smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCC([N@H+]2CCN3[C@H](CN(C(=O)c4ccc(Cl)cc4)CC3(C)C)C2)CC1 ZINC000253403866 291340041 /nfs/dbraw/zinc/34/00/41/291340041.db2.gz QPFWVIJWJUOGSK-NRFANRHFSA-N 1 1 432.996 2.572 40 0 biogenic,in-vitro IFABMO CCCS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(OC)cc2)nn1C ZINC000008635377 291342267 /nfs/dbraw/zinc/34/22/67/291342267.db2.gz JXOXGXQIRCBKEI-NSHGMRRFSA-N 1 1 432.590 2.603 40 0 biogenic,in-vitro IFABMO CC(C)CS(=O)(=O)N1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242287 193941707 /nfs/dbraw/zinc/94/17/07/193941707.db2.gz HDTPPOABLGTERO-FQEVSTJZSA-N 1 1 447.645 2.657 40 0 IFABMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000022246567 521666186 /nfs/dbraw/zinc/66/61/86/521666186.db2.gz QKLWCJVEMHMVIS-JOCHJYFZSA-N 1 1 443.613 2.666 40 0 IFABMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000022246570 521668666 /nfs/dbraw/zinc/66/86/66/521668666.db2.gz QKLWCJVEMHMVIS-QFIPXVFZSA-N 1 1 443.613 2.666 40 0 IFABMO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 ZINC000012128232 526045657 /nfs/dbraw/zinc/04/56/57/526045657.db2.gz OZMUGSBUGJNFKR-SFHVURJKSA-N 1 1 449.511 2.973 40 0 IFABMO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 ZINC000012128232 526045661 /nfs/dbraw/zinc/04/56/61/526045661.db2.gz OZMUGSBUGJNFKR-SFHVURJKSA-N 1 1 449.511 2.973 40 0 IFABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2C)cc1C ZINC000408625417 555995930 /nfs/dbraw/zinc/99/59/30/555995930.db2.gz UVYRRWIKJHIWFQ-UHFFFAOYSA-N 1 1 445.585 2.865 40 0 IFABMO COc1ccc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C(=O)N1CCCC1 ZINC000013669189 556549712 /nfs/dbraw/zinc/54/97/12/556549712.db2.gz YPCQMYWAASIUQE-HDICACEKSA-N 1 1 437.606 2.578 40 0 IFABMO Cc1nc2nc3ccn(CCC[NH+]4CCOCC4)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000038828877 556620698 /nfs/dbraw/zinc/62/06/98/556620698.db2.gz KHGDQDMXMAWZOV-UHFFFAOYSA-N 1 1 438.919 2.790 40 0 IFABMO O=c1[nH]c([C@H]2CCCN2S(=O)(=O)N2CCCC2)nc2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000019014816 556692246 /nfs/dbraw/zinc/69/22/46/556692246.db2.gz KOAIUAZTHYOVGR-HXUWFJFHSA-N 1 1 449.621 2.598 40 0 IFABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CN(S(=O)(=O)Cc1cccc(F)c1)CC2 ZINC000257229029 556708897 /nfs/dbraw/zinc/70/88/97/556708897.db2.gz FWJQEIGREFVVRC-DNVJHFABSA-N 1 1 445.560 2.539 40 0 IFABMO Cc1ccc(OCCN(C)C(=O)C[N@H+]2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)cc1 ZINC000019211043 556709126 /nfs/dbraw/zinc/70/91/26/556709126.db2.gz IAWBYMJUJXOBKI-HXUWFJFHSA-N 1 1 438.572 2.605 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 ZINC000019238672 556723806 /nfs/dbraw/zinc/72/38/06/556723806.db2.gz CCHYIZACWYYFQG-MSOLQXFVSA-N 1 1 428.558 2.541 40 0 IFABMO Cn1nccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019289140 556729198 /nfs/dbraw/zinc/72/91/98/556729198.db2.gz FSDNWFYHXUHWHJ-HXUWFJFHSA-N 1 1 438.576 2.809 40 0 IFABMO Cn1ccnc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019291153 556731188 /nfs/dbraw/zinc/73/11/88/556731188.db2.gz DUJKVMGBGUMIAH-FQEVSTJZSA-N 1 1 438.576 2.809 40 0 IFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)nc2C1 ZINC000019292849 556732446 /nfs/dbraw/zinc/73/24/46/556732446.db2.gz NQDRQZVBCCGGFX-INIZCTEOSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019293718 556733151 /nfs/dbraw/zinc/73/31/51/556733151.db2.gz IUCSBGIFYVGUEQ-JOCHJYFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(Cc1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019293718 556733154 /nfs/dbraw/zinc/73/31/54/556733154.db2.gz IUCSBGIFYVGUEQ-JOCHJYFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339365 556739532 /nfs/dbraw/zinc/73/95/32/556739532.db2.gz LXNCMOBJHVFNOM-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339365 556739534 /nfs/dbraw/zinc/73/95/34/556739534.db2.gz LXNCMOBJHVFNOM-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(NC1CCC(O)CC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372461 556748799 /nfs/dbraw/zinc/74/87/99/556748799.db2.gz HNPCJMABFYQJIH-BBITVKMKSA-N 1 1 449.599 2.712 40 0 IFABMO NC(=O)C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCc2ccccc2C3=O)CC1 ZINC000019372622 556749171 /nfs/dbraw/zinc/74/91/71/556749171.db2.gz NOWGDDHCSSNEKA-WNCULLNHSA-N 1 1 445.563 2.658 40 0 IFABMO O=C(COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2Cc2ccccc2)cc1)N1CCOCC1 ZINC000019372754 556749423 /nfs/dbraw/zinc/74/94/23/556749423.db2.gz SXYKNUZXTHAKJF-LOSJGSFVSA-N 1 1 449.595 2.816 40 0 IFABMO O=C(CCn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019406121 556755090 /nfs/dbraw/zinc/75/50/90/556755090.db2.gz IAMIQPDDJDJCAE-NRFANRHFSA-N 1 1 438.576 2.801 40 0 IFABMO CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2=O)C1 ZINC000019448433 556758033 /nfs/dbraw/zinc/75/80/33/556758033.db2.gz RYEQZHLLQCVYJY-NRFANRHFSA-N 1 1 442.585 2.551 40 0 IFABMO COc1ccc(CCC(=O)N2CCC(c3nc4c(c(=O)[nH]3)CC[N@H+](C(C)C)C4)CC2)cc1 ZINC000019448474 556758098 /nfs/dbraw/zinc/75/80/98/556758098.db2.gz HRHFGDRLNRZAPA-UHFFFAOYSA-N 1 1 438.572 2.884 40 0 IFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450076 556761013 /nfs/dbraw/zinc/76/10/13/556761013.db2.gz NWAGDJBAQLHBTA-OALUTQOASA-N 1 1 437.544 2.546 40 0 IFABMO C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459026 556766511 /nfs/dbraw/zinc/76/65/11/556766511.db2.gz WYUUSSLKNWGKSU-WIYYLYMNSA-N 1 1 443.551 2.843 40 0 IFABMO C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459026 556766514 /nfs/dbraw/zinc/76/65/14/556766514.db2.gz WYUUSSLKNWGKSU-WIYYLYMNSA-N 1 1 443.551 2.843 40 0 IFABMO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019499386 556771576 /nfs/dbraw/zinc/77/15/76/556771576.db2.gz KEVVMLYFPQQZKR-IIBYNOLFSA-N 1 1 440.544 2.742 40 0 IFABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)cc1OC ZINC000019560768 556802395 /nfs/dbraw/zinc/80/23/95/556802395.db2.gz PAVYROQWYMCUTF-NWMVZANLSA-N 1 1 429.517 2.631 40 0 IFABMO Cc1sc2ncn(CC3(O)CCN(C(=O)CC[N@@H+]4CCCC[C@H]4C)CC3)c(=O)c2c1C ZINC000019561345 556802790 /nfs/dbraw/zinc/80/27/90/556802790.db2.gz BDOJSHWKRJNBFW-MRXNPFEDSA-N 1 1 446.617 2.693 40 0 IFABMO COc1cccc(C[N@H+]2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)COCCC(=O)N3)c1OC ZINC000019568103 556808142 /nfs/dbraw/zinc/80/81/42/556808142.db2.gz ONUVLICOOBHFFK-SBUREZEXSA-N 1 1 432.467 2.857 40 0 IFABMO C[NH+]1CCN(c2ncc(-c3ccncc3)c([C@@H]3CCCN(C(=O)c4ccco4)C3)n2)CC1 ZINC000019590119 556825018 /nfs/dbraw/zinc/82/50/18/556825018.db2.gz RBOCOPIILLJGHW-LJQANCHMSA-N 1 1 432.528 2.903 40 0 IFABMO COc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1[C@@H]1CCCN(Cc2cnc(OC)nc2)C1 ZINC000019590207 556825335 /nfs/dbraw/zinc/82/53/35/556825335.db2.gz PVKJKGRJHUIIHO-KNKQGSTJSA-N 1 1 439.560 2.665 40 0 IFABMO COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@@H+](Cc4ccsc4)C3)cc(=O)[nH]2)CC1 ZINC000019593108 556829518 /nfs/dbraw/zinc/82/95/18/556829518.db2.gz PETYYABMWKJZPP-IBGZPJMESA-N 1 1 444.601 2.954 40 0 IFABMO CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC000019693895 556848426 /nfs/dbraw/zinc/84/84/26/556848426.db2.gz BRQPEJGINVUMLP-SFHVURJKSA-N 1 1 441.551 2.777 40 0 IFABMO CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCN(C(=O)CC[NH+]3CCOCC3)CC2)n1 ZINC000019695341 556852165 /nfs/dbraw/zinc/85/21/65/556852165.db2.gz STEZZWGXPSEPLR-UHFFFAOYSA-N 1 1 441.551 2.777 40 0 IFABMO COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)C[N@H+]1CCCC[C@@H]1C)C2 ZINC000019701078 556860934 /nfs/dbraw/zinc/86/09/34/556860934.db2.gz BHWIDXPIKYQXEF-INIZCTEOSA-N 1 1 437.544 2.684 40 0 IFABMO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[N@H+](C)C2 ZINC000019708487 556869141 /nfs/dbraw/zinc/86/91/41/556869141.db2.gz AXMAANNAYTWRSB-IBGZPJMESA-N 1 1 433.553 2.870 40 0 IFABMO CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[N@@H+](C)C2 ZINC000019708487 556869145 /nfs/dbraw/zinc/86/91/45/556869145.db2.gz AXMAANNAYTWRSB-IBGZPJMESA-N 1 1 433.553 2.870 40 0 IFABMO CNc1cc([C@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)n1 ZINC000019709987 556871824 /nfs/dbraw/zinc/87/18/24/556871824.db2.gz GRYXHIASANSUTQ-NRFANRHFSA-N 1 1 436.604 2.823 40 0 IFABMO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCC[N@@H+](CC(=O)N(C)C)C4)nc32)c1 ZINC000019741408 556883733 /nfs/dbraw/zinc/88/37/33/556883733.db2.gz GVFPYPGSSUSKDV-NRFANRHFSA-N 1 1 449.599 2.883 40 0 IFABMO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+](CC(=O)N(C)C)C4)nc32)c1 ZINC000019741408 556883736 /nfs/dbraw/zinc/88/37/36/556883736.db2.gz GVFPYPGSSUSKDV-NRFANRHFSA-N 1 1 449.599 2.883 40 0 IFABMO Cn1c(=O)c2ccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)nc2n(Cc2ccccc2)c1=O ZINC000019743052 556887047 /nfs/dbraw/zinc/88/70/47/556887047.db2.gz BBOWHXLATPRQSY-NRFANRHFSA-N 1 1 441.535 2.918 40 0 IFABMO C[C@H]1CCC[N@@H+](CC(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3nccs3)CC2)C1 ZINC000019756464 556900300 /nfs/dbraw/zinc/90/03/00/556900300.db2.gz VIJHPQNKTSARFB-INIZCTEOSA-N 1 1 444.605 2.642 40 0 IFABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CN(C(=O)C4CCCC4)CCO3)nc3ccccc32)CC1 ZINC000019759550 556903071 /nfs/dbraw/zinc/90/30/71/556903071.db2.gz BJLNGQVQYSQSNP-QHCPKHFHSA-N 1 1 436.556 2.713 40 0 IFABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccccc4)CCO3)nc3ccccc32)CC1 ZINC000019762004 556906008 /nfs/dbraw/zinc/90/60/08/556906008.db2.gz UTXXIULCCYACHD-DEOSSOPVSA-N 1 1 444.535 2.836 40 0 IFABMO CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1OC ZINC000072392592 556963575 /nfs/dbraw/zinc/96/35/75/556963575.db2.gz LYMXBALDCMMZHD-PRCFCKQXSA-N 1 1 429.517 2.631 40 0 IFABMO COc1cccc2ccc(C[N@@H+]3C[C@@H]4CC[C@@](O)(c5cnc(OC)nc5OC)[C@@H]4C3)nc21 ZINC000072392612 556963617 /nfs/dbraw/zinc/96/36/17/556963617.db2.gz VTCKGHSLEQDNNX-LSRZYVKLSA-N 1 1 436.512 2.780 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000020043680 556972464 /nfs/dbraw/zinc/97/24/64/556972464.db2.gz LRMYSAICEMQQIP-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CCCC4)C[C@@H]23)c1 ZINC000585106048 557039529 /nfs/dbraw/zinc/03/95/29/557039529.db2.gz HPEOWIBIKTVPRP-YADHBBJMSA-N 1 1 441.572 2.547 40 0 IFABMO COc1cc(CCC(=O)N2CCc3[nH]nc(-c4cccc5c4C[N@@H+](C)C5)c3CC2)ccn1 ZINC000585110324 557043300 /nfs/dbraw/zinc/04/33/00/557043300.db2.gz GBQCDXXWIDFXGG-UHFFFAOYSA-N 1 1 431.540 2.986 40 0 IFABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1N1CCCC1=O ZINC000216462321 557146956 /nfs/dbraw/zinc/14/69/56/557146956.db2.gz AHBPBPFKUWJVEE-UHFFFAOYSA-N 1 1 440.525 2.795 40 0 IFABMO Cc1cccc(C[N@@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)c1 ZINC000096145916 557176055 /nfs/dbraw/zinc/17/60/55/557176055.db2.gz WAFCDMAVHPILJJ-VXKWHMMOSA-N 1 1 443.613 2.973 40 0 IFABMO Cc1cccc(C[N@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)c1 ZINC000096145916 557176058 /nfs/dbraw/zinc/17/60/58/557176058.db2.gz WAFCDMAVHPILJJ-VXKWHMMOSA-N 1 1 443.613 2.973 40 0 IFABMO C[N@H+]1CCCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2S(C)(=O)=O)CC1 ZINC000096146473 557176629 /nfs/dbraw/zinc/17/66/29/557176629.db2.gz UDCHZTFLMBCNHX-UHFFFAOYSA-N 1 1 428.558 2.591 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn21 ZINC000096156802 557182195 /nfs/dbraw/zinc/18/21/95/557182195.db2.gz GDIAAHQXUPXPMJ-OAQYLSRUSA-N 1 1 433.560 2.531 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn21 ZINC000096156814 557182278 /nfs/dbraw/zinc/18/22/78/557182278.db2.gz NSQAMNODLXLZFP-JOCHJYFZSA-N 1 1 447.587 2.574 40 0 IFABMO CCc1ccc(S(=O)(=O)N2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC000096239907 557185614 /nfs/dbraw/zinc/18/56/14/557185614.db2.gz CWHRONFEISDGKJ-UHFFFAOYSA-N 1 1 429.586 2.947 40 0 IFABMO CCc1ccc(S(=O)(=O)N2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC000096239907 557185616 /nfs/dbraw/zinc/18/56/16/557185616.db2.gz CWHRONFEISDGKJ-UHFFFAOYSA-N 1 1 429.586 2.947 40 0 IFABMO CCCCS(=O)(=O)N1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242284 557186251 /nfs/dbraw/zinc/18/62/51/557186251.db2.gz PQYWHPLTKXTCRD-HXUWFJFHSA-N 1 1 447.645 2.802 40 0 IFABMO COCCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2Cl)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000585263226 557204089 /nfs/dbraw/zinc/20/40/89/557204089.db2.gz PVQXSFAXRUHUCE-ZXMXYHOLSA-N 1 1 444.959 2.800 40 0 IFABMO CN(C)c1ncncc1N1CC[C@@](O)(C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000585269589 557212899 /nfs/dbraw/zinc/21/28/99/557212899.db2.gz AEIBEZOKWZTFCX-RUZDIDTESA-N 1 1 448.571 2.590 40 0 IFABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585270342 557214013 /nfs/dbraw/zinc/21/40/13/557214013.db2.gz BTIVWPVYYGJHLI-RUZDIDTESA-N 1 1 426.557 2.804 40 0 IFABMO C[NH+](C)CCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)c1 ZINC000585283037 557222310 /nfs/dbraw/zinc/22/23/10/557222310.db2.gz OVMBHSYFBNEJQG-GOTSBHOMSA-N 1 1 434.964 2.657 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCCCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284096 557223475 /nfs/dbraw/zinc/22/34/75/557223475.db2.gz UZLOEGJOFHGRKI-QFIPXVFZSA-N 1 1 426.504 2.588 40 0 IFABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000019822641 557507859 /nfs/dbraw/zinc/50/78/59/557507859.db2.gz YDRQTIAYLGNBNW-UHFFFAOYSA-N 1 1 430.618 2.891 40 0 IFABMO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2C)cc1 ZINC000224212870 557576076 /nfs/dbraw/zinc/57/60/76/557576076.db2.gz QYJUYQYPASBJAL-UHFFFAOYSA-N 1 1 445.585 2.581 40 0 IFABMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c(C)c2)CC1 ZINC000224225290 557577653 /nfs/dbraw/zinc/57/76/53/557577653.db2.gz NFYXVFQZQATCBD-UHFFFAOYSA-N 1 1 431.558 2.606 40 0 IFABMO CC[NH+]1CCN(C(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(OC)cc3)c2)CC1 ZINC000224325761 557591874 /nfs/dbraw/zinc/59/18/74/557591874.db2.gz DBXYQIXRIODWGN-UHFFFAOYSA-N 1 1 431.558 2.606 40 0 IFABMO Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+]3CCCCCC3)s2)c1 ZINC000224977631 557673735 /nfs/dbraw/zinc/67/37/35/557673735.db2.gz FHIZOUFWDJUDQM-UHFFFAOYSA-N 1 1 437.591 2.643 40 0 IFABMO CS(=O)(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000225952152 557796451 /nfs/dbraw/zinc/79/64/51/557796451.db2.gz AMYDLZYUBGUFEX-FQEVSTJZSA-N 1 1 435.977 2.665 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260800785 557857724 /nfs/dbraw/zinc/85/77/24/557857724.db2.gz XBHTWLUYXAKLOA-ZWKOTPCHSA-N 1 1 425.595 2.621 40 0 IFABMO COc1ccc(C[N@@H+](C)[C@@H]2CN(Cc3ccc(OCc4nccn4C)cc3)C[C@H]2O)cc1 ZINC000585269945 568616807 /nfs/dbraw/zinc/61/68/07/568616807.db2.gz QVYKWPFURRAIQN-DNQXCXABSA-N 1 1 436.556 2.685 40 0 IFABMO COc1ccc(CN(C)[C@@H]2C[N@H+](Cc3ccc(OCc4nccn4C)cc3)C[C@H]2O)cc1 ZINC000585269945 568616809 /nfs/dbraw/zinc/61/68/09/568616809.db2.gz QVYKWPFURRAIQN-DNQXCXABSA-N 1 1 436.556 2.685 40 0 IFABMO COc1ccc(CN(C)[C@@H]2C[N@@H+](Cc3ccc(OCc4nccn4C)cc3)C[C@H]2O)cc1 ZINC000585269945 568616810 /nfs/dbraw/zinc/61/68/10/568616810.db2.gz QVYKWPFURRAIQN-DNQXCXABSA-N 1 1 436.556 2.685 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1OCCn1cnnc1 ZINC000585271109 568617607 /nfs/dbraw/zinc/61/76/07/568617607.db2.gz JLZFZBQPKBSEOZ-DEOSSOPVSA-N 1 1 438.528 2.772 40 0 IFABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC000585271000 568617615 /nfs/dbraw/zinc/61/76/15/568617615.db2.gz CUBAYHCORYHCBZ-JOCHJYFZSA-N 1 1 444.572 2.668 40 0 IFABMO Cc1ccc(Cl)c(OCC2(O)CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000585274664 568618739 /nfs/dbraw/zinc/61/87/39/568618739.db2.gz YCGQXBWBFUHOLV-UHFFFAOYSA-N 1 1 446.931 2.899 40 0 IFABMO Cc1nc([C@@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257236652 568682192 /nfs/dbraw/zinc/68/21/92/568682192.db2.gz HDCDLTFSTJBZAV-LJQANCHMSA-N 1 1 427.593 2.912 40 0 IFABMO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257236652 568682196 /nfs/dbraw/zinc/68/21/96/568682196.db2.gz HDCDLTFSTJBZAV-LJQANCHMSA-N 1 1 427.593 2.912 40 0 IFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNC(=O)C(C)C)c2)cc1 ZINC000257261853 568694221 /nfs/dbraw/zinc/69/42/21/568694221.db2.gz LJAAFOSLRIJNFF-RPWUZVMVSA-N 1 1 437.584 2.972 40 0 IFABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000257310426 568715657 /nfs/dbraw/zinc/71/56/57/568715657.db2.gz UFAKMUILHBDRAQ-RUZDIDTESA-N 1 1 445.523 2.987 40 0 IFABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000257310426 568715658 /nfs/dbraw/zinc/71/56/58/568715658.db2.gz UFAKMUILHBDRAQ-RUZDIDTESA-N 1 1 445.523 2.987 40 0 IFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(=O)C3CC3)cc2)cc1 ZINC000257337506 568727535 /nfs/dbraw/zinc/72/75/35/568727535.db2.gz YTAVMCCXYRGBOI-RPWUZVMVSA-N 1 1 435.568 2.726 40 0 IFABMO Cc1ccc(C[NH+]2CCC3(CC2)CN(C)S(=O)(=O)c2cn(-c4ccccc4)nc23)o1 ZINC000306125927 568763982 /nfs/dbraw/zinc/76/39/82/568763982.db2.gz DFWQNQBXHMATJP-UHFFFAOYSA-N 1 1 426.542 2.942 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccccc4OC)C[C@H]2C3)cc1 ZINC000306125783 568764030 /nfs/dbraw/zinc/76/40/30/568764030.db2.gz DCDCUXJHAJFNOC-QZTJIDSGSA-N 1 1 433.512 2.852 40 0 IFABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126544 568764439 /nfs/dbraw/zinc/76/44/39/568764439.db2.gz DYTMTPNGONNGEC-ZJSXRUAMSA-N 1 1 433.560 2.611 40 0 IFABMO O=C(NC[C@H]1CC[C@@]2(COCC[N@@H+](Cc3cccc4cccnc43)C2)O1)c1cccnc1 ZINC000306128228 568764940 /nfs/dbraw/zinc/76/49/40/568764940.db2.gz GURWNRFTFJVEDT-RCZVLFRGSA-N 1 1 432.524 2.810 40 0 IFABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306128779 568765357 /nfs/dbraw/zinc/76/53/57/568765357.db2.gz HKGAYZMTQAKJJD-QPPBQGQZSA-N 1 1 433.560 2.611 40 0 IFABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306128780 568765498 /nfs/dbraw/zinc/76/54/98/568765498.db2.gz HKGAYZMTQAKJJD-URXFXBBRSA-N 1 1 433.560 2.611 40 0 IFABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306128781 568765537 /nfs/dbraw/zinc/76/55/37/568765537.db2.gz HKGAYZMTQAKJJD-XUZZJYLKSA-N 1 1 433.560 2.611 40 0 IFABMO CC(C)n1cc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 ZINC000306133771 568768197 /nfs/dbraw/zinc/76/81/97/568768197.db2.gz MVQLOZSXLGNLNT-NOZRDPDXSA-N 1 1 446.555 2.651 40 0 IFABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@@H+](Cc4cc(C)cc(C)c4)C2)C3)cc1 ZINC000306134372 568768523 /nfs/dbraw/zinc/76/85/23/568768523.db2.gz NLEALKNZVSVUSB-SANMLTNESA-N 1 1 446.551 2.527 40 0 IFABMO COc1cccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306134889 568768634 /nfs/dbraw/zinc/76/86/34/568768634.db2.gz OAMZMLMXGOEXAZ-RSXGOPAZSA-N 1 1 444.535 2.882 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@@H](C(=O)NCCc2ccccc2)O3)s1 ZINC000306134740 568768660 /nfs/dbraw/zinc/76/86/60/568768660.db2.gz NWYUNXBOIQHMIA-FQEVSTJZSA-N 1 1 441.597 2.721 40 0 IFABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@H+](Cc2ccccc2Cl)C1 ZINC000306134799 568768738 /nfs/dbraw/zinc/76/87/38/568768738.db2.gz NYJPJCDXBMHFRT-OAQYLSRUSA-N 1 1 428.945 2.716 40 0 IFABMO CC(C)N1C[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O ZINC000306135464 568768991 /nfs/dbraw/zinc/76/89/91/568768991.db2.gz ORPFQIBTGZJTPF-QFIPXVFZSA-N 1 1 430.526 2.852 40 0 IFABMO CC(C)N1C[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O ZINC000306135464 568768994 /nfs/dbraw/zinc/76/89/94/568768994.db2.gz ORPFQIBTGZJTPF-QFIPXVFZSA-N 1 1 430.526 2.852 40 0 IFABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306138891 568770851 /nfs/dbraw/zinc/77/08/51/568770851.db2.gz SKGZTOYPPFTCHU-AHWVRZQESA-N 1 1 444.535 2.882 40 0 IFABMO O=C(c1ccco1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2ccccc2)CC4)CC1 ZINC000306140264 568771396 /nfs/dbraw/zinc/77/13/96/568771396.db2.gz UOKCHRHAQDSHHS-UHFFFAOYSA-N 1 1 444.535 2.873 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cnn(C(C)C)c4)C[C@@H]2C3)cc1 ZINC000306139901 568771565 /nfs/dbraw/zinc/77/15/65/568771565.db2.gz UDPWPLOCSALNGT-ROUUACIJSA-N 1 1 435.532 2.621 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cccc(OC)c4)C[C@@H]2C3)cc1 ZINC000306141029 568771990 /nfs/dbraw/zinc/77/19/90/568771990.db2.gz VJHNNBAGNOQEGT-ZWKOTPCHSA-N 1 1 433.512 2.852 40 0 IFABMO Cc1cccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 ZINC000306142571 568772800 /nfs/dbraw/zinc/77/28/00/568772800.db2.gz XDNHAUNNAALRLY-NOZRDPDXSA-N 1 1 429.524 2.577 40 0 IFABMO CCc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)cc1 ZINC000306145113 568774178 /nfs/dbraw/zinc/77/41/78/568774178.db2.gz ZYNOJADZCLIMKC-VWLOTQADSA-N 1 1 438.572 2.723 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006953276 569218739 /nfs/dbraw/zinc/21/87/39/569218739.db2.gz OSZIGCFMCCSASV-UHFFFAOYSA-N 1 1 429.586 2.971 40 0 IFABMO CC[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000006953228 569218767 /nfs/dbraw/zinc/21/87/67/569218767.db2.gz ZDPUACFHLUSXQU-IBGZPJMESA-N 1 1 429.586 2.823 40 0 IFABMO Cc1cccc(N2CC[N@H+](C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@H]2C)c1 ZINC000019235129 569226127 /nfs/dbraw/zinc/22/61/27/569226127.db2.gz JJZWQJXLFLTGNE-NTKDMRAZSA-N 1 1 443.613 2.951 40 0 IFABMO CCOc1ccc(C[N@H+]2CC[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1CO ZINC000019694965 569229345 /nfs/dbraw/zinc/22/93/45/569229345.db2.gz SYIZSTYPHYJGSC-SFHVURJKSA-N 1 1 434.544 2.880 40 0 IFABMO COc1cccc(CN2CCC[C@@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)c1 ZINC000019699736 569230713 /nfs/dbraw/zinc/23/07/13/569230713.db2.gz FBDXXVCLTIQKEL-HXUWFJFHSA-N 1 1 428.577 2.906 40 0 IFABMO COc1cccc(CN2CCC[C@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)c1 ZINC000019699737 569230756 /nfs/dbraw/zinc/23/07/56/569230756.db2.gz FBDXXVCLTIQKEL-FQEVSTJZSA-N 1 1 428.577 2.906 40 0 IFABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)c3cc4ccccc4o3)n2)CC1 ZINC000019709120 569234787 /nfs/dbraw/zinc/23/47/87/569234787.db2.gz CNFCDEWTUFFDRU-UHFFFAOYSA-N 1 1 437.544 2.847 40 0 IFABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)Nc4ccc(F)cc4)CC3)cs2)CC1 ZINC000225472355 291343511 /nfs/dbraw/zinc/34/35/11/291343511.db2.gz RYHSWUCHUNCJGU-UHFFFAOYSA-N 1 1 433.553 2.545 40 0 biogenic,in-vitro IFABMO COc1ccc(CC(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](C3CCOCC3)C2)cc1 ZINC000004260343 291346487 /nfs/dbraw/zinc/34/64/87/291346487.db2.gz RNJZAHYXWBWNEH-RBUKOAKNSA-N 1 1 437.540 2.636 40 0 biogenic,in-vitro IFABMO CC(C)Oc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000022388253 519780398 /nfs/dbraw/zinc/78/03/98/519780398.db2.gz SCFCGLZQGPRJAM-UHFFFAOYSA-N 1 1 445.585 2.584 40 0 IFABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000012275595 520695991 /nfs/dbraw/zinc/69/59/91/520695991.db2.gz DNIKQCLYTOTKRA-GOSISDBHSA-N 1 1 425.533 2.769 40 0 IFABMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182731 521115132 /nfs/dbraw/zinc/11/51/32/521115132.db2.gz WDHLYEGPKPNJDG-NZSAHSFTSA-N 1 1 446.548 2.662 40 0 IFABMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182731 521115140 /nfs/dbraw/zinc/11/51/40/521115140.db2.gz WDHLYEGPKPNJDG-NZSAHSFTSA-N 1 1 446.548 2.662 40 0 IFABMO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000012157722 521187441 /nfs/dbraw/zinc/18/74/41/521187441.db2.gz HCTHWKUFQDUHEZ-NQIIRXRSSA-N 1 1 429.590 2.854 40 0 IFABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C(=O)NC(C)C ZINC000020460561 525068181 /nfs/dbraw/zinc/06/81/81/525068181.db2.gz XYPBNOBUFJUBMW-UHFFFAOYSA-N 1 1 442.541 2.806 40 0 IFABMO C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408589401 555940135 /nfs/dbraw/zinc/94/01/35/555940135.db2.gz FKGVDMHUXBFOTA-IBGZPJMESA-N 1 1 437.565 2.851 40 0 IFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)CC1 ZINC000408602118 555970939 /nfs/dbraw/zinc/97/09/39/555970939.db2.gz HURYBLMOFNESDW-UHFFFAOYSA-N 1 1 437.949 2.684 40 0 IFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2C)CC1 ZINC000408674607 556065726 /nfs/dbraw/zinc/06/57/26/556065726.db2.gz CEYZCOLVBBYWOA-UHFFFAOYSA-N 1 1 445.585 2.956 40 0 IFABMO O=S(=O)(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(I)cc1 ZINC000008674544 556198862 /nfs/dbraw/zinc/19/88/62/556198862.db2.gz QFXKJHCDSILXEP-MRXNPFEDSA-N 1 1 442.322 2.844 40 0 IFABMO O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(I)cc1 ZINC000008674544 556198864 /nfs/dbraw/zinc/19/88/64/556198864.db2.gz QFXKJHCDSILXEP-MRXNPFEDSA-N 1 1 442.322 2.844 40 0 IFABMO O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013540737 556513610 /nfs/dbraw/zinc/51/36/10/556513610.db2.gz CXEOPBGOOGVGNI-TZRRMPRUSA-N 1 1 446.595 2.710 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000013647024 556544281 /nfs/dbraw/zinc/54/42/81/556544281.db2.gz GGUARDSGKFHZBB-GOSISDBHSA-N 1 1 437.606 2.864 40 0 IFABMO O=C(c1ccc(CS(=O)(=O)N2CCCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044880555 556674168 /nfs/dbraw/zinc/67/41/68/556674168.db2.gz IQAVXUIQHQQTFK-UHFFFAOYSA-N 1 1 441.597 2.960 40 0 IFABMO CCc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)cc1 ZINC000044904826 556679542 /nfs/dbraw/zinc/67/95/42/556679542.db2.gz KVILQESSNDGQAK-UHFFFAOYSA-N 1 1 426.542 2.826 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000044904670 556679593 /nfs/dbraw/zinc/67/95/93/556679593.db2.gz LBOCQEZAMQFTGK-QZTJIDSGSA-N 1 1 427.636 2.920 40 0 IFABMO O=C(CC[NH+]1CCCCC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 ZINC000257201743 556700890 /nfs/dbraw/zinc/70/08/90/556700890.db2.gz AIWJHHUIAVKWMN-KYPHJKQUSA-N 1 1 443.632 2.552 40 0 IFABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCCN2CCCC2=O)cc1 ZINC000257217398 556703007 /nfs/dbraw/zinc/70/30/07/556703007.db2.gz CYTQOJHEAPGAGI-NRFANRHFSA-N 1 1 442.556 2.958 40 0 IFABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000257336561 556706339 /nfs/dbraw/zinc/70/63/39/556706339.db2.gz YOZMVZAACOEVNH-AREMUKBSSA-N 1 1 428.536 2.806 40 0 IFABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000257336561 556706340 /nfs/dbraw/zinc/70/63/40/556706340.db2.gz YOZMVZAACOEVNH-AREMUKBSSA-N 1 1 428.536 2.806 40 0 IFABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)[C@H]1CCCC(=O)N2 ZINC000257239664 556710315 /nfs/dbraw/zinc/71/03/15/556710315.db2.gz HQHKXPBQIUZMAQ-QLWBXOBMSA-N 1 1 447.539 2.539 40 0 IFABMO Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCOCC2)CC3)c1 ZINC000019234717 556719088 /nfs/dbraw/zinc/71/90/88/556719088.db2.gz BMDZAODADLKPIK-JOCHJYFZSA-N 1 1 436.556 2.522 40 0 IFABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)n1 ZINC000019236157 556720710 /nfs/dbraw/zinc/72/07/10/556720710.db2.gz WGVJQMHFKQDVPD-QGZVFWFLSA-N 1 1 447.514 2.800 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccn3)[nH]c(=O)c2C1 ZINC000019238684 556724148 /nfs/dbraw/zinc/72/41/48/556724148.db2.gz PPIXQIHGXFARTL-HXUWFJFHSA-N 1 1 449.580 2.999 40 0 IFABMO Cn1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)cn1 ZINC000019290729 556730886 /nfs/dbraw/zinc/73/08/86/556730886.db2.gz OYFFLFWDZKQASR-SFTDATJTSA-N 1 1 431.544 2.665 40 0 IFABMO COC(=O)c1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1 ZINC000019291268 556731373 /nfs/dbraw/zinc/73/13/73/556731373.db2.gz SBGQFCVIILFCJM-QFIPXVFZSA-N 1 1 438.503 2.750 40 0 IFABMO COC(=O)c1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1 ZINC000019291267 556731432 /nfs/dbraw/zinc/73/14/32/556731432.db2.gz SBGQFCVIILFCJM-JOCHJYFZSA-N 1 1 438.503 2.750 40 0 IFABMO O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019293543 556733240 /nfs/dbraw/zinc/73/32/40/556733240.db2.gz MXPATUUQZKXMNK-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019293543 556733244 /nfs/dbraw/zinc/73/32/44/556733244.db2.gz MXPATUUQZKXMNK-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO NC(=O)C1CC[NH+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)CC1 ZINC000019335590 556738233 /nfs/dbraw/zinc/73/82/33/556738233.db2.gz HRTKDPUIXSKKNA-UHFFFAOYSA-N 1 1 434.496 2.613 40 0 IFABMO O=C(c1cccnc1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019337505 556738822 /nfs/dbraw/zinc/73/88/22/556738822.db2.gz BDFNVOAMHCFDCY-QGZVFWFLSA-N 1 1 435.553 2.805 40 0 IFABMO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](CC4=CCCOC4)C3)[nH]c(=O)c2C1 ZINC000019342764 556740779 /nfs/dbraw/zinc/74/07/79/556740779.db2.gz PIJHWPCLTKYWFK-QGZVFWFLSA-N 1 1 440.569 2.556 40 0 IFABMO O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343584 556741363 /nfs/dbraw/zinc/74/13/63/556741363.db2.gz YDYQKKWIYDHVAE-LJQANCHMSA-N 1 1 436.541 2.547 40 0 IFABMO O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019343702 556741809 /nfs/dbraw/zinc/74/18/09/556741809.db2.gz PPGZMNPLHIOMCT-LJQANCHMSA-N 1 1 436.541 2.547 40 0 IFABMO O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019343702 556741811 /nfs/dbraw/zinc/74/18/11/556741811.db2.gz PPGZMNPLHIOMCT-LJQANCHMSA-N 1 1 436.541 2.547 40 0 IFABMO O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349305 556744426 /nfs/dbraw/zinc/74/44/26/556744426.db2.gz YAFLMMLRJIBBCA-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1cccnc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349305 556744430 /nfs/dbraw/zinc/74/44/30/556744430.db2.gz YAFLMMLRJIBBCA-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1 ZINC000019370665 556748015 /nfs/dbraw/zinc/74/80/15/556748015.db2.gz XICHFURBLIPHHO-NRFANRHFSA-N 1 1 443.551 2.672 40 0 IFABMO O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1 ZINC000019370665 556748017 /nfs/dbraw/zinc/74/80/17/556748017.db2.gz XICHFURBLIPHHO-NRFANRHFSA-N 1 1 443.551 2.672 40 0 IFABMO O=C([C@@H]1CC12CCC2)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405325 556754816 /nfs/dbraw/zinc/75/48/16/556754816.db2.gz JALPJLODKMASBQ-PZJWPPBQSA-N 1 1 433.556 2.967 40 0 IFABMO O=C([C@@H]1CC12CCC2)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405325 556754818 /nfs/dbraw/zinc/75/48/18/556754818.db2.gz JALPJLODKMASBQ-PZJWPPBQSA-N 1 1 433.556 2.967 40 0 IFABMO CC(C)[N@H+]1CCc2c(nc([C@H]3CCCN3S(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2=O)C1 ZINC000019448435 556757971 /nfs/dbraw/zinc/75/79/71/556757971.db2.gz RYEQZHLLQCVYJY-OAQYLSRUSA-N 1 1 442.585 2.551 40 0 IFABMO CC(C)[N@H+]1CCc2c(=O)[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)nc2C1 ZINC000019448419 556757996 /nfs/dbraw/zinc/75/79/96/556757996.db2.gz XMHAIBGUFZOSGF-GOSISDBHSA-N 1 1 438.500 2.753 40 0 IFABMO CC(C)[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)c(F)c3)nc2C1 ZINC000019448417 556758091 /nfs/dbraw/zinc/75/80/91/556758091.db2.gz XMHAIBGUFZOSGF-SFHVURJKSA-N 1 1 438.500 2.753 40 0 IFABMO C[C@@H]1C[N@H+](CCC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C[C@H](C)O1 ZINC000019497503 556770051 /nfs/dbraw/zinc/77/00/51/556770051.db2.gz DFWJGMBUQFVYQB-CALCHBBNSA-N 1 1 440.573 2.684 40 0 IFABMO CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019499390 556771434 /nfs/dbraw/zinc/77/14/34/556771434.db2.gz LGBABQGTFJLYRI-DNVCBOLYSA-N 1 1 428.508 2.873 40 0 IFABMO COc1cc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@]3(C2)COCCC(=O)N3)cc(OC)c1OC ZINC000019549916 556795148 /nfs/dbraw/zinc/79/51/48/556795148.db2.gz FWRAKFMAAMFXCX-CYFREDJKSA-N 1 1 444.503 2.726 40 0 IFABMO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)COCCC(=O)N3)cc1OC ZINC000019561216 556802578 /nfs/dbraw/zinc/80/25/78/556802578.db2.gz PCFHORVAPGRIOD-SBUREZEXSA-N 1 1 432.467 2.857 40 0 IFABMO Cc1sc2ncn(CC3(O)CCN(C(=O)CC[N@@H+]4CCCC[C@@H]4C)CC3)c(=O)c2c1C ZINC000019561347 556802817 /nfs/dbraw/zinc/80/28/17/556802817.db2.gz BDOJSHWKRJNBFW-INIZCTEOSA-N 1 1 446.617 2.693 40 0 IFABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)c4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019570612 556810626 /nfs/dbraw/zinc/81/06/26/556810626.db2.gz DEAZATYXWCXEQQ-IBGZPJMESA-N 1 1 445.523 2.774 40 0 IFABMO CN(C)c1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019587765 556824101 /nfs/dbraw/zinc/82/41/01/556824101.db2.gz ULLRGPLSFQEWMZ-DENIHFKCSA-N 1 1 440.567 2.853 40 0 IFABMO CN(C)c1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019587765 556824103 /nfs/dbraw/zinc/82/41/03/556824103.db2.gz ULLRGPLSFQEWMZ-DENIHFKCSA-N 1 1 440.567 2.853 40 0 IFABMO COc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1[C@H]1CCCN(Cc2cnc(OC)nc2)C1 ZINC000019590208 556825376 /nfs/dbraw/zinc/82/53/76/556825376.db2.gz PVKJKGRJHUIIHO-JQVVWYNYSA-N 1 1 439.560 2.665 40 0 IFABMO COc1ncc(-c2nc(NCCC[NH+]3CCOCC3)ncc2-c2ccsc2)c(OC)n1 ZINC000019594868 556830327 /nfs/dbraw/zinc/83/03/27/556830327.db2.gz YPWOHMZTGHXMGN-UHFFFAOYSA-N 1 1 442.545 2.814 40 0 IFABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccccc2-n2cccn2)C3)c(OC)n1 ZINC000019594755 556830427 /nfs/dbraw/zinc/83/04/27/556830427.db2.gz OVHOSNHUEIHXQL-QRQCMCJISA-N 1 1 435.528 2.799 40 0 IFABMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(c2ccc(-c3cnc(N)nc3)cn2)CC1 ZINC000019689098 556843733 /nfs/dbraw/zinc/84/37/33/556843733.db2.gz ZVSIYGFQQAVJSC-HSZRJFAPSA-N 1 1 428.540 2.884 40 0 IFABMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(c2ccc(-c3cnc(N)nc3)cn2)CC1 ZINC000019689098 556843739 /nfs/dbraw/zinc/84/37/39/556843739.db2.gz ZVSIYGFQQAVJSC-HSZRJFAPSA-N 1 1 428.540 2.884 40 0 IFABMO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[N@H+](C)C2 ZINC000019708488 556869357 /nfs/dbraw/zinc/86/93/57/556869357.db2.gz AXMAANNAYTWRSB-LJQANCHMSA-N 1 1 433.553 2.870 40 0 IFABMO CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CC[N@@H+](C)C2 ZINC000019708488 556869359 /nfs/dbraw/zinc/86/93/59/556869359.db2.gz AXMAANNAYTWRSB-LJQANCHMSA-N 1 1 433.553 2.870 40 0 IFABMO CNc1nc([C@H]2CCCCN2C(=O)CCN2Cc3ccccc3C2=O)nc2c1CC[N@H+](C)C2 ZINC000019708642 556869492 /nfs/dbraw/zinc/86/94/92/556869492.db2.gz IHTBIFDERCHPET-OAQYLSRUSA-N 1 1 448.571 2.606 40 0 IFABMO CNc1nc([C@H]2CCCCN2C(=O)CCN2Cc3ccccc3C2=O)nc2c1CC[N@@H+](C)C2 ZINC000019708642 556869495 /nfs/dbraw/zinc/86/94/95/556869495.db2.gz IHTBIFDERCHPET-OAQYLSRUSA-N 1 1 448.571 2.606 40 0 IFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)C1(c3ccccc3)CCOCC1)C2 ZINC000019708784 556870085 /nfs/dbraw/zinc/87/00/85/556870085.db2.gz JKNJINJWAWHBEA-LJQANCHMSA-N 1 1 449.599 2.961 40 0 IFABMO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708873 556870621 /nfs/dbraw/zinc/87/06/21/556870621.db2.gz VAOSCFGNAIOIBG-HNNXBMFYSA-N 1 1 433.553 2.522 40 0 IFABMO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708873 556870626 /nfs/dbraw/zinc/87/06/26/556870626.db2.gz VAOSCFGNAIOIBG-HNNXBMFYSA-N 1 1 433.553 2.522 40 0 IFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(NCCOc3ccc(F)cc3)c2C1 ZINC000019711295 556875602 /nfs/dbraw/zinc/87/56/02/556875602.db2.gz MIRYUCQJDMEWRS-KRWDZBQOSA-N 1 1 427.524 2.820 40 0 IFABMO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@@H+](CC(=O)N(C)C)C4)nc32)c1 ZINC000019741406 556883761 /nfs/dbraw/zinc/88/37/61/556883761.db2.gz GVFPYPGSSUSKDV-OAQYLSRUSA-N 1 1 449.599 2.883 40 0 IFABMO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+](CC(=O)N(C)C)C4)nc32)c1 ZINC000019741406 556883762 /nfs/dbraw/zinc/88/37/62/556883762.db2.gz GVFPYPGSSUSKDV-OAQYLSRUSA-N 1 1 449.599 2.883 40 0 IFABMO Cn1c(=O)c2ccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)nc2n(Cc2ccccc2)c1=O ZINC000019743046 556887068 /nfs/dbraw/zinc/88/70/68/556887068.db2.gz KKWJXEKVPQYNMS-NRFANRHFSA-N 1 1 441.535 2.918 40 0 IFABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H](c3ccc4c(N)nc(C)nc4n3)C2)c1 ZINC000019743608 556888506 /nfs/dbraw/zinc/88/85/06/556888506.db2.gz BMJZQYNLFSBZNV-GOSISDBHSA-N 1 1 434.544 2.762 40 0 IFABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@@H](c3ccc4c(N)nc(C)nc4n3)C2)c1 ZINC000019743608 556888508 /nfs/dbraw/zinc/88/85/08/556888508.db2.gz BMJZQYNLFSBZNV-GOSISDBHSA-N 1 1 434.544 2.762 40 0 IFABMO Cc1nc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019744520 556890780 /nfs/dbraw/zinc/89/07/80/556890780.db2.gz VORMEUIWFVFDCE-NRFANRHFSA-N 1 1 447.583 2.719 40 0 IFABMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019744520 556890785 /nfs/dbraw/zinc/89/07/85/556890785.db2.gz VORMEUIWFVFDCE-NRFANRHFSA-N 1 1 447.583 2.719 40 0 IFABMO Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(C(=O)N4CC[NH+](C)CC4)c4ccccc4n3)C2)o1 ZINC000019761254 556904467 /nfs/dbraw/zinc/90/44/67/556904467.db2.gz MSICIHCVWBFUOX-SFHVURJKSA-N 1 1 447.539 2.857 40 0 IFABMO CN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2C(F)(F)F)C[C@@]12COc1ccccc1C(=O)N2 ZINC000072334328 556906868 /nfs/dbraw/zinc/90/68/68/556906868.db2.gz RCTWNRHDBLJLAZ-XMSQKQJNSA-N 1 1 447.457 2.787 40 0 IFABMO CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@]12COc1ccccc1C(=O)N2 ZINC000072334328 556906870 /nfs/dbraw/zinc/90/68/70/556906870.db2.gz RCTWNRHDBLJLAZ-XMSQKQJNSA-N 1 1 447.457 2.787 40 0 IFABMO COc1cc(C)c(C[N@H+]2C[C@H](C(=O)N(C)C)[C@@]3(C2)CCc2ccccc2C(=O)N3)cc1C ZINC000072334361 556906930 /nfs/dbraw/zinc/90/69/30/556906930.db2.gz JAGBRLFANVIKDB-GJZUVCINSA-N 1 1 435.568 2.947 40 0 IFABMO COc1ccc2c(c1)C(=O)N[C@@]1(C[N@@H+](Cc3ccccc3)C[C@H]1C(=O)NCC1CC1)CC2 ZINC000072334435 556907125 /nfs/dbraw/zinc/90/71/25/556907125.db2.gz YFKJBFPQWOMPJK-JYFHCDHNSA-N 1 1 433.552 2.768 40 0 IFABMO COC(=O)[C@@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340241 556912256 /nfs/dbraw/zinc/91/22/56/556912256.db2.gz FXGCNPNVFBQWKA-HQYOWAIWSA-N 1 1 442.556 2.809 40 0 IFABMO COC(=O)[C@@]1(CC(=O)N2CCC(C)CC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340230 556912314 /nfs/dbraw/zinc/91/23/14/556912314.db2.gz VMBYJNSRPKZUTG-JXALWOEJSA-N 1 1 430.520 2.940 40 0 IFABMO COC(=O)[C@@]1(CC(=O)N2CCC(C)CC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340230 556912316 /nfs/dbraw/zinc/91/23/16/556912316.db2.gz VMBYJNSRPKZUTG-JXALWOEJSA-N 1 1 430.520 2.940 40 0 IFABMO CCN(CC)C(=O)N1CC[NH+](Cc2c3cccnc3[nH]c2[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000072395281 556966678 /nfs/dbraw/zinc/96/66/78/556966678.db2.gz WOHBOMOASPMJJL-IBGZPJMESA-N 1 1 440.592 2.868 40 0 IFABMO CCn1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(C4CCN(C(=O)C(C)C)CC4)n3)C2)cn1 ZINC000072399214 556971774 /nfs/dbraw/zinc/97/17/74/556971774.db2.gz FNVQZONCURVEAO-FQEVSTJZSA-N 1 1 440.592 2.728 40 0 IFABMO COCCC(=O)N1CCC(c2nc([C@H]3CCC[N@@H+](Cc4cccs4)C3)cc(=O)[nH]2)CC1 ZINC000072399219 556971864 /nfs/dbraw/zinc/97/18/64/556971864.db2.gz ICAKSSRTVNGUBO-SFHVURJKSA-N 1 1 444.601 2.954 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000020111169 556985744 /nfs/dbraw/zinc/98/57/44/556985744.db2.gz JJCBMMCQDMELBL-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO CN(Cc1ncccn1)C(=O)[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101823 557035127 /nfs/dbraw/zinc/03/51/27/557035127.db2.gz DJNABQXQXXMUHH-JOCHJYFZSA-N 1 1 446.555 2.550 40 0 IFABMO Cc1ccc(CNC(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000585106262 557039720 /nfs/dbraw/zinc/03/97/20/557039720.db2.gz IPVXGKVISZOKHK-PKTZIBPZSA-N 1 1 432.568 2.917 40 0 IFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)CC1 ZINC000409376532 557087540 /nfs/dbraw/zinc/08/75/40/557087540.db2.gz YVYTVZAMAWXCQZ-UHFFFAOYSA-N 1 1 431.558 2.647 40 0 IFABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000014944986 557126974 /nfs/dbraw/zinc/12/69/74/557126974.db2.gz UMWHVBTZIYRUQL-VDNWNZSNSA-N 1 1 425.847 2.910 40 0 IFABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000014944986 557126976 /nfs/dbraw/zinc/12/69/76/557126976.db2.gz UMWHVBTZIYRUQL-VDNWNZSNSA-N 1 1 425.847 2.910 40 0 IFABMO CN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000096143574 557170448 /nfs/dbraw/zinc/17/04/48/557170448.db2.gz XVNRQVIFNPTDMX-LEWJYISDSA-N 1 1 438.959 2.930 40 0 IFABMO COc1ccc(C(=O)N2CCC3(CC[C@@]4(C(=O)N5CCCC5)C[N@@H+](C)C[C@@H]34)CC2)cc1 ZINC000096143853 557171204 /nfs/dbraw/zinc/17/12/04/557171204.db2.gz MDLKMGUMAVFTKB-SQJMNOBHSA-N 1 1 425.573 2.882 40 0 IFABMO CC(C)C[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)[C@@H]2C1 ZINC000096262222 557189682 /nfs/dbraw/zinc/18/96/82/557189682.db2.gz HYFHYDLFWUSSAG-RBUKOAKNSA-N 1 1 440.009 2.539 40 0 IFABMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096262305 557189708 /nfs/dbraw/zinc/18/97/08/557189708.db2.gz RSAUQOBNBMCHDA-XZOQPEGZSA-N 1 1 448.567 2.675 40 0 IFABMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000585261790 557196579 /nfs/dbraw/zinc/19/65/79/557196579.db2.gz NABHJXSMMLVFAB-NRFANRHFSA-N 1 1 441.959 2.587 40 0 IFABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000585261790 557196582 /nfs/dbraw/zinc/19/65/82/557196582.db2.gz NABHJXSMMLVFAB-NRFANRHFSA-N 1 1 441.959 2.587 40 0 IFABMO COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c1 ZINC000585269698 557213696 /nfs/dbraw/zinc/21/36/96/557213696.db2.gz HZIQAKAWJKLKPE-HXUWFJFHSA-N 1 1 428.529 2.568 40 0 IFABMO C[C@]1(O)C[N@@H+](Cc2ccc(OCCN3CCNC3=O)cc2)CC[C@@H]1Oc1cccc(F)c1 ZINC000585272138 557216734 /nfs/dbraw/zinc/21/67/34/557216734.db2.gz GMMXGMVSHOFCSH-UPVQGACJSA-N 1 1 443.519 2.634 40 0 IFABMO Cc1ccc(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)C2)cc1 ZINC000585282479 557221614 /nfs/dbraw/zinc/22/16/14/557221614.db2.gz DTBMGNPCTUBIKV-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 ZINC000585282818 557222119 /nfs/dbraw/zinc/22/21/19/557222119.db2.gz BACJOHYGTYPQFU-JOCHJYFZSA-N 1 1 448.951 2.602 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585283035 557222372 /nfs/dbraw/zinc/22/23/72/557222372.db2.gz OUZKJUNZULNIOM-QHCPKHFHSA-N 1 1 440.531 2.834 40 0 IFABMO Cc1ccccc1N1CCC(O)(C[N@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287598 557227601 /nfs/dbraw/zinc/22/76/01/557227601.db2.gz PKNJSJAEQBISCO-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO Fc1ccccc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022929043 557277277 /nfs/dbraw/zinc/27/72/77/557277277.db2.gz GYHPIIOOROCYOB-OFNKIYASSA-N 1 1 436.535 2.898 40 0 IFABMO CCc1ccc(N([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000220270901 557289473 /nfs/dbraw/zinc/28/94/73/557289473.db2.gz TWZRHHHWJBWDPI-LJQANCHMSA-N 1 1 429.586 2.748 40 0 IFABMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033671640 557344627 /nfs/dbraw/zinc/34/46/27/557344627.db2.gz ZPKGMTPGTKOPNI-GBPOLFSSSA-N 1 1 437.883 2.780 40 0 IFABMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000033671640 557344630 /nfs/dbraw/zinc/34/46/30/557344630.db2.gz ZPKGMTPGTKOPNI-GBPOLFSSSA-N 1 1 437.883 2.780 40 0 IFABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000033880737 557374883 /nfs/dbraw/zinc/37/48/83/557374883.db2.gz UMWHVBTZIYRUQL-BZDHPDOMSA-N 1 1 425.847 2.910 40 0 IFABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000033880737 557374885 /nfs/dbraw/zinc/37/48/85/557374885.db2.gz UMWHVBTZIYRUQL-BZDHPDOMSA-N 1 1 425.847 2.910 40 0 IFABMO CCc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014155679 557427519 /nfs/dbraw/zinc/42/75/19/557427519.db2.gz BCSAGRMICXLUCP-UHFFFAOYSA-N 1 1 429.586 2.917 40 0 IFABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000026110741 557443673 /nfs/dbraw/zinc/44/36/73/557443673.db2.gz BIVBOZYUHGRIAT-HNNXBMFYSA-N 1 1 448.416 2.699 40 0 IFABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1C ZINC000019234210 557497991 /nfs/dbraw/zinc/49/79/91/557497991.db2.gz GASZUDVPMNHVMV-JOCHJYFZSA-N 1 1 435.576 2.973 40 0 IFABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000019527808 557501731 /nfs/dbraw/zinc/50/17/31/557501731.db2.gz VOMLVXLOULKBBU-UHFFFAOYSA-N 1 1 434.389 2.558 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000224003544 557542359 /nfs/dbraw/zinc/54/23/59/557542359.db2.gz XBHTWLUYXAKLOA-QZTJIDSGSA-N 1 1 425.595 2.621 40 0 IFABMO O=S(=O)(Cc1cccc(Br)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224585597 557627342 /nfs/dbraw/zinc/62/73/42/557627342.db2.gz JZYVTOZOAZHPFC-UHFFFAOYSA-N 1 1 439.375 2.901 40 0 IFABMO COc1cc2c(cc1S(=O)(=O)NCc1ccc(C[NH+]3CCOCC3)cc1)CCCC2 ZINC000224588434 557627884 /nfs/dbraw/zinc/62/78/84/557627884.db2.gz LYJRCOOXKJGYJD-UHFFFAOYSA-N 1 1 430.570 2.885 40 0 IFABMO O=S(=O)(Cc1ccc(Br)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224730550 557644851 /nfs/dbraw/zinc/64/48/51/557644851.db2.gz GESWFBZEIJFXPM-UHFFFAOYSA-N 1 1 439.375 2.901 40 0 IFABMO CSc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1NC(C)=O ZINC000224755327 557647925 /nfs/dbraw/zinc/64/79/25/557647925.db2.gz YNWYJUMITCPLGT-UHFFFAOYSA-N 1 1 449.598 2.678 40 0 IFABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccc(C)cc3)c2)CC1 ZINC000224784600 557651210 /nfs/dbraw/zinc/65/12/10/557651210.db2.gz VERAJGFAZMWCER-UHFFFAOYSA-N 1 1 445.585 2.602 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000224861609 557659544 /nfs/dbraw/zinc/65/95/44/557659544.db2.gz NVQKTBJZFLDVQR-GOSISDBHSA-N 1 1 430.014 2.872 40 0 IFABMO Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCCC2)s1 ZINC000224901935 557664838 /nfs/dbraw/zinc/66/48/38/557664838.db2.gz SNSOUGJXMXUJNB-UHFFFAOYSA-N 1 1 437.591 2.643 40 0 IFABMO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000225044623 557682346 /nfs/dbraw/zinc/68/23/46/557682346.db2.gz PGMHTUPYNLUNMV-INIZCTEOSA-N 1 1 437.591 2.723 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000225044623 557682347 /nfs/dbraw/zinc/68/23/47/557682347.db2.gz PGMHTUPYNLUNMV-INIZCTEOSA-N 1 1 437.591 2.723 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225271906 557707489 /nfs/dbraw/zinc/70/74/89/557707489.db2.gz RCGQGRSRRBWGLL-INIZCTEOSA-N 1 1 442.541 2.660 40 0 IFABMO c1ccc2c(c1)nc1n2[C@H]([C@H]2CC=CCC2)NC2=NCN(CCC[NH+]3CCOCC3)CN12 ZINC000059619751 557824302 /nfs/dbraw/zinc/82/43/02/557824302.db2.gz KWRZLJDGRAGQCY-SIKLNZKXSA-N 1 1 435.576 2.610 40 0 IFABMO COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)C=C[C@@]4(Br)[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000253504260 560038392 /nfs/dbraw/zinc/03/83/92/560038392.db2.gz DOUIIQXGCWGWBD-RYFZRTLDSA-N 1 1 434.330 2.980 40 0 biogenic,in-vitro IFABMO COc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1OCCn1cnnc1 ZINC000585271111 568617544 /nfs/dbraw/zinc/61/75/44/568617544.db2.gz JLZFZBQPKBSEOZ-XMMPIXPASA-N 1 1 438.528 2.772 40 0 IFABMO Cc1cc(C)cc(OC[C@@]2(O)CN(Cc3ccc(OCC[NH+](C)C)cc3)CC[C@@H]2O)c1 ZINC000585287626 568618844 /nfs/dbraw/zinc/61/88/44/568618844.db2.gz PREYIOIFADIZPH-DQEYMECFSA-N 1 1 428.573 2.621 40 0 IFABMO Cc1ccccc1N1CCC(O)(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585285921 568618949 /nfs/dbraw/zinc/61/89/49/568618949.db2.gz FFGVLQNQJHQNGL-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCOC[C@@](O)(COc4ccc(F)cc4)C3)CC2)cc1 ZINC000585287904 568619420 /nfs/dbraw/zinc/61/94/20/568619420.db2.gz USZSJEITCZIKIP-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)c1cn[nH]c1 ZINC000257224341 568676314 /nfs/dbraw/zinc/67/63/14/568676314.db2.gz FBKKLGRPPFPKGJ-YJMBLLCNSA-N 1 1 440.931 2.874 40 0 IFABMO Cc1ncccc1O[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2OCC(N)=O)CC[C@@H]1O ZINC000257253906 568690404 /nfs/dbraw/zinc/69/04/04/568690404.db2.gz KATIODPKHFHYIC-UNMCSNQZSA-N 1 1 441.572 2.956 40 0 IFABMO COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1(O)CCN(C(C)=O)CC1 ZINC000257267048 568696250 /nfs/dbraw/zinc/69/62/50/568696250.db2.gz MFSWPDJOMSWYSJ-HXUWFJFHSA-N 1 1 447.576 2.662 40 0 IFABMO COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1(O)CCN(C(C)=O)CC1 ZINC000257267048 568696251 /nfs/dbraw/zinc/69/62/51/568696251.db2.gz MFSWPDJOMSWYSJ-HXUWFJFHSA-N 1 1 447.576 2.662 40 0 IFABMO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257281689 568702695 /nfs/dbraw/zinc/70/26/95/568702695.db2.gz OQNCWPQEXFDATN-DEOSSOPVSA-N 1 1 442.563 2.564 40 0 IFABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257281689 568702698 /nfs/dbraw/zinc/70/26/98/568702698.db2.gz OQNCWPQEXFDATN-DEOSSOPVSA-N 1 1 442.563 2.564 40 0 IFABMO COc1cccc2ccc(C[N@H+]3CCC[C@@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)nc21 ZINC000257287047 568705333 /nfs/dbraw/zinc/70/53/33/568705333.db2.gz POHAAVYGDQXOGW-GOSISDBHSA-N 1 1 435.528 2.819 40 0 IFABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2C[C@@H]3[C@@H](Cc4cc(C)ncn4)CC[C@@H]3C2)c1 ZINC000257288988 568706243 /nfs/dbraw/zinc/70/62/43/568706243.db2.gz PWNLCNXMIYMYFL-DBXWQHBBSA-N 1 1 437.544 2.891 40 0 IFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccc(CNC(=O)C3CC3)cc2)cc1 ZINC000257337507 568727650 /nfs/dbraw/zinc/72/76/50/568727650.db2.gz YTAVMCCXYRGBOI-ZEQRLZLVSA-N 1 1 435.568 2.726 40 0 IFABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000257344340 568730514 /nfs/dbraw/zinc/73/05/14/568730514.db2.gz ZWTUVVRDOZGKCF-DEOSSOPVSA-N 1 1 431.496 2.727 40 0 IFABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000257344340 568730516 /nfs/dbraw/zinc/73/05/16/568730516.db2.gz ZWTUVVRDOZGKCF-DEOSSOPVSA-N 1 1 431.496 2.727 40 0 IFABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4ccncc4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306124211 568763266 /nfs/dbraw/zinc/76/32/66/568763266.db2.gz BJKXEURDONELMM-RSXGOPAZSA-N 1 1 444.535 2.882 40 0 IFABMO CCNC(=O)NC[C@@H]1CC[C@@]2(COCC[N@H+](Cc3cc(C)ccc3Br)C2)O1 ZINC000306124254 568763275 /nfs/dbraw/zinc/76/32/75/568763275.db2.gz BKSDBFAZXMCGRK-FXAWDEMLSA-N 1 1 440.382 2.827 40 0 IFABMO CCNC(=O)NC[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3cc(C)ccc3Br)C2)O1 ZINC000306124254 568763276 /nfs/dbraw/zinc/76/32/76/568763276.db2.gz BKSDBFAZXMCGRK-FXAWDEMLSA-N 1 1 440.382 2.827 40 0 IFABMO CC(C)n1cnc([C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126542 568764216 /nfs/dbraw/zinc/76/42/16/568764216.db2.gz DYTMTPNGONNGEC-URXFXBBRSA-N 1 1 433.560 2.611 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCc3ccccn3)cn21 ZINC000306127606 568764671 /nfs/dbraw/zinc/76/46/71/568764671.db2.gz GDIAAHQXUPXPMJ-NRFANRHFSA-N 1 1 433.560 2.531 40 0 IFABMO c1c([C@@H]2C[N@@H+](Cc3ccccn3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306128088 568764957 /nfs/dbraw/zinc/76/49/57/568764957.db2.gz GPUGOCUXLDLCFV-QHCPKHFHSA-N 1 1 432.572 2.835 40 0 IFABMO c1c([C@@H]2C[N@H+](Cc3ccccn3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306128088 568764958 /nfs/dbraw/zinc/76/49/58/568764958.db2.gz GPUGOCUXLDLCFV-QHCPKHFHSA-N 1 1 432.572 2.835 40 0 IFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306131160 568766303 /nfs/dbraw/zinc/76/63/03/568766303.db2.gz JXXSZYZOVRJIED-HOTGVXAUSA-N 1 1 435.459 2.703 40 0 IFABMO COc1ncccc1C[N@H+]1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccccc1)C2=O ZINC000306130715 568766320 /nfs/dbraw/zinc/76/63/20/568766320.db2.gz JNPHDWDPXPAZBL-JYFHCDHNSA-N 1 1 444.535 2.882 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@@]2(COCC[N@@H+](C[C@H]3C[C@@H]4C=C[C@H]3C4)C2)O1 ZINC000306132777 568767342 /nfs/dbraw/zinc/76/73/42/568767342.db2.gz LRZSQPLQYKHHPD-KEJFTWOCSA-N 1 1 446.613 2.568 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccccc3F)C2)O1 ZINC000306132946 568767371 /nfs/dbraw/zinc/76/73/71/568767371.db2.gz LXHSGFLWAYNZQF-JTHBVZDNSA-N 1 1 448.560 2.695 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CC[C@@]2(COCC[N@H+](Cc3ccccc3F)C2)O1 ZINC000306132946 568767373 /nfs/dbraw/zinc/76/73/73/568767373.db2.gz LXHSGFLWAYNZQF-JTHBVZDNSA-N 1 1 448.560 2.695 40 0 IFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccccc3OC)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134215 568768235 /nfs/dbraw/zinc/76/82/35/568768235.db2.gz NFUIVPCLJXCOLW-YKSBVNFPSA-N 1 1 426.561 2.937 40 0 IFABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4cccnc4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306137801 568770053 /nfs/dbraw/zinc/77/00/53/568770053.db2.gz RGQIHTFQPWTALQ-RSXGOPAZSA-N 1 1 444.535 2.882 40 0 IFABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000306140372 568771673 /nfs/dbraw/zinc/77/16/73/568771673.db2.gz URJYPAPSZPUWLX-NRFANRHFSA-N 1 1 428.945 2.716 40 0 IFABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)s1 ZINC000306142522 568772618 /nfs/dbraw/zinc/77/26/18/568772618.db2.gz XBROGZWMQVUKDS-QFIPXVFZSA-N 1 1 430.574 2.530 40 0 IFABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1)C1CC1 ZINC000019341900 569226400 /nfs/dbraw/zinc/22/64/00/569226400.db2.gz LVIWRESYCXWKIC-TZIWHRDSSA-N 1 1 441.601 2.854 40 0 IFABMO Cc1nn2c(nccc2[C@H]2CN(C(=O)COc3ccccc3)CCO2)c1Cn1cc[nH+]c1C ZINC000019707594 569234459 /nfs/dbraw/zinc/23/44/59/569234459.db2.gz WKFBNQAUAOAVNM-JOCHJYFZSA-N 1 1 446.511 2.570 40 0 IFABMO CN(C)c1cc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019709804 569234794 /nfs/dbraw/zinc/23/47/94/569234794.db2.gz CIZCFZZCZRBPTO-JOCHJYFZSA-N 1 1 436.604 2.805 40 0 IFABMO Cc1nc([C@H]2CC[N@H+](Cc3ccc(OC(C)C)c(Cn4cccn4)c3)C2)ncc1C(N)=O ZINC000019758123 569237334 /nfs/dbraw/zinc/23/73/34/569237334.db2.gz HYZFZZRQBKKKNJ-IBGZPJMESA-N 1 1 434.544 2.905 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(C)n2c(cc3c2cccc3OC)c1=O ZINC000009971715 569298796 /nfs/dbraw/zinc/29/87/96/569298796.db2.gz VWMSYWPBHYSSHD-SFHVURJKSA-N 1 1 439.560 2.737 40 0 IFABMO COc1ccccc1CNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008298242 291347609 /nfs/dbraw/zinc/34/76/09/291347609.db2.gz FATZKUQQYDHMNU-ZNLUXHQJSA-N 1 1 447.539 2.686 40 0 biogenic,in-vitro IFABMO COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)C=C[C@@]4(Br)[C@H](C2)[N@@H+](C)CC[C@@]314 ZINC000096316408 291347135 /nfs/dbraw/zinc/34/71/35/291347135.db2.gz DOUIIQXGCWGWBD-BQDHWQRKSA-N 1 1 434.330 2.980 40 0 biogenic,in-vitro IFABMO O[C@@H]1[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000096533294 291351864 /nfs/dbraw/zinc/35/18/64/291351864.db2.gz OXMTTXYWPJXZMT-UUFXTFJOSA-N 1 1 426.532 2.723 40 0 biogenic,in-vitro IFABMO CCCOc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000022388277 520383815 /nfs/dbraw/zinc/38/38/15/520383815.db2.gz JJXKVIIAIPFALV-UHFFFAOYSA-N 1 1 445.585 2.586 40 0 IFABMO CCS(=O)(=O)N1c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2C[C@@H]1C ZINC000020449191 521668364 /nfs/dbraw/zinc/66/83/64/521668364.db2.gz RQHNNXXWERRGHE-SFHVURJKSA-N 1 1 427.570 2.745 40 0 IFABMO CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCc2nc(N)c(C(=O)NCc3ccccc3)cc2C1 ZINC000072345688 522585589 /nfs/dbraw/zinc/58/55/89/522585589.db2.gz MPDVKPATHALUME-KRWDZBQOSA-N 1 1 446.555 2.574 40 0 IFABMO Cc1cnc(C(=O)N2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000036734287 525968811 /nfs/dbraw/zinc/96/88/11/525968811.db2.gz FNYHEDBPVFEEBU-UWJYYQICSA-N 1 1 425.508 2.735 40 0 IFABMO Cc1cnc(C(=O)N2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000036734289 525969903 /nfs/dbraw/zinc/96/99/03/525969903.db2.gz FNYHEDBPVFEEBU-UTKZUKDTSA-N 1 1 425.508 2.735 40 0 IFABMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1N1CCCCS1(=O)=O ZINC000021756425 526112824 /nfs/dbraw/zinc/11/28/24/526112824.db2.gz ZFARLHBMWSFZNZ-UHFFFAOYSA-N 1 1 427.570 2.883 40 0 IFABMO O=C(C[NH+]1CCC(n2c(=O)oc3ccccc32)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012143877 526731183 /nfs/dbraw/zinc/73/11/83/526731183.db2.gz ZNYSSDAECJVDTB-UHFFFAOYSA-N 1 1 438.503 2.719 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000022509768 527385584 /nfs/dbraw/zinc/38/55/84/527385584.db2.gz LZBPBGRWQACLFQ-SFHVURJKSA-N 1 1 444.582 2.959 40 0 IFABMO N=C(N)Nc1cccc(C(=O)Oc2ccc(OC(=O)c3ccc(NC(N)=[NH2+])cc3)cc2)c1 ZINC000001730021 555711189 /nfs/dbraw/zinc/71/11/89/555711189.db2.gz BGQPHWXZJKZDBP-UHFFFAOYSA-N 1 1 432.440 2.736 40 0 IFABMO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134191 555746997 /nfs/dbraw/zinc/74/69/97/555746997.db2.gz PSWBNFCDLVFUFQ-OAGGEKHMSA-N 1 1 434.496 2.563 40 0 IFABMO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134191 555747000 /nfs/dbraw/zinc/74/70/00/555747000.db2.gz PSWBNFCDLVFUFQ-OAGGEKHMSA-N 1 1 434.496 2.563 40 0 IFABMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134066 555747006 /nfs/dbraw/zinc/74/70/06/555747006.db2.gz DKARJKOEVWXOJB-ZACQAIPSSA-N 1 1 448.523 2.871 40 0 IFABMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134066 555747008 /nfs/dbraw/zinc/74/70/08/555747008.db2.gz DKARJKOEVWXOJB-ZACQAIPSSA-N 1 1 448.523 2.871 40 0 IFABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219497 556403043 /nfs/dbraw/zinc/40/30/43/556403043.db2.gz WDGDYQNUFIUMRY-SFHVURJKSA-N 1 1 437.544 2.964 40 0 IFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000029837978 556483825 /nfs/dbraw/zinc/48/38/25/556483825.db2.gz RHLQPMOLSOQJKQ-UHFFFAOYSA-N 1 1 441.597 2.652 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030852926 556509306 /nfs/dbraw/zinc/50/93/06/556509306.db2.gz WDVIQAIKUVFVQZ-OAHLLOKOSA-N 1 1 430.505 2.791 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000030864026 556511640 /nfs/dbraw/zinc/51/16/40/556511640.db2.gz UUEPOHSPIPEEER-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000030863345 556511696 /nfs/dbraw/zinc/51/16/96/556511696.db2.gz VFMLMCFMCRNZTH-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000030947258 556517520 /nfs/dbraw/zinc/51/75/20/556517520.db2.gz NKFWBUHPIWAVML-HXUWFJFHSA-N 1 1 445.560 2.571 40 0 IFABMO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030947430 556517692 /nfs/dbraw/zinc/51/76/92/556517692.db2.gz KEPBNTRFOSXBTO-IBGZPJMESA-N 1 1 445.560 2.877 40 0 IFABMO CCCCCC(=O)N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514289630 556623987 /nfs/dbraw/zinc/62/39/87/556623987.db2.gz XGOSVVBEUXEVHR-IRFCIJBXSA-N 1 1 443.510 2.652 40 0 biogenic,in-vitro IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000044904672 556679583 /nfs/dbraw/zinc/67/95/83/556679583.db2.gz LBOCQEZAMQFTGK-MSOLQXFVSA-N 1 1 427.636 2.920 40 0 IFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000044910532 556680734 /nfs/dbraw/zinc/68/07/34/556680734.db2.gz VHVAPSGQNNSMFK-UHFFFAOYSA-N 1 1 438.553 2.695 40 0 IFABMO O=c1[nH]c([C@@H]2CCCN2S(=O)(=O)N2CCCC2)nc2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000019014814 556692195 /nfs/dbraw/zinc/69/21/95/556692195.db2.gz KOAIUAZTHYOVGR-FQEVSTJZSA-N 1 1 449.621 2.598 40 0 IFABMO Cc1cc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)C[N@@H+](Cc3cccs3)CC4)C2)on1 ZINC000019119841 556700880 /nfs/dbraw/zinc/70/08/80/556700880.db2.gz RWXYKFGDTGNGAH-HNNXBMFYSA-N 1 1 439.541 2.706 40 0 IFABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCc3cccc4c3OCO4)CC2)c(C)c1 ZINC000257213603 556702654 /nfs/dbraw/zinc/70/26/54/556702654.db2.gz CIHFANBYZUBLGJ-RUZDIDTESA-N 1 1 440.540 2.944 40 0 IFABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)NCc3cccc4c3OCO4)CC2)c(C)c1 ZINC000257213604 556702679 /nfs/dbraw/zinc/70/26/79/556702679.db2.gz CIHFANBYZUBLGJ-VWLOTQADSA-N 1 1 440.540 2.944 40 0 IFABMO Cc1ccc(OCCN(C)C(=O)C[N@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)cc1 ZINC000019211046 556709173 /nfs/dbraw/zinc/70/91/73/556709173.db2.gz IAWBYMJUJXOBKI-FQEVSTJZSA-N 1 1 438.572 2.605 40 0 IFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 ZINC000019292925 556732489 /nfs/dbraw/zinc/73/24/89/556732489.db2.gz RIZIFIBRPMCKBR-INIZCTEOSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019343699 556741743 /nfs/dbraw/zinc/74/17/43/556741743.db2.gz PPGZMNPLHIOMCT-IBGZPJMESA-N 1 1 436.541 2.547 40 0 IFABMO O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019343699 556741745 /nfs/dbraw/zinc/74/17/45/556741745.db2.gz PPGZMNPLHIOMCT-IBGZPJMESA-N 1 1 436.541 2.547 40 0 IFABMO O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349301 556744276 /nfs/dbraw/zinc/74/42/76/556744276.db2.gz QAEBGLCSMOJLRU-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349301 556744281 /nfs/dbraw/zinc/74/42/81/556744281.db2.gz QAEBGLCSMOJLRU-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349298 556744501 /nfs/dbraw/zinc/74/45/01/556744501.db2.gz QAEBGLCSMOJLRU-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349298 556744506 /nfs/dbraw/zinc/74/45/06/556744506.db2.gz QAEBGLCSMOJLRU-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019400128 556752925 /nfs/dbraw/zinc/75/29/25/556752925.db2.gz UJYGDEHGLOCTPQ-OAQYLSRUSA-N 1 1 430.512 2.898 40 0 IFABMO O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019400128 556752929 /nfs/dbraw/zinc/75/29/29/556752929.db2.gz UJYGDEHGLOCTPQ-OAQYLSRUSA-N 1 1 430.512 2.898 40 0 IFABMO COCc1ccc(C[N@H+]2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)o1 ZINC000019449994 556760747 /nfs/dbraw/zinc/76/07/47/556760747.db2.gz HBRBNHKAIMVPMT-NHCUHLMSSA-N 1 1 441.576 2.947 40 0 IFABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019533243 556793241 /nfs/dbraw/zinc/79/32/41/556793241.db2.gz ALUFQGJXYNNFJB-LJQANCHMSA-N 1 1 436.556 2.843 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O ZINC000019689293 556843886 /nfs/dbraw/zinc/84/38/86/556843886.db2.gz CIPUYNWMOHDCJV-IBGZPJMESA-N 1 1 435.528 2.734 40 0 IFABMO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1ccncc1)C2 ZINC000019695746 556852377 /nfs/dbraw/zinc/85/23/77/556852377.db2.gz WAZAXLFUAQBQLY-NRFANRHFSA-N 1 1 432.503 2.894 40 0 IFABMO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1ccncc1)C2 ZINC000019695746 556852380 /nfs/dbraw/zinc/85/23/80/556852380.db2.gz WAZAXLFUAQBQLY-NRFANRHFSA-N 1 1 432.503 2.894 40 0 IFABMO CC(=O)N1C[C@H](C(N)=O)[C@@H](c2ccc(C[N@@H+](C)Cc3c(C)nc4c(C)cccn34)cc2)C1 ZINC000019698766 556857807 /nfs/dbraw/zinc/85/78/07/556857807.db2.gz VSEQJYKLXFJDHD-YADHBBJMSA-N 1 1 433.556 2.630 40 0 IFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(C)c(C)c1)C2 ZINC000019708634 556869613 /nfs/dbraw/zinc/86/96/13/556869613.db2.gz ZTFZVOJJGUCHIB-KRWDZBQOSA-N 1 1 429.590 2.691 40 0 IFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)CCCc1ccccc1)CC2 ZINC000019710314 556872536 /nfs/dbraw/zinc/87/25/36/556872536.db2.gz XDGQCUVCOUGBBT-IBGZPJMESA-N 1 1 443.617 2.648 40 0 IFABMO CNc1nc([C@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710617 556874014 /nfs/dbraw/zinc/87/40/14/556874014.db2.gz LHBAHEDYBQGKBK-IBGZPJMESA-N 1 1 436.560 2.761 40 0 IFABMO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c(C[NH+](C)C)cnc3cc(C)nn32)cc1 ZINC000019743514 556888143 /nfs/dbraw/zinc/88/81/43/556888143.db2.gz IUFISKUDECHTNW-LJQANCHMSA-N 1 1 429.546 2.634 40 0 IFABMO COc1ccc2c(c1)C(=O)N[C@]1(C[N@H+](Cc3cccc(F)c3F)C[C@@H]1C(=O)N(C)C)CC2 ZINC000072334376 556906987 /nfs/dbraw/zinc/90/69/87/556906987.db2.gz APWHMUTYQZTZKD-DVECYGJZSA-N 1 1 443.494 2.608 40 0 IFABMO COc1ccc2c(c1)C(=O)N[C@]1(C[N@@H+](Cc3cccc(F)c3F)C[C@@H]1C(=O)N(C)C)CC2 ZINC000072334376 556906988 /nfs/dbraw/zinc/90/69/88/556906988.db2.gz APWHMUTYQZTZKD-DVECYGJZSA-N 1 1 443.494 2.608 40 0 IFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335570 556908543 /nfs/dbraw/zinc/90/85/43/556908543.db2.gz QNUMIIOHSBFBEM-YESZJQIVSA-N 1 1 440.544 2.761 40 0 IFABMO COC(=O)[C@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340239 556912171 /nfs/dbraw/zinc/91/21/71/556912171.db2.gz FXGCNPNVFBQWKA-UGAHGUMRSA-N 1 1 442.556 2.809 40 0 IFABMO COc1ccc(C[N@H+]2CCc3nc(N4CCCCCC4)[nH]c(=O)c3C2)cc1Cn1cccn1 ZINC000072347485 556918492 /nfs/dbraw/zinc/91/84/92/556918492.db2.gz JMOLOAODNSRYHK-UHFFFAOYSA-N 1 1 448.571 2.962 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(Nc3cnccn3)cn2)ccc1OCC(N)=O ZINC000072353187 556925914 /nfs/dbraw/zinc/92/59/14/556925914.db2.gz NQDWIWCACCAOIK-IBGZPJMESA-N 1 1 434.500 2.825 40 0 IFABMO C[N@@H+]1CCN(C(=O)c2cccn(CC(=O)Nc3ccc(F)cc3)c2=O)[C@H](c2ccccc2)C1 ZINC000072392194 556963243 /nfs/dbraw/zinc/96/32/43/556963243.db2.gz IAJDMOVUFGBKSM-QFIPXVFZSA-N 1 1 448.498 2.755 40 0 IFABMO C[N@H+]1CCN(C(=O)c2cccn(CC(=O)Nc3ccc(F)cc3)c2=O)[C@H](c2ccccc2)C1 ZINC000072392194 556963245 /nfs/dbraw/zinc/96/32/45/556963245.db2.gz IAJDMOVUFGBKSM-QFIPXVFZSA-N 1 1 448.498 2.755 40 0 IFABMO COc1ccc2nc(C[N@H+]3C[C@@H]4CC[C@@](O)(c5cnc(OC)nc5OC)[C@@H]4C3)ccc2c1 ZINC000072392611 556963698 /nfs/dbraw/zinc/96/36/98/556963698.db2.gz NXDBVUBHCHGBIA-LZBHBKQYSA-N 1 1 436.512 2.780 40 0 IFABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c(OC)c1 ZINC000072394964 556966381 /nfs/dbraw/zinc/96/63/81/556966381.db2.gz HPVVXWPGASGUDG-QRQCMCJISA-N 1 1 425.529 2.696 40 0 IFABMO CCCSc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000072394968 556966438 /nfs/dbraw/zinc/96/64/38/556966438.db2.gz FASPYWQOXMLHPS-LIMIJEPZSA-N 1 1 441.601 2.971 40 0 IFABMO CN(Cc1ncccn1)C(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585101826 557035148 /nfs/dbraw/zinc/03/51/48/557035148.db2.gz DJNABQXQXXMUHH-QFIPXVFZSA-N 1 1 446.555 2.550 40 0 IFABMO CC(C)(C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 ZINC000585102011 557035561 /nfs/dbraw/zinc/03/55/61/557035561.db2.gz WZTSJKUHBGAOEC-OAQYLSRUSA-N 1 1 444.620 2.699 40 0 IFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccccc1)CC2 ZINC000585104919 557037787 /nfs/dbraw/zinc/03/77/87/557037787.db2.gz XFWYNMIKMWUFLC-QFIPXVFZSA-N 1 1 429.586 2.915 40 0 IFABMO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109770 557041806 /nfs/dbraw/zinc/04/18/06/557041806.db2.gz RUAFTAWRJPLNFQ-WPFOTENUSA-N 1 1 428.504 2.754 40 0 IFABMO O=C(Cc1ccccn1)NC[C@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@@H+]12 ZINC000585110218 557043475 /nfs/dbraw/zinc/04/34/75/557043475.db2.gz YGHMNTKMCVAUNJ-DHIUTWEWSA-N 1 1 441.535 2.829 40 0 IFABMO CC[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096145318 557174737 /nfs/dbraw/zinc/17/47/37/557174737.db2.gz QUPWHTPLYHZYOV-IFMALSPDSA-N 1 1 428.558 2.585 40 0 IFABMO Cc1ccc(C[N@@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)cc1 ZINC000096145917 557176077 /nfs/dbraw/zinc/17/60/77/557176077.db2.gz AXVYRRAEIGHYHL-VXKWHMMOSA-N 1 1 443.613 2.973 40 0 IFABMO Cc1ccc(C[N@H+]2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)cc1 ZINC000096145917 557176078 /nfs/dbraw/zinc/17/60/78/557176078.db2.gz AXVYRRAEIGHYHL-VXKWHMMOSA-N 1 1 443.613 2.973 40 0 IFABMO Cc1nc(Cn2cc(-c3nc(C(=O)N4CC[NH+](C)CC4)c4ccccn43)nc2C)cs1 ZINC000096155119 557179475 /nfs/dbraw/zinc/17/94/75/557179475.db2.gz XMTNLQTWXXLTCS-UHFFFAOYSA-N 1 1 435.557 2.707 40 0 IFABMO O=C(NCc1ccncc1)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096155944 557180419 /nfs/dbraw/zinc/18/04/19/557180419.db2.gz VJBSEDWTCWZJKB-UHFFFAOYSA-N 1 1 426.524 2.982 40 0 IFABMO CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn21 ZINC000096156626 557181534 /nfs/dbraw/zinc/18/15/34/557181534.db2.gz UGJZAUQPRMNKDQ-JOCHJYFZSA-N 1 1 441.539 2.543 40 0 IFABMO Cc1cnc(C(=O)N2Cc3ccccc3C3(CCN(c4cc[nH+]c(N(C)C)n4)CC3)C2)cn1 ZINC000096242643 557186668 /nfs/dbraw/zinc/18/66/68/557186668.db2.gz IVKUIWRDKSSDMN-UHFFFAOYSA-N 1 1 443.555 2.835 40 0 IFABMO CCCCNC(=O)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@@]23CCN(CC)C3=O)CC1 ZINC000096262814 557190399 /nfs/dbraw/zinc/19/03/99/557190399.db2.gz ZLBORVHKYRTCOF-XMMPIXPASA-N 1 1 427.593 2.728 40 0 IFABMO COCCOc1cc(CN2CC[C@@](O)(C[N@@H+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269610 557212176 /nfs/dbraw/zinc/21/21/76/557212176.db2.gz BIUOCRXSBPGZPW-RUZDIDTESA-N 1 1 444.572 2.798 40 0 IFABMO CCOCCOc1ccc(C[N@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271412 557214555 /nfs/dbraw/zinc/21/45/55/557214555.db2.gz YLABCWYXUCEJPZ-AREMUKBSSA-N 1 1 439.600 2.861 40 0 IFABMO CCOCCOc1ccc(CN2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271412 557214557 /nfs/dbraw/zinc/21/45/57/557214557.db2.gz YLABCWYXUCEJPZ-AREMUKBSSA-N 1 1 439.600 2.861 40 0 IFABMO CCOCCOc1ccc(C[N@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271414 557214615 /nfs/dbraw/zinc/21/46/15/557214615.db2.gz YLABCWYXUCEJPZ-SANMLTNESA-N 1 1 439.600 2.861 40 0 IFABMO CCOCCOc1ccc(CN2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585271414 557214618 /nfs/dbraw/zinc/21/46/18/557214618.db2.gz YLABCWYXUCEJPZ-SANMLTNESA-N 1 1 439.600 2.861 40 0 IFABMO O[C@]1(COc2ccc(F)cc2)COCC[N@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585273133 557215516 /nfs/dbraw/zinc/21/55/16/557215516.db2.gz ATJSBVFMJMFPGZ-DEOSSOPVSA-N 1 1 441.503 2.744 40 0 IFABMO O[C@]1(COc2ccc(F)cc2)COCC[N@@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585273133 557215518 /nfs/dbraw/zinc/21/55/18/557215518.db2.gz ATJSBVFMJMFPGZ-DEOSSOPVSA-N 1 1 441.503 2.744 40 0 IFABMO Cc1cccc(OC[C@@]2(O)CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC[C@@H]2O)c1 ZINC000585282043 557221171 /nfs/dbraw/zinc/22/11/71/557221171.db2.gz WSHYEQCTLVVOMV-UIOOFZCWSA-N 1 1 440.584 2.846 40 0 IFABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000585282105 557221393 /nfs/dbraw/zinc/22/13/93/557221393.db2.gz XSWFFIPUPGJZGR-RUZDIDTESA-N 1 1 426.557 2.804 40 0 IFABMO Cc1ccc(OC[C@@]2(O)C[N@@H+](CC3(O)CCN(c4cccc(C)c4)CC3)CC[C@@H]2O)cc1 ZINC000585282691 557222077 /nfs/dbraw/zinc/22/20/77/557222077.db2.gz MXBRLTABDDOYPM-AHWVRZQESA-N 1 1 440.584 2.511 40 0 IFABMO Cc1cccc(OC[C@@]2(O)CN(Cc3cccc(OCC[NH+]4CCCC4)c3)CC[C@@H]2O)c1 ZINC000585284137 557222098 /nfs/dbraw/zinc/22/20/98/557222098.db2.gz VDYMFSUQMHLYLO-UIOOFZCWSA-N 1 1 440.584 2.846 40 0 IFABMO COCCN1C(=O)CCC[C@@H]2[C@H]1CCC[N@H+]2CC1(O)CCN(c2cccc(C)c2)CC1 ZINC000585283923 557223167 /nfs/dbraw/zinc/22/31/67/557223167.db2.gz PSHFFIKECJMXNP-DHIUTWEWSA-N 1 1 429.605 2.818 40 0 IFABMO Cc1ccccc1OC[C@]1(O)COCC[N@@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C1 ZINC000585287309 557223771 /nfs/dbraw/zinc/22/37/71/557223771.db2.gz MKHVNIOJHHZRLM-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCOC[C@](O)(COc4ccccc4C)C3)CC2)cc1 ZINC000585285093 557224884 /nfs/dbraw/zinc/22/48/84/557224884.db2.gz CHOWAHPBBNCAGU-SANMLTNESA-N 1 1 440.584 2.777 40 0 IFABMO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000219421558 557243906 /nfs/dbraw/zinc/24/39/06/557243906.db2.gz VJIVCSDARGWJFW-UHFFFAOYSA-N 1 1 438.366 2.962 40 0 IFABMO CC[NH+]1CCN([C@@H](c2nnnn2CCc2ccccc2)c2cccc(OC)c2OC)CC1 ZINC000022929959 557274301 /nfs/dbraw/zinc/27/43/01/557274301.db2.gz UFZLTAXLNOFZHM-JOCHJYFZSA-N 1 1 436.560 2.660 40 0 IFABMO COc1ccc(C)cc1N([C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000220334552 557291830 /nfs/dbraw/zinc/29/18/30/557291830.db2.gz NVXMPDYSQICZSE-IBGZPJMESA-N 1 1 445.585 2.503 40 0 IFABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000026109780 557439614 /nfs/dbraw/zinc/43/96/14/557439614.db2.gz RBBFNKKZAJZBQB-HNNXBMFYSA-N 1 1 448.416 2.699 40 0 IFABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[N@H+]4CCC[C@@H]4C3)c(=O)[nH]c2c1 ZINC000019221938 557497958 /nfs/dbraw/zinc/49/79/58/557497958.db2.gz RDVJMIQJPVMQAV-DENIHFKCSA-N 1 1 433.560 2.808 40 0 IFABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019940936 557510519 /nfs/dbraw/zinc/51/05/19/557510519.db2.gz LEHOKUQVEQJZAN-QFIPXVFZSA-N 1 1 435.576 2.973 40 0 IFABMO CCC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000020142064 557516041 /nfs/dbraw/zinc/51/60/41/557516041.db2.gz YIDPPNHCSHWKCF-NRFANRHFSA-N 1 1 446.621 2.814 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000225128692 557690578 /nfs/dbraw/zinc/69/05/78/557690578.db2.gz HWNVROYVPSLBNN-UHFFFAOYSA-N 1 1 426.542 2.567 40 0 IFABMO CN(CC(=O)NCCC[N@H+]1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000225237682 557703798 /nfs/dbraw/zinc/70/37/98/557703798.db2.gz QHJRDIUZZZOIQG-UHFFFAOYSA-N 1 1 435.977 2.525 40 0 IFABMO COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)C=C[C@]4(Br)[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000253504246 560038388 /nfs/dbraw/zinc/03/83/88/560038388.db2.gz DOUIIQXGCWGWBD-GQFKRECVSA-N 1 1 434.330 2.980 40 0 biogenic,in-vitro IFABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCN3CCCC3=O)cc2)cc1 ZINC000585270010 568616850 /nfs/dbraw/zinc/61/68/50/568616850.db2.gz AYKRXJKPMYLSNO-HXUWFJFHSA-N 1 1 428.529 2.568 40 0 IFABMO Cc1cc(C)c(C)c(OC[C@@]2(O)CN(Cc3ccc(OCC[NH+](C)C)cc3)CC[C@@H]2O)c1 ZINC000585287660 568618900 /nfs/dbraw/zinc/61/89/00/568618900.db2.gz QIACUQKLNHWXNI-UIOOFZCWSA-N 1 1 442.600 2.929 40 0 IFABMO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccccc4C)CC3)C2)c1 ZINC000585287794 568619340 /nfs/dbraw/zinc/61/93/40/568619340.db2.gz RZXLXZNTHJWBFP-SANMLTNESA-N 1 1 440.584 2.777 40 0 IFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(=O)C(C)C)cc2)cc1 ZINC000257202161 568666157 /nfs/dbraw/zinc/66/61/57/568666157.db2.gz AKSVWSCHJCFCPY-RPWUZVMVSA-N 1 1 437.584 2.972 40 0 IFABMO Cc1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@@H+](C)Cc2ccccc2)no1 ZINC000257212701 568671137 /nfs/dbraw/zinc/67/11/37/568671137.db2.gz CEPIAIYVIIGQOW-LGKPFJOYSA-N 1 1 439.487 2.933 40 0 IFABMO O=C1NCCNC(=O)[C@@]2(CCC[N@@H+](Cc3nccs3)C2)C/C=C/COc2ccccc21 ZINC000257218151 568673471 /nfs/dbraw/zinc/67/34/71/568673471.db2.gz DCAUMMKYRLIVAN-OSFWOZTASA-N 1 1 440.569 2.610 40 0 IFABMO CNc1nc([C@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1CC[N@H+](C)C2 ZINC000257228021 568677842 /nfs/dbraw/zinc/67/78/42/568677842.db2.gz FRZGEDGQVZAIAZ-IBGZPJMESA-N 1 1 449.599 2.879 40 0 IFABMO CNc1nc([C@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257228021 568677844 /nfs/dbraw/zinc/67/78/44/568677844.db2.gz FRZGEDGQVZAIAZ-IBGZPJMESA-N 1 1 449.599 2.879 40 0 IFABMO c1cn2cc(C[C@@H]3COCCN(Cc4ccccc4OCC[NH+]4CCCC4)C3)ncc2n1 ZINC000257235108 568681687 /nfs/dbraw/zinc/68/16/87/568681687.db2.gz GWLWGMZXELGDNM-NRFANRHFSA-N 1 1 435.572 2.895 40 0 IFABMO CC(C)c1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257246912 568686903 /nfs/dbraw/zinc/68/69/03/568686903.db2.gz IWLYVRWCSBXYAE-MQSCRBSSSA-N 1 1 428.577 2.622 40 0 IFABMO Cc1[nH+]ccn1CCCC(=O)N1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257259076 568692750 /nfs/dbraw/zinc/69/27/50/568692750.db2.gz KWTFSVFKAXJNNS-JOCHJYFZSA-N 1 1 433.512 2.733 40 0 IFABMO Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@H]3Cc2ccccc2)c(=O)n1 ZINC000257266473 568695775 /nfs/dbraw/zinc/69/57/75/568695775.db2.gz MDEFRSYAHLKIFB-FMLGWJCWSA-N 1 1 434.584 2.945 40 0 IFABMO Cc1cc(C)n(CC(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)c(=O)n1 ZINC000257266474 568695958 /nfs/dbraw/zinc/69/59/58/568695958.db2.gz MDEFRSYAHLKIFB-KDHQNNTKSA-N 1 1 434.584 2.945 40 0 IFABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2cncnc2)c1 ZINC000257293203 568708176 /nfs/dbraw/zinc/70/81/76/568708176.db2.gz QONWGDKIUVOIPK-SFHLNBCPSA-N 1 1 437.544 2.973 40 0 IFABMO CC(=O)N[C@H]1CC[C@](CNC(=O)CCn2cc[nH+]c2C(C)C)(c2ccccc2)CC[C@@H]1O ZINC000257315809 568718119 /nfs/dbraw/zinc/71/81/19/568718119.db2.gz VCVOVIWLFAMISL-HWBMXIPRSA-N 1 1 440.588 2.890 40 0 IFABMO Cc1nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4ccc(=O)n(C)n4)CCO3)c2)sc1C ZINC000257317510 568718845 /nfs/dbraw/zinc/71/88/45/568718845.db2.gz VJZYUASDGHPQER-SFHVURJKSA-N 1 1 440.529 2.514 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000257334855 568726610 /nfs/dbraw/zinc/72/66/10/568726610.db2.gz YHQRBQFPCVPFDB-NGSHPTGOSA-N 1 1 447.510 2.958 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000257334855 568726613 /nfs/dbraw/zinc/72/66/13/568726613.db2.gz YHQRBQFPCVPFDB-NGSHPTGOSA-N 1 1 447.510 2.958 40 0 IFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccc(CNC(=O)C3CC3)cc2)cc1 ZINC000257337504 568727692 /nfs/dbraw/zinc/72/76/92/568727692.db2.gz YTAVMCCXYRGBOI-BJKOFHAPSA-N 1 1 435.568 2.726 40 0 IFABMO NCC1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218238727 568740914 /nfs/dbraw/zinc/74/09/14/568740914.db2.gz DTWOKSAOLIYTED-HOTGVXAUSA-N 1 1 429.767 2.946 40 0 IFABMO CCc1ccc(C[N@H+]2CC[C@]3(C2)CN(CCOC)S(=O)(=O)c2ccccc2O3)cc1 ZINC000306123453 568762742 /nfs/dbraw/zinc/76/27/42/568762742.db2.gz ANMWMROJZISIIL-QHCPKHFHSA-N 1 1 430.570 2.923 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@@]2(COCC[N@@H+](Cc3ccccc3F)C2)O1 ZINC000306132943 568767439 /nfs/dbraw/zinc/76/74/39/568767439.db2.gz LXHSGFLWAYNZQF-FYYLOGMGSA-N 1 1 448.560 2.695 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3ccccc3F)C2)O1 ZINC000306132943 568767441 /nfs/dbraw/zinc/76/74/41/568767441.db2.gz LXHSGFLWAYNZQF-FYYLOGMGSA-N 1 1 448.560 2.695 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 ZINC000306133101 568767591 /nfs/dbraw/zinc/76/75/91/568767591.db2.gz MBYOJTOIWNKMCZ-DLBZAZTESA-N 1 1 447.495 2.572 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1 ZINC000306133103 568767667 /nfs/dbraw/zinc/76/76/67/568767667.db2.gz MBYOJTOIWNKMCZ-IRXDYDNUSA-N 1 1 447.495 2.572 40 0 IFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccccc3OC)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134214 568768275 /nfs/dbraw/zinc/76/82/75/568768275.db2.gz NFUIVPCLJXCOLW-RDPSFJRHSA-N 1 1 426.561 2.937 40 0 IFABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@H+](Cc2ccccc2Cl)C1 ZINC000306134798 568768664 /nfs/dbraw/zinc/76/86/64/568768664.db2.gz NYJPJCDXBMHFRT-NRFANRHFSA-N 1 1 428.945 2.716 40 0 IFABMO Cc1ccc(C[N@H+]2CCc3nc4n(c(=O)c3C2)CC[C@]42CCN(C(=O)NC(C)C)C2)s1 ZINC000306135041 568768725 /nfs/dbraw/zinc/76/87/25/568768725.db2.gz OFTZMOCTBFRYSX-QHCPKHFHSA-N 1 1 441.601 2.637 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@H](C(=O)NCc2ccc(F)cc2)O3)s1 ZINC000306137739 568770040 /nfs/dbraw/zinc/77/00/40/568770040.db2.gz REPGDNCTMYCEJP-LJQANCHMSA-N 1 1 445.560 2.817 40 0 IFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)s1 ZINC000306138752 568770834 /nfs/dbraw/zinc/77/08/34/568770834.db2.gz SGIIZUPYOWHMGU-JOCHJYFZSA-N 1 1 428.606 2.801 40 0 IFABMO O=S1(=O)c2ccccc2O[C@@]2(CC[N@H+](Cc3ccco3)C2)CN1Cc1ccccn1 ZINC000306140971 568772017 /nfs/dbraw/zinc/77/20/17/568772017.db2.gz VHWFOTFROTXUBC-JOCHJYFZSA-N 1 1 425.510 2.903 40 0 IFABMO O=S1(=O)c2ccccc2O[C@@]2(CC[N@@H+](Cc3ccco3)C2)CN1Cc1ccccn1 ZINC000306140971 568772018 /nfs/dbraw/zinc/77/20/18/568772018.db2.gz VHWFOTFROTXUBC-JOCHJYFZSA-N 1 1 425.510 2.903 40 0 IFABMO COc1ccc(CN2CC[C@H](NS(C)(=O)=O)[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143115 568773199 /nfs/dbraw/zinc/77/31/99/568773199.db2.gz XTOYAZDHDAFPOQ-FCHUYYIVSA-N 1 1 449.642 2.773 40 0 IFABMO COc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)[C@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143115 568773200 /nfs/dbraw/zinc/77/32/00/568773200.db2.gz XTOYAZDHDAFPOQ-FCHUYYIVSA-N 1 1 449.642 2.773 40 0 IFABMO COc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)[C@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143115 568773201 /nfs/dbraw/zinc/77/32/01/568773201.db2.gz XTOYAZDHDAFPOQ-FCHUYYIVSA-N 1 1 449.642 2.773 40 0 IFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306144414 568773679 /nfs/dbraw/zinc/77/36/79/568773679.db2.gz ZEPCGEWVVUXWIX-CYFREDJKSA-N 1 1 440.544 2.657 40 0 IFABMO O=S1(=O)CC[C@@H]([N@H+](CCCN2CCOCC2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420712 568863549 /nfs/dbraw/zinc/86/35/49/568863549.db2.gz JJSCOILBODBNHZ-HSZRJFAPSA-N 1 1 428.598 2.987 40 0 IFABMO O=S1(=O)CC[C@@H]([N@@H+](CCCN2CCOCC2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420712 568863552 /nfs/dbraw/zinc/86/35/52/568863552.db2.gz JJSCOILBODBNHZ-HSZRJFAPSA-N 1 1 428.598 2.987 40 0 IFABMO c1ccc2c(c1)nc1n2[C@@H]([C@@H]2CC=CCC2)NC2=NCN(CCC[NH+]3CCOCC3)CN12 ZINC000226313225 569182904 /nfs/dbraw/zinc/18/29/04/569182904.db2.gz KWRZLJDGRAGQCY-KNQAVFIVSA-N 1 1 435.576 2.610 40 0 IFABMO O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005429 569241519 /nfs/dbraw/zinc/24/15/19/569241519.db2.gz GTGKNHKBYGEVRG-FQEVSTJZSA-N 1 1 445.560 2.571 40 0 IFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000009519485 569544319 /nfs/dbraw/zinc/54/43/19/569544319.db2.gz OMNPSGBVRINLBZ-LJQANCHMSA-N 1 1 438.572 2.827 40 0 IFABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5cccs5)c43)C2)CC1 ZINC000008300422 291340013 /nfs/dbraw/zinc/34/00/13/291340013.db2.gz PLCCAKCUHYLMER-DLBZAZTESA-N 1 1 440.569 2.592 40 0 biogenic,in-vitro IFABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)C5CCCCC5)c43)C2)CC1 ZINC000008300416 291340026 /nfs/dbraw/zinc/34/00/26/291340026.db2.gz RVMGCHBRIKTQMZ-AZUAARDMSA-N 1 1 440.588 2.797 40 0 biogenic,in-vitro IFABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)Cc3ccccc3)CC2)cs1 ZINC000225467355 291344938 /nfs/dbraw/zinc/34/49/38/291344938.db2.gz MDXQVVHMULEUOA-LJQANCHMSA-N 1 1 429.586 2.807 40 0 biogenic,in-vitro IFABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)Cc3ccccc3)CC2)cs1 ZINC000225467355 291344939 /nfs/dbraw/zinc/34/49/39/291344939.db2.gz MDXQVVHMULEUOA-LJQANCHMSA-N 1 1 429.586 2.807 40 0 biogenic,in-vitro IFABMO Cc1cc(-c2cnc(C)nc2C2CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)on1 ZINC000012127740 526045276 /nfs/dbraw/zinc/04/52/76/526045276.db2.gz WCWWPCCYJFFQOX-UHFFFAOYSA-N 1 1 449.511 2.973 40 0 IFABMO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)c(C)c2)cc1C ZINC000408674711 556065797 /nfs/dbraw/zinc/06/57/97/556065797.db2.gz GDVAKLMFUXXMNE-UHFFFAOYSA-N 1 1 431.558 2.565 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000030857752 556510457 /nfs/dbraw/zinc/51/04/57/556510457.db2.gz KYZGLNWEIQQSCA-KRWDZBQOSA-N 1 1 426.542 2.960 40 0 IFABMO O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013540739 556513548 /nfs/dbraw/zinc/51/35/48/556513548.db2.gz CXEOPBGOOGVGNI-KMDXXIMOSA-N 1 1 446.595 2.710 40 0 IFABMO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2C)cc1 ZINC000013678755 556555763 /nfs/dbraw/zinc/55/57/63/556555763.db2.gz ROXSCCMFRUCRJA-UHFFFAOYSA-N 1 1 431.558 2.556 40 0 IFABMO CC(C)(C)CC(=O)N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514288972 556625532 /nfs/dbraw/zinc/62/55/32/556625532.db2.gz LSXIRCPXQWYCHH-CMKODMSKSA-N 1 1 443.510 2.508 40 0 biogenic,in-vitro IFABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C(=O)NC(C)C ZINC000044884963 556675056 /nfs/dbraw/zinc/67/50/56/556675056.db2.gz IYXZNTVXGRVQHD-UHFFFAOYSA-N 1 1 442.541 2.806 40 0 IFABMO O=C(CCC1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014610 556691744 /nfs/dbraw/zinc/69/17/44/556691744.db2.gz UPPMIXAMLGHAGP-NRFANRHFSA-N 1 1 428.577 2.941 40 0 IFABMO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)N4CCOCC4)C3)cc2N1 ZINC000019083382 556697886 /nfs/dbraw/zinc/69/78/86/556697886.db2.gz IWUIBFAVCNQEDC-HYVNUMGLSA-N 1 1 443.514 2.865 40 0 IFABMO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)N4CCOCC4)C3)cc2N1 ZINC000019083382 556697888 /nfs/dbraw/zinc/69/78/88/556697888.db2.gz IWUIBFAVCNQEDC-HYVNUMGLSA-N 1 1 443.514 2.865 40 0 IFABMO COc1cc(C)ccc1C[N@H+]1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019133887 556705362 /nfs/dbraw/zinc/70/53/62/556705362.db2.gz NJYDQXKRYYWSNB-LJQANCHMSA-N 1 1 436.556 2.761 40 0 IFABMO Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)cc1 ZINC000019209603 556708413 /nfs/dbraw/zinc/70/84/13/556708413.db2.gz SZWTXHMMRZSUTI-QHCPKHFHSA-N 1 1 443.551 2.938 40 0 IFABMO Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000019209603 556708416 /nfs/dbraw/zinc/70/84/16/556708416.db2.gz SZWTXHMMRZSUTI-QHCPKHFHSA-N 1 1 443.551 2.938 40 0 IFABMO Cc1ccnc(N2CCC[C@H](c3nc(N4CC[NH+](C)CC4)ncc3-c3ccncc3)C2)n1 ZINC000019238234 556723010 /nfs/dbraw/zinc/72/30/10/556723010.db2.gz WTBSGDJQRVCTKV-FQEVSTJZSA-N 1 1 430.560 2.773 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)C[C@@H]3CCCO3)[nH]c(=O)c2C1 ZINC000019238679 556723543 /nfs/dbraw/zinc/72/35/43/556723543.db2.gz UNNMZLDFUWJFHS-LPHOPBHVSA-N 1 1 442.585 2.931 40 0 IFABMO Cc1nc2c(c(=O)n1CC(=O)NCCc1ccccc1F)CC[N@H+](Cc1ccccc1)C2 ZINC000019286133 556727689 /nfs/dbraw/zinc/72/76/89/556727689.db2.gz ZRSYKWMWYHXABU-UHFFFAOYSA-N 1 1 434.515 2.608 40 0 IFABMO Cc1nc2c(c(=O)n1CC(=O)NCCc1ccccc1F)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286133 556727691 /nfs/dbraw/zinc/72/76/91/556727691.db2.gz ZRSYKWMWYHXABU-UHFFFAOYSA-N 1 1 434.515 2.608 40 0 IFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 ZINC000019293045 556732391 /nfs/dbraw/zinc/73/23/91/556732391.db2.gz XHAWOOWPWAVXAY-HNNXBMFYSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 ZINC000019293045 556732395 /nfs/dbraw/zinc/73/23/95/556732395.db2.gz XHAWOOWPWAVXAY-HNNXBMFYSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(Cc1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339361 556739540 /nfs/dbraw/zinc/73/95/40/556739540.db2.gz AOYVXFBJGOVNSV-HXUWFJFHSA-N 1 1 435.553 2.691 40 0 IFABMO O=C(Cc1cccs1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339361 556739542 /nfs/dbraw/zinc/73/95/42/556739542.db2.gz AOYVXFBJGOVNSV-HXUWFJFHSA-N 1 1 435.553 2.691 40 0 IFABMO O=C(CCn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019406124 556755110 /nfs/dbraw/zinc/75/51/10/556755110.db2.gz IAMIQPDDJDJCAE-OAQYLSRUSA-N 1 1 438.576 2.801 40 0 IFABMO COc1cccc(C[N@H+]2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCC4)n3)C2)c1F ZINC000019450081 556760983 /nfs/dbraw/zinc/76/09/83/556760983.db2.gz SJQMESUINKCKIQ-OALUTQOASA-N 1 1 441.551 2.965 40 0 IFABMO C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459028 556766395 /nfs/dbraw/zinc/76/63/95/556766395.db2.gz WYUUSSLKNWGKSU-GHTZIAJQSA-N 1 1 443.551 2.843 40 0 IFABMO C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459028 556766396 /nfs/dbraw/zinc/76/63/96/556766396.db2.gz WYUUSSLKNWGKSU-GHTZIAJQSA-N 1 1 443.551 2.843 40 0 IFABMO COc1ccc2c(c1)C[C@H](C1CCOCC1)[N@H+](Cc1ccc(OCC(N)=O)c(OC)c1)C2 ZINC000019562510 556803766 /nfs/dbraw/zinc/80/37/66/556803766.db2.gz MOLWHAHTCOFSEZ-JOCHJYFZSA-N 1 1 440.540 2.921 40 0 IFABMO COc1ncc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)cn1 ZINC000019572012 556812357 /nfs/dbraw/zinc/81/23/57/556812357.db2.gz XPVSHRIUICNPHC-LJQANCHMSA-N 1 1 438.532 2.649 40 0 IFABMO CNc1nc([C@H]2CCCCN2C(=O)c2c(OC)cccc2OC)nc2c1CC[N@H+](C)C2 ZINC000019708440 556868838 /nfs/dbraw/zinc/86/88/38/556868838.db2.gz ZPQDMSSZPNHBBY-QGZVFWFLSA-N 1 1 425.533 2.891 40 0 IFABMO CNc1nc([C@H]2CCCCN2C(=O)c2c(OC)cccc2OC)nc2c1CC[N@@H+](C)C2 ZINC000019708440 556868842 /nfs/dbraw/zinc/86/88/42/556868842.db2.gz ZPQDMSSZPNHBBY-QGZVFWFLSA-N 1 1 425.533 2.891 40 0 IFABMO CNc1nc([C@@H]2CCCCN2C(=O)c2c(OC)cccc2OC)nc2c1CC[N@H+](C)C2 ZINC000019708439 556868981 /nfs/dbraw/zinc/86/89/81/556868981.db2.gz ZPQDMSSZPNHBBY-KRWDZBQOSA-N 1 1 425.533 2.891 40 0 IFABMO CNc1nc([C@@H]2CCCCN2C(=O)c2c(OC)cccc2OC)nc2c1CC[N@@H+](C)C2 ZINC000019708439 556868984 /nfs/dbraw/zinc/86/89/84/556868984.db2.gz ZPQDMSSZPNHBBY-KRWDZBQOSA-N 1 1 425.533 2.891 40 0 IFABMO Cc1nc(C2CC[NH+](CC(=O)N(C)C)CC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019739514 556878353 /nfs/dbraw/zinc/87/83/53/556878353.db2.gz SVCGWIUWSOTREI-UHFFFAOYSA-N 1 1 439.535 2.671 40 0 IFABMO COCCn1c(=O)n(C)c(=O)c2ccc([C@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)nc21 ZINC000019743043 556887097 /nfs/dbraw/zinc/88/70/97/556887097.db2.gz WIYJUEDCYJEKPH-KRWDZBQOSA-N 1 1 442.947 2.775 40 0 IFABMO Cn1c(=O)c2ccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)nc2n(Cc2ccccc2)c1=O ZINC000019743051 556887225 /nfs/dbraw/zinc/88/72/25/556887225.db2.gz BBOWHXLATPRQSY-OAQYLSRUSA-N 1 1 441.535 2.918 40 0 IFABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4ccccc4)CCO3)nc3ccccc32)CC1 ZINC000019762006 556906001 /nfs/dbraw/zinc/90/60/01/556906001.db2.gz UTXXIULCCYACHD-XMMPIXPASA-N 1 1 444.535 2.836 40 0 IFABMO Cc1nc([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)N1CCOCC1 ZINC000019764029 556908442 /nfs/dbraw/zinc/90/84/42/556908442.db2.gz YEYKVRKZMYQJBN-GOSISDBHSA-N 1 1 428.508 2.655 40 0 IFABMO COc1ccc(NC(=O)c2cnc([C@H]3CCN(C(=O)CCn4cc[nH+]c4C)C3)nc2C)cc1 ZINC000019766148 556911257 /nfs/dbraw/zinc/91/12/57/556911257.db2.gz UVGZOBDYDJNSDV-SFHVURJKSA-N 1 1 448.527 2.957 40 0 IFABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)Cc2ccccc2Cl)cc1 ZINC000409063184 556940376 /nfs/dbraw/zinc/94/03/76/556940376.db2.gz IGTMQUCZFYGBSF-UHFFFAOYSA-N 1 1 435.977 2.613 40 0 IFABMO Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)COCCN2CCCC2=O)[nH+]1 ZINC000072372640 556943336 /nfs/dbraw/zinc/94/33/36/556943336.db2.gz CDIMTGZQMCVFGS-FQEVSTJZSA-N 1 1 441.507 2.970 40 0 IFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2 ZINC000072376527 556955106 /nfs/dbraw/zinc/95/51/06/556955106.db2.gz ADMLNUWZEDNBNH-SFHVURJKSA-N 1 1 448.571 2.653 40 0 IFABMO C[N@@H+]1CCN(C(=O)c2cccn(CC(=O)Nc3ccc(F)cc3)c2=O)[C@@H](c2ccccc2)C1 ZINC000072392195 556963260 /nfs/dbraw/zinc/96/32/60/556963260.db2.gz IAJDMOVUFGBKSM-JOCHJYFZSA-N 1 1 448.498 2.755 40 0 IFABMO C[N@H+]1CCN(C(=O)c2cccn(CC(=O)Nc3ccc(F)cc3)c2=O)[C@@H](c2ccccc2)C1 ZINC000072392195 556963262 /nfs/dbraw/zinc/96/32/62/556963262.db2.gz IAJDMOVUFGBKSM-JOCHJYFZSA-N 1 1 448.498 2.755 40 0 IFABMO CCCn1c(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)nc2ccccc21 ZINC000072392610 556963713 /nfs/dbraw/zinc/96/37/13/556963713.db2.gz LFVPSKIWQLXTKB-NVTAWBTOSA-N 1 1 437.544 2.983 40 0 IFABMO COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc(=O)[nH]2)CC1 ZINC000072399218 556971857 /nfs/dbraw/zinc/97/18/57/556971857.db2.gz ICAKSSRTVNGUBO-GOSISDBHSA-N 1 1 444.601 2.954 40 0 IFABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585105074 557037873 /nfs/dbraw/zinc/03/78/73/557037873.db2.gz XONMDJRPFWEQCI-JTAQYXEDSA-N 1 1 446.588 2.950 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1 ZINC000409412226 557108469 /nfs/dbraw/zinc/10/84/69/557108469.db2.gz UKQDIUIKRAHMCP-UHFFFAOYSA-N 1 1 428.769 2.577 40 0 IFABMO Cc1nn(CC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cc3cc(F)ccc3n21 ZINC000006749928 557126922 /nfs/dbraw/zinc/12/69/22/557126922.db2.gz RFZADHXGQVURRY-IYBDPMFKSA-N 1 1 427.524 2.581 40 0 IFABMO Cc1ccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096056138 557166988 /nfs/dbraw/zinc/16/69/88/557166988.db2.gz RANYLBNDGJDBCY-YKSBVNFPSA-N 1 1 438.576 2.563 40 0 IFABMO Cc1cc(C)c(C)c(O[C@H]2C[N@@H+](Cc3ccc(OCCN4CCNC4=O)cc3)C[C@@H]2O)c1 ZINC000585268840 557210375 /nfs/dbraw/zinc/21/03/75/557210375.db2.gz SMGNRNULZYPVIE-UPVQGACJSA-N 1 1 439.556 2.640 40 0 IFABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCc3cccc4c3OCO4)CC2)cc1 ZINC000585271491 557213479 /nfs/dbraw/zinc/21/34/79/557213479.db2.gz AGQKLWVFYHKFQL-XMMPIXPASA-N 1 1 426.513 2.636 40 0 IFABMO COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)c1 ZINC000585269693 557213850 /nfs/dbraw/zinc/21/38/50/557213850.db2.gz HZIQAKAWJKLKPE-FQEVSTJZSA-N 1 1 428.529 2.568 40 0 IFABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000585270344 557214160 /nfs/dbraw/zinc/21/41/60/557214160.db2.gz BTIVWPVYYGJHLI-VWLOTQADSA-N 1 1 426.557 2.804 40 0 IFABMO Cc1ccc(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000585283513 557223052 /nfs/dbraw/zinc/22/30/52/557223052.db2.gz RLKJQPSAUONFGL-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO CCCC(CCC)[N@H+]1CCN(C(=O)COC)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585283565 557223128 /nfs/dbraw/zinc/22/31/28/557223128.db2.gz RXZJBXIHVVJJAC-QFIPXVFZSA-N 1 1 428.520 2.834 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCCCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284095 557223445 /nfs/dbraw/zinc/22/34/45/557223445.db2.gz UZLOEGJOFHGRKI-JOCHJYFZSA-N 1 1 426.504 2.588 40 0 IFABMO CC[NH+]1CCN([C@H](c2nnnn2CCc2ccccc2)c2cccc(OC)c2OC)CC1 ZINC000022929956 557274341 /nfs/dbraw/zinc/27/43/41/557274341.db2.gz UFZLTAXLNOFZHM-QFIPXVFZSA-N 1 1 436.560 2.660 40 0 IFABMO COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928969 557277079 /nfs/dbraw/zinc/27/70/79/557277079.db2.gz QMHVCKKLCWOWOC-DNQXCXABSA-N 1 1 448.571 2.768 40 0 IFABMO Fc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928906 557277181 /nfs/dbraw/zinc/27/71/81/557277181.db2.gz XTFUKGXPAQVARO-DHIUTWEWSA-N 1 1 436.535 2.898 40 0 IFABMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](CC)CC2)c2ccc(C)cc2)cc1 ZINC000113933251 557309860 /nfs/dbraw/zinc/30/98/60/557309860.db2.gz LXUXIYVYQXKUAP-UHFFFAOYSA-N 1 1 445.585 2.753 40 0 IFABMO Cc1ccccc1N(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000222553263 557350420 /nfs/dbraw/zinc/35/04/20/557350420.db2.gz ZHQJBDFYWWTUQF-UHFFFAOYSA-N 1 1 429.586 2.886 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000014135496 557422777 /nfs/dbraw/zinc/42/27/77/557422777.db2.gz MRFCBZMDTGOIHL-UHFFFAOYSA-N 1 1 435.977 2.695 40 0 IFABMO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000223113581 557433480 /nfs/dbraw/zinc/43/34/80/557433480.db2.gz OCFYFGZDJRHEFH-UHFFFAOYSA-N 1 1 444.582 2.840 40 0 IFABMO CCOc1ccccc1N(CC(=O)N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000014411399 557444577 /nfs/dbraw/zinc/44/45/77/557444577.db2.gz QOTUUFIFGDERAR-UHFFFAOYSA-N 1 1 445.585 2.753 40 0 IFABMO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000223215556 557446923 /nfs/dbraw/zinc/44/69/23/557446923.db2.gz ZJPGWVMKPWANFN-UHFFFAOYSA-N 1 1 439.581 2.712 40 0 IFABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019568232 557500915 /nfs/dbraw/zinc/50/09/15/557500915.db2.gz WAGBNQAZTGVCSX-QHCPKHFHSA-N 1 1 443.555 2.517 40 0 IFABMO CCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019824938 557508497 /nfs/dbraw/zinc/50/84/97/557508497.db2.gz HJILWOGHBFGFNN-UHFFFAOYSA-N 1 1 446.617 2.736 40 0 IFABMO COc1ccc(CCn2nnnc2[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000020142401 557515951 /nfs/dbraw/zinc/51/59/51/557515951.db2.gz AWCBZBMKFVEGPQ-QHCPKHFHSA-N 1 1 436.560 2.578 40 0 IFABMO CCOc1ccc(Nc2cc(C)nc(NC(=S)NCCC[NH+]3CCOCC3)n2)cc1 ZINC000225201425 557699605 /nfs/dbraw/zinc/69/96/05/557699605.db2.gz PIENKTMQLPWDOQ-UHFFFAOYSA-N 1 1 430.578 2.936 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000225209639 557700674 /nfs/dbraw/zinc/70/06/74/557700674.db2.gz WFMVEBLXFOFOLK-AWEZNQCLSA-N 1 1 448.495 2.930 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000225469552 557726444 /nfs/dbraw/zinc/72/64/44/557726444.db2.gz IZUGNPIVZJJJJS-UHFFFAOYSA-N 1 1 438.553 2.898 40 0 IFABMO COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)C=C[C@]4(Br)[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000253504255 560038411 /nfs/dbraw/zinc/03/84/11/560038411.db2.gz DOUIIQXGCWGWBD-HZDRLRHHSA-N 1 1 434.330 2.980 40 0 biogenic,in-vitro IFABMO Cc1ccc(C)c(OC[C@@]2(O)CN(Cc3ccc(OCC[NH+](C)C)cc3)CC[C@@H]2O)c1C ZINC000585285940 568618873 /nfs/dbraw/zinc/61/88/73/568618873.db2.gz FMSOTHPMUKXVFA-AHWVRZQESA-N 1 1 442.600 2.929 40 0 IFABMO O=C(C[N@@H+]1CCC[C@@H]1c1ccnc(-c2ccccn2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257209616 568669418 /nfs/dbraw/zinc/66/94/18/568669418.db2.gz BRCVYQKIZQSPSW-OAQYLSRUSA-N 1 1 427.512 2.911 40 0 IFABMO O=C(C[N@H+]1CCC[C@@H]1c1ccnc(-c2ccccn2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257209616 568669421 /nfs/dbraw/zinc/66/94/21/568669421.db2.gz BRCVYQKIZQSPSW-OAQYLSRUSA-N 1 1 427.512 2.911 40 0 IFABMO Cc1nc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@@H+](C)Cc2ccccc2)co1 ZINC000257209682 568669468 /nfs/dbraw/zinc/66/94/68/568669468.db2.gz BRLXWZCXZHSSBQ-LGKPFJOYSA-N 1 1 439.487 2.933 40 0 IFABMO Cc1cc(C(=O)N2CC[C@@H](c3[nH]ncc3-c3ccnc(N)c3)C2)nc(N2CCCCC2)n1 ZINC000257237942 568682821 /nfs/dbraw/zinc/68/28/21/568682821.db2.gz HIXJCJUCHYJPOL-QGZVFWFLSA-N 1 1 432.532 2.772 40 0 IFABMO CC(=O)N1CCCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2CC(=O)Nc1nc(C)cc(=O)[nH]1 ZINC000257252712 568689865 /nfs/dbraw/zinc/68/98/65/568689865.db2.gz JVVKUMAVMLXRGH-JTAQYXEDSA-N 1 1 437.544 2.688 40 0 IFABMO CC(=O)Nc1ccc(NC(=O)CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)[C@@H](O)C2)cc1 ZINC000257258705 568692590 /nfs/dbraw/zinc/69/25/90/568692590.db2.gz KVDUYWQQYAJHMA-ZCYQVOJMSA-N 1 1 436.556 2.685 40 0 IFABMO COc1cccc(C[N@H+](C)CC(=O)N2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)c1 ZINC000257260604 568693213 /nfs/dbraw/zinc/69/32/13/568693213.db2.gz LDNOHDVHHORLTC-QFIPXVFZSA-N 1 1 448.527 2.656 40 0 IFABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)c1 ZINC000257260604 568693214 /nfs/dbraw/zinc/69/32/14/568693214.db2.gz LDNOHDVHHORLTC-QFIPXVFZSA-N 1 1 448.527 2.656 40 0 IFABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)N(C)C)N(C)[C@H]1c1ccccc1 ZINC000257274622 568699665 /nfs/dbraw/zinc/69/96/65/568699665.db2.gz NLXHBXBZMDNBOM-SGNDLWITSA-N 1 1 445.567 2.872 40 0 IFABMO Cc1cc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@@H+](C)Cc2ccccc2)on1 ZINC000257283348 568703558 /nfs/dbraw/zinc/70/35/58/568703558.db2.gz OXXCWJGHBASIRU-SCPDWHHUSA-N 1 1 439.487 2.933 40 0 IFABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)NCCc3nc4ccccc4[nH]3)CC[C@H]21 ZINC000257336769 568727332 /nfs/dbraw/zinc/72/73/32/568727332.db2.gz YPYUGCOHSVDLJB-PQNGQFLHSA-N 1 1 445.567 2.558 40 0 IFABMO COc1cccc(C[N@H+](C)CC(=O)N2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)c1 ZINC000257338762 568728174 /nfs/dbraw/zinc/72/81/74/568728174.db2.gz YYWDHNJVFXMCIA-OAQYLSRUSA-N 1 1 448.527 2.656 40 0 IFABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCO[C@@H](c3cccc(Nc4ncccn4)n3)C2)c1 ZINC000257338762 568728175 /nfs/dbraw/zinc/72/81/75/568728175.db2.gz YYWDHNJVFXMCIA-OAQYLSRUSA-N 1 1 448.527 2.656 40 0 IFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(=O)C3CC3)c2)cc1 ZINC000257340597 568728755 /nfs/dbraw/zinc/72/87/55/568728755.db2.gz ZGVYYJIHQAGWEO-BJKOFHAPSA-N 1 1 435.568 2.726 40 0 IFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(=O)C3CC3)c2)cc1 ZINC000257340600 568728957 /nfs/dbraw/zinc/72/89/57/568728957.db2.gz ZGVYYJIHQAGWEO-ZEQRLZLVSA-N 1 1 435.568 2.726 40 0 IFABMO Cc1ncsc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257341867 568729456 /nfs/dbraw/zinc/72/94/56/568729456.db2.gz ZMGDGDGTYVCJTG-ICSRJNTNSA-N 1 1 442.585 2.525 40 0 IFABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(nnc2C(=O)NCc2ccccc2)CN3C)cc1 ZINC000306123561 568762775 /nfs/dbraw/zinc/76/27/75/568762775.db2.gz AQDPBYSSCQLOIF-VWLOTQADSA-N 1 1 430.556 2.607 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000306124488 568763219 /nfs/dbraw/zinc/76/32/19/568763219.db2.gz BRCVXAOOMNLZAV-SQJMNOBHSA-N 1 1 435.572 2.730 40 0 IFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccc(OC)cc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124958 568763527 /nfs/dbraw/zinc/76/35/27/568763527.db2.gz CDFQHECLKIXGQL-ZJSXRUAMSA-N 1 1 426.561 2.937 40 0 IFABMO CCNC(=O)NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)O1 ZINC000306133318 568767760 /nfs/dbraw/zinc/76/77/60/568767760.db2.gz MIJADIWKIAQMDL-QPPBQGQZSA-N 1 1 442.535 2.957 40 0 IFABMO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000306139724 568771329 /nfs/dbraw/zinc/77/13/29/568771329.db2.gz TYOHPUCQYWPHBZ-DEOSSOPVSA-N 1 1 432.480 2.590 40 0 IFABMO COc1ncccc1C[N@H+]1C[C@@H](c2ccnn2C)[C@]2(C1)CCCN(Cc1ccncc1)C2=O ZINC000306140007 568771499 /nfs/dbraw/zinc/77/14/99/568771499.db2.gz UGSRYDYJQRGAPC-SQJMNOBHSA-N 1 1 446.555 2.627 40 0 IFABMO CCNC(=O)NC[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccc(OC)c4ccccc34)C2)O1 ZINC000306142748 568772994 /nfs/dbraw/zinc/77/29/94/568772994.db2.gz XIHJODYWJCKRNN-CYFREDJKSA-N 1 1 427.545 2.918 40 0 IFABMO Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)c2ccccc2c1=O ZINC000257198672 568921700 /nfs/dbraw/zinc/92/17/00/568921700.db2.gz FRVAKXNDVPTLIH-RHDWJPPYSA-N 1 1 432.568 2.898 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1CO ZINC000227307258 569183142 /nfs/dbraw/zinc/18/31/42/569183142.db2.gz IJQKWVHSIMOULQ-WDJPJFJCSA-N 1 1 439.556 2.831 40 0 IFABMO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016959416 569225782 /nfs/dbraw/zinc/22/57/82/569225782.db2.gz FMBLFQKXJAIPQU-UHFFFAOYSA-N 1 1 441.597 2.748 40 0 IFABMO O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccncc2)CC1 ZINC000019699309 569230411 /nfs/dbraw/zinc/23/04/11/569230411.db2.gz NAVFXKZCSLIRAY-UHFFFAOYSA-N 1 1 447.583 2.675 40 0 IFABMO COc1cc2c(cc1C[N@H+]1CC[C@H](c3cc(C(=O)Nc4nccs4)n[nH]3)C1)OCCO2 ZINC000019707704 569234476 /nfs/dbraw/zinc/23/44/76/569234476.db2.gz ANDXOMPIERORMG-ZDUSSCGKSA-N 1 1 441.513 2.888 40 0 IFABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(Cl)cc42)[N@H+]2CCC[C@@H]32)cc1 ZINC000009360106 569295840 /nfs/dbraw/zinc/29/58/40/569295840.db2.gz CKQHOCFSFLTMIJ-KEXUJGGDSA-N 1 1 437.883 2.780 40 0 IFABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(Cl)cc42)[N@@H+]2CCC[C@@H]32)cc1 ZINC000009360106 569295841 /nfs/dbraw/zinc/29/58/41/569295841.db2.gz CKQHOCFSFLTMIJ-KEXUJGGDSA-N 1 1 437.883 2.780 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(C)n2c(cc3c2cccc3OC)c1=O ZINC000009971712 569298803 /nfs/dbraw/zinc/29/88/03/569298803.db2.gz VWMSYWPBHYSSHD-GOSISDBHSA-N 1 1 439.560 2.737 40 0 IFABMO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](C3CCN(C(C)=O)CC3)C2)cc1 ZINC000005433845 291340330 /nfs/dbraw/zinc/34/03/30/291340330.db2.gz JDODDMZNQXPWDQ-PZJWPPBQSA-N 1 1 448.567 2.904 40 0 biogenic,in-vitro IFABMO COc1ccc(CNC(=O)[C@H]2O[C@H](CC[N@@H+](C)CCc3ccccc3)CC[C@@H]2O)cc1 ZINC000030879333 291346930 /nfs/dbraw/zinc/34/69/30/291346930.db2.gz VPWKIXKQHCDJDN-HJOGWXRNSA-N 1 1 426.557 2.785 40 0 biogenic,in-vitro IFABMO COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)C=C[C@]4(Br)[C@H](C2)[N@@H+](C)CC[C@@]314 ZINC000096316405 291347153 /nfs/dbraw/zinc/34/71/53/291347153.db2.gz DOUIIQXGCWGWBD-ADDNLYQESA-N 1 1 434.330 2.980 40 0 biogenic,in-vitro IFABMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(=O)N4CCC(C)CC4)CC3)C2=O)cc1 ZINC000022133999 521037082 /nfs/dbraw/zinc/03/70/82/521037082.db2.gz NKHXTTWHHYIJQN-NRFANRHFSA-N 1 1 427.545 2.688 40 0 IFABMO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000012157726 521176013 /nfs/dbraw/zinc/17/60/13/521176013.db2.gz HCTHWKUFQDUHEZ-WIYYLYMNSA-N 1 1 429.590 2.854 40 0 IFABMO CCOc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(C)(=O)=O ZINC000020492015 521512683 /nfs/dbraw/zinc/51/26/83/521512683.db2.gz ZZYVGQFEMWKURS-UHFFFAOYSA-N 1 1 442.541 2.662 40 0 IFABMO O=C(C[NH+]1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1)N1CCCc2ccccc21 ZINC000012114041 526728277 /nfs/dbraw/zinc/72/82/77/526728277.db2.gz YFWBEZZIUUNTCZ-UHFFFAOYSA-N 1 1 435.450 2.644 40 0 IFABMO O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020512672 527138771 /nfs/dbraw/zinc/13/87/71/527138771.db2.gz CXEOPBGOOGVGNI-HJOGWXRNSA-N 1 1 446.595 2.710 40 0 IFABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000100203936 555701937 /nfs/dbraw/zinc/70/19/37/555701937.db2.gz UMWHVBTZIYRUQL-QSNWEANLSA-N 1 1 425.847 2.910 40 0 IFABMO O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000100203936 555701941 /nfs/dbraw/zinc/70/19/41/555701941.db2.gz UMWHVBTZIYRUQL-QSNWEANLSA-N 1 1 425.847 2.910 40 0 IFABMO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2C)c1 ZINC000408619820 555988885 /nfs/dbraw/zinc/98/88/85/555988885.db2.gz NTELCBVXRAAARS-UHFFFAOYSA-N 1 1 445.585 2.865 40 0 IFABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC)[C@@H]1OC ZINC000005063186 556030926 /nfs/dbraw/zinc/03/09/26/556030926.db2.gz FPGCYQVKNKEGRQ-KNQAFTFISA-N 1 1 428.529 2.935 40 0 IFABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC)[C@@H]1OC ZINC000005063186 556030930 /nfs/dbraw/zinc/03/09/30/556030930.db2.gz FPGCYQVKNKEGRQ-KNQAFTFISA-N 1 1 428.529 2.935 40 0 IFABMO Cc1ccccc1CN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C ZINC000010357119 556333425 /nfs/dbraw/zinc/33/34/25/556333425.db2.gz LLBZQXDFEINGMR-UHFFFAOYSA-N 1 1 428.496 2.650 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000030871040 556513475 /nfs/dbraw/zinc/51/34/75/556513475.db2.gz DKUWLOSZQXAQHT-UHFFFAOYSA-N 1 1 444.582 2.959 40 0 IFABMO O=C(C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000031771988 556526131 /nfs/dbraw/zinc/52/61/31/556526131.db2.gz FUHORYXMCREXLF-DAXSKMNVSA-N 1 1 437.559 2.967 40 0 IFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000038850516 556624492 /nfs/dbraw/zinc/62/44/92/556624492.db2.gz AEAAMBCMHJLBBE-UHFFFAOYSA-N 1 1 440.525 2.513 40 0 IFABMO C[C@@H](C(=O)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1)[NH+]1CCCC1 ZINC000019077910 556695169 /nfs/dbraw/zinc/69/51/69/556695169.db2.gz BZWHBIZGLZXWCG-SFHVURJKSA-N 1 1 435.572 2.799 40 0 IFABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCCN2CCCC2=O)cc1 ZINC000257217399 556703051 /nfs/dbraw/zinc/70/30/51/556703051.db2.gz CYTQOJHEAPGAGI-OAQYLSRUSA-N 1 1 442.556 2.958 40 0 IFABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000257336562 556706757 /nfs/dbraw/zinc/70/67/57/556706757.db2.gz YOZMVZAACOEVNH-SANMLTNESA-N 1 1 428.536 2.806 40 0 IFABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000257336562 556706759 /nfs/dbraw/zinc/70/67/59/556706759.db2.gz YOZMVZAACOEVNH-SANMLTNESA-N 1 1 428.536 2.806 40 0 IFABMO Cc1cc(C)n(CCOc2ccc(C[N@H+]3C[C@H](O)[C@@H](N4CCC(F)(F)CC4)C3)cc2)n1 ZINC000257227766 556708661 /nfs/dbraw/zinc/70/86/61/556708661.db2.gz FQUIRIFDYBJGFO-VXKWHMMOSA-N 1 1 434.531 2.855 40 0 IFABMO Cc1cc(C)n(CCOc2ccc(CN3C[C@H](O)[C@@H]([NH+]4CCC(F)(F)CC4)C3)cc2)n1 ZINC000257227766 556708666 /nfs/dbraw/zinc/70/86/66/556708666.db2.gz FQUIRIFDYBJGFO-VXKWHMMOSA-N 1 1 434.531 2.855 40 0 IFABMO Cc1ccc(C(=O)N2CCc3nc([C@H]4CCC[N@H+]4C4CCOCC4)[nH]c(=O)c3C2)s1 ZINC000019217034 556712473 /nfs/dbraw/zinc/71/24/73/556712473.db2.gz ZJOWKEUYDVGASR-GOSISDBHSA-N 1 1 428.558 2.654 40 0 IFABMO Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019237068 556721948 /nfs/dbraw/zinc/72/19/48/556721948.db2.gz JEGCUPFLLUQKCM-HSZRJFAPSA-N 1 1 443.551 2.938 40 0 IFABMO Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019237068 556721951 /nfs/dbraw/zinc/72/19/51/556721951.db2.gz JEGCUPFLLUQKCM-HSZRJFAPSA-N 1 1 443.551 2.938 40 0 IFABMO Cn1nccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019289142 556729052 /nfs/dbraw/zinc/72/90/52/556729052.db2.gz FSDNWFYHXUHWHJ-FQEVSTJZSA-N 1 1 438.576 2.809 40 0 IFABMO NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)no2)C1 ZINC000019292857 556732469 /nfs/dbraw/zinc/73/24/69/556732469.db2.gz UFWIDMASCPWUSJ-MRXNPFEDSA-N 1 1 432.471 2.670 40 0 IFABMO O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019293544 556733030 /nfs/dbraw/zinc/73/30/30/556733030.db2.gz MXPATUUQZKXMNK-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019293544 556733034 /nfs/dbraw/zinc/73/30/34/556733034.db2.gz MXPATUUQZKXMNK-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339353 556739446 /nfs/dbraw/zinc/73/94/46/556739446.db2.gz VRBZQVJWRKMUGH-JOCHJYFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339353 556739452 /nfs/dbraw/zinc/73/94/52/556739452.db2.gz VRBZQVJWRKMUGH-JOCHJYFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C1CCOC[C@]2(C[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2cccnc2)N1 ZINC000019340007 556739898 /nfs/dbraw/zinc/73/98/98/556739898.db2.gz VIBLRJMAOBZDJU-URXFXBBRSA-N 1 1 431.496 2.539 40 0 IFABMO O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019347551 556743147 /nfs/dbraw/zinc/74/31/47/556743147.db2.gz INHOSCYXIBVXFT-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019347551 556743150 /nfs/dbraw/zinc/74/31/50/556743150.db2.gz INHOSCYXIBVXFT-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349303 556744323 /nfs/dbraw/zinc/74/43/23/556744323.db2.gz YAFLMMLRJIBBCA-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1cccnc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349303 556744327 /nfs/dbraw/zinc/74/43/27/556744327.db2.gz YAFLMMLRJIBBCA-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(Cc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019370194 556747447 /nfs/dbraw/zinc/74/74/47/556747447.db2.gz DFCWYWWJLXAVTD-QFIPXVFZSA-N 1 1 429.524 2.629 40 0 IFABMO O=C(Cc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019370194 556747450 /nfs/dbraw/zinc/74/74/50/556747450.db2.gz DFCWYWWJLXAVTD-QFIPXVFZSA-N 1 1 429.524 2.629 40 0 IFABMO O=C(c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](Cc2ccccc2)CC1)N1CCSCC1 ZINC000019372416 556748862 /nfs/dbraw/zinc/74/88/62/556748862.db2.gz ZQPJYKKSQHWKRN-UHFFFAOYSA-N 1 1 434.565 2.644 40 0 IFABMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019453232 556763862 /nfs/dbraw/zinc/76/38/62/556763862.db2.gz AOVVKESKLHREBX-IBGZPJMESA-N 1 1 444.601 2.591 40 0 IFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cnc(C(C)C)nc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019454122 556764702 /nfs/dbraw/zinc/76/47/02/556764702.db2.gz GNYZRRIMOLVCHG-PMACEKPBSA-N 1 1 437.592 2.730 40 0 IFABMO CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(Cc3cccc(C)n3)C[C@H]2C1=O ZINC000019526397 556784569 /nfs/dbraw/zinc/78/45/69/556784569.db2.gz AOZOHLMEUXPGAE-NVQXNPDNSA-N 1 1 449.599 2.699 40 0 IFABMO Cc1nonc1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019558760 556800654 /nfs/dbraw/zinc/80/06/54/556800654.db2.gz VJNGXVSEXUIHFL-AWEZNQCLSA-N 1 1 440.529 2.513 40 0 IFABMO Cc1nonc1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019558757 556800740 /nfs/dbraw/zinc/80/07/40/556800740.db2.gz VJNGXVSEXUIHFL-CQSZACIVSA-N 1 1 440.529 2.513 40 0 IFABMO COc1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)cc1OC ZINC000019560741 556801977 /nfs/dbraw/zinc/80/19/77/556801977.db2.gz SKJDYEAUDVPPKX-FQEVSTJZSA-N 1 1 428.533 2.512 40 0 IFABMO COc1ccc(C[N@H+](Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)cc1OC ZINC000019560741 556801981 /nfs/dbraw/zinc/80/19/81/556801981.db2.gz SKJDYEAUDVPPKX-FQEVSTJZSA-N 1 1 428.533 2.512 40 0 IFABMO COc1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]2CCCO2)cc1OC ZINC000019560744 556802117 /nfs/dbraw/zinc/80/21/17/556802117.db2.gz SKJDYEAUDVPPKX-HXUWFJFHSA-N 1 1 428.533 2.512 40 0 IFABMO COc1ccc(C[N@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]2CCCO2)cc1OC ZINC000019560744 556802120 /nfs/dbraw/zinc/80/21/20/556802120.db2.gz SKJDYEAUDVPPKX-HXUWFJFHSA-N 1 1 428.533 2.512 40 0 IFABMO COc1ccc2c(c1)c(C[N@H+]1C[C@@H](c3cccnc3)[C@]3(C1)COCCC(=O)N3)c(C)n2C ZINC000019581558 556819716 /nfs/dbraw/zinc/81/97/16/556819716.db2.gz HACUASJRHOJMIR-DHLKQENFSA-N 1 1 434.540 2.765 40 0 IFABMO COc1cccc2ccc(C[N@@H+](C)Cc3ccc([C@H]4CN(C(C)=O)C[C@@H]4C(N)=O)cc3)nc21 ZINC000019699184 556858277 /nfs/dbraw/zinc/85/82/77/556858277.db2.gz ZQANVIVPNSDVOA-PKTZIBPZSA-N 1 1 446.551 2.923 40 0 IFABMO O=C(c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000019708051 556868096 /nfs/dbraw/zinc/86/80/96/556868096.db2.gz CSSYHOWDGJHJNP-OAQYLSRUSA-N 1 1 433.556 2.807 40 0 IFABMO O=C(c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000019708051 556868099 /nfs/dbraw/zinc/86/80/99/556868099.db2.gz CSSYHOWDGJHJNP-OAQYLSRUSA-N 1 1 433.556 2.807 40 0 IFABMO CNc1nc([C@@H]2CCCN(C(=O)CCN(C)c3ccccc3F)C2)nc2c1CC[N@H+](C)C2 ZINC000019708536 556869179 /nfs/dbraw/zinc/86/91/79/556869179.db2.gz GSNFHFRTDZYWFC-QGZVFWFLSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc([C@@H]2CCCN(C(=O)CCN(C)c3ccccc3F)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708536 556869182 /nfs/dbraw/zinc/86/91/82/556869182.db2.gz GSNFHFRTDZYWFC-QGZVFWFLSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc([C@@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708818 556870465 /nfs/dbraw/zinc/87/04/65/556870465.db2.gz BFYQUDNZTYQROF-MRXNPFEDSA-N 1 1 427.524 2.820 40 0 IFABMO CNc1nc([C@@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708818 556870469 /nfs/dbraw/zinc/87/04/69/556870469.db2.gz BFYQUDNZTYQROF-MRXNPFEDSA-N 1 1 427.524 2.820 40 0 IFABMO Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000019757118 556901407 /nfs/dbraw/zinc/90/14/07/556901407.db2.gz OVQZSJCOEFBVJR-HXUWFJFHSA-N 1 1 427.593 2.677 40 0 IFABMO Cc1cc2c(cc1C[N@H+]1CC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)n(C)c(=O)n2C ZINC000019757649 556901643 /nfs/dbraw/zinc/90/16/43/556901643.db2.gz IPVPJAUIFYMOOH-GOSISDBHSA-N 1 1 448.571 2.509 40 0 IFABMO Cc1cc2c(cc3c(=O)n(CC(=O)N4CC[NH+](Cc5ccccc5)CC4)nc(C)n23)s1 ZINC000072334628 556907149 /nfs/dbraw/zinc/90/71/49/556907149.db2.gz KATBCNBZGXCWLL-UHFFFAOYSA-N 1 1 435.553 2.672 40 0 IFABMO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@@H+](CC(C)(C)CN1CCOCC1)C3 ZINC000072339394 556911630 /nfs/dbraw/zinc/91/16/30/556911630.db2.gz SEOJHMZYADHYPL-UHFFFAOYSA-N 1 1 425.533 2.720 40 0 IFABMO COC(=O)[C@@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340242 556912200 /nfs/dbraw/zinc/91/22/00/556912200.db2.gz FXGCNPNVFBQWKA-HSEBIALKSA-N 1 1 442.556 2.809 40 0 IFABMO CCOC(=O)[C@@H](C)n1c2sc3c(c2c(=O)n(CC)c1=O)CC[N@@H+](Cc1ccccc1)C3 ZINC000019819680 556923113 /nfs/dbraw/zinc/92/31/13/556923113.db2.gz UBDRKDZAYYJRFN-OAHLLOKOSA-N 1 1 441.553 2.927 40 0 IFABMO CCOC(=O)[C@@H](C)n1c2sc3c(c2c(=O)n(CC)c1=O)CC[N@H+](Cc1ccccc1)C3 ZINC000019819680 556923114 /nfs/dbraw/zinc/92/31/14/556923114.db2.gz UBDRKDZAYYJRFN-OAHLLOKOSA-N 1 1 441.553 2.927 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)ccc1OCC(N)=O ZINC000072353448 556926749 /nfs/dbraw/zinc/92/67/49/556926749.db2.gz VFFPODDFAKBHQF-SFHVURJKSA-N 1 1 448.527 2.868 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)ccc1OCC(N)=O ZINC000072353449 556926858 /nfs/dbraw/zinc/92/68/58/556926858.db2.gz VFFPODDFAKBHQF-GOSISDBHSA-N 1 1 448.527 2.868 40 0 IFABMO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)COCCN2CCCC2=O)[nH+]1 ZINC000072372641 556943362 /nfs/dbraw/zinc/94/33/62/556943362.db2.gz CDIMTGZQMCVFGS-HXUWFJFHSA-N 1 1 441.507 2.970 40 0 IFABMO COc1ccc2c(c1)C=C(C[N@H+]1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)CO2 ZINC000072392616 556963906 /nfs/dbraw/zinc/96/39/06/556963906.db2.gz BLXAOIYZHXGZET-LZBHBKQYSA-N 1 1 439.512 2.508 40 0 IFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc2C1 ZINC000257293012 556999576 /nfs/dbraw/zinc/99/95/76/556999576.db2.gz QNUMIIOHSBFBEM-BRWVUGGUSA-N 1 1 440.544 2.761 40 0 IFABMO CC(C)(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 ZINC000585102010 557035637 /nfs/dbraw/zinc/03/56/37/557035637.db2.gz WZTSJKUHBGAOEC-NRFANRHFSA-N 1 1 444.620 2.699 40 0 IFABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1 ZINC000585103531 557037142 /nfs/dbraw/zinc/03/71/42/557037142.db2.gz HEPWPPWSMNEPJC-HJOGWXRNSA-N 1 1 443.632 2.928 40 0 IFABMO O=C(Cc1ccccn1)NC[C@@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@@H+]12 ZINC000585110219 557043493 /nfs/dbraw/zinc/04/34/93/557043493.db2.gz YGHMNTKMCVAUNJ-GOTSBHOMSA-N 1 1 441.535 2.829 40 0 IFABMO COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)Cc5nc(C)no5)CCO4)[nH+]cn3c2)cc1 ZINC000585113176 557044992 /nfs/dbraw/zinc/04/49/92/557044992.db2.gz XBZHDQVOTTUVDM-FQEVSTJZSA-N 1 1 433.468 2.844 40 0 IFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)CC1 ZINC000409376569 557092424 /nfs/dbraw/zinc/09/24/24/557092424.db2.gz ZOWITPFMYFLYTR-UHFFFAOYSA-N 1 1 431.558 2.647 40 0 IFABMO CCN1CC[C@@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2nccs2)CC3)C1=O ZINC000096036463 557163329 /nfs/dbraw/zinc/16/33/29/557163329.db2.gz NLNQDLQYLQRAHN-HSZRJFAPSA-N 1 1 425.602 2.875 40 0 IFABMO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000096036923 557164207 /nfs/dbraw/zinc/16/42/07/557164207.db2.gz XBUGOERTGBFZBZ-UHFFFAOYSA-N 1 1 437.569 2.712 40 0 IFABMO CN(C)C(=O)[C@@]12CCC3(CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096143849 557171016 /nfs/dbraw/zinc/17/10/16/557171016.db2.gz DDISTEBOFNFFAY-GHTZIAJQSA-N 1 1 440.009 2.541 40 0 IFABMO O=C(NCc1ccccn1)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096155943 557180344 /nfs/dbraw/zinc/18/03/44/557180344.db2.gz OICGTTONNYUXGD-UHFFFAOYSA-N 1 1 426.524 2.982 40 0 IFABMO CCCCS(=O)(=O)N1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242283 557186334 /nfs/dbraw/zinc/18/63/34/557186334.db2.gz PQYWHPLTKXTCRD-FQEVSTJZSA-N 1 1 447.645 2.802 40 0 IFABMO COc1cccc(C(=O)N2CCC3(CC[C@@]4(C(=O)N5CCCC5)C[N@@H+](C)C[C@@H]34)CC2)c1 ZINC000096262430 557189971 /nfs/dbraw/zinc/18/99/71/557189971.db2.gz JWFLUIXJMZYUEX-SQJMNOBHSA-N 1 1 425.573 2.882 40 0 IFABMO CCN1CC[C@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccc(C)c(C)c2)CC3)C1=O ZINC000096262794 557190439 /nfs/dbraw/zinc/19/04/39/557190439.db2.gz NWAJOMFSJGLGDJ-VWLOTQADSA-N 1 1 427.589 2.726 40 0 IFABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCOC[C@@](O)(COc4ccc(F)cc4)C3)CC2)c1 ZINC000585284943 557224537 /nfs/dbraw/zinc/22/45/37/557224537.db2.gz BCXKTSQZNJMXKX-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Cc1cccc(OC[C@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)C2)c1 ZINC000585286839 557225603 /nfs/dbraw/zinc/22/56/03/557225603.db2.gz JKYUVRPUHQAHJS-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCOC[C@](O)(COc4cccc(F)c4)C3)CC2)c1 ZINC000585287588 557227685 /nfs/dbraw/zinc/22/76/85/557227685.db2.gz PDWKANVPEHRUJW-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO CC(C)[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022929647 557273880 /nfs/dbraw/zinc/27/38/80/557273880.db2.gz KNAPIDNQJCGDHJ-QHCPKHFHSA-N 1 1 434.544 2.965 40 0 IFABMO COc1ccccc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022928982 557277206 /nfs/dbraw/zinc/27/72/06/557277206.db2.gz LRFBUIWOKZSDOB-ZJSXRUAMSA-N 1 1 448.571 2.768 40 0 IFABMO Cc1occc1-c1nnc(SCC(=O)NC2CCCC2)n1CCC[NH+]1CCOCC1 ZINC000013511954 557332528 /nfs/dbraw/zinc/33/25/28/557332528.db2.gz GHJCKXDTNCBGBM-UHFFFAOYSA-N 1 1 433.578 2.720 40 0 IFABMO COC(=O)C1=C(C[NH2+]Cc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566248 557344142 /nfs/dbraw/zinc/34/41/42/557344142.db2.gz DFJFGBMRFCNVAM-HXUWFJFHSA-N 1 1 445.903 2.928 40 0 IFABMO COc1cccc(N(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000222590427 557357337 /nfs/dbraw/zinc/35/73/37/557357337.db2.gz FGCQVGRLICWNAI-UHFFFAOYSA-N 1 1 445.585 2.586 40 0 IFABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000049835872 557389379 /nfs/dbraw/zinc/38/93/79/557389379.db2.gz RESSSVYMVVHWDL-XLAORIBOSA-N 1 1 427.382 2.706 40 0 IFABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000049835872 557389380 /nfs/dbraw/zinc/38/93/80/557389380.db2.gz RESSSVYMVVHWDL-XLAORIBOSA-N 1 1 427.382 2.706 40 0 IFABMO Cn1c2ccc(S(=O)(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)cc2oc1=O ZINC000223031013 557418131 /nfs/dbraw/zinc/41/81/31/557418131.db2.gz LJBLOSSPHAGLHR-UHFFFAOYSA-N 1 1 432.889 2.724 40 0 IFABMO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000224710469 557643154 /nfs/dbraw/zinc/64/31/54/557643154.db2.gz SLLTUSSKRQTOOV-UHFFFAOYSA-N 1 1 447.626 2.594 40 0 IFABMO O=S(=O)(Cc1cccc(Br)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224752217 557647741 /nfs/dbraw/zinc/64/77/41/557647741.db2.gz BKAXGYDJHPFUKN-UHFFFAOYSA-N 1 1 439.375 2.901 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000224899190 557664547 /nfs/dbraw/zinc/66/45/47/557664547.db2.gz PZDIPHSIBHYCGJ-MRXNPFEDSA-N 1 1 442.541 2.660 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225489175 557729045 /nfs/dbraw/zinc/72/90/45/557729045.db2.gz YXGBZYHQWMEZAB-HXUWFJFHSA-N 1 1 439.597 2.997 40 0 IFABMO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](Cc3cccc(OCCn4ccnc4)c3)C2)c1 ZINC000585274657 568618543 /nfs/dbraw/zinc/61/85/43/568618543.db2.gz LVCSYFRWUFLLSM-VWLOTQADSA-N 1 1 437.540 2.913 40 0 IFABMO Cc1cccc(OC[C@]2(O)COCC[N@@H+](Cc3cccc(OCCn4cccn4)c3)C2)c1 ZINC000585274788 568619057 /nfs/dbraw/zinc/61/90/57/568619057.db2.gz NVSBSVCCVLQXMR-RUZDIDTESA-N 1 1 437.540 2.913 40 0 IFABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCOC[C@@](O)(COc4ccccc4C)C3)CC2)c1 ZINC000585287817 568619464 /nfs/dbraw/zinc/61/94/64/568619464.db2.gz SMWBXZCVIPLJGA-AREMUKBSSA-N 1 1 440.584 2.777 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000260903584 568628783 /nfs/dbraw/zinc/62/87/83/568628783.db2.gz PMJBOHVPXLVSNJ-ICSRJNTNSA-N 1 1 439.597 2.997 40 0 IFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccc(CNC(=O)C(C)C)cc2)cc1 ZINC000257202162 568666143 /nfs/dbraw/zinc/66/61/43/568666143.db2.gz AKSVWSCHJCFCPY-ZEQRLZLVSA-N 1 1 437.584 2.972 40 0 IFABMO Cc1nc([C@H]2CC[N@H+](CC(=O)N3CCCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257236651 568682237 /nfs/dbraw/zinc/68/22/37/568682237.db2.gz HDCDLTFSTJBZAV-IBGZPJMESA-N 1 1 427.593 2.912 40 0 IFABMO Cc1nc([C@H]2CC[N@@H+](CC(=O)N3CCCCC3)C2)nc2c1CCC(=O)N2CCC(C)C ZINC000257236651 568682238 /nfs/dbraw/zinc/68/22/38/568682238.db2.gz HDCDLTFSTJBZAV-IBGZPJMESA-N 1 1 427.593 2.912 40 0 IFABMO Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257242945 568685230 /nfs/dbraw/zinc/68/52/30/568685230.db2.gz IEVKZUDGKQOFAC-HTDNTCHWSA-N 1 1 433.508 2.721 40 0 IFABMO Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257242945 568685232 /nfs/dbraw/zinc/68/52/32/568685232.db2.gz IEVKZUDGKQOFAC-HTDNTCHWSA-N 1 1 433.508 2.721 40 0 IFABMO Cc1[nH+]ccn1CCCC(=O)N1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257259077 568692730 /nfs/dbraw/zinc/69/27/30/568692730.db2.gz KWTFSVFKAXJNNS-QFIPXVFZSA-N 1 1 433.512 2.733 40 0 IFABMO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257281690 568702807 /nfs/dbraw/zinc/70/28/07/568702807.db2.gz OQNCWPQEXFDATN-XMMPIXPASA-N 1 1 442.563 2.564 40 0 IFABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000257281690 568702810 /nfs/dbraw/zinc/70/28/10/568702810.db2.gz OQNCWPQEXFDATN-XMMPIXPASA-N 1 1 442.563 2.564 40 0 IFABMO CC(=O)N[C@]12C[N@H+](C)[C@H](c3ccccc3)[C@H]1CN(S(=O)(=O)Cc1ccccc1F)CC2 ZINC000257288161 568705840 /nfs/dbraw/zinc/70/58/40/568705840.db2.gz PTCXCXNYECDOIW-YMPZKCBVSA-N 1 1 445.560 2.539 40 0 IFABMO CCOc1ccc(C[N@H+]2CC[C@@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1CO ZINC000257337497 568727680 /nfs/dbraw/zinc/72/76/80/568727680.db2.gz YTAKEFLCTOMHRK-GOSISDBHSA-N 1 1 436.560 2.824 40 0 IFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNC(=O)C3CC3)c2)cc1 ZINC000257340598 568728790 /nfs/dbraw/zinc/72/87/90/568728790.db2.gz ZGVYYJIHQAGWEO-DNQXCXABSA-N 1 1 435.568 2.726 40 0 IFABMO COc1ncccc1C[N@H+]1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccccc1)C2=O ZINC000306130717 568766307 /nfs/dbraw/zinc/76/63/07/568766307.db2.gz JNPHDWDPXPAZBL-ZEQKJWHPSA-N 1 1 444.535 2.882 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccccc3F)C2)O1 ZINC000306132944 568767412 /nfs/dbraw/zinc/76/74/12/568767412.db2.gz LXHSGFLWAYNZQF-GGAORHGYSA-N 1 1 448.560 2.695 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@]2(COCC[N@H+](Cc3ccccc3F)C2)O1 ZINC000306132944 568767413 /nfs/dbraw/zinc/76/74/13/568767413.db2.gz LXHSGFLWAYNZQF-GGAORHGYSA-N 1 1 448.560 2.695 40 0 IFABMO Cc1cc(C)cc(C[N@H+]2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)c1 ZINC000306137658 568770130 /nfs/dbraw/zinc/77/01/30/568770130.db2.gz RCNNHPLIVUBNEL-RUZDIDTESA-N 1 1 434.515 2.658 40 0 IFABMO O=S1(=O)c2ccccc2O[C@]2(CC[N@H+](Cc3ccncc3)C2)CN1Cc1ccccn1 ZINC000306137479 568770192 /nfs/dbraw/zinc/77/01/92/568770192.db2.gz QXMBFZZCKZVOHN-QHCPKHFHSA-N 1 1 436.537 2.705 40 0 IFABMO O=S1(=O)c2ccccc2O[C@]2(CC[N@@H+](Cc3ccncc3)C2)CN1Cc1ccccn1 ZINC000306137479 568770194 /nfs/dbraw/zinc/77/01/94/568770194.db2.gz QXMBFZZCKZVOHN-QHCPKHFHSA-N 1 1 436.537 2.705 40 0 IFABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4cccnc4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306137798 568770197 /nfs/dbraw/zinc/77/01/97/568770197.db2.gz RGQIHTFQPWTALQ-AHWVRZQESA-N 1 1 444.535 2.882 40 0 IFABMO COc1ccc(CN2CCO[C@@]3(C[N@@H+](Cc4cccnc4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306137799 568770216 /nfs/dbraw/zinc/77/02/16/568770216.db2.gz RGQIHTFQPWTALQ-AOYPEHQESA-N 1 1 444.535 2.882 40 0 IFABMO CC(=O)N(C)c1ncc(-c2nc(C(=O)N3CC[NH+](C(C)C)CC3)c3ccccn32)s1 ZINC000306138989 568770971 /nfs/dbraw/zinc/77/09/71/568770971.db2.gz SMLYMVFLLXVDCN-UHFFFAOYSA-N 1 1 426.546 2.607 40 0 IFABMO COc1ccc(CN2CC[C@@H](NS(C)(=O)=O)[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143116 568773166 /nfs/dbraw/zinc/77/31/66/568773166.db2.gz XTOYAZDHDAFPOQ-FGZHOGPDSA-N 1 1 449.642 2.773 40 0 IFABMO COc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)[C@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143116 568773168 /nfs/dbraw/zinc/77/31/68/568773168.db2.gz XTOYAZDHDAFPOQ-FGZHOGPDSA-N 1 1 449.642 2.773 40 0 IFABMO COc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)[C@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143116 568773170 /nfs/dbraw/zinc/77/31/70/568773170.db2.gz XTOYAZDHDAFPOQ-FGZHOGPDSA-N 1 1 449.642 2.773 40 0 IFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000101341885 568782172 /nfs/dbraw/zinc/78/21/72/568782172.db2.gz ZPUIQBHQSAJUFT-BZDHPDOMSA-N 1 1 425.847 2.910 40 0 IFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000101341885 568782173 /nfs/dbraw/zinc/78/21/73/568782173.db2.gz ZPUIQBHQSAJUFT-BZDHPDOMSA-N 1 1 425.847 2.910 40 0 IFABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000247797111 569206158 /nfs/dbraw/zinc/20/61/58/569206158.db2.gz CZRQCSFQSMBRPC-PSHVLCQKSA-N 1 1 433.556 2.888 40 0 IFABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000247797111 569206159 /nfs/dbraw/zinc/20/61/59/569206159.db2.gz CZRQCSFQSMBRPC-PSHVLCQKSA-N 1 1 433.556 2.888 40 0 IFABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccncc2)C3)C1 ZINC000247951964 569206644 /nfs/dbraw/zinc/20/66/44/569206644.db2.gz SZOITKIURBBZOI-PSHVLCQKSA-N 1 1 433.556 2.888 40 0 IFABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccncc2)C3)C1 ZINC000247951964 569206646 /nfs/dbraw/zinc/20/66/46/569206646.db2.gz SZOITKIURBBZOI-PSHVLCQKSA-N 1 1 433.556 2.888 40 0 IFABMO Cc1cccc(N2CC[N@H+](C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@H]2C)c1 ZINC000248100668 569207000 /nfs/dbraw/zinc/20/70/00/569207000.db2.gz JJZWQJXLFLTGNE-DVECYGJZSA-N 1 1 443.613 2.951 40 0 IFABMO Cc1cccc(N2CC[N@H+](C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C[C@H]2C)c1 ZINC000248105491 569207146 /nfs/dbraw/zinc/20/71/46/569207146.db2.gz LHAIHZNXGFPJCX-IECBHUPTSA-N 1 1 443.613 2.950 40 0 IFABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219498 569224846 /nfs/dbraw/zinc/22/48/46/569224846.db2.gz ZQDBHTMQFGVKIS-GOSISDBHSA-N 1 1 437.544 2.964 40 0 IFABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000012219499 569224931 /nfs/dbraw/zinc/22/49/31/569224931.db2.gz ZQDBHTMQFGVKIS-SFHVURJKSA-N 1 1 437.544 2.964 40 0 IFABMO CN(C)c1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019587767 569227281 /nfs/dbraw/zinc/22/72/81/569227281.db2.gz ULLRGPLSFQEWMZ-UGKGYDQZSA-N 1 1 440.567 2.853 40 0 IFABMO CN(C)c1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019587767 569227282 /nfs/dbraw/zinc/22/72/82/569227282.db2.gz ULLRGPLSFQEWMZ-UGKGYDQZSA-N 1 1 440.567 2.853 40 0 IFABMO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)CC3(O)CCCCC3)C2)c1Cn1cc[nH+]c1C ZINC000019707659 569234464 /nfs/dbraw/zinc/23/44/64/569234464.db2.gz JIRGCJANAJYWPL-LJQANCHMSA-N 1 1 436.560 2.992 40 0 IFABMO CCC[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NC2CC2)C(=O)C1 ZINC000253409089 569265566 /nfs/dbraw/zinc/26/55/66/569265566.db2.gz ZLNCRKFSVGTKFQ-OPCATCLCSA-N 1 1 425.573 2.981 40 0 IFABMO CCC[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NC2CC2)C(=O)C1 ZINC000253409089 569265567 /nfs/dbraw/zinc/26/55/67/569265567.db2.gz ZLNCRKFSVGTKFQ-OPCATCLCSA-N 1 1 425.573 2.981 40 0 IFABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)NCc3ccccc3)CC2)cs1 ZINC000225466334 291344926 /nfs/dbraw/zinc/34/49/26/291344926.db2.gz KQAWVKXBGFMFHP-LJQANCHMSA-N 1 1 444.601 2.947 40 0 biogenic,in-vitro IFABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)NCc3ccccc3)CC2)cs1 ZINC000225466334 291344927 /nfs/dbraw/zinc/34/49/27/291344927.db2.gz KQAWVKXBGFMFHP-LJQANCHMSA-N 1 1 444.601 2.947 40 0 biogenic,in-vitro IFABMO O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCN(c2ccccn2)CC1)Nc1ccsc1 ZINC000020503902 291350025 /nfs/dbraw/zinc/35/00/25/291350025.db2.gz GOVXHNZQNSCERO-IRFCIJBXSA-N 1 1 440.617 2.797 40 0 biogenic,in-vitro IFABMO CCSc1ncc(C[NH+]2CCC(O)(Cn3nc(-c4cccs4)ccc3=O)CC2)cn1 ZINC000012276123 521788511 /nfs/dbraw/zinc/78/85/11/521788511.db2.gz AWVMBHQWFYRUQS-UHFFFAOYSA-N 1 1 443.598 2.901 40 0 IFABMO COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H]([NH+]3CCC(Cc4ccccc4)CC3)[C@H]2O)cc1 ZINC000020463761 524088395 /nfs/dbraw/zinc/08/83/95/524088395.db2.gz QWUGVXZCICOEDQ-LFEPYJTBSA-N 1 1 438.568 2.593 40 0 biogenic,in-vitro IFABMO O=C(NCCC[NH+]1CCOCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408575778 555926472 /nfs/dbraw/zinc/92/64/72/555926472.db2.gz RAEMRWPYYCCCGL-DEOSSOPVSA-N 1 1 439.581 2.913 40 0 IFABMO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000408597492 555965018 /nfs/dbraw/zinc/96/50/18/555965018.db2.gz WZQRGEQHZZSDTP-UHFFFAOYSA-N 1 1 437.949 2.602 40 0 IFABMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](CC)CC2)C2CCCCC2)cc1 ZINC000408636674 556019635 /nfs/dbraw/zinc/01/96/35/556019635.db2.gz SNZQLRZVQOYCDR-UHFFFAOYSA-N 1 1 437.606 2.573 40 0 IFABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC)[C@@H]1OC ZINC000005063187 556031029 /nfs/dbraw/zinc/03/10/29/556031029.db2.gz FPGCYQVKNKEGRQ-CISJTURVSA-N 1 1 428.529 2.935 40 0 IFABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC)[C@@H]1OC ZINC000005063187 556031034 /nfs/dbraw/zinc/03/10/34/556031034.db2.gz FPGCYQVKNKEGRQ-CISJTURVSA-N 1 1 428.529 2.935 40 0 IFABMO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030947427 556517575 /nfs/dbraw/zinc/51/75/75/556517575.db2.gz KEPBNTRFOSXBTO-LJQANCHMSA-N 1 1 445.560 2.877 40 0 IFABMO O=C(CCn1c2nn(C3CCCC3)cc2c(C(F)F)cc1=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000036621456 556530209 /nfs/dbraw/zinc/53/02/09/556530209.db2.gz YGAZCYVPNPJDSH-INIZCTEOSA-N 1 1 433.503 2.947 40 0 IFABMO Cc1ccc(C)c(N([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000013677258 556555083 /nfs/dbraw/zinc/55/50/83/556555083.db2.gz VTHCWGIRBHRZIG-HXUWFJFHSA-N 1 1 429.586 2.802 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038754274 556617003 /nfs/dbraw/zinc/61/70/03/556617003.db2.gz UFBDSCIHGKYOSQ-LPHOPBHVSA-N 1 1 443.997 2.638 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000038771386 556618870 /nfs/dbraw/zinc/61/88/70/556618870.db2.gz OTABUHNHNXCATI-SFHVURJKSA-N 1 1 444.582 2.959 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000044883269 556674504 /nfs/dbraw/zinc/67/45/04/556674504.db2.gz BIKSPIDNPCDJNJ-KRWDZBQOSA-N 1 1 426.542 2.960 40 0 IFABMO Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCC[N@H+]4C4CCOCC4)[nH]c(=O)c3C2)s1 ZINC000019217032 556712566 /nfs/dbraw/zinc/71/25/66/556712566.db2.gz ZJOWKEUYDVGASR-SFHVURJKSA-N 1 1 428.558 2.654 40 0 IFABMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C(N)=O)cc1NCc1cccnc1 ZINC000257303200 556717501 /nfs/dbraw/zinc/71/75/01/556717501.db2.gz SGEMXIMJNSIHRG-DEOSSOPVSA-N 1 1 443.551 2.814 40 0 IFABMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(N)=O)cc1NCc1cccnc1 ZINC000257303200 556717504 /nfs/dbraw/zinc/71/75/04/556717504.db2.gz SGEMXIMJNSIHRG-DEOSSOPVSA-N 1 1 443.551 2.814 40 0 IFABMO Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019237069 556721937 /nfs/dbraw/zinc/72/19/37/556721937.db2.gz JEGCUPFLLUQKCM-QHCPKHFHSA-N 1 1 443.551 2.938 40 0 IFABMO Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019237069 556721939 /nfs/dbraw/zinc/72/19/39/556721939.db2.gz JEGCUPFLLUQKCM-QHCPKHFHSA-N 1 1 443.551 2.938 40 0 IFABMO Cn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](CC2CCCCC2)CC3)cn1 ZINC000019290563 556730843 /nfs/dbraw/zinc/73/08/43/556730843.db2.gz SULQHMFMRVSDPP-NRFANRHFSA-N 1 1 438.576 2.809 40 0 IFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@@H]3CC[N@@H+](Cc4cccc(F)c4F)C3)nc2C1 ZINC000019292707 556732197 /nfs/dbraw/zinc/73/21/97/556732197.db2.gz LUQGAIBFTUWCJA-MRXNPFEDSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](Cc4cccc(F)c4F)C3)nc2C1 ZINC000019292707 556732199 /nfs/dbraw/zinc/73/21/99/556732199.db2.gz LUQGAIBFTUWCJA-MRXNPFEDSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(Cc1cc(F)ccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019293031 556732595 /nfs/dbraw/zinc/73/25/95/556732595.db2.gz NGFACGAYYDZZFI-OAHLLOKOSA-N 1 1 442.510 2.907 40 0 IFABMO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019339121 556739487 /nfs/dbraw/zinc/73/94/87/556739487.db2.gz LQRQWEXVYHHVOT-QGZVFWFLSA-N 1 1 435.553 2.805 40 0 IFABMO O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019400125 556752904 /nfs/dbraw/zinc/75/29/04/556752904.db2.gz UJYGDEHGLOCTPQ-NRFANRHFSA-N 1 1 430.512 2.898 40 0 IFABMO O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019400125 556752907 /nfs/dbraw/zinc/75/29/07/556752907.db2.gz UJYGDEHGLOCTPQ-NRFANRHFSA-N 1 1 430.512 2.898 40 0 IFABMO CCOC(=O)Cn1nnnc1C[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000000926235 556753250 /nfs/dbraw/zinc/75/32/50/556753250.db2.gz NXWPFOZTAXOCKZ-UHFFFAOYSA-N 1 1 438.532 2.721 40 0 IFABMO CCOC(=O)Cn1nnnc1C[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000000926235 556753254 /nfs/dbraw/zinc/75/32/54/556753254.db2.gz NXWPFOZTAXOCKZ-UHFFFAOYSA-N 1 1 438.532 2.721 40 0 IFABMO COc1cccc(C[N@@H+]2C[C@@H](c3c(F)cccc3F)[C@]3(C2)COCCC(=O)N3)c1OC ZINC000019568100 556808255 /nfs/dbraw/zinc/80/82/55/556808255.db2.gz VJJZCDXFIWERFT-HJPURHCSSA-N 1 1 432.467 2.857 40 0 IFABMO COc1cccc(C[N@H+]2C[C@@H](c3c(F)cccc3F)[C@]3(C2)COCCC(=O)N3)c1OC ZINC000019568100 556808257 /nfs/dbraw/zinc/80/82/57/556808257.db2.gz VJJZCDXFIWERFT-HJPURHCSSA-N 1 1 432.467 2.857 40 0 IFABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)c4ccccn4)C3)[nH]c(=O)c2C1 ZINC000019570606 556810715 /nfs/dbraw/zinc/81/07/15/556810715.db2.gz UFGZFMLEYUQMRY-SFHVURJKSA-N 1 1 445.523 2.774 40 0 IFABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCN(C(=O)c4ccncc4)C3)[nH]c(=O)c2C1 ZINC000019570618 556810804 /nfs/dbraw/zinc/81/08/04/556810804.db2.gz GMSDZPDVNXLKLA-IBGZPJMESA-N 1 1 445.523 2.774 40 0 IFABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@H]3CCN(C(=O)C4CCCC4)C3)nc2C1 ZINC000019570673 556810868 /nfs/dbraw/zinc/81/08/68/556810868.db2.gz UMFLOZBOMYLQFP-IBGZPJMESA-N 1 1 436.556 2.843 40 0 IFABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@H]3CCN(C(=O)C4CCCC4)C3)nc2C1 ZINC000019570673 556810871 /nfs/dbraw/zinc/81/08/71/556810871.db2.gz UMFLOZBOMYLQFP-IBGZPJMESA-N 1 1 436.556 2.843 40 0 IFABMO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1cccnc1)C2 ZINC000019695624 556852088 /nfs/dbraw/zinc/85/20/88/556852088.db2.gz NQNKJRVDHGLXGP-NRFANRHFSA-N 1 1 432.503 2.894 40 0 IFABMO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1cccnc1)C2 ZINC000019695624 556852090 /nfs/dbraw/zinc/85/20/90/556852090.db2.gz NQNKJRVDHGLXGP-NRFANRHFSA-N 1 1 432.503 2.894 40 0 IFABMO CN(Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(N)=O)cc1)C(=O)CCOc1ccc(Cl)cc1 ZINC000019698755 556857753 /nfs/dbraw/zinc/85/77/53/556857753.db2.gz POYHDJIJUIPFRP-RTWAWAEBSA-N 1 1 429.948 2.898 40 0 IFABMO COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)C[N@H+]1CCCC[C@H]1C)C2 ZINC000019701079 556860902 /nfs/dbraw/zinc/86/09/02/556860902.db2.gz BHWIDXPIKYQXEF-MRXNPFEDSA-N 1 1 437.544 2.684 40 0 IFABMO CNc1nc([C@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708567 556869507 /nfs/dbraw/zinc/86/95/07/556869507.db2.gz NOSPBMMRMZVIJP-KRWDZBQOSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc([C@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708567 556869511 /nfs/dbraw/zinc/86/95/11/556869511.db2.gz NOSPBMMRMZVIJP-KRWDZBQOSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc([C@H]2CCCN(C(=O)CCN(C)c3ccccc3F)C2)nc2c1CC[N@H+](C)C2 ZINC000019708537 556869623 /nfs/dbraw/zinc/86/96/23/556869623.db2.gz GSNFHFRTDZYWFC-KRWDZBQOSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc([C@H]2CCCN(C(=O)CCN(C)c3ccccc3F)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708537 556869625 /nfs/dbraw/zinc/86/96/25/556869625.db2.gz GSNFHFRTDZYWFC-KRWDZBQOSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000019708844 556870457 /nfs/dbraw/zinc/87/04/57/556870457.db2.gz NKBADUOTELVJMJ-CQSZACIVSA-N 1 1 435.981 2.728 40 0 IFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CCN(C)c1cccc(F)c1)CC2 ZINC000019710241 556872204 /nfs/dbraw/zinc/87/22/04/556872204.db2.gz XXQZNDICBYPRPL-KRWDZBQOSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccccc1Cl)CC2 ZINC000019710316 556872489 /nfs/dbraw/zinc/87/24/89/556872489.db2.gz PLQOEQOIIMXPMJ-AWEZNQCLSA-N 1 1 435.981 2.728 40 0 IFABMO Cc1nc(C2CC[NH+](CC(=O)N3CCC3)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019739344 556877458 /nfs/dbraw/zinc/87/74/58/556877458.db2.gz ZJSBYRCAASUNQP-UHFFFAOYSA-N 1 1 447.583 2.719 40 0 IFABMO Cc1nc(C2CCN(C(=O)C[N@H+](C)Cc3ccc(F)cc3)CC2)nc2c1CCC(=O)N2C ZINC000019739315 556877507 /nfs/dbraw/zinc/87/75/07/556877507.db2.gz IXWLKUJHMUOINY-UHFFFAOYSA-N 1 1 439.535 2.671 40 0 IFABMO Cc1nc(C2CCN(C(=O)C[N@@H+](C)Cc3ccc(F)cc3)CC2)nc2c1CCC(=O)N2C ZINC000019739315 556877510 /nfs/dbraw/zinc/87/75/10/556877510.db2.gz IXWLKUJHMUOINY-UHFFFAOYSA-N 1 1 439.535 2.671 40 0 IFABMO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741293 556883081 /nfs/dbraw/zinc/88/30/81/556883081.db2.gz PCJZJOSVSNVXDR-GOSISDBHSA-N 1 1 439.535 2.671 40 0 IFABMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741293 556883083 /nfs/dbraw/zinc/88/30/83/556883083.db2.gz PCJZJOSVSNVXDR-GOSISDBHSA-N 1 1 439.535 2.671 40 0 IFABMO COCCn1c(=O)n(C)c(=O)c2ccc([C@@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)nc21 ZINC000019743042 556887083 /nfs/dbraw/zinc/88/70/83/556887083.db2.gz WIYJUEDCYJEKPH-QGZVFWFLSA-N 1 1 442.947 2.775 40 0 IFABMO CNC(=O)c1cn(C)nc1CC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000019756624 556900383 /nfs/dbraw/zinc/90/03/83/556900383.db2.gz HOHGIERECVHXMB-HXUWFJFHSA-N 1 1 431.968 2.517 40 0 IFABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)c4cccnc4)C3)nc3ccccc32)CC1 ZINC000019759221 556902955 /nfs/dbraw/zinc/90/29/55/556902955.db2.gz OJBGLCDFAUQEEF-LJQANCHMSA-N 1 1 429.524 2.647 40 0 IFABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)c4ccncc4)C3)nc3ccccc32)CC1 ZINC000019759181 556902966 /nfs/dbraw/zinc/90/29/66/556902966.db2.gz OGCRPYFTWCCKJB-IBGZPJMESA-N 1 1 429.524 2.647 40 0 IFABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CN(C(=O)C4CCCC4)CCO3)nc3ccccc32)CC1 ZINC000019759552 556903215 /nfs/dbraw/zinc/90/32/15/556903215.db2.gz BJLNGQVQYSQSNP-HSZRJFAPSA-N 1 1 436.556 2.713 40 0 IFABMO Cc1nc([C@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)N1CCOCC1 ZINC000019764031 556908537 /nfs/dbraw/zinc/90/85/37/556908537.db2.gz YEYKVRKZMYQJBN-SFHVURJKSA-N 1 1 428.508 2.655 40 0 IFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1 ZINC000072335571 556908607 /nfs/dbraw/zinc/90/86/07/556908607.db2.gz QNUMIIOHSBFBEM-ULQDDVLXSA-N 1 1 440.544 2.761 40 0 IFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@@H](C)C3)nc2C1 ZINC000257293014 556999540 /nfs/dbraw/zinc/99/95/40/556999540.db2.gz QNUMIIOHSBFBEM-ZACQAIPSSA-N 1 1 440.544 2.761 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000020244350 557002269 /nfs/dbraw/zinc/00/22/69/557002269.db2.gz XXICGDFEVXNDLZ-FQEVSTJZSA-N 1 1 438.638 2.687 40 0 IFABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](C[N@H+](C)[C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000585104184 557036759 /nfs/dbraw/zinc/03/67/59/557036759.db2.gz MIKLMFKJMZNMBH-NJDAHSKKSA-N 1 1 436.618 2.790 40 0 IFABMO CN(C)c1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000585106323 557039947 /nfs/dbraw/zinc/03/99/47/557039947.db2.gz UHTIXZMWPLVOHX-PKTZIBPZSA-N 1 1 432.568 2.605 40 0 IFABMO COc1ncc(C[N@H+]2C[C@@H](C(=O)NCc3cc(F)cc(F)c3)C[C@H]3OCC[C@H]32)cc1C ZINC000585108725 557044302 /nfs/dbraw/zinc/04/43/02/557044302.db2.gz LNHHIGOJBWODGN-IOMROCGXSA-N 1 1 431.483 2.973 40 0 IFABMO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005427 557132910 /nfs/dbraw/zinc/13/29/10/557132910.db2.gz GTGKNHKBYGEVRG-HXUWFJFHSA-N 1 1 445.560 2.571 40 0 IFABMO COc1ccc(C)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(C)(=O)=O ZINC000216420431 557145571 /nfs/dbraw/zinc/14/55/71/557145571.db2.gz PJQCOSQKJBDJJN-UHFFFAOYSA-N 1 1 442.541 2.580 40 0 IFABMO Cc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096083085 557168570 /nfs/dbraw/zinc/16/85/70/557168570.db2.gz OWJLIACUIRMBPD-BVAGGSTKSA-N 1 1 449.599 2.609 40 0 IFABMO Cc1ccccc1C[N@@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096145915 557176017 /nfs/dbraw/zinc/17/60/17/557176017.db2.gz BNNYFCNWSCUUCD-VXKWHMMOSA-N 1 1 443.613 2.973 40 0 IFABMO Cc1ccccc1C[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 ZINC000096145915 557176022 /nfs/dbraw/zinc/17/60/22/557176022.db2.gz BNNYFCNWSCUUCD-VXKWHMMOSA-N 1 1 443.613 2.973 40 0 IFABMO O=C1C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1Br ZINC000096308955 557197400 /nfs/dbraw/zinc/19/74/00/557197400.db2.gz SAIYIUOOIZJUHC-IBGZPJMESA-N 1 1 428.330 2.899 40 0 IFABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)Cc1cccnc1 ZINC000585262436 557201910 /nfs/dbraw/zinc/20/19/10/557201910.db2.gz GGLATFIDJQOSNI-OSNGURLVSA-N 1 1 449.526 2.961 40 0 IFABMO CN(C)c1ncncc1N1CC[C@](O)(C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000585269590 557213051 /nfs/dbraw/zinc/21/30/51/557213051.db2.gz AEIBEZOKWZTFCX-VWLOTQADSA-N 1 1 448.571 2.590 40 0 IFABMO O=C(C[NH+]1CCC(O)(COc2cccc(Cl)c2)CC1)NCc1ccc2c(c1)OCO2 ZINC000585272475 557217338 /nfs/dbraw/zinc/21/73/38/557217338.db2.gz JAMRZCAECFANEE-UHFFFAOYSA-N 1 1 432.904 2.591 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281832 557220141 /nfs/dbraw/zinc/22/01/41/557220141.db2.gz BXLMZLNYDUITRN-HSZRJFAPSA-N 1 1 440.531 2.834 40 0 IFABMO Cc1cc(OC[C@@]2(O)CCC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)cc(C)c1Cl ZINC000585282083 557221187 /nfs/dbraw/zinc/22/11/87/557221187.db2.gz XNGGMZSGOXPHES-HXUWFJFHSA-N 1 1 430.998 2.587 40 0 IFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCOC[C@@](O)(COc4cccc(F)c4)C3)CC2)cc1 ZINC000585284880 557224559 /nfs/dbraw/zinc/22/45/59/557224559.db2.gz ADAFHQAHTPXTRL-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO CCOCCCNC(=O)C[N@@H+]1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000057743949 557258219 /nfs/dbraw/zinc/25/82/19/557258219.db2.gz GTYSEBNXUVPXJP-GOSISDBHSA-N 1 1 440.548 2.723 40 0 IFABMO CCOCCCNC(=O)C[N@H+]1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000057743949 557258222 /nfs/dbraw/zinc/25/82/22/557258222.db2.gz GTYSEBNXUVPXJP-GOSISDBHSA-N 1 1 440.548 2.723 40 0 IFABMO COCC[NH+]1CCN(c2c(C)c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn32)CC1 ZINC000057710143 557258824 /nfs/dbraw/zinc/25/88/24/557258824.db2.gz AUPXNUYDAOAJNK-UHFFFAOYSA-N 1 1 425.533 2.799 40 0 IFABMO COc1ccc(C)cc1N([C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000220334610 557291877 /nfs/dbraw/zinc/29/18/77/557291877.db2.gz NVXMPDYSQICZSE-LJQANCHMSA-N 1 1 445.585 2.503 40 0 IFABMO CC(C)CCN1[C@H]2CC[N@H+](Cc3cnn(C)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000107184640 557336044 /nfs/dbraw/zinc/33/60/44/557336044.db2.gz KXRVNKVIJBVJHY-PMACEKPBSA-N 1 1 432.590 2.883 40 0 IFABMO CC(C)CCN1[C@H]2CC[N@@H+](Cc3cnn(C)c3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000107184640 557336046 /nfs/dbraw/zinc/33/60/46/557336046.db2.gz KXRVNKVIJBVJHY-PMACEKPBSA-N 1 1 432.590 2.883 40 0 IFABMO COC(=O)C1=C(C[NH2+]Cc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000013566249 557344160 /nfs/dbraw/zinc/34/41/60/557344160.db2.gz DFJFGBMRFCNVAM-FQEVSTJZSA-N 1 1 445.903 2.928 40 0 IFABMO COc1ccccc1N(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000222579783 557355391 /nfs/dbraw/zinc/35/53/91/557355391.db2.gz YJQKVXFRKIUAHB-UHFFFAOYSA-N 1 1 445.585 2.586 40 0 IFABMO CCc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000025767212 557419535 /nfs/dbraw/zinc/41/95/35/557419535.db2.gz HMADPAHZRWWEHW-UHFFFAOYSA-N 1 1 445.585 2.535 40 0 IFABMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223081593 557427991 /nfs/dbraw/zinc/42/79/91/557427991.db2.gz OOZCHNHJCYAEQH-UHFFFAOYSA-N 1 1 425.504 2.871 40 0 IFABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000019824695 557508531 /nfs/dbraw/zinc/50/85/31/557508531.db2.gz FAXJCNVNVLBQBR-UHFFFAOYSA-N 1 1 446.617 2.592 40 0 IFABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)cc12 ZINC000019940887 557510441 /nfs/dbraw/zinc/51/04/41/557510441.db2.gz SLBFFSWPQDGFDN-HSZRJFAPSA-N 1 1 443.555 2.517 40 0 IFABMO CCC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000020142061 557516001 /nfs/dbraw/zinc/51/60/01/557516001.db2.gz YIDPPNHCSHWKCF-OAQYLSRUSA-N 1 1 446.621 2.814 40 0 IFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224384380 557599938 /nfs/dbraw/zinc/59/99/38/557599938.db2.gz OMVUAMPQIYYLEU-UHFFFAOYSA-N 1 1 427.570 2.795 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224411640 557603617 /nfs/dbraw/zinc/60/36/17/557603617.db2.gz ODRGFYWONJJCSK-CQSZACIVSA-N 1 1 448.495 2.930 40 0 IFABMO CCN(Cc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224466333 557609244 /nfs/dbraw/zinc/60/92/44/557609244.db2.gz YIMNFIQMIZBSNT-UHFFFAOYSA-N 1 1 445.585 2.684 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224998100 557675625 /nfs/dbraw/zinc/67/56/25/557675625.db2.gz IEHKNFKFLQSNER-UHFFFAOYSA-N 1 1 432.933 2.771 40 0 IFABMO C[NH+]1CCN(C(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000225865054 557786889 /nfs/dbraw/zinc/78/68/89/557786889.db2.gz HQTHRYRXOASITJ-UHFFFAOYSA-N 1 1 433.961 2.869 40 0 IFABMO CS(=O)(=O)N(CC(=O)NCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1ccccc1 ZINC000226035078 557801939 /nfs/dbraw/zinc/80/19/39/557801939.db2.gz JTIZFAYTOZXSEI-UHFFFAOYSA-N 1 1 446.960 2.878 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000260805381 557857812 /nfs/dbraw/zinc/85/78/12/557857812.db2.gz BZFOWUFVBAGHIG-KRWDZBQOSA-N 1 1 427.636 2.800 40 0 IFABMO CC(=O)N1CCC([N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CC1 ZINC000015674230 560230947 /nfs/dbraw/zinc/23/09/47/560230947.db2.gz XNULQNFOMPHICH-WBVHZDCISA-N 1 1 440.422 2.754 40 0 biogenic,in-vitro IFABMO CC(=O)N1CCC([N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CC1 ZINC000015674230 560230948 /nfs/dbraw/zinc/23/09/48/560230948.db2.gz XNULQNFOMPHICH-WBVHZDCISA-N 1 1 440.422 2.754 40 0 biogenic,in-vitro IFABMO CCOc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000585269800 568616729 /nfs/dbraw/zinc/61/67/29/568616729.db2.gz KGFMNFTWSVGJSI-OAQYLSRUSA-N 1 1 442.556 2.958 40 0 IFABMO COc1cc(C[N@@H+](C)C[C@@H](O)COC2CCCCC2)ccc1OCCN1CCOCC1 ZINC000585271010 568617517 /nfs/dbraw/zinc/61/75/17/568617517.db2.gz CVODPZJTSPBKKR-OAQYLSRUSA-N 1 1 436.593 2.548 40 0 IFABMO Cc1cccc(OC[C@]2(O)COCC[N@@H+](Cc3cccc(OCCn4ccnc4)c3)C2)c1 ZINC000585274652 568618415 /nfs/dbraw/zinc/61/84/15/568618415.db2.gz LVCSYFRWUFLLSM-RUZDIDTESA-N 1 1 437.540 2.913 40 0 IFABMO O[C@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585274778 568618507 /nfs/dbraw/zinc/61/85/07/568618507.db2.gz NSMVFLMZRBQUPC-DEOSSOPVSA-N 1 1 441.503 2.744 40 0 IFABMO O[C@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585274778 568618511 /nfs/dbraw/zinc/61/85/11/568618511.db2.gz NSMVFLMZRBQUPC-DEOSSOPVSA-N 1 1 441.503 2.744 40 0 IFABMO Cc1ccccc1N1CCC(O)(C[N@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585285923 568619067 /nfs/dbraw/zinc/61/90/67/568619067.db2.gz FFGVLQNQJHQNGL-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO CCCn1c2ccc(NC(=O)C[N@@H+]3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)cc2oc1=O ZINC000257232504 568679859 /nfs/dbraw/zinc/67/98/59/568679859.db2.gz GLCWTTKCCXBHKM-MBOZVWFJSA-N 1 1 435.528 2.934 40 0 IFABMO COc1cccc(C[N@H+](C)CC(=O)N2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c1 ZINC000257260603 568693308 /nfs/dbraw/zinc/69/33/08/568693308.db2.gz LDNOHDVHHORLTC-JOCHJYFZSA-N 1 1 448.527 2.656 40 0 IFABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c1 ZINC000257260603 568693312 /nfs/dbraw/zinc/69/33/12/568693312.db2.gz LDNOHDVHHORLTC-JOCHJYFZSA-N 1 1 448.527 2.656 40 0 IFABMO COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC1(O)CCN(C(C)=O)CC1 ZINC000257267047 568696161 /nfs/dbraw/zinc/69/61/61/568696161.db2.gz MFSWPDJOMSWYSJ-FQEVSTJZSA-N 1 1 447.576 2.662 40 0 IFABMO COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC1(O)CCN(C(C)=O)CC1 ZINC000257267047 568696163 /nfs/dbraw/zinc/69/61/63/568696163.db2.gz MFSWPDJOMSWYSJ-FQEVSTJZSA-N 1 1 447.576 2.662 40 0 IFABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2CC(=O)Nc2cn(C)nc2C)c1 ZINC000257314647 568717374 /nfs/dbraw/zinc/71/73/74/568717374.db2.gz UXWUHLSKZKLFIU-HFMPRLQTSA-N 1 1 439.560 2.940 40 0 IFABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2CC(=O)Nc2cn(C)nc2C)c1 ZINC000257314647 568717376 /nfs/dbraw/zinc/71/73/76/568717376.db2.gz UXWUHLSKZKLFIU-HFMPRLQTSA-N 1 1 439.560 2.940 40 0 IFABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2CCCC[C@@H]3N(C(C)=O)CCC[C@@]32C)c1 ZINC000257325406 568722490 /nfs/dbraw/zinc/72/24/90/568722490.db2.gz WSUPGZRCTPOORE-GMAHTHKFSA-N 1 1 430.549 2.848 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000257338687 568728050 /nfs/dbraw/zinc/72/80/50/568728050.db2.gz YYNCLODWVTTXSI-NGSHPTGOSA-N 1 1 429.520 2.819 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000257338687 568728051 /nfs/dbraw/zinc/72/80/51/568728051.db2.gz YYNCLODWVTTXSI-NGSHPTGOSA-N 1 1 429.520 2.819 40 0 IFABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000257342692 568729606 /nfs/dbraw/zinc/72/96/06/568729606.db2.gz ZPTILZPWKJJDBQ-RUZDIDTESA-N 1 1 435.572 2.790 40 0 IFABMO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000257342692 568729607 /nfs/dbraw/zinc/72/96/07/568729607.db2.gz ZPTILZPWKJJDBQ-RUZDIDTESA-N 1 1 435.572 2.790 40 0 IFABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000257342693 568729631 /nfs/dbraw/zinc/72/96/31/568729631.db2.gz ZPTILZPWKJJDBQ-VWLOTQADSA-N 1 1 435.572 2.790 40 0 IFABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000257342693 568729632 /nfs/dbraw/zinc/72/96/32/568729632.db2.gz ZPTILZPWKJJDBQ-VWLOTQADSA-N 1 1 435.572 2.790 40 0 IFABMO NCC1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000218238782 568740982 /nfs/dbraw/zinc/74/09/82/568740982.db2.gz DTWOKSAOLIYTED-HZPDHXFCSA-N 1 1 429.767 2.946 40 0 IFABMO NCC1(C[NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218238846 568741060 /nfs/dbraw/zinc/74/10/60/568741060.db2.gz DTWOKSAOLIYTED-JKSUJKDBSA-N 1 1 429.767 2.946 40 0 IFABMO c1c([C@H]2C[N@@H+](Cc3ccccn3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306128087 568764976 /nfs/dbraw/zinc/76/49/76/568764976.db2.gz GPUGOCUXLDLCFV-HSZRJFAPSA-N 1 1 432.572 2.835 40 0 IFABMO c1c([C@H]2C[N@H+](Cc3ccccn3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306128087 568764977 /nfs/dbraw/zinc/76/49/77/568764977.db2.gz GPUGOCUXLDLCFV-HSZRJFAPSA-N 1 1 432.572 2.835 40 0 IFABMO COc1ncccc1C[N@H+]1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccccc1)C2=O ZINC000306130714 568766083 /nfs/dbraw/zinc/76/60/83/568766083.db2.gz JNPHDWDPXPAZBL-BVAGGSTKSA-N 1 1 444.535 2.882 40 0 IFABMO COc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 ZINC000306133231 568767602 /nfs/dbraw/zinc/76/76/02/568767602.db2.gz MGBCMGLUDXOWNN-AOYPEHQESA-N 1 1 444.535 2.882 40 0 IFABMO O=C(NC[C@H]1CC[C@@]2(COCC[N@H+](Cc3c[nH]c4ccc(F)cc34)C2)O1)c1cccnc1 ZINC000306138341 568770542 /nfs/dbraw/zinc/77/05/42/568770542.db2.gz RVFKEFGKCGWNJA-HYBUGGRVSA-N 1 1 438.503 2.882 40 0 IFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)s1 ZINC000306142521 568772622 /nfs/dbraw/zinc/77/26/22/568772622.db2.gz XBROGZWMQVUKDS-JOCHJYFZSA-N 1 1 430.574 2.530 40 0 IFABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000000930089 568858920 /nfs/dbraw/zinc/85/89/20/568858920.db2.gz LTTLHZSHVOGAMK-UGKGYDQZSA-N 1 1 433.560 2.808 40 0 IFABMO O=S1(=O)CC[C@H]([N@H+](CCCN2CCOCC2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420713 568863542 /nfs/dbraw/zinc/86/35/42/568863542.db2.gz JJSCOILBODBNHZ-QHCPKHFHSA-N 1 1 428.598 2.987 40 0 IFABMO O=S1(=O)CC[C@H]([N@@H+](CCCN2CCOCC2)C(c2ccccc2)c2ccccc2)C1 ZINC000575420713 568863545 /nfs/dbraw/zinc/86/35/45/568863545.db2.gz JJSCOILBODBNHZ-QHCPKHFHSA-N 1 1 428.598 2.987 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 ZINC000253598481 569209043 /nfs/dbraw/zinc/20/90/43/569209043.db2.gz CCHYIZACWYYFQG-QZTJIDSGSA-N 1 1 428.558 2.953 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c(OC)c1 ZINC000012219512 569224809 /nfs/dbraw/zinc/22/48/09/569224809.db2.gz ALJRRBXMDIXKMA-LJQANCHMSA-N 1 1 437.544 2.964 40 0 IFABMO O=C([C@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019343669 569226305 /nfs/dbraw/zinc/22/63/05/569226305.db2.gz JXQVRBVMMRDDRI-RBUKOAKNSA-N 1 1 428.558 2.622 40 0 IFABMO O=C([C@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019343669 569226307 /nfs/dbraw/zinc/22/63/07/569226307.db2.gz JXQVRBVMMRDDRI-RBUKOAKNSA-N 1 1 428.558 2.622 40 0 IFABMO COc1ccc(CN2CCC(N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)CC2)cc1 ZINC000019701369 569231404 /nfs/dbraw/zinc/23/14/04/569231404.db2.gz NHFCKEDHVSNKLB-UHFFFAOYSA-N 1 1 428.577 2.702 40 0 IFABMO Cc1nn2c(nccc2[C@@H]2CN(C(=O)COc3ccccc3)CCO2)c1Cn1cc[nH+]c1C ZINC000019707592 569234405 /nfs/dbraw/zinc/23/44/05/569234405.db2.gz WKFBNQAUAOAVNM-QFIPXVFZSA-N 1 1 446.511 2.570 40 0 IFABMO Cc1nc([C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCC1 ZINC000019757577 569237050 /nfs/dbraw/zinc/23/70/50/569237050.db2.gz OJYXKHOECFOYIT-LJQANCHMSA-N 1 1 439.535 2.608 40 0 IFABMO Cc1nc([C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCC1 ZINC000019757577 569237051 /nfs/dbraw/zinc/23/70/51/569237051.db2.gz OJYXKHOECFOYIT-LJQANCHMSA-N 1 1 439.535 2.608 40 0 IFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)CC1 ZINC000108111305 569252408 /nfs/dbraw/zinc/25/24/08/569252408.db2.gz YCDNHCKDMDXBCR-UHFFFAOYSA-N 1 1 431.558 2.647 40 0 IFABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2=O ZINC000019699652 569327002 /nfs/dbraw/zinc/32/70/02/569327002.db2.gz WPBHDOYBMSLLAL-JOCHJYFZSA-N 1 1 446.551 2.878 40 0 IFABMO C[N@@H+]1CCN(C(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750691 569328395 /nfs/dbraw/zinc/32/83/95/569328395.db2.gz YYZMQKBXHHVNBV-QFIPXVFZSA-N 1 1 448.498 2.755 40 0 IFABMO C[N@H+]1CCN(C(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)[C@H](c2ccccc2)C1 ZINC000019750691 569328396 /nfs/dbraw/zinc/32/83/96/569328396.db2.gz YYZMQKBXHHVNBV-QFIPXVFZSA-N 1 1 448.498 2.755 40 0 IFABMO CC(C)c1ccccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000022388248 519844325 /nfs/dbraw/zinc/84/43/25/519844325.db2.gz ZALZGZRAGSALEC-UHFFFAOYSA-N 1 1 429.586 2.920 40 0 IFABMO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000035290692 521695801 /nfs/dbraw/zinc/69/58/01/521695801.db2.gz SUUHOQILMRJCAV-IBGZPJMESA-N 1 1 432.569 2.571 40 0 IFABMO COc1ccc(-c2cc(C(=O)N3CCC(O)(Cn4cc[nH+]c4C)CC3)no2)cc1OC ZINC000012143491 523093318 /nfs/dbraw/zinc/09/33/18/523093318.db2.gz AYBCNIABZHNOOY-UHFFFAOYSA-N 1 1 426.473 2.531 40 0 IFABMO Cc1cc(-c2cncnc2[C@@H]2CCC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 ZINC000012127931 526045575 /nfs/dbraw/zinc/04/55/75/526045575.db2.gz CEVMYXCDLXWVIQ-QGZVFWFLSA-N 1 1 435.484 2.665 40 0 IFABMO Cc1cc(-c2cncnc2[C@@H]2CCC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 ZINC000012127931 526045584 /nfs/dbraw/zinc/04/55/84/526045584.db2.gz CEVMYXCDLXWVIQ-QGZVFWFLSA-N 1 1 435.484 2.665 40 0 IFABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)CC1 ZINC000034895473 555549444 /nfs/dbraw/zinc/54/94/44/555549444.db2.gz AIPKKPGNGDUBBW-UHFFFAOYSA-N 1 1 431.558 2.647 40 0 IFABMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134065 555747024 /nfs/dbraw/zinc/74/70/24/555747024.db2.gz DKARJKOEVWXOJB-BBWFWOEESA-N 1 1 448.523 2.871 40 0 IFABMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134065 555747027 /nfs/dbraw/zinc/74/70/27/555747027.db2.gz DKARJKOEVWXOJB-BBWFWOEESA-N 1 1 448.523 2.871 40 0 IFABMO Cc1ccc(CN(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000014414125 556415536 /nfs/dbraw/zinc/41/55/36/556415536.db2.gz ZMQLNOKNEMNGLS-UHFFFAOYSA-N 1 1 443.613 2.885 40 0 IFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000029839101 556483803 /nfs/dbraw/zinc/48/38/03/556483803.db2.gz DFFGMVLTHCMIPP-UHFFFAOYSA-N 1 1 427.570 2.649 40 0 IFABMO O=C([C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000030947261 556517446 /nfs/dbraw/zinc/51/74/46/556517446.db2.gz NKFWBUHPIWAVML-FQEVSTJZSA-N 1 1 445.560 2.571 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000038771382 556619019 /nfs/dbraw/zinc/61/90/19/556619019.db2.gz OTABUHNHNXCATI-GOSISDBHSA-N 1 1 444.582 2.959 40 0 IFABMO Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(N2CC[NH+](CCO)CC2)n1 ZINC000019134574 556705739 /nfs/dbraw/zinc/70/57/39/556705739.db2.gz CKPSSRBRSUNCBF-UHFFFAOYSA-N 1 1 431.540 2.742 40 0 IFABMO Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)cc1 ZINC000019209600 556708440 /nfs/dbraw/zinc/70/84/40/556708440.db2.gz SZWTXHMMRZSUTI-HSZRJFAPSA-N 1 1 443.551 2.938 40 0 IFABMO Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)cc1 ZINC000019209600 556708443 /nfs/dbraw/zinc/70/84/43/556708443.db2.gz SZWTXHMMRZSUTI-HSZRJFAPSA-N 1 1 443.551 2.938 40 0 IFABMO Cc1ccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019210475 556708832 /nfs/dbraw/zinc/70/88/32/556708832.db2.gz YZYUJQVZJIJIEN-FQEVSTJZSA-N 1 1 430.574 2.512 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000260458051 556720780 /nfs/dbraw/zinc/72/07/80/556720780.db2.gz UFBDSCIHGKYOSQ-VQIMIIECSA-N 1 1 443.997 2.638 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 ZINC000019238671 556723780 /nfs/dbraw/zinc/72/37/80/556723780.db2.gz CCHYIZACWYYFQG-ROUUACIJSA-N 1 1 428.558 2.541 40 0 IFABMO Cc1cnc(C(=O)N2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019238829 556724472 /nfs/dbraw/zinc/72/44/72/556724472.db2.gz FNYHEDBPVFEEBU-LAUBAEHRSA-N 1 1 425.508 2.735 40 0 IFABMO Cc1nc2c(c(N3CCN(C(=O)c4ccncc4)CC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286218 556727654 /nfs/dbraw/zinc/72/76/54/556727654.db2.gz UDIAGKCRODZIPB-UHFFFAOYSA-N 1 1 428.540 2.701 40 0 IFABMO Cc1nc2c(c(N3CCN(C(=O)c4ccncc4)CC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286218 556727655 /nfs/dbraw/zinc/72/76/55/556727655.db2.gz UDIAGKCRODZIPB-UHFFFAOYSA-N 1 1 428.540 2.701 40 0 IFABMO COc1ccc(OC)c(C(=O)NC2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)c1 ZINC000019288990 556729103 /nfs/dbraw/zinc/72/91/03/556729103.db2.gz JYSSVBCVZHUKOQ-UHFFFAOYSA-N 1 1 435.528 2.894 40 0 IFABMO Cn1ccnc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019291151 556731137 /nfs/dbraw/zinc/73/11/37/556731137.db2.gz DUJKVMGBGUMIAH-HXUWFJFHSA-N 1 1 438.576 2.809 40 0 IFABMO O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339349 556739328 /nfs/dbraw/zinc/73/93/28/556739328.db2.gz VRBZQVJWRKMUGH-QFIPXVFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339349 556739331 /nfs/dbraw/zinc/73/93/31/556739331.db2.gz VRBZQVJWRKMUGH-QFIPXVFZSA-N 1 1 447.514 2.769 40 0 IFABMO COCCn1nnnc1C[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000057615888 556748088 /nfs/dbraw/zinc/74/80/88/556748088.db2.gz OHUCYLQEKYESGH-UHFFFAOYSA-N 1 1 426.521 2.505 40 0 IFABMO COCCn1nnnc1C[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 ZINC000057615888 556748093 /nfs/dbraw/zinc/74/80/93/556748093.db2.gz OHUCYLQEKYESGH-UHFFFAOYSA-N 1 1 426.521 2.505 40 0 IFABMO O=C(CCc1ccccc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019370767 556748006 /nfs/dbraw/zinc/74/80/06/556748006.db2.gz LDGROULUFJZLTB-QFIPXVFZSA-N 1 1 436.556 2.603 40 0 IFABMO O=C(CCc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019370770 556748187 /nfs/dbraw/zinc/74/81/87/556748187.db2.gz LDGROULUFJZLTB-JOCHJYFZSA-N 1 1 436.556 2.603 40 0 IFABMO CCOC(=O)Cn1nnnc1C[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000000925857 556752824 /nfs/dbraw/zinc/75/28/24/556752824.db2.gz VEJVCQCFPCTTQM-UHFFFAOYSA-N 1 1 438.532 2.721 40 0 IFABMO CCOC(=O)Cn1nnnc1C[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000000925857 556752828 /nfs/dbraw/zinc/75/28/28/556752828.db2.gz VEJVCQCFPCTTQM-UHFFFAOYSA-N 1 1 438.532 2.721 40 0 IFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448198 556757602 /nfs/dbraw/zinc/75/76/02/556757602.db2.gz BLEVLBKHQRNMQF-LJQANCHMSA-N 1 1 434.537 2.591 40 0 IFABMO Cc1nn(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c(C)c1C ZINC000019556494 556799008 /nfs/dbraw/zinc/79/90/08/556799008.db2.gz GCPCWQADSIUDMA-FQEVSTJZSA-N 1 1 426.565 2.824 40 0 IFABMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)nc3)C[C@]23CCCC(=O)N3)c1 ZINC000019566062 556806634 /nfs/dbraw/zinc/80/66/34/556806634.db2.gz OBBJMGNFGWTNFP-WIOPSUGQSA-N 1 1 436.556 2.565 40 0 IFABMO CNc1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019592379 556828565 /nfs/dbraw/zinc/82/85/65/556828565.db2.gz RWMPBYOBDQZTDK-GHTZIAJQSA-N 1 1 426.540 2.828 40 0 IFABMO CNc1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019592379 556828566 /nfs/dbraw/zinc/82/85/66/556828566.db2.gz RWMPBYOBDQZTDK-GHTZIAJQSA-N 1 1 426.540 2.828 40 0 IFABMO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1ccncc1)C2 ZINC000019695745 556852352 /nfs/dbraw/zinc/85/23/52/556852352.db2.gz WAZAXLFUAQBQLY-OAQYLSRUSA-N 1 1 432.503 2.894 40 0 IFABMO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1ccncc1)C2 ZINC000019695745 556852354 /nfs/dbraw/zinc/85/23/54/556852354.db2.gz WAZAXLFUAQBQLY-OAQYLSRUSA-N 1 1 432.503 2.894 40 0 IFABMO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@@H+](C)Cc3c[nH]nc3C(C)(C)C)cc2)C1 ZINC000019698765 556857729 /nfs/dbraw/zinc/85/77/29/556857729.db2.gz NTJVZVBIHFWGJB-YADHBBJMSA-N 1 1 439.604 2.989 40 0 IFABMO COc1ccc2c(cc(C(=O)N(C)Cc3ccc([C@H]4C[N@@H+](C)C[C@@H]4C(N)=O)cc3)n2C)c1 ZINC000019699188 556858319 /nfs/dbraw/zinc/85/83/19/556858319.db2.gz XZNODXBXONGUOU-RTWAWAEBSA-N 1 1 434.540 2.590 40 0 IFABMO CC(C)(C)C[N@H+]1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 ZINC000019699632 556859413 /nfs/dbraw/zinc/85/94/13/556859413.db2.gz QCVARVVXUXXMJF-LJQANCHMSA-N 1 1 426.561 2.724 40 0 IFABMO CNc1nc([C@@H]2CCCCN2C(=O)CCN2Cc3ccccc3C2=O)nc2c1CC[N@H+](C)C2 ZINC000019708641 556869630 /nfs/dbraw/zinc/86/96/30/556869630.db2.gz IHTBIFDERCHPET-NRFANRHFSA-N 1 1 448.571 2.606 40 0 IFABMO CNc1nc([C@@H]2CCCCN2C(=O)CCN2Cc3ccccc3C2=O)nc2c1CC[N@@H+](C)C2 ZINC000019708641 556869631 /nfs/dbraw/zinc/86/96/31/556869631.db2.gz IHTBIFDERCHPET-NRFANRHFSA-N 1 1 448.571 2.606 40 0 IFABMO COc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H](c3ccc4c(N)nc(C)nc4n3)C2)c1 ZINC000019743610 556888500 /nfs/dbraw/zinc/88/85/00/556888500.db2.gz BMJZQYNLFSBZNV-SFHVURJKSA-N 1 1 434.544 2.762 40 0 IFABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H](c3ccc4c(N)nc(C)nc4n3)C2)c1 ZINC000019743610 556888502 /nfs/dbraw/zinc/88/85/02/556888502.db2.gz BMJZQYNLFSBZNV-SFHVURJKSA-N 1 1 434.544 2.762 40 0 IFABMO O=C(N[C@@H]1Cc2ccc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)cc2C1)C1CCCC1 ZINC000019749594 556893930 /nfs/dbraw/zinc/89/39/30/556893930.db2.gz VIOJERBCKUZRKD-OAQYLSRUSA-N 1 1 445.629 2.709 40 0 IFABMO COc1ccc(C(=O)N2CCC(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cn1 ZINC000072344528 556914971 /nfs/dbraw/zinc/91/49/71/556914971.db2.gz YXTNAZOGTDRQHG-UHFFFAOYSA-N 1 1 436.556 2.677 40 0 IFABMO Cc1nc([C@@H]2CCCN2C(=O)CC[N@H+](C)Cc2ccccn2)ncc1C(=O)N1CCCC1 ZINC000072345433 556917029 /nfs/dbraw/zinc/91/70/29/556917029.db2.gz LAMKRLPNIPQFBJ-NRFANRHFSA-N 1 1 436.560 2.602 40 0 IFABMO COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C1)CCC2 ZINC000072392637 556963853 /nfs/dbraw/zinc/96/38/53/556963853.db2.gz CGMPZCUSZJJFQF-WPSZSDGUSA-N 1 1 425.529 2.721 40 0 IFABMO COc1ccc(CCC(=O)N2CCC[C@@]3(CCC[N@H+]3CC(=O)N(C)C)CC2)c(OC)c1 ZINC000585100093 557033794 /nfs/dbraw/zinc/03/37/94/557033794.db2.gz FQGKOVOTVWUQEH-XMMPIXPASA-N 1 1 431.577 2.572 40 0 IFABMO CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)cc1 ZINC000585103560 557035904 /nfs/dbraw/zinc/03/59/04/557035904.db2.gz HEPWPPWSMNEPJC-WXFUMESZSA-N 1 1 443.632 2.928 40 0 IFABMO Cc1snnc1C(=O)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC000585103065 557037180 /nfs/dbraw/zinc/03/71/80/557037180.db2.gz PKRWMUPTIACRJD-DENIHFKCSA-N 1 1 427.574 2.632 40 0 IFABMO O=C(Cc1ccccn1)NC[C@@H]1CC[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@H+]21 ZINC000585110221 557043499 /nfs/dbraw/zinc/04/34/99/557043499.db2.gz YGHMNTKMCVAUNJ-XZOQPEGZSA-N 1 1 441.535 2.829 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000409393444 557097564 /nfs/dbraw/zinc/09/75/64/557097564.db2.gz WQKUISFZTCDQJA-UHFFFAOYSA-N 1 1 445.585 2.671 40 0 IFABMO O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@@]6(CC[N@H+](Cc7ccccc7)CC[C@@]516)[C@@H]2[C@@H]43 ZINC000104287719 557142155 /nfs/dbraw/zinc/14/21/55/557142155.db2.gz CKKYAHQBURBLEC-JFRXSSJCSA-N 1 1 438.531 2.685 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4cccnc4)CC3)c3ccccc32)CC1 ZINC000096052952 557166373 /nfs/dbraw/zinc/16/63/73/557166373.db2.gz RJEFCJPQNFBNSH-NRFANRHFSA-N 1 1 432.568 2.907 40 0 IFABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(S(=O)(=O)c2cccs2)CC3)C1=O ZINC000096144347 557172161 /nfs/dbraw/zinc/17/21/61/557172161.db2.gz ZTZNEBWMFZVUQX-NRFANRHFSA-N 1 1 439.647 2.729 40 0 IFABMO O=C(NCC1CCOCC1)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096155938 557180515 /nfs/dbraw/zinc/18/05/15/557180515.db2.gz UAZMVZMSNXAMRW-UHFFFAOYSA-N 1 1 433.556 2.813 40 0 IFABMO CN(C)c1nc(N2CCC3(CC2)CN(C(=O)c2ccnnc2)Cc2ccccc23)cc[nH+]1 ZINC000096242644 557186654 /nfs/dbraw/zinc/18/66/54/557186654.db2.gz ISCINRHWACTSEZ-UHFFFAOYSA-N 1 1 429.528 2.527 40 0 IFABMO O=C(Nc1cccc(Cl)c1)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]12 ZINC000096262202 557189658 /nfs/dbraw/zinc/18/96/58/557189658.db2.gz PYPNTKGIJJUVAT-VQTJNVASSA-N 1 1 439.947 2.980 40 0 IFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000025015311 557189663 /nfs/dbraw/zinc/18/96/63/557189663.db2.gz PCJCJTGUULEXLT-JOCHJYFZSA-N 1 1 441.597 2.652 40 0 IFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(S(=O)(=O)c1ccccc1)CC3 ZINC000096262458 557189993 /nfs/dbraw/zinc/18/99/93/557189993.db2.gz IYUAJUGOBMPSCR-XUZZJYLKSA-N 1 1 445.629 2.812 40 0 IFABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)c(C)c1 ZINC000585274205 557218460 /nfs/dbraw/zinc/21/84/60/557218460.db2.gz UPCYHQTYSSHELV-QHCPKHFHSA-N 1 1 428.573 2.886 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281833 557220138 /nfs/dbraw/zinc/22/01/38/557220138.db2.gz BXLMZLNYDUITRN-QHCPKHFHSA-N 1 1 440.531 2.834 40 0 IFABMO Cc1cccc(OC[C@@]2(O)C[N@@H+](Cc3cccc(OCCn4cccn4)c3)CC[C@@H]2O)c1 ZINC000585281794 557220147 /nfs/dbraw/zinc/22/01/47/557220147.db2.gz RROIERABXSIJAK-DQEYMECFSA-N 1 1 437.540 2.647 40 0 IFABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000585282107 557221151 /nfs/dbraw/zinc/22/11/51/557221151.db2.gz XSWFFIPUPGJZGR-VWLOTQADSA-N 1 1 426.557 2.804 40 0 IFABMO Cc1ccc(OC[C@@]2(O)C[N@@H+](CC3(O)CCN(c4ccc(C)cc4)CC3)CC[C@@H]2O)cc1 ZINC000585281985 557221216 /nfs/dbraw/zinc/22/12/16/557221216.db2.gz DQANNTWBYIKLNN-AHWVRZQESA-N 1 1 440.584 2.511 40 0 IFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CC[C@H](O)[C@@](O)(COc4cccc(C)c4)C3)CC2)cc1 ZINC000585283161 557222815 /nfs/dbraw/zinc/22/28/15/557222815.db2.gz QMCVAOYCDWDPAQ-AHWVRZQESA-N 1 1 440.584 2.511 40 0 IFABMO O=C(CCCn1nnc2ccccc2c1=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000604405324 557248941 /nfs/dbraw/zinc/24/89/41/557248941.db2.gz RDLVOEUEQQBGGJ-IWVMGURDSA-N 1 1 447.583 2.993 40 0 IFABMO COc1ccccc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022928976 557277064 /nfs/dbraw/zinc/27/70/64/557277064.db2.gz LRFBUIWOKZSDOB-XUZZJYLKSA-N 1 1 448.571 2.768 40 0 IFABMO Fc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928909 557277151 /nfs/dbraw/zinc/27/71/51/557277151.db2.gz XTFUKGXPAQVARO-PKTZIBPZSA-N 1 1 436.535 2.898 40 0 IFABMO CN1CC[N@@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn21 ZINC000107189294 557335979 /nfs/dbraw/zinc/33/59/79/557335979.db2.gz UGJZAUQPRMNKDQ-QFIPXVFZSA-N 1 1 441.539 2.543 40 0 IFABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(Cl)cc2C)cc1 ZINC000044802796 557352102 /nfs/dbraw/zinc/35/21/02/557352102.db2.gz ZNQUAZBRNBWQDX-UHFFFAOYSA-N 1 1 435.977 2.926 40 0 IFABMO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000033806970 557368586 /nfs/dbraw/zinc/36/85/86/557368586.db2.gz RMUNWQPYCXCXOC-BILGYAHESA-N 1 1 443.503 2.735 40 0 IFABMO CCN1c2ccccc2[C@@]2(C1=O)[C@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000033806970 557368587 /nfs/dbraw/zinc/36/85/87/557368587.db2.gz RMUNWQPYCXCXOC-BILGYAHESA-N 1 1 443.503 2.735 40 0 IFABMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1F ZINC000222653555 557368679 /nfs/dbraw/zinc/36/86/79/557368679.db2.gz REEZUAAKRLAUKV-UHFFFAOYSA-N 1 1 433.549 2.716 40 0 IFABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2Cl)CC1 ZINC000014271827 557431029 /nfs/dbraw/zinc/43/10/29/557431029.db2.gz CDSGLROXMSEECQ-UHFFFAOYSA-N 1 1 446.960 2.990 40 0 IFABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000026109020 557438478 /nfs/dbraw/zinc/43/84/78/557438478.db2.gz SPWGYPWYSRLGMJ-UHFFFAOYSA-N 1 1 448.416 2.699 40 0 IFABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026817676 557508420 /nfs/dbraw/zinc/50/84/20/557508420.db2.gz NWANDGFJGLFONL-WNRNVDISSA-N 1 1 428.275 2.994 40 0 IFABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026817676 557508424 /nfs/dbraw/zinc/50/84/24/557508424.db2.gz NWANDGFJGLFONL-WNRNVDISSA-N 1 1 428.275 2.994 40 0 IFABMO CCN(Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224462111 557609114 /nfs/dbraw/zinc/60/91/14/557609114.db2.gz YBKXDEWRWIZJHO-UHFFFAOYSA-N 1 1 435.977 2.938 40 0 IFABMO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(OC)c1OC ZINC000224541863 557618725 /nfs/dbraw/zinc/61/87/25/557618725.db2.gz XPYSJHDOEPXBIB-PKNBQFBNSA-N 1 1 426.513 2.874 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000224550906 557621371 /nfs/dbraw/zinc/62/13/71/557621371.db2.gz URKRRBNLSBIIEG-IBGZPJMESA-N 1 1 439.622 2.649 40 0 IFABMO CSc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1NC(C)=O ZINC000224588721 557627781 /nfs/dbraw/zinc/62/77/81/557627781.db2.gz IWHVNAUKSBNARM-UHFFFAOYSA-N 1 1 449.598 2.678 40 0 IFABMO COc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(OC)c1OC ZINC000224707823 557642992 /nfs/dbraw/zinc/64/29/92/557642992.db2.gz DALKYPLCSAOPPG-CSKARUKUSA-N 1 1 426.513 2.874 40 0 IFABMO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225180864 557696973 /nfs/dbraw/zinc/69/69/73/557696973.db2.gz NUMWEWUAFZCLMT-JOCHJYFZSA-N 1 1 445.585 2.584 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000225271869 557707507 /nfs/dbraw/zinc/70/75/07/557707507.db2.gz RCGQGRSRRBWGLL-MRXNPFEDSA-N 1 1 442.541 2.660 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000225469647 557726562 /nfs/dbraw/zinc/72/65/62/557726562.db2.gz JBRYIWPBDKJRBZ-UHFFFAOYSA-N 1 1 438.553 2.898 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000225474387 557727084 /nfs/dbraw/zinc/72/70/84/557727084.db2.gz SEJBHNULIFBKTI-HZPDHXFCSA-N 1 1 431.549 2.890 40 0 IFABMO C[C@H]1CCC[N@@H+](CCCNC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)C1 ZINC000260793339 557856135 /nfs/dbraw/zinc/85/61/35/557856135.db2.gz IMBOOWSVAMWXPH-INIZCTEOSA-N 1 1 431.549 2.749 40 0 IFABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)c1 ZINC000585274710 568618594 /nfs/dbraw/zinc/61/85/94/568618594.db2.gz YUDJYDCPYZOIEJ-QHCPKHFHSA-N 1 1 446.931 2.899 40 0 IFABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)c1 ZINC000585274710 568618597 /nfs/dbraw/zinc/61/85/97/568618597.db2.gz YUDJYDCPYZOIEJ-QHCPKHFHSA-N 1 1 446.931 2.899 40 0 IFABMO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C1 ZINC000585287825 568619498 /nfs/dbraw/zinc/61/94/98/568619498.db2.gz SPPUKAFVJVWAQG-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CC3CC3)CC[C@@H]2Oc2cccc(Cl)c2)CC1 ZINC000257204228 568666977 /nfs/dbraw/zinc/66/69/77/568666977.db2.gz ATQAWGBZMXUAJK-RXVVDRJESA-N 1 1 433.980 2.900 40 0 IFABMO Cc1cc2c(cc1C[N@H+]1C[C@@H](c3ccccc3F)[C@]3(C1)CCCC(=O)N3)n(C)c(=O)n2C ZINC000257250356 568688590 /nfs/dbraw/zinc/68/85/90/568688590.db2.gz JMFDYFMRGWUGHG-UQBPGWFLSA-N 1 1 436.531 2.963 40 0 IFABMO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4ccncc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257251341 568689388 /nfs/dbraw/zinc/68/93/88/568689388.db2.gz JQJFUIHYSSIIOO-OAQYLSRUSA-N 1 1 448.571 2.522 40 0 IFABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2C[C@@H]3[C@@H](Cc4ccnc(C)n4)CC[C@@H]3C2)c1 ZINC000257252351 568689542 /nfs/dbraw/zinc/68/95/42/568689542.db2.gz JUNFXOJUYPFBHT-DBXWQHBBSA-N 1 1 437.544 2.891 40 0 IFABMO Cc1nc2cc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257254714 568690619 /nfs/dbraw/zinc/69/06/19/568690619.db2.gz KEIRAGLHFWYQIJ-OAQYLSRUSA-N 1 1 448.571 2.522 40 0 IFABMO COc1cccc2ccc(C[N@H+]3CCC[C@H](c4n[nH]cc4C(=O)N4CCOCC4)C3)nc21 ZINC000257287048 568705396 /nfs/dbraw/zinc/70/53/96/568705396.db2.gz POHAAVYGDQXOGW-SFHVURJKSA-N 1 1 435.528 2.819 40 0 IFABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1cn(C)c3cc(OC)ccc13)C2 ZINC000257305154 568713563 /nfs/dbraw/zinc/71/35/63/568713563.db2.gz SOQYCDSZJWZXAF-QGZVFWFLSA-N 1 1 448.571 2.913 40 0 IFABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1cn(C)c3cc(OC)ccc13)C2 ZINC000257305154 568713565 /nfs/dbraw/zinc/71/35/65/568713565.db2.gz SOQYCDSZJWZXAF-QGZVFWFLSA-N 1 1 448.571 2.913 40 0 IFABMO Cc1ncccc1O[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2OCC(N)=O)CC[C@@H]1O ZINC000257306464 568714210 /nfs/dbraw/zinc/71/42/10/568714210.db2.gz SUIVISCMUBEMHV-REWPJTCUSA-N 1 1 441.572 2.956 40 0 IFABMO Cc1cc(Nc2cccc([C@@H]3CN(C(=O)C[N@@H+]4CCc5ccccc5C4)CCO3)n2)nn1C ZINC000257322250 568721035 /nfs/dbraw/zinc/72/10/35/568721035.db2.gz WFESTYBHCHEPQR-QFIPXVFZSA-N 1 1 446.555 2.825 40 0 IFABMO Cc1cc(Nc2cccc([C@@H]3CN(C(=O)C[N@H+]4CCc5ccccc5C4)CCO3)n2)nn1C ZINC000257322250 568721036 /nfs/dbraw/zinc/72/10/36/568721036.db2.gz WFESTYBHCHEPQR-QFIPXVFZSA-N 1 1 446.555 2.825 40 0 IFABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000257323112 568721248 /nfs/dbraw/zinc/72/12/48/568721248.db2.gz WIUQHFKVSYALCQ-RUZDIDTESA-N 1 1 435.572 2.920 40 0 IFABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000257323112 568721249 /nfs/dbraw/zinc/72/12/49/568721249.db2.gz WIUQHFKVSYALCQ-RUZDIDTESA-N 1 1 435.572 2.920 40 0 IFABMO Cc1cc(C(=O)N2CC[C@@](O)(C[N@@H+](C)Cc3ccc(F)cc3)C2)nc(N2CCCCC2)n1 ZINC000257326395 568722865 /nfs/dbraw/zinc/72/28/65/568722865.db2.gz WXBMLAZOWYIILB-XMMPIXPASA-N 1 1 441.551 2.623 40 0 IFABMO Cc1onc(C(=O)N2CCO[C@@H](c3cncc(-c4ccccc4F)n3)C2)c1C[NH+](C)C ZINC000257329507 568724104 /nfs/dbraw/zinc/72/41/04/568724104.db2.gz XKGOTSVGNNKLBZ-HXUWFJFHSA-N 1 1 425.464 2.854 40 0 IFABMO Cc1onc(C(=O)N2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)c1C[NH+](C)C ZINC000257329506 568724178 /nfs/dbraw/zinc/72/41/78/568724178.db2.gz XKGOTSVGNNKLBZ-FQEVSTJZSA-N 1 1 425.464 2.854 40 0 IFABMO O=C(C1CCC1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2ccccc2)CC4)CC1 ZINC000306125883 568763950 /nfs/dbraw/zinc/76/39/50/568763950.db2.gz DEPQVUGGOJDVOK-UHFFFAOYSA-N 1 1 432.568 2.767 40 0 IFABMO Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306127783 568764998 /nfs/dbraw/zinc/76/49/98/568764998.db2.gz GHLMCGKUXZZKNQ-VWLOTQADSA-N 1 1 438.572 2.777 40 0 IFABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 ZINC000306128782 568765533 /nfs/dbraw/zinc/76/55/33/568765533.db2.gz HKGAYZMTQAKJJD-ZJSXRUAMSA-N 1 1 433.560 2.611 40 0 IFABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4ccccn4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306138708 568770632 /nfs/dbraw/zinc/77/06/32/568770632.db2.gz SEWGFURLIKUMSB-AHWVRZQESA-N 1 1 444.535 2.882 40 0 IFABMO Cc1nc(CN2CCC[C@]3(C[N@H+](Cc4ccccn4)C[C@H]3c3ccnn3C)C2=O)cs1 ZINC000306138683 568770639 /nfs/dbraw/zinc/77/06/39/568770639.db2.gz SEEMVGMZUBLGJK-NZQKXSOJSA-N 1 1 436.585 2.988 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@H]1CC[C@@]2(COCC[N@@H+](CCc3ccccc3)C2)O1 ZINC000306139157 568771033 /nfs/dbraw/zinc/77/10/33/568771033.db2.gz SQUIQHJNAWYKDJ-DNQXCXABSA-N 1 1 444.597 2.599 40 0 IFABMO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000306139725 568771355 /nfs/dbraw/zinc/77/13/55/568771355.db2.gz TYOHPUCQYWPHBZ-XMMPIXPASA-N 1 1 432.480 2.590 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cnn(C(C)C)c4)C[C@H]2C3)cc1 ZINC000306139899 568771549 /nfs/dbraw/zinc/77/15/49/568771549.db2.gz UDPWPLOCSALNGT-MSOLQXFVSA-N 1 1 435.532 2.621 40 0 IFABMO O=S1(=O)c2ccccc2O[C@]2(CC[N@H+](Cc3ccco3)C2)CN1Cc1ccccn1 ZINC000306140972 568771978 /nfs/dbraw/zinc/77/19/78/568771978.db2.gz VHWFOTFROTXUBC-QFIPXVFZSA-N 1 1 425.510 2.903 40 0 IFABMO O=S1(=O)c2ccccc2O[C@]2(CC[N@@H+](Cc3ccco3)C2)CN1Cc1ccccn1 ZINC000306140972 568771980 /nfs/dbraw/zinc/77/19/80/568771980.db2.gz VHWFOTFROTXUBC-QFIPXVFZSA-N 1 1 425.510 2.903 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@H]1C[N@@H+](CC2CC2)C[C@]2(CCN(Cc3ccccc3)C2)O1 ZINC000306141640 568772439 /nfs/dbraw/zinc/77/24/39/568772439.db2.gz WCSXLRUODRQFBH-AOYPEHQESA-N 1 1 434.584 2.796 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@H]1CN(CC2CC2)C[C@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000306141640 568772440 /nfs/dbraw/zinc/77/24/40/568772440.db2.gz WCSXLRUODRQFBH-AOYPEHQESA-N 1 1 434.584 2.796 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@H]1CN(CC2CC2)C[C@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000306141640 568772441 /nfs/dbraw/zinc/77/24/41/568772441.db2.gz WCSXLRUODRQFBH-AOYPEHQESA-N 1 1 434.584 2.796 40 0 IFABMO Cc1cccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 ZINC000306142572 568772712 /nfs/dbraw/zinc/77/27/12/568772712.db2.gz XDNHAUNNAALRLY-UKILVPOCSA-N 1 1 429.524 2.577 40 0 IFABMO c1c([C@H]2C[N@@H+](Cc3cccnc3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306142721 568772998 /nfs/dbraw/zinc/77/29/98/568772998.db2.gz XHLNYFJKLZSBHX-HSZRJFAPSA-N 1 1 432.572 2.835 40 0 IFABMO c1c([C@H]2C[N@H+](Cc3cccnc3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306142721 568772999 /nfs/dbraw/zinc/77/29/99/568772999.db2.gz XHLNYFJKLZSBHX-HSZRJFAPSA-N 1 1 432.572 2.835 40 0 IFABMO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000306143708 568773422 /nfs/dbraw/zinc/77/34/22/568773422.db2.gz YKBLLGMLTPPINK-QHCPKHFHSA-N 1 1 426.540 2.570 40 0 IFABMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306143859 568773441 /nfs/dbraw/zinc/77/34/41/568773441.db2.gz YORAQIPWHFLKBE-ZEQRLZLVSA-N 1 1 427.614 2.745 40 0 IFABMO CS(=O)(=O)N[C@H]1CCN(CCc2ccccc2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306143859 568773442 /nfs/dbraw/zinc/77/34/42/568773442.db2.gz YORAQIPWHFLKBE-ZEQRLZLVSA-N 1 1 427.614 2.745 40 0 IFABMO CS(=O)(=O)N[C@H]1CCN(CCc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306143859 568773443 /nfs/dbraw/zinc/77/34/43/568773443.db2.gz YORAQIPWHFLKBE-ZEQRLZLVSA-N 1 1 427.614 2.745 40 0 IFABMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306143856 568773483 /nfs/dbraw/zinc/77/34/83/568773483.db2.gz YORAQIPWHFLKBE-BJKOFHAPSA-N 1 1 427.614 2.745 40 0 IFABMO CS(=O)(=O)N[C@H]1CCN(CCc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306143856 568773485 /nfs/dbraw/zinc/77/34/85/568773485.db2.gz YORAQIPWHFLKBE-BJKOFHAPSA-N 1 1 427.614 2.745 40 0 IFABMO CS(=O)(=O)N[C@H]1CCN(CCc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306143856 568773486 /nfs/dbraw/zinc/77/34/86/568773486.db2.gz YORAQIPWHFLKBE-BJKOFHAPSA-N 1 1 427.614 2.745 40 0 IFABMO O=C([C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000102674453 568888054 /nfs/dbraw/zinc/88/80/54/568888054.db2.gz ZZICPWHSWMHUCI-SZPZYZBQSA-N 1 1 445.567 2.942 40 0 IFABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)c3nccc4ccccc43)n2)CC1 ZINC000019709129 569234806 /nfs/dbraw/zinc/23/48/06/569234806.db2.gz YJGSCYWWIOHAFQ-UHFFFAOYSA-N 1 1 448.571 2.649 40 0 IFABMO CCn1c(C[NH+]2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)nc2ccccc21 ZINC000019765951 569239082 /nfs/dbraw/zinc/23/90/82/569239082.db2.gz DFBOWBCXDRTEAT-UHFFFAOYSA-N 1 1 448.571 2.885 40 0 IFABMO COc1ccc(OCCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(C)=O)cc2)cc1 ZINC000019699275 569327102 /nfs/dbraw/zinc/32/71/02/569327102.db2.gz KVRXNGQHPPNHLI-RPWUZVMVSA-N 1 1 439.556 2.514 40 0 IFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12 ZINC000009519486 569544315 /nfs/dbraw/zinc/54/43/15/569544315.db2.gz OMNPSGBVRINLBZ-IBGZPJMESA-N 1 1 438.572 2.827 40 0 IFABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5ccccc5)c43)C2)CC1 ZINC000008300413 291340002 /nfs/dbraw/zinc/34/00/02/291340002.db2.gz LEXNHTQTJJPFLA-AZUAARDMSA-N 1 1 434.540 2.531 40 0 biogenic,in-vitro IFABMO C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc3ccccc3c2)C1 ZINC000005413330 291343105 /nfs/dbraw/zinc/34/31/05/291343105.db2.gz XFIJVGRHQULJFF-LAUBAEHRSA-N 1 1 444.535 2.761 40 0 biogenic,in-vitro IFABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000049916882 193921593 /nfs/dbraw/zinc/92/15/93/193921593.db2.gz NWANDGFJGLFONL-XLAORIBOSA-N 1 1 428.275 2.994 40 0 IFABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000049916882 193921598 /nfs/dbraw/zinc/92/15/98/193921598.db2.gz NWANDGFJGLFONL-XLAORIBOSA-N 1 1 428.275 2.994 40 0 IFABMO CCS(=O)(=O)N1c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2C[C@H]1C ZINC000020449193 521668121 /nfs/dbraw/zinc/66/81/21/521668121.db2.gz RQHNNXXWERRGHE-GOSISDBHSA-N 1 1 427.570 2.745 40 0 IFABMO COc1cc(C(=O)NC2CC[NH+](CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000012644593 522103803 /nfs/dbraw/zinc/10/38/03/522103803.db2.gz BPSKNEBUBBKMJO-QFBILLFUSA-N 1 1 447.576 2.602 40 0 IFABMO COC(=O)Cn1cc(C[N@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)c2ccccc21 ZINC000012117868 523396279 /nfs/dbraw/zinc/39/62/79/523396279.db2.gz OFQQGEYIQJQMHQ-UHFFFAOYSA-N 1 1 449.555 2.692 40 0 IFABMO CCc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)cc1 ZINC000022526525 523958888 /nfs/dbraw/zinc/95/88/88/523958888.db2.gz LBSBNOXGXJBZOF-UHFFFAOYSA-N 1 1 426.542 2.826 40 0 IFABMO O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000012602407 526627104 /nfs/dbraw/zinc/62/71/04/526627104.db2.gz GRFJXQPZIXJXAF-AJSBUHFISA-N 1 1 433.552 2.914 40 0 biogenic,in-vitro IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000022509763 527386521 /nfs/dbraw/zinc/38/65/21/527386521.db2.gz LZBPBGRWQACLFQ-GOSISDBHSA-N 1 1 444.582 2.959 40 0 IFABMO CCSc1nnc([C@H]2CCC[N@H+](CC(=O)N3CCN(c4ccccc4)CC3)C2)n1CC ZINC000013565186 535389030 /nfs/dbraw/zinc/38/90/30/535389030.db2.gz OXEDCSQECQJCGQ-IBGZPJMESA-N 1 1 442.633 2.938 40 0 IFABMO CCSc1nnc([C@H]2CCC[N@@H+](CC(=O)N3CCN(c4ccccc4)CC3)C2)n1CC ZINC000013565186 535389035 /nfs/dbraw/zinc/38/90/35/535389035.db2.gz OXEDCSQECQJCGQ-IBGZPJMESA-N 1 1 442.633 2.938 40 0 IFABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4ccc(Br)cc4)c(C)nn3c2C)CC1 ZINC000013635810 556541283 /nfs/dbraw/zinc/54/12/83/556541283.db2.gz PZUHCFUJUPBZNU-UHFFFAOYSA-N 1 1 443.349 2.948 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000038754272 556616944 /nfs/dbraw/zinc/61/69/44/556616944.db2.gz UFBDSCIHGKYOSQ-APWZRJJASA-N 1 1 443.997 2.638 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000038754749 556617262 /nfs/dbraw/zinc/61/72/62/556617262.db2.gz JKCHWGJJFKIFAM-OAHLLOKOSA-N 1 1 430.505 2.791 40 0 IFABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4cccc(Cl)c4)c(COC)nn3c2C)CC1 ZINC000040385231 556635761 /nfs/dbraw/zinc/63/57/61/556635761.db2.gz YQKZPDUYPMHCTF-UHFFFAOYSA-N 1 1 428.924 2.677 40 0 IFABMO Cc1nc2nc3ccn(CCC[NH+]4CCOCC4)c(=O)c3c(-c3ccccc3Cl)n2n1 ZINC000040398390 556640307 /nfs/dbraw/zinc/64/03/07/556640307.db2.gz JPHMDIDWRQCXNX-UHFFFAOYSA-N 1 1 438.919 2.790 40 0 IFABMO O=C(CC1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014731 556691715 /nfs/dbraw/zinc/69/17/15/556691715.db2.gz WWQSSMRHLADREB-NRFANRHFSA-N 1 1 428.577 2.941 40 0 IFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCC[N@@H+](Cc3cnc(N(C)C)nc3)C1)O2 ZINC000019019619 556692996 /nfs/dbraw/zinc/69/29/96/556692996.db2.gz ZYTHJMACCLXDJV-WMZHIEFXSA-N 1 1 439.560 2.573 40 0 IFABMO COc1cc(C)ccc1C[N@H+]1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019133891 556705307 /nfs/dbraw/zinc/70/53/07/556705307.db2.gz NJYDQXKRYYWSNB-IBGZPJMESA-N 1 1 436.556 2.761 40 0 IFABMO CC(C)c1ccc([C@@H]2NC3=NCN(N4CC[NH+](C)CC4)CN3c3nc4ccccc4n32)cc1 ZINC000019172401 556707563 /nfs/dbraw/zinc/70/75/63/556707563.db2.gz NIGDKIVUUNQZFI-HSZRJFAPSA-N 1 1 444.587 2.865 40 0 IFABMO COc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000257265796 556713042 /nfs/dbraw/zinc/71/30/42/556713042.db2.gz MAHVSDARKNDHLP-AREMUKBSSA-N 1 1 439.600 2.596 40 0 IFABMO COc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000257265796 556713045 /nfs/dbraw/zinc/71/30/45/556713045.db2.gz MAHVSDARKNDHLP-AREMUKBSSA-N 1 1 439.600 2.596 40 0 IFABMO COc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000257265796 556713048 /nfs/dbraw/zinc/71/30/48/556713048.db2.gz MAHVSDARKNDHLP-AREMUKBSSA-N 1 1 439.600 2.596 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)C[C@@H]3CCCO3)[nH]c(=O)c2C1 ZINC000019238680 556723701 /nfs/dbraw/zinc/72/37/01/556723701.db2.gz UNNMZLDFUWJFHS-QFBILLFUSA-N 1 1 442.585 2.931 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccn3)[nH]c(=O)c2C1 ZINC000019238683 556723897 /nfs/dbraw/zinc/72/38/97/556723897.db2.gz PPIXQIHGXFARTL-FQEVSTJZSA-N 1 1 449.580 2.999 40 0 IFABMO Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](CC2CCCCC2)CC3)n1 ZINC000019290948 556731159 /nfs/dbraw/zinc/73/11/59/556731159.db2.gz SARGAIBKBSJJMC-NRFANRHFSA-N 1 1 438.576 2.809 40 0 IFABMO Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](CC2CCCCC2)CC3)n1 ZINC000019290947 556731207 /nfs/dbraw/zinc/73/12/07/556731207.db2.gz SARGAIBKBSJJMC-OAQYLSRUSA-N 1 1 438.576 2.809 40 0 IFABMO O=C(c1cccnc1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019337508 556738838 /nfs/dbraw/zinc/73/88/38/556738838.db2.gz BDFNVOAMHCFDCY-KRWDZBQOSA-N 1 1 435.553 2.805 40 0 IFABMO O=C(Cc1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019348121 556743846 /nfs/dbraw/zinc/74/38/46/556743846.db2.gz KXBQCMVTLAAZKK-QFIPXVFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(Cc1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019348121 556743848 /nfs/dbraw/zinc/74/38/48/556743848.db2.gz KXBQCMVTLAAZKK-QFIPXVFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019348123 556743881 /nfs/dbraw/zinc/74/38/81/556743881.db2.gz KXBQCMVTLAAZKK-JOCHJYFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019348123 556743884 /nfs/dbraw/zinc/74/38/84/556743884.db2.gz KXBQCMVTLAAZKK-JOCHJYFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019370656 556748258 /nfs/dbraw/zinc/74/82/58/556748258.db2.gz BPKYFPRIAMRGNY-NRFANRHFSA-N 1 1 443.551 2.672 40 0 IFABMO O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019370656 556748260 /nfs/dbraw/zinc/74/82/60/556748260.db2.gz BPKYFPRIAMRGNY-NRFANRHFSA-N 1 1 443.551 2.672 40 0 IFABMO O=C(c1ccccn1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019399993 556752643 /nfs/dbraw/zinc/75/26/43/556752643.db2.gz FKVFDMZFAUFBFZ-INIZCTEOSA-N 1 1 435.553 2.805 40 0 IFABMO COc1cc(CCC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)on1 ZINC000019448333 556757361 /nfs/dbraw/zinc/75/73/61/556757361.db2.gz OPQKEYXPTUAKEU-GOSISDBHSA-N 1 1 429.521 2.632 40 0 IFABMO COc1ccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CC[N@H+](C(C)C)CC2)cc1 ZINC000019448621 556758360 /nfs/dbraw/zinc/75/83/60/556758360.db2.gz UZMILNDXWRAKDP-UHFFFAOYSA-N 1 1 434.540 2.644 40 0 IFABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)c4ccncc4)C3)[nH]c(=O)c2C1 ZINC000019570615 556810785 /nfs/dbraw/zinc/81/07/85/556810785.db2.gz GMSDZPDVNXLKLA-LJQANCHMSA-N 1 1 445.523 2.774 40 0 IFABMO CN(C)C(=O)[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@@]12COc1ccccc1C2=O ZINC000019581371 556819219 /nfs/dbraw/zinc/81/92/19/556819219.db2.gz VQMWUZVCROOTDB-HYBUGGRVSA-N 1 1 426.488 2.876 40 0 IFABMO CNc1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019592376 556828571 /nfs/dbraw/zinc/82/85/71/556828571.db2.gz RWMPBYOBDQZTDK-NQIIRXRSSA-N 1 1 426.540 2.828 40 0 IFABMO CNc1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019592376 556828572 /nfs/dbraw/zinc/82/85/72/556828572.db2.gz RWMPBYOBDQZTDK-NQIIRXRSSA-N 1 1 426.540 2.828 40 0 IFABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)n1 ZINC000019694656 556850818 /nfs/dbraw/zinc/85/08/18/556850818.db2.gz LFFPOKYYULIOOC-IBGZPJMESA-N 1 1 441.551 2.777 40 0 IFABMO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708830 556870374 /nfs/dbraw/zinc/87/03/74/556870374.db2.gz ARSBRTYFIGMSAJ-OAHLLOKOSA-N 1 1 433.553 2.522 40 0 IFABMO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708830 556870379 /nfs/dbraw/zinc/87/03/79/556870379.db2.gz ARSBRTYFIGMSAJ-OAHLLOKOSA-N 1 1 433.553 2.522 40 0 IFABMO Cc1nc([C@@H]2CCC[N@@H+](CCC(N)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741271 556883088 /nfs/dbraw/zinc/88/30/88/556883088.db2.gz SBGXXSGPXRGZCG-HXUWFJFHSA-N 1 1 435.572 2.752 40 0 IFABMO O=C(CC[NH+]1CCOCC1)N1CCC(c2ccc3c(NCc4ccccc4)n[nH]c3n2)CC1 ZINC000019745174 556892034 /nfs/dbraw/zinc/89/20/34/556892034.db2.gz QGRDXOYKPFPTPR-UHFFFAOYSA-N 1 1 448.571 2.998 40 0 IFABMO Cc1cc2c(cc1C[N@H+]1CC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C1)n(C)c(=O)n2C ZINC000019757652 556901581 /nfs/dbraw/zinc/90/15/81/556901581.db2.gz IPVPJAUIFYMOOH-SFHVURJKSA-N 1 1 448.571 2.509 40 0 IFABMO C[NH+]1CCN(C(=O)c2cc([C@@H]3CCN(C(=O)c4ccncc4)C3)nc3ccccc32)CC1 ZINC000019759179 556902906 /nfs/dbraw/zinc/90/29/06/556902906.db2.gz OGCRPYFTWCCKJB-LJQANCHMSA-N 1 1 429.524 2.647 40 0 IFABMO Cc1nc(C2CC[NH+](CC(=O)NC(C)(C)Cc3ccccc3)CC2)ncc1C(=O)N(C)C ZINC000019766465 556911711 /nfs/dbraw/zinc/91/17/11/556911711.db2.gz OJXHRRSUPQTGGM-UHFFFAOYSA-N 1 1 437.588 2.804 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@H](c3ccc(Nc4cnccn4)cn3)C2)ccc1OCC(N)=O ZINC000072353450 556926915 /nfs/dbraw/zinc/92/69/15/556926915.db2.gz JEMRRNQXROOUQP-SFHVURJKSA-N 1 1 448.527 2.868 40 0 IFABMO Cn1c(=O)c2ccc([C@H]3CCC[N@@H+]3Cc3ccncc3)nc2n(Cc2ccccc2)c1=O ZINC000072373398 556946604 /nfs/dbraw/zinc/94/66/04/556946604.db2.gz BYGFPRFBBOUJNX-JOCHJYFZSA-N 1 1 427.508 2.876 40 0 IFABMO Cn1c(=O)c2ccc([C@H]3CCC[N@H+]3Cc3ccncc3)nc2n(Cc2ccccc2)c1=O ZINC000072373398 556946606 /nfs/dbraw/zinc/94/66/06/556946606.db2.gz BYGFPRFBBOUJNX-JOCHJYFZSA-N 1 1 427.508 2.876 40 0 IFABMO COCc1ccc(OC)c(C[N@H+]2C[C@@H](c3c(F)cccc3F)[C@]3(C2)COCCC(=O)N3)c1 ZINC000072390469 556960711 /nfs/dbraw/zinc/96/07/11/556960711.db2.gz OBCKHQRTIRULCT-UUOWRZLLSA-N 1 1 446.494 2.995 40 0 IFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393250 556964586 /nfs/dbraw/zinc/96/45/86/556964586.db2.gz ROBRHKVZENMLPY-LJQANCHMSA-N 1 1 431.544 2.992 40 0 IFABMO COc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4cc5c(c(Cl)c4)OCO5)C[C@@H]32)c(OC)n1 ZINC000072395414 556967405 /nfs/dbraw/zinc/96/74/05/556967405.db2.gz VABOVJOZUQMILJ-CGSMKXTHSA-N 1 1 433.892 2.606 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020043711 556972685 /nfs/dbraw/zinc/97/26/85/556972685.db2.gz PSWFPWQMKXLNCJ-SFHVURJKSA-N 1 1 427.636 2.920 40 0 IFABMO COc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)cc1 ZINC000020044435 556972719 /nfs/dbraw/zinc/97/27/19/556972719.db2.gz MGQQJRPMIWLNIV-MRXNPFEDSA-N 1 1 442.541 2.660 40 0 IFABMO COc1cccc2cc(C(=O)N3CCC4(CC3)NC(=O)[C@@H]3C[N@@H+](CC(C)C)C[C@@H]34)oc21 ZINC000585106057 557039641 /nfs/dbraw/zinc/03/96/41/557039641.db2.gz ICWKJCLUZJDVRG-MSOLQXFVSA-N 1 1 425.529 2.750 40 0 IFABMO O=C(Cc1ccsc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cc(F)ccc3F)C[C@@H]12 ZINC000585106334 557039867 /nfs/dbraw/zinc/03/98/67/557039867.db2.gz WVRMKSUSHCZJJQ-MOPGFXCFSA-N 1 1 445.535 2.808 40 0 IFABMO COc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCCC3CCOCC3)C2)cc1C ZINC000585109566 557041818 /nfs/dbraw/zinc/04/18/18/557041818.db2.gz WXRBANIFEWBJKN-VSKRKVRLSA-N 1 1 431.577 2.559 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006325879 557151226 /nfs/dbraw/zinc/15/12/26/557151226.db2.gz WPWAXSHFVRZVNX-UHFFFAOYSA-N 1 1 429.586 2.971 40 0 IFABMO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000096036925 557164231 /nfs/dbraw/zinc/16/42/31/557164231.db2.gz QUTYXHWYFRLZIR-UHFFFAOYSA-N 1 1 437.569 2.712 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccncc4)CC3)c3ccccc32)CC1 ZINC000096052950 557166473 /nfs/dbraw/zinc/16/64/73/557166473.db2.gz FMDPKFNAYLVGCS-NRFANRHFSA-N 1 1 432.568 2.907 40 0 IFABMO COc1cccc(NC(=O)N2CCC3(C[N@@H+](Cc4cccnc4)C[C@]34CCNC4=O)CC2)c1 ZINC000096091183 557168946 /nfs/dbraw/zinc/16/89/46/557168946.db2.gz VXCKAZKUQPRRQT-VWLOTQADSA-N 1 1 449.555 2.726 40 0 IFABMO CCN1CC[C@@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)COc2ccccc2)CC3)C1=O ZINC000096144334 557172101 /nfs/dbraw/zinc/17/21/01/557172101.db2.gz TZQVFYBDRZWQFS-RUZDIDTESA-N 1 1 427.589 2.884 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(C[N@H+](Cc4cccnc4)C[C@]34CCN(C)C4=O)CC2)cc1 ZINC000096144288 557172174 /nfs/dbraw/zinc/17/21/74/557172174.db2.gz FYALSFWZQARDMM-SANMLTNESA-N 1 1 432.568 2.977 40 0 IFABMO CC[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)Cc3cccc(OC)c3)CC[C@@H]12 ZINC000096145315 557174746 /nfs/dbraw/zinc/17/47/46/557174746.db2.gz FYNLLMVCPASPGC-RCZVLFRGSA-N 1 1 436.556 2.974 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(c2ccc(C)nc2)CC[N@@H+]3CC2CC2)cn1 ZINC000096230386 557185027 /nfs/dbraw/zinc/18/50/27/557185027.db2.gz VYTHELNUKMTMSH-UHFFFAOYSA-N 1 1 433.556 2.827 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(c2ccc(C)nc2)CC[N@H+]3CC2CC2)cn1 ZINC000096230386 557185029 /nfs/dbraw/zinc/18/50/29/557185029.db2.gz VYTHELNUKMTMSH-UHFFFAOYSA-N 1 1 433.556 2.827 40 0 IFABMO Cc1ccccc1C[N@@H+]1C[C@@H]2c3nc(N4CCC[C@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251985 557188990 /nfs/dbraw/zinc/18/89/90/557188990.db2.gz QJMIKQFMCAEVNH-ORYQWCPZSA-N 1 1 426.586 2.918 40 0 IFABMO Cc1ccccc1C[N@H+]1C[C@@H]2c3nc(N4CCC[C@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251985 557188993 /nfs/dbraw/zinc/18/89/93/557188993.db2.gz QJMIKQFMCAEVNH-ORYQWCPZSA-N 1 1 426.586 2.918 40 0 IFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000585261883 557197216 /nfs/dbraw/zinc/19/72/16/557197216.db2.gz IZBSCRDQLQNXMT-DEOSSOPVSA-N 1 1 426.532 2.969 40 0 IFABMO CC(=O)N[C@]12CN(CC(=O)Nc3ccc(C)c(F)c3)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000585262202 557201110 /nfs/dbraw/zinc/20/11/10/557201110.db2.gz MTXLADMLFRVOTK-NQHRYMMQSA-N 1 1 438.547 2.956 40 0 IFABMO COc1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCCN3CCCC3=O)cc2)c1 ZINC000585270466 557214283 /nfs/dbraw/zinc/21/42/83/557214283.db2.gz KQJFJOAFTVKSKU-OAQYLSRUSA-N 1 1 442.556 2.958 40 0 IFABMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCCN3CCOCC3)cc2)c(C)c1 ZINC000585274201 557218376 /nfs/dbraw/zinc/21/83/76/557218376.db2.gz UPCYHQTYSSHELV-HSZRJFAPSA-N 1 1 428.573 2.886 40 0 IFABMO Cc1cc(OC[C@]2(O)CCC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)cc(C)c1Cl ZINC000585282081 557221380 /nfs/dbraw/zinc/22/13/80/557221380.db2.gz XNGGMZSGOXPHES-FQEVSTJZSA-N 1 1 430.998 2.587 40 0 IFABMO Cc1cccc(OC[C@@]2(O)C[N@@H+](CC3(O)CCN(c4ccccc4C)CC3)CC[C@@H]2O)c1 ZINC000585284729 557224406 /nfs/dbraw/zinc/22/44/06/557224406.db2.gz ZKBGOPOVTZGJAR-AHWVRZQESA-N 1 1 440.584 2.511 40 0 IFABMO Cc1cc(N2CC[NH+](CCN3CCOCC3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000022931168 557274749 /nfs/dbraw/zinc/27/47/49/557274749.db2.gz IZMLHDMEQGFFAQ-UHFFFAOYSA-N 1 1 440.979 2.812 40 0 IFABMO COc1ccccc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022928986 557277086 /nfs/dbraw/zinc/27/70/86/557277086.db2.gz LRFBUIWOKZSDOB-QPPBQGQZSA-N 1 1 448.571 2.768 40 0 IFABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000044791615 557351201 /nfs/dbraw/zinc/35/12/01/557351201.db2.gz FWLQYBFOOXAJFT-UHFFFAOYSA-N 1 1 437.565 2.950 40 0 IFABMO CCS(=O)(=O)N1CCC(C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000222612847 557361852 /nfs/dbraw/zinc/36/18/52/557361852.db2.gz FMLIQTCMXXRKAD-UHFFFAOYSA-N 1 1 438.981 2.868 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000014135374 557422758 /nfs/dbraw/zinc/42/27/58/557422758.db2.gz YBQRWYFFQFOYEY-UHFFFAOYSA-N 1 1 435.977 2.695 40 0 IFABMO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000223325285 557459249 /nfs/dbraw/zinc/45/92/49/557459249.db2.gz ZCUCQVVTNOEJIU-UHFFFAOYSA-N 1 1 444.582 2.840 40 0 IFABMO COc1ccc(CCn2nnnc2[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000020142404 557515983 /nfs/dbraw/zinc/51/59/83/557515983.db2.gz AWCBZBMKFVEGPQ-HSZRJFAPSA-N 1 1 436.560 2.578 40 0 IFABMO CCN(Cc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224457367 557608396 /nfs/dbraw/zinc/60/83/96/557608396.db2.gz BWDRQZLFDCXTEG-UHFFFAOYSA-N 1 1 429.586 2.984 40 0 IFABMO CCN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1)S(=O)(=O)CC ZINC000224583241 557627138 /nfs/dbraw/zinc/62/71/38/557627138.db2.gz WCGJHMDERZNFJP-UHFFFAOYSA-N 1 1 445.585 2.625 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260800784 557857697 /nfs/dbraw/zinc/85/76/97/557857697.db2.gz XBHTWLUYXAKLOA-ROUUACIJSA-N 1 1 425.595 2.621 40 0 IFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000260801537 557857718 /nfs/dbraw/zinc/85/77/18/557857718.db2.gz BHSUKGMISTUFEU-MSOLQXFVSA-N 1 1 442.025 2.979 40 0 IFABMO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000585287876 568619491 /nfs/dbraw/zinc/61/94/91/568619491.db2.gz UGSKBENCGRUGSK-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO Cc1cccc(OC[C@]2(O)COCC[N@@H+](CC3(O)CCN(c4cccc(F)c4)CC3)C2)c1 ZINC000585287788 568619507 /nfs/dbraw/zinc/61/95/07/568619507.db2.gz RRDJYNSNVNHARE-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000260903590 568628758 /nfs/dbraw/zinc/62/87/58/568628758.db2.gz PMJBOHVPXLVSNJ-QUCCMNQESA-N 1 1 439.597 2.997 40 0 IFABMO O=C(C[N@H+]1[C@H](Cc2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21)N1CC(=O)Nc2ccccc21 ZINC000257209393 568669369 /nfs/dbraw/zinc/66/93/69/568669369.db2.gz BQEJKBIDBWVZFV-LSWJPFSZSA-N 1 1 446.551 2.716 40 0 IFABMO c1cn2cc(C[C@H]3COCCN(Cc4ccccc4OCC[NH+]4CCCC4)C3)ncc2n1 ZINC000257235109 568681646 /nfs/dbraw/zinc/68/16/46/568681646.db2.gz GWLWGMZXELGDNM-OAQYLSRUSA-N 1 1 435.572 2.895 40 0 IFABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(Cl)c2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000257254984 568690652 /nfs/dbraw/zinc/69/06/52/568690652.db2.gz KFQLBPZWBWFKDC-CGXNFDGLSA-N 1 1 440.931 2.874 40 0 IFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(=O)C(C)C)c2)cc1 ZINC000257261854 568694083 /nfs/dbraw/zinc/69/40/83/568694083.db2.gz LJAAFOSLRIJNFF-ZEQRLZLVSA-N 1 1 437.584 2.972 40 0 IFABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1cn(C)c3cc(OC)ccc13)C2 ZINC000257305153 568713456 /nfs/dbraw/zinc/71/34/56/568713456.db2.gz SOQYCDSZJWZXAF-KRWDZBQOSA-N 1 1 448.571 2.913 40 0 IFABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1cn(C)c3cc(OC)ccc13)C2 ZINC000257305153 568713460 /nfs/dbraw/zinc/71/34/60/568713460.db2.gz SOQYCDSZJWZXAF-KRWDZBQOSA-N 1 1 448.571 2.913 40 0 IFABMO Cc1cc(Nc2cccc([C@H]3CN(C(=O)C[N@@H+]4CCc5ccccc5C4)CCO3)n2)nn1C ZINC000257322249 568721023 /nfs/dbraw/zinc/72/10/23/568721023.db2.gz WFESTYBHCHEPQR-JOCHJYFZSA-N 1 1 446.555 2.825 40 0 IFABMO Cc1cc(Nc2cccc([C@H]3CN(C(=O)C[N@H+]4CCc5ccccc5C4)CCO3)n2)nn1C ZINC000257322249 568721025 /nfs/dbraw/zinc/72/10/25/568721025.db2.gz WFESTYBHCHEPQR-JOCHJYFZSA-N 1 1 446.555 2.825 40 0 IFABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257336604 568727012 /nfs/dbraw/zinc/72/70/12/568727012.db2.gz YPEMJICHJVQSCN-FQEVSTJZSA-N 1 1 434.544 2.983 40 0 IFABMO COc1cccc(C[N@H+](C)CC(=O)N2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)c1 ZINC000257338761 568728204 /nfs/dbraw/zinc/72/82/04/568728204.db2.gz YYWDHNJVFXMCIA-NRFANRHFSA-N 1 1 448.527 2.656 40 0 IFABMO COc1cccc(C[N@@H+](C)CC(=O)N2CCO[C@H](c3cccc(Nc4ncccn4)n3)C2)c1 ZINC000257338761 568728205 /nfs/dbraw/zinc/72/82/05/568728205.db2.gz YYWDHNJVFXMCIA-NRFANRHFSA-N 1 1 448.527 2.656 40 0 IFABMO O=C(CC[NH+]1CCOCC1)N1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 ZINC000257343569 568729890 /nfs/dbraw/zinc/72/98/90/568729890.db2.gz ZTNBNQMPIBXYDY-QFIPXVFZSA-N 1 1 429.948 2.948 40 0 IFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(nnc2C(=O)NCc2ccccc2)CN3C)cc1 ZINC000306123560 568762829 /nfs/dbraw/zinc/76/28/29/568762829.db2.gz AQDPBYSSCQLOIF-RUZDIDTESA-N 1 1 430.556 2.607 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccncc3)cn21 ZINC000306129410 568765592 /nfs/dbraw/zinc/76/55/92/568765592.db2.gz ICEBMFORFHMYJE-QFIPXVFZSA-N 1 1 447.587 2.574 40 0 IFABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000306130507 568766094 /nfs/dbraw/zinc/76/60/94/568766094.db2.gz JIONJBOTXJJXOB-NRFANRHFSA-N 1 1 428.945 2.716 40 0 IFABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000306130508 568766216 /nfs/dbraw/zinc/76/62/16/568766216.db2.gz JIONJBOTXJJXOB-OAQYLSRUSA-N 1 1 428.945 2.716 40 0 IFABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@@H+](Cc3cccc(Cl)c3)C1)C2 ZINC000306133600 568767932 /nfs/dbraw/zinc/76/79/32/568767932.db2.gz MQLSQNDOKIVZPZ-QHCPKHFHSA-N 1 1 444.963 2.814 40 0 IFABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CC[N@H+](Cc3cccc(Cl)c3)C1)C2 ZINC000306133600 568767935 /nfs/dbraw/zinc/76/79/35/568767935.db2.gz MQLSQNDOKIVZPZ-QHCPKHFHSA-N 1 1 444.963 2.814 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3ccccn3)cn21 ZINC000306134582 568768402 /nfs/dbraw/zinc/76/84/02/568768402.db2.gz NSQAMNODLXLZFP-QFIPXVFZSA-N 1 1 447.587 2.574 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@H](C(=O)NCCc2ccccc2)O3)s1 ZINC000306134741 568768637 /nfs/dbraw/zinc/76/86/37/568768637.db2.gz NWYUNXBOIQHMIA-HXUWFJFHSA-N 1 1 441.597 2.721 40 0 IFABMO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@H+](C)C[C@H](C(=O)N(C)Cc1ccccc1)O2 ZINC000306136313 568769444 /nfs/dbraw/zinc/76/94/44/568769444.db2.gz PPSWAYOZKWZAQR-XMMPIXPASA-N 1 1 449.595 2.888 40 0 IFABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4ccccn4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306138711 568770806 /nfs/dbraw/zinc/77/08/06/568770806.db2.gz SEWGFURLIKUMSB-RSXGOPAZSA-N 1 1 444.535 2.882 40 0 IFABMO COc1ccc(CN2CC[C@H](NS(C)(=O)=O)[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cc1 ZINC000306143117 568773141 /nfs/dbraw/zinc/77/31/41/568773141.db2.gz XTOYAZDHDAFPOQ-VXKWHMMOSA-N 1 1 449.642 2.773 40 0 IFABMO COc1ccc(C[N@@H+]2CC[C@H](NS(C)(=O)=O)[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143117 568773142 /nfs/dbraw/zinc/77/31/42/568773142.db2.gz XTOYAZDHDAFPOQ-VXKWHMMOSA-N 1 1 449.642 2.773 40 0 IFABMO COc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143117 568773145 /nfs/dbraw/zinc/77/31/45/568773145.db2.gz XTOYAZDHDAFPOQ-VXKWHMMOSA-N 1 1 449.642 2.773 40 0 IFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306144416 568773944 /nfs/dbraw/zinc/77/39/44/568773944.db2.gz ZEPCGEWVVUXWIX-NTKDMRAZSA-N 1 1 440.544 2.657 40 0 IFABMO CCc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)cc1 ZINC000306145112 568774172 /nfs/dbraw/zinc/77/41/72/568774172.db2.gz ZYNOJADZCLIMKC-RUZDIDTESA-N 1 1 438.572 2.723 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1CO ZINC000247879833 569206359 /nfs/dbraw/zinc/20/63/59/569206359.db2.gz IJQKWVHSIMOULQ-IEXUWNMDSA-N 1 1 439.556 2.831 40 0 IFABMO Cc1cccc(N2CC[N@H+](C[C@H](O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C[C@@H]2C)c1 ZINC000248105497 569207190 /nfs/dbraw/zinc/20/71/90/569207190.db2.gz LHAIHZNXGFPJCX-IMWIBFENSA-N 1 1 443.613 2.950 40 0 IFABMO Cc1cccc(N(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000008049778 569218854 /nfs/dbraw/zinc/21/88/54/569218854.db2.gz ZPAFRRCMWZZYBE-UHFFFAOYSA-N 1 1 429.586 2.886 40 0 IFABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1OC ZINC000012219524 569224790 /nfs/dbraw/zinc/22/47/90/569224790.db2.gz CRINLJYVKLZJOJ-GOSISDBHSA-N 1 1 437.544 2.964 40 0 IFABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)c3cccc4cccnc43)n2)CC1 ZINC000019709130 569234765 /nfs/dbraw/zinc/23/47/65/569234765.db2.gz ISDKPRLVKGUQIA-UHFFFAOYSA-N 1 1 448.571 2.649 40 0 IFABMO Cc1nc([C@@H]2CCCCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000019751812 569236756 /nfs/dbraw/zinc/23/67/56/569236756.db2.gz WHFLSBRJZQRCER-FQEVSTJZSA-N 1 1 427.524 2.812 40 0 IFABMO Cc1nc([C@@H]2CCCCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000019751812 569236757 /nfs/dbraw/zinc/23/67/57/569236757.db2.gz WHFLSBRJZQRCER-FQEVSTJZSA-N 1 1 427.524 2.812 40 0 IFABMO CNc1cc(CC2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)[nH+]c(C)n1 ZINC000019757686 569237190 /nfs/dbraw/zinc/23/71/90/569237190.db2.gz DDZKGOWPCQMTBQ-UHFFFAOYSA-N 1 1 443.573 2.597 40 0 IFABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2C[N@H+](CCc3ccccc3)CCO2)n1 ZINC000019694896 569326714 /nfs/dbraw/zinc/32/67/14/569326714.db2.gz GBUNXSNTOZYCAD-QFIPXVFZSA-N 1 1 431.540 2.925 40 0 IFABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)n1 ZINC000019694896 569326715 /nfs/dbraw/zinc/32/67/15/569326715.db2.gz GBUNXSNTOZYCAD-QFIPXVFZSA-N 1 1 431.540 2.925 40 0 IFABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2C[N@H+](CCc3ccccc3)CCO2)n1 ZINC000019694897 569326745 /nfs/dbraw/zinc/32/67/45/569326745.db2.gz GBUNXSNTOZYCAD-JOCHJYFZSA-N 1 1 431.540 2.925 40 0 IFABMO CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2C[N@@H+](CCc3ccccc3)CCO2)n1 ZINC000019694897 569326747 /nfs/dbraw/zinc/32/67/47/569326747.db2.gz GBUNXSNTOZYCAD-JOCHJYFZSA-N 1 1 431.540 2.925 40 0 IFABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)Nc5ccccc5)c43)C2)CC1 ZINC000008300434 291340057 /nfs/dbraw/zinc/34/00/57/291340057.db2.gz PITFRHAPBTTXSE-RBUKOAKNSA-N 1 1 449.555 2.922 40 0 biogenic,in-vitro IFABMO COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)C=C[C@]4(Br)[C@H](C2)[N@@H+](C)CC[C@@]314 ZINC000096316406 291347129 /nfs/dbraw/zinc/34/71/29/291347129.db2.gz DOUIIQXGCWGWBD-KHDMTIDOSA-N 1 1 434.330 2.980 40 0 biogenic,in-vitro IFABMO O=C(NC1CCCCC1)[C@H]1O[C@H](CCN2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC000030878839 291349800 /nfs/dbraw/zinc/34/98/00/291349800.db2.gz LOLSSQVOHHYTCU-HJOGWXRNSA-N 1 1 429.605 2.552 40 0 biogenic,in-vitro IFABMO CC(C)[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022929644 519824293 /nfs/dbraw/zinc/82/42/93/519824293.db2.gz KNAPIDNQJCGDHJ-HSZRJFAPSA-N 1 1 434.544 2.965 40 0 IFABMO COc1cc(C(=O)NC2CC[NH+](CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc(OC)c1OC ZINC000012644610 522102038 /nfs/dbraw/zinc/10/20/38/522102038.db2.gz BPSKNEBUBBKMJO-APWZRJJASA-N 1 1 447.576 2.602 40 0 IFABMO Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2cccs2)[N@H+]3C)cc1 ZINC000035442464 524469631 /nfs/dbraw/zinc/46/96/31/524469631.db2.gz YMBRFOXEMUZANC-WPYKKVEZSA-N 1 1 440.613 2.526 40 0 biogenic,in-vitro IFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2cccs2)N3C)cc1 ZINC000035442464 524469637 /nfs/dbraw/zinc/46/96/37/524469637.db2.gz YMBRFOXEMUZANC-WPYKKVEZSA-N 1 1 440.613 2.526 40 0 biogenic,in-vitro IFABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2cccs2)N3C)cc1 ZINC000035442464 524469643 /nfs/dbraw/zinc/46/96/43/524469643.db2.gz YMBRFOXEMUZANC-WPYKKVEZSA-N 1 1 440.613 2.526 40 0 biogenic,in-vitro IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000020461492 527370840 /nfs/dbraw/zinc/37/08/40/527370840.db2.gz XEHMBQHLRHITHV-UHFFFAOYSA-N 1 1 444.582 2.959 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000022513564 527383533 /nfs/dbraw/zinc/38/35/33/527383533.db2.gz MSDNYUVGRMXFMW-UHFFFAOYSA-N 1 1 432.933 2.917 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020460852 527384360 /nfs/dbraw/zinc/38/43/60/527384360.db2.gz PWMQBLVFUPFRMM-UHFFFAOYSA-N 1 1 432.933 2.917 40 0 IFABMO O=C(NCCC[NH+]1CCOCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408575780 555926482 /nfs/dbraw/zinc/92/64/82/555926482.db2.gz RAEMRWPYYCCCGL-XMMPIXPASA-N 1 1 439.581 2.913 40 0 IFABMO CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(C)(=O)=O ZINC000044850161 556670473 /nfs/dbraw/zinc/67/04/73/556670473.db2.gz RDRLVVYWBJUGLN-UHFFFAOYSA-N 1 1 442.541 2.662 40 0 IFABMO O=C(CCC1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014612 556691765 /nfs/dbraw/zinc/69/17/65/556691765.db2.gz UPPMIXAMLGHAGP-OAQYLSRUSA-N 1 1 428.577 2.941 40 0 IFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000260449409 556708317 /nfs/dbraw/zinc/70/83/17/556708317.db2.gz QQFKUUWOHRISFQ-KSZLIROESA-N 1 1 427.636 2.633 40 0 IFABMO COc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000257265797 556713098 /nfs/dbraw/zinc/71/30/98/556713098.db2.gz MAHVSDARKNDHLP-SANMLTNESA-N 1 1 439.600 2.596 40 0 IFABMO COc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000257265797 556713103 /nfs/dbraw/zinc/71/31/03/556713103.db2.gz MAHVSDARKNDHLP-SANMLTNESA-N 1 1 439.600 2.596 40 0 IFABMO COc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3cccc(CN4CCOCC4)c3)C2)cc1 ZINC000257265797 556713106 /nfs/dbraw/zinc/71/31/06/556713106.db2.gz MAHVSDARKNDHLP-SANMLTNESA-N 1 1 439.600 2.596 40 0 IFABMO Cc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C2CCOCC2)CC3)c1 ZINC000019234718 556719072 /nfs/dbraw/zinc/71/90/72/556719072.db2.gz BMDZAODADLKPIK-QFIPXVFZSA-N 1 1 436.556 2.522 40 0 IFABMO Cc1nc(C)n(CC(=O)N2C[C@H](c3ccc(C[NH+]4CCOCC4)cc3)[C@H]3CCCC[C@H]32)n1 ZINC000019285758 556727513 /nfs/dbraw/zinc/72/75/13/556727513.db2.gz CLLQEYAJVYZRMK-WXFUMESZSA-N 1 1 437.588 2.912 40 0 IFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 ZINC000019293043 556732411 /nfs/dbraw/zinc/73/24/11/556732411.db2.gz XHAWOOWPWAVXAY-OAHLLOKOSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cc(F)ccc4F)C3)[nH]c(=O)c2C1 ZINC000019293043 556732413 /nfs/dbraw/zinc/73/24/13/556732413.db2.gz XHAWOOWPWAVXAY-OAHLLOKOSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019339125 556739416 /nfs/dbraw/zinc/73/94/16/556739416.db2.gz LQRQWEXVYHHVOT-KRWDZBQOSA-N 1 1 435.553 2.805 40 0 IFABMO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](CC4=CCCOC4)C3)[nH]c(=O)c2C1 ZINC000019342767 556740691 /nfs/dbraw/zinc/74/06/91/556740691.db2.gz PIJHWPCLTKYWFK-KRWDZBQOSA-N 1 1 440.569 2.556 40 0 IFABMO O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019343664 556741602 /nfs/dbraw/zinc/74/16/02/556741602.db2.gz JXQVRBVMMRDDRI-OALUTQOASA-N 1 1 428.558 2.622 40 0 IFABMO O=C([C@@H]1CCCO1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019343664 556741605 /nfs/dbraw/zinc/74/16/05/556741605.db2.gz JXQVRBVMMRDDRI-OALUTQOASA-N 1 1 428.558 2.622 40 0 IFABMO c1csc(-c2nc(N3CC[N@H+]4CCC[C@@H]4C3)ncc2-c2ccnc(N3CCOCC3)n2)c1 ZINC000019343937 556741724 /nfs/dbraw/zinc/74/17/24/556741724.db2.gz WSNCAAHOMQIZCO-QGZVFWFLSA-N 1 1 449.584 2.783 40 0 IFABMO O=C1CCOC[C@]2(C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@H]2c2cccnc2)N1 ZINC000019349469 556744587 /nfs/dbraw/zinc/74/45/87/556744587.db2.gz XUZBSTICWLTHFI-OZXSUGGESA-N 1 1 444.535 2.930 40 0 IFABMO O=C1CCOC[C@]2(C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]2c2cccnc2)N1 ZINC000019401992 556753740 /nfs/dbraw/zinc/75/37/40/556753740.db2.gz AEUWLPWGOXAUCY-AHWVRZQESA-N 1 1 444.535 2.930 40 0 IFABMO O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(c2ccncc2)CC1 ZINC000019405035 556754916 /nfs/dbraw/zinc/75/49/16/556754916.db2.gz LFJZULJDCNALNL-OAQYLSRUSA-N 1 1 435.572 2.560 40 0 IFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccc3nccnc3c2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450078 556760922 /nfs/dbraw/zinc/76/09/22/556760922.db2.gz FTLMFEDYMSEZGQ-PMACEKPBSA-N 1 1 445.571 2.760 40 0 IFABMO C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459055 556766426 /nfs/dbraw/zinc/76/64/26/556766426.db2.gz FTQUUPWIGVPNNY-NQIIRXRSSA-N 1 1 443.551 2.843 40 0 IFABMO C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459055 556766427 /nfs/dbraw/zinc/76/64/27/556766427.db2.gz FTQUUPWIGVPNNY-NQIIRXRSSA-N 1 1 443.551 2.843 40 0 IFABMO COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)cc1C ZINC000019571428 556811610 /nfs/dbraw/zinc/81/16/10/556811610.db2.gz XZGQJPQUAXGEKA-LJQANCHMSA-N 1 1 446.573 2.792 40 0 IFABMO COc1ncc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)cn1 ZINC000019572015 556812236 /nfs/dbraw/zinc/81/22/36/556812236.db2.gz XPVSHRIUICNPHC-IBGZPJMESA-N 1 1 438.532 2.649 40 0 IFABMO Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019572188 556812499 /nfs/dbraw/zinc/81/24/99/556812499.db2.gz MUESHGYLFHQQJZ-LJQANCHMSA-N 1 1 439.560 2.632 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)ccc1OCC(N)=O ZINC000019689291 556843968 /nfs/dbraw/zinc/84/39/68/556843968.db2.gz CIPUYNWMOHDCJV-LJQANCHMSA-N 1 1 435.528 2.734 40 0 IFABMO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708832 556870360 /nfs/dbraw/zinc/87/03/60/556870360.db2.gz ZEEKQCPVVCBCPT-QGZVFWFLSA-N 1 1 429.590 2.691 40 0 IFABMO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708832 556870363 /nfs/dbraw/zinc/87/03/63/556870363.db2.gz ZEEKQCPVVCBCPT-QGZVFWFLSA-N 1 1 429.590 2.691 40 0 IFABMO CNc1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710893 556874874 /nfs/dbraw/zinc/87/48/74/556874874.db2.gz OAEWQYAMIJTMRP-HNNXBMFYSA-N 1 1 427.524 2.819 40 0 IFABMO CNc1nc(C2CCN(C(=O)[C@H](C)Oc3ccc(F)cc3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710893 556874878 /nfs/dbraw/zinc/87/48/78/556874878.db2.gz OAEWQYAMIJTMRP-HNNXBMFYSA-N 1 1 427.524 2.819 40 0 IFABMO CNc1nc(C2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710946 556875165 /nfs/dbraw/zinc/87/51/65/556875165.db2.gz LLYGVTLSRSESFZ-UHFFFAOYSA-N 1 1 448.571 2.653 40 0 IFABMO CNc1nc(C2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710946 556875169 /nfs/dbraw/zinc/87/51/69/556875169.db2.gz LLYGVTLSRSESFZ-UHFFFAOYSA-N 1 1 448.571 2.653 40 0 IFABMO COc1ccc(S(=O)(=O)N2CCC[C@H]2c2c(C[NH+](C)C)cnc3cc(C)nn32)cc1 ZINC000019743516 556888223 /nfs/dbraw/zinc/88/82/23/556888223.db2.gz IUFISKUDECHTNW-IBGZPJMESA-N 1 1 429.546 2.634 40 0 IFABMO CN(C)C(=O)c1cn(C)nc1CC1CC[NH+](CC(=O)Nc2ccc3ncccc3c2)CC1 ZINC000019756628 556900417 /nfs/dbraw/zinc/90/04/17/556900417.db2.gz DXOZRAARBOYTSR-UHFFFAOYSA-N 1 1 434.544 2.563 40 0 IFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2[C@H]2CCCN(c3nccc(C)n3)C2)on1 ZINC000072338462 556911110 /nfs/dbraw/zinc/91/11/10/556911110.db2.gz COAFXGCPLOCHBN-SFHVURJKSA-N 1 1 434.548 2.674 40 0 IFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2[C@@H]2CCCN(c3nccc(C)n3)C2)on1 ZINC000072338463 556911180 /nfs/dbraw/zinc/91/11/80/556911180.db2.gz COAFXGCPLOCHBN-GOSISDBHSA-N 1 1 434.548 2.674 40 0 IFABMO COC(=O)[C@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340236 556912359 /nfs/dbraw/zinc/91/23/59/556912359.db2.gz CEFIGYGDDALBDP-XXPWESIGSA-N 1 1 430.520 2.940 40 0 IFABMO COC(=O)[C@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340236 556912360 /nfs/dbraw/zinc/91/23/60/556912360.db2.gz CEFIGYGDDALBDP-XXPWESIGSA-N 1 1 430.520 2.940 40 0 IFABMO Cc1nc([C@H]2CCCN2C(=O)CC[N@H+](C)Cc2ccccn2)ncc1C(=O)N1CCCC1 ZINC000072345434 556916891 /nfs/dbraw/zinc/91/68/91/556916891.db2.gz LAMKRLPNIPQFBJ-OAQYLSRUSA-N 1 1 436.560 2.602 40 0 IFABMO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCC[N@@H+](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000072374866 556949338 /nfs/dbraw/zinc/94/93/38/556949338.db2.gz MXHQKFXWBIJUNG-FQEVSTJZSA-N 1 1 438.576 2.969 40 0 IFABMO CC[NH+]1CCN(C(=O)C[C@@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000019936215 556951177 /nfs/dbraw/zinc/95/11/77/556951177.db2.gz SZEVXHCCQOTCTB-QFIPXVFZSA-N 1 1 445.585 2.611 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(Nc3cnccn3)n2)ccc1OCC(N)=O ZINC000072375746 556952652 /nfs/dbraw/zinc/95/26/52/556952652.db2.gz AITRRPKHOZLHJR-SFHVURJKSA-N 1 1 434.500 2.825 40 0 IFABMO O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1nnc(CC[N@H+]2CCc3ccccc3C2)s1 ZINC000072391483 556962048 /nfs/dbraw/zinc/96/20/48/556962048.db2.gz BSOVVHDCRGFQGX-IBGZPJMESA-N 1 1 449.536 2.867 40 0 IFABMO Cc1cc(C[N@H+]2CCc3nc(C4CCN(C(=O)[C@@H]5CCCO5)CC4)[nH]c(=O)c3C2)cs1 ZINC000072398975 556971090 /nfs/dbraw/zinc/97/10/90/556971090.db2.gz LQZSTGWFTIEAIT-FQEVSTJZSA-N 1 1 442.585 2.583 40 0 IFABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 ZINC000585106308 557039958 /nfs/dbraw/zinc/03/99/58/557039958.db2.gz QNTDIRAFWUCSFC-MSOLQXFVSA-N 1 1 425.529 2.894 40 0 IFABMO COc1ccc(-c2ccc3c([C@H]4CN(C(=O)Cc5nc(C)no5)CCO4)[nH+]cn3c2)cc1 ZINC000585113177 557045096 /nfs/dbraw/zinc/04/50/96/557045096.db2.gz XBZHDQVOTTUVDM-HXUWFJFHSA-N 1 1 433.468 2.844 40 0 IFABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC000409393425 557097519 /nfs/dbraw/zinc/09/75/19/557097519.db2.gz WMJVICKQLRBRCO-UHFFFAOYSA-N 1 1 445.585 2.590 40 0 IFABMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 ZINC000096037790 557165126 /nfs/dbraw/zinc/16/51/26/557165126.db2.gz WONIEWAVEBRYDH-UHFFFAOYSA-N 1 1 446.555 2.869 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccccn4)CC3)c3ccccc32)CC1 ZINC000096052960 557166339 /nfs/dbraw/zinc/16/63/39/557166339.db2.gz XNIZCKIFAOLHSJ-FQEVSTJZSA-N 1 1 432.568 2.907 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)C4CCOCC4)CC3)c3ccccc32)CC1 ZINC000096052966 557166343 /nfs/dbraw/zinc/16/63/43/557166343.db2.gz ZTIKHFJORCLYEW-NRFANRHFSA-N 1 1 439.600 2.625 40 0 IFABMO Cc1nc(Cn2cnc(-c3nc(C(=O)N4CCC[N@H+](C)CC4)c4ccccn43)c2)cs1 ZINC000096155051 557179120 /nfs/dbraw/zinc/17/91/20/557179120.db2.gz NSVVNHKFIWXEKK-UHFFFAOYSA-N 1 1 435.557 2.789 40 0 IFABMO COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000096236467 557185314 /nfs/dbraw/zinc/18/53/14/557185314.db2.gz NWHFPEJZKCTXDU-GOSISDBHSA-N 1 1 425.529 2.957 40 0 IFABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(CC(=O)NCCc4nc5ccccc5[nH]4)C[C@@H]32)cc1 ZINC000585261487 557195149 /nfs/dbraw/zinc/19/51/49/557195149.db2.gz LLXVABFXGUNDEO-PQNGQFLHSA-N 1 1 447.583 2.650 40 0 IFABMO C[NH+]1CCN(C(=O)CC2(COc3ccccc3)CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000585269134 557210736 /nfs/dbraw/zinc/21/07/36/557210736.db2.gz KKDAACAEOOIVTC-UHFFFAOYSA-N 1 1 436.556 2.547 40 0 IFABMO C[NH+](C)CCOc1ccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)cc1 ZINC000585281953 557220780 /nfs/dbraw/zinc/22/07/80/557220780.db2.gz VNAZRVYXPHCRKI-GOTSBHOMSA-N 1 1 434.964 2.657 40 0 IFABMO CCOC(=O)N1CCC([N@H+]2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585282041 557221238 /nfs/dbraw/zinc/22/12/38/557221238.db2.gz GHUNRVRADDRBQE-FQEVSTJZSA-N 1 1 430.904 2.542 40 0 IFABMO CC(=O)N(C)[C@@H]1CO[C@@H]2CC[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C[C@@H]2C[C@@]1(C)O ZINC000585282215 557221735 /nfs/dbraw/zinc/22/17/35/557221735.db2.gz BSWNSLKXHZATBT-XOGRSFEHSA-N 1 1 444.616 2.784 40 0 IFABMO COCCN1C(=O)CCC[C@@H]2[C@H]1CCC[N@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585284026 557223409 /nfs/dbraw/zinc/22/34/09/557223409.db2.gz QQZOMQXTFHHEFS-FGZHOGPDSA-N 1 1 433.568 2.649 40 0 IFABMO O[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@]1(O)COc1cccc(F)c1 ZINC000585284210 557223804 /nfs/dbraw/zinc/22/38/04/557223804.db2.gz VTGBOJQCJLRMIN-DQEYMECFSA-N 1 1 444.547 2.677 40 0 IFABMO CC(C)Oc1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000220104848 557281405 /nfs/dbraw/zinc/28/14/05/557281405.db2.gz GXJLGLUKMFJEDZ-UHFFFAOYSA-N 1 1 445.585 2.584 40 0 IFABMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220503863 557297880 /nfs/dbraw/zinc/29/78/80/557297880.db2.gz IATZOMZEQMREIR-JOCHJYFZSA-N 1 1 429.586 2.884 40 0 IFABMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000014396546 557435240 /nfs/dbraw/zinc/43/52/40/557435240.db2.gz INALVLPQXAPVCO-UHFFFAOYSA-N 1 1 433.549 2.716 40 0 IFABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c12 ZINC000019822759 557507925 /nfs/dbraw/zinc/50/79/25/557507925.db2.gz DZTULODJHYRDQX-UHFFFAOYSA-N 1 1 430.618 2.891 40 0 IFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224392909 557601178 /nfs/dbraw/zinc/60/11/78/557601178.db2.gz KIUOFSDTCMERDO-UHFFFAOYSA-N 1 1 427.570 2.795 40 0 IFABMO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225180899 557696964 /nfs/dbraw/zinc/69/69/64/557696964.db2.gz NUMWEWUAFZCLMT-QFIPXVFZSA-N 1 1 445.585 2.584 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)ccc1OCCn1cnnc1 ZINC000585270029 568616834 /nfs/dbraw/zinc/61/68/34/568616834.db2.gz APYOQDFPZSEQMD-DEOSSOPVSA-N 1 1 438.528 2.772 40 0 IFABMO O[C@@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585274780 568618475 /nfs/dbraw/zinc/61/84/75/568618475.db2.gz NSMVFLMZRBQUPC-XMMPIXPASA-N 1 1 441.503 2.744 40 0 IFABMO O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585274780 568618477 /nfs/dbraw/zinc/61/84/77/568618477.db2.gz NSMVFLMZRBQUPC-XMMPIXPASA-N 1 1 441.503 2.744 40 0 IFABMO Cc1cccc(OC[C@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000585287875 568619317 /nfs/dbraw/zinc/61/93/17/568619317.db2.gz UGSKBENCGRUGSK-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCOC[C@](O)(COc4ccc(F)cc4)C3)CC2)cc1 ZINC000585287905 568619514 /nfs/dbraw/zinc/61/95/14/568619514.db2.gz USZSJEITCZIKIP-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO O=C(CC[NH+]1CCCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257201742 568666171 /nfs/dbraw/zinc/66/61/71/568666171.db2.gz AIWJHHUIAVKWMN-DGWZTRNLSA-N 1 1 443.632 2.552 40 0 IFABMO O=C(C[N@@H+]1CCC[C@H]1c1ccnc(-c2ccccn2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257209615 568669494 /nfs/dbraw/zinc/66/94/94/568669494.db2.gz BRCVYQKIZQSPSW-NRFANRHFSA-N 1 1 427.512 2.911 40 0 IFABMO O=C(C[N@H+]1CCC[C@H]1c1ccnc(-c2ccccn2)n1)NCCc1nc2ccccc2[nH]1 ZINC000257209615 568669496 /nfs/dbraw/zinc/66/94/96/568669496.db2.gz BRCVYQKIZQSPSW-NRFANRHFSA-N 1 1 427.512 2.911 40 0 IFABMO O=C(C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2)N1CC(=O)Nc2ccccc21 ZINC000257214435 568671737 /nfs/dbraw/zinc/67/17/37/568671737.db2.gz CLZVIERCVWZATM-UQBPGWFLSA-N 1 1 432.524 2.500 40 0 IFABMO O=C(C[N@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCCC(=O)N2)N1CC(=O)Nc2ccccc21 ZINC000257214435 568671739 /nfs/dbraw/zinc/67/17/39/568671739.db2.gz CLZVIERCVWZATM-UQBPGWFLSA-N 1 1 432.524 2.500 40 0 IFABMO CC(C)c1nc2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257227546 568677954 /nfs/dbraw/zinc/67/79/54/568677954.db2.gz FPVAPMHXTJBVPA-KJXAQDMKSA-N 1 1 428.577 2.670 40 0 IFABMO COCCN1C(=O)CCC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@H]21 ZINC000257228908 568678565 /nfs/dbraw/zinc/67/85/65/568678565.db2.gz FVUNRNBSXJFIMR-GHTZIAJQSA-N 1 1 445.604 2.698 40 0 IFABMO COc1ccc(C[N@H+](C)CC(=O)N2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257239928 568683752 /nfs/dbraw/zinc/68/37/52/568683752.db2.gz HRJZMRDAXZRXBV-OAQYLSRUSA-N 1 1 448.527 2.656 40 0 IFABMO COc1ccc(C[N@@H+](C)CC(=O)N2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257239928 568683753 /nfs/dbraw/zinc/68/37/53/568683753.db2.gz HRJZMRDAXZRXBV-OAQYLSRUSA-N 1 1 448.527 2.656 40 0 IFABMO C[N@H+]1CCN(C(=O)c2ccnc(N3CCOCC3)c2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257240367 568683986 /nfs/dbraw/zinc/68/39/86/568683986.db2.gz HTCYRJYPSIYJPJ-HXUWFJFHSA-N 1 1 445.567 2.713 40 0 IFABMO C[N@H+]1CCN(C(=O)c2ccnc(N3CCOCC3)c2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257240366 568684081 /nfs/dbraw/zinc/68/40/81/568684081.db2.gz HTCYRJYPSIYJPJ-FQEVSTJZSA-N 1 1 445.567 2.713 40 0 IFABMO Cc1nn(C)cc1S(=O)(=O)N1[C@@H]2CCC[C@@H]3[N@@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257291568 568707347 /nfs/dbraw/zinc/70/73/47/568707347.db2.gz QHOKMUIMQOMNSW-JIORRVSTSA-N 1 1 428.602 2.976 40 0 IFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@]2(C1)C/C=C/Cc1ccccc1OCC(=O)NC2 ZINC000257302151 568712232 /nfs/dbraw/zinc/71/22/32/568712232.db2.gz SBSHFRZIYVYPGE-GJCNFQEQSA-N 1 1 436.556 2.752 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CC3CC3)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 ZINC000257308537 568714968 /nfs/dbraw/zinc/71/49/68/568714968.db2.gz TXCPEOVZYDOJCG-RXVVDRJESA-N 1 1 433.980 2.900 40 0 IFABMO Cc1nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4ccc(=O)n(C)n4)CCO3)c2)sc1C ZINC000257317509 568718892 /nfs/dbraw/zinc/71/88/92/568718892.db2.gz VJZYUASDGHPQER-GOSISDBHSA-N 1 1 440.529 2.514 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ccccc3F)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257326886 568722984 /nfs/dbraw/zinc/72/29/84/568722984.db2.gz WZAITCVNYVCOOH-CVDCTZTESA-N 1 1 439.531 2.900 40 0 IFABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)cc1 ZINC000257334759 568726258 /nfs/dbraw/zinc/72/62/58/568726258.db2.gz YHGVFINLKLKZQE-WXFUMESZSA-N 1 1 434.540 2.920 40 0 IFABMO CCNC(=O)NC[C@@H]1CC[C@]2(COCC[N@H+](Cc3cc(C)ccc3Br)C2)O1 ZINC000306124255 568763191 /nfs/dbraw/zinc/76/31/91/568763191.db2.gz BKSDBFAZXMCGRK-PXNSSMCTSA-N 1 1 440.382 2.827 40 0 IFABMO CCNC(=O)NC[C@@H]1CC[C@]2(COCC[N@@H+](Cc3cc(C)ccc3Br)C2)O1 ZINC000306124255 568763192 /nfs/dbraw/zinc/76/31/92/568763192.db2.gz BKSDBFAZXMCGRK-PXNSSMCTSA-N 1 1 440.382 2.827 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4ccccc4OC)C[C@H]2C3)cc1 ZINC000306125782 568763970 /nfs/dbraw/zinc/76/39/70/568763970.db2.gz DCDCUXJHAJFNOC-MSOLQXFVSA-N 1 1 433.512 2.852 40 0 IFABMO O=C(NCCC[NH+]1CCOCC1)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 ZINC000306127982 568764908 /nfs/dbraw/zinc/76/49/08/568764908.db2.gz GMVNPFLLONFRMT-UHFFFAOYSA-N 1 1 444.539 2.698 40 0 IFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306131161 568766614 /nfs/dbraw/zinc/76/66/14/568766614.db2.gz JXXSZYZOVRJIED-HZPDHXFCSA-N 1 1 435.459 2.703 40 0 IFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccccc3OC)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134212 568768253 /nfs/dbraw/zinc/76/82/53/568768253.db2.gz NFUIVPCLJXCOLW-GBXCKJPGSA-N 1 1 426.561 2.937 40 0 IFABMO COc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306138894 568771098 /nfs/dbraw/zinc/77/10/98/568771098.db2.gz SKGZTOYPPFTCHU-RSXGOPAZSA-N 1 1 444.535 2.882 40 0 IFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3cccc(OC)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306139811 568771430 /nfs/dbraw/zinc/77/14/30/568771430.db2.gz UBKDJCLRXSRJOU-QPPBQGQZSA-N 1 1 426.561 2.937 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccc(OC)c4)C[C@H]2C3)cc1 ZINC000306141026 568771997 /nfs/dbraw/zinc/77/19/97/568771997.db2.gz VJHNNBAGNOQEGT-MSOLQXFVSA-N 1 1 433.512 2.852 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@H]1C[N@@H+](CC2CC2)C[C@@]2(CCN(Cc3ccccc3)C2)O1 ZINC000306141642 568772452 /nfs/dbraw/zinc/77/24/52/568772452.db2.gz WCSXLRUODRQFBH-RSXGOPAZSA-N 1 1 434.584 2.796 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@H]1CN(CC2CC2)C[C@@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000306141642 568772453 /nfs/dbraw/zinc/77/24/53/568772453.db2.gz WCSXLRUODRQFBH-RSXGOPAZSA-N 1 1 434.584 2.796 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@H]1CN(CC2CC2)C[C@@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000306141642 568772454 /nfs/dbraw/zinc/77/24/54/568772454.db2.gz WCSXLRUODRQFBH-RSXGOPAZSA-N 1 1 434.584 2.796 40 0 IFABMO COc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306142478 568772645 /nfs/dbraw/zinc/77/26/45/568772645.db2.gz XAIVECPQYJGDFL-ROUUACIJSA-N 1 1 433.512 2.852 40 0 IFABMO c1c([C@@H]2C[N@@H+](Cc3cccnc3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306142722 568772956 /nfs/dbraw/zinc/77/29/56/568772956.db2.gz XHLNYFJKLZSBHX-QHCPKHFHSA-N 1 1 432.572 2.835 40 0 IFABMO c1c([C@@H]2C[N@H+](Cc3cccnc3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306142722 568772958 /nfs/dbraw/zinc/77/29/58/568772958.db2.gz XHLNYFJKLZSBHX-QHCPKHFHSA-N 1 1 432.572 2.835 40 0 IFABMO Cc1cc(C)cc(C[N@H+]2CCc3nc4n(c(=O)c3C2)CC[C@@]42CCN(C(=O)NC(C)C)C2)c1 ZINC000306144854 568773842 /nfs/dbraw/zinc/77/38/42/568773842.db2.gz ZQHAXDNWMBJMIG-AREMUKBSSA-N 1 1 449.599 2.884 40 0 IFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306144415 568773879 /nfs/dbraw/zinc/77/38/79/568773879.db2.gz ZEPCGEWVVUXWIX-DVECYGJZSA-N 1 1 440.544 2.657 40 0 IFABMO c1ccc2c(c1)nc1n2[C@H]([C@@H]2CC=CCC2)NC2=NCN(CCC[NH+]3CCOCC3)CN12 ZINC000226313231 569182953 /nfs/dbraw/zinc/18/29/53/569182953.db2.gz KWRZLJDGRAGQCY-DENIHFKCSA-N 1 1 435.576 2.610 40 0 IFABMO CC[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000006953232 569218794 /nfs/dbraw/zinc/21/87/94/569218794.db2.gz ZDPUACFHLUSXQU-LJQANCHMSA-N 1 1 429.586 2.823 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1OC ZINC000012219507 569224924 /nfs/dbraw/zinc/22/49/24/569224924.db2.gz ONSYXVGVXIXUPS-IBGZPJMESA-N 1 1 437.544 2.964 40 0 IFABMO COc1ccc(CN2CCC[C@@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)cc1 ZINC000019699760 569230739 /nfs/dbraw/zinc/23/07/39/569230739.db2.gz UDEBDODHKIRRGI-HXUWFJFHSA-N 1 1 428.577 2.906 40 0 IFABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019702451 569232084 /nfs/dbraw/zinc/23/20/84/569232084.db2.gz GQPWTSABHUKTFG-INIZCTEOSA-N 1 1 439.585 2.811 40 0 IFABMO Cc1nn2c(nccc2[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1Cn1cc[nH+]c1C ZINC000019707970 569234654 /nfs/dbraw/zinc/23/46/54/569234654.db2.gz PSYWNTLKHHODQU-LJQANCHMSA-N 1 1 430.512 2.986 40 0 IFABMO C[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000028208808 569242766 /nfs/dbraw/zinc/24/27/66/569242766.db2.gz NSFQMQOERJPEBH-UHFFFAOYSA-N 1 1 427.570 2.535 40 0 IFABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)COc3ccccc3)CC2)cs1 ZINC000225467306 291344933 /nfs/dbraw/zinc/34/49/33/291344933.db2.gz FIFDOPZXMXBKGA-GOSISDBHSA-N 1 1 445.585 2.643 40 0 biogenic,in-vitro IFABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)COc3ccccc3)CC2)cs1 ZINC000225467306 291344935 /nfs/dbraw/zinc/34/49/35/291344935.db2.gz FIFDOPZXMXBKGA-GOSISDBHSA-N 1 1 445.585 2.643 40 0 biogenic,in-vitro IFABMO COc1ccc2c3c1O[C@]1(C)[C@H](OC(C)=O)C=C[C@@]4(Br)[C@H](C2)[N@@H+](C)CC[C@@]314 ZINC000096316407 291347148 /nfs/dbraw/zinc/34/71/48/291347148.db2.gz DOUIIQXGCWGWBD-AKJHWKIKSA-N 1 1 434.330 2.980 40 0 biogenic,in-vitro IFABMO CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc(N)c(C(=O)NCc3ccccc3)cc2C1 ZINC000072345687 522582112 /nfs/dbraw/zinc/58/21/12/522582112.db2.gz MPDVKPATHALUME-QGZVFWFLSA-N 1 1 446.555 2.574 40 0 IFABMO COC(=O)Cn1cc(C[N@H+]2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)c2ccccc21 ZINC000012117876 523395299 /nfs/dbraw/zinc/39/52/99/523395299.db2.gz YETLFRSGGURNGS-QGZVFWFLSA-N 1 1 449.555 2.692 40 0 IFABMO C[C@H]1Cc2cc(C(=O)N3CC[NH+](C)CC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448694 524979769 /nfs/dbraw/zinc/97/97/69/524979769.db2.gz DKWZRMPQJVJBEV-HNNXBMFYSA-N 1 1 433.961 2.868 40 0 IFABMO COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928963 525380291 /nfs/dbraw/zinc/38/02/91/525380291.db2.gz QMHVCKKLCWOWOC-BJKOFHAPSA-N 1 1 448.571 2.768 40 0 IFABMO O=C(C[N@@H+]1CCC[C@@H](c2ncncc2-c2ccncc2)C1)NCc1ccc2c(c1)OCO2 ZINC000012117178 526751995 /nfs/dbraw/zinc/75/19/95/526751995.db2.gz UUXXNOHRJKREHO-LJQANCHMSA-N 1 1 431.496 2.763 40 0 IFABMO O=C(C[N@H+]1CCC[C@@H](c2ncncc2-c2ccncc2)C1)NCc1ccc2c(c1)OCO2 ZINC000012117178 526752003 /nfs/dbraw/zinc/75/20/03/526752003.db2.gz UUXXNOHRJKREHO-LJQANCHMSA-N 1 1 431.496 2.763 40 0 IFABMO CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000408710119 556116942 /nfs/dbraw/zinc/11/69/42/556116942.db2.gz PCIWXWUEPQSGIO-FQEVSTJZSA-N 1 1 436.556 2.718 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000030851588 556508992 /nfs/dbraw/zinc/50/89/92/556508992.db2.gz XLWWWNRBKAYKLD-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000030873824 556514086 /nfs/dbraw/zinc/51/40/86/556514086.db2.gz YCKPDZBNTPRJRS-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1Br ZINC000036634039 556599295 /nfs/dbraw/zinc/59/92/95/556599295.db2.gz SAIYIUOOIZJUHC-LJQANCHMSA-N 1 1 428.330 2.899 40 0 IFABMO O=C(NC(=S)NCCC[NH+]1CCOCC1)c1cccc2c(Br)cccc12 ZINC000016431527 556607545 /nfs/dbraw/zinc/60/75/45/556607545.db2.gz XCMRRIBDENPKHT-UHFFFAOYSA-N 1 1 436.375 2.929 40 0 IFABMO CCc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(C)(=O)=O ZINC000044899989 556677002 /nfs/dbraw/zinc/67/70/02/556677002.db2.gz OGXRHYBSZVABIB-UHFFFAOYSA-N 1 1 426.542 2.826 40 0 IFABMO Cc1cccc(CS(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c1 ZINC000019235087 556719341 /nfs/dbraw/zinc/71/93/41/556719341.db2.gz SRTUUJMRTFHWBU-FQEVSTJZSA-N 1 1 430.574 2.512 40 0 IFABMO Cc1ccnc(N2CCC[C@@H](c3nc(N4CC[NH+](C)CC4)ncc3-c3ccncc3)C2)n1 ZINC000019238233 556723035 /nfs/dbraw/zinc/72/30/35/556723035.db2.gz WTBSGDJQRVCTKV-HXUWFJFHSA-N 1 1 430.560 2.773 40 0 IFABMO O=C(Cc1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019293717 556733215 /nfs/dbraw/zinc/73/32/15/556733215.db2.gz IUCSBGIFYVGUEQ-QFIPXVFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(Cc1cccc(F)c1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019293717 556733218 /nfs/dbraw/zinc/73/32/18/556733218.db2.gz IUCSBGIFYVGUEQ-QFIPXVFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1)C1CC1 ZINC000019341896 556740395 /nfs/dbraw/zinc/74/03/95/556740395.db2.gz LVIWRESYCXWKIC-CTNGQTDRSA-N 1 1 441.601 2.854 40 0 IFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)CCCO5)C3)[nH]c(=O)c2C1 ZINC000019345760 556742536 /nfs/dbraw/zinc/74/25/36/556742536.db2.gz VZIUIICUSXVTQK-HXUWFJFHSA-N 1 1 448.567 2.769 40 0 IFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccc5c(c4)CCCO5)C3)[nH]c(=O)c2C1 ZINC000019345762 556742586 /nfs/dbraw/zinc/74/25/86/556742586.db2.gz VZIUIICUSXVTQK-FQEVSTJZSA-N 1 1 448.567 2.769 40 0 IFABMO O=C(c1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019347549 556743056 /nfs/dbraw/zinc/74/30/56/556743056.db2.gz INHOSCYXIBVXFT-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019347549 556743058 /nfs/dbraw/zinc/74/30/58/556743058.db2.gz INHOSCYXIBVXFT-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(C[NH+]1CCC(c2nc(-c3ccncc3)n[nH]2)CC1)Nc1ccccc1N1CCOCC1 ZINC000019350001 556744777 /nfs/dbraw/zinc/74/47/77/556744777.db2.gz OCRFWZYCWHXKQS-UHFFFAOYSA-N 1 1 447.543 2.521 40 0 IFABMO O=C(c1ccccn1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019399990 556752523 /nfs/dbraw/zinc/75/25/23/556752523.db2.gz FKVFDMZFAUFBFZ-MRXNPFEDSA-N 1 1 435.553 2.805 40 0 IFABMO O=C1CCOC[C@]2(C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2cccnc2)N1 ZINC000019402006 556753773 /nfs/dbraw/zinc/75/37/73/556753773.db2.gz ORGPKIYPLQBYRW-AHWVRZQESA-N 1 1 444.535 2.930 40 0 IFABMO O=C(Cn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019406048 556755173 /nfs/dbraw/zinc/75/51/73/556755173.db2.gz CYBWXFGGUIBGGP-OAQYLSRUSA-N 1 1 438.576 2.659 40 0 IFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448196 556757667 /nfs/dbraw/zinc/75/76/67/556757667.db2.gz BLEVLBKHQRNMQF-IBGZPJMESA-N 1 1 434.537 2.591 40 0 IFABMO CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C[C@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000019524166 556781550 /nfs/dbraw/zinc/78/15/50/556781550.db2.gz QWPHMSAXUAZNNC-FXAWDEMLSA-N 1 1 436.560 2.678 40 0 IFABMO COc1ccc(C(=O)NC2CC[NH+](Cc3cc(-c4scnc4C)nn3C)CC2)cn1 ZINC000019562499 556803750 /nfs/dbraw/zinc/80/37/50/556803750.db2.gz YCLJFYYENVLTOT-UHFFFAOYSA-N 1 1 426.546 2.650 40 0 IFABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1OC ZINC000019567811 556807990 /nfs/dbraw/zinc/80/79/90/556807990.db2.gz ZBCCSNWSSVOMFL-INIZCTEOSA-N 1 1 429.517 2.668 40 0 IFABMO CNc1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019592378 556828554 /nfs/dbraw/zinc/82/85/54/556828554.db2.gz RWMPBYOBDQZTDK-RXVVDRJESA-N 1 1 426.540 2.828 40 0 IFABMO CNc1ncc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019592378 556828555 /nfs/dbraw/zinc/82/85/55/556828555.db2.gz RWMPBYOBDQZTDK-RXVVDRJESA-N 1 1 426.540 2.828 40 0 IFABMO COCc1ccc(OC)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c1 ZINC000019594329 556830031 /nfs/dbraw/zinc/83/00/31/556830031.db2.gz AZLMYHRTRNLUCM-QRQCMCJISA-N 1 1 443.544 2.769 40 0 IFABMO CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)C2)n1 ZINC000019693894 556848506 /nfs/dbraw/zinc/84/85/06/556848506.db2.gz BRQPEJGINVUMLP-GOSISDBHSA-N 1 1 441.551 2.777 40 0 IFABMO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@@H+](Cc1cccnc1)C2 ZINC000019695623 556852107 /nfs/dbraw/zinc/85/21/07/556852107.db2.gz NQNKJRVDHGLXGP-OAQYLSRUSA-N 1 1 432.503 2.894 40 0 IFABMO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)C[N@H+](Cc1cccnc1)C2 ZINC000019695623 556852110 /nfs/dbraw/zinc/85/21/10/556852110.db2.gz NQNKJRVDHGLXGP-OAQYLSRUSA-N 1 1 432.503 2.894 40 0 IFABMO CC(=O)NCc1ccc([C@H]2C[N@H+](Cc3c(C)nc4sccn34)C[C@@H]2C(=O)N(C)C)cc1 ZINC000019698744 556857745 /nfs/dbraw/zinc/85/77/45/556857745.db2.gz DWTVAOHMJLNVNJ-UXHICEINSA-N 1 1 439.585 2.644 40 0 IFABMO CN(Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(N)=O)cc1)C(=O)CCCc1nc2ccccc2[nH]1 ZINC000019699195 556858242 /nfs/dbraw/zinc/85/82/42/556858242.db2.gz AQMZEMSXRFLLJP-UXHICEINSA-N 1 1 433.556 2.675 40 0 IFABMO CN(Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(N)=O)cc1)C(=O)CCn1ccnc1-c1ccccc1 ZINC000019699239 556858551 /nfs/dbraw/zinc/85/85/51/556858551.db2.gz GIDRVBWTZXEGOL-PKTZIBPZSA-N 1 1 445.567 2.729 40 0 IFABMO CNc1nc([C@@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708564 556869605 /nfs/dbraw/zinc/86/96/05/556869605.db2.gz NOSPBMMRMZVIJP-QGZVFWFLSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc([C@@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708564 556869608 /nfs/dbraw/zinc/86/96/08/556869608.db2.gz NOSPBMMRMZVIJP-QGZVFWFLSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc([C@@H]2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710616 556874035 /nfs/dbraw/zinc/87/40/35/556874035.db2.gz LHBAHEDYBQGKBK-LJQANCHMSA-N 1 1 436.560 2.761 40 0 IFABMO CNc1nc(C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710892 556874850 /nfs/dbraw/zinc/87/48/50/556874850.db2.gz OAEWQYAMIJTMRP-OAHLLOKOSA-N 1 1 427.524 2.819 40 0 IFABMO CNc1nc(C2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710892 556874853 /nfs/dbraw/zinc/87/48/53/556874853.db2.gz OAEWQYAMIJTMRP-OAHLLOKOSA-N 1 1 427.524 2.819 40 0 IFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](C)C3)nc(N(C)CCOc3ccccc3F)c2C1 ZINC000019711322 556875428 /nfs/dbraw/zinc/87/54/28/556875428.db2.gz JTTPTZPROKAHKY-SFHVURJKSA-N 1 1 441.551 2.845 40 0 IFABMO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741251 556883125 /nfs/dbraw/zinc/88/31/25/556883125.db2.gz ZIFVEUQOTSIYQN-OAQYLSRUSA-N 1 1 449.599 2.965 40 0 IFABMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741251 556883127 /nfs/dbraw/zinc/88/31/27/556883127.db2.gz ZIFVEUQOTSIYQN-OAQYLSRUSA-N 1 1 449.599 2.965 40 0 IFABMO CNC(=O)c1cn(C)nc1CC1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000019756622 556900444 /nfs/dbraw/zinc/90/04/44/556900444.db2.gz HOHGIERECVHXMB-FQEVSTJZSA-N 1 1 431.968 2.517 40 0 IFABMO Cc1ncc(C(=O)N2CCCC2)c(CC2CCN(C(=O)C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000019757120 556901322 /nfs/dbraw/zinc/90/13/22/556901322.db2.gz OVQZSJCOEFBVJR-FQEVSTJZSA-N 1 1 427.593 2.677 40 0 IFABMO CN(C)c1ncccc1C[N@H+]1CC[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019761767 556905266 /nfs/dbraw/zinc/90/52/66/556905266.db2.gz RHEKNWFSANCDRA-SFHVURJKSA-N 1 1 433.556 2.750 40 0 IFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3C[C@@H](C)O[C@H](C)C3)nc2C1 ZINC000072335572 556908518 /nfs/dbraw/zinc/90/85/18/556908518.db2.gz QNUMIIOHSBFBEM-GVDBMIGSSA-N 1 1 440.544 2.761 40 0 IFABMO COC(=O)[C@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340240 556912132 /nfs/dbraw/zinc/91/21/32/556912132.db2.gz FXGCNPNVFBQWKA-BZEMNPKYSA-N 1 1 442.556 2.809 40 0 IFABMO COC(=O)Cn1cc(C[N@H+]2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)c2ccccc21 ZINC000072347481 556918598 /nfs/dbraw/zinc/91/85/98/556918598.db2.gz YETLFRSGGURNGS-KRWDZBQOSA-N 1 1 449.555 2.692 40 0 IFABMO CCOC(=O)[C@H](C)n1c2sc3c(c2c(=O)n(CC)c1=O)CC[N@@H+](Cc1ccccc1)C3 ZINC000019819682 556923035 /nfs/dbraw/zinc/92/30/35/556923035.db2.gz UBDRKDZAYYJRFN-HNNXBMFYSA-N 1 1 441.553 2.927 40 0 IFABMO CCOC(=O)[C@H](C)n1c2sc3c(c2c(=O)n(CC)c1=O)CC[N@H+](Cc1ccccc1)C3 ZINC000019819682 556923039 /nfs/dbraw/zinc/92/30/39/556923039.db2.gz UBDRKDZAYYJRFN-HNNXBMFYSA-N 1 1 441.553 2.927 40 0 IFABMO Cc1cc(Cc2ccccc2)cc([C@H]2CCC[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072353925 556928587 /nfs/dbraw/zinc/92/85/87/556928587.db2.gz XWCBYFGUHZEKEL-QHCPKHFHSA-N 1 1 434.584 2.884 40 0 IFABMO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000072392020 556963039 /nfs/dbraw/zinc/96/30/39/556963039.db2.gz LVPVDECLZUAJKD-GOSISDBHSA-N 1 1 430.549 2.680 40 0 IFABMO CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000072392020 556963041 /nfs/dbraw/zinc/96/30/41/556963041.db2.gz LVPVDECLZUAJKD-GOSISDBHSA-N 1 1 430.549 2.680 40 0 IFABMO CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cnn(CC)c2)CC3)CC1 ZINC000072398935 556971031 /nfs/dbraw/zinc/97/10/31/556971031.db2.gz MQFDDIAVDVOBTB-UHFFFAOYSA-N 1 1 440.592 2.687 40 0 IFABMO CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cnn(CC)c2)CC3)CC1 ZINC000072398935 556971035 /nfs/dbraw/zinc/97/10/35/556971035.db2.gz MQFDDIAVDVOBTB-UHFFFAOYSA-N 1 1 440.592 2.687 40 0 IFABMO COc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)cc1 ZINC000020044432 556972661 /nfs/dbraw/zinc/97/26/61/556972661.db2.gz MGQQJRPMIWLNIV-INIZCTEOSA-N 1 1 442.541 2.660 40 0 IFABMO O=C(N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CC3)C[C@@H]12)C1(c2cccc(Cl)c2)CC1 ZINC000585106104 557039469 /nfs/dbraw/zinc/03/94/69/557039469.db2.gz LWGVPCFVUJGNCK-UXHICEINSA-N 1 1 427.976 2.821 40 0 IFABMO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccco1)CC2 ZINC000096036913 557164157 /nfs/dbraw/zinc/16/41/57/557164157.db2.gz BJORZFXCMHJEOU-UHFFFAOYSA-N 1 1 426.542 2.910 40 0 IFABMO CC(C)CN1CC2(CC[NH+](Cc3cnn(C)c3)CC2)COc2ccccc2S1(=O)=O ZINC000096037153 557164162 /nfs/dbraw/zinc/16/41/62/557164162.db2.gz BZRMOTZMDJDENR-UHFFFAOYSA-N 1 1 432.590 2.742 40 0 IFABMO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccoc1)CC2 ZINC000096036915 557164237 /nfs/dbraw/zinc/16/42/37/557164237.db2.gz WLSZVQKLIDZRNV-UHFFFAOYSA-N 1 1 426.542 2.910 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cccnc4)CC3)c3ccccc32)CC1 ZINC000096052951 557166478 /nfs/dbraw/zinc/16/64/78/557166478.db2.gz RJEFCJPQNFBNSH-OAQYLSRUSA-N 1 1 432.568 2.907 40 0 IFABMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)NCc1ccccc1)CC2 ZINC000096143636 557170461 /nfs/dbraw/zinc/17/04/61/557170461.db2.gz UQDBJBVMWGEAGJ-XZOQPEGZSA-N 1 1 447.583 2.736 40 0 IFABMO Cc1ccc(S(=O)(=O)N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc1F ZINC000096239955 557185626 /nfs/dbraw/zinc/18/56/26/557185626.db2.gz GKGMVIMBDZIXRB-UHFFFAOYSA-N 1 1 433.549 2.832 40 0 IFABMO Cc1ccc(S(=O)(=O)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1F ZINC000096239955 557185628 /nfs/dbraw/zinc/18/56/28/557185628.db2.gz GKGMVIMBDZIXRB-UHFFFAOYSA-N 1 1 433.549 2.832 40 0 IFABMO Cc1cccc(NC(=O)N2CCC[C@]3(C(=O)N(C)C)C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC000096251297 557188277 /nfs/dbraw/zinc/18/82/77/557188277.db2.gz YMESLPSWEZOGEI-YKSBVNFPSA-N 1 1 438.576 2.563 40 0 IFABMO Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H]4CCCC[N@H+]4CCO)CC3)n2)s1 ZINC000585263371 557203968 /nfs/dbraw/zinc/20/39/68/557203968.db2.gz FWFLFWBNMVPRID-SFHVURJKSA-N 1 1 444.605 2.846 40 0 IFABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)cc1 ZINC000585270413 557214075 /nfs/dbraw/zinc/21/40/75/557214075.db2.gz WBZBVBPSTLSSCS-FQEVSTJZSA-N 1 1 428.529 2.568 40 0 IFABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCC(=O)N3CCCC3)cc2)cc1 ZINC000585270415 557214297 /nfs/dbraw/zinc/21/42/97/557214297.db2.gz WBZBVBPSTLSSCS-HXUWFJFHSA-N 1 1 428.529 2.568 40 0 IFABMO COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCN3CCCC3=O)cc2)c1 ZINC000585270149 557214316 /nfs/dbraw/zinc/21/43/16/557214316.db2.gz HIBZNLTZDILHKE-FQEVSTJZSA-N 1 1 428.529 2.568 40 0 IFABMO Cc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(OCCN4CCNC4=O)cc3)C[C@]2(C)O)c1 ZINC000585271444 557214643 /nfs/dbraw/zinc/21/46/43/557214643.db2.gz AAECXPUWVLBKOL-ZCYQVOJMSA-N 1 1 439.556 2.803 40 0 IFABMO CCOc1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585271784 557216155 /nfs/dbraw/zinc/21/61/55/557216155.db2.gz HMMXVBWRWBKMEE-QFIPXVFZSA-N 1 1 444.572 2.668 40 0 IFABMO O[C@H]1CCN(Cc2cccc(OCC[NH+]3CCCC3)c2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585283138 557222706 /nfs/dbraw/zinc/22/27/06/557222706.db2.gz QEROLWWMJAAYBZ-DQEYMECFSA-N 1 1 444.547 2.677 40 0 IFABMO Cc1cccc(OC[C@@]2(O)COCC[N@H+](CC3(O)CCN(c4cccc(C)c4)CC3)C2)c1 ZINC000585286057 557225283 /nfs/dbraw/zinc/22/52/83/557225283.db2.gz HDYIIFLKKJDPJT-SANMLTNESA-N 1 1 440.584 2.777 40 0 IFABMO CCOc1ccc([C@H](c2nnnn2CCOC)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928875 557276793 /nfs/dbraw/zinc/27/67/93/557276793.db2.gz OGRAYXBEHBXDNY-HSZRJFAPSA-N 1 1 436.560 2.625 40 0 IFABMO CSc1cccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000220064300 557279611 /nfs/dbraw/zinc/27/96/11/557279611.db2.gz NPPNCDUWGOZAMC-UHFFFAOYSA-N 1 1 433.599 2.519 40 0 IFABMO CCc1ccc(N([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000220270830 557289487 /nfs/dbraw/zinc/28/94/87/557289487.db2.gz TWZRHHHWJBWDPI-IBGZPJMESA-N 1 1 429.586 2.748 40 0 IFABMO CCOC(=O)c1sc(NC(=O)CN2CC[NH+](C)CC2)c(C(=O)Nc2ccccc2)c1C ZINC000023249126 557313736 /nfs/dbraw/zinc/31/37/36/557313736.db2.gz GTNNPGHHRQMZCE-UHFFFAOYSA-N 1 1 444.557 2.671 40 0 IFABMO Cc1ccccc1C[N@@H+]1C[C@@H]2c3nc(N4CCC[C@@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000107260549 557336326 /nfs/dbraw/zinc/33/63/26/557336326.db2.gz QJMIKQFMCAEVNH-TYCQWZJGSA-N 1 1 426.586 2.918 40 0 IFABMO Cc1ccccc1C[N@H+]1C[C@@H]2c3nc(N4CCC[C@@H](C)C4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000107260549 557336328 /nfs/dbraw/zinc/33/63/28/557336328.db2.gz QJMIKQFMCAEVNH-TYCQWZJGSA-N 1 1 426.586 2.918 40 0 IFABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000026109311 557439034 /nfs/dbraw/zinc/43/90/34/557439034.db2.gz LRVQTVOUQMWUPP-UHFFFAOYSA-N 1 1 448.416 2.699 40 0 IFABMO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCC2)s1)c1ccccc1Cl ZINC000223566070 557487107 /nfs/dbraw/zinc/48/71/07/557487107.db2.gz SRDYHKOPMJYGFX-UHFFFAOYSA-N 1 1 443.982 2.598 40 0 IFABMO COCCn1nnnc1[C@H](c1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019594086 557506399 /nfs/dbraw/zinc/50/63/99/557506399.db2.gz VDIRIHCOUWVBSF-NRFANRHFSA-N 1 1 426.952 2.880 40 0 IFABMO CCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000019824735 557508513 /nfs/dbraw/zinc/50/85/13/557508513.db2.gz SJTYKKQYHAIHJJ-UHFFFAOYSA-N 1 1 446.617 2.736 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225538199 557738481 /nfs/dbraw/zinc/73/84/81/557738481.db2.gz PMJBOHVPXLVSNJ-UYAOXDASSA-N 1 1 439.597 2.997 40 0 IFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000225554447 557741486 /nfs/dbraw/zinc/74/14/86/557741486.db2.gz BHSUKGMISTUFEU-QZTJIDSGSA-N 1 1 442.025 2.979 40 0 IFABMO CCn1c2ccc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2sc1=O ZINC000225698148 557765979 /nfs/dbraw/zinc/76/59/79/557765979.db2.gz CEOAQNATKSQLSI-UHFFFAOYSA-N 1 1 431.583 2.810 40 0 IFABMO Cc1cccc(N2CC[N@H+](C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C[C@@H]2C)c1 ZINC000060003657 557828129 /nfs/dbraw/zinc/82/81/29/557828129.db2.gz LHAIHZNXGFPJCX-JXQFQVJHSA-N 1 1 443.613 2.950 40 0 IFABMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000260746395 557852300 /nfs/dbraw/zinc/85/23/00/557852300.db2.gz ROBZABMRXRNJPE-HNNXBMFYSA-N 1 1 438.981 2.868 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000585262342 568616472 /nfs/dbraw/zinc/61/64/72/568616472.db2.gz QACFIILIKZWKMN-NGSHPTGOSA-N 1 1 429.520 2.819 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000585262342 568616475 /nfs/dbraw/zinc/61/64/75/568616475.db2.gz QACFIILIKZWKMN-NGSHPTGOSA-N 1 1 429.520 2.819 40 0 IFABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCOC[C@](O)(COc4ccccc4C)C3)CC2)c1 ZINC000585287818 568619336 /nfs/dbraw/zinc/61/93/36/568619336.db2.gz SMWBXZCVIPLJGA-SANMLTNESA-N 1 1 440.584 2.777 40 0 IFABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](Cc3ccnc(N4CCOCC4)n3)[C@H]1CCCC(=O)N2 ZINC000257200882 568665392 /nfs/dbraw/zinc/66/53/92/568665392.db2.gz AFFZLYRQMFIDBX-SLSDLSHTSA-N 1 1 435.572 2.558 40 0 IFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(=O)C(C)C)cc2)cc1 ZINC000257202160 568666085 /nfs/dbraw/zinc/66/60/85/568666085.db2.gz AKSVWSCHJCFCPY-DNQXCXABSA-N 1 1 437.584 2.972 40 0 IFABMO Cc1nc2cc(NC(=O)CN3CC[C@@]4(CCC[N@H+]4Cc4ccccc4)[C@@H](O)C3)ccc2n1C ZINC000257211039 568670109 /nfs/dbraw/zinc/67/01/09/568670109.db2.gz BXHLSKTWURPMKA-AHWVRZQESA-N 1 1 447.583 2.922 40 0 IFABMO CCn1cc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@H](Cc3cnccn3)C2)c(C)n1 ZINC000257210723 568670138 /nfs/dbraw/zinc/67/01/38/568670138.db2.gz BVVXIUFQZVVFPZ-QFIPXVFZSA-N 1 1 447.587 2.617 40 0 IFABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC[C@@H]2O)CC1 ZINC000257228403 568678240 /nfs/dbraw/zinc/67/82/40/568678240.db2.gz FTRRYKHSGFPMHA-PMACEKPBSA-N 1 1 445.947 2.730 40 0 IFABMO CC(C)n1nccc1NC(=O)C[N@@H+]1CCCC[C@H]1C1CCN(CC(=O)N2CCCC2)CC1 ZINC000257234653 568681396 /nfs/dbraw/zinc/68/13/96/568681396.db2.gz GUNQTPXKFBVCML-NRFANRHFSA-N 1 1 444.624 2.591 40 0 IFABMO CC(C)n1nccc1NC(=O)C[N@H+]1CCCC[C@H]1C1CCN(CC(=O)N2CCCC2)CC1 ZINC000257234653 568681398 /nfs/dbraw/zinc/68/13/98/568681398.db2.gz GUNQTPXKFBVCML-NRFANRHFSA-N 1 1 444.624 2.591 40 0 IFABMO COc1ccc(C[N@H+](C)CC(=O)N2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257239927 568683737 /nfs/dbraw/zinc/68/37/37/568683737.db2.gz HRJZMRDAXZRXBV-NRFANRHFSA-N 1 1 448.527 2.656 40 0 IFABMO COc1ccc(C[N@@H+](C)CC(=O)N2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 ZINC000257239927 568683740 /nfs/dbraw/zinc/68/37/40/568683740.db2.gz HRJZMRDAXZRXBV-NRFANRHFSA-N 1 1 448.527 2.656 40 0 IFABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1(c2cc(C)cc(C)c2)CCOCC1 ZINC000257251148 568689195 /nfs/dbraw/zinc/68/91/95/568689195.db2.gz JPPMPESDTHOFDS-DEOSSOPVSA-N 1 1 449.595 2.811 40 0 IFABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1(c2cc(C)cc(C)c2)CCOCC1 ZINC000257251148 568689198 /nfs/dbraw/zinc/68/91/98/568689198.db2.gz JPPMPESDTHOFDS-DEOSSOPVSA-N 1 1 449.595 2.811 40 0 IFABMO c1cn2nc(C[C@@H]3COCCN(Cc4ccccc4OCC[NH+]4CCCC4)C3)ccc2n1 ZINC000257255079 568690889 /nfs/dbraw/zinc/69/08/89/568690889.db2.gz KGACDFFDZQKAPH-NRFANRHFSA-N 1 1 435.572 2.895 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)Cc3ccccc3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257265965 568695909 /nfs/dbraw/zinc/69/59/09/568695909.db2.gz MBBDMXBYYFCPIP-UPVQGACJSA-N 1 1 435.568 2.689 40 0 IFABMO Cn1c2ccc(NC(=O)C[N@@H+]3CCOC[C@H](Cc4ccc5ccoc5c4)C3)cc2n(C)c1=O ZINC000257280984 568702346 /nfs/dbraw/zinc/70/23/46/568702346.db2.gz ONEVOOOZQLRHPD-GOSISDBHSA-N 1 1 448.523 2.753 40 0 IFABMO Cn1c2ccc(NC(=O)C[N@H+]3CCOC[C@H](Cc4ccc5ccoc5c4)C3)cc2n(C)c1=O ZINC000257280984 568702348 /nfs/dbraw/zinc/70/23/48/568702348.db2.gz ONEVOOOZQLRHPD-GOSISDBHSA-N 1 1 448.523 2.753 40 0 IFABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2CC(=O)Nc2ccn(C)n2)c1 ZINC000257293844 568708382 /nfs/dbraw/zinc/70/83/82/568708382.db2.gz QRKHYJARMCBBLG-YDHSSHFGSA-N 1 1 425.533 2.632 40 0 IFABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2CC(=O)Nc2ccn(C)n2)c1 ZINC000257293844 568708386 /nfs/dbraw/zinc/70/83/86/568708386.db2.gz QRKHYJARMCBBLG-YDHSSHFGSA-N 1 1 425.533 2.632 40 0 IFABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000257323113 568721340 /nfs/dbraw/zinc/72/13/40/568721340.db2.gz WIUQHFKVSYALCQ-VWLOTQADSA-N 1 1 435.572 2.920 40 0 IFABMO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000257323113 568721342 /nfs/dbraw/zinc/72/13/42/568721342.db2.gz WIUQHFKVSYALCQ-VWLOTQADSA-N 1 1 435.572 2.920 40 0 IFABMO Cc1cc(C(=O)N2CC[C@](O)(C[N@@H+](C)Cc3ccc(F)cc3)C2)nc(N2CCCCC2)n1 ZINC000257326394 568722878 /nfs/dbraw/zinc/72/28/78/568722878.db2.gz WXBMLAZOWYIILB-DEOSSOPVSA-N 1 1 441.551 2.623 40 0 IFABMO NCC1(C[NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218238644 568741084 /nfs/dbraw/zinc/74/10/84/568741084.db2.gz DTWOKSAOLIYTED-CVEARBPZSA-N 1 1 429.767 2.946 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccccc4OC)C[C@@H]2C3)cc1 ZINC000306125785 568763992 /nfs/dbraw/zinc/76/39/92/568763992.db2.gz DCDCUXJHAJFNOC-ZWKOTPCHSA-N 1 1 433.512 2.852 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@@H](C(=O)NCc2ccc(C)cc2)O3)s1 ZINC000306126505 568764289 /nfs/dbraw/zinc/76/42/89/568764289.db2.gz DXZPURSMFUJNNV-FQEVSTJZSA-N 1 1 441.597 2.987 40 0 IFABMO Cc1nc(CN2CCC[C@]3(C[N@H+](Cc4cccnc4)C[C@H]3c3ccnn3C)C2=O)cs1 ZINC000306129910 568765973 /nfs/dbraw/zinc/76/59/73/568765973.db2.gz IQHKVBBIZLIBKR-NZQKXSOJSA-N 1 1 436.585 2.988 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 ZINC000306133102 568767618 /nfs/dbraw/zinc/76/76/18/568767618.db2.gz MBYOJTOIWNKMCZ-IAGOWNOFSA-N 1 1 447.495 2.572 40 0 IFABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 ZINC000306133230 568767652 /nfs/dbraw/zinc/76/76/52/568767652.db2.gz MGBCMGLUDXOWNN-AHWVRZQESA-N 1 1 444.535 2.882 40 0 IFABMO CCNC(=O)NC[C@H]1CC[C@@]2(COCC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)O1 ZINC000306133321 568768005 /nfs/dbraw/zinc/76/80/05/568768005.db2.gz MIJADIWKIAQMDL-ZJSXRUAMSA-N 1 1 442.535 2.957 40 0 IFABMO CC(C)n1cc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 ZINC000306133773 568768205 /nfs/dbraw/zinc/76/82/05/568768205.db2.gz MVQLOZSXLGNLNT-ZCYQVOJMSA-N 1 1 446.555 2.651 40 0 IFABMO Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CC3(CCN(C(=O)Cc4ccccc4C)CC3)O2)cc1 ZINC000306136722 568769712 /nfs/dbraw/zinc/76/97/12/568769712.db2.gz QAZQGFVJEKWYKX-XMMPIXPASA-N 1 1 449.595 2.854 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@@H](C(=O)NCc2ccc(F)cc2)O3)s1 ZINC000306137738 568770243 /nfs/dbraw/zinc/77/02/43/568770243.db2.gz REPGDNCTMYCEJP-IBGZPJMESA-N 1 1 445.560 2.817 40 0 IFABMO COCCN1CC[C@]2(C[N@@H+](Cc3cccc(OC)c3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306139814 568771552 /nfs/dbraw/zinc/77/15/52/568771552.db2.gz UBKDJCLRXSRJOU-ZJSXRUAMSA-N 1 1 426.561 2.937 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cnn(C(C)C)c4)C[C@@H]2C3)cc1 ZINC000306139902 568771568 /nfs/dbraw/zinc/77/15/68/568771568.db2.gz UDPWPLOCSALNGT-ZWKOTPCHSA-N 1 1 435.532 2.621 40 0 IFABMO O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000306140373 568771758 /nfs/dbraw/zinc/77/17/58/568771758.db2.gz URJYPAPSZPUWLX-OAQYLSRUSA-N 1 1 428.945 2.716 40 0 IFABMO CCNC(=O)NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc(OC)c4ccccc34)C2)O1 ZINC000306142749 568772982 /nfs/dbraw/zinc/77/29/82/568772982.db2.gz XIHJODYWJCKRNN-DVECYGJZSA-N 1 1 427.545 2.918 40 0 IFABMO CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000306143707 568773404 /nfs/dbraw/zinc/77/34/04/568773404.db2.gz YKBLLGMLTPPINK-HSZRJFAPSA-N 1 1 426.540 2.570 40 0 IFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306144417 568773867 /nfs/dbraw/zinc/77/38/67/568773867.db2.gz ZEPCGEWVVUXWIX-YADARESESA-N 1 1 440.544 2.657 40 0 IFABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000247797109 569206233 /nfs/dbraw/zinc/20/62/33/569206233.db2.gz CZRQCSFQSMBRPC-IWQHBPENSA-N 1 1 433.556 2.888 40 0 IFABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000247797109 569206234 /nfs/dbraw/zinc/20/62/34/569206234.db2.gz CZRQCSFQSMBRPC-IWQHBPENSA-N 1 1 433.556 2.888 40 0 IFABMO CC[NH+]1CCN(C(=S)c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)CC1 ZINC000006953505 569218806 /nfs/dbraw/zinc/21/88/06/569218806.db2.gz SSYZOKCBNIPWBJ-UHFFFAOYSA-N 1 1 427.570 2.703 40 0 IFABMO c1csc(-c2nc(N3CC[N@H+]4CCC[C@H]4C3)ncc2-c2ccnc(N3CCOCC3)n2)c1 ZINC000019343940 569226424 /nfs/dbraw/zinc/22/64/24/569226424.db2.gz WSNCAAHOMQIZCO-KRWDZBQOSA-N 1 1 449.584 2.783 40 0 IFABMO CCOc1ccc(C[N@H+]2CC[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1CO ZINC000019694964 569229412 /nfs/dbraw/zinc/22/94/12/569229412.db2.gz SYIZSTYPHYJGSC-GOSISDBHSA-N 1 1 434.544 2.880 40 0 IFABMO O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2cccnc2)CC1 ZINC000019699310 569230380 /nfs/dbraw/zinc/23/03/80/569230380.db2.gz QHNJYYHYNWNFPU-UHFFFAOYSA-N 1 1 447.583 2.675 40 0 IFABMO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccccn2)CC1 ZINC000019699499 569230562 /nfs/dbraw/zinc/23/05/62/569230562.db2.gz ZJDMPSKQRKHSPQ-UHFFFAOYSA-N 1 1 433.556 2.633 40 0 IFABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)CCO)C1 ZINC000019702450 569232050 /nfs/dbraw/zinc/23/20/50/569232050.db2.gz GQPWTSABHUKTFG-MRXNPFEDSA-N 1 1 439.585 2.811 40 0 IFABMO CC(C)N1C[C@@H](C(=O)NCc2cnn(-c3ccccc3)c2[C@@H]2CC[N@H+](C(C)C)C2)CC1=O ZINC000019707914 569234539 /nfs/dbraw/zinc/23/45/39/569234539.db2.gz NTBHFSUZDNIRTC-UXHICEINSA-N 1 1 437.588 2.943 40 0 IFABMO Cc1nn2c(nccc2[C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)c1Cn1cc[nH+]c1C ZINC000019707764 569234628 /nfs/dbraw/zinc/23/46/28/569234628.db2.gz NCHJQRIFHMRQTR-JOCHJYFZSA-N 1 1 448.502 2.873 40 0 IFABMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000060643662 569249898 /nfs/dbraw/zinc/24/98/98/569249898.db2.gz BHSUKGMISTUFEU-ZWKOTPCHSA-N 1 1 442.025 2.979 40 0 IFABMO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](C4CCCC4)C[C@@H]13)O2 ZINC000253406226 569265305 /nfs/dbraw/zinc/26/53/05/569265305.db2.gz UJDGLBWYACOZLE-ONTIZHBOSA-N 1 1 441.572 2.592 40 0 IFABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2=O ZINC000019699653 569327033 /nfs/dbraw/zinc/32/70/33/569327033.db2.gz WPBHDOYBMSLLAL-QFIPXVFZSA-N 1 1 446.551 2.878 40 0 IFABMO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(C3CC3)[nH+]c(NC3CCCCC3)n1)CC2 ZINC000329001642 569583126 /nfs/dbraw/zinc/58/31/26/569583126.db2.gz KFLZIVKSQIBIIT-UHFFFAOYSA-N 1 1 427.574 3.309 40 0 IFABMO C[NH+]1CCN(Cc2nc(C3(O)CCN(C(=O)Nc4cccc(F)c4)CC3)cs2)CC1 ZINC000225472526 291343446 /nfs/dbraw/zinc/34/34/46/291343446.db2.gz HYIAGGOIMWDBAF-UHFFFAOYSA-N 1 1 433.553 2.545 40 0 biogenic,in-vitro IFABMO O=C(NCc1cccnc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008254153 291350145 /nfs/dbraw/zinc/35/01/45/291350145.db2.gz FYZUHBPYIPHADI-LSWJPFSZSA-N 1 1 448.596 2.992 40 0 biogenic,in-vitro IFABMO COc1cc(C(=O)NC2CC[NH+](CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc(OC)c1OC ZINC000012644603 522103578 /nfs/dbraw/zinc/10/35/78/522103578.db2.gz BPSKNEBUBBKMJO-VQIMIIECSA-N 1 1 447.576 2.602 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000020486663 527369387 /nfs/dbraw/zinc/36/93/87/527369387.db2.gz LGMUUFFQKFZJPD-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000020452793 527369676 /nfs/dbraw/zinc/36/96/76/527369676.db2.gz VLMHTIZMNQWOOS-UHFFFAOYSA-N 1 1 432.933 2.917 40 0 IFABMO CCSc1nnc([C@@H]2CCC[N@H+](CC(=O)N3CCN(c4ccccc4)CC3)C2)n1CC ZINC000013565185 535388814 /nfs/dbraw/zinc/38/88/14/535388814.db2.gz OXEDCSQECQJCGQ-LJQANCHMSA-N 1 1 442.633 2.938 40 0 IFABMO CCSc1nnc([C@@H]2CCC[N@@H+](CC(=O)N3CCN(c4ccccc4)CC3)C2)n1CC ZINC000013565185 535388820 /nfs/dbraw/zinc/38/88/20/535388820.db2.gz OXEDCSQECQJCGQ-LJQANCHMSA-N 1 1 442.633 2.938 40 0 IFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000034838061 555914471 /nfs/dbraw/zinc/91/44/71/555914471.db2.gz ZPUIQBHQSAJUFT-QSNWEANLSA-N 1 1 425.847 2.910 40 0 IFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000034838061 555914473 /nfs/dbraw/zinc/91/44/73/555914473.db2.gz ZPUIQBHQSAJUFT-QSNWEANLSA-N 1 1 425.847 2.910 40 0 IFABMO C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408589403 555940066 /nfs/dbraw/zinc/94/00/66/555940066.db2.gz FKGVDMHUXBFOTA-LJQANCHMSA-N 1 1 437.565 2.851 40 0 IFABMO COc1ccc2c3c1O[C@@H]1[C@H](Oc4nnnn4-c4ccccc4)C=C[C@@H]4[C@H](C2)[N@H+](C)CC[C@@]314 ZINC000005432881 556052624 /nfs/dbraw/zinc/05/26/24/556052624.db2.gz UPQLBICYPVVGMW-WYKNMPDOSA-N 1 1 443.507 2.564 40 0 IFABMO CCCNC(=O)OCC[NH+](CCOC(=O)NCCC)CCc1cccc(OC)c1OC ZINC000005760307 556065093 /nfs/dbraw/zinc/06/50/93/556065093.db2.gz VQDLZWRXNUNXQP-UHFFFAOYSA-N 1 1 439.553 2.821 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000038755351 556617486 /nfs/dbraw/zinc/61/74/86/556617486.db2.gz KPFGRNZXEUJGPT-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)[N@H+]2C1 ZINC000514290325 556626539 /nfs/dbraw/zinc/62/65/39/556626539.db2.gz XKBSDZZMVRBENA-LEWJYISDSA-N 1 1 432.490 2.606 40 0 biogenic,in-vitro IFABMO O=C(C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000016941414 556649600 /nfs/dbraw/zinc/64/96/00/556649600.db2.gz FUHORYXMCREXLF-QPJJXVBHSA-N 1 1 437.559 2.967 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000044899764 556676416 /nfs/dbraw/zinc/67/64/16/556676416.db2.gz ZYOQPYJWRAUYSJ-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)cc1 ZINC000044900226 556677114 /nfs/dbraw/zinc/67/71/14/556677114.db2.gz AMXPXWYJQNTPKZ-UHFFFAOYSA-N 1 1 442.541 2.662 40 0 IFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCC[N@@H+](Cc3cnc(N(C)C)nc3)C1)O2 ZINC000019019617 556693017 /nfs/dbraw/zinc/69/30/17/556693017.db2.gz ZYTHJMACCLXDJV-XXBNENTESA-N 1 1 439.560 2.573 40 0 IFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCC[N@@H+](Cc3cnc(N(C)C)nc3)C1)O2 ZINC000019019612 556693067 /nfs/dbraw/zinc/69/30/67/556693067.db2.gz ZYTHJMACCLXDJV-AUSIDOKSSA-N 1 1 439.560 2.573 40 0 IFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)on1 ZINC000019118762 556700528 /nfs/dbraw/zinc/70/05/28/556700528.db2.gz CPQQYKGTNFFAGH-LJQANCHMSA-N 1 1 448.575 2.983 40 0 IFABMO Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CC[N@@H+](C)Cc4ccccn4)C3)c2N)cc1 ZINC000019213188 556710716 /nfs/dbraw/zinc/71/07/16/556710716.db2.gz FLMJSSCGSJWKHC-LJQANCHMSA-N 1 1 446.555 2.711 40 0 IFABMO Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CC[N@H+](C)Cc4ccccn4)C3)c2N)cc1 ZINC000019213188 556710718 /nfs/dbraw/zinc/71/07/18/556710718.db2.gz FLMJSSCGSJWKHC-LJQANCHMSA-N 1 1 446.555 2.711 40 0 IFABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)cc1 ZINC000257291725 556716317 /nfs/dbraw/zinc/71/63/17/556716317.db2.gz QIIXCDJOWFKYRA-TWJOJJKGSA-N 1 1 449.595 2.844 40 0 IFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](Cc4cccc(F)c4F)C3)nc2C1 ZINC000019292708 556732173 /nfs/dbraw/zinc/73/21/73/556732173.db2.gz LUQGAIBFTUWCJA-INIZCTEOSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CC[N@H+](Cc4cccc(F)c4F)C3)nc2C1 ZINC000019292708 556732176 /nfs/dbraw/zinc/73/21/76/556732176.db2.gz LUQGAIBFTUWCJA-INIZCTEOSA-N 1 1 428.483 2.722 40 0 IFABMO NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)no2)C1 ZINC000019292859 556732402 /nfs/dbraw/zinc/73/24/02/556732402.db2.gz UFWIDMASCPWUSJ-INIZCTEOSA-N 1 1 432.471 2.670 40 0 IFABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1)C1CC1 ZINC000019341904 556740387 /nfs/dbraw/zinc/74/03/87/556740387.db2.gz LVIWRESYCXWKIC-FPOVZHCZSA-N 1 1 441.601 2.854 40 0 IFABMO O=C(C[N@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(c2ccncc2)CC1 ZINC000019405047 556754909 /nfs/dbraw/zinc/75/49/09/556754909.db2.gz MQOIXESPTKEOKJ-QFIPXVFZSA-N 1 1 449.599 2.950 40 0 IFABMO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)cc1 ZINC000019453258 556763923 /nfs/dbraw/zinc/76/39/23/556763923.db2.gz CIHYLNRTAJBKAB-OAQYLSRUSA-N 1 1 444.601 2.938 40 0 IFABMO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)cc1 ZINC000019453258 556763926 /nfs/dbraw/zinc/76/39/26/556763926.db2.gz CIHYLNRTAJBKAB-OAQYLSRUSA-N 1 1 444.601 2.938 40 0 IFABMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019453230 556763974 /nfs/dbraw/zinc/76/39/74/556763974.db2.gz AOVVKESKLHREBX-LJQANCHMSA-N 1 1 444.601 2.591 40 0 IFABMO C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459057 556766473 /nfs/dbraw/zinc/76/64/73/556766473.db2.gz FTQUUPWIGVPNNY-RXVVDRJESA-N 1 1 443.551 2.843 40 0 IFABMO C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459057 556766475 /nfs/dbraw/zinc/76/64/75/556766475.db2.gz FTQUUPWIGVPNNY-RXVVDRJESA-N 1 1 443.551 2.843 40 0 IFABMO C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459053 556766537 /nfs/dbraw/zinc/76/65/37/556766537.db2.gz FTQUUPWIGVPNNY-GHTZIAJQSA-N 1 1 443.551 2.843 40 0 IFABMO C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459053 556766539 /nfs/dbraw/zinc/76/65/39/556766539.db2.gz FTQUUPWIGVPNNY-GHTZIAJQSA-N 1 1 443.551 2.843 40 0 IFABMO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019499388 556771490 /nfs/dbraw/zinc/77/14/90/556771490.db2.gz KEVVMLYFPQQZKR-HRAATJIYSA-N 1 1 440.544 2.742 40 0 IFABMO CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCC(C)CC3)[nH]c(=O)c2C1 ZINC000019524161 556781637 /nfs/dbraw/zinc/78/16/37/556781637.db2.gz MNLNFBHUHGIYTK-UHYCVJNDSA-N 1 1 438.576 2.900 40 0 IFABMO CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)ccc1OC ZINC000019532121 556792517 /nfs/dbraw/zinc/79/25/17/556792517.db2.gz OOKKTSMASJGLIG-PRCFCKQXSA-N 1 1 429.517 2.631 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc(OC)c1OC ZINC000019549749 556794712 /nfs/dbraw/zinc/79/47/12/556794712.db2.gz BLMALLFRWDGVAD-MRXNPFEDSA-N 1 1 437.500 2.632 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4cnccn4)n3)C2)cc(OC)c1OC ZINC000019549751 556794781 /nfs/dbraw/zinc/79/47/81/556794781.db2.gz BLMALLFRWDGVAD-INIZCTEOSA-N 1 1 437.500 2.632 40 0 IFABMO Cc1nonc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019558780 556800753 /nfs/dbraw/zinc/80/07/53/556800753.db2.gz PIWWKTGLJZCROF-GOSISDBHSA-N 1 1 426.521 2.932 40 0 IFABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1OC ZINC000019567807 556807752 /nfs/dbraw/zinc/80/77/52/556807752.db2.gz ZBCCSNWSSVOMFL-MRXNPFEDSA-N 1 1 429.517 2.668 40 0 IFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)C1(c3ccccc3)CCOCC1)C2 ZINC000019708785 556870210 /nfs/dbraw/zinc/87/02/10/556870210.db2.gz JKNJINJWAWHBEA-IBGZPJMESA-N 1 1 449.599 2.961 40 0 IFABMO CNc1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)n1 ZINC000019709986 556871645 /nfs/dbraw/zinc/87/16/45/556871645.db2.gz GRYXHIASANSUTQ-OAQYLSRUSA-N 1 1 436.604 2.823 40 0 IFABMO CNc1nc(C2CCN(C(=O)CCN(C)c3cccc(F)c3)CC2)nc2c1CC[N@H+](C)C2 ZINC000019710956 556875197 /nfs/dbraw/zinc/87/51/97/556875197.db2.gz YORNFBZVPSMRNA-UHFFFAOYSA-N 1 1 440.567 2.878 40 0 IFABMO CNc1nc(C2CCN(C(=O)CCN(C)c3cccc(F)c3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000019710956 556875200 /nfs/dbraw/zinc/87/52/00/556875200.db2.gz YORNFBZVPSMRNA-UHFFFAOYSA-N 1 1 440.567 2.878 40 0 IFABMO COc1ccc(NC(=O)c2cnc([C@@H]3CCN(C(=O)CCn4cc[nH+]c4C)C3)nc2C)cc1 ZINC000019766147 556911384 /nfs/dbraw/zinc/91/13/84/556911384.db2.gz UVGZOBDYDJNSDV-GOSISDBHSA-N 1 1 448.527 2.957 40 0 IFABMO CC(=O)N1CCN(c2nc(-c3ccccn3)nc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC000072339917 556911801 /nfs/dbraw/zinc/91/18/01/556911801.db2.gz PUFDACUFPBIYHX-UHFFFAOYSA-N 1 1 428.540 2.765 40 0 IFABMO CC(=O)N1CCN(c2nc(-c3ccccn3)nc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000072339917 556911802 /nfs/dbraw/zinc/91/18/02/556911802.db2.gz PUFDACUFPBIYHX-UHFFFAOYSA-N 1 1 428.540 2.765 40 0 IFABMO COC(=O)[C@@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340237 556912230 /nfs/dbraw/zinc/91/22/30/556912230.db2.gz CEFIGYGDDALBDP-AYFLJRIOSA-N 1 1 430.520 2.940 40 0 IFABMO COC(=O)[C@@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340237 556912236 /nfs/dbraw/zinc/91/22/36/556912236.db2.gz CEFIGYGDDALBDP-AYFLJRIOSA-N 1 1 430.520 2.940 40 0 IFABMO CC[NH+]1CCN(C(=O)C[C@H](c2ccc(OC)cc2)N(C)S(=O)(=O)c2ccccc2)CC1 ZINC000019936213 556951215 /nfs/dbraw/zinc/95/12/15/556951215.db2.gz SZEVXHCCQOTCTB-JOCHJYFZSA-N 1 1 445.585 2.611 40 0 IFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(C(=O)c1cccc(N3CCCC3=O)c1)C2 ZINC000072376526 556955156 /nfs/dbraw/zinc/95/51/56/556955156.db2.gz ADMLNUWZEDNBNH-GOSISDBHSA-N 1 1 448.571 2.653 40 0 IFABMO Cc1cc(C[N@H+]2CCc3nc(C4CCN(C(=O)[C@H]5CCCO5)CC4)[nH]c(=O)c3C2)cs1 ZINC000072398976 556971250 /nfs/dbraw/zinc/97/12/50/556971250.db2.gz LQZSTGWFTIEAIT-HXUWFJFHSA-N 1 1 442.585 2.583 40 0 IFABMO COc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2OC)cc1 ZINC000409234328 557025557 /nfs/dbraw/zinc/02/55/57/557025557.db2.gz ZJOKAITWWMJYIZ-UHFFFAOYSA-N 1 1 429.542 2.644 40 0 IFABMO COc1ccc(CCC(=O)N2CCC[C@]3(CCC[N@H+]3CC(=O)N(C)C)CC2)c(OC)c1 ZINC000585100092 557033764 /nfs/dbraw/zinc/03/37/64/557033764.db2.gz FQGKOVOTVWUQEH-DEOSSOPVSA-N 1 1 431.577 2.572 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000409257573 557035387 /nfs/dbraw/zinc/03/53/87/557035387.db2.gz TWAQDUKUARCAMB-UHFFFAOYSA-N 1 1 445.585 2.671 40 0 IFABMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104540 557037594 /nfs/dbraw/zinc/03/75/94/557037594.db2.gz QADCGHFHNREWRI-FKBYEOEOSA-N 1 1 436.618 2.623 40 0 IFABMO COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](C[N@@H+](C)[C@H]4CC[C@H](O)CC4)C3)CC2)c1 ZINC000585105081 557037816 /nfs/dbraw/zinc/03/78/16/557037816.db2.gz XONMDJRPFWEQCI-TXTKFYIRSA-N 1 1 446.588 2.950 40 0 IFABMO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cc(OC)ccc3F)C[C@@H]21 ZINC000585109785 557042158 /nfs/dbraw/zinc/04/21/58/557042158.db2.gz UIFSWMLZQWFFLA-AWRGLXIESA-N 1 1 428.504 2.884 40 0 IFABMO O=C(Cc1ccccn1)NC[C@H]1CC[C@H]2CN(C(=O)c3cccnc3)c3ccccc3C[N@@H+]12 ZINC000585110220 557043370 /nfs/dbraw/zinc/04/33/70/557043370.db2.gz YGHMNTKMCVAUNJ-PKTZIBPZSA-N 1 1 441.535 2.829 40 0 IFABMO O=C(NCCC[NH+]1CCOCC1)c1nc(-c2cn(Cc3ccccc3)cn2)n2ccccc12 ZINC000096037953 557165798 /nfs/dbraw/zinc/16/57/98/557165798.db2.gz URJSIXDATCDCMK-UHFFFAOYSA-N 1 1 444.539 2.698 40 0 IFABMO CCN1CC[C@@]2(C[N@@H+](CC(C)C)CC23CCN(S(=O)(=O)c2cccs2)CC3)C1=O ZINC000096144348 557172440 /nfs/dbraw/zinc/17/24/40/557172440.db2.gz ZTZNEBWMFZVUQX-OAQYLSRUSA-N 1 1 439.647 2.729 40 0 IFABMO CC[N@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)Nc3cccc(Cl)c3)CC[C@@H]12 ZINC000096145327 557174627 /nfs/dbraw/zinc/17/46/27/557174627.db2.gz QUQRFCIDYMHJKI-DENIHFKCSA-N 1 1 434.968 2.907 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3cccnc3)cn21 ZINC000096156799 557182028 /nfs/dbraw/zinc/18/20/28/557182028.db2.gz OYHADKCVMADNJZ-JOCHJYFZSA-N 1 1 447.587 2.574 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3ccncc3)cn21 ZINC000096156813 557182243 /nfs/dbraw/zinc/18/22/43/557182243.db2.gz ICEBMFORFHMYJE-JOCHJYFZSA-N 1 1 447.587 2.574 40 0 IFABMO CCN1CC[C@@]2(C[N@@H+](CCOC)CC23CCN(C(=O)c2ccc(C)c(C)c2)CC3)C1=O ZINC000096262795 557190410 /nfs/dbraw/zinc/19/04/10/557190410.db2.gz NWAJOMFSJGLGDJ-RUZDIDTESA-N 1 1 427.589 2.726 40 0 IFABMO CCCCNC(=O)N1CCC2(C[N@@H+](Cc3cccnc3)C[C@]23CCN(CC)C3=O)CC1 ZINC000096262815 557190428 /nfs/dbraw/zinc/19/04/28/557190428.db2.gz ZLBORVHKYRTCOF-DEOSSOPVSA-N 1 1 427.593 2.728 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1cocn1 ZINC000585262186 557201258 /nfs/dbraw/zinc/20/12/58/557201258.db2.gz QFDWTGDQYWTWOF-LGKPFJOYSA-N 1 1 437.471 2.551 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1cocn1 ZINC000585262186 557201260 /nfs/dbraw/zinc/20/12/60/557201260.db2.gz QFDWTGDQYWTWOF-LGKPFJOYSA-N 1 1 437.471 2.551 40 0 IFABMO O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025460208 557211038 /nfs/dbraw/zinc/21/10/38/557211038.db2.gz JLZBSOJZQWDVQD-OAQYLSRUSA-N 1 1 447.988 2.838 40 0 IFABMO Cc1cc(OCC2(O)CC[NH+](CC(=O)NCc3ccc(CO)cc3)CC2)cc(C)c1Cl ZINC000585273323 557215237 /nfs/dbraw/zinc/21/52/37/557215237.db2.gz ZQVDHCYUZJHMOM-UHFFFAOYSA-N 1 1 446.975 2.971 40 0 IFABMO CCOC(=O)N1CCC(O)(C[N@H+]2[C@@H](c3ccccc3)C[C@]3(C)[C@H]2CCC[C@@H](O)[C@@H]3O)CC1 ZINC000585284063 557223461 /nfs/dbraw/zinc/22/34/61/557223461.db2.gz RCFZRHCTANBONE-SWAMLEPWSA-N 1 1 446.588 2.697 40 0 IFABMO Cc1ccc(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCN(c4cccc(C)c4)CC3)C2)cc1 ZINC000585285058 557224760 /nfs/dbraw/zinc/22/47/60/557224760.db2.gz VQJCHZHNEOKSFV-SANMLTNESA-N 1 1 440.584 2.777 40 0 IFABMO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)C2)c1 ZINC000585286841 557225532 /nfs/dbraw/zinc/22/55/32/557225532.db2.gz JKYUVRPUHQAHJS-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO CCOCCCNC(=O)C[N@@H+]1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000057743940 557258124 /nfs/dbraw/zinc/25/81/24/557258124.db2.gz GTYSEBNXUVPXJP-SFHVURJKSA-N 1 1 440.548 2.723 40 0 IFABMO CCOCCCNC(=O)C[N@H+]1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000057743940 557258126 /nfs/dbraw/zinc/25/81/26/557258126.db2.gz GTYSEBNXUVPXJP-SFHVURJKSA-N 1 1 440.548 2.723 40 0 IFABMO COc1ccccc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022928980 557277071 /nfs/dbraw/zinc/27/70/71/557277071.db2.gz LRFBUIWOKZSDOB-URXFXBBRSA-N 1 1 448.571 2.768 40 0 IFABMO Fc1ccccc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022929039 557277250 /nfs/dbraw/zinc/27/72/50/557277250.db2.gz GYHPIIOOROCYOB-REWPJTCUSA-N 1 1 436.535 2.898 40 0 IFABMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](CC)CC2)c2ccc(F)cc2)cc1 ZINC000113936637 557310334 /nfs/dbraw/zinc/31/03/34/557310334.db2.gz YYSHMKMZHQYHQD-UHFFFAOYSA-N 1 1 449.548 2.584 40 0 IFABMO COc1ccc(N(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000222601124 557359571 /nfs/dbraw/zinc/35/95/71/557359571.db2.gz DEFZOKYXGBHBDJ-UHFFFAOYSA-N 1 1 445.585 2.586 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000223573508 557487753 /nfs/dbraw/zinc/48/77/53/557487753.db2.gz VDKDAFNKFGDWFH-UHFFFAOYSA-N 1 1 446.960 2.912 40 0 IFABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019568118 557500921 /nfs/dbraw/zinc/50/09/21/557500921.db2.gz ZPKFAPPQBZCQKU-JOCHJYFZSA-N 1 1 435.576 2.973 40 0 IFABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019522964 557501419 /nfs/dbraw/zinc/50/14/19/557501419.db2.gz PVRHJQHVYVUQPP-JOCHJYFZSA-N 1 1 435.576 2.919 40 0 IFABMO Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2C)cc1 ZINC000224312406 557589498 /nfs/dbraw/zinc/58/94/98/557589498.db2.gz ULALBCHAGBANLH-UHFFFAOYSA-N 1 1 445.585 2.581 40 0 IFABMO CC[NH+]1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000224433917 557605851 /nfs/dbraw/zinc/60/58/51/557605851.db2.gz PNFOWTLUCZRBFL-UHFFFAOYSA-N 1 1 435.977 2.938 40 0 IFABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224817537 557655195 /nfs/dbraw/zinc/65/51/95/557655195.db2.gz ZAAICTGWCGISRZ-UHFFFAOYSA-N 1 1 445.585 2.684 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000224946089 557670038 /nfs/dbraw/zinc/67/00/38/557670038.db2.gz MHDBNTUBBHWDFR-UHFFFAOYSA-N 1 1 426.542 2.567 40 0 IFABMO Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC[NH+]3CCCCCC3)s2)cc1 ZINC000225330293 557711876 /nfs/dbraw/zinc/71/18/76/557711876.db2.gz UARNCJTYICLQPE-UHFFFAOYSA-N 1 1 437.591 2.643 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225507881 557731984 /nfs/dbraw/zinc/73/19/84/557731984.db2.gz GSBZEAIKPVWYHT-HXUWFJFHSA-N 1 1 438.553 2.898 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260769867 557854365 /nfs/dbraw/zinc/85/43/65/557854365.db2.gz SEJBHNULIFBKTI-HOTGVXAUSA-N 1 1 431.549 2.890 40 0 IFABMO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCN(c4cccc(F)c4)CC3)C2)c1 ZINC000585287789 568619346 /nfs/dbraw/zinc/61/93/46/568619346.db2.gz RRDJYNSNVNHARE-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCCCCC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585288226 568619396 /nfs/dbraw/zinc/61/93/96/568619396.db2.gz YWXVWKOYFYHLHM-JOCHJYFZSA-N 1 1 426.504 2.588 40 0 IFABMO C[N@@H+](Cc1cc(C(C)(C)C)ccc1OCC(N)=O)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257200009 568665026 /nfs/dbraw/zinc/66/50/26/568665026.db2.gz ABPTZDGVTHWZAB-KJXAQDMKSA-N 1 1 427.545 2.646 40 0 IFABMO CCn1cc(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@@H](Cc3cnccn3)C2)c(C)n1 ZINC000257210722 568669991 /nfs/dbraw/zinc/66/99/91/568669991.db2.gz BVVXIUFQZVVFPZ-JOCHJYFZSA-N 1 1 447.587 2.617 40 0 IFABMO Cc1nonc1CNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000257216416 568672540 /nfs/dbraw/zinc/67/25/40/568672540.db2.gz CULLXVPCMUZFLD-QHCPKHFHSA-N 1 1 436.516 2.632 40 0 IFABMO Cc1nonc1CNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000257216415 568672602 /nfs/dbraw/zinc/67/26/02/568672602.db2.gz CULLXVPCMUZFLD-HSZRJFAPSA-N 1 1 436.516 2.632 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257242393 568684607 /nfs/dbraw/zinc/68/46/07/568684607.db2.gz ICGULYRGQUFILF-REWPJTCUSA-N 1 1 439.531 2.900 40 0 IFABMO CC(C)CN1C(=O)CO[C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]21 ZINC000257253235 568689756 /nfs/dbraw/zinc/68/97/56/568689756.db2.gz JYBOHHYQSOWCTB-SFTDATJTSA-N 1 1 445.604 2.696 40 0 IFABMO O=C(N1C[C@H](O)[C@@H]([N@H+]2CCc3ccccc3C2)C1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000257259244 568692707 /nfs/dbraw/zinc/69/27/07/568692707.db2.gz KXLZFFKRHJACAM-ZEQRLZLVSA-N 1 1 438.543 2.795 40 0 IFABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[C@H]2O)CC1 ZINC000257290690 568706984 /nfs/dbraw/zinc/70/69/84/568706984.db2.gz QDYMDFRTJGSWKW-WOIUINJBSA-N 1 1 445.947 2.776 40 0 IFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@]2(C1)C/C=C/Cc1ccccc1OCC(=O)NC2 ZINC000257302152 568712090 /nfs/dbraw/zinc/71/20/90/568712090.db2.gz SBSHFRZIYVYPGE-JOXKVKLASA-N 1 1 436.556 2.752 40 0 IFABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000257320677 568720293 /nfs/dbraw/zinc/72/02/93/568720293.db2.gz VXZIJONJKQJREH-IBGZPJMESA-N 1 1 434.462 2.576 40 0 IFABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000257320677 568720295 /nfs/dbraw/zinc/72/02/95/568720295.db2.gz VXZIJONJKQJREH-IBGZPJMESA-N 1 1 434.462 2.576 40 0 IFABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257336605 568727213 /nfs/dbraw/zinc/72/72/13/568727213.db2.gz YPEMJICHJVQSCN-HXUWFJFHSA-N 1 1 434.544 2.983 40 0 IFABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000257344341 568730621 /nfs/dbraw/zinc/73/06/21/568730621.db2.gz ZWTUVVRDOZGKCF-XMMPIXPASA-N 1 1 431.496 2.727 40 0 IFABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000257344341 568730622 /nfs/dbraw/zinc/73/06/22/568730622.db2.gz ZWTUVVRDOZGKCF-XMMPIXPASA-N 1 1 431.496 2.727 40 0 IFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccc(OC)cc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124955 568763590 /nfs/dbraw/zinc/76/35/90/568763590.db2.gz CDFQHECLKIXGQL-QPPBQGQZSA-N 1 1 426.561 2.937 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4ccccc4OC)C[C@@H]2C3)cc1 ZINC000306125784 568764019 /nfs/dbraw/zinc/76/40/19/568764019.db2.gz DCDCUXJHAJFNOC-ROUUACIJSA-N 1 1 433.512 2.852 40 0 IFABMO CC(C)n1cnc([C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306126541 568764193 /nfs/dbraw/zinc/76/41/93/568764193.db2.gz DYTMTPNGONNGEC-QPPBQGQZSA-N 1 1 433.560 2.611 40 0 IFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]1C2 ZINC000306131159 568766341 /nfs/dbraw/zinc/76/63/41/568766341.db2.gz JXXSZYZOVRJIED-CVEARBPZSA-N 1 1 435.459 2.703 40 0 IFABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2cccnc2)C3=O)cc1 ZINC000306133232 568767584 /nfs/dbraw/zinc/76/75/84/568767584.db2.gz MGBCMGLUDXOWNN-AZGAKELHSA-N 1 1 444.535 2.882 40 0 IFABMO CN(C)c1ccccc1C[N@H+]1CCOC[C@@]2(CC[C@H](CNC(=O)C3CC(F)(F)C3)O2)C1 ZINC000306133853 568768184 /nfs/dbraw/zinc/76/81/84/568768184.db2.gz MXVJYOXZHJRNKH-DENIHFKCSA-N 1 1 437.531 2.664 40 0 IFABMO COc1cccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306134888 568768648 /nfs/dbraw/zinc/76/86/48/568768648.db2.gz OAMZMLMXGOEXAZ-AZGAKELHSA-N 1 1 444.535 2.882 40 0 IFABMO COc1ccc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306138893 568770873 /nfs/dbraw/zinc/77/08/73/568770873.db2.gz SKGZTOYPPFTCHU-AZGAKELHSA-N 1 1 444.535 2.882 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@H]2C[N@H+](Cc4cnn(C(C)C)c4)C[C@H]2C3)cc1 ZINC000306139900 568771542 /nfs/dbraw/zinc/77/15/42/568771542.db2.gz UDPWPLOCSALNGT-QZTJIDSGSA-N 1 1 435.532 2.621 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4cccc(OC)c4)C[C@@H]2C3)cc1 ZINC000306141028 568771985 /nfs/dbraw/zinc/77/19/85/568771985.db2.gz VJHNNBAGNOQEGT-ROUUACIJSA-N 1 1 433.512 2.852 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@@H]1C[N@@H+](CC2CC2)C[C@@]2(CCN(Cc3ccccc3)C2)O1 ZINC000306141639 568772466 /nfs/dbraw/zinc/77/24/66/568772466.db2.gz WCSXLRUODRQFBH-AHWVRZQESA-N 1 1 434.584 2.796 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000306141639 568772467 /nfs/dbraw/zinc/77/24/67/568772467.db2.gz WCSXLRUODRQFBH-AHWVRZQESA-N 1 1 434.584 2.796 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000306141639 568772469 /nfs/dbraw/zinc/77/24/69/568772469.db2.gz WCSXLRUODRQFBH-AHWVRZQESA-N 1 1 434.584 2.796 40 0 IFABMO COc1ccc(C2=NN(C(=O)CC[NH+]3CCOCC3)[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019537519 568894539 /nfs/dbraw/zinc/89/45/39/568894539.db2.gz VWFMYXJHRZRHJG-QFIPXVFZSA-N 1 1 433.512 2.972 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 ZINC000253598484 569209068 /nfs/dbraw/zinc/20/90/68/569209068.db2.gz CCHYIZACWYYFQG-ZWKOTPCHSA-N 1 1 428.558 2.953 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006953306 569218681 /nfs/dbraw/zinc/21/86/81/569218681.db2.gz PPIBUBHNGYKYIU-UHFFFAOYSA-N 1 1 429.586 2.971 40 0 IFABMO O=C([C@H]1CC12CCC2)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405331 569226605 /nfs/dbraw/zinc/22/66/05/569226605.db2.gz JALPJLODKMASBQ-TZIWHRDSSA-N 1 1 433.556 2.967 40 0 IFABMO O=C([C@H]1CC12CCC2)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405331 569226607 /nfs/dbraw/zinc/22/66/07/569226607.db2.gz JALPJLODKMASBQ-TZIWHRDSSA-N 1 1 433.556 2.967 40 0 IFABMO O=C([C@H]1CC12CCC2)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405328 569226644 /nfs/dbraw/zinc/22/66/44/569226644.db2.gz JALPJLODKMASBQ-CTNGQTDRSA-N 1 1 433.556 2.967 40 0 IFABMO O=C([C@H]1CC12CCC2)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405328 569226646 /nfs/dbraw/zinc/22/66/46/569226646.db2.gz JALPJLODKMASBQ-CTNGQTDRSA-N 1 1 433.556 2.967 40 0 IFABMO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1C1CCN(Cc2cccnc2)CC1 ZINC000019699498 569230578 /nfs/dbraw/zinc/23/05/78/569230578.db2.gz WJUOINKEQOOSJV-UHFFFAOYSA-N 1 1 433.556 2.633 40 0 IFABMO COc1cccc(CN2CCC(N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)CC2)c1 ZINC000019701368 569231426 /nfs/dbraw/zinc/23/14/26/569231426.db2.gz OUFWNTVOHSTHLZ-UHFFFAOYSA-N 1 1 428.577 2.702 40 0 IFABMO CCn1nc(C)c(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)c1C ZINC000019702618 569232274 /nfs/dbraw/zinc/23/22/74/569232274.db2.gz HVKQIDOBFPVMSQ-MRXNPFEDSA-N 1 1 427.574 2.841 40 0 IFABMO CN(C)c1cc(CN(C)C(=O)CN2CCC(c3ccccc3)CC2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019709803 569234803 /nfs/dbraw/zinc/23/48/03/569234803.db2.gz CIZCFZZCZRBPTO-QFIPXVFZSA-N 1 1 436.604 2.805 40 0 IFABMO Cc1nn(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)c(=O)c2cc3cc(F)ccc3n21 ZINC000009971899 569298782 /nfs/dbraw/zinc/29/87/82/569298782.db2.gz NGKIRZNLGASNBV-UHFFFAOYSA-N 1 1 447.514 2.661 40 0 IFABMO C[NH+](C)CCNc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(-c2ccccc2)n1 ZINC000328997254 569582846 /nfs/dbraw/zinc/58/28/46/569582846.db2.gz JNEMHOUPTVUQNG-UHFFFAOYSA-N 1 1 427.534 3.325 40 0 IFABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3cnccn3)c4=O)C2)cc1 ZINC000004259168 291346785 /nfs/dbraw/zinc/34/67/85/291346785.db2.gz YSBPXMACXPLWKK-ZWKOTPCHSA-N 1 1 431.496 2.519 40 0 biogenic,in-vitro IFABMO Cc1cc(C)c(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c(C)c1 ZINC000022388273 524276846 /nfs/dbraw/zinc/27/68/46/524276846.db2.gz BGRVZSJVBXYGIG-UHFFFAOYSA-N 1 1 429.586 2.722 40 0 IFABMO COc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)cc1 ZINC000022521497 524372934 /nfs/dbraw/zinc/37/29/34/524372934.db2.gz WAWVJTYZQHXDIX-MRXNPFEDSA-N 1 1 442.541 2.660 40 0 IFABMO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 ZINC000012128224 526046393 /nfs/dbraw/zinc/04/63/93/526046393.db2.gz OZMUGSBUGJNFKR-GOSISDBHSA-N 1 1 449.511 2.973 40 0 IFABMO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 ZINC000012128224 526046401 /nfs/dbraw/zinc/04/64/01/526046401.db2.gz OZMUGSBUGJNFKR-GOSISDBHSA-N 1 1 449.511 2.973 40 0 IFABMO O=C(C[N@@H+]1CCC[C@H](c2ncncc2-c2ccncc2)C1)NCc1ccc2c(c1)OCO2 ZINC000012117179 526757370 /nfs/dbraw/zinc/75/73/70/526757370.db2.gz UUXXNOHRJKREHO-IBGZPJMESA-N 1 1 431.496 2.763 40 0 IFABMO O=C(C[N@H+]1CCC[C@H](c2ncncc2-c2ccncc2)C1)NCc1ccc2c(c1)OCO2 ZINC000012117179 526757373 /nfs/dbraw/zinc/75/73/73/526757373.db2.gz UUXXNOHRJKREHO-IBGZPJMESA-N 1 1 431.496 2.763 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000020459154 527369418 /nfs/dbraw/zinc/36/94/18/527369418.db2.gz GDSQGULXYDJLJG-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000030852930 556509349 /nfs/dbraw/zinc/50/93/49/556509349.db2.gz WDVIQAIKUVFVQZ-HNNXBMFYSA-N 1 1 430.505 2.791 40 0 IFABMO Cc1ccc(C)c(N([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000013677260 556555076 /nfs/dbraw/zinc/55/50/76/556555076.db2.gz VTHCWGIRBHRZIG-FQEVSTJZSA-N 1 1 429.586 2.802 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000038754751 556617303 /nfs/dbraw/zinc/61/73/03/556617303.db2.gz JKCHWGJJFKIFAM-HNNXBMFYSA-N 1 1 430.505 2.791 40 0 IFABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4ccc(Cl)cc4)c(COC)nn3c2C)CC1 ZINC000039963912 556630703 /nfs/dbraw/zinc/63/07/03/556630703.db2.gz VHZDTYBKBCDNOQ-UHFFFAOYSA-N 1 1 428.924 2.677 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000044883272 556674499 /nfs/dbraw/zinc/67/44/99/556674499.db2.gz BIKSPIDNPCDJNJ-QGZVFWFLSA-N 1 1 426.542 2.960 40 0 IFABMO O=C(C1CCOCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019014852 556692175 /nfs/dbraw/zinc/69/21/75/556692175.db2.gz MNKZMZZUUXULJS-NRFANRHFSA-N 1 1 428.577 2.941 40 0 IFABMO Cc1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](Cc3cccs3)CC4)C2)on1 ZINC000019119838 556700786 /nfs/dbraw/zinc/70/07/86/556700786.db2.gz RWXYKFGDTGNGAH-OAHLLOKOSA-N 1 1 439.541 2.706 40 0 IFABMO Cc1cnc(C(=O)N2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019238830 556724483 /nfs/dbraw/zinc/72/44/83/556724483.db2.gz FNYHEDBPVFEEBU-DYESRHJHSA-N 1 1 425.508 2.735 40 0 IFABMO COc1cccc(OC)c1C(=O)NC1CC[NH+](Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019288989 556729144 /nfs/dbraw/zinc/72/91/44/556729144.db2.gz PVONWSQMPDPBQL-UHFFFAOYSA-N 1 1 435.528 2.894 40 0 IFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)nc2C1 ZINC000019292848 556732379 /nfs/dbraw/zinc/73/23/79/556732379.db2.gz NQDRQZVBCCGGFX-MRXNPFEDSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(Cc1cc(F)ccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019293032 556732476 /nfs/dbraw/zinc/73/24/76/556732476.db2.gz NGFACGAYYDZZFI-HNNXBMFYSA-N 1 1 442.510 2.907 40 0 IFABMO O=C([C@@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019343667 556741424 /nfs/dbraw/zinc/74/14/24/556741424.db2.gz JXQVRBVMMRDDRI-MOPGFXCFSA-N 1 1 428.558 2.622 40 0 IFABMO O=C([C@@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019343667 556741426 /nfs/dbraw/zinc/74/14/26/556741426.db2.gz JXQVRBVMMRDDRI-MOPGFXCFSA-N 1 1 428.558 2.622 40 0 IFABMO O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(c2ccncc2)CC1 ZINC000019405038 556754826 /nfs/dbraw/zinc/75/48/26/556754826.db2.gz LFJZULJDCNALNL-NRFANRHFSA-N 1 1 435.572 2.560 40 0 IFABMO COc1cc(CCC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)on1 ZINC000019448335 556757508 /nfs/dbraw/zinc/75/75/08/556757508.db2.gz OPQKEYXPTUAKEU-SFHVURJKSA-N 1 1 429.521 2.632 40 0 IFABMO CCc1[nH+]ccn1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000019523488 556781033 /nfs/dbraw/zinc/78/10/33/556781033.db2.gz DBDFTJKGHDLBSQ-UHFFFAOYSA-N 1 1 446.555 2.773 40 0 IFABMO CCn1ncc(C[N@H+]2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)c1C ZINC000019523987 556781233 /nfs/dbraw/zinc/78/12/33/556781233.db2.gz UDGVNPZBSDXAOG-NHCUHLMSSA-N 1 1 439.608 2.732 40 0 IFABMO COc1ccccc1C[N@@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2C1 ZINC000019570670 556810904 /nfs/dbraw/zinc/81/09/04/556810904.db2.gz UMFLOZBOMYLQFP-LJQANCHMSA-N 1 1 436.556 2.843 40 0 IFABMO COc1ccccc1C[N@H+]1CCc2c(=O)[nH]c([C@@H]3CCN(C(=O)C4CCCC4)C3)nc2C1 ZINC000019570670 556810909 /nfs/dbraw/zinc/81/09/09/556810909.db2.gz UMFLOZBOMYLQFP-LJQANCHMSA-N 1 1 436.556 2.843 40 0 IFABMO COCCC(=O)N1CCC(c2nc([C@@H]3CCC[N@@H+](Cc4ccsc4)C3)cc(=O)[nH]2)CC1 ZINC000019593107 556829330 /nfs/dbraw/zinc/82/93/30/556829330.db2.gz PETYYABMWKJZPP-LJQANCHMSA-N 1 1 444.601 2.954 40 0 IFABMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2ccc(-c3cnc(N)nc3)cn2)CC1 ZINC000019689100 556843716 /nfs/dbraw/zinc/84/37/16/556843716.db2.gz ZVSIYGFQQAVJSC-QHCPKHFHSA-N 1 1 428.540 2.884 40 0 IFABMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2ccc(-c3cnc(N)nc3)cn2)CC1 ZINC000019689100 556843720 /nfs/dbraw/zinc/84/37/20/556843720.db2.gz ZVSIYGFQQAVJSC-QHCPKHFHSA-N 1 1 428.540 2.884 40 0 IFABMO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@@H+](C)Cc3cnc(C(C)C)nc3)cc2)C1 ZINC000019698763 556857723 /nfs/dbraw/zinc/85/77/23/556857723.db2.gz JJORHCFCJINXSJ-PKTZIBPZSA-N 1 1 437.588 2.882 40 0 IFABMO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@H+](C)Cc3cnc(C(C)C)nc3)cc2)C1 ZINC000019698763 556857726 /nfs/dbraw/zinc/85/77/26/556857726.db2.gz JJORHCFCJINXSJ-PKTZIBPZSA-N 1 1 437.588 2.882 40 0 IFABMO O=C(c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000019708053 556868110 /nfs/dbraw/zinc/86/81/10/556868110.db2.gz CSSYHOWDGJHJNP-NRFANRHFSA-N 1 1 433.556 2.807 40 0 IFABMO O=C(c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000019708053 556868114 /nfs/dbraw/zinc/86/81/14/556868114.db2.gz CSSYHOWDGJHJNP-NRFANRHFSA-N 1 1 433.556 2.807 40 0 IFABMO CNc1nc([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708819 556870350 /nfs/dbraw/zinc/87/03/50/556870350.db2.gz BFYQUDNZTYQROF-INIZCTEOSA-N 1 1 427.524 2.820 40 0 IFABMO CNc1nc([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708819 556870352 /nfs/dbraw/zinc/87/03/52/556870352.db2.gz BFYQUDNZTYQROF-INIZCTEOSA-N 1 1 427.524 2.820 40 0 IFABMO CNc1nc([C@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708809 556870387 /nfs/dbraw/zinc/87/03/87/556870387.db2.gz WAEGJSQHYXLXFA-IBGZPJMESA-N 1 1 449.599 2.961 40 0 IFABMO CNc1nc([C@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708809 556870391 /nfs/dbraw/zinc/87/03/91/556870391.db2.gz WAEGJSQHYXLXFA-IBGZPJMESA-N 1 1 449.599 2.961 40 0 IFABMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741295 556883138 /nfs/dbraw/zinc/88/31/38/556883138.db2.gz PCJZJOSVSNVXDR-SFHVURJKSA-N 1 1 439.535 2.671 40 0 IFABMO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019741295 556883140 /nfs/dbraw/zinc/88/31/40/556883140.db2.gz PCJZJOSVSNVXDR-SFHVURJKSA-N 1 1 439.535 2.671 40 0 IFABMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019744518 556890663 /nfs/dbraw/zinc/89/06/63/556890663.db2.gz VORMEUIWFVFDCE-OAQYLSRUSA-N 1 1 447.583 2.719 40 0 IFABMO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000019744518 556890665 /nfs/dbraw/zinc/89/06/65/556890665.db2.gz VORMEUIWFVFDCE-OAQYLSRUSA-N 1 1 447.583 2.719 40 0 IFABMO C[C@H]1CCC[N@@H+](CC(=O)N2CCC(Cc3ncncc3C(=O)Nc3nccs3)CC2)C1 ZINC000019756779 556900647 /nfs/dbraw/zinc/90/06/47/556900647.db2.gz VQISVXHZSPEVRY-INIZCTEOSA-N 1 1 442.589 2.698 40 0 IFABMO Cc1cc(-c2cncnc2C2CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)on1 ZINC000072334651 556907234 /nfs/dbraw/zinc/90/72/34/556907234.db2.gz FJCPYVRLVUIFGS-UHFFFAOYSA-N 1 1 435.484 2.665 40 0 IFABMO CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(C[N@@H+](C)Cc3c(C)nc4ccccn43)cc2)C1 ZINC000072370198 556934053 /nfs/dbraw/zinc/93/40/53/556934053.db2.gz OCNBFOBZMQVOTI-PKTZIBPZSA-N 1 1 447.583 2.925 40 0 IFABMO CCN(CC)C(=O)N1CC[NH+](Cc2c3cccnc3[nH]c2[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000072395280 556966793 /nfs/dbraw/zinc/96/67/93/556966793.db2.gz WOHBOMOASPMJJL-LJQANCHMSA-N 1 1 440.592 2.868 40 0 IFABMO CCn1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(C4CCN(C(=O)C(C)C)CC4)n3)C2)cn1 ZINC000072399215 556971707 /nfs/dbraw/zinc/97/17/07/556971707.db2.gz FNVQZONCURVEAO-HXUWFJFHSA-N 1 1 440.592 2.728 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020105244 556982128 /nfs/dbraw/zinc/98/21/28/556982128.db2.gz MMHDITDVCGXWHD-QFIPXVFZSA-N 1 1 435.634 2.999 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000020106846 556982987 /nfs/dbraw/zinc/98/29/87/556982987.db2.gz YANBHZYTWVXKEW-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO O=C1C[C@@]2(CN1Cc1cncs1)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103647 557036089 /nfs/dbraw/zinc/03/60/89/557036089.db2.gz LHPILRRRTFYCBU-OAQYLSRUSA-N 1 1 441.582 2.913 40 0 IFABMO COc1ccc(-c2ccc3c([C@H]4CN(C(=O)Cc5ccn(C)n5)CCO4)[nH+]cn3c2)cc1 ZINC000585113174 557045146 /nfs/dbraw/zinc/04/51/46/557045146.db2.gz WSPWEXGEKFTAMT-JOCHJYFZSA-N 1 1 431.496 2.886 40 0 IFABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C)CC1)c1cc(C)cc(C)c1 ZINC000409388717 557100003 /nfs/dbraw/zinc/10/00/03/557100003.db2.gz FCTZLFUNEQGVQJ-UHFFFAOYSA-N 1 1 445.585 2.590 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000216325237 557143110 /nfs/dbraw/zinc/14/31/10/557143110.db2.gz CEHCVPDZNWGVRX-UHFFFAOYSA-N 1 1 434.468 2.541 40 0 IFABMO CCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC23CCN(Cc2nccs2)CC3)C1=O ZINC000096036462 557163315 /nfs/dbraw/zinc/16/33/15/557163315.db2.gz NLNQDLQYLQRAHN-QHCPKHFHSA-N 1 1 425.602 2.875 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccncc4)CC3)c3ccccc32)CC1 ZINC000096052949 557166517 /nfs/dbraw/zinc/16/65/17/557166517.db2.gz FMDPKFNAYLVGCS-OAQYLSRUSA-N 1 1 432.568 2.907 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(C[N@H+](Cc4cccnc4)C[C@@]34CCN(C)C4=O)CC2)cc1 ZINC000096144287 557172013 /nfs/dbraw/zinc/17/20/13/557172013.db2.gz FYALSFWZQARDMM-AREMUKBSSA-N 1 1 432.568 2.977 40 0 IFABMO CN1CCCN(C(=O)c2ncn3c2nccc3C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000096155688 557180146 /nfs/dbraw/zinc/18/01/46/557180146.db2.gz HIPHFZZLRCZLHT-UHFFFAOYSA-N 1 1 432.572 2.887 40 0 IFABMO C[N@H+]1CCCN(C(=O)c2ccc3ccc(N4CCN(C(=O)c5ccccc5)CC4)n3c2)CC1 ZINC000096155994 557180934 /nfs/dbraw/zinc/18/09/34/557180934.db2.gz XSFZRXARLSQZCO-UHFFFAOYSA-N 1 1 445.567 2.679 40 0 IFABMO CC(C)CS(=O)(=O)N1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242288 557186327 /nfs/dbraw/zinc/18/63/27/557186327.db2.gz HDTPPOABLGTERO-HXUWFJFHSA-N 1 1 447.645 2.657 40 0 IFABMO C[N@H+]1CCCN(C(=O)c2cn(-c3nc(CNc4ccccc4)c4ccccn43)cn2)CC1 ZINC000096267068 557192855 /nfs/dbraw/zinc/19/28/55/557192855.db2.gz JJNKWWLWJVUVMJ-UHFFFAOYSA-N 1 1 429.528 2.910 40 0 IFABMO NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000585261794 557196975 /nfs/dbraw/zinc/19/69/75/557196975.db2.gz NABHJXSMMLVFAB-OAQYLSRUSA-N 1 1 441.959 2.587 40 0 IFABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000585261794 557196978 /nfs/dbraw/zinc/19/69/78/557196978.db2.gz NABHJXSMMLVFAB-OAQYLSRUSA-N 1 1 441.959 2.587 40 0 IFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000585261884 557197338 /nfs/dbraw/zinc/19/73/38/557197338.db2.gz IZBSCRDQLQNXMT-XMMPIXPASA-N 1 1 426.532 2.969 40 0 IFABMO CCOc1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 ZINC000585271782 557216171 /nfs/dbraw/zinc/21/61/71/557216171.db2.gz HMMXVBWRWBKMEE-JOCHJYFZSA-N 1 1 444.572 2.668 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585283034 557222321 /nfs/dbraw/zinc/22/23/21/557222321.db2.gz OUZKJUNZULNIOM-HSZRJFAPSA-N 1 1 440.531 2.834 40 0 IFABMO Cc1ccc(OC[C@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000585283512 557222853 /nfs/dbraw/zinc/22/28/53/557222853.db2.gz RLKJQPSAUONFGL-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCOC[C@](O)(COc4cccc(F)c4)C3)CC2)cc1 ZINC000585284881 557224547 /nfs/dbraw/zinc/22/45/47/557224547.db2.gz ADAFHQAHTPXTRL-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO Cc1ccc(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccc(C)cc4)CC3)C2)cc1 ZINC000585285277 557224871 /nfs/dbraw/zinc/22/48/71/557224871.db2.gz WVUMQPQJFPKUQA-SANMLTNESA-N 1 1 440.584 2.777 40 0 IFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCOC[C@@](O)(COc4ccccc4C)C3)CC2)cc1 ZINC000585285089 557224919 /nfs/dbraw/zinc/22/49/19/557224919.db2.gz CHOWAHPBBNCAGU-AREMUKBSSA-N 1 1 440.584 2.777 40 0 IFABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCOC[C@@](O)(COc4cccc(F)c4)C3)CC2)c1 ZINC000585287586 557227617 /nfs/dbraw/zinc/22/76/17/557227617.db2.gz PDWKANVPEHRUJW-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Fc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928902 557277267 /nfs/dbraw/zinc/27/72/67/557277267.db2.gz XTFUKGXPAQVARO-GOTSBHOMSA-N 1 1 436.535 2.898 40 0 IFABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2cccc(OC)c2OC)CC1 ZINC000022929418 557277757 /nfs/dbraw/zinc/27/77/57/557277757.db2.gz QNHULICZNDIOKF-OAQYLSRUSA-N 1 1 440.523 2.605 40 0 IFABMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220503796 557298001 /nfs/dbraw/zinc/29/80/01/557298001.db2.gz IATZOMZEQMREIR-QFIPXVFZSA-N 1 1 429.586 2.884 40 0 IFABMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220644401 557303978 /nfs/dbraw/zinc/30/39/78/557303978.db2.gz RCHQXKDPBLPSKO-QFIPXVFZSA-N 1 1 445.585 2.584 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000023410377 557315468 /nfs/dbraw/zinc/31/54/68/557315468.db2.gz TZAZCLIYXVCATO-UHFFFAOYSA-N 1 1 429.586 2.971 40 0 IFABMO COCCN1[C@H]2CC[N@H+](Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000107184565 557336011 /nfs/dbraw/zinc/33/60/11/557336011.db2.gz VMNKSVAJEBGSPL-PMACEKPBSA-N 1 1 434.533 2.888 40 0 IFABMO COCCN1[C@H]2CC[N@@H+](Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000107184565 557336014 /nfs/dbraw/zinc/33/60/14/557336014.db2.gz VMNKSVAJEBGSPL-PMACEKPBSA-N 1 1 434.533 2.888 40 0 IFABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(C)c(Cl)c2)cc1 ZINC000044802844 557352188 /nfs/dbraw/zinc/35/21/88/557352188.db2.gz UZHSWDOEOIXKNN-UHFFFAOYSA-N 1 1 435.977 2.926 40 0 IFABMO CNS(=O)(=O)c1ccc(CCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222879724 557397237 /nfs/dbraw/zinc/39/72/37/557397237.db2.gz GWWVGMVTRAVERB-UHFFFAOYSA-N 1 1 446.960 2.957 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000222983418 557411381 /nfs/dbraw/zinc/41/13/81/557411381.db2.gz BZFOWUFVBAGHIG-QGZVFWFLSA-N 1 1 427.636 2.800 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000025767234 557419558 /nfs/dbraw/zinc/41/95/58/557419558.db2.gz ORJAOQWRLLNMMM-UHFFFAOYSA-N 1 1 445.585 2.671 40 0 IFABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000026110242 557432115 /nfs/dbraw/zinc/43/21/15/557432115.db2.gz ANESUXBQFQQVPU-MRXNPFEDSA-N 1 1 448.416 2.699 40 0 IFABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000026110733 557443659 /nfs/dbraw/zinc/44/36/59/557443659.db2.gz BIVBOZYUHGRIAT-OAHLLOKOSA-N 1 1 448.416 2.699 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000223198937 557444886 /nfs/dbraw/zinc/44/48/86/557444886.db2.gz AFVYIUPKPYPNGS-UHFFFAOYSA-N 1 1 446.960 2.912 40 0 IFABMO COCCn1nnnc1[C@@H](c1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019594088 557506350 /nfs/dbraw/zinc/50/63/50/557506350.db2.gz VDIRIHCOUWVBSF-OAQYLSRUSA-N 1 1 426.952 2.880 40 0 IFABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000027329893 557550048 /nfs/dbraw/zinc/55/00/48/557550048.db2.gz RESSSVYMVVHWDL-WNRNVDISSA-N 1 1 427.382 2.706 40 0 IFABMO NC(=O)[C@H]1[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000027329893 557550050 /nfs/dbraw/zinc/55/00/50/557550050.db2.gz RESSSVYMVVHWDL-WNRNVDISSA-N 1 1 427.382 2.706 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224411690 557603627 /nfs/dbraw/zinc/60/36/27/557603627.db2.gz ODRGFYWONJJCSK-AWEZNQCLSA-N 1 1 448.495 2.930 40 0 IFABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224805236 557653381 /nfs/dbraw/zinc/65/33/81/557653381.db2.gz BYIHZIDNIGCDET-UHFFFAOYSA-N 1 1 449.548 2.578 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000225209604 557700411 /nfs/dbraw/zinc/70/04/11/557700411.db2.gz WFMVEBLXFOFOLK-CQSZACIVSA-N 1 1 448.495 2.930 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225302631 557710274 /nfs/dbraw/zinc/71/02/74/557710274.db2.gz ASPHAWINONRRTE-UHFFFAOYSA-N 1 1 436.537 2.958 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000225508027 557731890 /nfs/dbraw/zinc/73/18/90/557731890.db2.gz WPOHHIKYQLSLPQ-HXUWFJFHSA-N 1 1 438.553 2.898 40 0 IFABMO CS(=O)(=O)N[C@H](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000225952164 557796472 /nfs/dbraw/zinc/79/64/72/557796472.db2.gz AMYDLZYUBGUFEX-HXUWFJFHSA-N 1 1 435.977 2.665 40 0 IFABMO O[C@@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000585274665 568618699 /nfs/dbraw/zinc/61/86/99/568618699.db2.gz LWAAJWZGEUWJCB-XMMPIXPASA-N 1 1 441.503 2.744 40 0 IFABMO O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000585274665 568618702 /nfs/dbraw/zinc/61/87/02/568618702.db2.gz LWAAJWZGEUWJCB-XMMPIXPASA-N 1 1 441.503 2.744 40 0 IFABMO Cc1ccccc1OC[C@]1(O)COCC[N@@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C1 ZINC000585287824 568619281 /nfs/dbraw/zinc/61/92/81/568619281.db2.gz SPPUKAFVJVWAQG-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000585287772 568619314 /nfs/dbraw/zinc/61/93/14/568619314.db2.gz QVFVLAYQZRYXBH-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO Cc1cccc(OC[C@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccccc4C)CC3)C2)c1 ZINC000585287793 568619323 /nfs/dbraw/zinc/61/93/23/568619323.db2.gz RZXLXZNTHJWBFP-AREMUKBSSA-N 1 1 440.584 2.777 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000260903578 568628763 /nfs/dbraw/zinc/62/87/63/568628763.db2.gz PMJBOHVPXLVSNJ-AZUAARDMSA-N 1 1 439.597 2.997 40 0 IFABMO O=C1NCCNC(=O)[C@]2(CCC[N@@H+](Cc3nccs3)C2)C/C=C/COc2ccccc21 ZINC000257218150 568673280 /nfs/dbraw/zinc/67/32/80/568673280.db2.gz DCAUMMKYRLIVAN-CRTIWDKESA-N 1 1 440.569 2.610 40 0 IFABMO CC(C)n1nccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C1CCN(CC(=O)N2CCCC2)CC1 ZINC000257234654 568681414 /nfs/dbraw/zinc/68/14/14/568681414.db2.gz GUNQTPXKFBVCML-OAQYLSRUSA-N 1 1 444.624 2.591 40 0 IFABMO CC(C)n1nccc1NC(=O)C[N@H+]1CCCC[C@@H]1C1CCN(CC(=O)N2CCCC2)CC1 ZINC000257234654 568681416 /nfs/dbraw/zinc/68/14/16/568681416.db2.gz GUNQTPXKFBVCML-OAQYLSRUSA-N 1 1 444.624 2.591 40 0 IFABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000257256640 568691846 /nfs/dbraw/zinc/69/18/46/568691846.db2.gz KMIDRLVSJNGKCC-OAQYLSRUSA-N 1 1 445.470 2.805 40 0 IFABMO CC(C)N1C[C@H](C(=O)NCc2cnn(-c3ccccc3)c2[C@H]2CC[N@H+](C(C)C)C2)CC1=O ZINC000257276271 568700531 /nfs/dbraw/zinc/70/05/31/568700531.db2.gz NTBHFSUZDNIRTC-VQTJNVASSA-N 1 1 437.588 2.943 40 0 IFABMO CC(C)c1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257277494 568701083 /nfs/dbraw/zinc/70/10/83/568701083.db2.gz NYEOYJLOKCUKQP-VXKWHMMOSA-N 1 1 428.577 2.624 40 0 IFABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000257310427 568715667 /nfs/dbraw/zinc/71/56/67/568715667.db2.gz UFAKMUILHBDRAQ-VWLOTQADSA-N 1 1 445.523 2.987 40 0 IFABMO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000257310427 568715668 /nfs/dbraw/zinc/71/56/68/568715668.db2.gz UFAKMUILHBDRAQ-VWLOTQADSA-N 1 1 445.523 2.987 40 0 IFABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000257320678 568720185 /nfs/dbraw/zinc/72/01/85/568720185.db2.gz VXZIJONJKQJREH-LJQANCHMSA-N 1 1 434.462 2.576 40 0 IFABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000257320678 568720188 /nfs/dbraw/zinc/72/01/88/568720188.db2.gz VXZIJONJKQJREH-LJQANCHMSA-N 1 1 434.462 2.576 40 0 IFABMO CCOc1ccc(C[N@H+]2CC[C@H](c3nc(N(C)C)ncc3-c3cnn(C)c3)C2)cc1CO ZINC000257337498 568727628 /nfs/dbraw/zinc/72/76/28/568727628.db2.gz YTAKEFLCTOMHRK-SFHVURJKSA-N 1 1 436.560 2.824 40 0 IFABMO CCNC(=O)NC[C@H]1CC[C@]2(COCC[N@H+](Cc3cc(C)ccc3Br)C2)O1 ZINC000306124256 568763314 /nfs/dbraw/zinc/76/33/14/568763314.db2.gz BKSDBFAZXMCGRK-XLIONFOSSA-N 1 1 440.382 2.827 40 0 IFABMO CCNC(=O)NC[C@H]1CC[C@]2(COCC[N@@H+](Cc3cc(C)ccc3Br)C2)O1 ZINC000306124256 568763316 /nfs/dbraw/zinc/76/33/16/568763316.db2.gz BKSDBFAZXMCGRK-XLIONFOSSA-N 1 1 440.382 2.827 40 0 IFABMO COCCN1C[C@@]2(CC[N@@H+](Cc3cc(C)cc(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306126520 568764175 /nfs/dbraw/zinc/76/41/75/568764175.db2.gz DYDAJRIKQWUDMM-QHCPKHFHSA-N 1 1 430.570 2.978 40 0 IFABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@@H+](Cc3cccc(Cl)c3)C1)C2 ZINC000306133599 568767842 /nfs/dbraw/zinc/76/78/42/568767842.db2.gz MQLSQNDOKIVZPZ-HSZRJFAPSA-N 1 1 444.963 2.814 40 0 IFABMO O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CC[N@H+](Cc3cccc(Cl)c3)C1)C2 ZINC000306133599 568767845 /nfs/dbraw/zinc/76/78/45/568767845.db2.gz MQLSQNDOKIVZPZ-HSZRJFAPSA-N 1 1 444.963 2.814 40 0 IFABMO CCNC(=O)NC[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)O1 ZINC000306133320 568767942 /nfs/dbraw/zinc/76/79/42/568767942.db2.gz MIJADIWKIAQMDL-XUZZJYLKSA-N 1 1 442.535 2.957 40 0 IFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccccc3OC)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306134213 568768156 /nfs/dbraw/zinc/76/81/56/568768156.db2.gz NFUIVPCLJXCOLW-HYBUGGRVSA-N 1 1 426.561 2.937 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCc3cccnc3)cn21 ZINC000306135711 568769243 /nfs/dbraw/zinc/76/92/43/568769243.db2.gz OYHADKCVMADNJZ-QFIPXVFZSA-N 1 1 447.587 2.574 40 0 IFABMO O=C(NC[C@@H]1CC[C@@]2(COCC[N@H+](Cc3c[nH]c4ccc(F)cc34)C2)O1)c1cccnc1 ZINC000306138340 568770533 /nfs/dbraw/zinc/77/05/33/568770533.db2.gz RVFKEFGKCGWNJA-GBXCKJPGSA-N 1 1 438.503 2.882 40 0 IFABMO Cc1ccc(C[N@@H+]2CCN3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)cc1 ZINC000306138690 568770703 /nfs/dbraw/zinc/77/07/03/568770703.db2.gz SEKDMNQOXLZFPL-NRFANRHFSA-N 1 1 434.519 2.528 40 0 IFABMO Cc1ccc(C[N@H+]2CCN3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@@H]3C2)cc1 ZINC000306138690 568770706 /nfs/dbraw/zinc/77/07/06/568770706.db2.gz SEKDMNQOXLZFPL-NRFANRHFSA-N 1 1 434.519 2.528 40 0 IFABMO Cc1ccc(C[N@@H+]2CCN3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@H]3C2)cc1 ZINC000306138691 568770797 /nfs/dbraw/zinc/77/07/97/568770797.db2.gz SEKDMNQOXLZFPL-OAQYLSRUSA-N 1 1 434.519 2.528 40 0 IFABMO Cc1ccc(C[N@H+]2CCN3CCn4c(C(=O)NCc5ccc(F)cc5)nnc4[C@H]3C2)cc1 ZINC000306138691 568770800 /nfs/dbraw/zinc/77/08/00/568770800.db2.gz SEKDMNQOXLZFPL-OAQYLSRUSA-N 1 1 434.519 2.528 40 0 IFABMO CCNC(=O)NC[C@@H]1CC[C@@]2(COCC[N@@H+](Cc3ccc(OC)c4ccccc34)C2)O1 ZINC000306142751 568772915 /nfs/dbraw/zinc/77/29/15/568772915.db2.gz XIHJODYWJCKRNN-YADARESESA-N 1 1 427.545 2.918 40 0 IFABMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@@]12CCN(Cc1ccccc1)C2 ZINC000306143857 568773459 /nfs/dbraw/zinc/77/34/59/568773459.db2.gz YORAQIPWHFLKBE-DNQXCXABSA-N 1 1 427.614 2.745 40 0 IFABMO CS(=O)(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306143857 568773460 /nfs/dbraw/zinc/77/34/60/568773460.db2.gz YORAQIPWHFLKBE-DNQXCXABSA-N 1 1 427.614 2.745 40 0 IFABMO CS(=O)(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306143857 568773461 /nfs/dbraw/zinc/77/34/61/568773461.db2.gz YORAQIPWHFLKBE-DNQXCXABSA-N 1 1 427.614 2.745 40 0 IFABMO COc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)c(OC)c1 ZINC000253400359 568920057 /nfs/dbraw/zinc/92/00/57/568920057.db2.gz DWVWVAORASEINR-CMKODMSKSA-N 1 1 429.561 2.780 40 0 IFABMO Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc2c1=O ZINC000253401516 568920070 /nfs/dbraw/zinc/92/00/70/568920070.db2.gz FRVAKXNDVPTLIH-IRMATFOQSA-N 1 1 432.568 2.898 40 0 IFABMO Cc1cccc(N2CC[N@H+](C[C@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C[C@H]2C)c1 ZINC000248105484 569207197 /nfs/dbraw/zinc/20/71/97/569207197.db2.gz LHAIHZNXGFPJCX-GLDPYIMESA-N 1 1 443.613 2.950 40 0 IFABMO O=C1NC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccncc2)CC1 ZINC000019699497 569230616 /nfs/dbraw/zinc/23/06/16/569230616.db2.gz WXHRZZUVQQXMAN-UHFFFAOYSA-N 1 1 433.556 2.633 40 0 IFABMO CCn1nc(C)c(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(=O)NCCO)C2)c1C ZINC000019702619 569232263 /nfs/dbraw/zinc/23/22/63/569232263.db2.gz HVKQIDOBFPVMSQ-INIZCTEOSA-N 1 1 427.574 2.841 40 0 IFABMO COc1ccc(OCc2sc([C@@]3(O)CCC[N@H+](CC(=O)N(C)C)CC3)nc2C)cc1 ZINC000019705204 569233943 /nfs/dbraw/zinc/23/39/43/569233943.db2.gz PDHDBBHRPHTOFM-JOCHJYFZSA-N 1 1 433.574 2.801 40 0 IFABMO COc1ccc(OCc2sc([C@@]3(O)CCC[N@@H+](CC(=O)N(C)C)CC3)nc2C)cc1 ZINC000019705204 569233944 /nfs/dbraw/zinc/23/39/44/569233944.db2.gz PDHDBBHRPHTOFM-JOCHJYFZSA-N 1 1 433.574 2.801 40 0 IFABMO Cc1nn2c(nccc2[C@@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)c1Cn1cc[nH+]c1C ZINC000019707763 569234668 /nfs/dbraw/zinc/23/46/68/569234668.db2.gz NCHJQRIFHMRQTR-QFIPXVFZSA-N 1 1 448.502 2.873 40 0 IFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000025015315 569241999 /nfs/dbraw/zinc/24/19/99/569241999.db2.gz PCJCJTGUULEXLT-QFIPXVFZSA-N 1 1 441.597 2.652 40 0 IFABMO CC(C)[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NC2CC2)C(=O)C1 ZINC000253407746 569265463 /nfs/dbraw/zinc/26/54/63/569265463.db2.gz WSPCLCPLWMVQLQ-OPCATCLCSA-N 1 1 425.573 2.979 40 0 IFABMO CC(C)[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NC2CC2)C(=O)C1 ZINC000253407746 569265465 /nfs/dbraw/zinc/26/54/65/569265465.db2.gz WSPCLCPLWMVQLQ-OPCATCLCSA-N 1 1 425.573 2.979 40 0 IFABMO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000009360111 569295808 /nfs/dbraw/zinc/29/58/08/569295808.db2.gz CKQHOCFSFLTMIJ-GKAYAJSDSA-N 1 1 437.883 2.780 40 0 IFABMO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000009360111 569295809 /nfs/dbraw/zinc/29/58/09/569295809.db2.gz CKQHOCFSFLTMIJ-GKAYAJSDSA-N 1 1 437.883 2.780 40 0 IFABMO CCOc1cc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000012275597 520698747 /nfs/dbraw/zinc/69/87/47/520698747.db2.gz DNIKQCLYTOTKRA-SFHVURJKSA-N 1 1 425.533 2.769 40 0 IFABMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182737 521297248 /nfs/dbraw/zinc/29/72/48/521297248.db2.gz WDHLYEGPKPNJDG-YTQUADARSA-N 1 1 446.548 2.662 40 0 IFABMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182737 521297257 /nfs/dbraw/zinc/29/72/57/521297257.db2.gz WDHLYEGPKPNJDG-YTQUADARSA-N 1 1 446.548 2.662 40 0 IFABMO COc1cc(C(=O)NC2CC[NH+](CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000012644598 522103416 /nfs/dbraw/zinc/10/34/16/522103416.db2.gz BPSKNEBUBBKMJO-LPHOPBHVSA-N 1 1 447.576 2.602 40 0 IFABMO COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)cc1 ZINC000022521493 524370994 /nfs/dbraw/zinc/37/09/94/524370994.db2.gz WAWVJTYZQHXDIX-INIZCTEOSA-N 1 1 442.541 2.660 40 0 IFABMO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2C)cc1 ZINC000022913455 525592241 /nfs/dbraw/zinc/59/22/41/525592241.db2.gz MWQSAHSHCNUDCA-UHFFFAOYSA-N 1 1 431.558 2.556 40 0 IFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2C2CCN(C(=O)c3cccnc3)CC2)on1 ZINC000012133117 526045748 /nfs/dbraw/zinc/04/57/48/526045748.db2.gz DYFMCZLNFQUIHS-UHFFFAOYSA-N 1 1 447.543 2.607 40 0 IFABMO Cc1cc(-c2cncnc2[C@H]2CCC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 ZINC000012127943 526048073 /nfs/dbraw/zinc/04/80/73/526048073.db2.gz CEVMYXCDLXWVIQ-KRWDZBQOSA-N 1 1 435.484 2.665 40 0 IFABMO Cc1cc(-c2cncnc2[C@H]2CCC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)on1 ZINC000012127943 526048084 /nfs/dbraw/zinc/04/80/84/526048084.db2.gz CEVMYXCDLXWVIQ-KRWDZBQOSA-N 1 1 435.484 2.665 40 0 IFABMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000100210154 555715740 /nfs/dbraw/zinc/71/57/40/555715740.db2.gz ZPKGMTPGTKOPNI-ZQAYVECASA-N 1 1 437.883 2.780 40 0 IFABMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000100210154 555715742 /nfs/dbraw/zinc/71/57/42/555715742.db2.gz ZPKGMTPGTKOPNI-ZQAYVECASA-N 1 1 437.883 2.780 40 0 IFABMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)N4CCC(C)CC4)CC3)C2=O)cc1 ZINC000004718058 556007881 /nfs/dbraw/zinc/00/78/81/556007881.db2.gz NKHXTTWHHYIJQN-OAQYLSRUSA-N 1 1 427.545 2.688 40 0 IFABMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715497 556286916 /nfs/dbraw/zinc/28/69/16/556286916.db2.gz RIFKTPUUAGUAHP-OAQYLSRUSA-N 1 1 433.549 2.715 40 0 IFABMO CN(CC[NH+](C)C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000022926905 556363381 /nfs/dbraw/zinc/36/33/81/556363381.db2.gz BERWMUIAUWHFLU-CMKODMSKSA-N 1 1 426.527 2.639 40 0 biogenic,in-vitro IFABMO CN(C)CC[N@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000022926905 556363384 /nfs/dbraw/zinc/36/33/84/556363384.db2.gz BERWMUIAUWHFLU-CMKODMSKSA-N 1 1 426.527 2.639 40 0 biogenic,in-vitro IFABMO CN(C)CC[N@@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000022926905 556363386 /nfs/dbraw/zinc/36/33/86/556363386.db2.gz BERWMUIAUWHFLU-CMKODMSKSA-N 1 1 426.527 2.639 40 0 biogenic,in-vitro IFABMO O=C(CCn1c2nn(C3CCCC3)cc2c(C(F)F)cc1=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000036621455 556530179 /nfs/dbraw/zinc/53/01/79/556530179.db2.gz YGAZCYVPNPJDSH-MRXNPFEDSA-N 1 1 433.503 2.947 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000013647027 556544152 /nfs/dbraw/zinc/54/41/52/556544152.db2.gz GGUARDSGKFHZBB-SFHVURJKSA-N 1 1 437.606 2.864 40 0 IFABMO O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(Cc4ccc(C(F)(F)F)cc4)C3)[N@H+]2C1 ZINC000514290326 556626487 /nfs/dbraw/zinc/62/64/87/556626487.db2.gz XKBSDZZMVRBENA-NHCUHLMSSA-N 1 1 432.490 2.606 40 0 biogenic,in-vitro IFABMO O=C(C1CCOCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019014854 556692292 /nfs/dbraw/zinc/69/22/92/556692292.db2.gz MNKZMZZUUXULJS-OAQYLSRUSA-N 1 1 428.577 2.941 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000260408741 556694211 /nfs/dbraw/zinc/69/42/11/556694211.db2.gz LBOCQEZAMQFTGK-ROUUACIJSA-N 1 1 427.636 2.920 40 0 IFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2C2CCN(C(=O)c3ccco3)CC2)on1 ZINC000019123082 556702011 /nfs/dbraw/zinc/70/20/11/556702011.db2.gz STZUQQVMWNCMCN-UHFFFAOYSA-N 1 1 436.516 2.805 40 0 IFABMO C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257323787 556704576 /nfs/dbraw/zinc/70/45/76/556704576.db2.gz WLVHCYNUOISJBS-QHCPKHFHSA-N 1 1 425.508 2.569 40 0 IFABMO C[N@@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257323786 556704582 /nfs/dbraw/zinc/70/45/82/556704582.db2.gz WLVHCYNUOISJBS-HSZRJFAPSA-N 1 1 425.508 2.569 40 0 IFABMO CC(C)c1ccc([C@H]2NC3=NCN(N4CC[NH+](C)CC4)CN3c3nc4ccccc4n32)cc1 ZINC000019172404 556707512 /nfs/dbraw/zinc/70/75/12/556707512.db2.gz NIGDKIVUUNQZFI-QHCPKHFHSA-N 1 1 444.587 2.865 40 0 IFABMO Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CC[N@@H+](C)Cc4cccnc4)C3)c2N)cc1 ZINC000019213197 556710707 /nfs/dbraw/zinc/71/07/07/556710707.db2.gz HMWUYZPGYCGNQU-FQEVSTJZSA-N 1 1 446.555 2.711 40 0 IFABMO Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CC[N@H+](C)Cc4cccnc4)C3)c2N)cc1 ZINC000019213197 556710710 /nfs/dbraw/zinc/71/07/10/556710710.db2.gz HMWUYZPGYCGNQU-FQEVSTJZSA-N 1 1 446.555 2.711 40 0 IFABMO Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)c1 ZINC000019235088 556719430 /nfs/dbraw/zinc/71/94/30/556719430.db2.gz SRTUUJMRTFHWBU-HXUWFJFHSA-N 1 1 430.574 2.512 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000260458049 556720698 /nfs/dbraw/zinc/72/06/98/556720698.db2.gz UFBDSCIHGKYOSQ-QFBILLFUSA-N 1 1 443.997 2.638 40 0 IFABMO Cc1cccc(C[N@H+]2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)n1 ZINC000019236158 556720904 /nfs/dbraw/zinc/72/09/04/556720904.db2.gz WGVJQMHFKQDVPD-KRWDZBQOSA-N 1 1 447.514 2.800 40 0 IFABMO Cn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](CC2CCCCC2)CC3)cn1 ZINC000019290562 556730781 /nfs/dbraw/zinc/73/07/81/556730781.db2.gz SULQHMFMRVSDPP-OAQYLSRUSA-N 1 1 438.576 2.809 40 0 IFABMO O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339369 556739342 /nfs/dbraw/zinc/73/93/42/556739342.db2.gz LXNCMOBJHVFNOM-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339369 556739344 /nfs/dbraw/zinc/73/93/44/556739344.db2.gz LXNCMOBJHVFNOM-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343581 556741554 /nfs/dbraw/zinc/74/15/54/556741554.db2.gz YDYQKKWIYDHVAE-IBGZPJMESA-N 1 1 436.541 2.547 40 0 IFABMO O=C(c1ccc2c(c1)OCO2)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019345479 556742274 /nfs/dbraw/zinc/74/22/74/556742274.db2.gz KWTKPMADOQWCAO-INIZCTEOSA-N 1 1 436.512 2.841 40 0 IFABMO O=C(c1cccnc1)N1CCC(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000019372302 556748732 /nfs/dbraw/zinc/74/87/32/556748732.db2.gz OIMWXVUVBCQNMC-UHFFFAOYSA-N 1 1 429.524 2.743 40 0 IFABMO C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459051 556766439 /nfs/dbraw/zinc/76/64/39/556766439.db2.gz FTQUUPWIGVPNNY-WIYYLYMNSA-N 1 1 443.551 2.843 40 0 IFABMO C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1)c1ccccc1 ZINC000019459051 556766441 /nfs/dbraw/zinc/76/64/41/556766441.db2.gz FTQUUPWIGVPNNY-WIYYLYMNSA-N 1 1 443.551 2.843 40 0 IFABMO C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459032 556766524 /nfs/dbraw/zinc/76/65/24/556766524.db2.gz WYUUSSLKNWGKSU-RXVVDRJESA-N 1 1 443.551 2.843 40 0 IFABMO C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459032 556766528 /nfs/dbraw/zinc/76/65/28/556766528.db2.gz WYUUSSLKNWGKSU-RXVVDRJESA-N 1 1 443.551 2.843 40 0 IFABMO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019499389 556771549 /nfs/dbraw/zinc/77/15/49/556771549.db2.gz KEVVMLYFPQQZKR-KKSFZXQISA-N 1 1 440.544 2.742 40 0 IFABMO CCSCc1nc2c(nnn2C2CC[NH+](Cc3cnc(C(C)C)nc3)CC2)c(=O)[nH]1 ZINC000019520508 556776916 /nfs/dbraw/zinc/77/69/16/556776916.db2.gz ILQLZTCBLHXUIG-UHFFFAOYSA-N 1 1 428.566 2.931 40 0 IFABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019533245 556793378 /nfs/dbraw/zinc/79/33/78/556793378.db2.gz ALUFQGJXYNNFJB-IBGZPJMESA-N 1 1 436.556 2.843 40 0 IFABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c(OC)c1 ZINC000019552183 556795978 /nfs/dbraw/zinc/79/59/78/556795978.db2.gz PIURGSKGDTUGEQ-NWMVZANLSA-N 1 1 429.517 2.631 40 0 IFABMO CNc1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019592377 556828584 /nfs/dbraw/zinc/82/85/84/556828584.db2.gz RWMPBYOBDQZTDK-WIYYLYMNSA-N 1 1 426.540 2.828 40 0 IFABMO CNc1ncc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019592377 556828587 /nfs/dbraw/zinc/82/85/87/556828587.db2.gz RWMPBYOBDQZTDK-WIYYLYMNSA-N 1 1 426.540 2.828 40 0 IFABMO CC(C)(C)C[N@H+]1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 ZINC000019699633 556859283 /nfs/dbraw/zinc/85/92/83/556859283.db2.gz QCVARVVXUXXMJF-IBGZPJMESA-N 1 1 426.561 2.724 40 0 IFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccc(C)c(C)c1)C2 ZINC000019708633 556869587 /nfs/dbraw/zinc/86/95/87/556869587.db2.gz ZTFZVOJJGUCHIB-QGZVFWFLSA-N 1 1 429.590 2.691 40 0 IFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CCN(S(=O)(=O)c1ccccc1Cl)C2 ZINC000019708845 556870424 /nfs/dbraw/zinc/87/04/24/556870424.db2.gz NKBADUOTELVJMJ-AWEZNQCLSA-N 1 1 435.981 2.728 40 0 IFABMO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708872 556870746 /nfs/dbraw/zinc/87/07/46/556870746.db2.gz VAOSCFGNAIOIBG-OAHLLOKOSA-N 1 1 433.553 2.522 40 0 IFABMO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708872 556870749 /nfs/dbraw/zinc/87/07/49/556870749.db2.gz VAOSCFGNAIOIBG-OAHLLOKOSA-N 1 1 433.553 2.522 40 0 IFABMO Cn1c(=O)c2ccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2n(Cc2ccccc2)c1=O ZINC000019743065 556887168 /nfs/dbraw/zinc/88/71/68/556887168.db2.gz YZEFQROFEDUXEX-FQEVSTJZSA-N 1 1 441.535 2.918 40 0 IFABMO O=C(N[C@H]1Cc2ccc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)cc2C1)C1CCCC1 ZINC000019749595 556893823 /nfs/dbraw/zinc/89/38/23/556893823.db2.gz VIOJERBCKUZRKD-NRFANRHFSA-N 1 1 445.629 2.709 40 0 IFABMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(Cc3ncncc3C(=O)Nc3nccs3)CC2)C1 ZINC000019756777 556900704 /nfs/dbraw/zinc/90/07/04/556900704.db2.gz VQISVXHZSPEVRY-MRXNPFEDSA-N 1 1 442.589 2.698 40 0 IFABMO Cc1cc(N2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000019759404 556902922 /nfs/dbraw/zinc/90/29/22/556902922.db2.gz SVTNXONHZUAAQH-QFIPXVFZSA-N 1 1 433.512 2.692 40 0 IFABMO C[NH+]1CCN(C(=O)c2cc([C@H]3CCN(C(=O)c4cccnc4)C3)nc3ccccc32)CC1 ZINC000019759223 556902973 /nfs/dbraw/zinc/90/29/73/556902973.db2.gz OJBGLCDFAUQEEF-IBGZPJMESA-N 1 1 429.524 2.647 40 0 IFABMO CN(C)c1ncccc1C[N@H+]1CC[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 ZINC000019761765 556905232 /nfs/dbraw/zinc/90/52/32/556905232.db2.gz RHEKNWFSANCDRA-GOSISDBHSA-N 1 1 433.556 2.750 40 0 IFABMO COC(=O)[C@@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340238 556912214 /nfs/dbraw/zinc/91/22/14/556912214.db2.gz CEFIGYGDDALBDP-MDTICMOCSA-N 1 1 430.520 2.940 40 0 IFABMO COC(=O)[C@@]1(CC(=O)N2CCC[C@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340238 556912219 /nfs/dbraw/zinc/91/22/19/556912219.db2.gz CEFIGYGDDALBDP-MDTICMOCSA-N 1 1 430.520 2.940 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(Nc3cnccn3)cn2)ccc1OCC(N)=O ZINC000072353186 556925929 /nfs/dbraw/zinc/92/59/29/556925929.db2.gz NQDWIWCACCAOIK-LJQANCHMSA-N 1 1 434.500 2.825 40 0 IFABMO Cc1nc(C2CC[NH+](CC(=O)N3CCC3)CC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000072371174 556937576 /nfs/dbraw/zinc/93/75/76/556937576.db2.gz OIOGXPDSJLPLDK-UHFFFAOYSA-N 1 1 433.556 2.676 40 0 IFABMO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](CCC(=O)N4CCOCC4)C3)c2)n1 ZINC000072374865 556949409 /nfs/dbraw/zinc/94/94/09/556949409.db2.gz MXHQKFXWBIJUNG-HXUWFJFHSA-N 1 1 438.576 2.969 40 0 IFABMO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000072392019 556963004 /nfs/dbraw/zinc/96/30/04/556963004.db2.gz LVPVDECLZUAJKD-SFHVURJKSA-N 1 1 430.549 2.680 40 0 IFABMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000072392019 556963006 /nfs/dbraw/zinc/96/30/06/556963006.db2.gz LVPVDECLZUAJKD-SFHVURJKSA-N 1 1 430.549 2.680 40 0 IFABMO COc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4cnc(-c5ccccc5C)nc4)C[C@@H]32)c(OC)n1 ZINC000072395411 556967336 /nfs/dbraw/zinc/96/73/36/556967336.db2.gz KUXYUQBFQUBGIX-QLWBXOBMSA-N 1 1 447.539 2.989 40 0 IFABMO O=S(=O)(CC[NH+]1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1)c1ccccc1 ZINC000072395706 556968039 /nfs/dbraw/zinc/96/80/39/556968039.db2.gz BGQRERLJAZBJEX-DLBZAZTESA-N 1 1 443.495 2.752 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000020050009 556974603 /nfs/dbraw/zinc/97/46/03/556974603.db2.gz SEKBKGRWCJJOLW-UHFFFAOYSA-N 1 1 432.933 2.917 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)C4CCOCC4)CC3)c3ccccc32)CC1 ZINC000096052965 557166418 /nfs/dbraw/zinc/16/64/18/557166418.db2.gz ZTIKHFJORCLYEW-OAQYLSRUSA-N 1 1 439.600 2.625 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096056148 557167140 /nfs/dbraw/zinc/16/71/40/557167140.db2.gz BRCVXAOOMNLZAV-OFVILXPXSA-N 1 1 435.572 2.730 40 0 IFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)NCc3cccc(F)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144228 557171738 /nfs/dbraw/zinc/17/17/38/557171738.db2.gz CGWDNEFECHDMPO-DEOSSOPVSA-N 1 1 430.568 2.938 40 0 IFABMO CC[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(S(=O)(=O)c3cccc(F)c3)CC[C@@H]12 ZINC000096145316 557174634 /nfs/dbraw/zinc/17/46/34/557174634.db2.gz IXVIYRARFWHQCY-IFMALSPDSA-N 1 1 446.548 2.725 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn21 ZINC000096156803 557182208 /nfs/dbraw/zinc/18/22/08/557182208.db2.gz NUXIOTZCTUFCNV-OAQYLSRUSA-N 1 1 433.560 2.531 40 0 IFABMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096262304 557189736 /nfs/dbraw/zinc/18/97/36/557189736.db2.gz NIQZXRYZNJGGGA-XZOQPEGZSA-N 1 1 448.567 2.675 40 0 IFABMO CC(C)c1ccc(O[C@H]2C[N@@H+](Cc3ccc(OCCN4CCNC4=O)cc3)C[C@@H]2O)cc1 ZINC000585268833 557210198 /nfs/dbraw/zinc/21/01/98/557210198.db2.gz OEAFOXRFTUGXBW-ZEQRLZLVSA-N 1 1 439.556 2.838 40 0 IFABMO COc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCCN3CCCC3=O)cc2)c1 ZINC000585270464 557214093 /nfs/dbraw/zinc/21/40/93/557214093.db2.gz KQJFJOAFTVKSKU-NRFANRHFSA-N 1 1 442.556 2.958 40 0 IFABMO Cc1ccc(OC[C@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)C2)cc1 ZINC000585282474 557221691 /nfs/dbraw/zinc/22/16/91/557221691.db2.gz DTBMGNPCTUBIKV-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Fc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928899 557276950 /nfs/dbraw/zinc/27/69/50/557276950.db2.gz XTFUKGXPAQVARO-XZOQPEGZSA-N 1 1 436.535 2.898 40 0 IFABMO COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928966 557277191 /nfs/dbraw/zinc/27/71/91/557277191.db2.gz QMHVCKKLCWOWOC-ZEQRLZLVSA-N 1 1 448.571 2.768 40 0 IFABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2cccc(OC)c2OC)CC1 ZINC000022929416 557277814 /nfs/dbraw/zinc/27/78/14/557277814.db2.gz QNHULICZNDIOKF-NRFANRHFSA-N 1 1 440.523 2.605 40 0 IFABMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O ZINC000220591864 557302102 /nfs/dbraw/zinc/30/21/02/557302102.db2.gz FLCOKTHVCSPHAQ-HXUWFJFHSA-N 1 1 433.549 2.715 40 0 IFABMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000012371434 557335796 /nfs/dbraw/zinc/33/57/96/557335796.db2.gz ZPKGMTPGTKOPNI-FZONSQQESA-N 1 1 437.883 2.780 40 0 IFABMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000012371434 557335799 /nfs/dbraw/zinc/33/57/99/557335799.db2.gz ZPKGMTPGTKOPNI-FZONSQQESA-N 1 1 437.883 2.780 40 0 IFABMO Cc1cc(Cl)ccc1N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000044791492 557351296 /nfs/dbraw/zinc/35/12/96/557351296.db2.gz VNIHJJLKLBAKJU-UHFFFAOYSA-N 1 1 435.977 2.759 40 0 IFABMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000222619111 557362853 /nfs/dbraw/zinc/36/28/53/557362853.db2.gz ROBZABMRXRNJPE-OAHLLOKOSA-N 1 1 438.981 2.868 40 0 IFABMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000033806971 557368564 /nfs/dbraw/zinc/36/85/64/557368564.db2.gz RMUNWQPYCXCXOC-ZUVQJFRASA-N 1 1 443.503 2.735 40 0 IFABMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000033806971 557368566 /nfs/dbraw/zinc/36/85/66/557368566.db2.gz RMUNWQPYCXCXOC-ZUVQJFRASA-N 1 1 443.503 2.735 40 0 IFABMO CNS(=O)(=O)c1cc(C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)ccc1OC ZINC000222903805 557401221 /nfs/dbraw/zinc/40/12/21/557401221.db2.gz MAKBQLJFFLNBSH-UHFFFAOYSA-N 1 1 448.932 2.647 40 0 IFABMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000026110249 557432108 /nfs/dbraw/zinc/43/21/08/557432108.db2.gz ANESUXBQFQQVPU-INIZCTEOSA-N 1 1 448.416 2.699 40 0 IFABMO CCOc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000014411643 557444646 /nfs/dbraw/zinc/44/46/46/557444646.db2.gz RIUHZGBHUZPATI-UHFFFAOYSA-N 1 1 445.585 2.753 40 0 IFABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019568235 557500901 /nfs/dbraw/zinc/50/09/01/557500901.db2.gz WAGBNQAZTGVCSX-HSZRJFAPSA-N 1 1 443.555 2.517 40 0 IFABMO CCC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000223752292 557509079 /nfs/dbraw/zinc/50/90/79/557509079.db2.gz BMQNIYQXNOPOCC-UHFFFAOYSA-N 1 1 427.570 2.712 40 0 IFABMO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000019940937 557510570 /nfs/dbraw/zinc/51/05/70/557510570.db2.gz LEHOKUQVEQJZAN-JOCHJYFZSA-N 1 1 435.576 2.973 40 0 IFABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000020082129 557515026 /nfs/dbraw/zinc/51/50/26/557515026.db2.gz LTTLHZSHVOGAMK-DENIHFKCSA-N 1 1 433.560 2.808 40 0 IFABMO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000020082131 557515107 /nfs/dbraw/zinc/51/51/07/557515107.db2.gz LTTLHZSHVOGAMK-KNQAVFIVSA-N 1 1 433.560 2.808 40 0 IFABMO O=S(=O)(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)cc1 ZINC000224724061 557644099 /nfs/dbraw/zinc/64/40/99/557644099.db2.gz ZUMKYVPSTLQUQP-UHFFFAOYSA-N 1 1 425.348 2.760 40 0 IFABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(CN(c3ccc(F)cc3)S(C)(=O)=O)c2)CC1 ZINC000224763013 557648989 /nfs/dbraw/zinc/64/89/89/557648989.db2.gz XACAIATWSFWYCX-UHFFFAOYSA-N 1 1 449.548 2.578 40 0 IFABMO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000225044579 557682410 /nfs/dbraw/zinc/68/24/10/557682410.db2.gz PGMHTUPYNLUNMV-MRXNPFEDSA-N 1 1 437.591 2.723 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000225044579 557682413 /nfs/dbraw/zinc/68/24/13/557682413.db2.gz PGMHTUPYNLUNMV-MRXNPFEDSA-N 1 1 437.591 2.723 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000260841329 557861225 /nfs/dbraw/zinc/86/12/25/557861225.db2.gz NVQKTBJZFLDVQR-SFHVURJKSA-N 1 1 430.014 2.872 40 0 IFABMO CN1CCC([N@H+]2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC000015671890 560230341 /nfs/dbraw/zinc/23/03/41/560230341.db2.gz VXAXIGOICLJEGZ-JWQCQUIFSA-N 1 1 437.584 2.915 40 0 biogenic,in-vitro IFABMO C[NH+]1CCC(N2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCc4ccccc4)cc3)C2)CC1 ZINC000015671890 560230343 /nfs/dbraw/zinc/23/03/43/560230343.db2.gz VXAXIGOICLJEGZ-JWQCQUIFSA-N 1 1 437.584 2.915 40 0 biogenic,in-vitro IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000585262271 568616451 /nfs/dbraw/zinc/61/64/51/568616451.db2.gz OFPMUMSBDOSEFR-NGSHPTGOSA-N 1 1 447.510 2.958 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000585262271 568616453 /nfs/dbraw/zinc/61/64/53/568616453.db2.gz OFPMUMSBDOSEFR-NGSHPTGOSA-N 1 1 447.510 2.958 40 0 IFABMO COc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCCN3CCCC3=O)cc2)cc1 ZINC000585270726 568617111 /nfs/dbraw/zinc/61/71/11/568617111.db2.gz PKIVHYKPCNPLJT-OAQYLSRUSA-N 1 1 442.556 2.958 40 0 IFABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCCN3CCCC3=O)cc2)cc1 ZINC000585270725 568617270 /nfs/dbraw/zinc/61/72/70/568617270.db2.gz PKIVHYKPCNPLJT-NRFANRHFSA-N 1 1 442.556 2.958 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585288227 568619257 /nfs/dbraw/zinc/61/92/57/568619257.db2.gz YWXVWKOYFYHLHM-QFIPXVFZSA-N 1 1 426.504 2.588 40 0 IFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCOC[C@](O)(COc4cccc(C)c4)C3)CC2)cc1 ZINC000585288135 568619367 /nfs/dbraw/zinc/61/93/67/568619367.db2.gz XGZBJKFTNSFUDE-SANMLTNESA-N 1 1 440.584 2.777 40 0 IFABMO Cc1cc(C[C@H]2CCC[C@@H]3C[N@@H+](CC(=O)NCCc4nc5ccccc5[nH]4)C[C@@H]32)ncn1 ZINC000257207224 568668579 /nfs/dbraw/zinc/66/85/79/568668579.db2.gz BGWHQGZIVABRHN-SFHLNBCPSA-N 1 1 432.572 2.911 40 0 IFABMO c1cn2nc(C[C@H]3COCCN(Cc4ccccc4OCC[NH+]4CCCC4)C3)ccc2n1 ZINC000257255080 568690916 /nfs/dbraw/zinc/69/09/16/568690916.db2.gz KGACDFFDZQKAPH-OAQYLSRUSA-N 1 1 435.572 2.895 40 0 IFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2cccc(CNC(=O)C(C)C)c2)cc1 ZINC000257261851 568694151 /nfs/dbraw/zinc/69/41/51/568694151.db2.gz LJAAFOSLRIJNFF-BJKOFHAPSA-N 1 1 437.584 2.972 40 0 IFABMO Cc1nc2cc(NC(=O)C[N@@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)ccc2n1C ZINC000257324852 568722128 /nfs/dbraw/zinc/72/21/28/568722128.db2.gz WQLVVHHWLDIXKG-NBGIEHNGSA-N 1 1 431.540 2.959 40 0 IFABMO Cc1nc2cc(NC(=O)C[N@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)ccc2n1C ZINC000257324852 568722131 /nfs/dbraw/zinc/72/21/31/568722131.db2.gz WQLVVHHWLDIXKG-NBGIEHNGSA-N 1 1 431.540 2.959 40 0 IFABMO COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNC(=O)C3CC3)c2)cc1 ZINC000257340599 568728905 /nfs/dbraw/zinc/72/89/05/568728905.db2.gz ZGVYYJIHQAGWEO-RPWUZVMVSA-N 1 1 435.568 2.726 40 0 IFABMO COc1ncccc1C[N@H+]1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccccc1)C2=O ZINC000306130716 568766424 /nfs/dbraw/zinc/76/64/24/568766424.db2.gz JNPHDWDPXPAZBL-OZXSUGGESA-N 1 1 444.535 2.882 40 0 IFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]1C2 ZINC000306131162 568766773 /nfs/dbraw/zinc/76/67/73/568766773.db2.gz JXXSZYZOVRJIED-JKSUJKDBSA-N 1 1 435.459 2.703 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccccc3F)C2)O1 ZINC000306132945 568767319 /nfs/dbraw/zinc/76/73/19/568767319.db2.gz LXHSGFLWAYNZQF-GMAHTHKFSA-N 1 1 448.560 2.695 40 0 IFABMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccccc3F)C2)O1 ZINC000306132945 568767321 /nfs/dbraw/zinc/76/73/21/568767321.db2.gz LXHSGFLWAYNZQF-GMAHTHKFSA-N 1 1 448.560 2.695 40 0 IFABMO CC(C)n1cc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 ZINC000306133770 568768130 /nfs/dbraw/zinc/76/81/30/568768130.db2.gz MVQLOZSXLGNLNT-ILBGXUMGSA-N 1 1 446.555 2.651 40 0 IFABMO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@@H+](Cc4cc(C)cc(C)c4)C2)C3)cc1 ZINC000306134371 568768413 /nfs/dbraw/zinc/76/84/13/568768413.db2.gz NLEALKNZVSVUSB-AREMUKBSSA-N 1 1 446.551 2.527 40 0 IFABMO CC(C)N1CC[N@@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCc3cccnc3)cn21 ZINC000306134663 568768643 /nfs/dbraw/zinc/76/86/43/568768643.db2.gz NUXIOTZCTUFCNV-NRFANRHFSA-N 1 1 433.560 2.531 40 0 IFABMO COc1cccc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306134886 568768669 /nfs/dbraw/zinc/76/86/69/568768669.db2.gz OAMZMLMXGOEXAZ-AHWVRZQESA-N 1 1 444.535 2.882 40 0 IFABMO COc1cccc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)c1 ZINC000306134887 568768765 /nfs/dbraw/zinc/76/87/65/568768765.db2.gz OAMZMLMXGOEXAZ-AOYPEHQESA-N 1 1 444.535 2.882 40 0 IFABMO Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CC3(CCN(C(=O)Cc4ccccc4C)CC3)O2)cc1 ZINC000306136721 568769680 /nfs/dbraw/zinc/76/96/80/568769680.db2.gz QAZQGFVJEKWYKX-DEOSSOPVSA-N 1 1 449.595 2.854 40 0 IFABMO COc1ccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cc1 ZINC000306142476 568772726 /nfs/dbraw/zinc/77/27/26/568772726.db2.gz XAIVECPQYJGDFL-MSOLQXFVSA-N 1 1 433.512 2.852 40 0 IFABMO Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc2c1=O ZINC000257198670 568921717 /nfs/dbraw/zinc/92/17/17/568921717.db2.gz FRVAKXNDVPTLIH-DDOGDFNNSA-N 1 1 432.568 2.898 40 0 IFABMO Cn1nc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc2c1=O ZINC000257198671 568921733 /nfs/dbraw/zinc/92/17/33/568921733.db2.gz FRVAKXNDVPTLIH-IMVQFDEQSA-N 1 1 432.568 2.898 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)[C@H]3CCCO3)c3ccccn3)C2)cc1CO ZINC000247879835 569206297 /nfs/dbraw/zinc/20/62/97/569206297.db2.gz IJQKWVHSIMOULQ-WUMKDDEVSA-N 1 1 439.556 2.831 40 0 IFABMO COc1cccc(C[N@H+]2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1OC ZINC000012219525 569224891 /nfs/dbraw/zinc/22/48/91/569224891.db2.gz CRINLJYVKLZJOJ-SFHVURJKSA-N 1 1 437.544 2.964 40 0 IFABMO O=C1NC2(CC[NH+](CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ccccn2)CC1 ZINC000019699311 569230362 /nfs/dbraw/zinc/23/03/62/569230362.db2.gz JOISOFQPVMZKJP-UHFFFAOYSA-N 1 1 447.583 2.675 40 0 IFABMO Cc1nc([C@H]2CCN(C(=O)C[N@@H+](C)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCC1 ZINC000019757580 569237146 /nfs/dbraw/zinc/23/71/46/569237146.db2.gz OJYXKHOECFOYIT-IBGZPJMESA-N 1 1 439.535 2.608 40 0 IFABMO Cc1nc([C@H]2CCN(C(=O)C[N@H+](C)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCCC1 ZINC000019757580 569237147 /nfs/dbraw/zinc/23/71/47/569237147.db2.gz OJYXKHOECFOYIT-IBGZPJMESA-N 1 1 439.535 2.608 40 0 IFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000009359971 569295871 /nfs/dbraw/zinc/29/58/71/569295871.db2.gz ZPUIQBHQSAJUFT-VDNWNZSNSA-N 1 1 425.847 2.910 40 0 IFABMO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000009359971 569295872 /nfs/dbraw/zinc/29/58/72/569295872.db2.gz ZPUIQBHQSAJUFT-VDNWNZSNSA-N 1 1 425.847 2.910 40 0 IFABMO C[N@@H+]1CCN(C(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750689 569328432 /nfs/dbraw/zinc/32/84/32/569328432.db2.gz YYZMQKBXHHVNBV-JOCHJYFZSA-N 1 1 448.498 2.755 40 0 IFABMO C[N@H+]1CCN(C(=O)Cn2cccc(C(=O)Nc3ccc(F)cc3)c2=O)[C@@H](c2ccccc2)C1 ZINC000019750689 569328434 /nfs/dbraw/zinc/32/84/34/569328434.db2.gz YYZMQKBXHHVNBV-JOCHJYFZSA-N 1 1 448.498 2.755 40 0 IFABMO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)CC2 ZINC000329055497 569583167 /nfs/dbraw/zinc/58/31/67/569583167.db2.gz VOWGVVGJZFPDHF-UHFFFAOYSA-N 1 1 435.553 3.176 40 0 IFABMO COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CCc3ccccc32)cc1 ZINC000008635723 291347141 /nfs/dbraw/zinc/34/71/41/291347141.db2.gz UXNPLFMIGAAHOB-PWRODBHTSA-N 1 1 441.597 2.747 40 0 biogenic,in-vitro IFABMO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000012157733 521187391 /nfs/dbraw/zinc/18/73/91/521187391.db2.gz HCTHWKUFQDUHEZ-RXVVDRJESA-N 1 1 429.590 2.854 40 0 IFABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000035833185 524395452 /nfs/dbraw/zinc/39/54/52/524395452.db2.gz CKQHOCFSFLTMIJ-CROMWVBPSA-N 1 1 437.883 2.780 40 0 IFABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000035833185 524395464 /nfs/dbraw/zinc/39/54/64/524395464.db2.gz CKQHOCFSFLTMIJ-CROMWVBPSA-N 1 1 437.883 2.780 40 0 IFABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1N1CCCC1=O ZINC000020487140 525067960 /nfs/dbraw/zinc/06/79/60/525067960.db2.gz NDQRDPFUXNHIFI-UHFFFAOYSA-N 1 1 440.525 2.795 40 0 IFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000020458950 525383403 /nfs/dbraw/zinc/38/34/03/525383403.db2.gz QQFKUUWOHRISFQ-FGTMMUONSA-N 1 1 427.636 2.633 40 0 IFABMO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134189 555747017 /nfs/dbraw/zinc/74/70/17/555747017.db2.gz PSWBNFCDLVFUFQ-XHSDSOJGSA-N 1 1 434.496 2.563 40 0 IFABMO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134189 555747019 /nfs/dbraw/zinc/74/70/19/555747019.db2.gz PSWBNFCDLVFUFQ-XHSDSOJGSA-N 1 1 434.496 2.563 40 0 IFABMO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000408612027 555977337 /nfs/dbraw/zinc/97/73/37/555977337.db2.gz XZIZBVNDFGHLAD-UHFFFAOYSA-N 1 1 437.949 2.602 40 0 IFABMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713426 556285361 /nfs/dbraw/zinc/28/53/61/556285361.db2.gz KTYABCCWKOJTDT-QFIPXVFZSA-N 1 1 429.586 2.884 40 0 IFABMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715499 556286939 /nfs/dbraw/zinc/28/69/39/556286939.db2.gz RIFKTPUUAGUAHP-NRFANRHFSA-N 1 1 433.549 2.715 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1 ZINC000030753380 556503925 /nfs/dbraw/zinc/50/39/25/556503925.db2.gz IKYVMGAESFSMDI-UHFFFAOYSA-N 1 1 434.468 2.541 40 0 IFABMO COc1ccc(C)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(C)(=O)=O ZINC000030851302 556509020 /nfs/dbraw/zinc/50/90/20/556509020.db2.gz AZVMVFLVFBGXED-UHFFFAOYSA-N 1 1 442.541 2.580 40 0 IFABMO Cc1nn2c(nnc3c2ccn(CCC[NH+]2CCOCC2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396064 556638677 /nfs/dbraw/zinc/63/86/77/556638677.db2.gz AXRFVBFYLUZYMY-UHFFFAOYSA-N 1 1 438.919 2.790 40 0 IFABMO CCc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(C)(=O)=O ZINC000044901568 556678049 /nfs/dbraw/zinc/67/80/49/556678049.db2.gz VRFNGKMWNZQARP-UHFFFAOYSA-N 1 1 426.542 2.826 40 0 IFABMO C[C@H](C(=O)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1)[NH+]1CCCC1 ZINC000019077907 556695254 /nfs/dbraw/zinc/69/52/54/556695254.db2.gz BZWHBIZGLZXWCG-GOSISDBHSA-N 1 1 435.572 2.799 40 0 IFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2[C@H]2CCCN(c3nc(C)cc(C)n3)C2)on1 ZINC000019118765 556700660 /nfs/dbraw/zinc/70/06/60/556700660.db2.gz CPQQYKGTNFFAGH-IBGZPJMESA-N 1 1 448.575 2.983 40 0 IFABMO CC(=O)N[C@@H]1CO[C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccn4)cc3)[C@@H]2C[C@@]1(C)O ZINC000257222525 556707799 /nfs/dbraw/zinc/70/77/99/556707799.db2.gz DTPJBKCHFNPUHR-ZGFBMJKBSA-N 1 1 439.556 2.670 40 0 IFABMO Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019210477 556708863 /nfs/dbraw/zinc/70/88/63/556708863.db2.gz YZYUJQVZJIJIEN-HXUWFJFHSA-N 1 1 430.574 2.512 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000257293209 556716818 /nfs/dbraw/zinc/71/68/18/556716818.db2.gz QOOHCDSKQSSOOU-NGSHPTGOSA-N 1 1 447.510 2.958 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000257293209 556716821 /nfs/dbraw/zinc/71/68/21/556716821.db2.gz QOOHCDSKQSSOOU-NGSHPTGOSA-N 1 1 447.510 2.958 40 0 IFABMO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000257299391 556717045 /nfs/dbraw/zinc/71/70/45/556717045.db2.gz RPWVTYKPZYPWQQ-RUZDIDTESA-N 1 1 438.572 2.546 40 0 IFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 ZINC000019292924 556732364 /nfs/dbraw/zinc/73/23/64/556732364.db2.gz RIZIFIBRPMCKBR-MRXNPFEDSA-N 1 1 428.483 2.722 40 0 IFABMO O=C(c1cccs1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)[nH]c(=O)c2C1 ZINC000019342781 556740704 /nfs/dbraw/zinc/74/07/04/556740704.db2.gz BEDCHVQRIPABLT-QGZVFWFLSA-N 1 1 435.553 2.805 40 0 IFABMO O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019345477 556742257 /nfs/dbraw/zinc/74/22/57/556742257.db2.gz KWTKPMADOQWCAO-MRXNPFEDSA-N 1 1 436.512 2.841 40 0 IFABMO O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349296 556744051 /nfs/dbraw/zinc/74/40/51/556744051.db2.gz UVRHVPOOGKQLCB-JOCHJYFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(Cc1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349296 556744053 /nfs/dbraw/zinc/74/40/53/556744053.db2.gz UVRHVPOOGKQLCB-JOCHJYFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)C1 ZINC000019370662 556748030 /nfs/dbraw/zinc/74/80/30/556748030.db2.gz XICHFURBLIPHHO-OAQYLSRUSA-N 1 1 443.551 2.672 40 0 IFABMO O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)C1 ZINC000019370662 556748033 /nfs/dbraw/zinc/74/80/33/556748033.db2.gz XICHFURBLIPHHO-OAQYLSRUSA-N 1 1 443.551 2.672 40 0 IFABMO O=C(c1ccccn1)N1CCC(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000019372300 556748647 /nfs/dbraw/zinc/74/86/47/556748647.db2.gz VTMXTJZFFGHQRX-UHFFFAOYSA-N 1 1 429.524 2.743 40 0 IFABMO O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019403714 556754085 /nfs/dbraw/zinc/75/40/85/556754085.db2.gz VTCJBEUCUJFONY-NRFANRHFSA-N 1 1 436.560 2.866 40 0 IFABMO O=C(C[N@H+]1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC(c2ccncc2)CC1 ZINC000019405044 556754738 /nfs/dbraw/zinc/75/47/38/556754738.db2.gz MQOIXESPTKEOKJ-JOCHJYFZSA-N 1 1 449.599 2.950 40 0 IFABMO O=C([C@@H]1CC12CCC2)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019405322 556754861 /nfs/dbraw/zinc/75/48/61/556754861.db2.gz JALPJLODKMASBQ-FPOVZHCZSA-N 1 1 433.556 2.967 40 0 IFABMO O=C([C@@H]1CC12CCC2)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019405322 556754863 /nfs/dbraw/zinc/75/48/63/556754863.db2.gz JALPJLODKMASBQ-FPOVZHCZSA-N 1 1 433.556 2.967 40 0 IFABMO O=C(Cn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019406045 556755207 /nfs/dbraw/zinc/75/52/07/556755207.db2.gz CYBWXFGGUIBGGP-NRFANRHFSA-N 1 1 438.576 2.659 40 0 IFABMO CC(C)c1[nH+]ccn1CC(=O)N1CCC(c2cc(N(C)C)nc(-c3cnccn3)n2)CC1 ZINC000019454354 556764735 /nfs/dbraw/zinc/76/47/35/556764735.db2.gz DAXCQXCCVFWHMP-UHFFFAOYSA-N 1 1 434.548 2.726 40 0 IFABMO CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019499392 556771478 /nfs/dbraw/zinc/77/14/78/556771478.db2.gz LGBABQGTFJLYRI-HNAYVOBHSA-N 1 1 428.508 2.873 40 0 IFABMO CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019499393 556771503 /nfs/dbraw/zinc/77/15/03/556771503.db2.gz LGBABQGTFJLYRI-KXBFYZLASA-N 1 1 428.508 2.873 40 0 IFABMO CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C3CCC(C)CC3)[nH]c(=O)c2C1 ZINC000019524162 556781577 /nfs/dbraw/zinc/78/15/77/556781577.db2.gz MNLNFBHUHGIYTK-LBXVMSDZSA-N 1 1 438.576 2.900 40 0 IFABMO COc1cc(-c2cnc(NCCC[NH+]3CCOCC3)nc2-c2cccs2)nc(OC)n1 ZINC000019550385 556795372 /nfs/dbraw/zinc/79/53/72/556795372.db2.gz ALWIKXGYDVNVLY-UHFFFAOYSA-N 1 1 442.545 2.814 40 0 IFABMO Cc1cccc(N2CC[N@H+](C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@@H]2C)c1 ZINC000060016399 556805803 /nfs/dbraw/zinc/80/58/03/556805803.db2.gz JJZWQJXLFLTGNE-CYFREDJKSA-N 1 1 443.613 2.951 40 0 IFABMO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c1OC ZINC000019567552 556807616 /nfs/dbraw/zinc/80/76/16/556807616.db2.gz AYEJLTBPPIHKPS-NWMVZANLSA-N 1 1 429.517 2.631 40 0 IFABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)c4cccnc4)C3)[nH]c(=O)c2C1 ZINC000019570609 556810879 /nfs/dbraw/zinc/81/08/79/556810879.db2.gz DEAZATYXWCXEQQ-LJQANCHMSA-N 1 1 445.523 2.774 40 0 IFABMO COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C(C)C)C3)cc1C ZINC000019571431 556811635 /nfs/dbraw/zinc/81/16/35/556811635.db2.gz XZGQJPQUAXGEKA-IBGZPJMESA-N 1 1 446.573 2.792 40 0 IFABMO Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019572185 556812259 /nfs/dbraw/zinc/81/22/59/556812259.db2.gz MUESHGYLFHQQJZ-IBGZPJMESA-N 1 1 439.560 2.632 40 0 IFABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+](CCC(=O)N3CCOCC3)C2)n1 ZINC000019694655 556850838 /nfs/dbraw/zinc/85/08/38/556850838.db2.gz LFFPOKYYULIOOC-LJQANCHMSA-N 1 1 441.551 2.777 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC000019705820 556863279 /nfs/dbraw/zinc/86/32/79/556863279.db2.gz WIBUTPVHYRRBSF-OAQYLSRUSA-N 1 1 428.577 2.525 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC000019705821 556863308 /nfs/dbraw/zinc/86/33/08/556863308.db2.gz WIBUTPVHYRRBSF-NRFANRHFSA-N 1 1 428.577 2.525 40 0 IFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](C)C3)nc(N(C)CCOc3ccccc3F)c2C1 ZINC000019711321 556875501 /nfs/dbraw/zinc/87/55/01/556875501.db2.gz JTTPTZPROKAHKY-GOSISDBHSA-N 1 1 441.551 2.845 40 0 IFABMO C[N@@H+]1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)[C@H](c2ccccc2)C1 ZINC000019751674 556895683 /nfs/dbraw/zinc/89/56/83/556895683.db2.gz DCQCPCAXGOQJJH-QFIPXVFZSA-N 1 1 448.498 2.755 40 0 IFABMO C[N@H+]1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)[C@H](c2ccccc2)C1 ZINC000019751674 556895689 /nfs/dbraw/zinc/89/56/89/556895689.db2.gz DCQCPCAXGOQJJH-QFIPXVFZSA-N 1 1 448.498 2.755 40 0 IFABMO C[N@@H+]1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)[C@@H](c2ccccc2)C1 ZINC000019751672 556895700 /nfs/dbraw/zinc/89/57/00/556895700.db2.gz DCQCPCAXGOQJJH-JOCHJYFZSA-N 1 1 448.498 2.755 40 0 IFABMO C[N@H+]1CCN(C(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)[C@@H](c2ccccc2)C1 ZINC000019751672 556895705 /nfs/dbraw/zinc/89/57/05/556895705.db2.gz DCQCPCAXGOQJJH-JOCHJYFZSA-N 1 1 448.498 2.755 40 0 IFABMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3nccs3)CC2)C1 ZINC000019756462 556900283 /nfs/dbraw/zinc/90/02/83/556900283.db2.gz VIJHPQNKTSARFB-MRXNPFEDSA-N 1 1 444.605 2.642 40 0 IFABMO Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(C(=O)N4CC[NH+](C)CC4)c4ccccc4n3)C2)o1 ZINC000019761251 556904428 /nfs/dbraw/zinc/90/44/28/556904428.db2.gz MSICIHCVWBFUOX-GOSISDBHSA-N 1 1 447.539 2.857 40 0 IFABMO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](C(=O)NC(C)(C)C)[C@]3(C2)Cc2ccccc2C(=O)N3)cc1 ZINC000072334513 556907136 /nfs/dbraw/zinc/90/71/36/556907136.db2.gz DVHXXUWGRRPBSU-BKMJKUGQSA-N 1 1 448.567 2.716 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)ccc1OCC(N)=O ZINC000072353451 556926847 /nfs/dbraw/zinc/92/68/47/556926847.db2.gz JEMRRNQXROOUQP-GOSISDBHSA-N 1 1 448.527 2.868 40 0 IFABMO CCOc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4nc(C)n5ccccc45)C[C@H]32)c(OCC)n1 ZINC000072392650 556963840 /nfs/dbraw/zinc/96/38/40/556963840.db2.gz LEJMWLDIQMBZJZ-RGZWJVDOSA-N 1 1 437.544 2.960 40 0 IFABMO CCOc1ncc([C@]2(O)CC[C@H]3CN(Cc4[nH+]c(C)n5ccccc45)C[C@H]32)c(OCC)n1 ZINC000072392650 556963843 /nfs/dbraw/zinc/96/38/43/556963843.db2.gz LEJMWLDIQMBZJZ-RGZWJVDOSA-N 1 1 437.544 2.960 40 0 IFABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(Oc5ncccn5)c4)C[C@H]32)c(OC)n1 ZINC000072392635 556963982 /nfs/dbraw/zinc/96/39/82/556963982.db2.gz PRXUASPVQXPOIC-WPSZSDGUSA-N 1 1 449.511 2.806 40 0 IFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3cnc(N4CCCCC4)nc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393251 556964296 /nfs/dbraw/zinc/96/42/96/556964296.db2.gz ROBRHKVZENMLPY-IBGZPJMESA-N 1 1 431.544 2.992 40 0 IFABMO COc1c(C)c[nH+]c(CN2CCC3(CC2)CN(S(C)(=O)=O)Cc2ccccc2O3)c1C ZINC000072394442 556965939 /nfs/dbraw/zinc/96/59/39/556965939.db2.gz SSMRRSYXHHRNAE-UHFFFAOYSA-N 1 1 445.585 2.896 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000020043706 556972674 /nfs/dbraw/zinc/97/26/74/556972674.db2.gz PSWFPWQMKXLNCJ-GOSISDBHSA-N 1 1 427.636 2.920 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020105242 556982206 /nfs/dbraw/zinc/98/22/06/556982206.db2.gz MMHDITDVCGXWHD-JOCHJYFZSA-N 1 1 435.634 2.999 40 0 IFABMO C[N@@H+](C[C@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585104541 557037500 /nfs/dbraw/zinc/03/75/00/557037500.db2.gz QADCGHFHNREWRI-YPAWHYETSA-N 1 1 436.618 2.623 40 0 IFABMO CN1C(=O)[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096143575 557170367 /nfs/dbraw/zinc/17/03/67/557170367.db2.gz ZFLXUHRDNPIOPY-LEWJYISDSA-N 1 1 438.959 2.930 40 0 IFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)NCc3cccc(F)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144227 557171767 /nfs/dbraw/zinc/17/17/67/557171767.db2.gz CGWDNEFECHDMPO-XMMPIXPASA-N 1 1 430.568 2.938 40 0 IFABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)COc2ccccc2)CC3)C1=O ZINC000096144333 557172144 /nfs/dbraw/zinc/17/21/44/557172144.db2.gz TZQVFYBDRZWQFS-VWLOTQADSA-N 1 1 427.589 2.884 40 0 IFABMO C[N@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(S(=O)(=O)Cc3ccccc3)CC[C@@H]12 ZINC000096145281 557174709 /nfs/dbraw/zinc/17/47/09/557174709.db2.gz IKPMIFNRHMYYLK-FYYLOGMGSA-N 1 1 427.570 2.941 40 0 IFABMO 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O=S1(=O)c2ccccc2O[C@@]2(CC[N@@H+](Cc3ccncc3)C2)CN1Cc1ccccn1 ZINC000306137478 568770281 /nfs/dbraw/zinc/77/02/81/568770281.db2.gz QXMBFZZCKZVOHN-HSZRJFAPSA-N 1 1 436.537 2.705 40 0 IFABMO O=C(NC[C@@H]1CC[C@]2(COCC[N@H+](Cc3c[nH]c4ccc(F)cc34)C2)O1)c1cccnc1 ZINC000306138342 568770359 /nfs/dbraw/zinc/77/03/59/568770359.db2.gz RVFKEFGKCGWNJA-RDPSFJRHSA-N 1 1 438.503 2.882 40 0 IFABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)s1 ZINC000306138753 568770618 /nfs/dbraw/zinc/77/06/18/568770618.db2.gz SGIIZUPYOWHMGU-QFIPXVFZSA-N 1 1 428.606 2.801 40 0 IFABMO COc1ccc(CN2CCO[C@@]3(C[N@@H+](Cc4ccccn4)C[C@@H]3c3cccnc3)C2=O)cc1 ZINC000306138709 568770662 /nfs/dbraw/zinc/77/06/62/568770662.db2.gz SEWGFURLIKUMSB-AOYPEHQESA-N 1 1 444.535 2.882 40 0 IFABMO COc1ccc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cc1 ZINC000306138892 568771087 /nfs/dbraw/zinc/77/10/87/568771087.db2.gz SKGZTOYPPFTCHU-AOYPEHQESA-N 1 1 444.535 2.882 40 0 IFABMO 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COc1ccc(C[N@@H+]2CC[C@@H](NS(C)(=O)=O)[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143118 568773189 /nfs/dbraw/zinc/77/31/89/568773189.db2.gz XTOYAZDHDAFPOQ-YADHBBJMSA-N 1 1 449.642 2.773 40 0 IFABMO COc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000306143118 568773190 /nfs/dbraw/zinc/77/31/90/568773190.db2.gz XTOYAZDHDAFPOQ-YADHBBJMSA-N 1 1 449.642 2.773 40 0 IFABMO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000103507536 568897047 /nfs/dbraw/zinc/89/70/47/568897047.db2.gz RMUNWQPYCXCXOC-PIXQIBFHSA-N 1 1 443.503 2.735 40 0 IFABMO CCN1c2ccccc2[C@]2(C1=O)[C@H]1C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103507536 568897049 /nfs/dbraw/zinc/89/70/49/568897049.db2.gz RMUNWQPYCXCXOC-PIXQIBFHSA-N 1 1 443.503 2.735 40 0 IFABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccncc2)C3)C1 ZINC000247951961 569206516 /nfs/dbraw/zinc/20/65/16/569206516.db2.gz SZOITKIURBBZOI-IWQHBPENSA-N 1 1 433.556 2.888 40 0 IFABMO O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccncc2)C3)C1 ZINC000247951961 569206518 /nfs/dbraw/zinc/20/65/18/569206518.db2.gz SZOITKIURBBZOI-IWQHBPENSA-N 1 1 433.556 2.888 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c(OC)c1 ZINC000012219513 569224878 /nfs/dbraw/zinc/22/48/78/569224878.db2.gz ALJRRBXMDIXKMA-IBGZPJMESA-N 1 1 437.544 2.964 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1OC ZINC000012219506 569224935 /nfs/dbraw/zinc/22/49/35/569224935.db2.gz ONSYXVGVXIXUPS-LJQANCHMSA-N 1 1 437.544 2.964 40 0 IFABMO O=C([C@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccs1)C2 ZINC000019343672 569226320 /nfs/dbraw/zinc/22/63/20/569226320.db2.gz JXQVRBVMMRDDRI-RTBURBONSA-N 1 1 428.558 2.622 40 0 IFABMO O=C([C@H]1CCCO1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccs1)C2 ZINC000019343672 569226322 /nfs/dbraw/zinc/22/63/22/569226322.db2.gz JXQVRBVMMRDDRI-RTBURBONSA-N 1 1 428.558 2.622 40 0 IFABMO Cc1cc(N2CCO[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)nc(C)[nH+]1 ZINC000019702846 569232420 /nfs/dbraw/zinc/23/24/20/569232420.db2.gz KOCKEQBKZOXGLM-QGZVFWFLSA-N 1 1 439.541 2.753 40 0 IFABMO CC(C)N1C[C@@H](C(=O)NCc2cnn(-c3ccccc3)c2[C@H]2CC[N@H+](C(C)C)C2)CC1=O ZINC000019707915 569234644 /nfs/dbraw/zinc/23/46/44/569234644.db2.gz NTBHFSUZDNIRTC-PMACEKPBSA-N 1 1 437.588 2.943 40 0 IFABMO Cc1nc([C@H]2CCCCN2C(=O)C[N@H+](C)Cc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000019751814 569236759 /nfs/dbraw/zinc/23/67/59/569236759.db2.gz WHFLSBRJZQRCER-HXUWFJFHSA-N 1 1 427.524 2.812 40 0 IFABMO Cc1nc([C@H]2CCCCN2C(=O)C[N@@H+](C)Cc2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000019751814 569236760 /nfs/dbraw/zinc/23/67/60/569236760.db2.gz WHFLSBRJZQRCER-HXUWFJFHSA-N 1 1 427.524 2.812 40 0 IFABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](CC1CC1)CC2=O)NC1CC1 ZINC000253397550 569264845 /nfs/dbraw/zinc/26/48/45/569264845.db2.gz FTWJNSLBLBFLEN-ICUQECBGSA-N 1 1 437.584 2.981 40 0 IFABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](CC1CC1)CC2=O)NC1CC1 ZINC000253397550 569264846 /nfs/dbraw/zinc/26/48/46/569264846.db2.gz FTWJNSLBLBFLEN-ICUQECBGSA-N 1 1 437.584 2.981 40 0 IFABMO COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@@H+](C)Cc2ccccc2)cc1 ZINC000067870697 291347118 /nfs/dbraw/zinc/34/71/18/291347118.db2.gz FVUIHLYIFBWIKB-FDFHNCONSA-N 1 1 443.613 2.816 40 0 biogenic,in-vitro IFABMO CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000012113166 519642639 /nfs/dbraw/zinc/64/26/39/519642639.db2.gz HZCYUEVXTICWCF-UHFFFAOYSA-N 1 1 436.556 2.589 40 0 IFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000020490200 525383581 /nfs/dbraw/zinc/38/35/81/525383581.db2.gz CAJDELSMBHJZMD-BGYRXZFFSA-N 1 1 435.634 2.713 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020494217 527384473 /nfs/dbraw/zinc/38/44/73/527384473.db2.gz MCZFHQPCDGNPEZ-UHFFFAOYSA-N 1 1 432.933 2.917 40 0 IFABMO Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000408591735 555952575 /nfs/dbraw/zinc/95/25/75/555952575.db2.gz JHZKCHRDUGGUAB-UHFFFAOYSA-N 1 1 445.585 2.567 40 0 IFABMO CSc1nc2sc(C(=O)NCCC[NH+]3CCOCC3)cc2c(N2CCCCC2)n1 ZINC000408635961 556014674 /nfs/dbraw/zinc/01/46/74/556014674.db2.gz KMELGWVBUQIDPF-UHFFFAOYSA-N 1 1 435.619 2.856 40 0 IFABMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713424 556285413 /nfs/dbraw/zinc/28/54/13/556285413.db2.gz KTYABCCWKOJTDT-JOCHJYFZSA-N 1 1 429.586 2.884 40 0 IFABMO COc1cccc(OC)c1C[N@H+]1CCC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000012219496 556403073 /nfs/dbraw/zinc/40/30/73/556403073.db2.gz WDGDYQNUFIUMRY-GOSISDBHSA-N 1 1 437.544 2.964 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000030857746 556510507 /nfs/dbraw/zinc/51/05/07/556510507.db2.gz KYZGLNWEIQQSCA-QGZVFWFLSA-N 1 1 426.542 2.960 40 0 IFABMO O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCOCC3)[nH]c(=O)c2C1 ZINC000019014774 556692073 /nfs/dbraw/zinc/69/20/73/556692073.db2.gz ZEDIOPUVMKGKSO-NRFANRHFSA-N 1 1 428.577 2.941 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000260408752 556694087 /nfs/dbraw/zinc/69/40/87/556694087.db2.gz LBOCQEZAMQFTGK-ZWKOTPCHSA-N 1 1 427.636 2.920 40 0 IFABMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)n(C)c(=O)n3C)C[C@]12CCCCC(=O)N2 ZINC000257235493 556709786 /nfs/dbraw/zinc/70/97/86/556709786.db2.gz GYCGETJEYHFAKB-RXFWQSSRSA-N 1 1 448.567 2.914 40 0 IFABMO Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CC[N@@H+](C)Cc4ccccn4)C3)c2N)cc1 ZINC000019213191 556710774 /nfs/dbraw/zinc/71/07/74/556710774.db2.gz FLMJSSCGSJWKHC-IBGZPJMESA-N 1 1 446.555 2.711 40 0 IFABMO Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CC[N@H+](C)Cc4ccccn4)C3)c2N)cc1 ZINC000019213191 556710777 /nfs/dbraw/zinc/71/07/77/556710777.db2.gz FLMJSSCGSJWKHC-IBGZPJMESA-N 1 1 446.555 2.711 40 0 IFABMO Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CC[N@@H+](C)Cc4cccnc4)C3)c2N)cc1 ZINC000019213194 556710803 /nfs/dbraw/zinc/71/08/03/556710803.db2.gz HMWUYZPGYCGNQU-HXUWFJFHSA-N 1 1 446.555 2.711 40 0 IFABMO Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CC[N@H+](C)Cc4cccnc4)C3)c2N)cc1 ZINC000019213194 556710804 /nfs/dbraw/zinc/71/08/04/556710804.db2.gz HMWUYZPGYCGNQU-HXUWFJFHSA-N 1 1 446.555 2.711 40 0 IFABMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(N)=O)cc1NCc1cccnc1 ZINC000257303201 556717341 /nfs/dbraw/zinc/71/73/41/556717341.db2.gz SGEMXIMJNSIHRG-XMMPIXPASA-N 1 1 443.551 2.814 40 0 IFABMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(N)=O)cc1NCc1cccnc1 ZINC000257303201 556717344 /nfs/dbraw/zinc/71/73/44/556717344.db2.gz SGEMXIMJNSIHRG-XMMPIXPASA-N 1 1 443.551 2.814 40 0 IFABMO Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)c1 ZINC000019234719 556719057 /nfs/dbraw/zinc/71/90/57/556719057.db2.gz HHXZYLBCOHDBIM-HSZRJFAPSA-N 1 1 443.551 2.938 40 0 IFABMO Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)c1 ZINC000019234719 556719059 /nfs/dbraw/zinc/71/90/59/556719059.db2.gz HHXZYLBCOHDBIM-HSZRJFAPSA-N 1 1 443.551 2.938 40 0 IFABMO Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)nc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236386 556721192 /nfs/dbraw/zinc/72/11/92/556721192.db2.gz IGSRXEZLHYVEOT-SQJMNOBHSA-N 1 1 435.572 2.650 40 0 IFABMO O=C(c1ccncc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349313 556744576 /nfs/dbraw/zinc/74/45/76/556744576.db2.gz YCPHUXWVOUQXCE-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccncc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349313 556744579 /nfs/dbraw/zinc/74/45/79/556744579.db2.gz YCPHUXWVOUQXCE-OAQYLSRUSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(NCCCn1cncn1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372558 556749052 /nfs/dbraw/zinc/74/90/52/556749052.db2.gz HDTXHQUZEMJPKX-FGZHOGPDSA-N 1 1 435.503 2.555 40 0 IFABMO C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459030 556766550 /nfs/dbraw/zinc/76/65/50/556766550.db2.gz WYUUSSLKNWGKSU-NQIIRXRSSA-N 1 1 443.551 2.843 40 0 IFABMO C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1)c1ccccc1 ZINC000019459030 556766552 /nfs/dbraw/zinc/76/65/52/556766552.db2.gz WYUUSSLKNWGKSU-NQIIRXRSSA-N 1 1 443.551 2.843 40 0 IFABMO CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019499391 556771570 /nfs/dbraw/zinc/77/15/70/556771570.db2.gz LGBABQGTFJLYRI-BEFAXECRSA-N 1 1 428.508 2.873 40 0 IFABMO CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C[C@H]3CC=CCC3)[nH]c(=O)c2C1 ZINC000019524165 556781602 /nfs/dbraw/zinc/78/16/02/556781602.db2.gz QWPHMSAXUAZNNC-PXNSSMCTSA-N 1 1 436.560 2.678 40 0 IFABMO CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(Cc3ncccc3C)C[C@H]2C1=O ZINC000019526396 556784587 /nfs/dbraw/zinc/78/45/87/556784587.db2.gz AVMXFEUCEYQGQT-LVXARBLLSA-N 1 1 449.599 2.699 40 0 IFABMO Cc1nn(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)c(C)c1C ZINC000019556496 556798953 /nfs/dbraw/zinc/79/89/53/556798953.db2.gz GCPCWQADSIUDMA-HXUWFJFHSA-N 1 1 426.565 2.824 40 0 IFABMO CN(C)c1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019587769 556824144 /nfs/dbraw/zinc/82/41/44/556824144.db2.gz ULLRGPLSFQEWMZ-SIKLNZKXSA-N 1 1 440.567 2.853 40 0 IFABMO CN(C)c1ncc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019587769 556824146 /nfs/dbraw/zinc/82/41/46/556824146.db2.gz ULLRGPLSFQEWMZ-SIKLNZKXSA-N 1 1 440.567 2.853 40 0 IFABMO C[NH+]1CCN(c2ncc(-c3ccncc3)c([C@H]3CCCN(C(=O)c4ccco4)C3)n2)CC1 ZINC000019590120 556825050 /nfs/dbraw/zinc/82/50/50/556825050.db2.gz RBOCOPIILLJGHW-IBGZPJMESA-N 1 1 432.528 2.903 40 0 IFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)CCN(C)c1cccc(F)c1)CC2 ZINC000019710240 556872309 /nfs/dbraw/zinc/87/23/09/556872309.db2.gz XXQZNDICBYPRPL-QGZVFWFLSA-N 1 1 440.567 2.878 40 0 IFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(NCCOc3ccc(F)cc3)c2C1 ZINC000019711294 556875567 /nfs/dbraw/zinc/87/55/67/556875567.db2.gz MIRYUCQJDMEWRS-QGZVFWFLSA-N 1 1 427.524 2.820 40 0 IFABMO Cn1c(=O)c2ccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)nc2n(Cc2ccccc2)c1=O ZINC000019743063 556887028 /nfs/dbraw/zinc/88/70/28/556887028.db2.gz YZEFQROFEDUXEX-HXUWFJFHSA-N 1 1 441.535 2.918 40 0 IFABMO Cc1cc(N2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000019759402 556902962 /nfs/dbraw/zinc/90/29/62/556902962.db2.gz SVTNXONHZUAAQH-JOCHJYFZSA-N 1 1 433.512 2.692 40 0 IFABMO CCOC(=O)[C@@H]1C[N@@H+](CCCCOc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334290 556906960 /nfs/dbraw/zinc/90/69/60/556906960.db2.gz DKVCBIRWDIWIOX-OFVILXPXSA-N 1 1 438.524 2.902 40 0 IFABMO COc1ccc(NC(=O)c2cnc(C3CC[NH+](CC(=O)N4CCCC4)CC3)nc2C)cc1 ZINC000019766328 556911643 /nfs/dbraw/zinc/91/16/43/556911643.db2.gz ZTIXTNYNIUVIQG-UHFFFAOYSA-N 1 1 437.544 2.848 40 0 IFABMO COC(=O)[C@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340235 556912363 /nfs/dbraw/zinc/91/23/63/556912363.db2.gz CEFIGYGDDALBDP-QJHDXQOESA-N 1 1 430.520 2.940 40 0 IFABMO COC(=O)[C@]1(CC(=O)N2CCC[C@@H](C)C2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340235 556912365 /nfs/dbraw/zinc/91/23/65/556912365.db2.gz CEFIGYGDDALBDP-QJHDXQOESA-N 1 1 430.520 2.940 40 0 IFABMO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@@H+](CC(=O)N3CCC(C(N)=O)CC3)C2)n1 ZINC000072353924 556928672 /nfs/dbraw/zinc/92/86/72/556928672.db2.gz XWCBYFGUHZEKEL-HSZRJFAPSA-N 1 1 434.584 2.884 40 0 IFABMO O=C(C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1)N1CCCC1 ZINC000072356002 556930481 /nfs/dbraw/zinc/93/04/81/556930481.db2.gz CYFWVHBDRDCXNW-KRWDZBQOSA-N 1 1 427.570 2.785 40 0 IFABMO O=C(C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1)N1CCCC1 ZINC000072356002 556930483 /nfs/dbraw/zinc/93/04/83/556930483.db2.gz CYFWVHBDRDCXNW-KRWDZBQOSA-N 1 1 427.570 2.785 40 0 IFABMO O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1nnc(CC[N@H+]2CCc3ccccc3C2)s1 ZINC000072391482 556962080 /nfs/dbraw/zinc/96/20/80/556962080.db2.gz BSOVVHDCRGFQGX-LJQANCHMSA-N 1 1 449.536 2.867 40 0 IFABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cn(C)c5ccc(F)cc45)C[C@H]32)c(OC)n1 ZINC000072392620 556964019 /nfs/dbraw/zinc/96/40/19/556964019.db2.gz QYPSDOOEDAPTAO-LEDSTXDGSA-N 1 1 426.492 2.854 40 0 IFABMO COc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccc(Oc5ncccn5)cc4)C[C@@H]32)c(OC)n1 ZINC000072395415 556967411 /nfs/dbraw/zinc/96/74/11/556967411.db2.gz OAZZIUJICVXTEU-YQOVMPOYSA-N 1 1 449.511 2.806 40 0 IFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000020034982 556969631 /nfs/dbraw/zinc/96/96/31/556969631.db2.gz WUJGMCVCGYCATE-CALCHBBNSA-N 1 1 427.636 2.633 40 0 IFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2c(=O)[nH]c(N3C[C@H](C)O[C@@H](C)C3)nc2C1 ZINC000257293013 556999591 /nfs/dbraw/zinc/99/95/91/556999591.db2.gz QNUMIIOHSBFBEM-IKGGRYGDSA-N 1 1 440.544 2.761 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000020244348 557002348 /nfs/dbraw/zinc/00/23/48/557002348.db2.gz XXICGDFEVXNDLZ-HXUWFJFHSA-N 1 1 438.638 2.687 40 0 IFABMO O=C1C[C@]2(CN1Cc1cncs1)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585103631 557035846 /nfs/dbraw/zinc/03/58/46/557035846.db2.gz LHPILRRRTFYCBU-NRFANRHFSA-N 1 1 441.582 2.913 40 0 IFABMO COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)Cc5ccn(C)n5)CCO4)[nH+]cn3c2)cc1 ZINC000585113175 557044929 /nfs/dbraw/zinc/04/49/29/557044929.db2.gz WSPWEXGEKFTAMT-QFIPXVFZSA-N 1 1 431.496 2.886 40 0 IFABMO C[NH+]1CCN(C(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000409412433 557108689 /nfs/dbraw/zinc/10/86/89/557108689.db2.gz WTDDTIPENUKVPG-UHFFFAOYSA-N 1 1 442.368 2.963 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccccn4)CC3)c3ccccc32)CC1 ZINC000096052959 557166391 /nfs/dbraw/zinc/16/63/91/557166391.db2.gz XNIZCKIFAOLHSJ-HXUWFJFHSA-N 1 1 432.568 2.907 40 0 IFABMO COc1cccc(NC(=O)N2CCC3(C[N@@H+](Cc4cccnc4)C[C@@]34CCNC4=O)CC2)c1 ZINC000096091182 557168834 /nfs/dbraw/zinc/16/88/34/557168834.db2.gz VXCKAZKUQPRRQT-RUZDIDTESA-N 1 1 449.555 2.726 40 0 IFABMO COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000096236466 557185367 /nfs/dbraw/zinc/18/53/67/557185367.db2.gz NWHFPEJZKCTXDU-SFHVURJKSA-N 1 1 425.529 2.957 40 0 IFABMO CN(C)c1nc(N2CCC3(CC2)CN(C(=O)C2CCOCC2)Cc2ccccc23)cc[nH+]1 ZINC000096242650 557186578 /nfs/dbraw/zinc/18/65/78/557186578.db2.gz BWAXOXKFRAJHMR-UHFFFAOYSA-N 1 1 435.572 2.850 40 0 IFABMO CC(=O)N[C@]12C[N@H+](CC3(O)CCN(c4ccccc4)CC3)[C@H](c3ccccc3)[C@H]1CCNC2 ZINC000585262103 557200468 /nfs/dbraw/zinc/20/04/68/557200468.db2.gz RSWMLRKWGMJWBQ-RGSZASNESA-N 1 1 448.611 2.559 40 0 IFABMO CC(=O)N[C@]12C[N@@H+](CC3(O)CCN(c4ccccc4)CC3)[C@H](c3ccccc3)[C@H]1CCNC2 ZINC000585262103 557200472 /nfs/dbraw/zinc/20/04/72/557200472.db2.gz RSWMLRKWGMJWBQ-RGSZASNESA-N 1 1 448.611 2.559 40 0 IFABMO COCCOc1cc(CN2CC[C@](O)(C[N@@H+](C)Cc3ccc(OC)cc3)C2)ccc1OC ZINC000585269611 557212382 /nfs/dbraw/zinc/21/23/82/557212382.db2.gz BIUOCRXSBPGZPW-VWLOTQADSA-N 1 1 444.572 2.798 40 0 IFABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)NCc3cccc4c3OCO4)CC2)cc1 ZINC000585271490 557213420 /nfs/dbraw/zinc/21/34/20/557213420.db2.gz AGQKLWVFYHKFQL-DEOSSOPVSA-N 1 1 426.513 2.636 40 0 IFABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000585269799 557213690 /nfs/dbraw/zinc/21/36/90/557213690.db2.gz KGFMNFTWSVGJSI-NRFANRHFSA-N 1 1 442.556 2.958 40 0 IFABMO O[C@@]1(COc2ccc(F)cc2)COCC[N@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585273149 557215501 /nfs/dbraw/zinc/21/55/01/557215501.db2.gz ATJSBVFMJMFPGZ-XMMPIXPASA-N 1 1 441.503 2.744 40 0 IFABMO O[C@@]1(COc2ccc(F)cc2)COCC[N@@H+](Cc2cccc(OCCn3cccn3)c2)C1 ZINC000585273149 557215503 /nfs/dbraw/zinc/21/55/03/557215503.db2.gz ATJSBVFMJMFPGZ-XMMPIXPASA-N 1 1 441.503 2.744 40 0 IFABMO CCOC(=O)N1CCC([N@H+]2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585282046 557221108 /nfs/dbraw/zinc/22/11/08/557221108.db2.gz GHUNRVRADDRBQE-HXUWFJFHSA-N 1 1 430.904 2.542 40 0 IFABMO CCCC(CCC)[N@H+]1CCN(C(=O)COC)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585283561 557223118 /nfs/dbraw/zinc/22/31/18/557223118.db2.gz RXZJBXIHVVJJAC-JOCHJYFZSA-N 1 1 428.520 2.834 40 0 IFABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCOC[C@](O)(COc4ccc(F)cc4)C3)CC2)c1 ZINC000585284946 557224398 /nfs/dbraw/zinc/22/43/98/557224398.db2.gz BCXKTSQZNJMXKX-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO Cc1ccc(OC[C@]2(O)COCC[N@@H+](CC3(O)CCN(c4ccc(C)cc4)CC3)C2)cc1 ZINC000585285274 557224994 /nfs/dbraw/zinc/22/49/94/557224994.db2.gz WVUMQPQJFPKUQA-AREMUKBSSA-N 1 1 440.584 2.777 40 0 IFABMO Cc1ccccc1N1CCC(O)(C[N@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287596 557227720 /nfs/dbraw/zinc/22/77/20/557227720.db2.gz PKNJSJAEQBISCO-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022928974 557277043 /nfs/dbraw/zinc/27/70/43/557277043.db2.gz QMHVCKKLCWOWOC-RPWUZVMVSA-N 1 1 448.571 2.768 40 0 IFABMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1ccccc1F)S(C)(=O)=O ZINC000220591788 557302104 /nfs/dbraw/zinc/30/21/04/557302104.db2.gz FLCOKTHVCSPHAQ-FQEVSTJZSA-N 1 1 433.549 2.715 40 0 IFABMO CCOc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000014155509 557427202 /nfs/dbraw/zinc/42/72/02/557427202.db2.gz FYDAXXHKEJAUCB-UHFFFAOYSA-N 1 1 449.548 2.584 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000223097730 557431057 /nfs/dbraw/zinc/43/10/57/557431057.db2.gz FZCLQAKDDFSBFZ-UHFFFAOYSA-N 1 1 436.537 2.958 40 0 IFABMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 ZINC000026109772 557439591 /nfs/dbraw/zinc/43/95/91/557439591.db2.gz RBBFNKKZAJZBQB-OAHLLOKOSA-N 1 1 448.416 2.699 40 0 IFABMO COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019593939 557506140 /nfs/dbraw/zinc/50/61/40/557506140.db2.gz XQRZJXSPBRZVBM-NRFANRHFSA-N 1 1 426.952 2.880 40 0 IFABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)cc12 ZINC000019940864 557510373 /nfs/dbraw/zinc/51/03/73/557510373.db2.gz OLFWWERYUJPYIT-QFIPXVFZSA-N 1 1 435.576 2.973 40 0 IFABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)cc12 ZINC000019940886 557510458 /nfs/dbraw/zinc/51/04/58/557510458.db2.gz SLBFFSWPQDGFDN-QHCPKHFHSA-N 1 1 443.555 2.517 40 0 IFABMO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000020237494 557518983 /nfs/dbraw/zinc/51/89/83/557518983.db2.gz KDPLOWPFVYCZCG-UHFFFAOYSA-N 1 1 435.977 2.759 40 0 IFABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224826722 557656014 /nfs/dbraw/zinc/65/60/14/557656014.db2.gz VQOSXJNFEDJXKV-UHFFFAOYSA-N 1 1 445.585 2.602 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225507918 557731897 /nfs/dbraw/zinc/73/18/97/557731897.db2.gz GSBZEAIKPVWYHT-FQEVSTJZSA-N 1 1 438.553 2.898 40 0 IFABMO CN(c1cccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1)S(C)(=O)=O ZINC000225743159 557771719 /nfs/dbraw/zinc/77/17/19/557771719.db2.gz BUJQUBCOGQBEAQ-UHFFFAOYSA-N 1 1 432.615 2.817 40 0 IFABMO c1ccc2c(c1)nc1n2[C@@H]([C@H]2CC=CCC2)NC2=NCN(CCC[NH+]3CCOCC3)CN12 ZINC000059619754 557824244 /nfs/dbraw/zinc/82/42/44/557824244.db2.gz KWRZLJDGRAGQCY-UGKGYDQZSA-N 1 1 435.576 2.610 40 0 IFABMO CCOc1ccc([C@@H](c2nnnn2CCOC)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096299525 557838222 /nfs/dbraw/zinc/83/82/22/557838222.db2.gz OGRAYXBEHBXDNY-QHCPKHFHSA-N 1 1 436.560 2.625 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000260800783 557857672 /nfs/dbraw/zinc/85/76/72/557857672.db2.gz XBHTWLUYXAKLOA-MSOLQXFVSA-N 1 1 425.595 2.621 40 0 IFABMO C[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1 ZINC000260801539 557857739 /nfs/dbraw/zinc/85/77/39/557857739.db2.gz BHSUKGMISTUFEU-ROUUACIJSA-N 1 1 442.025 2.979 40 0 IFABMO COc1ccc2c3c1O[C@]1(C)[C@@H](OC(C)=O)C=C[C@@]4(Br)[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000253504242 560038395 /nfs/dbraw/zinc/03/83/95/560038395.db2.gz DOUIIQXGCWGWBD-DPDIENECSA-N 1 1 434.330 2.980 40 0 biogenic,in-vitro IFABMO OCCOCCOCC[NH+]1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC000013861678 563012786 /nfs/dbraw/zinc/01/27/86/563012786.db2.gz JWFSUEASTFEYFJ-UHFFFAOYSA-N 1 1 427.570 2.873 40 0 IFABMO COc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCN3CCCC3=O)cc2)cc1 ZINC000585270009 568616844 /nfs/dbraw/zinc/61/68/44/568616844.db2.gz AYKRXJKPMYLSNO-FQEVSTJZSA-N 1 1 428.529 2.568 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)ccc1OCCn1cnnc1 ZINC000585270032 568616916 /nfs/dbraw/zinc/61/69/16/568616916.db2.gz APYOQDFPZSEQMD-XMMPIXPASA-N 1 1 438.528 2.772 40 0 IFABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)c1 ZINC000585274708 568618423 /nfs/dbraw/zinc/61/84/23/568618423.db2.gz YUDJYDCPYZOIEJ-HSZRJFAPSA-N 1 1 446.931 2.899 40 0 IFABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)c1 ZINC000585274708 568618424 /nfs/dbraw/zinc/61/84/24/568618424.db2.gz YUDJYDCPYZOIEJ-HSZRJFAPSA-N 1 1 446.931 2.899 40 0 IFABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000585274572 568618640 /nfs/dbraw/zinc/61/86/40/568618640.db2.gz WYKIPTGDNPSPLV-UHFFFAOYSA-N 1 1 426.513 2.554 40 0 IFABMO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257216318 568672564 /nfs/dbraw/zinc/67/25/64/568672564.db2.gz CTZMUDIXYJUCNI-CZYKHXBRSA-N 1 1 425.529 2.914 40 0 IFABMO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257216318 568672569 /nfs/dbraw/zinc/67/25/69/568672569.db2.gz CTZMUDIXYJUCNI-CZYKHXBRSA-N 1 1 425.529 2.914 40 0 IFABMO Cc1nc2cc([C@H]3CC[N@@H+](Cc4cccnc4)C3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257254713 568690632 /nfs/dbraw/zinc/69/06/32/568690632.db2.gz KEIRAGLHFWYQIJ-NRFANRHFSA-N 1 1 448.571 2.522 40 0 IFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2cccc(CNC(=O)C(C)C)c2)cc1 ZINC000257261852 568694051 /nfs/dbraw/zinc/69/40/51/568694051.db2.gz LJAAFOSLRIJNFF-DNQXCXABSA-N 1 1 437.584 2.972 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1ccon1 ZINC000257274860 568700093 /nfs/dbraw/zinc/70/00/93/568700093.db2.gz NMXLHMJGWFSQHF-LUKWVAJMSA-N 1 1 437.471 2.551 40 0 IFABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1ccon1 ZINC000257274860 568700096 /nfs/dbraw/zinc/70/00/96/568700096.db2.gz NMXLHMJGWFSQHF-LUKWVAJMSA-N 1 1 437.471 2.551 40 0 IFABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3ccccc3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257281709 568702686 /nfs/dbraw/zinc/70/26/86/568702686.db2.gz OQPFNJFTXIGJPE-REWPJTCUSA-N 1 1 439.531 2.900 40 0 IFABMO O=C(CN1C[C@H](O)[C@@H]([NH+]2CCC(F)(F)CC2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257288648 568706273 /nfs/dbraw/zinc/70/62/73/568706273.db2.gz PVBNTJUWMTVLLO-VXKWHMMOSA-N 1 1 445.510 2.980 40 0 IFABMO COc1ccc(CN2CCO[C@@]3(C[N@@H+](Cc4ccncc4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306124210 568763068 /nfs/dbraw/zinc/76/30/68/568763068.db2.gz BJKXEURDONELMM-AZGAKELHSA-N 1 1 444.535 2.882 40 0 IFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccc(OC)cc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124956 568763552 /nfs/dbraw/zinc/76/35/52/568763552.db2.gz CDFQHECLKIXGQL-URXFXBBRSA-N 1 1 426.561 2.937 40 0 IFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccc(OC)cc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306124957 568763621 /nfs/dbraw/zinc/76/36/21/568763621.db2.gz CDFQHECLKIXGQL-XUZZJYLKSA-N 1 1 426.561 2.937 40 0 IFABMO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)C[C@H](C(=O)NCc2ccc(C)cc2)O3)s1 ZINC000306126506 568764251 /nfs/dbraw/zinc/76/42/51/568764251.db2.gz DXZPURSMFUJNNV-HXUWFJFHSA-N 1 1 441.597 2.987 40 0 IFABMO Cc1cc(C)cc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306127782 568764885 /nfs/dbraw/zinc/76/48/85/568764885.db2.gz GHLMCGKUXZZKNQ-RUZDIDTESA-N 1 1 438.572 2.777 40 0 IFABMO Cc1nc(CN2CCC[C@]3(C[N@H+](Cc4ccncc4)C[C@H]3c3ccnn3C)C2=O)cs1 ZINC000306128911 568765509 /nfs/dbraw/zinc/76/55/09/568765509.db2.gz HOCRLAYYHMJINE-NZQKXSOJSA-N 1 1 436.585 2.988 40 0 IFABMO COc1ccc(NC(=O)c2nnc3n2C[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1 ZINC000306133104 568767660 /nfs/dbraw/zinc/76/76/60/568767660.db2.gz MBYOJTOIWNKMCZ-SJORKVTESA-N 1 1 447.495 2.572 40 0 IFABMO CC(C)N1C[C@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O ZINC000306135463 568768974 /nfs/dbraw/zinc/76/89/74/568768974.db2.gz ORPFQIBTGZJTPF-JOCHJYFZSA-N 1 1 430.526 2.852 40 0 IFABMO CC(C)N1C[C@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O ZINC000306135463 568768976 /nfs/dbraw/zinc/76/89/76/568768976.db2.gz ORPFQIBTGZJTPF-JOCHJYFZSA-N 1 1 430.526 2.852 40 0 IFABMO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@H+](C)C[C@@H](C(=O)N(C)Cc1ccccc1)O2 ZINC000306136312 568769411 /nfs/dbraw/zinc/76/94/11/568769411.db2.gz PPSWAYOZKWZAQR-DEOSSOPVSA-N 1 1 449.595 2.888 40 0 IFABMO COc1ccc(CN2CCO[C@@]3(C[N@@H+](Cc4ccccn4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306138710 568770626 /nfs/dbraw/zinc/77/06/26/568770626.db2.gz SEWGFURLIKUMSB-AZGAKELHSA-N 1 1 444.535 2.882 40 0 IFABMO COCCN1CC[C@]2(C[N@@H+](Cc3cccc(OC)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306139813 568771524 /nfs/dbraw/zinc/77/15/24/568771524.db2.gz UBKDJCLRXSRJOU-XUZZJYLKSA-N 1 1 426.561 2.937 40 0 IFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3cccc(OC)c3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306139812 568771560 /nfs/dbraw/zinc/77/15/60/568771560.db2.gz UBKDJCLRXSRJOU-URXFXBBRSA-N 1 1 426.561 2.937 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@@H]1C[N@@H+](CC2CC2)C[C@]2(CCN(Cc3ccccc3)C2)O1 ZINC000306141641 568772499 /nfs/dbraw/zinc/77/24/99/568772499.db2.gz WCSXLRUODRQFBH-AZGAKELHSA-N 1 1 434.584 2.796 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@]2(CC[N@H+](Cc3ccccc3)C2)O1 ZINC000306141641 568772501 /nfs/dbraw/zinc/77/25/01/568772501.db2.gz WCSXLRUODRQFBH-AZGAKELHSA-N 1 1 434.584 2.796 40 0 IFABMO CN(Cc1ccccn1)C(=O)[C@@H]1CN(CC2CC2)C[C@]2(CC[N@@H+](Cc3ccccc3)C2)O1 ZINC000306141641 568772503 /nfs/dbraw/zinc/77/25/03/568772503.db2.gz WCSXLRUODRQFBH-AZGAKELHSA-N 1 1 434.584 2.796 40 0 IFABMO O=C(CC1CC1)N1CCC2(Cc3nc4c(c(=O)n3C2)C[N@@H+](Cc2ccccc2)CC4)CC1 ZINC000306142863 568773007 /nfs/dbraw/zinc/77/30/07/568773007.db2.gz XMRWYQGEEFMUTC-UHFFFAOYSA-N 1 1 432.568 2.767 40 0 IFABMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C[C@]12CCN(Cc1ccccc1)C2 ZINC000306143858 568773450 /nfs/dbraw/zinc/77/34/50/568773450.db2.gz YORAQIPWHFLKBE-RPWUZVMVSA-N 1 1 427.614 2.745 40 0 IFABMO CS(=O)(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306143858 568773451 /nfs/dbraw/zinc/77/34/51/568773451.db2.gz YORAQIPWHFLKBE-RPWUZVMVSA-N 1 1 427.614 2.745 40 0 IFABMO CS(=O)(=O)N[C@@H]1CCN(CCc2ccccc2)C[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000306143858 568773452 /nfs/dbraw/zinc/77/34/52/568773452.db2.gz YORAQIPWHFLKBE-RPWUZVMVSA-N 1 1 427.614 2.745 40 0 IFABMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000524730451 569188480 /nfs/dbraw/zinc/18/84/80/569188480.db2.gz JMSFYYLVOKFYCM-MYGLTJDJSA-N 1 1 432.613 2.609 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@H]3CCOC3)[nH]c(=O)c2C1 ZINC000253599146 569209015 /nfs/dbraw/zinc/20/90/15/569209015.db2.gz LLHPURFMCDPYMB-YJBOKZPZSA-N 1 1 428.558 2.810 40 0 IFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)[C@H]3CCOC3)[nH]c(=O)c2C1 ZINC000253599143 569209112 /nfs/dbraw/zinc/20/91/12/569209112.db2.gz LLHPURFMCDPYMB-MAUKXSAKSA-N 1 1 428.558 2.810 40 0 IFABMO COc1ccc(-c2nccnc2[C@@H]2CN(C(=O)c3noc(C)c3C[NH+](C)C)CCO2)cc1 ZINC000019693332 569228701 /nfs/dbraw/zinc/22/87/01/569228701.db2.gz TYPCMQUQGXUVIV-IBGZPJMESA-N 1 1 437.500 2.724 40 0 IFABMO COc1ccc(CN2CCC[C@H](N3C(=O)NC4(CC[NH+](CC(C)C)CC4)C3=O)C2)cc1 ZINC000019699761 569230742 /nfs/dbraw/zinc/23/07/42/569230742.db2.gz UDEBDODHKIRRGI-FQEVSTJZSA-N 1 1 428.577 2.906 40 0 IFABMO CC(=O)N1CCC(c2cc(C[NH+](C)C)n(CCNC(=O)c3ccc4ncccc4c3)n2)CC1 ZINC000019709134 569234762 /nfs/dbraw/zinc/23/47/62/569234762.db2.gz IMVXCSQQBZPXQE-UHFFFAOYSA-N 1 1 448.571 2.649 40 0 IFABMO Cc1nc2cc(N3CC[NH+](C)CC3)c(NC(=O)C3CC3)cc2c(=O)n1Cc1ccccc1 ZINC000013511505 132349066 /nfs/dbraw/zinc/34/90/66/132349066.db2.gz RLPSMAWIAYHGFL-UHFFFAOYSA-N 1 1 431.540 2.854 40 0 IFABMO CCn1c(SC)nnc1C1CC[NH+](CC(=O)Nc2ccccc2N2CCOCC2)CC1 ZINC000013565116 132350231 /nfs/dbraw/zinc/35/02/31/132350231.db2.gz QYRONAMQZWDBMZ-UHFFFAOYSA-N 1 1 444.605 2.675 40 0 IFABMO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)cc1 ZINC000022508952 521023432 /nfs/dbraw/zinc/02/34/32/521023432.db2.gz RBKGHWVNGGGBFH-UHFFFAOYSA-N 1 1 442.541 2.662 40 0 IFABMO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1 ZINC000012157735 521176332 /nfs/dbraw/zinc/17/63/32/521176332.db2.gz HCTHWKUFQDUHEZ-GHTZIAJQSA-N 1 1 429.590 2.854 40 0 IFABMO CC[NH+]1CCN(C(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022231851 521663718 /nfs/dbraw/zinc/66/37/18/521663718.db2.gz JKVDCARIJZBAAO-UHFFFAOYSA-N 1 1 445.585 2.504 40 0 IFABMO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000035290691 521692747 /nfs/dbraw/zinc/69/27/47/521692747.db2.gz SUUHOQILMRJCAV-LJQANCHMSA-N 1 1 432.569 2.571 40 0 IFABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)NC5CCCCC5)c43)C2)CC1 ZINC000020503714 523770909 /nfs/dbraw/zinc/77/09/09/523770909.db2.gz FOSKSDXPNGVUIW-ZWKOTPCHSA-N 1 1 427.593 2.816 40 0 biogenic,in-vitro IFABMO C[NH+]1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)NC4CCCCC4)c23)CC1 ZINC000020503714 523770919 /nfs/dbraw/zinc/77/09/19/523770919.db2.gz FOSKSDXPNGVUIW-ZWKOTPCHSA-N 1 1 427.593 2.816 40 0 biogenic,in-vitro IFABMO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](C)CC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448691 525519236 /nfs/dbraw/zinc/51/92/36/525519236.db2.gz DKWZRMPQJVJBEV-OAHLLOKOSA-N 1 1 433.961 2.868 40 0 IFABMO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@@H+](C)CCc2ccccn2)cc1 ZINC000020503825 525578280 /nfs/dbraw/zinc/57/82/80/525578280.db2.gz SAKOXCJNZNGGGA-QNWVGRARSA-N 1 1 442.629 2.553 40 0 biogenic,in-vitro IFABMO O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000012602418 527229172 /nfs/dbraw/zinc/22/91/72/527229172.db2.gz XEZQMBDLIYZSMU-SESVDKBCSA-N 1 1 431.627 2.795 40 0 biogenic,in-vitro IFABMO CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000408710120 556116859 /nfs/dbraw/zinc/11/68/59/556116859.db2.gz PCIWXWUEPQSGIO-HXUWFJFHSA-N 1 1 436.556 2.718 40 0 IFABMO O=C(c1ccc(CS(=O)(=O)N2CCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000030754635 556504230 /nfs/dbraw/zinc/50/42/30/556504230.db2.gz WPNWAIGUIWMRCY-UHFFFAOYSA-N 1 1 427.570 2.570 40 0 IFABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2N(C)C3=O)cn1 ZINC000514289374 556625855 /nfs/dbraw/zinc/62/58/55/556625855.db2.gz JFRJUZIGFWPERR-XXBNENTESA-N 1 1 432.480 2.533 40 0 biogenic,in-vitro IFABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]2N(C)C3=O)cn1 ZINC000514289374 556625858 /nfs/dbraw/zinc/62/58/58/556625858.db2.gz JFRJUZIGFWPERR-XXBNENTESA-N 1 1 432.480 2.533 40 0 biogenic,in-vitro IFABMO CCc1nn2c(nnc3c2ccn(CCC[NH+]2CCOCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040391833 556638090 /nfs/dbraw/zinc/63/80/90/556638090.db2.gz NLXSWEQCJKJHOF-UHFFFAOYSA-N 1 1 436.491 2.530 40 0 IFABMO Cc1nc2nc3ccn(CCC[NH+]4CCOCC4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 ZINC000040398351 556640120 /nfs/dbraw/zinc/64/01/20/556640120.db2.gz LURKUWMKPGQVHP-UHFFFAOYSA-N 1 1 438.919 2.790 40 0 IFABMO O=C(CC1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014733 556691910 /nfs/dbraw/zinc/69/19/10/556691910.db2.gz WWQSSMRHLADREB-OAQYLSRUSA-N 1 1 428.577 2.941 40 0 IFABMO O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCC[N@H+]3C3CCOCC3)[nH]c(=O)c2C1 ZINC000019014776 556692153 /nfs/dbraw/zinc/69/21/53/556692153.db2.gz ZEDIOPUVMKGKSO-OAQYLSRUSA-N 1 1 428.577 2.941 40 0 IFABMO COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCC[N@@H+](Cc3cnc(N(C)C)nc3)C1)O2 ZINC000019019622 556693082 /nfs/dbraw/zinc/69/30/82/556693082.db2.gz ZYTHJMACCLXDJV-CVDCTZTESA-N 1 1 439.560 2.573 40 0 IFABMO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)N4CCOCC4)C3)cc2N1 ZINC000019083384 556697872 /nfs/dbraw/zinc/69/78/72/556697872.db2.gz IWUIBFAVCNQEDC-BHYGNILZSA-N 1 1 443.514 2.865 40 0 IFABMO CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)N4CCOCC4)C3)cc2N1 ZINC000019083384 556697873 /nfs/dbraw/zinc/69/78/73/556697873.db2.gz IWUIBFAVCNQEDC-BHYGNILZSA-N 1 1 443.514 2.865 40 0 IFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2C2CCN(C(=O)c3ccncc3)CC2)on1 ZINC000019123121 556701941 /nfs/dbraw/zinc/70/19/41/556701941.db2.gz WPHZTDNLIHGOBY-UHFFFAOYSA-N 1 1 447.543 2.607 40 0 IFABMO CCc1[nH+]ccn1CCC(=O)N(C)[C@@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@H]1O ZINC000257281562 556714797 /nfs/dbraw/zinc/71/47/97/556714797.db2.gz OPVMMZOGOJOZBD-TZBSWOFLSA-N 1 1 440.588 2.672 40 0 IFABMO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000257299392 556717097 /nfs/dbraw/zinc/71/70/97/556717097.db2.gz RPWVTYKPZYPWQQ-VWLOTQADSA-N 1 1 438.572 2.546 40 0 IFABMO Cc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccnc2)CC3)c1 ZINC000019234720 556719115 /nfs/dbraw/zinc/71/91/15/556719115.db2.gz HHXZYLBCOHDBIM-QHCPKHFHSA-N 1 1 443.551 2.938 40 0 IFABMO Cc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccnc2)CC3)c1 ZINC000019234720 556719117 /nfs/dbraw/zinc/71/91/17/556719117.db2.gz HHXZYLBCOHDBIM-QHCPKHFHSA-N 1 1 443.551 2.938 40 0 IFABMO O=C(Cc1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019339357 556739514 /nfs/dbraw/zinc/73/95/14/556739514.db2.gz AOYVXFBJGOVNSV-FQEVSTJZSA-N 1 1 435.553 2.691 40 0 IFABMO O=C(Cc1cccs1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339357 556739515 /nfs/dbraw/zinc/73/95/15/556739515.db2.gz AOYVXFBJGOVNSV-FQEVSTJZSA-N 1 1 435.553 2.691 40 0 IFABMO O=C(c1cccs1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)[nH]c(=O)c2C1 ZINC000019342784 556740639 /nfs/dbraw/zinc/74/06/39/556740639.db2.gz BEDCHVQRIPABLT-KRWDZBQOSA-N 1 1 435.553 2.805 40 0 IFABMO O=C(Cc1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349294 556744186 /nfs/dbraw/zinc/74/41/86/556744186.db2.gz UVRHVPOOGKQLCB-QFIPXVFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(Cc1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349294 556744188 /nfs/dbraw/zinc/74/41/88/556744188.db2.gz UVRHVPOOGKQLCB-QFIPXVFZSA-N 1 1 447.514 2.769 40 0 IFABMO O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349311 556744467 /nfs/dbraw/zinc/74/44/67/556744467.db2.gz YCPHUXWVOUQXCE-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349311 556744469 /nfs/dbraw/zinc/74/44/69/556744469.db2.gz YCPHUXWVOUQXCE-NRFANRHFSA-N 1 1 433.487 2.840 40 0 IFABMO O=C(Cc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1cccnc1)CC2 ZINC000019370196 556747526 /nfs/dbraw/zinc/74/75/26/556747526.db2.gz DFCWYWWJLXAVTD-JOCHJYFZSA-N 1 1 429.524 2.629 40 0 IFABMO O=C(Cc1ccccc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccnc1)CC2 ZINC000019370196 556747529 /nfs/dbraw/zinc/74/75/29/556747529.db2.gz DFCWYWWJLXAVTD-JOCHJYFZSA-N 1 1 429.524 2.629 40 0 IFABMO O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccnc2)C3)C1 ZINC000019370654 556748127 /nfs/dbraw/zinc/74/81/27/556748127.db2.gz BPKYFPRIAMRGNY-OAQYLSRUSA-N 1 1 443.551 2.672 40 0 IFABMO O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccnc2)C3)C1 ZINC000019370654 556748131 /nfs/dbraw/zinc/74/81/31/556748131.db2.gz BPKYFPRIAMRGNY-OAQYLSRUSA-N 1 1 443.551 2.672 40 0 IFABMO O=C(c1ccncc1)N1CCC(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000019372304 556748706 /nfs/dbraw/zinc/74/87/06/556748706.db2.gz FUGWDMPIHQREAN-UHFFFAOYSA-N 1 1 429.524 2.743 40 0 IFABMO O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019403716 556754137 /nfs/dbraw/zinc/75/41/37/556754137.db2.gz VTCJBEUCUJFONY-OAQYLSRUSA-N 1 1 436.560 2.866 40 0 IFABMO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)cc1 ZINC000019453260 556764018 /nfs/dbraw/zinc/76/40/18/556764018.db2.gz CIHYLNRTAJBKAB-NRFANRHFSA-N 1 1 444.601 2.938 40 0 IFABMO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)cc1 ZINC000019453260 556764022 /nfs/dbraw/zinc/76/40/22/556764022.db2.gz CIHYLNRTAJBKAB-NRFANRHFSA-N 1 1 444.601 2.938 40 0 IFABMO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](C)CC3)C1 ZINC000019499387 556771517 /nfs/dbraw/zinc/77/15/17/556771517.db2.gz KEVVMLYFPQQZKR-IERDGZPVSA-N 1 1 440.544 2.742 40 0 IFABMO CCc1[nH+]ccn1CC1(O)CCN(C(=O)c2cc3cc(OC)c(OC)cc3n2C)CC1 ZINC000019523615 556781125 /nfs/dbraw/zinc/78/11/25/556781125.db2.gz QTVOWJACIBESEZ-UHFFFAOYSA-N 1 1 426.517 2.622 40 0 IFABMO Cc1nonc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019558783 556800773 /nfs/dbraw/zinc/80/07/73/556800773.db2.gz PIWWKTGLJZCROF-SFHVURJKSA-N 1 1 426.521 2.932 40 0 IFABMO COc1ccc(C[N@@H+]2C[C@@H](c3c(F)cccc3F)[C@]3(C2)COCCC(=O)N3)cc1OC ZINC000019561213 556802546 /nfs/dbraw/zinc/80/25/46/556802546.db2.gz STZSGGAFLPZTHG-HJPURHCSSA-N 1 1 432.467 2.857 40 0 IFABMO COc1ccc(C[N@H+]2C[C@@H](c3c(F)cccc3F)[C@]3(C2)COCCC(=O)N3)cc1OC ZINC000019561213 556802548 /nfs/dbraw/zinc/80/25/48/556802548.db2.gz STZSGGAFLPZTHG-HJPURHCSSA-N 1 1 432.467 2.857 40 0 IFABMO COc1ccc2c(c1)C[C@@H](C1CCOCC1)[N@H+](Cc1ccc(OCC(N)=O)c(OC)c1)C2 ZINC000019562513 556803785 /nfs/dbraw/zinc/80/37/85/556803785.db2.gz MOLWHAHTCOFSEZ-QFIPXVFZSA-N 1 1 440.540 2.921 40 0 IFABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)c4ccccn4)C3)[nH]c(=O)c2C1 ZINC000019570603 556810697 /nfs/dbraw/zinc/81/06/97/556810697.db2.gz UFGZFMLEYUQMRY-GOSISDBHSA-N 1 1 445.523 2.774 40 0 IFABMO C[N@H+]1CCc2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3c(=O)n2CC1 ZINC000019590770 556825226 /nfs/dbraw/zinc/82/52/26/556825226.db2.gz MLJWVUBINZQSQM-UHFFFAOYSA-N 1 1 430.430 2.833 40 0 IFABMO C[N@@H+]1CCc2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3c(=O)n2CC1 ZINC000019590770 556825231 /nfs/dbraw/zinc/82/52/31/556825231.db2.gz MLJWVUBINZQSQM-UHFFFAOYSA-N 1 1 430.430 2.833 40 0 IFABMO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708833 556870400 /nfs/dbraw/zinc/87/04/00/556870400.db2.gz ZEEKQCPVVCBCPT-KRWDZBQOSA-N 1 1 429.590 2.691 40 0 IFABMO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708833 556870403 /nfs/dbraw/zinc/87/04/03/556870403.db2.gz ZEEKQCPVVCBCPT-KRWDZBQOSA-N 1 1 429.590 2.691 40 0 IFABMO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708831 556870412 /nfs/dbraw/zinc/87/04/12/556870412.db2.gz ARSBRTYFIGMSAJ-HNNXBMFYSA-N 1 1 433.553 2.522 40 0 IFABMO CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708831 556870415 /nfs/dbraw/zinc/87/04/15/556870415.db2.gz ARSBRTYFIGMSAJ-HNNXBMFYSA-N 1 1 433.553 2.522 40 0 IFABMO CNc1nc([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc2c1CC[N@H+](C)C2 ZINC000019708808 556870439 /nfs/dbraw/zinc/87/04/39/556870439.db2.gz WAEGJSQHYXLXFA-LJQANCHMSA-N 1 1 449.599 2.961 40 0 IFABMO CNc1nc([C@@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019708808 556870442 /nfs/dbraw/zinc/87/04/42/556870442.db2.gz WAEGJSQHYXLXFA-LJQANCHMSA-N 1 1 449.599 2.961 40 0 IFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)CCCc1ccccc1)CC2 ZINC000019710313 556872424 /nfs/dbraw/zinc/87/24/24/556872424.db2.gz XDGQCUVCOUGBBT-LJQANCHMSA-N 1 1 443.617 2.648 40 0 IFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(S(=O)(=O)c1ccccc1Cl)CC2 ZINC000019710315 556872509 /nfs/dbraw/zinc/87/25/09/556872509.db2.gz PLQOEQOIIMXPMJ-CQSZACIVSA-N 1 1 435.981 2.728 40 0 IFABMO Cc1nc(C2CC[NH+](CC(=O)N(C)C)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019739515 556878319 /nfs/dbraw/zinc/87/83/19/556878319.db2.gz USRVLVTTWAVIBH-UHFFFAOYSA-N 1 1 435.572 2.575 40 0 IFABMO Cc1nc([C@H]2CCC[N@@H+](CCC(N)=O)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741273 556883068 /nfs/dbraw/zinc/88/30/68/556883068.db2.gz SBGXXSGPXRGZCG-FQEVSTJZSA-N 1 1 435.572 2.752 40 0 IFABMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741253 556883151 /nfs/dbraw/zinc/88/31/51/556883151.db2.gz ZIFVEUQOTSIYQN-NRFANRHFSA-N 1 1 449.599 2.965 40 0 IFABMO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741253 556883152 /nfs/dbraw/zinc/88/31/52/556883152.db2.gz ZIFVEUQOTSIYQN-NRFANRHFSA-N 1 1 449.599 2.965 40 0 IFABMO Cn1c(=O)c2ccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)nc2n(Cc2ccccc2)c1=O ZINC000019743045 556887251 /nfs/dbraw/zinc/88/72/51/556887251.db2.gz KKWJXEKVPQYNMS-OAQYLSRUSA-N 1 1 441.535 2.918 40 0 IFABMO COc1ccc2c(c1)C(=O)N[C@]1(C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]1C(=O)N(C)C)CC2 ZINC000072334390 556906936 /nfs/dbraw/zinc/90/69/36/556906936.db2.gz GMTUYUANCRXYGZ-QPPBQGQZSA-N 1 1 441.959 2.984 40 0 IFABMO COC(=O)[C@]1(CC(=O)N2CCC(C)CC2)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340229 556912339 /nfs/dbraw/zinc/91/23/39/556912339.db2.gz VMBYJNSRPKZUTG-NMMYMHLASA-N 1 1 430.520 2.940 40 0 IFABMO COC(=O)[C@]1(CC(=O)N2CCC(C)CC2)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340229 556912342 /nfs/dbraw/zinc/91/23/42/556912342.db2.gz VMBYJNSRPKZUTG-NMMYMHLASA-N 1 1 430.520 2.940 40 0 IFABMO O=C(C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1)N1CCCC1 ZINC000072356001 556930407 /nfs/dbraw/zinc/93/04/07/556930407.db2.gz CYFWVHBDRDCXNW-QGZVFWFLSA-N 1 1 427.570 2.785 40 0 IFABMO O=C(C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1)N1CCCC1 ZINC000072356001 556930410 /nfs/dbraw/zinc/93/04/10/556930410.db2.gz CYFWVHBDRDCXNW-QGZVFWFLSA-N 1 1 427.570 2.785 40 0 IFABMO Cn1c(=O)c2ccc([C@@H]3CCC[N@@H+]3Cc3ccncc3)nc2n(Cc2ccccc2)c1=O ZINC000072373397 556946640 /nfs/dbraw/zinc/94/66/40/556946640.db2.gz BYGFPRFBBOUJNX-QFIPXVFZSA-N 1 1 427.508 2.876 40 0 IFABMO Cn1c(=O)c2ccc([C@@H]3CCC[N@H+]3Cc3ccncc3)nc2n(Cc2ccccc2)c1=O ZINC000072373397 556946643 /nfs/dbraw/zinc/94/66/43/556946643.db2.gz BYGFPRFBBOUJNX-QFIPXVFZSA-N 1 1 427.508 2.876 40 0 IFABMO CCN(c1ccc(OCC(=O)N2CC[NH+](CC)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938050 556952027 /nfs/dbraw/zinc/95/20/27/556952027.db2.gz ATSXUYOUPWDADZ-UHFFFAOYSA-N 1 1 445.585 2.753 40 0 IFABMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)ccc1OCC(N)=O ZINC000072375745 556952525 /nfs/dbraw/zinc/95/25/25/556952525.db2.gz AITRRPKHOZLHJR-GOSISDBHSA-N 1 1 434.500 2.825 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000020044640 556972625 /nfs/dbraw/zinc/97/26/25/556972625.db2.gz MDKFHWUPFVMMCG-UHFFFAOYSA-N 1 1 432.933 2.917 40 0 IFABMO O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409168829 556983253 /nfs/dbraw/zinc/98/32/53/556983253.db2.gz UKQHNOBXFDRYCY-UHFFFAOYSA-N 1 1 442.368 2.616 40 0 IFABMO Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](C[N@H+](C)[C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000585104181 557036702 /nfs/dbraw/zinc/03/67/02/557036702.db2.gz MIKLMFKJMZNMBH-ACRUOGEOSA-N 1 1 436.618 2.790 40 0 IFABMO C[NH+](C)CC(=O)N1CC2(CCN(C(=O)Cc3ccccn3)CC2)c2cc(Cl)ccc21 ZINC000585104863 557037766 /nfs/dbraw/zinc/03/77/66/557037766.db2.gz UVFPCMOPVKKTJS-UHFFFAOYSA-N 1 1 426.948 2.746 40 0 IFABMO C[N@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(S(=O)(=O)Cc1ccccc1)CC2 ZINC000585104918 557037980 /nfs/dbraw/zinc/03/79/80/557037980.db2.gz XFWYNMIKMWUFLC-JOCHJYFZSA-N 1 1 429.586 2.915 40 0 IFABMO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccnc(F)c1)CCC2 ZINC000585108091 557043411 /nfs/dbraw/zinc/04/34/11/557043411.db2.gz WLIMDMRANNUVGN-DVECYGJZSA-N 1 1 440.519 2.842 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000409388683 557100158 /nfs/dbraw/zinc/10/01/58/557100158.db2.gz NEAZFNBGOYIAQL-UHFFFAOYSA-N 1 1 429.586 2.658 40 0 IFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000216396327 557145397 /nfs/dbraw/zinc/14/53/97/557145397.db2.gz QHBIFTXYVUVKEE-UHFFFAOYSA-N 1 1 426.542 2.880 40 0 IFABMO CS(=O)(=O)N1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000096036924 557164134 /nfs/dbraw/zinc/16/41/34/557164134.db2.gz OFCABVXXZQSYLR-UHFFFAOYSA-N 1 1 437.569 2.712 40 0 IFABMO Cc1ccccc1NC(=O)N1CCC[C@]2(C(=O)N(C)C)C[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251315 557188167 /nfs/dbraw/zinc/18/81/67/557188167.db2.gz RUTQISKDKFRPAB-YKSBVNFPSA-N 1 1 438.576 2.563 40 0 IFABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccon1 ZINC000585262427 557201942 /nfs/dbraw/zinc/20/19/42/557201942.db2.gz BESDTPJLXBKNRW-CZYKHXBRSA-N 1 1 425.460 2.625 40 0 IFABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCC[C@@H]4[C@H]3CCCCN4S(C)(=O)=O)CC2)c1 ZINC000585284428 557224135 /nfs/dbraw/zinc/22/41/35/557224135.db2.gz RZRZQSAYMXYUNS-FGZHOGPDSA-N 1 1 435.634 2.605 40 0 IFABMO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](CC2(O)CCN(c3cccc(F)c3)CC2)C1 ZINC000585287311 557224153 /nfs/dbraw/zinc/22/41/53/557224153.db2.gz MKHVNIOJHHZRLM-VWLOTQADSA-N 1 1 444.547 2.608 40 0 IFABMO Cc1cccc(OC[C@]2(O)COCC[N@H+](CC3(O)CCN(c4cccc(C)c4)CC3)C2)c1 ZINC000585286056 557225223 /nfs/dbraw/zinc/22/52/23/557225223.db2.gz HDYIIFLKKJDPJT-AREMUKBSSA-N 1 1 440.584 2.777 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585286759 557225501 /nfs/dbraw/zinc/22/55/01/557225501.db2.gz IKVPBUCZTAXSRI-QHCPKHFHSA-N 1 1 440.531 2.834 40 0 IFABMO COCC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585286758 557225596 /nfs/dbraw/zinc/22/55/96/557225596.db2.gz IKVPBUCZTAXSRI-HSZRJFAPSA-N 1 1 440.531 2.834 40 0 IFABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)[C@@H]3CCCO3)c3ccccn3)C2)cc1CO ZINC000057774448 557264466 /nfs/dbraw/zinc/26/44/66/557264466.db2.gz IJQKWVHSIMOULQ-IGKWTDBASA-N 1 1 439.556 2.831 40 0 IFABMO Fc1ccccc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022929036 557277228 /nfs/dbraw/zinc/27/72/28/557277228.db2.gz GYHPIIOOROCYOB-NZQKXSOJSA-N 1 1 436.535 2.898 40 0 IFABMO CC[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220618136 557303079 /nfs/dbraw/zinc/30/30/79/557303079.db2.gz FVLXOKVUGUKRPT-JOCHJYFZSA-N 1 1 445.585 2.584 40 0 IFABMO CC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220618068 557303162 /nfs/dbraw/zinc/30/31/62/557303162.db2.gz FVLXOKVUGUKRPT-QFIPXVFZSA-N 1 1 445.585 2.584 40 0 IFABMO O=C(COc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)cc1)N1CCOCC1 ZINC000023247766 557313701 /nfs/dbraw/zinc/31/37/01/557313701.db2.gz SXYKNUZXTHAKJF-DQEYMECFSA-N 1 1 449.595 2.816 40 0 IFABMO O=C(Nc1nnc(S(=O)(=O)NCCC[NH+]2CCCCC2)s1)c1ccc(Cl)cc1 ZINC000223127124 557435453 /nfs/dbraw/zinc/43/54/53/557435453.db2.gz UNADJLFXWBIHFK-UHFFFAOYSA-N 1 1 443.982 2.598 40 0 IFABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000026108773 557438295 /nfs/dbraw/zinc/43/82/95/557438295.db2.gz OBALPAUOWHZKGW-UHFFFAOYSA-N 1 1 448.416 2.699 40 0 IFABMO S=C(NCCC[NH+]1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000026416598 557467538 /nfs/dbraw/zinc/46/75/38/557467538.db2.gz HHXJDHWPPOVQFY-UHFFFAOYSA-N 1 1 431.631 2.529 40 0 IFABMO Fc1ccc(-c2csc(N3CCN(C(=S)NCCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000026416580 557467586 /nfs/dbraw/zinc/46/75/86/557467586.db2.gz DZUKSJQPFFPYJW-UHFFFAOYSA-N 1 1 449.621 2.668 40 0 IFABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[N@H+]4CCC[C@@H]4C3)c(=O)[nH]c2c1 ZINC000019221942 557498038 /nfs/dbraw/zinc/49/80/38/557498038.db2.gz RDVJMIQJPVMQAV-KNQAVFIVSA-N 1 1 433.560 2.808 40 0 IFABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1C ZINC000019234209 557498124 /nfs/dbraw/zinc/49/81/24/557498124.db2.gz GASZUDVPMNHVMV-QFIPXVFZSA-N 1 1 435.576 2.973 40 0 IFABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](C)CC3)cc2c1 ZINC000019522965 557501525 /nfs/dbraw/zinc/50/15/25/557501525.db2.gz PVRHJQHVYVUQPP-QFIPXVFZSA-N 1 1 435.576 2.919 40 0 IFABMO COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019593941 557506175 /nfs/dbraw/zinc/50/61/75/557506175.db2.gz XQRZJXSPBRZVBM-OAQYLSRUSA-N 1 1 426.952 2.880 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000224550854 557621433 /nfs/dbraw/zinc/62/14/33/557621433.db2.gz URKRRBNLSBIIEG-LJQANCHMSA-N 1 1 439.622 2.649 40 0 IFABMO CCN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1)S(=O)(=O)CC ZINC000224749960 557647559 /nfs/dbraw/zinc/64/75/59/557647559.db2.gz XZCNYUOUORKUNR-UHFFFAOYSA-N 1 1 445.585 2.625 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000224899233 557664535 /nfs/dbraw/zinc/66/45/35/557664535.db2.gz PZDIPHSIBHYCGJ-INIZCTEOSA-N 1 1 442.541 2.660 40 0 IFABMO CS(=O)(=O)N(CCCC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000225019450 557678661 /nfs/dbraw/zinc/67/86/61/557678661.db2.gz DONNXEMNMGWURQ-UHFFFAOYSA-N 1 1 447.576 2.937 40 0 IFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000225489209 557729126 /nfs/dbraw/zinc/72/91/26/557729126.db2.gz YXGBZYHQWMEZAB-FQEVSTJZSA-N 1 1 439.597 2.997 40 0 IFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000225508061 557731963 /nfs/dbraw/zinc/73/19/63/557731963.db2.gz WPOHHIKYQLSLPQ-FQEVSTJZSA-N 1 1 438.553 2.898 40 0 IFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000260769872 557854394 /nfs/dbraw/zinc/85/43/94/557854394.db2.gz SEJBHNULIFBKTI-JKSUJKDBSA-N 1 1 431.549 2.890 40 0 IFABMO COc1cc(C[N@@H+](C)C[C@H](O)COC2CCCCC2)ccc1OCCN1CCOCC1 ZINC000585271009 568617669 /nfs/dbraw/zinc/61/76/69/568617669.db2.gz CVODPZJTSPBKKR-NRFANRHFSA-N 1 1 436.593 2.548 40 0 IFABMO CCOc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC000585271006 568617685 /nfs/dbraw/zinc/61/76/85/568617685.db2.gz CUBAYHCORYHCBZ-QFIPXVFZSA-N 1 1 444.572 2.668 40 0 IFABMO O[C@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000585274663 568618650 /nfs/dbraw/zinc/61/86/50/568618650.db2.gz LWAAJWZGEUWJCB-DEOSSOPVSA-N 1 1 441.503 2.744 40 0 IFABMO O[C@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cccc(OCCn3ccnc3)c2)C1 ZINC000585274663 568618655 /nfs/dbraw/zinc/61/86/55/568618655.db2.gz LWAAJWZGEUWJCB-DEOSSOPVSA-N 1 1 441.503 2.744 40 0 IFABMO Cc1ccccc1OC[C@]1(O)COCC[N@@H+](CC2(O)CCN(c3ccccc3F)CC2)C1 ZINC000585287771 568619311 /nfs/dbraw/zinc/61/93/11/568619311.db2.gz QVFVLAYQZRYXBH-RUZDIDTESA-N 1 1 444.547 2.608 40 0 IFABMO Cc1ccccc1OC[C@]1(O)COCC[N@@H+](CC2(O)CCN(c3ccccc3C)CC2)C1 ZINC000585287815 568619444 /nfs/dbraw/zinc/61/94/44/568619444.db2.gz SKYBCOKZUNGFKZ-AREMUKBSSA-N 1 1 440.584 2.777 40 0 IFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCOC[C@@](O)(COc4cccc(C)c4)C3)CC2)cc1 ZINC000585288134 568619538 /nfs/dbraw/zinc/61/95/38/568619538.db2.gz XGZBJKFTNSFUDE-AREMUKBSSA-N 1 1 440.584 2.777 40 0 IFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccc(CNC(=O)C(C)C)cc2)cc1 ZINC000257202159 568666099 /nfs/dbraw/zinc/66/60/99/568666099.db2.gz AKSVWSCHJCFCPY-BJKOFHAPSA-N 1 1 437.584 2.972 40 0 IFABMO CNc1nc([C@@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1CC[N@H+](C)C2 ZINC000257228022 568677922 /nfs/dbraw/zinc/67/79/22/568677922.db2.gz FRZGEDGQVZAIAZ-LJQANCHMSA-N 1 1 449.599 2.879 40 0 IFABMO CNc1nc([C@@H]2CCN(C(=O)C3(c4cccc(C)c4)CCOCC3)C2)nc2c1CC[N@@H+](C)C2 ZINC000257228022 568677924 /nfs/dbraw/zinc/67/79/24/568677924.db2.gz FRZGEDGQVZAIAZ-LJQANCHMSA-N 1 1 449.599 2.879 40 0 IFABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3Cc2cnccn2)c1 ZINC000257231012 568679382 /nfs/dbraw/zinc/67/93/82/568679382.db2.gz GEUWWBOVUXGNOK-DBXWQHBBSA-N 1 1 437.544 2.973 40 0 IFABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2CC(=O)Nc2cnn(C)c2C)c1 ZINC000257234613 568681311 /nfs/dbraw/zinc/68/13/11/568681311.db2.gz GUIWEVRLGARPKH-HFMPRLQTSA-N 1 1 439.560 2.940 40 0 IFABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2CC(=O)Nc2cnn(C)c2C)c1 ZINC000257234613 568681313 /nfs/dbraw/zinc/68/13/13/568681313.db2.gz GUIWEVRLGARPKH-HFMPRLQTSA-N 1 1 439.560 2.940 40 0 IFABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)C1 ZINC000257256639 568691821 /nfs/dbraw/zinc/69/18/21/568691821.db2.gz KMIDRLVSJNGKCC-NRFANRHFSA-N 1 1 445.470 2.805 40 0 IFABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@@H+]2CCC[C@@]3(C)[C@H]2CCCCN3C(C)=O)c1 ZINC000257266278 568695873 /nfs/dbraw/zinc/69/58/73/568695873.db2.gz MCHARDNBAZHJQZ-GGAORHGYSA-N 1 1 430.549 2.848 40 0 IFABMO COc1ccc(NC(C)=O)c(NC(=O)C[N@H+]2CCC[C@@]3(C)[C@H]2CCCCN3C(C)=O)c1 ZINC000257266278 568695877 /nfs/dbraw/zinc/69/58/77/568695877.db2.gz MCHARDNBAZHJQZ-GGAORHGYSA-N 1 1 430.549 2.848 40 0 IFABMO CC(C)N1C[C@H](C(=O)NCc2cnn(-c3ccccc3)c2[C@@H]2CC[N@H+](C(C)C)C2)CC1=O ZINC000257276272 568700510 /nfs/dbraw/zinc/70/05/10/568700510.db2.gz NTBHFSUZDNIRTC-WOJBJXKFSA-N 1 1 437.588 2.943 40 0 IFABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@@H+]2CC(=O)Nc2cnn(C)c2C)cc1 ZINC000257299541 568711209 /nfs/dbraw/zinc/71/12/09/568711209.db2.gz RQLOORIXEXCPLD-JTAQYXEDSA-N 1 1 425.533 2.550 40 0 IFABMO COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3[N@H+]2CC(=O)Nc2cnn(C)c2C)cc1 ZINC000257299541 568711210 /nfs/dbraw/zinc/71/12/10/568711210.db2.gz RQLOORIXEXCPLD-JTAQYXEDSA-N 1 1 425.533 2.550 40 0 IFABMO COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccc(CNC(=O)C3CC3)cc2)cc1 ZINC000257337505 568727667 /nfs/dbraw/zinc/72/76/67/568727667.db2.gz YTAVMCCXYRGBOI-DNQXCXABSA-N 1 1 435.568 2.726 40 0 IFABMO O=C(CC[NH+]1CCOCC1)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 ZINC000257343568 568729915 /nfs/dbraw/zinc/72/99/15/568729915.db2.gz ZTNBNQMPIBXYDY-JOCHJYFZSA-N 1 1 429.948 2.948 40 0 IFABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4ccncc4)C[C@H]3c3cccnc3)C2=O)cc1 ZINC000306124208 568762992 /nfs/dbraw/zinc/76/29/92/568762992.db2.gz BJKXEURDONELMM-AHWVRZQESA-N 1 1 444.535 2.882 40 0 IFABMO CCNC(=O)NC[C@@H]1CC[C@]2(COCC[N@@H+](Cc3cccc(-c4ccc(F)cc4)n3)C2)O1 ZINC000306133319 568767682 /nfs/dbraw/zinc/76/76/82/568767682.db2.gz MIJADIWKIAQMDL-URXFXBBRSA-N 1 1 442.535 2.957 40 0 IFABMO CC(C)n1cc(C[N@H+]2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 ZINC000306133772 568768222 /nfs/dbraw/zinc/76/82/22/568768222.db2.gz MVQLOZSXLGNLNT-UKILVPOCSA-N 1 1 446.555 2.651 40 0 IFABMO Cc1cc(C)cc(C[N@H+]2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)c1 ZINC000306137659 568770073 /nfs/dbraw/zinc/77/00/73/568770073.db2.gz RCNNHPLIVUBNEL-VWLOTQADSA-N 1 1 434.515 2.658 40 0 IFABMO O=C(NC[C@H]1CC[C@]2(COCC[N@H+](Cc3c[nH]c4ccc(F)cc34)C2)O1)c1cccnc1 ZINC000306138343 568770423 /nfs/dbraw/zinc/77/04/23/568770423.db2.gz RVFKEFGKCGWNJA-YKSBVNFPSA-N 1 1 438.503 2.882 40 0 IFABMO Cc1cccc(C[N@H+]2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)n1 ZINC000306142570 568772661 /nfs/dbraw/zinc/77/26/61/568772661.db2.gz XDNHAUNNAALRLY-ILBGXUMGSA-N 1 1 429.524 2.577 40 0 IFABMO COc1ccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@H]3C2)cc1 ZINC000306142479 568772732 /nfs/dbraw/zinc/77/27/32/568772732.db2.gz XAIVECPQYJGDFL-ZWKOTPCHSA-N 1 1 433.512 2.852 40 0 IFABMO Cc1cc(C)cc(C[N@H+]2CCc3nc4n(c(=O)c3C2)CC[C@]42CCN(C(=O)NC(C)C)C2)c1 ZINC000306144855 568773949 /nfs/dbraw/zinc/77/39/49/568773949.db2.gz ZQHAXDNWMBJMIG-SANMLTNESA-N 1 1 449.599 2.884 40 0 IFABMO COc1ccc(C2=NN(C(=O)CC[NH+]3CCOCC3)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000019537516 568894609 /nfs/dbraw/zinc/89/46/09/568894609.db2.gz VWFMYXJHRZRHJG-JOCHJYFZSA-N 1 1 433.512 2.972 40 0 IFABMO CC[NH+]1CCN(C(=O)CN(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000006325849 569218537 /nfs/dbraw/zinc/21/85/37/569218537.db2.gz LCUPDYMINFCHSP-UHFFFAOYSA-N 1 1 429.586 2.658 40 0 IFABMO Cc1cccc(N2CC[N@H+](C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)C[C@@H]2C)c1 ZINC000019235130 569226173 /nfs/dbraw/zinc/22/61/73/569226173.db2.gz JJZWQJXLFLTGNE-YADARESESA-N 1 1 443.613 2.951 40 0 IFABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)nc2)C1)C1CC1 ZINC000019341908 569226397 /nfs/dbraw/zinc/22/63/97/569226397.db2.gz LVIWRESYCXWKIC-PZJWPPBQSA-N 1 1 441.601 2.854 40 0 IFABMO CN(C)c1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cn1 ZINC000019587763 569227231 /nfs/dbraw/zinc/22/72/31/569227231.db2.gz ULLRGPLSFQEWMZ-KNQAVFIVSA-N 1 1 440.567 2.853 40 0 IFABMO CN(C)c1ncc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cn1 ZINC000019587763 569227232 /nfs/dbraw/zinc/22/72/32/569227232.db2.gz ULLRGPLSFQEWMZ-KNQAVFIVSA-N 1 1 440.567 2.853 40 0 IFABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019692677 569228165 /nfs/dbraw/zinc/22/81/65/569228165.db2.gz KSHLBTAHDWOCNX-HXUWFJFHSA-N 1 1 438.507 2.844 40 0 IFABMO Cc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 ZINC000019692676 569228193 /nfs/dbraw/zinc/22/81/93/569228193.db2.gz KSHLBTAHDWOCNX-FQEVSTJZSA-N 1 1 438.507 2.844 40 0 IFABMO COc1ccc(-c2nccnc2[C@H]2CN(C(=O)c3noc(C)c3C[NH+](C)C)CCO2)cc1 ZINC000019693333 569228704 /nfs/dbraw/zinc/22/87/04/569228704.db2.gz TYPCMQUQGXUVIV-LJQANCHMSA-N 1 1 437.500 2.724 40 0 IFABMO Cc1cc(N2CCO[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)nc(C)[nH+]1 ZINC000019702847 569232407 /nfs/dbraw/zinc/23/24/07/569232407.db2.gz KOCKEQBKZOXGLM-KRWDZBQOSA-N 1 1 439.541 2.753 40 0 IFABMO COc1ccc(OCc2sc([C@]3(O)CCC[N@H+](CC(=O)N(C)C)CC3)nc2C)cc1 ZINC000019705205 569234002 /nfs/dbraw/zinc/23/40/02/569234002.db2.gz PDHDBBHRPHTOFM-QFIPXVFZSA-N 1 1 433.574 2.801 40 0 IFABMO COc1ccc(OCc2sc([C@]3(O)CCC[N@@H+](CC(=O)N(C)C)CC3)nc2C)cc1 ZINC000019705205 569234003 /nfs/dbraw/zinc/23/40/03/569234003.db2.gz PDHDBBHRPHTOFM-QFIPXVFZSA-N 1 1 433.574 2.801 40 0 IFABMO COc1cc2c(cc1C[N@H+]1CC[C@@H](c3cc(C(=O)Nc4nccs4)n[nH]3)C1)OCCO2 ZINC000019707703 569234387 /nfs/dbraw/zinc/23/43/87/569234387.db2.gz ANDXOMPIERORMG-CYBMUJFWSA-N 1 1 441.513 2.888 40 0 IFABMO Cc1nn2c(nccc2[C@H]2CCN(C(=O)CC3(O)CCCCC3)C2)c1Cn1cc[nH+]c1C ZINC000019707660 569234447 /nfs/dbraw/zinc/23/44/47/569234447.db2.gz JIRGCJANAJYWPL-IBGZPJMESA-N 1 1 436.560 2.992 40 0 IFABMO Cc1nn2c(nccc2[C@H]2CCN(C(=O)COc3ccccc3)C2)c1Cn1cc[nH+]c1C ZINC000019707971 569234640 /nfs/dbraw/zinc/23/46/40/569234640.db2.gz PSYWNTLKHHODQU-IBGZPJMESA-N 1 1 430.512 2.986 40 0 IFABMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(OC(C)C)c(Cn4cccn4)c3)C2)ncc1C(N)=O ZINC000019758121 569237403 /nfs/dbraw/zinc/23/74/03/569237403.db2.gz HYZFZZRQBKKKNJ-LJQANCHMSA-N 1 1 434.544 2.905 40 0 IFABMO