs/dbraw/zinc/83/22/62/562832262.db2.gz IQOAIXAFDYRGNK-NDEPHWFRSA-N 1 1 520.641 4.473 1 0 KIAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3N2CC[NH+](C)CC2)cc1Nc1nccc(-c2cncnc2)n1 ZINC000138960882 562832233 /nfs/dbraw/zinc/83/22/33/562832233.db2.gz IQOAIXAFDYRGNK-MUUNZHRXSA-N 1 1 520.641 4.473 1 0 KIAFMO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@H+](C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2cccnc2s1 ZINC000139324489 562832417 /nfs/dbraw/zinc/83/24/17/562832417.db2.gz VAGVVMNSGHHXHT-UHFFFAOYSA-N 1 1 530.589 4.132 1 0 KIAFMO CN(CC[N@@H+](CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2C)Cc1ccncc1)C(=O)c1ccccc1 ZINC000139536362 562832574 /nfs/dbraw/zinc/83/25/74/562832574.db2.gz RPDYYOMCLHMHDO-UHFFFAOYSA-N 1 1 557.695 4.090 1 0 KIAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4occc4c3=O)Cc3cccnc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139580816 562832624 /nfs/dbraw/zinc/83/26/24/562832624.db2.gz CVPXSNZJVBVYFQ-UHFFFAOYSA-N 1 1 571.678 4.316 1 0 KIAFMO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@H+](C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ncccc2s1 ZINC000139592004 562832662 /nfs/dbraw/zinc/83/26/62/562832662.db2.gz KTOBNTQUYIOYAS-UHFFFAOYSA-N 1 1 530.589 4.132 1 0 KIAFMO C[N@H+]1CCn2nc(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6ccccc6s5)c4)n[nH]c3=O)cc2C1 ZINC000139938674 562832829 /nfs/dbraw/zinc/83/28/29/562832829.db2.gz JVLVRAOLALOEGX-UHFFFAOYSA-N 1 1 515.574 4.429 1 0 KIAFMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(N3CCC4(CCN(S(=O)(=O)c5ccccc5)CC4)C3=O)cc2)CC1 ZINC000140533544 562833130 /nfs/dbraw/zinc/83/31/30/562833130.db2.gz JYGAXAVLOAJTOP-DEOSSOPVSA-N 1 1 536.742 4.348 1 0 KIAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CC[NH+](C)CC5)nc34)c2)cc1C(F)(F)F ZINC000140565955 562833173 /nfs/dbraw/zinc/83/31/73/562833173.db2.gz QRIHBFHCELCXST-UHFFFAOYSA-N 1 1 567.576 4.086 1 0 KIAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[N@H+](C)CC3)nc12 ZINC000140566340 562833199 /nfs/dbraw/zinc/83/31/99/562833199.db2.gz WZWPMUMDPQTZGW-UHFFFAOYSA-N 1 1 551.577 4.467 1 0 KIAFMO C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)C5CCOCC5)CC4)C3=O)c(F)c2)C1 ZINC000140605043 562833219 /nfs/dbraw/zinc/83/32/19/562833219.db2.gz ICTMQFIKZRATLG-DHLKQENFSA-N 1 1 526.697 4.051 1 0 KIAFMO C[C@H]1CCCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(S(=O)(=O)c5ccc(F)cc5)CC4)C3=O)cc2)C1 ZINC000140652575 562833210 /nfs/dbraw/zinc/83/32/10/562833210.db2.gz FAQKUKDPVKOSEV-HOFKKMOUSA-N 1 1 554.732 4.487 1 0 KIAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 ZINC000140655324 562833234 /nfs/dbraw/zinc/83/32/34/562833234.db2.gz CZDOCIIKDNPQOO-AWDZXFJFSA-N 1 1 577.685 4.266 1 0 KIAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 ZINC000141064420 562833456 /nfs/dbraw/zinc/83/34/56/562833456.db2.gz OGYMZMABCUKWQD-TWFMJERGSA-N 1 1 533.779 4.016 1 0 KIAFMO CC[NH+]1CCC(CN2C[C@@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6nc[nH]n6)c(F)c5)c4n3)C2=O)CC1 ZINC000141224071 562833519 /nfs/dbraw/zinc/83/35/19/562833519.db2.gz QMKVCZDJHJYTJZ-DEOSSOPVSA-N 1 1 531.640 4.319 1 0 KIAFMO CC[NH+]1CCC(CN2C[C@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6nc[nH]n6)c(F)c5)c4n3)C2=O)CC1 ZINC000141224235 562833523 /nfs/dbraw/zinc/83/35/23/562833523.db2.gz QMKVCZDJHJYTJZ-XMMPIXPASA-N 1 1 531.640 4.319 1 0 KIAFMO O=C(C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000142445060 562834219 /nfs/dbraw/zinc/83/42/19/562834219.db2.gz YIIREBCUCVVAIY-JOCHJYFZSA-N 1 1 537.035 4.461 1 0 KIAFMO O=C(C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccccc3)cc2)CC1 ZINC000142451091 562834202 /nfs/dbraw/zinc/83/42/02/562834202.db2.gz TWFINIJCRDJMKR-HSZRJFAPSA-N 1 1 519.045 4.322 1 0 KIAFMO O=C(C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000142460086 562834206 /nfs/dbraw/zinc/83/42/06/562834206.db2.gz YDUJRZJIOJAZTL-JOCHJYFZSA-N 1 1 537.035 4.461 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000142847145 562834356 /nfs/dbraw/zinc/83/43/56/562834356.db2.gz JQMJRYSPUROXJB-RBUKOAKNSA-N 1 1 588.562 4.398 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000142847145 562834355 /nfs/dbraw/zinc/83/43/55/562834355.db2.gz JQMJRYSPUROXJB-RBUKOAKNSA-N 1 1 588.562 4.398 1 0 KIAFMO COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(N5CC[NH+](C)CC5)n4)o3)nc2s1 ZINC000143144590 562834683 /nfs/dbraw/zinc/83/46/83/562834683.db2.gz LASKSKRPEGVYCU-UHFFFAOYSA-N 1 1 512.617 4.009 1 0 KIAFMO C[N@H+]1Cc2cc(Nc3ncc4c(=O)n(-c5c(F)cccc5Cl)c5nccn5c4n3)ccc2C2(CC2)C1 ZINC000144010716 562835628 /nfs/dbraw/zinc/83/56/28/562835628.db2.gz YFRNHMAIZOCUPR-UHFFFAOYSA-N 1 1 501.953 4.442 1 0 KIAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCc6cccnc6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144188327 562835815 /nfs/dbraw/zinc/83/58/15/562835815.db2.gz PIQKDHWFHBHTDK-UHFFFAOYSA-N 1 1 520.597 4.125 1 0 KIAFMO C[C@@H](O)CC[C@@H](C)Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144191908 562835897 /nfs/dbraw/zinc/83/58/97/562835897.db2.gz ZZZLCIAIOYKCRY-WOJBJXKFSA-N 1 1 529.645 4.079 1 0 KIAFMO C[C@H](CC[C@H](C)O)Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144192106 562835874 /nfs/dbraw/zinc/83/58/74/562835874.db2.gz ZZZLCIAIOYKCRY-VQTJNVASSA-N 1 1 529.645 4.079 1 0 KIAFMO C[C@@H](O)CC[C@H](C)Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144192298 562835907 /nfs/dbraw/zinc/83/59/07/562835907.db2.gz ZZZLCIAIOYKCRY-UXHICEINSA-N 1 1 529.645 4.079 1 0 KIAFMO C[C@H](O)CC[C@H](C)Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144192521 562835866 /nfs/dbraw/zinc/83/58/66/562835866.db2.gz ZZZLCIAIOYKCRY-PMACEKPBSA-N 1 1 529.645 4.079 1 0 KIAFMO CCC[C@@](C)(CO)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144212932 562835939 /nfs/dbraw/zinc/83/59/39/562835939.db2.gz NTEYPFNSXYTCNI-PMERELPUSA-N 1 1 543.672 4.329 1 0 KIAFMO CCC[C@](C)(CO)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1 ZINC000144213135 562835935 /nfs/dbraw/zinc/83/59/35/562835935.db2.gz NTEYPFNSXYTCNI-SSEXGKCCSA-N 1 1 543.672 4.329 1 0 KIAFMO CN(C)CC(=O)N1CCN(C(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)c(F)cc43)[C@H]2c2cccc(Cl)c2)CC1 ZINC000144213996 562835945 /nfs/dbraw/zinc/83/59/45/562835945.db2.gz RWOXESFVJKFUSP-QQZZJUGLSA-N 1 1 618.581 4.115 1 0 KIAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC(C)(F)F)ccn5)n4)ccc3[nH]2)CC1 ZINC000144235841 562835962 /nfs/dbraw/zinc/83/59/62/562835962.db2.gz KPTKGRKSVVHOJC-UHFFFAOYSA-N 1 1 507.545 4.185 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@@H]4CCC[N@H+](C5COC5)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144290066 562836101 /nfs/dbraw/zinc/83/61/01/562836101.db2.gz LDVKGACWPSEWJI-LJQANCHMSA-N 1 1 532.624 4.129 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@@H]4CCC[N@@H+](C5COC5)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144290066 562836100 /nfs/dbraw/zinc/83/61/00/562836100.db2.gz LDVKGACWPSEWJI-LJQANCHMSA-N 1 1 532.624 4.129 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@H]4CCC[N@H+](C5COC5)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144290276 562836104 /nfs/dbraw/zinc/83/61/04/562836104.db2.gz LDVKGACWPSEWJI-IBGZPJMESA-N 1 1 532.624 4.129 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@H]4CCC[N@@H+](C5COC5)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144290276 562836103 /nfs/dbraw/zinc/83/61/03/562836103.db2.gz LDVKGACWPSEWJI-IBGZPJMESA-N 1 1 532.624 4.129 1 0 KIAFMO COCC[N@@H+](C)[C@@H]1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2NC1=O ZINC000144292345 562836079 /nfs/dbraw/zinc/83/60/79/562836079.db2.gz SDABLNRBCHMFIH-NHCUHLMSSA-N 1 1 522.980 4.105 1 0 KIAFMO COCC[N@H+](C)[C@@H]1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2NC1=O ZINC000144292345 562836078 /nfs/dbraw/zinc/83/60/78/562836078.db2.gz SDABLNRBCHMFIH-NHCUHLMSSA-N 1 1 522.980 4.105 1 0 KIAFMO COCC[N@@H+](C)[C@H]1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2NC1=O ZINC000144292566 562836114 /nfs/dbraw/zinc/83/61/14/562836114.db2.gz SDABLNRBCHMFIH-RTWAWAEBSA-N 1 1 522.980 4.105 1 0 KIAFMO COCC[N@H+](C)[C@H]1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2NC1=O ZINC000144292566 562836113 /nfs/dbraw/zinc/83/61/13/562836113.db2.gz SDABLNRBCHMFIH-RTWAWAEBSA-N 1 1 522.980 4.105 1 0 KIAFMO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)N2CCNCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000144384862 562836193 /nfs/dbraw/zinc/83/61/93/562836193.db2.gz BFVJDEREIGXMRB-IDIXZGLXSA-N 1 1 533.475 4.315 1 0 KIAFMO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@H+]4CC[C@@](C)(O)C4)ccn3)c2s1 ZINC000144701437 562836610 /nfs/dbraw/zinc/83/66/10/562836610.db2.gz MCUQIJBJHGAQSI-MUUNZHRXSA-N 1 1 547.685 4.141 1 0 KIAFMO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@H+]4CC[C@](C)(O)C4)ccn3)c2s1 ZINC000144701631 562836626 /nfs/dbraw/zinc/83/66/26/562836626.db2.gz MCUQIJBJHGAQSI-NDEPHWFRSA-N 1 1 547.685 4.141 1 0 KIAFMO CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(C[N@H+]4CC[C@@H](OC)C4)ccn3)c2s1 ZINC000144712414 562836640 /nfs/dbraw/zinc/83/66/40/562836640.db2.gz NEAKHHVTXPOTKB-HXUWFJFHSA-N 1 1 547.685 4.405 1 0 KIAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@@H](CO)c6ccccc6)ccn5)n4)ccc3[nH]2)CC1 ZINC000145263574 562836963 /nfs/dbraw/zinc/83/69/63/562836963.db2.gz PORRSDKCBRIHJL-XMMPIXPASA-N 1 1 563.662 4.306 1 0 KIAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@H](CO)c6ccccc6)ccn5)n4)ccc3[nH]2)CC1 ZINC000145263773 562836965 /nfs/dbraw/zinc/83/69/65/562836965.db2.gz PORRSDKCBRIHJL-DEOSSOPVSA-N 1 1 563.662 4.306 1 0 KIAFMO O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(C[N@H+]4CC5(CCCC5)NC(=O)[C@H]4Cc4ccccc4)nc3cc1C2 ZINC000145288494 562836957 /nfs/dbraw/zinc/83/69/57/562836957.db2.gz FOJKIJVGVRNVIS-SJHOIFEDSA-N 1 1 543.671 4.474 1 0 KIAFMO O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(C[N@H+]4CC5(CCCC5)NC(=O)[C@@H]4Cc4ccccc4)nc3cc1C2 ZINC000145288687 562836938 /nfs/dbraw/zinc/83/69/38/562836938.db2.gz FOJKIJVGVRNVIS-DODOAAEWSA-N 1 1 543.671 4.474 1 0 KIAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCc6ccccc6CO)ccn5)n4)ccc3[nH]2)CC1 ZINC000145294447 562836983 /nfs/dbraw/zinc/83/69/83/562836983.db2.gz AHVBNXGCJWRYCE-UHFFFAOYSA-N 1 1 549.635 4.222 1 0 KIAFMO C[C@@H](Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1)C(F)(F)F ZINC000145299965 562837011 /nfs/dbraw/zinc/83/70/11/562837011.db2.gz AWLRKPOCEDQMQH-MRXNPFEDSA-N 1 1 525.535 4.481 1 0 KIAFMO C[C@H](Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](C)CC5)cc4c3)n2)c1)C(F)(F)F ZINC000145300186 562837004 /nfs/dbraw/zinc/83/70/04/562837004.db2.gz AWLRKPOCEDQMQH-INIZCTEOSA-N 1 1 525.535 4.481 1 0 KIAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@@H]6CC6(F)F)ccn5)n4)ccc3[nH]2)CC1 ZINC000145307667 562836978 /nfs/dbraw/zinc/83/69/78/562836978.db2.gz LQWWETJWRMXSFT-SFHVURJKSA-N 1 1 519.556 4.185 1 0 KIAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@H]6CC6(F)F)ccn5)n4)ccc3[nH]2)CC1 ZINC000145307850 562836980 /nfs/dbraw/zinc/83/69/80/562836980.db2.gz LQWWETJWRMXSFT-GOSISDBHSA-N 1 1 519.556 4.185 1 0 KIAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC(F)(F)F)ccn5)n4)ccc3[nH]2)CC1 ZINC000145316599 562837027 /nfs/dbraw/zinc/83/70/27/562837027.db2.gz RVOWBKGMYKZUEJ-UHFFFAOYSA-N 1 1 511.508 4.092 1 0 KIAFMO Cc1ccc(F)c(NC(=O)Nc2ccc(-c3snc(NCCC[NH+]4CCOCC4)c3C(N)=O)cc2)c1 ZINC000145671557 562837449 /nfs/dbraw/zinc/83/74/49/562837449.db2.gz UCSCCPRUVOVKBL-UHFFFAOYSA-N 1 1 512.611 4.135 1 0 KIAFMO NC(=O)c1c(NC(=O)NCCC[NH+]2CCOCC2)snc1-c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000145702299 562837535 /nfs/dbraw/zinc/83/75/35/562837535.db2.gz JJKVPTCDYLGUKC-UHFFFAOYSA-N 1 1 576.601 4.024 1 0 KIAFMO Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc(NC(=O)NCCC[NH+]4CCOCC4)c3C(N)=O)c(C)c2)c1 ZINC000145710328 562837493 /nfs/dbraw/zinc/83/74/93/562837493.db2.gz NUMNGOVCQDXPSB-UHFFFAOYSA-N 1 1 569.663 4.153 1 0 KIAFMO 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)CC[N@H+]21 ZINC000145734757 562837547 /nfs/dbraw/zinc/83/75/47/562837547.db2.gz DXMLPKPFMBVILL-OPMYFTJMSA-N 1 1 590.523 4.373 1 0 KIAFMO C[C@@H]1C[N@@H+](CC2(c3ccncc3)CCCC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 ZINC000145809351 562837674 /nfs/dbraw/zinc/83/76/74/562837674.db2.gz PTSDYTXQGBOHHD-AUSIDOKSSA-N 1 1 511.610 4.058 1 0 KIAFMO C[C@@H]1C[N@H+](CC2(c3ccncc3)CCCC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 ZINC000145809351 562837673 /nfs/dbraw/zinc/83/76/73/562837673.db2.gz PTSDYTXQGBOHHD-AUSIDOKSSA-N 1 1 511.610 4.058 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000146016022 562837961 /nfs/dbraw/zinc/83/79/61/562837961.db2.gz RVMJPIUXLCRVTH-GOSISDBHSA-N 1 1 586.571 4.381 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146017523 562837986 /nfs/dbraw/zinc/83/79/86/562837986.db2.gz PQBPFKCRSZZIFU-XXBNENTESA-N 1 1 618.588 4.214 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146036502 562837943 /nfs/dbraw/zinc/83/79/43/562837943.db2.gz ARXYMXQMDAUATJ-XXBNENTESA-N 1 1 601.491 4.362 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000146054406 562838041 /nfs/dbraw/zinc/83/80/41/562838041.db2.gz GQXSZFSSIWAPCH-MOPGFXCFSA-N 1 1 588.999 4.103 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(OC)C3)n1 ZINC000146054406 562838040 /nfs/dbraw/zinc/83/80/40/562838040.db2.gz GQXSZFSSIWAPCH-MOPGFXCFSA-N 1 1 588.999 4.103 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146054833 562838044 /nfs/dbraw/zinc/83/80/44/562838044.db2.gz OVTYXGDIOXFYEE-VNJOCVIMSA-N 1 1 599.063 4.409 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000146057218 562838022 /nfs/dbraw/zinc/83/80/22/562838022.db2.gz OVTYXGDIOXFYEE-VEQVNTQVSA-N 1 1 599.063 4.409 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146058676 562838119 /nfs/dbraw/zinc/83/81/19/562838119.db2.gz HKUKKFTZEWKLTB-RBUKOAKNSA-N 1 1 573.000 4.171 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146058676 562838118 /nfs/dbraw/zinc/83/81/18/562838118.db2.gz HKUKKFTZEWKLTB-RBUKOAKNSA-N 1 1 573.000 4.171 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146062325 562838083 /nfs/dbraw/zinc/83/80/83/562838083.db2.gz QXWFIOPKELPUBS-UXHICEINSA-N 1 1 569.037 4.341 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146062325 562838082 /nfs/dbraw/zinc/83/80/82/562838082.db2.gz QXWFIOPKELPUBS-UXHICEINSA-N 1 1 569.037 4.341 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146064159 562838070 /nfs/dbraw/zinc/83/80/70/562838070.db2.gz YGWCSFGSBXAVGM-YKSBVNFPSA-N 1 1 581.073 4.017 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146081453 562838230 /nfs/dbraw/zinc/83/82/30/562838230.db2.gz PQBPFKCRSZZIFU-WMZHIEFXSA-N 1 1 618.588 4.214 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146081667 562838218 /nfs/dbraw/zinc/83/82/18/562838218.db2.gz PQBPFKCRSZZIFU-AUSIDOKSSA-N 1 1 618.588 4.214 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146086319 562838245 /nfs/dbraw/zinc/83/82/45/562838245.db2.gz IDGWFZUSKDDUOU-NZQKXSOJSA-N 1 1 600.598 4.074 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146086513 562838253 /nfs/dbraw/zinc/83/82/53/562838253.db2.gz IDGWFZUSKDDUOU-NFBKMPQASA-N 1 1 600.598 4.074 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@@H]2OC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146088375 562838272 /nfs/dbraw/zinc/83/82/72/562838272.db2.gz IDGWFZUSKDDUOU-REWPJTCUSA-N 1 1 600.598 4.074 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@@H]2OC)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146088807 562838275 /nfs/dbraw/zinc/83/82/75/562838275.db2.gz PQBPFKCRSZZIFU-CVDCTZTESA-N 1 1 618.588 4.214 1 0 KIAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@H]2OC)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146089025 562838297 /nfs/dbraw/zinc/83/82/97/562838297.db2.gz UUYWVIHFKSCUJS-HYBUGGRVSA-N 1 1 614.625 4.383 1 0 KIAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@@H]2OC)c(C)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146094498 562838242 /nfs/dbraw/zinc/83/82/42/562838242.db2.gz UUYWVIHFKSCUJS-RDPSFJRHSA-N 1 1 614.625 4.383 1 0 KIAFMO CNC(=O)[C@@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146348728 562838496 /nfs/dbraw/zinc/83/84/96/562838496.db2.gz JOAJMHFDGZFGAL-JWQCQUIFSA-N 1 1 561.800 4.173 1 0 KIAFMO CNC(=O)[C@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146348926 562838467 /nfs/dbraw/zinc/83/84/67/562838467.db2.gz JOAJMHFDGZFGAL-LOSJGSFVSA-N 1 1 561.800 4.173 1 0 KIAFMO C[N@H+]1CCC[C@@H]1CCOCC1CCN(c2nc(N3CC[C@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000146367607 562838479 /nfs/dbraw/zinc/83/84/79/562838479.db2.gz IICKMCXHTPRSND-BJKOFHAPSA-N 1 1 548.757 4.387 1 0 KIAFMO C[N@H+]1CCC[C@H]1CCOCC1CCN(c2nc(N3CC[C@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000146367804 562838487 /nfs/dbraw/zinc/83/84/87/562838487.db2.gz IICKMCXHTPRSND-ZEQRLZLVSA-N 1 1 548.757 4.387 1 0 KIAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CCCC[C@@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146455809 562838585 /nfs/dbraw/zinc/83/85/85/562838585.db2.gz MFOWDSSKCHODLN-ILBGXUMGSA-N 1 1 547.773 4.055 1 0 KIAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(CN4CCCC4=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146542610 562838695 /nfs/dbraw/zinc/83/86/95/562838695.db2.gz CRRISFAOSAJAFU-HSZRJFAPSA-N 1 1 518.731 4.333 1 0 KIAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(CN4CCCC4=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146542821 562838702 /nfs/dbraw/zinc/83/87/02/562838702.db2.gz CRRISFAOSAJAFU-QHCPKHFHSA-N 1 1 518.731 4.333 1 0 KIAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 ZINC000146776250 562838796 /nfs/dbraw/zinc/83/87/96/562838796.db2.gz GQRNJMIZAVHYCF-MALNDZBISA-N 1 1 559.695 4.127 1 0 KIAFMO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCN2CCC(O)CC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146798053 562838822 /nfs/dbraw/zinc/83/88/22/562838822.db2.gz JONMIQIHZVPUFE-PYOQLBSMSA-N 1 1 591.555 4.456 1 0 KIAFMO C[N@H+]1[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 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CCC(C)(C)C[C@H]1[N@@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000147094661 562839103 /nfs/dbraw/zinc/83/91/03/562839103.db2.gz BMICMZACTKVOBC-SUGRGTCJSA-N 1 1 582.063 4.099 1 0 KIAFMO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCN2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147154131 562839178 /nfs/dbraw/zinc/83/91/78/562839178.db2.gz HQFBGVNJAFEMRY-HXXBZNTPSA-N 1 1 577.528 4.066 1 0 KIAFMO COc1cc2ncnc(Nc3ccc(C(=O)Nc4cc(F)ccc4N)cc3)c2cc1OCCC[NH+]1CCOCC1 ZINC000147263812 562839220 /nfs/dbraw/zinc/83/92/20/562839220.db2.gz ITNCJCMRYNXPRL-UHFFFAOYSA-N 1 1 546.603 4.457 1 0 KIAFMO CC(C)NC(=O)c1sc2ncnc(N3CCC(C[N@@H+](C)[C@@H]4CCN(C)C4)CC3)c2c1-c1ccccc1 ZINC000147707680 562839537 /nfs/dbraw/zinc/83/95/37/562839537.db2.gz DAMOQGBLJYYBIT-JOCHJYFZSA-N 1 1 506.720 4.349 1 0 KIAFMO CC(C)NC(=O)c1sc2ncnc(N3CCC(C[N@@H+](C)[C@H]4CCN(C)C4)CC3)c2c1-c1ccccc1 ZINC000147707907 562839535 /nfs/dbraw/zinc/83/95/35/562839535.db2.gz 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KIAFMO C[NH+]1CCN(c2nc(N)c3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4Cl)c3n2)CC1 ZINC000148034921 562839876 /nfs/dbraw/zinc/83/98/76/562839876.db2.gz DRLORXJONLSGNZ-UHFFFAOYSA-N 1 1 557.968 4.422 1 0 KIAFMO COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[N@@H+](C)CC3)nc12 ZINC000148037561 562839931 /nfs/dbraw/zinc/83/99/31/562839931.db2.gz YJXPLOMWXBIDTM-UHFFFAOYSA-N 1 1 567.576 4.167 1 0 KIAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3CC[N@H+]4CCCC[C@@H]4C3)nc12 ZINC000148041206 562839973 /nfs/dbraw/zinc/83/99/73/562839973.db2.gz CGEJVPBUISVDQS-LJQANCHMSA-N 1 1 555.691 4.001 1 0 KIAFMO COc1cc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CC[NH+](C)CC5)nc34)c2)cc(C(F)(F)F)c1 ZINC000148046134 562839967 /nfs/dbraw/zinc/83/99/67/562839967.db2.gz QQIJAOMJDJDHEM-UHFFFAOYSA-N 1 1 567.576 4.086 1 0 KIAFMO COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3c(N)nc(N4CC[NH+](C)CC4)nc23)c1 ZINC000148046359 562839957 /nfs/dbraw/zinc/83/99/57/562839957.db2.gz ZOLGDKKCTNJFTA-UHFFFAOYSA-N 1 1 555.687 4.364 1 0 KIAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3C[C@H]4C[C@@H]3C[N@@H+]4C)nc12 ZINC000148049685 562840054 /nfs/dbraw/zinc/84/00/54/562840054.db2.gz HPAYREWHZRBBMH-RTBURBONSA-N 1 1 549.561 4.218 1 0 KIAFMO Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C)CC3)nc12 ZINC000148053087 562840006 /nfs/dbraw/zinc/84/00/06/562840006.db2.gz HJIGYVAIFDLTJH-UHFFFAOYSA-N 1 1 525.661 4.356 1 0 KIAFMO C[N@H+]1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccccc4)cc2)c(O)c13 ZINC000148054933 562840044 /nfs/dbraw/zinc/84/00/44/562840044.db2.gz SBFUBWXMWXCLMP-MBYALERHSA-N 1 1 510.634 4.014 1 0 KIAFMO COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148069634 562840072 /nfs/dbraw/zinc/84/00/72/562840072.db2.gz MMYXSUFZRAHHLL-UHFFFAOYSA-N 1 1 568.560 4.204 1 0 KIAFMO COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N5CC[NH+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148073738 562840145 /nfs/dbraw/zinc/84/01/45/562840145.db2.gz RQLQKFMALVRPFP-UHFFFAOYSA-N 1 1 556.524 4.334 1 0 KIAFMO C[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C(F)(F)F)c3n2)CC1 ZINC000148081910 562840182 /nfs/dbraw/zinc/84/01/82/562840182.db2.gz MDSCNYFOBKZPMI-UHFFFAOYSA-N 1 1 555.565 4.472 1 0 KIAFMO C[N@H+]1CCCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4Cl)c3n2)CC1 ZINC000148084771 562840175 /nfs/dbraw/zinc/84/01/75/562840175.db2.gz TZCXPYLFGYVSHZ-UHFFFAOYSA-N 1 1 536.040 4.497 1 0 KIAFMO C[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4Cl)c3n2)CC1 ZINC000148085270 562840148 /nfs/dbraw/zinc/84/01/48/562840148.db2.gz HNKBUVXPCGOGHC-UHFFFAOYSA-N 1 1 522.013 4.106 1 0 KIAFMO CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(NCCC[NH+]5CCOCC5)nc43)c2)no1 ZINC000148087262 562840226 /nfs/dbraw/zinc/84/02/26/562840226.db2.gz UZESIXDDGZBIFE-UHFFFAOYSA-N 1 1 566.066 4.489 1 0 KIAFMO Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148178745 562840447 /nfs/dbraw/zinc/84/04/47/562840447.db2.gz ZHHQEYCHZBWLHP-UHFFFAOYSA-N 1 1 536.562 4.172 1 0 KIAFMO Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148201397 562840534 /nfs/dbraw/zinc/84/05/34/562840534.db2.gz ZTFIIATUOJVARF-UHFFFAOYSA-N 1 1 524.673 4.451 1 0 KIAFMO Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148201877 562840507 /nfs/dbraw/zinc/84/05/07/562840507.db2.gz NEOHBEINHCUURL-UHFFFAOYSA-N 1 1 536.562 4.172 1 0 KIAFMO Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148231803 562840656 /nfs/dbraw/zinc/84/06/56/562840656.db2.gz SAPHDFWTICZZQM-UHFFFAOYSA-N 1 1 537.550 4.280 1 0 KIAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148235414 562840635 /nfs/dbraw/zinc/84/06/35/562840635.db2.gz NPLWNKSSCKQPLU-UHFFFAOYSA-N 1 1 522.535 4.495 1 0 KIAFMO Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148237080 562840638 /nfs/dbraw/zinc/84/06/38/562840638.db2.gz LEXLTEQZMKAAIL-UHFFFAOYSA-N 1 1 538.534 4.375 1 0 KIAFMO Cc1ccc(C(=O)NCc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148239910 562840689 /nfs/dbraw/zinc/84/06/89/562840689.db2.gz XHUVCISKSSPTSF-UHFFFAOYSA-N 1 1 524.673 4.451 1 0 KIAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5ccc(OC)c(C(F)(F)F)c5)ccc4F)c3n2)CC1 ZINC000148279137 562840830 /nfs/dbraw/zinc/84/08/30/562840830.db2.gz RGLGWVHSOICQAJ-UHFFFAOYSA-N 1 1 600.577 4.351 1 0 KIAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCN(C[C@@H]4CCC[N@H+](C)C4)CC3)nc21 ZINC000148316361 562840985 /nfs/dbraw/zinc/84/09/85/562840985.db2.gz PBEBOQYRGLENEI-JOCHJYFZSA-N 1 1 598.756 4.473 1 0 KIAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCN(C[C@H]4CCC[N@H+](C)C4)CC3)nc21 ZINC000148316576 562841023 /nfs/dbraw/zinc/84/10/23/562841023.db2.gz PBEBOQYRGLENEI-QFIPXVFZSA-N 1 1 598.756 4.473 1 0 KIAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CC[N@H+]4CCC[C@@H]4C3)nc21 ZINC000148316811 562841012 /nfs/dbraw/zinc/84/10/12/562841012.db2.gz XJKNXCYTFMXYKH-LJQANCHMSA-N 1 1 527.633 4.294 1 0 KIAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCC([NH+]4CCOCC4)CC3)nc21 ZINC000148318202 562840983 /nfs/dbraw/zinc/84/09/83/562840983.db2.gz XUEDKPDGCZIYTM-UHFFFAOYSA-N 1 1 571.686 4.311 1 0 KIAFMO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)c(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148328715 562841066 /nfs/dbraw/zinc/84/10/66/562841066.db2.gz NBXKKRZQAHBBNW-UHFFFAOYSA-N 1 1 625.631 4.470 1 0 KIAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(NC3CC([NH+]4CCN(C)CC4)C3)nc21 ZINC000148372538 562841183 /nfs/dbraw/zinc/84/11/83/562841183.db2.gz OUEXZLPXQIGVCD-UHFFFAOYSA-N 1 1 570.702 4.200 1 0 KIAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N(C)C3CC([NH+]4CCN(C)CC4)C3)nc21 ZINC000148373152 562841189 /nfs/dbraw/zinc/84/11/89/562841189.db2.gz TYOJYXQFJHAVSF-UHFFFAOYSA-N 1 1 584.729 4.224 1 0 KIAFMO COC1CC[NH+](Cc2cc(Cl)c(F)c(CNC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Nc3cn(C(N)=O)c4ccccc34)c2)CC1 ZINC000148447251 562841330 /nfs/dbraw/zinc/84/13/30/562841330.db2.gz KNLSASNHWQZNFN-CLOONOSVSA-N 1 1 603.070 4.232 1 0 KIAFMO O=C(C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccccc3F)cc2)CC1 ZINC000148737042 562841723 /nfs/dbraw/zinc/84/17/23/562841723.db2.gz PMQZCTFZDGONBS-OAQYLSRUSA-N 1 1 537.035 4.461 1 0 KIAFMO O=C(C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3cccs3)cc2)CC1 ZINC000148737264 562841699 /nfs/dbraw/zinc/84/16/99/562841699.db2.gz IUPWVMNTUIGAKG-HXUWFJFHSA-N 1 1 525.074 4.383 1 0 KIAFMO COc1ccc(-c2ccc(N3CCN(C(=O)C[N@H+]4CC[C@@H](C(=O)Nc5ccc(O)c(Cl)c5)C4)CC3)cc2)cc1 ZINC000148740102 562841743 /nfs/dbraw/zinc/84/17/43/562841743.db2.gz IENGFJPUQKIIMW-HSZRJFAPSA-N 1 1 549.071 4.330 1 0 KIAFMO O=C(C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ccsc3)cc2)CC1 ZINC000148740302 562841711 /nfs/dbraw/zinc/84/17/11/562841711.db2.gz XYFCSVNWTFZYSC-HXUWFJFHSA-N 1 1 525.074 4.383 1 0 KIAFMO CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149121277 562842131 /nfs/dbraw/zinc/84/21/31/562842131.db2.gz FWUOVNKWKBCTHG-ZRZAMGCNSA-N 1 1 570.616 4.441 1 0 KIAFMO C[C@H]1C[N@@H+](CC2CCCC2)CCN1C(=O)N1Cc2c(NC(=O)c3ccc(F)cc3F)n[nH]c2C1(C)C ZINC000149122220 562842144 /nfs/dbraw/zinc/84/21/44/562842144.db2.gz OVDFANHQQBTECZ-INIZCTEOSA-N 1 1 500.594 4.307 1 0 KIAFMO COc1ccccc1Cc1nc2cc(-c3nn([C@H]4CC[C@@H]([NH+]5CCN(C(=O)N(C)C)CC5)CC4)c4ncnc(N)c34)ccc2[nH]1 ZINC000149170088 562842324 /nfs/dbraw/zinc/84/23/24/562842324.db2.gz FHQQNAHMJMQUKJ-RQNOJGIXSA-N 1 1 608.751 4.334 1 0 KIAFMO C[C@H]1c2[nH]nc(NC(=O)c3ccccc3F)c2CN1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000149300423 562842568 /nfs/dbraw/zinc/84/25/68/562842568.db2.gz ZYRDVSKKDYZDTE-JBACZVJFSA-N 1 1 502.594 4.189 1 0 KIAFMO C[C@@H]1c2[nH]nc(NC(=O)c3ccccc3F)c2CN1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000149300634 562842534 /nfs/dbraw/zinc/84/25/34/562842534.db2.gz ZYRDVSKKDYZDTE-GIVPXCGWSA-N 1 1 502.594 4.189 1 0 KIAFMO C#[N+]c1cc(NCC(=O)N[C@H]2C[C@@H](N3CCC(O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 ZINC000149655529 562842759 /nfs/dbraw/zinc/84/27/59/562842759.db2.gz VFEJIGVQRKISNQ-QAQDUYKDSA-N 1 1 530.576 4.304 1 0 KIAFMO CC(C)(C)OC(=O)N[C@@H](Cc1cnc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000150522983 562843564 /nfs/dbraw/zinc/84/35/64/562843564.db2.gz CQFYRSQEOYPEBY-KYJUHHDHSA-N 1 1 652.800 4.244 1 0 KIAFMO O=C(CN1CC[NH+](CCOCCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000150544100 562844319 /nfs/dbraw/zinc/84/43/19/562844319.db2.gz YVPWDHRDUFALKL-UHFFFAOYSA-N 1 1 642.778 4.230 1 0 KIAFMO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1cc(O)ccc1O)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccc(I)cc1I ZINC000150583535 562845670 /nfs/dbraw/zinc/84/56/70/562845670.db2.gz QPBNWUXUYXNOME-YCVJPRETSA-N 1 1 875.587 4.098 1 0 KIAFMO CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOc3cccc4c(C(=O)N[C@@H]5C[C@H]6CCC[C@@H](C5)[N@@H+]6C)nn(C)c43)c(=O)oc2c1 ZINC000150591654 562846270 /nfs/dbraw/zinc/84/62/70/562846270.db2.gz BWUVAZMPSVZMLB-CXAYTTCISA-N 1 1 702.853 4.113 1 0 KIAFMO O=C(NC1CC1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CC[NH+](CCO)CC3)cc1)CC2 ZINC000150598938 562846893 /nfs/dbraw/zinc/84/68/93/562846893.db2.gz FKSCTNJZVJMRFX-UHFFFAOYSA-N 1 1 636.778 4.272 1 0 KIAFMO CCOC(=O)C[C@H](NCCC[NH2+][C@@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000150613096 562848659 /nfs/dbraw/zinc/84/86/59/562848659.db2.gz SOTNZZQJQQNKRQ-LXOQGSCISA-N 1 1 770.917 4.123 1 0 KIAFMO CCOC(=O)C[C@H](NCCC[NH2+][C@@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000150613096 562848658 /nfs/dbraw/zinc/84/86/58/562848658.db2.gz SOTNZZQJQQNKRQ-LXOQGSCISA-N 1 1 770.917 4.123 1 0 KIAFMO CCOC(=O)C[C@@H]([NH2+]CCCN[C@@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000150613097 562848645 /nfs/dbraw/zinc/84/86/45/562848645.db2.gz SOTNZZQJQQNKRQ-LDEKTHDVSA-N 1 1 770.917 4.123 1 0 KIAFMO CCOC(=O)C[C@@H](NCCC[NH2+][C@@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000150613097 562848644 /nfs/dbraw/zinc/84/86/44/562848644.db2.gz SOTNZZQJQQNKRQ-LDEKTHDVSA-N 1 1 770.917 4.123 1 0 KIAFMO CCOC(=O)C[C@@H]([NH2+]CCCN[C@@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000150613099 562848631 /nfs/dbraw/zinc/84/86/31/562848631.db2.gz SOTNZZQJQQNKRQ-CGONDXIBSA-N 1 1 770.917 4.123 1 0 KIAFMO CCOC(=O)C[C@@H](NCCC[NH2+][C@@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000150613099 562848630 /nfs/dbraw/zinc/84/86/30/562848630.db2.gz SOTNZZQJQQNKRQ-CGONDXIBSA-N 1 1 770.917 4.123 1 0 KIAFMO CCOC(=O)C[C@@H](NCCC[NH2+][C@H](CC(=O)OCC)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000150613100 562848682 /nfs/dbraw/zinc/84/86/82/562848682.db2.gz SOTNZZQJQQNKRQ-FRZMDUKZSA-N 1 1 770.917 4.123 1 0 KIAFMO CCOC(=O)C[C@@H](NCCC[NH2+][C@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000150613100 562848681 /nfs/dbraw/zinc/84/86/81/562848681.db2.gz SOTNZZQJQQNKRQ-FRZMDUKZSA-N 1 1 770.917 4.123 1 0 KIAFMO CCn1c(N2CCN(CCN3CC[NH2+]CC3)CC2)nc2c1c(Br)c(Br)c(Br)c2Br ZINC000164734203 562849750 /nfs/dbraw/zinc/84/97/50/562849750.db2.gz NWGMEQIFMBPFMZ-UHFFFAOYSA-N 1 1 658.075 4.133 1 0 KIAFMO CC(C)[C@H]1CN(CC[C@@H]2CCC[N@@H+](C)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000165213250 562849870 /nfs/dbraw/zinc/84/98/70/562849870.db2.gz MCIZKSLGJKZUHM-GBXCKJPGSA-N 1 1 513.650 4.180 1 0 KIAFMO CC(C)[C@H]1CN(CC[C@H]2CCC[N@@H+](C)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000165213379 562849877 /nfs/dbraw/zinc/84/98/77/562849877.db2.gz MCIZKSLGJKZUHM-HYBUGGRVSA-N 1 1 513.650 4.180 1 0 KIAFMO C[NH+]1CCN(c2cc(NC(=O)c3ccc(F)c(Nc4ncnc5cnc(N6CCOCC6)nc54)c3)cc(C(F)(F)F)c2F)CC1 ZINC000165273867 562849991 /nfs/dbraw/zinc/84/99/91/562849991.db2.gz QNCDJRGVFFXOFH-UHFFFAOYSA-N 1 1 629.594 4.301 1 0 KIAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(N6CCN(C)CC6)c(F)c(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000165279238 562850063 /nfs/dbraw/zinc/85/00/63/562850063.db2.gz QPDCRUJLQFATGO-UHFFFAOYSA-N 1 1 682.727 4.402 1 0 KIAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(F)(F)F)ccc5N5CCOCC5)ccc4C)c3n2)CC1 ZINC000165280774 562850066 /nfs/dbraw/zinc/85/00/66/562850066.db2.gz DMSOGNTWVSVRAA-UHFFFAOYSA-N 1 1 651.694 4.348 1 0 KIAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(F)(F)F)ccc5-n5ccnn5)ccc4C)c3n2)CC1 ZINC000165280933 562850079 /nfs/dbraw/zinc/85/00/79/562850079.db2.gz RGKJKVPHYGGOFL-UHFFFAOYSA-N 1 1 633.639 4.092 1 0 KIAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](CCN6CCOCC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000165281391 562850081 /nfs/dbraw/zinc/85/00/81/562850081.db2.gz NQGGPSAGZMTBJO-UHFFFAOYSA-N 1 1 651.694 4.206 1 0 KIAFMO CC(C)[C@H]1CN(C[C@H]2CCC[N@H+]2C(C)C)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165284513 562850096 /nfs/dbraw/zinc/85/00/96/562850096.db2.gz BYTRASPVNYJDBT-HYBUGGRVSA-N 1 1 531.640 4.460 1 0 KIAFMO CC(C)[C@H]1CN(C[C@H]2CCC[N@@H+]2C(C)C)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000165284513 562850095 /nfs/dbraw/zinc/85/00/95/562850095.db2.gz BYTRASPVNYJDBT-HYBUGGRVSA-N 1 1 531.640 4.460 1 0 KIAFMO CC(C)[C@H]1CN(C[C@H]2CCC[N@H+]2C(C)C)C(=O)N1c1ccn2ncc(-c3ccc(-c4nnc[nH]4)c(F)c3)c2n1 ZINC000165284513 562850094 /nfs/dbraw/zinc/85/00/94/562850094.db2.gz BYTRASPVNYJDBT-HYBUGGRVSA-N 1 1 531.640 4.460 1 0 KIAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCC[N@H+](C)CC3)nc12 ZINC000166141452 562850326 /nfs/dbraw/zinc/85/03/26/562850326.db2.gz GSSQCSUHBDGJBV-UHFFFAOYSA-N 1 1 551.577 4.467 1 0 KIAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CC[NH+](C)CC3)nc12 ZINC000166141885 562850357 /nfs/dbraw/zinc/85/03/57/562850357.db2.gz VVHMVGXTAUFYHL-UHFFFAOYSA-N 1 1 537.550 4.077 1 0 KIAFMO Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000166180277 562850402 /nfs/dbraw/zinc/85/04/02/562850402.db2.gz TXFXDQZLMXKLSM-UHFFFAOYSA-N 1 1 558.590 4.043 1 0 KIAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000166184090 562850389 /nfs/dbraw/zinc/85/03/89/562850389.db2.gz WFACFYNTGIQBPG-UHFFFAOYSA-N 1 1 522.535 4.495 1 0 KIAFMO Cc1ccc(NC(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CC[NH+](C)C)nc21 ZINC000166184972 562850370 /nfs/dbraw/zinc/85/03/70/562850370.db2.gz OOPIZRSEVSTBRB-UHFFFAOYSA-N 1 1 622.700 4.493 1 0 KIAFMO COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)ccc3C)c[nH]c-2n1 ZINC000166619211 562850449 /nfs/dbraw/zinc/85/04/49/562850449.db2.gz MPKPLIIMXGFXDA-UHFFFAOYSA-N 1 1 526.641 4.270 1 0 KIAFMO CS(=O)(=O)c1nc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000167026934 562850608 /nfs/dbraw/zinc/85/06/08/562850608.db2.gz KHSLMVKNPXOWDM-UHFFFAOYSA-N 1 1 591.701 4.422 1 0 KIAFMO CS(=O)(=O)c1nc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000167026934 562850607 /nfs/dbraw/zinc/85/06/07/562850607.db2.gz KHSLMVKNPXOWDM-UHFFFAOYSA-N 1 1 591.701 4.422 1 0 KIAFMO CNc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000167270429 562850701 /nfs/dbraw/zinc/85/07/01/562850701.db2.gz ZHBUOHSDTGDPDK-UHFFFAOYSA-N 1 1 514.597 4.280 1 0 KIAFMO O=C(NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH+]2CCOCC2)CC3)c1)c1csc(-c2cccnc2)n1 ZINC000167966856 562851164 /nfs/dbraw/zinc/85/11/64/562851164.db2.gz SVAQNYXFGPPYCL-NRFANRHFSA-N 1 1 560.705 4.033 1 0 KIAFMO O=C(NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH+]2CCOCC2)CC3)c1)c1ccc(-c2cnco2)cc1 ZINC000167968429 562851197 /nfs/dbraw/zinc/85/11/97/562851197.db2.gz HJFVYDJAEFHGGT-QHCPKHFHSA-N 1 1 543.649 4.170 1 0 KIAFMO O=C(NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH+]2CCOCC2)CC3)c1)c1csc(-c2ccncc2)n1 ZINC000167968914 562851199 /nfs/dbraw/zinc/85/11/99/562851199.db2.gz KTHVACKZADKQIJ-NRFANRHFSA-N 1 1 560.705 4.033 1 0 KIAFMO Cc1nc(-c2ccncc2)sc1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH+]2CCOCC2)CC3)c1 ZINC000167970336 562851145 /nfs/dbraw/zinc/85/11/45/562851145.db2.gz HHQRKZASUPOCDG-QFIPXVFZSA-N 1 1 574.732 4.342 1 0 KIAFMO CCN1C(=O)CSc2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)C[N@H+](C)CC5)c3)cc21 ZINC000167975608 562851231 /nfs/dbraw/zinc/85/12/31/562851231.db2.gz IHXAPDGSVRBIBF-UHFFFAOYSA-N 1 1 514.651 4.315 1 0 KIAFMO COC[C@@H]1CCC[N@H+]1CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168433510 562851370 /nfs/dbraw/zinc/85/13/70/562851370.db2.gz QFQNIJYBDUHLKS-OEYYQIPYSA-N 1 1 530.507 4.223 1 0 KIAFMO COC[C@H]1CCC[N@H+]1CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168433610 562851385 /nfs/dbraw/zinc/85/13/85/562851385.db2.gz QFQNIJYBDUHLKS-GNADVCDUSA-N 1 1 530.507 4.223 1 0 KIAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc([C@@H](O)c3ccc(Cl)cc3)c2cc1OC ZINC000169292909 562852044 /nfs/dbraw/zinc/85/20/44/562852044.db2.gz RSOCATRKPYCPKS-CLYVBNDRSA-N 1 1 527.065 4.055 1 0 KIAFMO CN1CC[NH+](C23C[C@H](NC(=O)CN4CCCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298840 562852694 /nfs/dbraw/zinc/85/26/94/562852694.db2.gz ZKNKOWOWSYGTCT-AVEWUVIBSA-N 1 1 500.731 4.325 1 0 KIAFMO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000169302831 562853137 /nfs/dbraw/zinc/85/31/37/562853137.db2.gz JPTBPKYULKDEBD-SEJPIABJSA-N 1 1 502.011 4.120 1 0 KIAFMO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000169302831 562853136 /nfs/dbraw/zinc/85/31/36/562853136.db2.gz JPTBPKYULKDEBD-SEJPIABJSA-N 1 1 502.011 4.120 1 0 KIAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 ZINC000169308055 562854013 /nfs/dbraw/zinc/85/40/13/562854013.db2.gz IJGUMSCZVYOVTC-MQFRRQCYSA-N 1 1 575.694 4.007 1 0 KIAFMO COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CC[NH+](C)C)c2)n1 ZINC000169310607 562854866 /nfs/dbraw/zinc/85/48/66/562854866.db2.gz MHHOXOROYCKYPG-UHFFFAOYSA-N 1 1 540.068 4.317 1 0 KIAFMO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@@H](CC1CCCCC1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C(=O)C1=O ZINC000169311265 562855126 /nfs/dbraw/zinc/85/51/26/562855126.db2.gz FVDPXZDLRKDJRJ-KMSCUOMXSA-N 1 1 685.910 4.147 1 0 KIAFMO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311267 562855061 /nfs/dbraw/zinc/85/50/61/562855061.db2.gz FZUNFUBTNGTNHB-HNVKGOKNSA-N 1 1 723.915 4.076 1 0 KIAFMO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311270 562855111 /nfs/dbraw/zinc/85/51/11/562855111.db2.gz FZUNFUBTNGTNHB-RMZJEPJKSA-N 1 1 723.915 4.076 1 0 KIAFMO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311276 562855108 /nfs/dbraw/zinc/85/51/08/562855108.db2.gz FZUNFUBTNGTNHB-KOABPKSUSA-N 1 1 723.915 4.076 1 0 KIAFMO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311278 562855076 /nfs/dbraw/zinc/85/50/76/562855076.db2.gz FZUNFUBTNGTNHB-KJBGYCENSA-N 1 1 723.915 4.076 1 0 KIAFMO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311280 562855058 /nfs/dbraw/zinc/85/50/58/562855058.db2.gz FZUNFUBTNGTNHB-JWRPADCFSA-N 1 1 723.915 4.076 1 0 KIAFMO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311281 562855073 /nfs/dbraw/zinc/85/50/73/562855073.db2.gz FZUNFUBTNGTNHB-ACHINCKFSA-N 1 1 723.915 4.076 1 0 KIAFMO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311288 562855119 /nfs/dbraw/zinc/85/51/19/562855119.db2.gz FZUNFUBTNGTNHB-BOYYEFAASA-N 1 1 723.915 4.076 1 0 KIAFMO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000169311289 562855067 /nfs/dbraw/zinc/85/50/67/562855067.db2.gz FZUNFUBTNGTNHB-RCSGYHMFSA-N 1 1 723.915 4.076 1 0 KIAFMO CC(C)c1cc(-n2nnc(C(=O)NC3CCCCC3)c2-c2ccc(C[NH+]3CCOCC3)cc2)c(O)cc1O ZINC000169313097 562855545 /nfs/dbraw/zinc/85/55/45/562855545.db2.gz DKKADLLUEKFSFF-UHFFFAOYSA-N 1 1 519.646 4.364 1 0 KIAFMO COc1ccc2c3c1O[C@@H]1[C@@]34CC[N@H+](C)[C@@H](C2)[C@]42C=C[C@@]1(OC)[C@@H]([C@@](C)(O)CCc1ccc(O)cc1)C2 ZINC000169315262 562855801 /nfs/dbraw/zinc/85/58/01/562855801.db2.gz PCDVNUSHMPVTOE-IFYDKPTLSA-N 1 1 503.639 4.005 1 0 KIAFMO C[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCOCC3)n2)CC1 ZINC000169323835 562857150 /nfs/dbraw/zinc/85/71/50/562857150.db2.gz MZRMQPJLEIBEQF-UHFFFAOYSA-N 1 1 532.052 4.149 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cc4nccnc4cn3)CC2)C1 ZINC000169325354 562857597 /nfs/dbraw/zinc/85/75/97/562857597.db2.gz NVPXSSPNYHRGBA-DNZIZEQUSA-N 1 1 556.711 4.019 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000169328027 562858243 /nfs/dbraw/zinc/85/82/43/562858243.db2.gz JYRKGTLBBJHVGA-DNZIZEQUSA-N 1 1 504.675 4.076 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4nccn43)CC2)C1 ZINC000169328719 562858408 /nfs/dbraw/zinc/85/84/08/562858408.db2.gz SKBUEWJIXHHCOK-BDGPUAICSA-N 1 1 543.712 4.329 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nonc4c3)CC2)C1 ZINC000169328854 562858412 /nfs/dbraw/zinc/85/84/12/562858412.db2.gz PXKLEJCHPGUZTI-KCQQGECQSA-N 1 1 545.684 4.217 1 0 KIAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](C[C@@H]5CCCCO5)C4)c(=O)c3n2)c1 ZINC000169329329 562858478 /nfs/dbraw/zinc/85/84/78/562858478.db2.gz DXSXKWAMIQXRGJ-DHLKQENFSA-N 1 1 528.657 4.242 1 0 KIAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](C[C@H]5CCCCO5)C4)c(=O)c3n2)c1 ZINC000169329330 562858521 /nfs/dbraw/zinc/85/85/21/562858521.db2.gz DXSXKWAMIQXRGJ-WIOPSUGQSA-N 1 1 528.657 4.242 1 0 KIAFMO CCO[C@@H](C)C[N@H+]1CCC[C@H](Cn2c(=O)c3nn(-c4cccc(OC)c4)cc3nc2-c2cccnc2C)C1 ZINC000169329331 562858512 /nfs/dbraw/zinc/85/85/12/562858512.db2.gz WGFAFEDEEUGGOE-UNMCSNQZSA-N 1 1 516.646 4.098 1 0 KIAFMO CCO[C@H](C)C[N@H+]1CCC[C@H](Cn2c(=O)c3nn(-c4cccc(OC)c4)cc3nc2-c2cccnc2C)C1 ZINC000169329332 562858475 /nfs/dbraw/zinc/85/84/75/562858475.db2.gz WGFAFEDEEUGGOE-IRLDBZIGSA-N 1 1 516.646 4.098 1 0 KIAFMO CC(=O)N1CC[NH+](CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c3cccnc23)CC1 ZINC000169329984 562858643 /nfs/dbraw/zinc/85/86/43/562858643.db2.gz DDMYKFIFPVZNFV-UHFFFAOYSA-N 1 1 505.663 4.258 1 0 KIAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](Cc5ccco5)C4)c(=O)c3n2)c1 ZINC000169330993 562858837 /nfs/dbraw/zinc/85/88/37/562858837.db2.gz PPNMAMLENGIHKJ-NRFANRHFSA-N 1 1 510.598 4.466 1 0 KIAFMO CCOc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](C[C@H]5CCCO5)C4)c(=O)c3n2)c1 ZINC000169331025 562858844 /nfs/dbraw/zinc/85/88/44/562858844.db2.gz SDDYPSFGXCNMIG-WIOPSUGQSA-N 1 1 528.657 4.242 1 0 KIAFMO Cc1ncccc1-c1nc2cn(-c3cccc(OC(F)F)c3)nc2c(=O)n1C[C@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000169331032 562858884 /nfs/dbraw/zinc/85/88/84/562858884.db2.gz PBFIXCPNDGGMRZ-NZQKXSOJSA-N 1 1 550.610 4.445 1 0 KIAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](C)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169332539 562859205 /nfs/dbraw/zinc/85/92/05/562859205.db2.gz XNQFVOYSSAQAQC-WRWFRHCTSA-N 1 1 582.694 4.129 1 0 KIAFMO O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CC[N@@H+](CCc3ccccc3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1 ZINC000169341284 562860822 /nfs/dbraw/zinc/86/08/22/562860822.db2.gz BOWOPEVIHUYMAZ-KRGIVBCISA-N 1 1 550.655 4.156 1 0 KIAFMO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](C)C[N@H+](CC(=O)N(C)C)CC3)ncc1Cl ZINC000169345231 562861559 /nfs/dbraw/zinc/86/15/59/562861559.db2.gz XYJHFAIWNWCPJD-KRWDZBQOSA-N 1 1 522.053 4.027 1 0 KIAFMO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@H](C)C[N@H+](CC(=O)N(C)C)CC3)ncc1Cl ZINC000169345232 562861571 /nfs/dbraw/zinc/86/15/71/562861571.db2.gz XYJHFAIWNWCPJD-QGZVFWFLSA-N 1 1 522.053 4.027 1 0 KIAFMO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](C)C[N@H+](C)CC3)nc(N2CCOCC2)c1Cl ZINC000169345245 562861579 /nfs/dbraw/zinc/86/15/79/562861579.db2.gz LFHOAVLOFVEZTR-SFHVURJKSA-N 1 1 536.080 4.405 1 0 KIAFMO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@H](C)C[N@H+](C)CC3)nc(N2CCOCC2)c1Cl ZINC000169345246 562861565 /nfs/dbraw/zinc/86/15/65/562861565.db2.gz LFHOAVLOFVEZTR-GOSISDBHSA-N 1 1 536.080 4.405 1 0 KIAFMO COc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(CC[NH+](C)C)CC6)ccc5[nH]4)cc3[nH]2)cc1OC ZINC000169352532 562863133 /nfs/dbraw/zinc/86/31/33/562863133.db2.gz RZHAOZCPHFBKRG-UHFFFAOYSA-N 1 1 525.657 4.474 1 0 KIAFMO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@@]1(C(=O)NCc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000169352794 562863184 /nfs/dbraw/zinc/86/31/84/562863184.db2.gz AKNZJQAXCIWKJT-ARPOTICCSA-N 1 1 628.770 4.433 1 0 KIAFMO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)[C@]1(C(=O)NCc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000169352795 562863216 /nfs/dbraw/zinc/86/32/16/562863216.db2.gz AKNZJQAXCIWKJT-RYWJPUDZSA-N 1 1 628.770 4.433 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nccnc4n3)CC2)C1 ZINC000169355412 562863732 /nfs/dbraw/zinc/86/37/32/562863732.db2.gz AIEPZCFSGUKURU-DNZIZEQUSA-N 1 1 556.711 4.019 1 0 KIAFMO COc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)C[N@H+]2Cc2cccs2)cc1 ZINC000169355660 562863778 /nfs/dbraw/zinc/86/37/78/562863778.db2.gz SUJIIVQNRQJYEI-NXCFDTQHSA-N 1 1 504.612 4.254 1 0 KIAFMO COc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)C[N@H+]2Cc2cccs2)cc1 ZINC000169355662 562863763 /nfs/dbraw/zinc/86/37/63/562863763.db2.gz SUJIIVQNRQJYEI-GSDHBNRESA-N 1 1 504.612 4.254 1 0 KIAFMO C[N@H+]1CCC[C@@H]1CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000169356565 562863844 /nfs/dbraw/zinc/86/38/44/562863844.db2.gz BDUVFTBZOLFDIP-SQHAQQRYSA-N 1 1 685.480 4.313 1 0 KIAFMO C[N@H+]1CCC[C@H]1CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)[C@@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000169356566 562863839 /nfs/dbraw/zinc/86/38/39/562863839.db2.gz BDUVFTBZOLFDIP-IGKIAQTJSA-N 1 1 685.480 4.313 1 0 KIAFMO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])C[C@@H]3c4ccccc4N[C@@H]32)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000169356807 562863872 /nfs/dbraw/zinc/86/38/72/562863872.db2.gz WQDNPNQXLNGRQH-KCXYBRFRSA-N 1 1 516.617 4.222 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc4nonc43)CC2)C1 ZINC000169366240 562864483 /nfs/dbraw/zinc/86/44/83/562864483.db2.gz CFVGQAQWOHALJT-VZVHPENPSA-N 1 1 545.684 4.217 1 0 KIAFMO O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(N(COC(=O)OCCC[NH+]3CCOCC3)C(=O)Cc3ccccc3)s2)s1 ZINC000169697684 562866538 /nfs/dbraw/zinc/86/65/38/562866538.db2.gz LPYDKXAETQPSPN-UHFFFAOYSA-N 1 1 725.919 4.498 1 0 KIAFMO CC(C)[C@H](N)C(=O)OC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](COC(=O)[C@@H]([NH3+])C(C)C)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698165 562866948 /nfs/dbraw/zinc/86/69/48/562866948.db2.gz JYUNJVCQDWQLLI-ATACATFBSA-N 1 1 750.948 4.453 1 0 KIAFMO CC(C)[C@H](N)C(=O)OC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](COC(=O)[C@@H]([NH3+])C(C)C)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698166 562866956 /nfs/dbraw/zinc/86/69/56/562866956.db2.gz JYUNJVCQDWQLLI-HHGOQMMWSA-N 1 1 750.948 4.453 1 0 KIAFMO O=C(CC1=CN2CCC[NH+]=C2S1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698429 562867247 /nfs/dbraw/zinc/86/72/47/562867247.db2.gz GUDDDQDQRQSPNV-UHFFFAOYSA-N 1 1 548.698 4.053 1 0 KIAFMO CC[C@@]1(NC(=O)OCc2ccccc2)CCCN(S(=O)(=O)CC2CCC(N(C)c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000169700303 562867696 /nfs/dbraw/zinc/86/76/96/562867696.db2.gz PYVXUPZAXBIUIP-UMVVBEGXSA-N 1 1 568.744 4.454 1 0 KIAFMO CC[C@]1(NC(=O)OCc2ccccc2)CCCN(S(=O)(=O)CC2CCC(N(C)c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000169700304 562867694 /nfs/dbraw/zinc/86/76/94/562867694.db2.gz PYVXUPZAXBIUIP-DHCVZJGKSA-N 1 1 568.744 4.454 1 0 KIAFMO CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)NCC1=CCC[NH+]=C1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000169702516 562868411 /nfs/dbraw/zinc/86/84/11/562868411.db2.gz YEPBPHCYBDHOBY-JUKUECOXSA-N 1 1 702.922 4.464 1 0 KIAFMO O[C@@H]1CCC[N@H+](C2CCN(c3ccc(Nc4ncc5c6ccncc6n(C6CCCC6)c5n4)nn3)CC2)C1 ZINC000169706901 562869906 /nfs/dbraw/zinc/86/99/06/562869906.db2.gz PPJRGLDUXCYWQR-OAQYLSRUSA-N 1 1 513.650 4.054 1 0 KIAFMO O[C@H]1CCC[N@H+](C2CCN(c3ccc(Nc4ncc5c6ccncc6n(C6CCCC6)c5n4)nn3)CC2)C1 ZINC000169706902 562869908 /nfs/dbraw/zinc/86/99/08/562869908.db2.gz PPJRGLDUXCYWQR-NRFANRHFSA-N 1 1 513.650 4.054 1 0 KIAFMO CN(C)CC[N@@H+](C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706928 562869934 /nfs/dbraw/zinc/86/99/34/562869934.db2.gz XUPRCCLLUPDTDK-UHFFFAOYSA-N 1 1 514.682 4.090 1 0 KIAFMO CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cnn(C(C)C)c3C(F)(F)F)c2)c2c[nH+]c(N)nc21 ZINC000169707811 562870151 /nfs/dbraw/zinc/87/01/51/562870151.db2.gz GKHYPTONIZHZPZ-UHFFFAOYSA-N 1 1 514.512 4.198 1 0 KIAFMO CC(C)n1cc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4nc(N)[nH+]cc34)c2)c(C(F)(F)F)n1 ZINC000169707814 562870141 /nfs/dbraw/zinc/87/01/41/562870141.db2.gz MAYBJGXOZOFPIP-UHFFFAOYSA-N 1 1 514.512 4.198 1 0 KIAFMO CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)NCCC[NH+]4CCOCC4)C3)c2)c1 ZINC000169710125 562870480 /nfs/dbraw/zinc/87/04/80/562870480.db2.gz IKFHZJUIUYWANO-UHFFFAOYSA-N 1 1 541.696 4.472 1 0 KIAFMO Cc1cc(C[N@H+]2CCCC[C@@H]2CO)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711360 562870876 /nfs/dbraw/zinc/87/08/76/562870876.db2.gz RGDNWCIHGZTXBD-HSZRJFAPSA-N 1 1 540.458 4.123 1 0 KIAFMO Cc1cc(C[N@@H+]2CCC[C@@H]2C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)nc1=O ZINC000169711427 562870885 /nfs/dbraw/zinc/87/08/85/562870885.db2.gz VHGRNBLSDFAHJO-SFHVURJKSA-N 1 1 511.420 4.155 1 0 KIAFMO Cc1cc(C[N@@H+]2CCC[C@H]2C)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)nc1=O ZINC000169711428 562870937 /nfs/dbraw/zinc/87/09/37/562870937.db2.gz VHGRNBLSDFAHJO-GOSISDBHSA-N 1 1 511.420 4.155 1 0 KIAFMO CCN1CC[NH+](CCc2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1 ZINC000169711501 562870965 /nfs/dbraw/zinc/87/09/65/562870965.db2.gz BCEJUOHPDRUZSJ-UHFFFAOYSA-N 1 1 556.667 4.457 1 0 KIAFMO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)s2)c1 ZINC000169711522 562870958 /nfs/dbraw/zinc/87/09/58/562870958.db2.gz NEQKXCMZJBDUIO-HXUWFJFHSA-N 1 1 579.679 4.312 1 0 KIAFMO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@@H+]3CC[C@@H](O)C3)s2)c1 ZINC000169711522 562870957 /nfs/dbraw/zinc/87/09/57/562870957.db2.gz NEQKXCMZJBDUIO-HXUWFJFHSA-N 1 1 579.679 4.312 1 0 KIAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CCC[C@@H]5CO)s4)c3)c(OC)cc21 ZINC000169711525 562870970 /nfs/dbraw/zinc/87/09/70/562870970.db2.gz AGGXMCCELIDCCH-GOSISDBHSA-N 1 1 535.626 4.295 1 0 KIAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CCC[C@H]5CO)s4)c3)c(OC)cc21 ZINC000169711526 562871037 /nfs/dbraw/zinc/87/10/37/562871037.db2.gz AGGXMCCELIDCCH-SFHVURJKSA-N 1 1 535.626 4.295 1 0 KIAFMO CC[NH+]1CCN(Cc2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)s2)CC1 ZINC000169711528 562871028 /nfs/dbraw/zinc/87/10/28/562871028.db2.gz LRCHCZAYVXUBIX-UHFFFAOYSA-N 1 1 548.669 4.476 1 0 KIAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[NH+]5CCC(O)CC5)s4)c3)c(OC)cc21 ZINC000169711530 562871016 /nfs/dbraw/zinc/87/10/16/562871016.db2.gz LVRVVGVLJGBOPH-UHFFFAOYSA-N 1 1 535.626 4.295 1 0 KIAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CCC[C@@H]5CO)cc4)c3)c(OC)cc21 ZINC000169711536 562871013 /nfs/dbraw/zinc/87/10/13/562871013.db2.gz REKOTEBQHDEUHB-JOCHJYFZSA-N 1 1 529.597 4.234 1 0 KIAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CCC[C@H]5CO)cc4)c3)c(OC)cc21 ZINC000169711537 562871032 /nfs/dbraw/zinc/87/10/32/562871032.db2.gz REKOTEBQHDEUHB-QFIPXVFZSA-N 1 1 529.597 4.234 1 0 KIAFMO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000169711592 562871064 /nfs/dbraw/zinc/87/10/64/562871064.db2.gz HZCQRDMHIZZLSG-DEOSSOPVSA-N 1 1 573.650 4.250 1 0 KIAFMO CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000169711600 562871098 /nfs/dbraw/zinc/87/10/98/562871098.db2.gz HZCQRDMHIZZLSG-XMMPIXPASA-N 1 1 573.650 4.250 1 0 KIAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CC[C@H](O)C5)cc4)c3)c(OCCCOC)cc21 ZINC000169711610 562871081 /nfs/dbraw/zinc/87/10/81/562871081.db2.gz UCNVEKCXCXHODV-DEOSSOPVSA-N 1 1 573.650 4.250 1 0 KIAFMO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@H+]5CC[C@@H](O)C5)cc4)c3)c(OCCCOC)cc21 ZINC000169711611 562871056 /nfs/dbraw/zinc/87/10/56/562871056.db2.gz UCNVEKCXCXHODV-XMMPIXPASA-N 1 1 573.650 4.250 1 0 KIAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](C)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000195198536 562871557 /nfs/dbraw/zinc/87/15/57/562871557.db2.gz XNQFVOYSSAQAQC-DJOVSXFKSA-N 1 1 582.694 4.129 1 0 KIAFMO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CC[N@H+]3CCCC[C@@H]3C)C(=O)[C@@H]3[C@@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000195241761 562871569 /nfs/dbraw/zinc/87/15/69/562871569.db2.gz UCZXFTYSBQUYFD-YODYUUBMSA-N 1 1 583.173 4.244 1 0 KIAFMO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])C[C@H]3c4ccccc4N[C@@H]32)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000195252279 562871603 /nfs/dbraw/zinc/87/16/03/562871603.db2.gz WQDNPNQXLNGRQH-COTPGQAASA-N 1 1 516.617 4.222 1 0 KIAFMO COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000195394908 562871729 /nfs/dbraw/zinc/87/17/29/562871729.db2.gz SLPUZIRKXPFKQK-KKUQBAQOSA-N 1 1 504.612 4.254 1 0 KIAFMO COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000195394908 562871728 /nfs/dbraw/zinc/87/17/28/562871728.db2.gz SLPUZIRKXPFKQK-KKUQBAQOSA-N 1 1 504.612 4.254 1 0 KIAFMO COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000195394923 562871726 /nfs/dbraw/zinc/87/17/26/562871726.db2.gz SLPUZIRKXPFKQK-GSDHBNRESA-N 1 1 504.612 4.254 1 0 KIAFMO COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000195394923 562871725 /nfs/dbraw/zinc/87/17/25/562871725.db2.gz SLPUZIRKXPFKQK-GSDHBNRESA-N 1 1 504.612 4.254 1 0 KIAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C1 ZINC000195442158 562871873 /nfs/dbraw/zinc/87/18/73/562871873.db2.gz LAGLXUYHYIDDKB-KAMZKSLDSA-N 1 1 562.740 4.081 1 0 KIAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)cc(OC)c1OC ZINC000195504317 562872033 /nfs/dbraw/zinc/87/20/33/562872033.db2.gz HTWXDXZHJBDTKF-HAXKAYBUSA-N 1 1 682.770 4.416 1 0 KIAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4ccoc4c3=O)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000198471567 562872700 /nfs/dbraw/zinc/87/27/00/562872700.db2.gz LHKSFQCEPVEZQH-UHFFFAOYSA-N 1 1 571.678 4.316 1 0 KIAFMO CCN1c2ccc(OCCC[N@@H+](CCc3cccnc3)Cc3ccncc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000198497728 562872759 /nfs/dbraw/zinc/87/27/59/562872759.db2.gz QEXPFDNRGMLZPW-UHFFFAOYSA-N 1 1 515.658 4.346 1 0 KIAFMO Cc1cc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000200252455 562873280 /nfs/dbraw/zinc/87/32/80/562873280.db2.gz BUTROGRULWYYMV-UHFFFAOYSA-N 1 1 500.624 4.300 1 0 KIAFMO CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NCC3C[NH+](C)C3)c2)CC1 ZINC000200763152 562873445 /nfs/dbraw/zinc/87/34/45/562873445.db2.gz XSJJLTUTXVNLLI-UHFFFAOYSA-N 1 1 559.665 4.410 1 0 KIAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](CCOC)CC4)c4ccc(C)cc34)cc2)c1C ZINC000203554568 562874020 /nfs/dbraw/zinc/87/40/20/562874020.db2.gz GOVHPJGNBJKNDQ-UHFFFAOYSA-N 1 1 584.721 4.470 1 0 KIAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4ccc(C)cc34)cc2)c1C ZINC000203554792 562874012 /nfs/dbraw/zinc/87/40/12/562874012.db2.gz DHMFMXCEAPAUNZ-UHFFFAOYSA-N 1 1 540.668 4.453 1 0 KIAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4ccc(OC)cc34)cc2)c1C ZINC000203554807 562874032 /nfs/dbraw/zinc/87/40/32/562874032.db2.gz OVKRIGAQMIPFNF-UHFFFAOYSA-N 1 1 556.667 4.153 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4CCC[N@H+](C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 ZINC000203793474 562874121 /nfs/dbraw/zinc/87/41/21/562874121.db2.gz MANLYGWZZVOIHV-JOCHJYFZSA-N 1 1 544.704 4.441 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4CCC[N@H+](C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 ZINC000203793485 562874130 /nfs/dbraw/zinc/87/41/30/562874130.db2.gz MANLYGWZZVOIHV-QFIPXVFZSA-N 1 1 544.704 4.441 1 0 KIAFMO COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NCC(=O)N4CCN(C)CC4)c3c2)cc(Cl)c1O ZINC000203803606 562874217 /nfs/dbraw/zinc/87/42/17/562874217.db2.gz SJULBWYZZFLEAN-UHFFFAOYSA-N 1 1 509.006 4.048 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@@H]4CCC[N@H+](C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 ZINC000204419341 562874474 /nfs/dbraw/zinc/87/44/74/562874474.db2.gz XPPGOMOXJOINTN-JOCHJYFZSA-N 1 1 530.677 4.362 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[N@H+](C(C)C)CCN4C)cc2OCC3)n(C(C)C)n1 ZINC000204422900 562874478 /nfs/dbraw/zinc/87/44/78/562874478.db2.gz HPGAEZKPRXMMCW-VWLOTQADSA-N 1 1 529.693 4.188 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[N@H+](C(C)C)CCN4C)cc2OCC3)n(C(C)C)n1 ZINC000204422920 562874453 /nfs/dbraw/zinc/87/44/53/562874453.db2.gz HPGAEZKPRXMMCW-RUZDIDTESA-N 1 1 529.693 4.188 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@H]4CCC[N@H+](C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 ZINC000204423056 562874450 /nfs/dbraw/zinc/87/44/50/562874450.db2.gz XPPGOMOXJOINTN-QFIPXVFZSA-N 1 1 530.677 4.362 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@@H]4CCC[N@H+](C5(C)COC5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204424833 562874441 /nfs/dbraw/zinc/87/44/41/562874441.db2.gz UNUBXSABRUZPKC-JOCHJYFZSA-N 1 1 528.661 4.380 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@@H]4CCC[N@@H+](C5(C)COC5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204424833 562874440 /nfs/dbraw/zinc/87/44/40/562874440.db2.gz UNUBXSABRUZPKC-JOCHJYFZSA-N 1 1 528.661 4.380 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@H]4CCC[N@H+](C5(C)COC5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204424848 562874491 /nfs/dbraw/zinc/87/44/91/562874491.db2.gz UNUBXSABRUZPKC-QFIPXVFZSA-N 1 1 528.661 4.380 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@H]4CCC[N@@H+](C5(C)COC5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204424848 562874490 /nfs/dbraw/zinc/87/44/90/562874490.db2.gz UNUBXSABRUZPKC-QFIPXVFZSA-N 1 1 528.661 4.380 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4N4CC[N@@H+](C)[C@H](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204425120 562874483 /nfs/dbraw/zinc/87/44/83/562874483.db2.gz PGXUWTLJGWBYGR-VWLOTQADSA-N 1 1 529.693 4.267 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[N@H+](C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204428031 562874457 /nfs/dbraw/zinc/87/44/57/562874457.db2.gz CFOHSRUUKVVVKK-VWLOTQADSA-N 1 1 516.650 4.273 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[N@@H+](C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204428031 562874456 /nfs/dbraw/zinc/87/44/56/562874456.db2.gz CFOHSRUUKVVVKK-VWLOTQADSA-N 1 1 516.650 4.273 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[N@H+](C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204428047 562874472 /nfs/dbraw/zinc/87/44/72/562874472.db2.gz CFOHSRUUKVVVKK-RUZDIDTESA-N 1 1 516.650 4.273 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[N@@H+](C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204428047 562874471 /nfs/dbraw/zinc/87/44/71/562874471.db2.gz CFOHSRUUKVVVKK-RUZDIDTESA-N 1 1 516.650 4.273 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2cnc(-c4cnn(C)c4[C@@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204429535 562874527 /nfs/dbraw/zinc/87/45/27/562874527.db2.gz GVSJCFDTODWJLS-HXUWFJFHSA-N 1 1 515.666 4.474 1 0 KIAFMO Cc1nc(-c2cn3c(n2)-c2cnc(-c4cnn(C)c4[C@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204429552 562874534 /nfs/dbraw/zinc/87/45/34/562874534.db2.gz GVSJCFDTODWJLS-FQEVSTJZSA-N 1 1 515.666 4.474 1 0 KIAFMO C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ccnc5c4)c3c2)C1 ZINC000205025621 562874816 /nfs/dbraw/zinc/87/48/16/562874816.db2.gz XENBJVLHVHCFBN-PXNSSMCTSA-N 1 1 500.553 4.449 1 0 KIAFMO C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ccnc5c4)c3c2)C1 ZINC000205025621 562874815 /nfs/dbraw/zinc/87/48/15/562874815.db2.gz XENBJVLHVHCFBN-PXNSSMCTSA-N 1 1 500.553 4.449 1 0 KIAFMO C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C1 ZINC000205026526 562874779 /nfs/dbraw/zinc/87/47/79/562874779.db2.gz YCODGWZMTYESKS-MAUKXSAKSA-N 1 1 502.525 4.337 1 0 KIAFMO C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C1 ZINC000205026526 562874778 /nfs/dbraw/zinc/87/47/78/562874778.db2.gz YCODGWZMTYESKS-MAUKXSAKSA-N 1 1 502.525 4.337 1 0 KIAFMO C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C[C@H](Cc2c(F)cccc2F)C1 ZINC000205026566 562874771 /nfs/dbraw/zinc/87/47/71/562874771.db2.gz YCODGWZMTYESKS-CRAIPNDOSA-N 1 1 502.525 4.337 1 0 KIAFMO C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C[C@H](Cc2c(F)cccc2F)C1 ZINC000205026566 562874770 /nfs/dbraw/zinc/87/47/70/562874770.db2.gz YCODGWZMTYESKS-CRAIPNDOSA-N 1 1 502.525 4.337 1 0 KIAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C[C@H](C)C1 ZINC000205034201 562874804 /nfs/dbraw/zinc/87/48/04/562874804.db2.gz LFWKLWZFIMYEFJ-FXAWDEMLSA-N 1 1 513.577 4.061 1 0 KIAFMO COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C[C@H](C)C1 ZINC000205034201 562874803 /nfs/dbraw/zinc/87/48/03/562874803.db2.gz LFWKLWZFIMYEFJ-FXAWDEMLSA-N 1 1 513.577 4.061 1 0 KIAFMO Cc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(C[NH+]5CCN(C)CC5)cc4)n[nH]3)cc2C)no1 ZINC000205328191 562875074 /nfs/dbraw/zinc/87/50/74/562875074.db2.gz RFGBGVONINGLAB-UHFFFAOYSA-N 1 1 528.617 4.325 1 0 KIAFMO CN1CC[NH+](C23C[C@@H](c4ccccc4)C([C@H](c4ccccc4)C2)[C@@H](NC(=O)CN2CCCCC2)C3)CC1 ZINC000205390956 562875289 /nfs/dbraw/zinc/87/52/89/562875289.db2.gz ZKNKOWOWSYGTCT-XVCJHKRJSA-N 1 1 500.731 4.325 1 0 KIAFMO COc1cc2ncnc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)c2cc1OCCC[NH+]1CCOCC1 ZINC000205454924 562875449 /nfs/dbraw/zinc/87/54/49/562875449.db2.gz WDOGCXAEDCAQGJ-UHFFFAOYSA-N 1 1 528.613 4.318 1 0 KIAFMO CC(=O)N(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205713047 562875735 /nfs/dbraw/zinc/87/57/35/562875735.db2.gz HGJPYPOIFNMQKP-UHFFFAOYSA-N 1 1 586.733 4.261 1 0 KIAFMO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(NC3CCOCC3)c2C)c(=O)[nH]1 ZINC000205714518 562875800 /nfs/dbraw/zinc/87/58/00/562875800.db2.gz HKMWGEDYIRAFJN-UHFFFAOYSA-N 1 1 544.696 4.320 1 0 KIAFMO COCCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205715608 562875787 /nfs/dbraw/zinc/87/57/87/562875787.db2.gz PFBMTWHNCXBITJ-UHFFFAOYSA-N 1 1 602.776 4.361 1 0 KIAFMO Cc1[nH]c(C=C2C(=O)Nc3cc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)ccc32)c(C)c1CC(=O)N1CC[NH+](C)CC1 ZINC000205818425 562875979 /nfs/dbraw/zinc/87/59/79/562875979.db2.gz HEQLUSURCKICSE-YSMPRRRNSA-N 1 1 608.674 4.187 1 0 KIAFMO Cc1[nH]c(C=C2C(=O)Nc3cc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)ccc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000205821490 562875945 /nfs/dbraw/zinc/87/59/45/562875945.db2.gz NWKFHVPDBIKOGN-IWIPYMOSSA-N 1 1 594.647 4.259 1 0 KIAFMO CN1CC[NH+](Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)CC1 ZINC000207296711 562876718 /nfs/dbraw/zinc/87/67/18/562876718.db2.gz DLCDLTNFAGTBSG-UHFFFAOYSA-N 1 1 500.628 4.139 1 0 KIAFMO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000214152056 562877299 /nfs/dbraw/zinc/87/72/99/562877299.db2.gz SOSWHKBUEPJZCA-MOHJPFBDSA-N 1 1 506.610 4.365 1 0 KIAFMO O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000220409315 562878435 /nfs/dbraw/zinc/87/84/35/562878435.db2.gz KAUIKFBUHKMLGO-RPLLCQBOSA-N 1 1 583.714 4.404 1 0 KIAFMO O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccncc3)n[nH]2)c1 ZINC000220427243 562878482 /nfs/dbraw/zinc/87/84/82/562878482.db2.gz PVOSUSFJQOIVAW-WNCULLNHSA-N 1 1 583.718 4.347 1 0 KIAFMO C[NH+]1CCN(C(=O)c2ccc(/C=C3\C(=O)Nc4ccc(-c5csc(-c6ccccc6)n5)cc43)[nH]c2=O)CC1 ZINC000221772410 562879229 /nfs/dbraw/zinc/87/92/29/562879229.db2.gz VWCQLHXNUPMPAA-KQWNVCNZSA-N 1 1 523.618 4.046 1 0 KIAFMO Cn1c2nc(Nc3ccc(NCC[NH+]4CCOCC4)cc3)nc(N)c2cc(-c2c(Cl)cccc2Cl)c1=O ZINC000221978067 562879503 /nfs/dbraw/zinc/87/95/03/562879503.db2.gz MBHCJIOEWNVDOP-UHFFFAOYSA-N 1 1 540.455 4.372 1 0 KIAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CCCC[C@@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000223009522 562880049 /nfs/dbraw/zinc/88/00/49/562880049.db2.gz MFOWDSSKCHODLN-UKILVPOCSA-N 1 1 547.773 4.055 1 0 KIAFMO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CC[N@H+]3CCCC[C@@H]3C)C(=O)[C@@H]3[C@@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@]32O4)[C@H]1C ZINC000245236532 562881457 /nfs/dbraw/zinc/88/14/57/562881457.db2.gz UCZXFTYSBQUYFD-ALSAXHPUSA-N 1 1 583.173 4.244 1 0 KIAFMO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CC[N@H+]3CCCC[C@@H]3C)C(=O)[C@@H]3[C@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@]32O4)[C@@H]1C ZINC000245236533 562881469 /nfs/dbraw/zinc/88/14/69/562881469.db2.gz UCZXFTYSBQUYFD-OFBOUHBVSA-N 1 1 583.173 4.244 1 0 KIAFMO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CC[N@H+]3CCCC[C@@H]3C)C(=O)[C@@H]3[C@H](C(=O)Nc4cccc(Cl)c4)[C@H]4C=C[C@]32O4)[C@H]1C ZINC000245236534 562881488 /nfs/dbraw/zinc/88/14/88/562881488.db2.gz UCZXFTYSBQUYFD-OKCLZUJVSA-N 1 1 583.173 4.244 1 0 KIAFMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253637313 581100035 /nfs/dbraw/zinc/10/00/35/581100035.db2.gz FFALBTXIOBRXDI-QPPBQGQZSA-N 1 1 532.914 4.107 1 0 KIAFMO C[N@H+]1CCC[C@H](NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)C1 ZINC000253637315 581100012 /nfs/dbraw/zinc/10/00/12/581100012.db2.gz FFALBTXIOBRXDI-URXFXBBRSA-N 1 1 532.914 4.107 1 0 KIAFMO COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+]([C@@H]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)C[C@@H]1C ZINC000253665574 562882663 /nfs/dbraw/zinc/88/26/63/562882663.db2.gz DKLRSPPRSZUSAH-BLLQJBLSSA-N 1 1 545.650 4.357 1 0 KIAFMO Cc1nc(Cc2nc3cc(-c4nn([C@H]5CC[C@H]([NH+]6CCOCC6)CC5)c5ncnc(N)c45)ccc3[nH]2)cs1 ZINC000253669629 562882714 /nfs/dbraw/zinc/88/27/14/562882714.db2.gz STAAEKNKOMTDTG-MXVIHJGJSA-N 1 1 529.674 4.123 1 0 KIAFMO CCOC(=O)CCC(=O)N1CC[NH+](CCCOc2cc3c(cc2OC)ncnc3Nc2ccc(F)c(Cl)c2)CC1 ZINC000299824488 562883273 /nfs/dbraw/zinc/88/32/73/562883273.db2.gz LEONMJNJURGIOJ-UHFFFAOYSA-N 1 1 574.053 4.431 1 0 KIAFMO CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000299827275 562884117 /nfs/dbraw/zinc/88/41/17/562884117.db2.gz GBPHFEPZIBQNJV-KKVCJECGSA-N 1 1 533.053 4.275 1 0 KIAFMO CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@@H](c2ccc(Cl)cc2)C[N@H+](C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000299827275 562884116 /nfs/dbraw/zinc/88/41/16/562884116.db2.gz GBPHFEPZIBQNJV-KKVCJECGSA-N 1 1 533.053 4.275 1 0 KIAFMO CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@H](c2ccc(Cl)cc2)C[N@@H+](C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000299827278 562884094 /nfs/dbraw/zinc/88/40/94/562884094.db2.gz GBPHFEPZIBQNJV-QLCOJLISSA-N 1 1 533.053 4.275 1 0 KIAFMO CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@H](c2ccc(Cl)cc2)C[N@H+](C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000299827278 562884093 /nfs/dbraw/zinc/88/40/93/562884093.db2.gz GBPHFEPZIBQNJV-QLCOJLISSA-N 1 1 533.053 4.275 1 0 KIAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1cc(COc3ccccc3NC(=O)c3cccc(C)c3)nn1)CC2 ZINC000299827363 562884136 /nfs/dbraw/zinc/88/41/36/562884136.db2.gz GGVNQTBTKKHSFU-UHFFFAOYSA-N 1 1 527.625 4.493 1 0 KIAFMO COc1cc2c(cc1OC)C[N@H+](CCn1cc(COc3ccccc3NC(=O)c3cccc(C)c3)nn1)CC2 ZINC000299827363 562884135 /nfs/dbraw/zinc/88/41/35/562884135.db2.gz GGVNQTBTKKHSFU-UHFFFAOYSA-N 1 1 527.625 4.493 1 0 KIAFMO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCN2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000299828959 562884695 /nfs/dbraw/zinc/88/46/95/562884695.db2.gz HMXOIRBAYFRNIS-GOSISDBHSA-N 1 1 550.503 4.474 1 0 KIAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H](Cc1ccccc1)N(C)C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N(C)C ZINC000299830322 562885234 /nfs/dbraw/zinc/88/52/34/562885234.db2.gz MMGUEXKWXRKQHV-ORYMTKCHSA-N 1 1 565.872 4.477 1 0 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UDULYXFKIFOLFG-CIMCOABOSA-N 1 1 502.486 4.237 1 0 KIAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@H](O)C3)[C@H]21 ZINC000299832834 562885993 /nfs/dbraw/zinc/88/59/93/562885993.db2.gz UDULYXFKIFOLFG-SHXYWKPHSA-N 1 1 502.486 4.237 1 0 KIAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@@H](O)C3)[C@@H]21 ZINC000299832837 562885982 /nfs/dbraw/zinc/88/59/82/562885982.db2.gz UDULYXFKIFOLFG-XFHZLPGWSA-N 1 1 502.486 4.237 1 0 KIAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]([N@H+]3CC[C@@H](O)C3)[C@H]21 ZINC000299832840 562885975 /nfs/dbraw/zinc/88/59/75/562885975.db2.gz UDULYXFKIFOLFG-YNZATZHVSA-N 1 1 502.486 4.237 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3ccc(C)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000299833308 562886141 /nfs/dbraw/zinc/88/61/41/562886141.db2.gz RMKQIESLEHGQAX-QNMIOERPSA-N 1 1 507.539 4.108 1 0 KIAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4ccc(F)cc34)cc2)c1C ZINC000299836027 562887034 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CS(=O)(=O)Oc1ccc2c(c1)CC[N@H+](CC[C@H]1CC[C@H](NC(=O)c3cccc4ncccc43)CC1)CC2 ZINC000299846549 562889697 /nfs/dbraw/zinc/88/96/97/562889697.db2.gz UFTZKVBEKDPBGS-SAIGFBBZSA-N 1 1 521.683 4.353 1 0 KIAFMO CS(=O)(=O)Oc1ccc2c(c1)CC[N@H+](CC[C@H]1CC[C@H](NC(=O)/C=C/c3cccc(F)c3)CC1)CC2 ZINC000299846873 562889721 /nfs/dbraw/zinc/88/97/21/562889721.db2.gz SSFMZMLRDNPXOT-AOJFSQSVSA-N 1 1 514.663 4.343 1 0 KIAFMO COc1ccccc1/C=C/C(=O)N[C@H]1CC[C@H](CC[N@H+]2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1 ZINC000299847093 562889821 /nfs/dbraw/zinc/88/98/21/562889821.db2.gz XBEFTADDFPJGTJ-OBEGXNAASA-N 1 1 526.699 4.213 1 0 KIAFMO C[N@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CCN3CCC[C@H]3C(N)=O)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000299849076 562890432 /nfs/dbraw/zinc/89/04/32/562890432.db2.gz UTOMVINEBKPXSA-MHZLTWQESA-N 1 1 547.659 4.414 1 0 KIAFMO CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)C[NH3+])C4(C)C)C(C)(C)O ZINC000299849305 562890478 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ZINC000299857328 562892166 /nfs/dbraw/zinc/89/21/66/562892166.db2.gz NABRBUNCQKXEBI-HSZRJFAPSA-N 1 1 579.182 4.389 1 0 KIAFMO Cc1ccc(N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000299857329 562892189 /nfs/dbraw/zinc/89/21/89/562892189.db2.gz NABRBUNCQKXEBI-QHCPKHFHSA-N 1 1 579.182 4.389 1 0 KIAFMO C[N@@H+](CCNCc1cn(-c2ccc(Br)cc2)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299859830 562892825 /nfs/dbraw/zinc/89/28/25/562892825.db2.gz IKKLMKQAQQEPCS-UHFFFAOYSA-N 1 1 514.859 4.365 1 0 KIAFMO C[N@@H+](CCNCc1cn(CC(=O)Nc2cccc3ccc(O)cc32)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299861202 562893249 /nfs/dbraw/zinc/89/32/49/562893249.db2.gz KWYNYKBIBXMIAA-UHFFFAOYSA-N 1 1 559.074 4.111 1 0 KIAFMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4C[C@H]5CC[C@@H](C4)O5)cc3)c2c1 ZINC000299862523 562893622 /nfs/dbraw/zinc/89/36/22/562893622.db2.gz NFYUYUYGKIFATR-WMPKNSHKSA-N 1 1 529.685 4.362 1 0 KIAFMO C[NH+]1CCN(Cc2csc(-c3ccc(N4C[C@H](CNC(=O)c5ccc(Cl)s5)OC4=O)cc3)n2)CC1 ZINC000299863454 562893835 /nfs/dbraw/zinc/89/38/35/562893835.db2.gz OZEMZPXPXUZPSB-IBGZPJMESA-N 1 1 532.091 4.028 1 0 KIAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCC[NH+]3CCN(C)CC3)O5)ccc2OC)c1 ZINC000299863636 562893891 /nfs/dbraw/zinc/89/38/91/562893891.db2.gz PKOLOOFCTFPFCC-GDLZYMKVSA-N 1 1 612.683 4.457 1 0 KIAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCC[NH+]3CCN(C)CC3)O5)ccc2OC)c1 ZINC000299863638 562893875 /nfs/dbraw/zinc/89/38/75/562893875.db2.gz PKOLOOFCTFPFCC-LJAQVGFWSA-N 1 1 612.683 4.457 1 0 KIAFMO CN1CCN(c2ccc(-c3n[nH]c4ccc(NC(=O)[C@@H](c5ccsc5)[NH+]5CCCC5)cc43)cc2S(C)(=O)=O)CC1 ZINC000299864212 562894027 /nfs/dbraw/zinc/89/40/27/562894027.db2.gz QVKVFYBZMQLAFE-MUUNZHRXSA-N 1 1 578.764 4.222 1 0 KIAFMO CN1CCN(c2ccc(-c3n[nH]c4ccc(NC(=O)[C@H](c5ccsc5)[NH+]5CCCC5)cc43)cc2S(C)(=O)=O)CC1 ZINC000299864213 562894025 /nfs/dbraw/zinc/89/40/25/562894025.db2.gz QVKVFYBZMQLAFE-NDEPHWFRSA-N 1 1 578.764 4.222 1 0 KIAFMO CCC[N@@H+](CCCNC(=O)CCCC(=O)Oc1ccc(CCNc2nc3nc(-c4ccco4)nn3c(N)n2)cc1)CCc1cccc2c1CC(=O)N2 ZINC000299864317 562894085 /nfs/dbraw/zinc/89/40/85/562894085.db2.gz MCVRJCMPRFQPOR-UHFFFAOYSA-N 1 1 708.824 4.047 1 0 KIAFMO C[N@@H+](CCNCc1cn(Cc2ccc(Br)cc2)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299864448 562894113 /nfs/dbraw/zinc/89/41/13/562894113.db2.gz RGNXSVZVIIMGKH-UHFFFAOYSA-N 1 1 528.886 4.424 1 0 KIAFMO C[NH+]1CCN(CCCCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1 ZINC000299864521 562894150 /nfs/dbraw/zinc/89/41/50/562894150.db2.gz RQBZZEDXQSBJPJ-UHFFFAOYSA-N 1 1 546.647 4.341 1 0 KIAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CC[NH+]3CCN(C)CC3)O5)ccc2OC)c1 ZINC000299864918 562894246 /nfs/dbraw/zinc/89/42/46/562894246.db2.gz SDVIQLAIXHKBLY-MUUNZHRXSA-N 1 1 598.656 4.067 1 0 KIAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CC[NH+]3CCN(C)CC3)O5)ccc2OC)c1 ZINC000299864919 562894266 /nfs/dbraw/zinc/89/42/66/562894266.db2.gz SDVIQLAIXHKBLY-NDEPHWFRSA-N 1 1 598.656 4.067 1 0 KIAFMO Nc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299864921 562894238 /nfs/dbraw/zinc/89/42/38/562894238.db2.gz SDXXOBJFUGAGFS-UHFFFAOYSA-N 1 1 527.669 4.301 1 0 KIAFMO C[NH+]1CCN(c2ccc(NC(=O)C3(C(=O)Nc4ccc(-c5cccc6onc(N)c65)cc4)CC3)cc2F)CC1 ZINC000299865414 562894409 /nfs/dbraw/zinc/89/44/09/562894409.db2.gz NSGPVUXWBIURMV-UHFFFAOYSA-N 1 1 528.588 4.325 1 0 KIAFMO CCC[N@@H+](CCCNC(=O)CCCNC(=O)CCCOc1ccc(CCNc2nc3nc(-c4ccco4)nn3c(N)n2)cc1)CCc1cccc2c1CC(=O)N2 ZINC000299868126 562894995 /nfs/dbraw/zinc/89/49/95/562894995.db2.gz QXKURYVTBSPJPI-UHFFFAOYSA-N 1 1 765.920 4.027 1 0 KIAFMO CC(C)C[C@H](NC(=O)C[NH+]1CCC(CCO)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccccc1 ZINC000299869739 562895398 /nfs/dbraw/zinc/89/53/98/562895398.db2.gz VIWXLZMTBBURJD-OXSNFKKISA-N 1 1 723.931 4.209 1 0 KIAFMO COc1cc2c(cc1OC)C[N@@H+](CCCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299870464 562895457 /nfs/dbraw/zinc/89/54/57/562895457.db2.gz WIDKZUOFPWXKCY-UHFFFAOYSA-N 1 1 545.684 4.312 1 0 KIAFMO COC(=O)C/C=C\[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1S(=O)(=O)c1cc(Br)c(Br)s1)[C@@H]23 ZINC000299871894 562895794 /nfs/dbraw/zinc/89/57/94/562895794.db2.gz ZJRKRNBJCNOYDP-ABEUPQFOSA-N 1 1 582.380 4.256 1 0 KIAFMO CCOC(=O)CNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086042 562897005 /nfs/dbraw/zinc/89/70/05/562897005.db2.gz AOAWLZXTQLXDGR-HHHXNRCGSA-N 1 1 531.653 4.137 1 0 KIAFMO CCOC(=O)CNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086049 562897013 /nfs/dbraw/zinc/89/70/13/562897013.db2.gz AOAWLZXTQLXDGR-MHZLTWQESA-N 1 1 531.653 4.137 1 0 KIAFMO c1ccc(-c2nc3ncccn3c2CN2CC[NH+](Cc3c(-c4ccccc4)nc4ncccn34)CC2)cc1 ZINC000473086315 562897046 /nfs/dbraw/zinc/89/70/46/562897046.db2.gz HHTSLCNMLHJGLA-UHFFFAOYSA-N 1 1 500.610 4.424 1 0 KIAFMO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1[C@@H]1CC[N@@H+](C)C1 ZINC000473087297 562897164 /nfs/dbraw/zinc/89/71/64/562897164.db2.gz DZVODHNZQRKXON-GOSISDBHSA-N 1 1 562.140 4.469 1 0 KIAFMO Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1[C@H]1CC[N@@H+](C)C1 ZINC000473087301 562897159 /nfs/dbraw/zinc/89/71/59/562897159.db2.gz DZVODHNZQRKXON-SFHVURJKSA-N 1 1 562.140 4.469 1 0 KIAFMO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@H](CC)c2ccccc2)C(=O)C1=O ZINC000473098445 562898008 /nfs/dbraw/zinc/89/80/08/562898008.db2.gz FZUNFUBTNGTNHB-AWSJBNSNSA-N 1 1 723.915 4.076 1 0 KIAFMO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(C[C@@H](CC)c2ccccc2)C(=O)C1=O ZINC000473099084 562897984 /nfs/dbraw/zinc/89/79/84/562897984.db2.gz FZUNFUBTNGTNHB-KNVKFPPZSA-N 1 1 723.915 4.076 1 0 KIAFMO CCNC(=O)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473100633 562898066 /nfs/dbraw/zinc/89/80/66/562898066.db2.gz IXUBYQKFAWZZCD-AREMUKBSSA-N 1 1 516.642 4.304 1 0 KIAFMO CCNC(=O)Nc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473100633 562898065 /nfs/dbraw/zinc/89/80/65/562898065.db2.gz IXUBYQKFAWZZCD-AREMUKBSSA-N 1 1 516.642 4.304 1 0 KIAFMO CCNC(=O)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473100634 562898053 /nfs/dbraw/zinc/89/80/53/562898053.db2.gz IXUBYQKFAWZZCD-SANMLTNESA-N 1 1 516.642 4.304 1 0 KIAFMO CCNC(=O)Nc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473100634 562898052 /nfs/dbraw/zinc/89/80/52/562898052.db2.gz IXUBYQKFAWZZCD-SANMLTNESA-N 1 1 516.642 4.304 1 0 KIAFMO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCC[N@H+]1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2OC)C1 ZINC000473104049 562898145 /nfs/dbraw/zinc/89/81/45/562898145.db2.gz OADACFOUZJRVTL-OBXBIWFYSA-N 1 1 587.717 4.163 1 0 KIAFMO C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(F)c(N4CC[NH+](C)CC4)cc3F)ncc2Cl)c1 ZINC000473105035 562898187 /nfs/dbraw/zinc/89/81/87/562898187.db2.gz REPXBTZAEANJJR-UHFFFAOYSA-N 1 1 513.980 4.062 1 0 KIAFMO C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CC[NH+](C)CC4)c(Cl)c3)ncc2Cl)c1 ZINC000473106850 562898261 /nfs/dbraw/zinc/89/82/61/562898261.db2.gz YFTFCIRIRKKHTO-UHFFFAOYSA-N 1 1 512.445 4.437 1 0 KIAFMO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O ZINC000473108265 562898372 /nfs/dbraw/zinc/89/83/72/562898372.db2.gz LTJNQSQTVHCHJA-MDPQSTDRSA-N 1 1 753.985 4.489 1 0 KIAFMO CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CC[NH+](C)CC5)nc(C)n4)s3)cc2)no1 ZINC000473111423 562898586 /nfs/dbraw/zinc/89/85/86/562898586.db2.gz ZJXBNNBYIKZSJP-UHFFFAOYSA-N 1 1 519.635 4.020 1 0 KIAFMO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC23CC4CC(CC(C4)C2)C3)C(=O)C1=O ZINC000473111438 562898600 /nfs/dbraw/zinc/89/86/00/562898600.db2.gz ZLLUKOYZOWEAAX-IMQYSQPFSA-N 1 1 739.958 4.099 1 0 KIAFMO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O ZINC000473118828 562899248 /nfs/dbraw/zinc/89/92/48/562899248.db2.gz LTJNQSQTVHCHJA-IQNRKXJZSA-N 1 1 753.985 4.489 1 0 KIAFMO CCN([C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000473124793 562899659 /nfs/dbraw/zinc/89/96/59/562899659.db2.gz XDQSDBOCBATCPK-KNQAVFIVSA-N 1 1 569.732 4.269 1 0 KIAFMO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000473124793 562899658 /nfs/dbraw/zinc/89/96/58/562899658.db2.gz XDQSDBOCBATCPK-KNQAVFIVSA-N 1 1 569.732 4.269 1 0 KIAFMO CCN([C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000473124797 562899666 /nfs/dbraw/zinc/89/96/66/562899666.db2.gz XDQSDBOCBATCPK-UGKGYDQZSA-N 1 1 569.732 4.269 1 0 KIAFMO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000473124797 562899665 /nfs/dbraw/zinc/89/96/65/562899665.db2.gz XDQSDBOCBATCPK-UGKGYDQZSA-N 1 1 569.732 4.269 1 0 KIAFMO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@H+]1C[C@@H](CC1CCCCC1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C(=O)C1=O ZINC000473126156 562899740 /nfs/dbraw/zinc/89/97/40/562899740.db2.gz ZEPWGRQYGKUKNA-KFIZHRIMSA-N 1 1 669.911 4.442 1 0 KIAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC[N@H+](C1COC1)C2 ZINC000473132757 562900311 /nfs/dbraw/zinc/90/03/11/562900311.db2.gz WCCLJJOUCIHEBN-UHFFFAOYSA-N 1 1 558.104 4.377 1 0 KIAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC[N@@H+](C1COC1)C2 ZINC000473132757 562900310 /nfs/dbraw/zinc/90/03/10/562900310.db2.gz WCCLJJOUCIHEBN-UHFFFAOYSA-N 1 1 558.104 4.377 1 0 KIAFMO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000473164952 562902817 /nfs/dbraw/zinc/90/28/17/562902817.db2.gz GQJNHJAUDJTLRY-HSZRJFAPSA-N 1 1 515.639 4.160 1 0 KIAFMO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000473164953 562902834 /nfs/dbraw/zinc/90/28/34/562902834.db2.gz GQJNHJAUDJTLRY-QHCPKHFHSA-N 1 1 515.639 4.160 1 0 KIAFMO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000473243771 562904708 /nfs/dbraw/zinc/90/47/08/562904708.db2.gz ALWTVFUIPPAQBH-AJQTZOPKSA-N 1 1 612.771 4.189 1 0 KIAFMO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000473243773 562904719 /nfs/dbraw/zinc/90/47/19/562904719.db2.gz ALWTVFUIPPAQBH-ROJLCIKYSA-N 1 1 612.771 4.189 1 0 KIAFMO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000473243774 562904711 /nfs/dbraw/zinc/90/47/11/562904711.db2.gz ALWTVFUIPPAQBH-ZWXJPIIXSA-N 1 1 612.771 4.189 1 0 KIAFMO O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCC[NH+]4CCN(CCO)CC4)ccc32)cc1 ZINC000473244604 562904867 /nfs/dbraw/zinc/90/48/67/562904867.db2.gz OTNOYFYUHQDZEF-UHFFFAOYSA-N 1 1 555.683 4.074 1 0 KIAFMO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN(C)C)nc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000473245124 562904928 /nfs/dbraw/zinc/90/49/28/562904928.db2.gz VKWWPDDRNRHXJE-OGLKEZPNSA-N 1 1 530.717 4.472 1 0 KIAFMO O=C(Nc1ccc(Nc2ncnc3cc(OCCC[NH+]4CCN(CCO)CC4)ccc32)cc1)NC1CCCCC1 ZINC000473245161 562904930 /nfs/dbraw/zinc/90/49/30/562904930.db2.gz WKQYYQRZLFKGNG-UHFFFAOYSA-N 1 1 547.704 4.206 1 0 KIAFMO CCC(=O)Oc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603962 562905256 /nfs/dbraw/zinc/90/52/56/562905256.db2.gz DDLCQPDCAXABDI-AREMUKBSSA-N 1 1 502.611 4.478 1 0 KIAFMO CCC(=O)Oc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603962 562905255 /nfs/dbraw/zinc/90/52/55/562905255.db2.gz DDLCQPDCAXABDI-AREMUKBSSA-N 1 1 502.611 4.478 1 0 KIAFMO CCC(=O)Oc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603963 562905278 /nfs/dbraw/zinc/90/52/78/562905278.db2.gz DDLCQPDCAXABDI-SANMLTNESA-N 1 1 502.611 4.478 1 0 KIAFMO CCC(=O)Oc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603963 562905277 /nfs/dbraw/zinc/90/52/77/562905277.db2.gz DDLCQPDCAXABDI-SANMLTNESA-N 1 1 502.611 4.478 1 0 KIAFMO COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC(C)(C)OC(=O)C[NH3+] ZINC000474610080 562905804 /nfs/dbraw/zinc/90/58/04/562905804.db2.gz ZYBWJSGMCOVTSU-UHFFFAOYSA-N 1 1 514.003 4.436 1 0 KIAFMO CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C=C2c3cc(-c4n[nH]c5c4cccc5N)ccc3NC2=O)c1C ZINC000653678287 562906291 /nfs/dbraw/zinc/90/62/91/562906291.db2.gz YLBYERPHEDWTCB-QNGOZBTKSA-N 1 1 511.630 4.321 1 0 KIAFMO CN1CC[C@@H]([N@@H+](C)CC2CCN(c3nc(N4CCCC[C@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653685033 562906422 /nfs/dbraw/zinc/90/64/22/562906422.db2.gz MFOWDSSKCHODLN-NOZRDPDXSA-N 1 1 547.773 4.055 1 0 KIAFMO CN1CC[C@H]([N@@H+](C)CC2CCN(c3nc(N4CCCC[C@H]4C(N)=O)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000653685035 562906476 /nfs/dbraw/zinc/90/64/76/562906476.db2.gz MFOWDSSKCHODLN-ZCYQVOJMSA-N 1 1 547.773 4.055 1 0 KIAFMO COc1ccc(OCc2cn(-c3ccc(CC[N@H+]4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1 ZINC000653720677 562908727 /nfs/dbraw/zinc/90/87/27/562908727.db2.gz 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Cc1ccc(-c2nnc(-c3ccc(C[NH+]4CCN(CCO)CC4)cc3)o2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653797783 562913187 /nfs/dbraw/zinc/91/31/87/562913187.db2.gz JNFNONBSOKXELL-UHFFFAOYSA-N 1 1 548.651 4.418 1 0 KIAFMO CCC[N@@H+](CCN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000653807452 562913718 /nfs/dbraw/zinc/91/37/18/562913718.db2.gz CPIPFYMSMCPKII-FQEVSTJZSA-N 1 1 531.568 4.356 1 0 KIAFMO CCC[N@@H+](CCN1CCN(Cc2c[nH]c3ccc(Br)cc23)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000653807457 562913707 /nfs/dbraw/zinc/91/37/07/562913707.db2.gz CPIPFYMSMCPKII-HXUWFJFHSA-N 1 1 531.568 4.356 1 0 KIAFMO [NH3+][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 562914622 /nfs/dbraw/zinc/91/46/22/562914622.db2.gz AOQCYGJNZZJEEH-ZKBLBJRCSA-N 1 1 639.597 4.175 1 0 KIAFMO CN(C)C1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCN(c2ncnc3[nH]c4c(c32)CCCC4)CC1 ZINC000653841674 562914909 /nfs/dbraw/zinc/91/49/09/562914909.db2.gz VUFXATHBRBCDNJ-UHFFFAOYSA-N 1 1 515.706 4.362 1 0 KIAFMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(-c4cc(C(=O)NC56CC7CC(CC(C7)C5)C6)no4)cn3)cc2)CC1 ZINC000653842111 562914882 /nfs/dbraw/zinc/91/48/82/562914882.db2.gz INNQIPMWPGABLU-UHFFFAOYSA-N 1 1 525.653 4.490 1 0 KIAFMO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(Cl)cc4Cl)cn3C)cn2C)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000653843524 562915036 /nfs/dbraw/zinc/91/50/36/562915036.db2.gz SFJVFYZWRUISLR-UHFFFAOYSA-N 1 1 683.597 4.218 1 0 KIAFMO CO[C@]12CC[C@@]3(C[C@@H]1C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1C)[C@H]2O5 ZINC000653845362 562915139 /nfs/dbraw/zinc/91/51/39/562915139.db2.gz ZJWLLKDFIVSMLY-WUHZNUJESA-N 1 1 569.743 4.038 1 0 KIAFMO COCCC[N@H+]1CCCC12CCN(c1c(Cl)cncc1-c1ccc3c(c1)CS(=O)(=O)N3C)CC2 ZINC000653845386 562915146 /nfs/dbraw/zinc/91/51/46/562915146.db2.gz KBJXKLULHUAKPC-UHFFFAOYSA-N 1 1 505.084 4.153 1 0 KIAFMO COc1ccc(Cn2c([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)[NH3+])nnc2[C@@H](N)Cc2ccccc2)cc1 ZINC000653848774 562915381 /nfs/dbraw/zinc/91/53/81/562915381.db2.gz PYJJUYCZUODGJC-XTEPFMGCSA-N 1 1 551.695 4.196 1 0 KIAFMO COc1cc(CCc2cc(Nc3ncnc4cc(N5C[C@@H](C)[N@H+](C)[C@@H](C)C5)ccc43)n[nH]2)cc(OC)c1 ZINC000653849019 562915364 /nfs/dbraw/zinc/91/53/64/562915364.db2.gz YZGHBQVWFXWJBG-KDURUIRLSA-N 1 1 501.635 4.428 1 0 KIAFMO COc1ccc(Cn2c([C@H](N)Cc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])cc1 ZINC000653856270 562915727 /nfs/dbraw/zinc/91/57/27/562915727.db2.gz PYJJUYCZUODGJC-IXCJQBJRSA-N 1 1 551.695 4.196 1 0 KIAFMO S=C(NCCC[NH+]1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000653882148 562916823 /nfs/dbraw/zinc/91/68/23/562916823.db2.gz OBDIAJMTIKZKPR-UHFFFAOYSA-N 1 1 501.454 4.145 1 0 KIAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 ZINC000653890273 562917156 /nfs/dbraw/zinc/91/71/56/562917156.db2.gz LADZEDJLZMYAMP-HEMJVKPTSA-N 1 1 513.723 4.423 1 0 KIAFMO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]C3CCN(Cc5ccccc5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000003943679 561689646 /nfs/dbraw/zinc/68/96/46/561689646.db2.gz GQMFUALQPLOONU-QIXIFPRPSA-N 1 1 572.658 4.368 3 0 KIAFMO O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013634639 561722145 /nfs/dbraw/zinc/72/21/45/561722145.db2.gz RYVUHYGNJYJUDK-BVAGGSTKSA-N 1 1 529.475 4.297 3 0 KIAFMO O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCCCCO)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013634707 561722149 /nfs/dbraw/zinc/72/21/49/561722149.db2.gz RYVUHYGNJYJUDK-JYFHCDHNSA-N 1 1 529.475 4.297 3 0 KIAFMO O=C(NCCn1c2ccccc2nc1-c1ccncc1)[C@H]1CCCN1c1nc(C[NH+]2CCCCC2)cs1 ZINC000015934843 561753090 /nfs/dbraw/zinc/75/30/90/561753090.db2.gz FYCKVTAYILXUOD-RUZDIDTESA-N 1 1 515.687 4.326 3 0 KIAFMO O=C(NCCn1c2ccccc2nc1C(F)(F)F)[C@H]1CCCN1c1nc(C[NH+]2CCCCC2)cs1 ZINC000015934856 561753200 /nfs/dbraw/zinc/75/32/00/561753200.db2.gz XTEGRDTZUKSLRG-HXUWFJFHSA-N 1 1 506.598 4.283 3 0 KIAFMO CC(=O)n1cc([C@H]2C=C(C(=O)N3CC[NH+](Cc4ccccc4)CC3)O[C@@H](OCCCCO)C2)c2ccccc21 ZINC000017527414 561755315 /nfs/dbraw/zinc/75/53/15/561755315.db2.gz ZVBZZSNBJBCMBG-SETSBSEESA-N 1 1 531.653 4.149 3 0 KIAFMO CCO[C@H]1OC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@@H]1CCCO ZINC000017527420 561755336 /nfs/dbraw/zinc/75/53/36/561755336.db2.gz ZMUJCMNHHHWJTR-XKVZAPNPSA-N 1 1 545.680 4.395 3 0 KIAFMO CCO[C@@H]1OC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO ZINC000017527422 561755331 /nfs/dbraw/zinc/75/53/31/561755331.db2.gz ZMUJCMNHHHWJTR-BZNBAONSSA-N 1 1 545.680 4.395 3 0 KIAFMO CCCCCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCC[N@@H+]23)cc1OC ZINC000036386468 562060062 /nfs/dbraw/zinc/06/00/62/562060062.db2.gz FCPOMOYQQNOUJW-TZKYFUQOSA-N 1 1 502.677 4.441 3 0 KIAFMO CCCCCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCC[N@H+]23)cc1OC ZINC000036386468 562060060 /nfs/dbraw/zinc/06/00/60/562060060.db2.gz FCPOMOYQQNOUJW-TZKYFUQOSA-N 1 1 502.677 4.441 3 0 KIAFMO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(SC3CCCCC3)c(OC)c1)[N@H+]1CCCC[C@@]21C(=O)OC ZINC000036386491 562060118 /nfs/dbraw/zinc/06/01/18/562060118.db2.gz SAMGPVJLURRDON-TZKYFUQOSA-N 1 1 500.661 4.194 3 0 KIAFMO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(SC3CCCCC3)c(OC)c1)[N@@H+]1CCCC[C@@]21C(=O)OC ZINC000036386491 562060116 /nfs/dbraw/zinc/06/01/16/562060116.db2.gz SAMGPVJLURRDON-TZKYFUQOSA-N 1 1 500.661 4.194 3 0 KIAFMO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c1)[N@H+]1CCC[C@@]21C(=O)OC ZINC000036386504 562060148 /nfs/dbraw/zinc/06/01/48/562060148.db2.gz DBFOQBJWYGTICD-IFOBJOEFSA-N 1 1 517.409 4.352 3 0 KIAFMO O=C(CC[NH+]1CCOCC1)Nc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000038150058 562066263 /nfs/dbraw/zinc/06/62/63/562066263.db2.gz INPSVFPWIRGRPK-GGAORHGYSA-N 1 1 576.097 4.039 3 0 KIAFMO COc1ccc(OCCNC(=O)c2ccc3[nH+]c(C)c(N(C)Cc4ccc(NC(C)=O)cc4)n3c2)cc1 ZINC000061896205 562702904 /nfs/dbraw/zinc/70/29/04/562702904.db2.gz WQZLTDLBJUPGJE-UHFFFAOYSA-N 1 1 501.587 4.055 3 0 KIAFMO CCc1[nH+]c2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061897843 562702908 /nfs/dbraw/zinc/70/29/08/562702908.db2.gz QMRHLPXDMHWSJR-UHFFFAOYSA-N 1 1 526.479 4.428 3 0 KIAFMO CCc1[nH+]c2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061908823 562703142 /nfs/dbraw/zinc/70/31/42/562703142.db2.gz UGIFWAMVZYQCOW-UHFFFAOYSA-N 1 1 515.614 4.261 3 0 KIAFMO COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000061923658 562703494 /nfs/dbraw/zinc/70/34/94/562703494.db2.gz SLPUZIRKXPFKQK-ZNZIZOMTSA-N 1 1 504.612 4.254 3 0 KIAFMO COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000061923658 562703493 /nfs/dbraw/zinc/70/34/93/562703493.db2.gz SLPUZIRKXPFKQK-ZNZIZOMTSA-N 1 1 504.612 4.254 3 0 KIAFMO COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@H+]2Cc2cccs2)cc1 ZINC000061923780 562703554 /nfs/dbraw/zinc/70/35/54/562703554.db2.gz SLPUZIRKXPFKQK-TWJOJJKGSA-N 1 1 504.612 4.254 3 0 KIAFMO COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000061923780 562703553 /nfs/dbraw/zinc/70/35/53/562703553.db2.gz SLPUZIRKXPFKQK-TWJOJJKGSA-N 1 1 504.612 4.254 3 0 KIAFMO COc1ccc([C@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)C[N@H+]2Cc2cccs2)cc1 ZINC000061923832 562703534 /nfs/dbraw/zinc/70/35/34/562703534.db2.gz SUJIIVQNRQJYEI-ZNZIZOMTSA-N 1 1 504.612 4.254 3 0 KIAFMO COc1ccc([C@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@H](O)C[N@H+]2Cc2cccs2)cc1 ZINC000061923942 562703546 /nfs/dbraw/zinc/70/35/46/562703546.db2.gz SUJIIVQNRQJYEI-TWJOJJKGSA-N 1 1 504.612 4.254 3 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CC2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000061947737 562704117 /nfs/dbraw/zinc/70/41/17/562704117.db2.gz QISYZZFKDPPXSB-IEGUWTFLSA-N 1 1 522.671 4.111 3 0 KIAFMO COC(=O)[C@@]12CCCC[N@H+]1[C@H](c1ccc(-c3ccc(Cl)c(Cl)c3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000061959762 562704366 /nfs/dbraw/zinc/70/43/66/562704366.db2.gz VKMUSYHIOCDVTO-IFOBJOEFSA-N 1 1 517.409 4.352 3 0 KIAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066111906 562711901 /nfs/dbraw/zinc/71/19/01/562711901.db2.gz ILXPLMRUCOUZPQ-SXDGJLEOSA-N 1 1 551.709 4.148 3 0 KIAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccccc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066111906 562711900 /nfs/dbraw/zinc/71/19/00/562711900.db2.gz ILXPLMRUCOUZPQ-SXDGJLEOSA-N 1 1 551.709 4.148 3 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC1=O ZINC000066123362 562712457 /nfs/dbraw/zinc/71/24/57/562712457.db2.gz VKOMSRGQYVAYGT-KGTVSZMUSA-N 1 1 644.813 4.421 3 0 KIAFMO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc3c(c1)OCO3)O2 ZINC000066129532 562712978 /nfs/dbraw/zinc/71/29/78/562712978.db2.gz ALYALWIQXWRBMD-DLEQGYHRSA-N 1 1 579.654 4.016 3 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000066129545 562712970 /nfs/dbraw/zinc/71/29/70/562712970.db2.gz CUGBMLDXYRWSMY-WENCSYSZSA-N 1 1 567.708 4.203 3 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(C)(=O)=O)cccc2C1=O ZINC000066129545 562712969 /nfs/dbraw/zinc/71/29/69/562712969.db2.gz CUGBMLDXYRWSMY-WENCSYSZSA-N 1 1 567.708 4.203 3 0 KIAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000066129594 562713010 /nfs/dbraw/zinc/71/30/10/562713010.db2.gz AZLHPJSVCZJLQY-NPKFRGRUSA-N 1 1 574.678 4.340 3 0 KIAFMO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](C[N@@H+](C)Cc1ccc3c(c1)OCO3)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000066136412 562713133 /nfs/dbraw/zinc/71/31/33/562713133.db2.gz ROWKUSIEMFYXMA-DFXHWTJYSA-N 1 1 579.654 4.016 3 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066136544 562713214 /nfs/dbraw/zinc/71/32/14/562713214.db2.gz ACTORXYBNQFNIB-FYQCMVGJSA-N 1 1 561.720 4.359 3 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066136544 562713213 /nfs/dbraw/zinc/71/32/13/562713213.db2.gz ACTORXYBNQFNIB-FYQCMVGJSA-N 1 1 561.720 4.359 3 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066139197 562713460 /nfs/dbraw/zinc/71/34/60/562713460.db2.gz HHDPPBRLILUJJD-SXDGJLEOSA-N 1 1 515.654 4.220 3 0 KIAFMO CCOC(=O)CCCCCC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc3c(c1)OCO3)O2 ZINC000066148198 562713605 /nfs/dbraw/zinc/71/36/05/562713605.db2.gz BISACGUJYLJSPH-JWUQWVJQSA-N 1 1 611.736 4.220 3 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000066148724 562713672 /nfs/dbraw/zinc/71/36/72/562713672.db2.gz PDBJVVYDADTSQQ-KERYWQKISA-N 1 1 575.747 4.288 3 0 KIAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(C)(=O)=O)cc2C1=O ZINC000066148978 562713725 /nfs/dbraw/zinc/71/37/25/562713725.db2.gz ZLFRFYSINSZTGU-BXOOBUKZSA-N 1 1 567.708 4.203 3 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000066156491 562713792 /nfs/dbraw/zinc/71/37/92/562713792.db2.gz RVRUHTBBHJFIRX-OREGWCPLSA-N 1 1 543.730 4.220 3 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000066156491 562713791 /nfs/dbraw/zinc/71/37/91/562713791.db2.gz RVRUHTBBHJFIRX-OREGWCPLSA-N 1 1 543.730 4.220 3 0 KIAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000066165885 562713995 /nfs/dbraw/zinc/71/39/95/562713995.db2.gz ZPDOWIALCXLQTM-BALWLHIASA-N 1 1 551.684 4.286 3 0 KIAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C(=O)C1=O ZINC000072104719 562720603 /nfs/dbraw/zinc/72/06/03/562720603.db2.gz BYGUBNWCYLGIOO-KWRMZWAXSA-N 1 1 685.910 4.003 3 0 KIAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000072121345 562724235 /nfs/dbraw/zinc/72/42/35/562724235.db2.gz DTFATDQZWOUTRJ-YKKXUYLKSA-N 1 1 711.907 4.157 3 0 KIAFMO C(=C/c1ccccc1)\C[NH+]1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000072121385 562724240 /nfs/dbraw/zinc/72/42/40/562724240.db2.gz KNTLELBDUDFQGD-YVIREVMBSA-N 1 1 545.647 4.402 3 0 KIAFMO C(=C/c1ccccc1)\C[NH+]1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000072121386 562724212 /nfs/dbraw/zinc/72/42/12/562724212.db2.gz KNTLELBDUDFQGD-YQQIKOQYSA-N 1 1 545.647 4.402 3 0 KIAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000072123756 562724989 /nfs/dbraw/zinc/72/49/89/562724989.db2.gz NLJVYUBAATYPPI-KWRMZWAXSA-N 1 1 687.926 4.162 3 0 KIAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@H]2CCC[N@@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C(=O)C2=O)C1=O ZINC000072128004 562726017 /nfs/dbraw/zinc/72/60/17/562726017.db2.gz KNHRLMCRTBIIDK-SPWOZAQASA-N 1 1 749.953 4.296 3 0 KIAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000072128765 562726288 /nfs/dbraw/zinc/72/62/88/562726288.db2.gz DTFATDQZWOUTRJ-BSUMSBOOSA-N 1 1 711.907 4.157 3 0 KIAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C(=O)C2=O)C1=O ZINC000072134098 562727208 /nfs/dbraw/zinc/72/72/08/562727208.db2.gz JNZWRPLKWLONQR-QRIZJJBVSA-N 1 1 703.928 4.494 3 0 KIAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)C(=O)C(=O)N1CC1CCCCCC1 ZINC000072134129 562727194 /nfs/dbraw/zinc/72/71/94/562727194.db2.gz VJELDBOLPVFRPQ-WISKXVKBSA-N 1 1 699.937 4.393 3 0 KIAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000072135812 562727554 /nfs/dbraw/zinc/72/75/54/562727554.db2.gz IFSYEVLDBCFHDA-WISKXVKBSA-N 1 1 699.937 4.393 3 0 KIAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@H+]2CCC[C@@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CC1CCCCCC1 ZINC000072135836 562727616 /nfs/dbraw/zinc/72/76/16/562727616.db2.gz OXYNYOIVICVPNB-WISKXVKBSA-N 1 1 699.937 4.393 3 0 KIAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C(=O)C1=O ZINC000072136007 562727697 /nfs/dbraw/zinc/72/76/97/562727697.db2.gz VAWLDBGUBJOOPZ-GJBCSVNNSA-N 1 1 635.894 4.101 3 0 KIAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072136624 562728057 /nfs/dbraw/zinc/72/80/57/562728057.db2.gz VVRSDBHKTRDHNY-PFPZSTESSA-N 1 1 573.756 4.228 3 0 KIAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@H+](C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072136624 562728056 /nfs/dbraw/zinc/72/80/56/562728056.db2.gz VVRSDBHKTRDHNY-PFPZSTESSA-N 1 1 573.756 4.228 3 0 KIAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072136892 562728178 /nfs/dbraw/zinc/72/81/78/562728178.db2.gz BPIYHGYRVVJDMW-HQPLKVBUSA-N 1 1 737.942 4.064 3 0 KIAFMO C(=C/c1ccccc1)\C[NH+]1CCN([C@@H](CCc2ccccc2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072137892 562728482 /nfs/dbraw/zinc/72/84/82/562728482.db2.gz IOMVWGLDRNDMSO-XFNDTEKISA-N 1 1 522.653 4.438 3 0 KIAFMO C(=C/c1ccccc1)\C[NH+]1CCN([C@H](CCc2ccccc2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072137893 562728518 /nfs/dbraw/zinc/72/85/18/562728518.db2.gz IOMVWGLDRNDMSO-KJBIALHLSA-N 1 1 522.653 4.438 3 0 KIAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1cccc3ccccc31)CC2 ZINC000072138318 562728741 /nfs/dbraw/zinc/72/87/41/562728741.db2.gz WTHSUPXCWJNQQZ-PMERELPUSA-N 1 1 573.657 4.105 3 0 KIAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1cccc3ccccc31)CC2 ZINC000072138319 562728751 /nfs/dbraw/zinc/72/87/51/562728751.db2.gz WTHSUPXCWJNQQZ-SSEXGKCCSA-N 1 1 573.657 4.105 3 0 KIAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=O)C(=O)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072139524 562728956 /nfs/dbraw/zinc/72/89/56/562728956.db2.gz WRPUXOPECXDNRL-KWRMZWAXSA-N 1 1 687.926 4.162 3 0 KIAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C(=O)C2=O)C1=O ZINC000072139525 562728989 /nfs/dbraw/zinc/72/89/89/562728989.db2.gz JNZWRPLKWLONQR-GTKRZRNESA-N 1 1 703.928 4.494 3 0 KIAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CC1CCCCC1 ZINC000072139526 562728982 /nfs/dbraw/zinc/72/89/82/562728982.db2.gz TUJWBIAODLRAOG-WISKXVKBSA-N 1 1 669.911 4.298 3 0 KIAFMO COc1ccc(-n2nnnc2[C@@H](c2cccc3ccccc32)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072140860 562729204 /nfs/dbraw/zinc/72/92/04/562729204.db2.gz NTXLFOPRZOOAPQ-GDLZYMKVSA-N 1 1 545.647 4.342 3 0 KIAFMO COc1ccc(-n2nnnc2[C@H](c2cccc3ccccc32)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072140861 562729221 /nfs/dbraw/zinc/72/92/21/562729221.db2.gz NTXLFOPRZOOAPQ-LJAQVGFWSA-N 1 1 545.647 4.342 3 0 KIAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000072141157 562729308 /nfs/dbraw/zinc/72/93/08/562729308.db2.gz YPRSXMKGYJTLTQ-XFAGBWLFSA-N 1 1 533.591 4.406 3 0 KIAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1nnnn1C1CCCC1)c1cccc3ccccc31)CC2 ZINC000072141190 562729299 /nfs/dbraw/zinc/72/92/99/562729299.db2.gz WLVANEXILCIZLL-MHZLTWQESA-N 1 1 507.642 4.459 3 0 KIAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1nnnn1C1CCCC1)c1cccc3ccccc31)CC2 ZINC000072141191 562729311 /nfs/dbraw/zinc/72/93/11/562729311.db2.gz WLVANEXILCIZLL-HHHXNRCGSA-N 1 1 507.642 4.459 3 0 KIAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1nnnn1Cc1ccccc1)c1cccc3ccccc31)CC2 ZINC000072141342 562729383 /nfs/dbraw/zinc/72/93/83/562729383.db2.gz UKPDNXJADJQOLZ-GDLZYMKVSA-N 1 1 529.648 4.393 3 0 KIAFMO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1nnnn1Cc1ccccc1)c1cccc3ccccc31)CC2 ZINC000072141343 562729391 /nfs/dbraw/zinc/72/93/91/562729391.db2.gz UKPDNXJADJQOLZ-LJAQVGFWSA-N 1 1 529.648 4.393 3 0 KIAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@H+]2CCC[C@@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CC1CCCCC1 ZINC000072142355 562729520 /nfs/dbraw/zinc/72/95/20/562729520.db2.gz IXGUYOJBEJYCBE-KWRMZWAXSA-N 1 1 685.910 4.003 3 0 KIAFMO CCOC(=O)CCCCCC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccccc1)O2 ZINC000072142395 562729504 /nfs/dbraw/zinc/72/95/04/562729504.db2.gz ZBAAUTHHWKPCBE-SAGWHXFDSA-N 1 1 581.754 4.420 3 0 KIAFMO COc1cc(CNc2ncnc3c2ncn3[C@H]2C[N@@H+](Cc3cccc4ccccc43)C[C@@H](CO)O2)cc(OC)c1OC ZINC000072142869 562729663 /nfs/dbraw/zinc/72/96/63/562729663.db2.gz VGVXPHIFWPHCFE-WNCULLNHSA-N 1 1 570.650 4.009 3 0 KIAFMO COc1cc(CNc2ncnc3c2ncn3[C@H]2C[N@H+](Cc3cccc4ccccc43)C[C@@H](CO)O2)cc(OC)c1OC ZINC000072142869 562729662 /nfs/dbraw/zinc/72/96/62/562729662.db2.gz VGVXPHIFWPHCFE-WNCULLNHSA-N 1 1 570.650 4.009 3 0 KIAFMO CCOC(=O)CCCCCC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc3c(c1)OCO3)O2 ZINC000073312451 562737916 /nfs/dbraw/zinc/73/79/16/562737916.db2.gz YQISQWZRPODNAP-GQIGMWPISA-N 1 1 625.763 4.148 3 0 KIAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095548657 562759364 /nfs/dbraw/zinc/75/93/64/562759364.db2.gz GTURQIJZPFIYNP-BSUMSBOOSA-N 1 1 771.959 4.261 3 0 KIAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095564711 562764470 /nfs/dbraw/zinc/76/44/70/562764470.db2.gz BPIYHGYRVVJDMW-BQYLNSIHSA-N 1 1 737.942 4.064 3 0 KIAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000095566347 562764880 /nfs/dbraw/zinc/76/48/80/562764880.db2.gz IFSYEVLDBCFHDA-ZYADHFCISA-N 1 1 699.937 4.393 3 0 KIAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@H+]2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)C(=O)C(=O)N1CC1CCCCC1 ZINC000095566485 562765047 /nfs/dbraw/zinc/76/50/47/562765047.db2.gz IXGUYOJBEJYCBE-BBACVFHCSA-N 1 1 685.910 4.003 3 0 KIAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C(=O)C1=O ZINC000095566554 562765107 /nfs/dbraw/zinc/76/51/07/562765107.db2.gz DXHMKCJPHALTEQ-ZYADHFCISA-N 1 1 699.937 4.393 3 0 KIAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095566778 562765232 /nfs/dbraw/zinc/76/52/32/562765232.db2.gz LRGKDUOVPOIAFU-BQYLNSIHSA-N 1 1 737.942 4.064 3 0 KIAFMO Cc1cccc(C)c1-n1nnnc1[C@@H](CCc1ccccc1)[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000095566779 562765235 /nfs/dbraw/zinc/76/52/35/562765235.db2.gz BAYGPJHDEHGBJV-HHHXNRCGSA-N 1 1 521.669 4.382 3 0 KIAFMO Cc1cccc(C)c1-n1nnnc1[C@H](CCc1ccccc1)[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000095566780 562765260 /nfs/dbraw/zinc/76/52/60/562765260.db2.gz BAYGPJHDEHGBJV-MHZLTWQESA-N 1 1 521.669 4.382 3 0 KIAFMO CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095566803 562765318 /nfs/dbraw/zinc/76/53/18/562765318.db2.gz TVVSXZGYJLWYCL-ZQWQDMLBSA-N 1 1 721.943 4.359 3 0 KIAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C(=O)C1=O ZINC000095566809 562765324 /nfs/dbraw/zinc/76/53/24/562765324.db2.gz AQSYZSOGZAZFDA-BBACVFHCSA-N 1 1 685.910 4.003 3 0 KIAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)C(=O)C(=O)N1CC1CCCCCC1 ZINC000095566869 562765283 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