smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c2cc(C)ccc2c1[C@@H](O)C[N@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000012251876 818149593 /nfs/dbraw/zinc/14/95/93/818149593.db2.gz IDAUMPJXIODEOO-UPVQGACJSA-N 1 1 396.506 4.331 40 0 GIABMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000019236201 818589169 /nfs/dbraw/zinc/58/91/69/818589169.db2.gz OVKDWHDBSHTJCI-NFBKMPQASA-N 1 1 392.547 4.045 40 0 GIABMO Cc1cccc(CNc2n[nH]c3nc([C@H]4CC[N@@H+](CC(C)(C)C)C4)ccc23)n1 ZINC000019705001 818601735 /nfs/dbraw/zinc/60/17/35/818601735.db2.gz KCHJMTBLYVYIDT-INIZCTEOSA-N 1 1 378.524 4.109 40 0 GIABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CC[N@H+](CC(C)(C)C)C4)ccc32)n1 ZINC000019705001 818601740 /nfs/dbraw/zinc/60/17/40/818601740.db2.gz KCHJMTBLYVYIDT-INIZCTEOSA-N 1 1 378.524 4.109 40 0 GIABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CC[N@@H+](CC(C)(C)C)C4)ccc32)n1 ZINC000019705001 818601743 /nfs/dbraw/zinc/60/17/43/818601743.db2.gz KCHJMTBLYVYIDT-INIZCTEOSA-N 1 1 378.524 4.109 40 0 GIABMO COc1ccc(CC[N@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000019704586 818601924 /nfs/dbraw/zinc/60/19/24/818601924.db2.gz BTIWXYZNFFDVCB-SFHVURJKSA-N 1 1 395.478 4.168 40 0 GIABMO COc1ccc(CC[N@@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)cc1 ZINC000019704586 818601929 /nfs/dbraw/zinc/60/19/29/818601929.db2.gz BTIWXYZNFFDVCB-SFHVURJKSA-N 1 1 395.478 4.168 40 0 GIABMO COc1ccc(CC[N@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)cc1 ZINC000019704586 818601933 /nfs/dbraw/zinc/60/19/33/818601933.db2.gz BTIWXYZNFFDVCB-SFHVURJKSA-N 1 1 395.478 4.168 40 0 GIABMO CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cc1 ZINC000019712605 818602623 /nfs/dbraw/zinc/60/26/23/818602623.db2.gz GEXHSZNQSQRBPS-ZDXQCDESSA-N 1 1 378.516 4.112 40 0 GIABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@H+]2Cc1cccc(F)c1F ZINC000019712797 818602665 /nfs/dbraw/zinc/60/26/65/818602665.db2.gz NGULOROMGQWUJA-KPLVRAHFSA-N 1 1 388.433 4.131 40 0 GIABMO CCn1cc(C[N@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C)c2)c(C)n1 ZINC000019713465 818603390 /nfs/dbraw/zinc/60/33/90/818603390.db2.gz MDTPGMDWNWEUQG-PKTZIBPZSA-N 1 1 394.563 4.066 40 0 GIABMO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044852973 821672988 /nfs/dbraw/zinc/67/29/88/821672988.db2.gz IVVRGOLSTRSIOL-VQTJNVASSA-N 1 1 380.532 4.424 40 0 GIABMO COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](C)([NH+]2CCCC2)[C@@H]1C)OCO3 ZINC000005765755 204149803 /nfs/dbraw/zinc/14/98/03/204149803.db2.gz FAZGJJUOWJTADB-DURYTUKUSA-N 1 1 381.472 4.396 40 0 GIABMO CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000012183349 204378427 /nfs/dbraw/zinc/37/84/27/204378427.db2.gz AYHAEPGWFHROQG-QAPCUYQASA-N 1 1 393.503 4.147 40 0 GIABMO CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000012183349 204378430 /nfs/dbraw/zinc/37/84/30/204378430.db2.gz AYHAEPGWFHROQG-QAPCUYQASA-N 1 1 393.503 4.147 40 0 GIABMO CCOCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OC ZINC000012293144 204389307 /nfs/dbraw/zinc/38/93/07/204389307.db2.gz UYCNYHHGMFQZRM-VXMMSVGHSA-N 1 1 399.506 4.385 40 0 GIABMO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccc(Cl)c(F)c4)CC3)no2)cn1 ZINC000012337380 204398224 /nfs/dbraw/zinc/39/82/24/204398224.db2.gz HQMGANGBRPIKRC-UHFFFAOYSA-N 1 1 387.846 4.007 40 0 GIABMO Cc1ccc(SCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038836681 205040235 /nfs/dbraw/zinc/04/02/35/205040235.db2.gz CVSVFNUGISZTJQ-IBGZPJMESA-N 1 1 386.536 4.255 40 0 GIABMO O=C(NCCSCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038837050 205040344 /nfs/dbraw/zinc/04/03/44/205040344.db2.gz BCNWZWNUPLSFNS-HXUWFJFHSA-N 1 1 386.536 4.087 40 0 GIABMO COc1ccc2[nH]cc([C@H](O)C[N@H+]3CCC[C@H](COc4ccccc4F)C3)c2c1 ZINC000036743794 205021384 /nfs/dbraw/zinc/02/13/84/205021384.db2.gz LXLWQXIHUUKAHK-KSFYIVLOSA-N 1 1 398.478 4.140 40 0 GIABMO COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@H]2C)OCO4)c1 ZINC000039580066 205043811 /nfs/dbraw/zinc/04/38/11/205043811.db2.gz LUELUYBCCRBFBS-UQDCGMOVSA-N 1 1 381.472 4.396 40 0 GIABMO CCOc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044851415 205088425 /nfs/dbraw/zinc/08/84/25/205088425.db2.gz SHXPYMQLIOVQAV-OAQYLSRUSA-N 1 1 398.522 4.185 40 0 GIABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330380 205326804 /nfs/dbraw/zinc/32/68/04/205326804.db2.gz OWBSAKCTQZGDKT-YKSBVNFPSA-N 1 1 395.547 4.206 40 0 GIABMO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000072345899 205329884 /nfs/dbraw/zinc/32/98/84/205329884.db2.gz ZUTFRVAYTUMVFG-SFHVURJKSA-N 1 1 392.478 4.253 40 0 GIABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCCCC1 ZINC000072348694 205330332 /nfs/dbraw/zinc/33/03/32/205330332.db2.gz SUDQGMQOVQIYCZ-IBGZPJMESA-N 1 1 381.495 4.080 40 0 GIABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCCCC1 ZINC000072348693 205330410 /nfs/dbraw/zinc/33/04/10/205330410.db2.gz SUDQGMQOVQIYCZ-LJQANCHMSA-N 1 1 381.495 4.080 40 0 GIABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072353808 205333223 /nfs/dbraw/zinc/33/32/23/205333223.db2.gz YMVQLPQBKFDUGL-QFIPXVFZSA-N 1 1 379.548 4.029 40 0 GIABMO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370649 205335932 /nfs/dbraw/zinc/33/59/32/205335932.db2.gz QTLLLPDIZIHPTE-INIZCTEOSA-N 1 1 396.560 4.314 40 0 GIABMO CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ncc[nH]1 ZINC000072370649 205335936 /nfs/dbraw/zinc/33/59/36/205335936.db2.gz QTLLLPDIZIHPTE-INIZCTEOSA-N 1 1 396.560 4.314 40 0 GIABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1CC(C)(C)C ZINC000072370380 205335994 /nfs/dbraw/zinc/33/59/94/205335994.db2.gz XKLNECJHNGUJPQ-INIZCTEOSA-N 1 1 388.577 4.331 40 0 GIABMO CCn1cc(C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)c(C)n1 ZINC000072376058 205338222 /nfs/dbraw/zinc/33/82/22/205338222.db2.gz GUJCIZMTVVSPOG-LJQANCHMSA-N 1 1 390.535 4.433 40 0 GIABMO COc1ccc([C@H]2C[N@@H+](CCCc3ccccc3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000072391580 205340927 /nfs/dbraw/zinc/34/09/27/205340927.db2.gz MULUNFJXUALMND-UBFVSLLYSA-N 1 1 392.543 4.107 40 0 GIABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C2CCCC2)C1 ZINC000072395915 205342866 /nfs/dbraw/zinc/34/28/66/205342866.db2.gz WMNKQLBFWFEHDB-HSZRJFAPSA-N 1 1 381.520 4.045 40 0 GIABMO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C1 ZINC000020503186 205924272 /nfs/dbraw/zinc/92/42/72/205924272.db2.gz YORIHYXUOMOXFU-DLBZAZTESA-N 1 1 380.488 4.335 40 0 biogenic,in-vitro GIABMO O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223625271 206002658 /nfs/dbraw/zinc/00/26/58/206002658.db2.gz KOTXPPKEPULCFO-QGZVFWFLSA-N 1 1 396.491 4.195 40 0 GIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2ccccc2C(C)C)cc1 ZINC000223835374 206007194 /nfs/dbraw/zinc/00/71/94/206007194.db2.gz QVVSKHFWJVGOLR-UHFFFAOYSA-N 1 1 377.488 4.172 40 0 GIABMO CC(C)c1ccccc1OCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223826472 206007285 /nfs/dbraw/zinc/00/72/85/206007285.db2.gz PWDHBUBOOWHEJF-FQEVSTJZSA-N 1 1 398.522 4.356 40 0 GIABMO Cc1cccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000223941142 206009530 /nfs/dbraw/zinc/00/95/30/206009530.db2.gz GVUONBZJZHLAHE-GOSISDBHSA-N 1 1 380.532 4.344 40 0 GIABMO O=C(NCCSC1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000224795551 206027173 /nfs/dbraw/zinc/02/71/73/206027173.db2.gz TWYORCRDVPGBOL-KRWDZBQOSA-N 1 1 380.985 4.344 40 0 GIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSCc1ccc(Cl)cc1F ZINC000224844098 206028977 /nfs/dbraw/zinc/02/89/77/206028977.db2.gz PZMFMUYPRINMEL-QGZVFWFLSA-N 1 1 386.964 4.483 40 0 GIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)cc2)C1 ZINC000225050370 206034293 /nfs/dbraw/zinc/03/42/93/206034293.db2.gz OQJZRGGPFNLVOM-OAHLLOKOSA-N 1 1 395.528 4.084 40 0 GIABMO O=C(Cc1ccccc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225445908 206049070 /nfs/dbraw/zinc/04/90/70/206049070.db2.gz BEJMFPKBSORPCJ-UHFFFAOYSA-N 1 1 388.486 4.302 40 0 GIABMO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225618692 206060528 /nfs/dbraw/zinc/06/05/28/206060528.db2.gz QKQRDVLFHOXZBV-GCJKJVERSA-N 1 1 376.541 4.331 40 0 GIABMO COC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225640468 206062973 /nfs/dbraw/zinc/06/29/73/206062973.db2.gz YUDKEWIIYPIIJZ-KPRXVCGWSA-N 1 1 388.552 4.474 40 0 GIABMO CCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC[C@H]2[N@H+]1Cc1ccccc1 ZINC000226086469 206088991 /nfs/dbraw/zinc/08/89/91/206088991.db2.gz PCLDENUBNWZUOM-KAMZKSLDSA-N 1 1 391.511 4.346 40 0 GIABMO COc1cccc(Cc2ccc([C@@H]3CCCN(c4cc(C)[nH+]c(C)n4)C3)nc2)c1 ZINC000257281300 206171433 /nfs/dbraw/zinc/17/14/33/206171433.db2.gz OONFPZZHCBVOOK-OAQYLSRUSA-N 1 1 388.515 4.472 40 0 GIABMO COc1ccc(CC[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000257237654 206164573 /nfs/dbraw/zinc/16/45/73/206164573.db2.gz HHMMPOCQBCRLLG-VWLOTQADSA-N 1 1 388.511 4.297 40 0 GIABMO COc1ccc(CC[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000257237654 206164578 /nfs/dbraw/zinc/16/45/78/206164578.db2.gz HHMMPOCQBCRLLG-VWLOTQADSA-N 1 1 388.511 4.297 40 0 GIABMO Clc1ccc(C[N@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306140756 206204507 /nfs/dbraw/zinc/20/45/07/206204507.db2.gz VDGBNSXYVJYTLP-HSZRJFAPSA-N 1 1 390.918 4.294 40 0 GIABMO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccc(C)c4)C2)OC3)c1 ZINC000306139235 206204864 /nfs/dbraw/zinc/20/48/64/206204864.db2.gz SSYCWDZQKAAGNQ-DEOSSOPVSA-N 1 1 389.499 4.042 40 0 GIABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306140135 206205362 /nfs/dbraw/zinc/20/53/62/206205362.db2.gz ULIQQHOIJMWBPG-QFIPXVFZSA-N 1 1 381.426 4.003 40 0 GIABMO Cc1cccc(CN2CCN(C)[C@H](c3[nH+]cn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306142337 206206539 /nfs/dbraw/zinc/20/65/39/206206539.db2.gz WWGFQZSUMAGHIK-DEOSSOPVSA-N 1 1 397.526 4.193 40 0 GIABMO Cc1cccc(C[N@H+]2CCN(C)[C@H](c3ncn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306142337 206206542 /nfs/dbraw/zinc/20/65/42/206206542.db2.gz WWGFQZSUMAGHIK-DEOSSOPVSA-N 1 1 397.526 4.193 40 0 GIABMO Cc1cccc(C[N@@H+]2CCN(C)[C@H](c3ncn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306142337 206206547 /nfs/dbraw/zinc/20/65/47/206206547.db2.gz WWGFQZSUMAGHIK-DEOSSOPVSA-N 1 1 397.526 4.193 40 0 GIABMO COc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc(C)s4)C2)OC3)c1 ZINC000306141992 206206603 /nfs/dbraw/zinc/20/66/03/206206603.db2.gz WLYNZJKKXCBGKL-JOCHJYFZSA-N 1 1 395.528 4.104 40 0 GIABMO COc1ncccc1CN1CCC[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306144025 206206911 /nfs/dbraw/zinc/20/69/11/206206911.db2.gz YTSHXRXJMZZCSC-FQEVSTJZSA-N 1 1 385.471 4.137 40 0 GIABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306125560 206196284 /nfs/dbraw/zinc/19/62/84/206196284.db2.gz CTYZLRWHZBBJAY-QFIPXVFZSA-N 1 1 383.499 4.479 40 0 GIABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306125556 206196809 /nfs/dbraw/zinc/19/68/09/206196809.db2.gz CTTOWBRNCXUOFD-RBUKOAKNSA-N 1 1 377.463 4.002 40 0 GIABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)s1 ZINC000306130523 206198287 /nfs/dbraw/zinc/19/82/87/206198287.db2.gz JIUROBKFGJJUGT-SFHVURJKSA-N 1 1 375.501 4.151 40 0 GIABMO Cc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)s1 ZINC000306129571 206199360 /nfs/dbraw/zinc/19/93/60/206199360.db2.gz IHCPDSURUBLFDO-PXNSSMCTSA-N 1 1 385.510 4.072 40 0 GIABMO Cc1ccc(C[N@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@H]3C2)s1 ZINC000306129571 206199365 /nfs/dbraw/zinc/19/93/65/206199365.db2.gz IHCPDSURUBLFDO-PXNSSMCTSA-N 1 1 385.510 4.072 40 0 GIABMO CN1CC[N@H+](Cc2cccs2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306131640 206201130 /nfs/dbraw/zinc/20/11/30/206201130.db2.gz KKVBCBBWTNXXKJ-LJQANCHMSA-N 1 1 395.557 4.008 40 0 GIABMO CN1CC[N@@H+](Cc2cccs2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306131640 206201133 /nfs/dbraw/zinc/20/11/33/206201133.db2.gz KKVBCBBWTNXXKJ-LJQANCHMSA-N 1 1 395.557 4.008 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306131128 206201411 /nfs/dbraw/zinc/20/14/11/206201411.db2.gz JXJSNMFKEVFXGN-NRFANRHFSA-N 1 1 399.498 4.180 40 0 GIABMO c1csc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5nccs5)C4)nn3c2)c1 ZINC000306136319 206202786 /nfs/dbraw/zinc/20/27/86/206202786.db2.gz PPZJFNMDOLHPJJ-OAHLLOKOSA-N 1 1 381.530 4.294 40 0 GIABMO c1csc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5nccs5)C4)nn3c2)c1 ZINC000306136319 206202789 /nfs/dbraw/zinc/20/27/89/206202789.db2.gz PPZJFNMDOLHPJJ-OAHLLOKOSA-N 1 1 381.530 4.294 40 0 GIABMO CCN1Cc2c(-c3ccccc3)ncn2[C@@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000306134900 206203172 /nfs/dbraw/zinc/20/31/72/206203172.db2.gz OBBPOBKWEQMRPP-QHCPKHFHSA-N 1 1 392.572 4.438 40 0 GIABMO O=C(c1ccc(Br)cc1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613190 534691787 /nfs/dbraw/zinc/69/17/87/534691787.db2.gz XVEVBTMJNFKTRT-HXUWFJFHSA-N 1 1 399.332 4.112 40 0 GIABMO O=C(c1ccccc1Br)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408605831 534747776 /nfs/dbraw/zinc/74/77/76/534747776.db2.gz GVSLXJQFBCTSEP-SFHVURJKSA-N 1 1 399.332 4.112 40 0 GIABMO CC(C)Oc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000408628819 528147339 /nfs/dbraw/zinc/14/73/39/528147339.db2.gz BPNSCQJUZBLQMB-UHFFFAOYSA-N 1 1 387.911 4.131 40 0 GIABMO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000163790276 560044322 /nfs/dbraw/zinc/04/43/22/560044322.db2.gz GUMLCSIEVNHVBR-MZLICYQSSA-N 1 1 377.484 4.355 40 0 biogenic,in-vitro GIABMO Fc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)ccc1Cl ZINC000096215815 570219596 /nfs/dbraw/zinc/21/95/96/570219596.db2.gz CIBIABHPONNAQE-IBGZPJMESA-N 1 1 379.932 4.424 40 0 GIABMO O=C(Cc1cccc(F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019934922 570231521 /nfs/dbraw/zinc/23/15/21/570231521.db2.gz AIPOSTHDFUAEDY-UHFFFAOYSA-N 1 1 388.486 4.302 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cccc2ccccc21 ZINC000020044003 570237252 /nfs/dbraw/zinc/23/72/52/570237252.db2.gz BYNZHCDIDSVYPS-QGZVFWFLSA-N 1 1 385.467 4.418 40 0 GIABMO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 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ZWCQCUDBJQGESK-LYGPFTKASA-N 1 1 397.535 4.227 40 0 GIABMO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3C[C@@H]3CCOC3)cc2n1 ZINC000019452358 570985624 /nfs/dbraw/zinc/98/56/24/570985624.db2.gz ZZYHCDATKVHXQA-XJKSGUPXSA-N 1 1 382.430 4.045 40 0 GIABMO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3CC[C@H](C)c3ccccc3)ncc2C1 ZINC000019455672 570987327 /nfs/dbraw/zinc/98/73/27/570987327.db2.gz NWYWNAWJOVKKDC-FDDCHVKYSA-N 1 1 392.547 4.102 40 0 GIABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)no2)CC1 ZINC000019496732 570990096 /nfs/dbraw/zinc/99/00/96/570990096.db2.gz UFZNIQLAMLXARI-OAQYLSRUSA-N 1 1 395.547 4.359 40 0 GIABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)no1 ZINC000019503705 570993624 /nfs/dbraw/zinc/99/36/24/570993624.db2.gz XYGILKPYSUWMKS-IBGZPJMESA-N 1 1 377.488 4.347 40 0 GIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1[nH]nnc1-c1ccccc1 ZINC000019527204 570997740 /nfs/dbraw/zinc/99/77/40/570997740.db2.gz KTBSMJCVSIEVOU-SFHVURJKSA-N 1 1 381.549 4.020 40 0 GIABMO CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1n[nH]nc1-c1ccccc1 ZINC000019527204 570997745 /nfs/dbraw/zinc/99/77/45/570997745.db2.gz KTBSMJCVSIEVOU-SFHVURJKSA-N 1 1 381.549 4.020 40 0 GIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1n[nH]nc1-c1ccccc1 ZINC000019527204 570997750 /nfs/dbraw/zinc/99/77/50/570997750.db2.gz KTBSMJCVSIEVOU-SFHVURJKSA-N 1 1 381.549 4.020 40 0 GIABMO CCOc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)CCC2 ZINC000019532504 570999338 /nfs/dbraw/zinc/99/93/38/570999338.db2.gz PXYWXDLNPZHXGJ-HOKHCIIBSA-N 1 1 392.543 4.007 40 0 GIABMO C[C@H](C[N@H+]1CCNC(=O)[C@@H](Cc2cccc(-c3cccnc3)c2)C1)c1ccccc1 ZINC000019456201 818592448 /nfs/dbraw/zinc/59/24/48/818592448.db2.gz FKLPLGKKHSPEQE-NLFFAJNJSA-N 1 1 399.538 4.143 40 0 GIABMO Nc1n[nH]c2nc([C@H]3CCCC[N@H+]3CCc3ccccc3)cc(C(F)(F)F)c12 ZINC000019742906 818604184 /nfs/dbraw/zinc/60/41/84/818604184.db2.gz LTIOMSSKRVTAGG-MRXNPFEDSA-N 1 1 389.425 4.329 40 0 GIABMO Nc1[nH]nc2nc([C@H]3CCCC[N@@H+]3CCc3ccccc3)cc(C(F)(F)F)c12 ZINC000019742906 818604190 /nfs/dbraw/zinc/60/41/90/818604190.db2.gz LTIOMSSKRVTAGG-MRXNPFEDSA-N 1 1 389.425 4.329 40 0 GIABMO Nc1[nH]nc2nc([C@H]3CCCC[N@H+]3CCc3ccccc3)cc(C(F)(F)F)c12 ZINC000019742906 818604194 /nfs/dbraw/zinc/60/41/94/818604194.db2.gz LTIOMSSKRVTAGG-MRXNPFEDSA-N 1 1 389.425 4.329 40 0 GIABMO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(F)cc2)c1 ZINC000035290343 204152115 /nfs/dbraw/zinc/15/21/15/204152115.db2.gz CPEPFIYWOHLCLN-SEJPIABJSA-N 1 1 382.479 4.150 40 0 GIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 ZINC000005644266 204145058 /nfs/dbraw/zinc/14/50/58/204145058.db2.gz WRSATAIUXQXMET-UHFFFAOYSA-N 1 1 378.303 4.388 40 0 GIABMO CCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)c1 ZINC000006241925 204173105 /nfs/dbraw/zinc/17/31/05/204173105.db2.gz PIOSTGIAXUHAIR-UHFFFAOYSA-N 1 1 387.911 4.133 40 0 GIABMO Cc1c(C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c(-c2ccccc2)nn1C ZINC000036752917 205022183 /nfs/dbraw/zinc/02/21/83/205022183.db2.gz NKHOOLLQQADHQH-NRFANRHFSA-N 1 1 394.563 4.010 40 0 GIABMO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038834617 205039030 /nfs/dbraw/zinc/03/90/30/205039030.db2.gz DVNVCUCLXOXBLM-QGZVFWFLSA-N 1 1 380.488 4.348 40 0 GIABMO COc1cccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044906923 205089810 /nfs/dbraw/zinc/08/98/10/205089810.db2.gz YSOQTXIRCREHMF-IBGZPJMESA-N 1 1 380.532 4.290 40 0 GIABMO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933129 205090835 /nfs/dbraw/zinc/09/08/35/205090835.db2.gz RHSZMCNAFRXVCS-VQIMIIECSA-N 1 1 386.923 4.438 40 0 GIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000044918652 205090892 /nfs/dbraw/zinc/09/08/92/205090892.db2.gz JPBWMWZBRXWTKQ-FQEVSTJZSA-N 1 1 375.472 4.272 40 0 GIABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000072350252 205330473 /nfs/dbraw/zinc/33/04/73/205330473.db2.gz RZAUYLRRJJOYJW-HXUWFJFHSA-N 1 1 388.515 4.489 40 0 GIABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 ZINC000072348773 205331131 /nfs/dbraw/zinc/33/11/31/205331131.db2.gz NMMMRMMXBCZEKB-SFHVURJKSA-N 1 1 383.923 4.204 40 0 GIABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c1C ZINC000072353353 205332036 /nfs/dbraw/zinc/33/20/36/205332036.db2.gz XPGASFOYWIJKOK-LJQANCHMSA-N 1 1 390.535 4.433 40 0 GIABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccc5ccccc5n4)C3)n2)c1 ZINC000072369892 205335829 /nfs/dbraw/zinc/33/58/29/205335829.db2.gz FRNUGLUWGZHCGL-SFHVURJKSA-N 1 1 386.455 4.283 40 0 GIABMO CCn1cc(C[N@H+]2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)c(C)n1 ZINC000072374966 205337234 /nfs/dbraw/zinc/33/72/34/205337234.db2.gz YFASPTDDFOSOMR-LJQANCHMSA-N 1 1 390.535 4.433 40 0 GIABMO CC(C)[N@H+]1CCC[C@H](c2cccc(CC3(C(=O)N4CCCC4)CCOCC3)c2)C1 ZINC000072372255 205337730 /nfs/dbraw/zinc/33/77/30/205337730.db2.gz NOUITCUFNJCFLC-QHCPKHFHSA-N 1 1 398.591 4.236 40 0 GIABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)c1C ZINC000072375399 205338284 /nfs/dbraw/zinc/33/82/84/205338284.db2.gz OFXUILIYIULMSY-HXUWFJFHSA-N 1 1 376.508 4.391 40 0 GIABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072379248 205339996 /nfs/dbraw/zinc/33/99/96/205339996.db2.gz KWUXCQAINAGYHQ-IBGZPJMESA-N 1 1 392.478 4.054 40 0 GIABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1CSc1ccc(Cl)cc1 ZINC000224389745 206020958 /nfs/dbraw/zinc/02/09/58/206020958.db2.gz HSOPKUZXSUPPGI-UHFFFAOYSA-N 1 1 390.936 4.029 40 0 GIABMO CC[NH+]1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000224964552 206032956 /nfs/dbraw/zinc/03/29/56/206032956.db2.gz DUFAUGKPMFLHTL-UHFFFAOYSA-N 1 1 395.890 4.440 40 0 GIABMO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225618731 206060780 /nfs/dbraw/zinc/06/07/80/206060780.db2.gz NDYPPFRVIJOHAF-PGRDOPGGSA-N 1 1 376.541 4.474 40 0 GIABMO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225692879 206067807 /nfs/dbraw/zinc/06/78/07/206067807.db2.gz VPZJWYBMVHSAOQ-AVRDEDQJSA-N 1 1 376.541 4.474 40 0 GIABMO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[N@@H+](C)CCO)C=C3C)o2)cc1 ZINC000030883113 206083190 /nfs/dbraw/zinc/08/31/90/206083190.db2.gz FAUZOWFXSCBIKF-FKBYEOEOSA-N 1 1 397.563 4.366 40 0 biogenic,in-vitro GIABMO Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH+](Cc4cnc[nH]4)CC3)CO[C@H]21 ZINC000257203602 206157878 /nfs/dbraw/zinc/15/78/78/206157878.db2.gz AQVJQSYAHALEGK-PZJWPPBQSA-N 1 1 381.520 4.249 40 0 GIABMO CCn1cc(C[NH+]2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)cn1 ZINC000257213382 206160089 /nfs/dbraw/zinc/16/00/89/206160089.db2.gz CHIDLDVHKDZWPX-UHFFFAOYSA-N 1 1 376.508 4.125 40 0 GIABMO Cc1ncsc1C[N@H+]1CC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n32)C1 ZINC000257298942 206174905 /nfs/dbraw/zinc/17/49/05/206174905.db2.gz RNZSKHAYSMSUFK-MRXNPFEDSA-N 1 1 393.491 4.290 40 0 GIABMO CC(C)Oc1cccc(CNc2cc(-c3c[nH]nc3[C@@H]3CC[N@@H+](C)C3)ccn2)c1 ZINC000257306322 206176818 /nfs/dbraw/zinc/17/68/18/206176818.db2.gz STUQPOSWGLWSHB-LJQANCHMSA-N 1 1 391.519 4.290 40 0 GIABMO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@H+]2Cc2cccc(C)n2)c1 ZINC000257260176 206168365 /nfs/dbraw/zinc/16/83/65/206168365.db2.gz LBQQJKNVIFYVFL-FIXSFTCYSA-N 1 1 393.531 4.163 40 0 GIABMO COc1ccc(Nc2cc(C)nc([C@@H]3CC[N@@H+](Cc4cn(C)nc4C)C3)c2)cc1 ZINC000257334420 206181831 /nfs/dbraw/zinc/18/18/31/206181831.db2.gz YFUJNHOMALXAQE-GOSISDBHSA-N 1 1 391.519 4.174 40 0 GIABMO Fc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 ZINC000306125954 206197459 /nfs/dbraw/zinc/19/74/59/206197459.db2.gz DGYFWGMDZSOSQI-JOCHJYFZSA-N 1 1 381.426 4.003 40 0 GIABMO Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)s1 ZINC000306124856 206197673 /nfs/dbraw/zinc/19/76/73/206197673.db2.gz CAVLLZBYLZYSOD-RTBURBONSA-N 1 1 383.542 4.001 40 0 GIABMO Cc1ccc(C[N@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)s1 ZINC000306130522 206199843 /nfs/dbraw/zinc/19/98/43/206199843.db2.gz JIUROBKFGJJUGT-GOSISDBHSA-N 1 1 375.501 4.151 40 0 GIABMO CN1CC[N@H+](Cc2cccs2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306131639 206202167 /nfs/dbraw/zinc/20/21/67/206202167.db2.gz KKVBCBBWTNXXKJ-IBGZPJMESA-N 1 1 395.557 4.008 40 0 GIABMO CN1CC[N@@H+](Cc2cccs2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306131639 206202172 /nfs/dbraw/zinc/20/21/72/206202172.db2.gz KKVBCBBWTNXXKJ-IBGZPJMESA-N 1 1 395.557 4.008 40 0 GIABMO CN1CC[N@H+](Cc2ccsc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306136741 206203190 /nfs/dbraw/zinc/20/31/90/206203190.db2.gz QBQTZZGSDQYXLZ-IBGZPJMESA-N 1 1 395.557 4.008 40 0 GIABMO CN1CC[N@@H+](Cc2ccsc2)C[C@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306136741 206203194 /nfs/dbraw/zinc/20/31/94/206203194.db2.gz QBQTZZGSDQYXLZ-IBGZPJMESA-N 1 1 395.557 4.008 40 0 GIABMO CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C)n1 ZINC000328982106 570210413 /nfs/dbraw/zinc/21/04/13/570210413.db2.gz GXZFGLFFZNIUKB-LBPRGKRZSA-N 1 1 380.414 4.457 40 0 GIABMO CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000329021739 570213504 /nfs/dbraw/zinc/21/35/04/570213504.db2.gz OIJJKCLGKXLFOX-GOSISDBHSA-N 1 1 388.943 4.245 40 0 GIABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329039658 570214331 /nfs/dbraw/zinc/21/43/31/570214331.db2.gz RYIHRTYEOHFWPR-UHFFFAOYSA-N 1 1 392.503 4.058 40 0 GIABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329039658 570214333 /nfs/dbraw/zinc/21/43/33/570214333.db2.gz RYIHRTYEOHFWPR-UHFFFAOYSA-N 1 1 392.503 4.058 40 0 GIABMO CC(C)c1nc(NC2CC2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329066307 570216126 /nfs/dbraw/zinc/21/61/26/570216126.db2.gz XZMDKKJXUPEMAG-UHFFFAOYSA-N 1 1 387.325 4.500 40 0 GIABMO Clc1cccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC000096244345 570223798 /nfs/dbraw/zinc/22/37/98/570223798.db2.gz CCFWFNUMAXDMNM-QHCPKHFHSA-N 1 1 391.902 4.471 40 0 GIABMO CC(=O)N1CCCC[C@H]2[N@@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CCC[C@@]21C ZINC000585282803 570251021 /nfs/dbraw/zinc/25/10/21/570251021.db2.gz HYFTYIFHWAHTTC-SCPDWHHUSA-N 1 1 378.601 4.209 40 0 GIABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000021822223 570314978 /nfs/dbraw/zinc/31/49/78/570314978.db2.gz FEXQYNVUMVIVGE-UHFFFAOYSA-N 1 1 385.511 4.110 40 0 GIABMO CC[NH+](CC)CCNCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000022074942 570321316 /nfs/dbraw/zinc/32/13/16/570321316.db2.gz SPZMHZKARUGTRI-UHFFFAOYSA-N 1 1 394.918 4.498 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CSCc1cccc(Cl)c1 ZINC000022535262 570321312 /nfs/dbraw/zinc/32/13/12/570321312.db2.gz VZWAHKUPEGDKST-UHFFFAOYSA-N 1 1 385.920 4.384 40 0 GIABMO CCOC(=O)c1cnc2c(-c3cccc(Cl)c3)c(C)nn2c1/C=C/[NH+](C)C ZINC000022607522 570322907 /nfs/dbraw/zinc/32/29/07/570322907.db2.gz WWCPSBQNCVVKHH-MDZDMXLPSA-N 1 1 384.867 4.067 40 0 GIABMO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000223012489 570437271 /nfs/dbraw/zinc/43/72/71/570437271.db2.gz AOVWVSHUFYIVRE-NRFANRHFSA-N 1 1 386.923 4.150 40 0 GIABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 ZINC000223242707 570452223 /nfs/dbraw/zinc/45/22/23/570452223.db2.gz LBFDOQJIMSJJSD-HTAPYJJXSA-N 1 1 380.507 4.404 40 0 GIABMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000223250285 570452887 /nfs/dbraw/zinc/45/28/87/570452887.db2.gz OXZFZIMLXHSQHJ-HXUWFJFHSA-N 1 1 380.532 4.230 40 0 GIABMO CC[N@@H+](C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000226072390 570458898 /nfs/dbraw/zinc/45/88/98/570458898.db2.gz RDMZABSFBLMXRE-OCKRMRLHSA-N 1 1 379.585 4.004 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000223431649 570465834 /nfs/dbraw/zinc/46/58/34/570465834.db2.gz DHXAPPYPSNHKMJ-QGZVFWFLSA-N 1 1 389.499 4.143 40 0 GIABMO CO[C@@]1(COc2ccc(C)cc2)CCC[N@@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257211784 570487315 /nfs/dbraw/zinc/48/73/15/570487315.db2.gz CAIYKEOCTMWKIA-QHCPKHFHSA-N 1 1 379.504 4.321 40 0 GIABMO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000257211784 570487318 /nfs/dbraw/zinc/48/73/18/570487318.db2.gz CAIYKEOCTMWKIA-QHCPKHFHSA-N 1 1 379.504 4.321 40 0 GIABMO CO[C@@]1(COc2ccc(C)cc2)CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000257211784 570487321 /nfs/dbraw/zinc/48/73/21/570487321.db2.gz CAIYKEOCTMWKIA-QHCPKHFHSA-N 1 1 379.504 4.321 40 0 GIABMO Cc1ccccc1NC(=O)C[NH+]1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 ZINC000035311822 570551569 /nfs/dbraw/zinc/55/15/69/570551569.db2.gz GGGLVCVVXQPAQO-UHFFFAOYSA-N 1 1 376.504 4.306 40 0 GIABMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000013763783 570676292 /nfs/dbraw/zinc/67/62/92/570676292.db2.gz NENICZBEIUETKY-WNSKOXEYSA-N 1 1 397.519 4.102 40 0 GIABMO CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812414 570707317 /nfs/dbraw/zinc/70/73/17/570707317.db2.gz BCLYDPKAXVCNFX-XMSQKQJNSA-N 1 1 376.541 4.474 40 0 GIABMO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260814462 570707901 /nfs/dbraw/zinc/70/79/01/570707901.db2.gz IRPLEQQJILVSQL-SFHVURJKSA-N 1 1 376.541 4.331 40 0 GIABMO Cc1cccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000260922498 570714512 /nfs/dbraw/zinc/71/45/12/570714512.db2.gz GVUONBZJZHLAHE-SFHVURJKSA-N 1 1 380.532 4.344 40 0 GIABMO CCc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccc(OC)c(CO)c2)cc1 ZINC000013569095 570850730 /nfs/dbraw/zinc/85/07/30/570850730.db2.gz JRRWRYPEAOMMBE-UHFFFAOYSA-N 1 1 376.500 4.347 40 0 GIABMO COc1ccc(C[N@H+](Cc2ccnc3ccccc23)C[C@H]2CCCO2)cc1OC ZINC000013994193 570868907 /nfs/dbraw/zinc/86/89/07/570868907.db2.gz TTXUMTSSJQMSKE-HXUWFJFHSA-N 1 1 392.499 4.433 40 0 GIABMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000001437867 570899551 /nfs/dbraw/zinc/89/95/51/570899551.db2.gz XVOWKWVSFLHRFU-RBUKOAKNSA-N 1 1 388.305 4.228 40 0 GIABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)Cc3cccc(C)c3)CC2)nn1C ZINC000257308911 570905910 /nfs/dbraw/zinc/90/59/10/570905910.db2.gz TYSCUGVXUSBVIP-AQYVVDRMSA-N 1 1 396.579 4.113 40 0 GIABMO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@H+]3C)CC1 ZINC000257310444 570906895 /nfs/dbraw/zinc/90/68/95/570906895.db2.gz UFCLHBIXECGMGI-GNJRFXKQSA-N 1 1 384.564 4.061 40 0 GIABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)Cc3ccccc3C)CC2)nn1C ZINC000257344228 570910888 /nfs/dbraw/zinc/91/08/88/570910888.db2.gz ZWEWPBSHOIXPHN-MEMLXQNLSA-N 1 1 396.579 4.113 40 0 GIABMO O=C(Cc1cccc(O)c1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100831 570928510 /nfs/dbraw/zinc/92/85/10/570928510.db2.gz YFIKZBIXPLBJDW-XMMPIXPASA-N 1 1 396.506 4.121 40 0 GIABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102280 570930537 /nfs/dbraw/zinc/93/05/37/570930537.db2.gz WASCXWRRCZLYOJ-XMMPIXPASA-N 1 1 389.499 4.325 40 0 GIABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102280 570930539 /nfs/dbraw/zinc/93/05/39/570930539.db2.gz WASCXWRRCZLYOJ-XMMPIXPASA-N 1 1 389.499 4.325 40 0 GIABMO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3F)C[C@@H]21 ZINC000585109587 570938000 /nfs/dbraw/zinc/93/80/00/570938000.db2.gz XVCKKNSDRGKCBV-IRFCIJBXSA-N 1 1 384.470 4.397 40 0 GIABMO Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccnc4)[C@H]3C2)c1 ZINC000585107847 570939464 /nfs/dbraw/zinc/93/94/64/570939464.db2.gz RZRPNXJECOPAAP-PMVMPFDFSA-N 1 1 377.532 4.071 40 0 GIABMO Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccnc4)[C@@H]3C2)c1 ZINC000585107846 570939570 /nfs/dbraw/zinc/93/95/70/570939570.db2.gz RZRPNXJECOPAAP-MDNUFGMLSA-N 1 1 377.532 4.071 40 0 GIABMO Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccnc4)[C@H]3C2)c1 ZINC000585107845 570939797 /nfs/dbraw/zinc/93/97/97/570939797.db2.gz RZRPNXJECOPAAP-ACIOBRDBSA-N 1 1 377.532 4.071 40 0 GIABMO Cc1cccnc1[C@@H](Cc1ccsc1)[NH2+]Cc1cnc(N2CCCCC2)nc1 ZINC000019237658 570967526 /nfs/dbraw/zinc/96/75/26/570967526.db2.gz LESCAVFPBDGMJC-HXUWFJFHSA-N 1 1 393.560 4.305 40 0 GIABMO Fc1cccc(C[N@@H+](CCCn2ccnc2)Cc2cccn2-c2cccnc2)c1 ZINC000019293764 570973275 /nfs/dbraw/zinc/97/32/75/570973275.db2.gz BVGSYROOSHMQNI-UHFFFAOYSA-N 1 1 389.478 4.300 40 0 GIABMO CCCCC[NH+]1CCN([C@@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1 ZINC000019369612 570980647 /nfs/dbraw/zinc/98/06/47/570980647.db2.gz BVDCRVMWNQTQFJ-QHCPKHFHSA-N 1 1 392.543 4.319 40 0 GIABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)no1 ZINC000019371275 570981077 /nfs/dbraw/zinc/98/10/77/570981077.db2.gz RHXQXFAGCMCTCP-LJQANCHMSA-N 1 1 381.520 4.159 40 0 GIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000019400478 570982495 /nfs/dbraw/zinc/98/24/95/570982495.db2.gz RDCZZDSXLRNKBC-OFNKIYASSA-N 1 1 392.547 4.240 40 0 GIABMO CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@H+]3C)[nH]n1 ZINC000019451879 570985730 /nfs/dbraw/zinc/98/57/30/570985730.db2.gz MPIVFYAYXFVNJR-STZQEDGTSA-N 1 1 380.536 4.016 40 0 GIABMO CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)n[nH]1 ZINC000019451879 570985733 /nfs/dbraw/zinc/98/57/33/570985733.db2.gz MPIVFYAYXFVNJR-STZQEDGTSA-N 1 1 380.536 4.016 40 0 GIABMO CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@H+]3C)n[nH]1 ZINC000019451879 570985736 /nfs/dbraw/zinc/98/57/36/570985736.db2.gz MPIVFYAYXFVNJR-STZQEDGTSA-N 1 1 380.536 4.016 40 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BDTPNOPDWMHOIB-QGZVFWFLSA-N 1 1 381.451 4.126 40 0 GIABMO COc1cccc(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)c1 ZINC000019738951 818604406 /nfs/dbraw/zinc/60/44/06/818604406.db2.gz BDTPNOPDWMHOIB-QGZVFWFLSA-N 1 1 381.451 4.126 40 0 GIABMO COc1cccc(C[N@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)c1 ZINC000019738951 818604412 /nfs/dbraw/zinc/60/44/12/818604412.db2.gz BDTPNOPDWMHOIB-QGZVFWFLSA-N 1 1 381.451 4.126 40 0 GIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765267 818604935 /nfs/dbraw/zinc/60/49/35/818604935.db2.gz XEEBKBHXGKRTBX-HXUWFJFHSA-N 1 1 386.499 4.417 40 0 GIABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(C)cn2)c(C)c1C ZINC000012089095 204371203 /nfs/dbraw/zinc/37/12/03/204371203.db2.gz NOXULBYTQYEMCM-SVGJNIJCSA-N 1 1 380.532 4.135 40 0 GIABMO CCC(=O)N1CCCc2cc([C@@H](O)C[N@@H+]3CC=C(c4ccccc4)CC3)ccc21 ZINC000012291595 204390013 /nfs/dbraw/zinc/39/00/13/204390013.db2.gz OOEKHCDGDSZTSQ-DEOSSOPVSA-N 1 1 390.527 4.199 40 0 GIABMO COc1ccc(C[C@@H](C(=O)OC2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000013510177 204492495 /nfs/dbraw/zinc/49/24/95/204492495.db2.gz GNHPJGJHBNDLTI-PEKDZNBDSA-N 1 1 381.516 4.436 40 0 GIABMO COC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000020110222 204702944 /nfs/dbraw/zinc/70/29/44/204702944.db2.gz YMMXYVFVGXRSTE-INIZCTEOSA-N 1 1 380.488 4.266 40 0 GIABMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834007 205039505 /nfs/dbraw/zinc/03/95/05/205039505.db2.gz FZOOLTRGULNIDV-OAHLLOKOSA-N 1 1 391.284 4.439 40 0 GIABMO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038849399 205039708 /nfs/dbraw/zinc/03/97/08/205039708.db2.gz KFDNCCNZAVXGID-OAHLLOKOSA-N 1 1 376.859 4.338 40 0 GIABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000038834941 205039143 /nfs/dbraw/zinc/03/91/43/205039143.db2.gz FZJJVYJUEYRFGJ-MRXNPFEDSA-N 1 1 388.895 4.208 40 0 GIABMO Cc1cc2c(cc1C[N@@H+](CCCn1ccnc1)Cc1ccc(F)cc1)OCO2 ZINC000043277684 205082118 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GIABMO Cc1ccc(Cc2cccc([C@H]3CCC[N@H+]3CC(=O)N3CCCCC3)n2)cc1 ZINC000072357624 205332132 /nfs/dbraw/zinc/33/21/32/205332132.db2.gz IHBDUYYFPNONLL-HSZRJFAPSA-N 1 1 377.532 4.130 40 0 GIABMO Cc1cc(N2CC[C@H](c3c4ccccc4sc3C(=O)N(C)C)C2)nc(C)[nH+]1 ZINC000072352432 205332348 /nfs/dbraw/zinc/33/23/48/205332348.db2.gz WDBKIOHCIMCXKU-HNNXBMFYSA-N 1 1 380.517 4.004 40 0 GIABMO Cc1ccc(OCC[N@H+]2CC[C@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000072352188 205333046 /nfs/dbraw/zinc/33/30/46/205333046.db2.gz WLOAPJYLSMPTGU-INIZCTEOSA-N 1 1 380.513 4.177 40 0 GIABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+]2CCc2ccc(F)cc2)n1 ZINC000072354833 205333371 /nfs/dbraw/zinc/33/33/71/205333371.db2.gz JCFJFWOAQBQJGC-HXUWFJFHSA-N 1 1 380.442 4.384 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@H]2c2nccnc2-n2ccnc2C(C)C)cc1 ZINC000072359239 205334671 /nfs/dbraw/zinc/33/46/71/205334671.db2.gz AOYVCHGJRFAGLH-IBGZPJMESA-N 1 1 377.492 4.131 40 0 GIABMO Fc1cccc(OCCc2cc([C@H]3CC[N@@H+](CCc4ccccc4)C3)[nH]n2)c1 ZINC000072371233 205335383 /nfs/dbraw/zinc/33/53/83/205335383.db2.gz RMQMPKDALSDACQ-IBGZPJMESA-N 1 1 379.479 4.202 40 0 GIABMO Fc1cccc(OCCc2cc([C@H]3CC[N@H+](CCc4ccccc4)C3)n[nH]2)c1 ZINC000072371233 205335387 /nfs/dbraw/zinc/33/53/87/205335387.db2.gz RMQMPKDALSDACQ-IBGZPJMESA-N 1 1 379.479 4.202 40 0 GIABMO Fc1cccc(OCCc2cc([C@H]3CC[N@@H+](CCc4ccccc4)C3)n[nH]2)c1 ZINC000072371233 205335391 /nfs/dbraw/zinc/33/53/91/205335391.db2.gz RMQMPKDALSDACQ-IBGZPJMESA-N 1 1 379.479 4.202 40 0 GIABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)c2ccccc21 ZINC000072375755 205337048 /nfs/dbraw/zinc/33/70/48/205337048.db2.gz MAEVPWKLPWFWMA-OAQYLSRUSA-N 1 1 384.487 4.444 40 0 GIABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)c(C)n1 ZINC000072375412 205337901 /nfs/dbraw/zinc/33/79/01/205337901.db2.gz BTUMVXXSVRFGDH-FQEVSTJZSA-N 1 1 376.508 4.391 40 0 GIABMO c1cc2cc(C[N@H+]3CCC[C@H](c4ccnc(Nc5ccccn5)n4)C3)ccc2[nH]1 ZINC000072378106 205338843 /nfs/dbraw/zinc/33/88/43/205338843.db2.gz JFJISTCCKMNLNK-IBGZPJMESA-N 1 1 384.487 4.476 40 0 GIABMO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 ZINC000072379253 205339015 /nfs/dbraw/zinc/33/90/15/205339015.db2.gz BVGRLQHZLQEOJG-UHFFFAOYSA-N 1 1 392.478 4.054 40 0 GIABMO Cc1cnc(Nc2cc(C[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)nc(C)n2)s1 ZINC000072383468 205339518 /nfs/dbraw/zinc/33/95/18/205339518.db2.gz JKJCJYLLHJWECH-KRWDZBQOSA-N 1 1 394.548 4.143 40 0 GIABMO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@@H+]2CCCc2ccccc2)n[nH]1 ZINC000072380625 205339848 /nfs/dbraw/zinc/33/98/48/205339848.db2.gz UCXRTMZOGVNORI-QFIPXVFZSA-N 1 1 380.536 4.242 40 0 GIABMO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@H+]2CCCc2ccccc2)n[nH]1 ZINC000072380625 205339851 /nfs/dbraw/zinc/33/98/51/205339851.db2.gz UCXRTMZOGVNORI-QFIPXVFZSA-N 1 1 380.536 4.242 40 0 GIABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3ccccn3)C2)[nH]n1 ZINC000072378129 205340465 /nfs/dbraw/zinc/34/04/65/205340465.db2.gz XKTBJQHJCVJQJB-MRXNPFEDSA-N 1 1 382.895 4.069 40 0 GIABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3ccccn3)C2)n[nH]1 ZINC000072378129 205340466 /nfs/dbraw/zinc/34/04/66/205340466.db2.gz XKTBJQHJCVJQJB-MRXNPFEDSA-N 1 1 382.895 4.069 40 0 GIABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3ccccn3)C2)n[nH]1 ZINC000072378129 205340471 /nfs/dbraw/zinc/34/04/71/205340471.db2.gz XKTBJQHJCVJQJB-MRXNPFEDSA-N 1 1 382.895 4.069 40 0 GIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000223660512 206004326 /nfs/dbraw/zinc/00/43/26/206004326.db2.gz RPDUYSIOVMVWPX-UHFFFAOYSA-N 1 1 391.515 4.346 40 0 GIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(Br)cc1 ZINC000225580728 206058784 /nfs/dbraw/zinc/05/87/84/206058784.db2.gz VIHFVTBVGTZOEW-MRXNPFEDSA-N 1 1 384.387 4.390 40 0 GIABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1 ZINC000225590458 206059178 /nfs/dbraw/zinc/05/91/78/206059178.db2.gz JCIGPLZFHCHUTJ-CYBMUJFWSA-N 1 1 393.742 4.496 40 0 GIABMO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225606713 206060602 /nfs/dbraw/zinc/06/06/02/206060602.db2.gz GCEOQXRIPTXWPQ-XMSQKQJNSA-N 1 1 376.541 4.187 40 0 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ZINC000257311782 206177952 /nfs/dbraw/zinc/17/79/52/206177952.db2.gz UKZLAASMCJCZPE-WXFUMESZSA-N 1 1 382.523 4.252 40 0 GIABMO Cc1ncc(C[N@H+]2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccccc2)s1 ZINC000257344437 206182606 /nfs/dbraw/zinc/18/26/06/206182606.db2.gz ZXEUGTIESHQSBM-IFMALSPDSA-N 1 1 383.561 4.387 40 0 GIABMO C[C@@H](C(=O)N(C)C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)c1ccccc1 ZINC000257319622 206178950 /nfs/dbraw/zinc/17/89/50/206178950.db2.gz VTIPMLNRLKSFAN-SFHLNBCPSA-N 1 1 396.579 4.018 40 0 GIABMO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257338727 206181175 /nfs/dbraw/zinc/18/11/75/206181175.db2.gz YYSNZHVUTMXWJF-UWJYYQICSA-N 1 1 387.524 4.347 40 0 GIABMO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccccc4F)C2)OC3)cc1 ZINC000306139216 206205851 /nfs/dbraw/zinc/20/58/51/206205851.db2.gz SSICULXSHNCWRX-JOCHJYFZSA-N 1 1 381.426 4.003 40 0 GIABMO Cc1cccc(CN2CCN(C)[C@@H](c3[nH+]cn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306142338 206206388 /nfs/dbraw/zinc/20/63/88/206206388.db2.gz WWGFQZSUMAGHIK-XMMPIXPASA-N 1 1 397.526 4.193 40 0 GIABMO Cc1cccc(C[N@H+]2CCN(C)[C@@H](c3ncn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306142338 206206390 /nfs/dbraw/zinc/20/63/90/206206390.db2.gz WWGFQZSUMAGHIK-XMMPIXPASA-N 1 1 397.526 4.193 40 0 GIABMO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](c3ncn4cc(-c5ccccc5)ccc34)C2)n1 ZINC000306142338 206206396 /nfs/dbraw/zinc/20/63/96/206206396.db2.gz WWGFQZSUMAGHIK-XMMPIXPASA-N 1 1 397.526 4.193 40 0 GIABMO O=C(c1ccsc1)N1C[C@@]2(CC[N@H+](Cc3cccc(F)c3)C2)c2ncccc21 ZINC000306143840 206207322 /nfs/dbraw/zinc/20/73/22/206207322.db2.gz YNZUMIJYNPFWPT-QFIPXVFZSA-N 1 1 393.487 4.086 40 0 GIABMO O=C1CC[C@@]2(c3ccccc3)CC[N@@H+](CCc3ccccc3)[C@H]2CN1CC1CC1 ZINC000306133352 206201618 /nfs/dbraw/zinc/20/16/18/206201618.db2.gz MJGVWLOSQSUSOC-AHWVRZQESA-N 1 1 388.555 4.274 40 0 GIABMO c1ccc(CNc2ccc3nc([C@@H]4CCC[N@@H+](Cc5cccnc5)C4)nn3c2)cc1 ZINC000306133764 206201827 /nfs/dbraw/zinc/20/18/27/206201827.db2.gz MVIYUYKPJDQMCT-OAQYLSRUSA-N 1 1 398.514 4.116 40 0 GIABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306134199 206204028 /nfs/dbraw/zinc/20/40/28/206204028.db2.gz NFOUMMKKZDPRMK-HXUWFJFHSA-N 1 1 375.520 4.018 40 0 GIABMO c1csc(-c2nc(N3CC[N@@H+]4CCCC[C@@H]4C3)ncc2-c2ccsc2)n1 ZINC000072396678 136169383 /nfs/dbraw/zinc/16/93/83/136169383.db2.gz MBWVEYIKAUEFTR-OAHLLOKOSA-N 1 1 383.546 4.003 40 0 GIABMO O=C(c1ccccc1Br)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000408610705 534747539 /nfs/dbraw/zinc/74/75/39/534747539.db2.gz RPLDNIJVPXLEQH-UHFFFAOYSA-N 1 1 399.332 4.112 40 0 GIABMO CC(C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C2CC2)[nH+]1 ZINC000329022640 529115596 /nfs/dbraw/zinc/11/55/96/529115596.db2.gz OOIHIUKSCJRAGH-UHFFFAOYSA-N 1 1 392.425 4.058 40 0 GIABMO C[C@@]1(O)CC[N@@H+](CC2CCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289694 560032109 /nfs/dbraw/zinc/03/21/09/560032109.db2.gz BIHQFZKXWIDZRC-QNWVGRARSA-N 1 1 398.572 4.235 40 0 biogenic,in-vitro GIABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4c[nH]c5ccccc45)C3)o2)cc1 ZINC000049170213 560084528 /nfs/dbraw/zinc/08/45/28/560084528.db2.gz HSCHUKWORPMDQM-KRWDZBQOSA-N 1 1 387.487 4.273 40 0 biogenic,in-vitro GIABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CC3)[nH+]c(C3CC3)n1)CC2 ZINC000329050849 570215247 /nfs/dbraw/zinc/21/52/47/570215247.db2.gz UVERIKGIVXCHOJ-UHFFFAOYSA-N 1 1 390.409 4.390 40 0 GIABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CC3)nc(C3CC3)[nH+]1)CC2 ZINC000329050849 570215249 /nfs/dbraw/zinc/21/52/49/570215249.db2.gz UVERIKGIVXCHOJ-UHFFFAOYSA-N 1 1 390.409 4.390 40 0 GIABMO CC[C@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329066135 570215989 /nfs/dbraw/zinc/21/59/89/570215989.db2.gz XXISCDNYTTVAKW-HNNXBMFYSA-N 1 1 380.536 4.355 40 0 GIABMO CC[C@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329066135 570215993 /nfs/dbraw/zinc/21/59/93/570215993.db2.gz XXISCDNYTTVAKW-HNNXBMFYSA-N 1 1 380.536 4.355 40 0 GIABMO CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C)n1 ZINC000329069116 570216716 /nfs/dbraw/zinc/21/67/16/570216716.db2.gz YVIJRUAKCTZBEF-LBPRGKRZSA-N 1 1 380.414 4.457 40 0 GIABMO CCCc1ccc(C(=O)N2CCc3c(C[NH+]4CCCC4)nn(C(C)C)c3C2)cc1 ZINC000096255944 570225303 /nfs/dbraw/zinc/22/53/03/570225303.db2.gz QVLZGTIDGSUXRF-UHFFFAOYSA-N 1 1 394.563 4.211 40 0 GIABMO CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019932116 570231065 /nfs/dbraw/zinc/23/10/65/570231065.db2.gz SVLGIEFJBJTBAZ-HSZRJFAPSA-N 1 1 388.511 4.342 40 0 GIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 ZINC000019933975 570231449 /nfs/dbraw/zinc/23/14/49/570231449.db2.gz FIYKJCONABDLND-QGZVFWFLSA-N 1 1 377.488 4.388 40 0 GIABMO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020041690 570236936 /nfs/dbraw/zinc/23/69/36/570236936.db2.gz KCCBDJRWUYMYPY-JOCHJYFZSA-N 1 1 377.488 4.271 40 0 GIABMO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000020107040 570240072 /nfs/dbraw/zinc/24/00/72/570240072.db2.gz VYWLKICTLZXXAX-MSOLQXFVSA-N 1 1 396.531 4.427 40 0 GIABMO Cc1cc(OC[C@@]2(O)COCC[N@H+]([C@H]3CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287548 570258675 /nfs/dbraw/zinc/25/86/75/570258675.db2.gz OEPPLCYXPUVWAI-YDHSSHFGSA-N 1 1 393.543 4.181 40 0 GIABMO CCCCC[NH+]1CCN([C@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1 ZINC000022030361 570302718 /nfs/dbraw/zinc/30/27/18/570302718.db2.gz BVDCRVMWNQTQFJ-HSZRJFAPSA-N 1 1 392.543 4.319 40 0 GIABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216468 570317260 /nfs/dbraw/zinc/31/72/60/570317260.db2.gz VSNSVOSKRVVHBQ-IBGZPJMESA-N 1 1 388.556 4.076 40 0 GIABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936237 570322567 /nfs/dbraw/zinc/32/25/67/570322567.db2.gz ARYQIIRDHCXNGX-SIKLNZKXSA-N 1 1 384.495 4.314 40 0 GIABMO CCCSc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1 ZINC000223692733 570479295 /nfs/dbraw/zinc/47/92/95/570479295.db2.gz ZMKDBHTVGUPUNO-CQSZACIVSA-N 1 1 394.541 4.030 40 0 GIABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257249902 570488218 /nfs/dbraw/zinc/48/82/18/570488218.db2.gz JKFBYUMZYUVNNV-QFIPXVFZSA-N 1 1 383.467 4.152 40 0 GIABMO CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000257249902 570488220 /nfs/dbraw/zinc/48/82/20/570488220.db2.gz JKFBYUMZYUVNNV-QFIPXVFZSA-N 1 1 383.467 4.152 40 0 GIABMO CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000257249902 570488221 /nfs/dbraw/zinc/48/82/21/570488221.db2.gz JKFBYUMZYUVNNV-QFIPXVFZSA-N 1 1 383.467 4.152 40 0 GIABMO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000030946084 570501713 /nfs/dbraw/zinc/50/17/13/570501713.db2.gz KAXNRLLZJFCTHS-LJQANCHMSA-N 1 1 386.923 4.219 40 0 GIABMO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000030946087 570501805 /nfs/dbraw/zinc/50/18/05/570501805.db2.gz KAXNRLLZJFCTHS-IBGZPJMESA-N 1 1 386.923 4.219 40 0 GIABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NC(=O)c2ccccc2Cl)C3)cc1 ZINC000035291752 570551230 /nfs/dbraw/zinc/55/12/30/570551230.db2.gz KDHDZXKMUXQSHP-AYHJJNSGSA-N 1 1 384.907 4.274 40 0 GIABMO Fc1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035780467 570557715 /nfs/dbraw/zinc/55/77/15/570557715.db2.gz AMMVHVUHCPVNCO-XWDORNJCSA-N 1 1 385.552 4.418 40 0 GIABMO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002312405 570589694 /nfs/dbraw/zinc/58/96/94/570589694.db2.gz GFUQQOVSQZRWCR-NPGVVQFXSA-N 1 1 397.519 4.182 40 0 GIABMO Clc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)cc1Cl ZINC000013569039 570850787 /nfs/dbraw/zinc/85/07/87/570850787.db2.gz JDAVCWKENDGKHX-UHFFFAOYSA-N 1 1 394.346 4.113 40 0 GIABMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000189097144 570923732 /nfs/dbraw/zinc/92/37/32/570923732.db2.gz UJJQILJHKRYPAD-UHFFFAOYSA-N 1 1 376.859 4.338 40 0 GIABMO Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100569 570924853 /nfs/dbraw/zinc/92/48/53/570924853.db2.gz NTNHLORCUDGROV-QFIPXVFZSA-N 1 1 385.483 4.091 40 0 GIABMO C[C@H](c1ccccc1)[N@H+]1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585103565 570929221 /nfs/dbraw/zinc/92/92/21/570929221.db2.gz DMRCQCJPAVDZMB-JXALWOEJSA-N 1 1 378.516 4.060 40 0 GIABMO CC(=O)Nc1cccc(/C=C\c2[nH+]c(N)nc(N)c2-c2ccc(Cl)cc2)c1 ZINC000017040148 570937984 /nfs/dbraw/zinc/93/79/84/570937984.db2.gz YBGXPSTUBSFQLY-YHYXMXQVSA-N 1 1 379.851 4.090 40 0 GIABMO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)on1 ZINC000019120609 570956989 /nfs/dbraw/zinc/95/69/89/570956989.db2.gz WHAUOBGWABBOFA-DENIHFKCSA-N 1 1 397.906 4.291 40 0 GIABMO Clc1ccc(C[NH+]2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1Cl ZINC000019292883 570972716 /nfs/dbraw/zinc/97/27/16/570972716.db2.gz NILRIPZANJRJIC-UHFFFAOYSA-N 1 1 390.274 4.213 40 0 GIABMO COc1ccc([C@@H](NC(=O)[C@H](C)n2cc[nH+]c2C(C)C)c2ccccc2)cc1 ZINC000019454319 570986798 /nfs/dbraw/zinc/98/67/98/570986798.db2.gz MHLXAUJMUDUQIU-UWJYYQICSA-N 1 1 377.488 4.482 40 0 GIABMO COc1ccccc1-c1ccc(CN2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019497387 570990422 /nfs/dbraw/zinc/99/04/22/570990422.db2.gz VCPMNXIKEUVYHL-WOJBJXKFSA-N 1 1 394.559 4.436 40 0 GIABMO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 ZINC000019524929 570996930 /nfs/dbraw/zinc/99/69/30/570996930.db2.gz KFEHKTOGUTZXIJ-IBGZPJMESA-N 1 1 394.475 4.404 40 0 GIABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 ZINC000019524929 570996931 /nfs/dbraw/zinc/99/69/31/570996931.db2.gz KFEHKTOGUTZXIJ-IBGZPJMESA-N 1 1 394.475 4.404 40 0 GIABMO Cc1ncsc1-c1nnc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)o1 ZINC000019562807 571006369 /nfs/dbraw/zinc/00/63/69/571006369.db2.gz RQNUJRYMHMGNNB-CYBMUJFWSA-N 1 1 376.432 4.159 40 0 GIABMO CN(C)c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1 ZINC000019584586 571015295 /nfs/dbraw/zinc/01/52/95/571015295.db2.gz SRODBANAAFVVCH-IBGZPJMESA-N 1 1 391.494 4.123 40 0 GIABMO c1csc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)n1 ZINC000096038319 571097161 /nfs/dbraw/zinc/09/71/61/571097161.db2.gz BURPLQNAJQZNRH-UHFFFAOYSA-N 1 1 390.516 4.309 40 0 GIABMO Cc1cc(N2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)nc(C)[nH+]1 ZINC000019692615 818599349 /nfs/dbraw/zinc/59/93/49/818599349.db2.gz INVHHWKZTNFMCU-FQEVSTJZSA-N 1 1 380.879 4.387 40 0 GIABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)c3ccccn3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000019711726 818601901 /nfs/dbraw/zinc/60/19/01/818601901.db2.gz JPAKFKBDNFYOOB-SFLYRZDNSA-N 1 1 377.532 4.172 40 0 GIABMO O=C(NC1CCCCC1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241783 818617762 /nfs/dbraw/zinc/61/77/62/818617762.db2.gz DZPFRARVPLIZAC-UHFFFAOYSA-N 1 1 391.559 4.067 40 0 GIABMO COc1ccccc1[C@H]1c2cc3c(cc2O[C@@](C)([NH+]2CCCC2)[C@H]1C)OCO3 ZINC000005765759 204149763 /nfs/dbraw/zinc/14/97/63/204149763.db2.gz FAZGJJUOWJTADB-UQDCGMOVSA-N 1 1 381.472 4.396 40 0 GIABMO COc1ccccc1[C@@H]1c2cc3c(cc2O[C@@](C)([NH+]2CCCC2)[C@H]1C)OCO3 ZINC000005765757 204150058 /nfs/dbraw/zinc/15/00/58/204150058.db2.gz FAZGJJUOWJTADB-WADWEFIESA-N 1 1 381.472 4.396 40 0 GIABMO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000035289445 204150850 /nfs/dbraw/zinc/15/08/50/204150850.db2.gz FAOOYFOZXCTOAJ-FRIKZZABSA-N 1 1 377.488 4.206 40 0 GIABMO Clc1ccc2nc(C3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)[nH]c2c1 ZINC000035315405 204168083 /nfs/dbraw/zinc/16/80/83/204168083.db2.gz OXKSJVGFWJXBIK-MRXNPFEDSA-N 1 1 383.879 4.236 40 0 GIABMO CNc1ncccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000012326634 204399558 /nfs/dbraw/zinc/39/95/58/204399558.db2.gz STMHFWZUDNLKOC-QHCPKHFHSA-N 1 1 389.499 4.288 40 0 GIABMO CNc1ncccc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000012326634 204399562 /nfs/dbraw/zinc/39/95/62/204399562.db2.gz STMHFWZUDNLKOC-QHCPKHFHSA-N 1 1 389.499 4.288 40 0 GIABMO C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185647 204379536 /nfs/dbraw/zinc/37/95/36/204379536.db2.gz KVHANYNAKMMDJV-GOSISDBHSA-N 1 1 375.468 4.465 40 0 GIABMO Cc1cnc(-c2nc(C3CC[NH+](Cc4c(F)cccc4Cl)CC3)no2)cn1 ZINC000012337368 204398821 /nfs/dbraw/zinc/39/88/21/204398821.db2.gz LJNPWCJCZUUTRF-UHFFFAOYSA-N 1 1 387.846 4.007 40 0 GIABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C/c2ccccc2OC)cc1 ZINC000012328931 204398886 /nfs/dbraw/zinc/39/88/86/204398886.db2.gz TXVDEIUSQLRHMO-MZDXCHPPSA-N 1 1 379.500 4.232 40 0 GIABMO Cc1nccc(-c2cccc(-c3noc(C[N@@H+]4C[C@@H]5CCCC[C@@H]5C4)n3)c2)n1 ZINC000012337248 204399221 /nfs/dbraw/zinc/39/92/21/204399221.db2.gz QPTHWYBEJNJWGN-KDURUIRLSA-N 1 1 375.476 4.124 40 0 GIABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)c(OC)c1 ZINC000019120919 204626093 /nfs/dbraw/zinc/62/60/93/204626093.db2.gz QGYXYODTHHMKBX-GOSISDBHSA-N 1 1 382.464 4.118 40 0 GIABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)c(OC)c1 ZINC000019120919 204626096 /nfs/dbraw/zinc/62/60/96/204626096.db2.gz QGYXYODTHHMKBX-GOSISDBHSA-N 1 1 382.464 4.118 40 0 GIABMO CC[NH+](CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2OC)[C@@H]1C)OCO3 ZINC000031861123 204907216 /nfs/dbraw/zinc/90/72/16/204907216.db2.gz XFZQJONSCZRGGL-NNIZRDCOSA-N 1 1 399.487 4.261 40 0 GIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)C1 ZINC000038753809 205037627 /nfs/dbraw/zinc/03/76/27/205037627.db2.gz HCAUKQUHKVFOQZ-IBGZPJMESA-N 1 1 388.515 4.034 40 0 GIABMO Fc1cccc(C[N@@H+](CCCn2ccnc2)Cc2cccn2-c2ccccn2)c1 ZINC000043277726 205083515 /nfs/dbraw/zinc/08/35/15/205083515.db2.gz BXEDBCGWQZZAIK-UHFFFAOYSA-N 1 1 389.478 4.300 40 0 GIABMO COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044856266 205088089 /nfs/dbraw/zinc/08/80/89/205088089.db2.gz RMYVLZUCYJWXLW-QFIPXVFZSA-N 1 1 375.472 4.056 40 0 GIABMO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000044949609 205090505 /nfs/dbraw/zinc/09/05/05/205090505.db2.gz QEHOARXMAKNOHZ-OAQYLSRUSA-N 1 1 377.488 4.271 40 0 GIABMO CCOc1ccccc1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044909928 205090612 /nfs/dbraw/zinc/09/06/12/205090612.db2.gz CPDUASDAEMXERC-OAQYLSRUSA-N 1 1 398.522 4.185 40 0 GIABMO CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044911852 205091435 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40 0 GIABMO CC(=O)N1CCCCC[C@@H]2[N@@H+](Cc3nc4ccccc4n3C(C)C)CC[C@@]21C ZINC000019713381 818603295 /nfs/dbraw/zinc/60/32/95/818603295.db2.gz BPQHRFGEYJTHPT-GMAHTHKFSA-N 1 1 382.552 4.373 40 0 GIABMO COc1cccc(C[N@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)c1 ZINC000019738952 818604218 /nfs/dbraw/zinc/60/42/18/818604218.db2.gz BDTPNOPDWMHOIB-KRWDZBQOSA-N 1 1 381.451 4.126 40 0 GIABMO COc1cccc(C[N@@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)c1 ZINC000019738952 818604221 /nfs/dbraw/zinc/60/42/21/818604221.db2.gz BDTPNOPDWMHOIB-KRWDZBQOSA-N 1 1 381.451 4.126 40 0 GIABMO COc1cccc(C[N@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)c1 ZINC000019738952 818604227 /nfs/dbraw/zinc/60/42/27/818604227.db2.gz BDTPNOPDWMHOIB-KRWDZBQOSA-N 1 1 381.451 4.126 40 0 GIABMO C[NH+]1CCN(C(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000408571199 530070241 /nfs/dbraw/zinc/07/02/41/530070241.db2.gz ACIJNLMMPFAWIN-UHFFFAOYSA-N 1 1 395.355 4.495 40 0 GIABMO Cc1ccc2nc(C3CC[NH+](CC(=O)Nc4ccc(C)cc4C)CC3)[nH]c2c1 ZINC000005625950 204142899 /nfs/dbraw/zinc/14/28/99/204142899.db2.gz GESJCCYMXCXDBY-UHFFFAOYSA-N 1 1 376.504 4.306 40 0 GIABMO CCOc1ccc2[nH]c(C(=O)N3CCC(CCn4cc[nH+]c4C)CC3)c(C)c2c1 ZINC000012147510 204376277 /nfs/dbraw/zinc/37/62/77/204376277.db2.gz WLUPGUMEWRKBQK-UHFFFAOYSA-N 1 1 394.519 4.322 40 0 GIABMO CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012183317 204378856 /nfs/dbraw/zinc/37/88/56/204378856.db2.gz FCNURHAGHGRJLO-SJLPKXTDSA-N 1 1 375.513 4.008 40 0 GIABMO COc1ccc(C[N@H+](Cc2oc3ccc(C)cc3c2C)C[C@@H](C)O)cc1OC ZINC000012185603 204379616 /nfs/dbraw/zinc/37/96/16/204379616.db2.gz IFTCNTNNIMDVRJ-MRXNPFEDSA-N 1 1 383.488 4.450 40 0 GIABMO CC(C)C(NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)C(C)C ZINC000038849188 205040934 /nfs/dbraw/zinc/04/09/34/205040934.db2.gz BVMRNEJEIVPIGK-UHFFFAOYSA-N 1 1 395.385 4.458 40 0 GIABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccn1-c1cccnc1 ZINC000043277842 205083892 /nfs/dbraw/zinc/08/38/92/205083892.db2.gz JDZOUYFFRXQCOZ-UHFFFAOYSA-N 1 1 389.478 4.300 40 0 GIABMO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1)c1ccc(OC)c(OC)c1 ZINC000044856878 205087709 /nfs/dbraw/zinc/08/77/09/205087709.db2.gz JLVFEGCWUHSHBE-HXUWFJFHSA-N 1 1 393.487 4.138 40 0 GIABMO CC(C)Oc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044882601 205087812 /nfs/dbraw/zinc/08/78/12/205087812.db2.gz KDCAHZJQWDARMP-FQEVSTJZSA-N 1 1 384.495 4.141 40 0 GIABMO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1)c1ccc(OC)c(OC)c1 ZINC000044856877 205088555 /nfs/dbraw/zinc/08/85/55/205088555.db2.gz JLVFEGCWUHSHBE-FQEVSTJZSA-N 1 1 393.487 4.138 40 0 GIABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072345897 205329251 /nfs/dbraw/zinc/32/92/51/205329251.db2.gz MUUINTFRLSSLBQ-KRWDZBQOSA-N 1 1 380.442 4.384 40 0 GIABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072350279 205331315 /nfs/dbraw/zinc/33/13/15/205331315.db2.gz KYIAYFCABUXDPE-IBGZPJMESA-N 1 1 376.504 4.353 40 0 GIABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)CC1 ZINC000072350187 205331447 /nfs/dbraw/zinc/33/14/47/205331447.db2.gz VBMRWCHMLRFRCO-SFHVURJKSA-N 1 1 381.495 4.078 40 0 GIABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)Nc4ccccc4)on3)C2)c1 ZINC000072352769 205331630 /nfs/dbraw/zinc/33/16/30/205331630.db2.gz BCVGBYLMBUQLPS-GOSISDBHSA-N 1 1 391.471 4.315 40 0 GIABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000072352499 205331806 /nfs/dbraw/zinc/33/18/06/205331806.db2.gz QVFOQOSPRUFGPY-INIZCTEOSA-N 1 1 380.513 4.259 40 0 GIABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C2CCCCC2)C1 ZINC000072395923 205342977 /nfs/dbraw/zinc/34/29/77/205342977.db2.gz MBTJIJWPYXJPOI-XMMPIXPASA-N 1 1 395.547 4.435 40 0 GIABMO COc1ccc2c(c1)c([C@@H]1C[N@@H+](Cc3sccc3C)C[C@H]1N(C)C)cn2C ZINC000072395538 205344386 /nfs/dbraw/zinc/34/43/86/205344386.db2.gz JROBCGKGOPGUMV-PZJWPPBQSA-N 1 1 383.561 4.086 40 0 GIABMO COc1ccc2c(c1)c([C@@H]1CN(Cc3sccc3C)C[C@H]1[NH+](C)C)cn2C ZINC000072395538 205344387 /nfs/dbraw/zinc/34/43/87/205344387.db2.gz JROBCGKGOPGUMV-PZJWPPBQSA-N 1 1 383.561 4.086 40 0 GIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398572 205344511 /nfs/dbraw/zinc/34/45/11/205344511.db2.gz XGORMNGAWILSHX-KNQAVFIVSA-N 1 1 395.547 4.206 40 0 GIABMO C[C@H](C[N@H+]1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1)c1ccccc1 ZINC000072398557 205344558 /nfs/dbraw/zinc/34/45/58/205344558.db2.gz BIKSJRSBRCTGDK-JZWVFAODSA-N 1 1 377.532 4.165 40 0 GIABMO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000223624770 206002341 /nfs/dbraw/zinc/00/23/41/206002341.db2.gz MIFSREUHAPFKMP-JTHBVZDNSA-N 1 1 386.580 4.494 40 0 GIABMO COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000224901517 206031295 /nfs/dbraw/zinc/03/12/95/206031295.db2.gz BWKKLAYKTFBJSC-FUHWJXTLSA-N 1 1 386.923 4.438 40 0 GIABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000225737702 206070212 /nfs/dbraw/zinc/07/02/12/206070212.db2.gz BHWPNGNSPBUVIR-KRWDZBQOSA-N 1 1 375.582 4.416 40 0 GIABMO CCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225724268 206071126 /nfs/dbraw/zinc/07/11/26/206071126.db2.gz LGMVHJPGLDJGPJ-FDDCHVKYSA-N 1 1 388.552 4.474 40 0 GIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cc(C(=O)OC)ccc1Cl ZINC000225582663 206058307 /nfs/dbraw/zinc/05/83/07/206058307.db2.gz LGLUZFHKWPENAG-HNNXBMFYSA-N 1 1 397.972 4.068 40 0 GIABMO COc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225575108 206058711 /nfs/dbraw/zinc/05/87/11/206058711.db2.gz ICCRIPGMOPVPNG-UHFFFAOYSA-N 1 1 376.859 4.338 40 0 GIABMO CN1C(=O)CCCC[C@]12C[N@@H+](CCOc1ccc(F)cc1)C[C@H]2c1ccccc1 ZINC000257218470 206161093 /nfs/dbraw/zinc/16/10/93/206161093.db2.gz DDGJCPALOUEDRW-LADGPHEKSA-N 1 1 396.506 4.075 40 0 GIABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccccc3Cl)no1)C2 ZINC000257278240 206171509 /nfs/dbraw/zinc/17/15/09/206171509.db2.gz OBKRLFIFNUUPTF-KZCJGOGDSA-N 1 1 385.895 4.082 40 0 GIABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257287745 206173405 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399.498 4.361 40 0 GIABMO Cc1ccsc1C[N@H+]1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306138538 206204957 /nfs/dbraw/zinc/20/49/57/206204957.db2.gz SAEPEBHZLZEPOC-PMACEKPBSA-N 1 1 395.503 4.079 40 0 GIABMO Clc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306142594 206207129 /nfs/dbraw/zinc/20/71/29/206207129.db2.gz XDYYVBTUOUQFNF-GOSISDBHSA-N 1 1 395.938 4.363 40 0 GIABMO c1csc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306124102 206196399 /nfs/dbraw/zinc/19/63/99/206196399.db2.gz BGDWHBPUAREEIB-SFHVURJKSA-N 1 1 375.501 4.232 40 0 GIABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2N1Cc1cccs1 ZINC000306130389 206198239 /nfs/dbraw/zinc/19/82/39/206198239.db2.gz JETNDUFLAOUMLD-PMACEKPBSA-N 1 1 397.931 4.285 40 0 GIABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2N1Cc1cccs1 ZINC000306130389 206198243 /nfs/dbraw/zinc/19/82/43/206198243.db2.gz JETNDUFLAOUMLD-PMACEKPBSA-N 1 1 397.931 4.285 40 0 GIABMO c1csc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5cccnc5)C4)nn3c2)c1 ZINC000306131356 206201518 /nfs/dbraw/zinc/20/15/18/206201518.db2.gz KCIMYUMNILFKAU-SFHVURJKSA-N 1 1 375.501 4.232 40 0 GIABMO c1cc(C[N@@H+]2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)cs1 ZINC000096242543 136185497 /nfs/dbraw/zinc/18/54/97/136185497.db2.gz BGMSIENKQPTYSD-UHFFFAOYSA-N 1 1 376.529 4.092 40 0 GIABMO c1cc(C[N@H+]2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)cs1 ZINC000096242543 136185498 /nfs/dbraw/zinc/18/54/98/136185498.db2.gz BGMSIENKQPTYSD-UHFFFAOYSA-N 1 1 376.529 4.092 40 0 GIABMO O=C(c1ccc(Br)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000408606496 534692271 /nfs/dbraw/zinc/69/22/71/534692271.db2.gz IDVYAFIRTKSLLG-UHFFFAOYSA-N 1 1 399.332 4.112 40 0 GIABMO O=c1ccc(-c2cccnc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc3ccccc3o2)C1 ZINC000003841908 560190271 /nfs/dbraw/zinc/19/02/71/560190271.db2.gz LLMVFXHUTKEGJW-FXAWDEMLSA-N 1 1 397.478 4.276 40 0 biogenic,in-vitro GIABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764684 570217407 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205340554 /nfs/dbraw/zinc/34/05/54/205340554.db2.gz SWWYWEPPNYBDDV-SFHVURJKSA-N 1 1 394.494 4.227 40 0 GIABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(Cl)c(Cl)c4)C[C@H]32)nc1 ZINC000072392558 205342205 /nfs/dbraw/zinc/34/22/05/205342205.db2.gz HKVKKSHUIWVCMT-YRNRMSPPSA-N 1 1 377.315 4.426 40 0 GIABMO COc1ccc(C(C)(C)C)cc1C[N@@H+]1C[C@H]2[C@H](CC[C@]2(O)c2ncccc2C)C1 ZINC000072395306 205342804 /nfs/dbraw/zinc/34/28/04/205342804.db2.gz LPCSOXLAHLLKQS-DHTSOJEISA-N 1 1 394.559 4.426 40 0 GIABMO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2cccc(Cl)c2)on1 ZINC000072395073 205344146 /nfs/dbraw/zinc/34/41/46/205344146.db2.gz NZYIJYMUJBQWOE-DENIHFKCSA-N 1 1 397.906 4.291 40 0 GIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)cc2)C1 ZINC000225050411 206034106 /nfs/dbraw/zinc/03/41/06/206034106.db2.gz OQJZRGGPFNLVOM-HNNXBMFYSA-N 1 1 395.528 4.084 40 0 GIABMO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225727624 206070335 /nfs/dbraw/zinc/07/03/35/206070335.db2.gz NRFFGURMNBAPNY-SFHVURJKSA-N 1 1 376.541 4.474 40 0 GIABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225595098 206060000 /nfs/dbraw/zinc/06/00/00/206060000.db2.gz VACHYZMLNOOPCQ-OAHLLOKOSA-N 1 1 397.357 4.442 40 0 GIABMO CC(C)Oc1cccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000225743902 206072968 /nfs/dbraw/zinc/07/29/68/206072968.db2.gz AXTUXACIFLGUSE-UHFFFAOYSA-N 1 1 383.561 4.209 40 0 GIABMO COc1cccc2c1OC1(CC[NH+](Cc3ncccc3F)CC1)[C@H]1CCCO[C@H]21 ZINC000257222209 206160364 /nfs/dbraw/zinc/16/03/64/206160364.db2.gz DSJRZWUZJBZXDL-LAUBAEHRSA-N 1 1 398.478 4.124 40 0 GIABMO COc1cc(C)ccc1C[N@H+]1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257287746 206173182 /nfs/dbraw/zinc/17/31/82/206173182.db2.gz PRIBYCZFXXYION-SFHVURJKSA-N 1 1 389.503 4.312 40 0 GIABMO CC(C)Oc1cccc(CNc2cc(-c3c[nH]nc3[C@H]3CC[N@@H+](C)C3)ccn2)c1 ZINC000257306321 206176660 /nfs/dbraw/zinc/17/66/60/206176660.db2.gz STUQPOSWGLWSHB-IBGZPJMESA-N 1 1 391.519 4.290 40 0 GIABMO CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)n[nH]1 ZINC000257243223 206167061 /nfs/dbraw/zinc/16/70/61/206167061.db2.gz IFYCBJPWHRDLHX-GMAHTHKFSA-N 1 1 396.535 4.002 40 0 GIABMO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257259283 206167959 /nfs/dbraw/zinc/16/79/59/206167959.db2.gz KXQLNWKFKGJCFI-AVRDEDQJSA-N 1 1 383.561 4.131 40 0 GIABMO Cc1c(C[NH+]2CCC(c3cc(Nc4cccc(C)n4)cc(C)n3)CC2)cnn1C ZINC000257256934 206168724 /nfs/dbraw/zinc/16/87/24/206168724.db2.gz KNLOVSWSTZTTMI-UHFFFAOYSA-N 1 1 390.535 4.259 40 0 GIABMO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)co1 ZINC000306143338 206207083 /nfs/dbraw/zinc/20/70/83/206207083.db2.gz XZQAOPJZSMIDTF-HXUWFJFHSA-N 1 1 387.487 4.314 40 0 GIABMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306144196 206207428 /nfs/dbraw/zinc/20/74/28/206207428.db2.gz YYULCQLXAPOMMB-HXUWFJFHSA-N 1 1 387.462 4.310 40 0 GIABMO O=C1N(CC2CCC2)CC[C@]12C[N@@H+](CC1CCCCC1)C[C@@H]2c1nccs1 ZINC000306126721 206196433 /nfs/dbraw/zinc/19/64/33/206196433.db2.gz FDGVIMMZGCUODC-DENIHFKCSA-N 1 1 387.593 4.141 40 0 GIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccco5)C4)nn3c2)c1 ZINC000306126696 206196791 /nfs/dbraw/zinc/19/67/91/206196791.db2.gz FCLXPJWTBGDZTN-IBGZPJMESA-N 1 1 388.471 4.378 40 0 GIABMO c1nc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCO3)c2ccc(-c3cccnc3)cn12 ZINC000306128532 206198732 /nfs/dbraw/zinc/19/87/32/206198732.db2.gz HCYUPPBNCDHWTR-HXUWFJFHSA-N 1 1 398.466 4.462 40 0 GIABMO c1nc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCO3)c2ccc(-c3cccnc3)cn12 ZINC000306128532 206198735 /nfs/dbraw/zinc/19/87/35/206198735.db2.gz HCYUPPBNCDHWTR-HXUWFJFHSA-N 1 1 398.466 4.462 40 0 GIABMO c1[nH+]c([C@H]2CCCN2Cc2ccc3c(c2)OCO3)c2ccc(-c3cccnc3)cn12 ZINC000306128532 206198741 /nfs/dbraw/zinc/19/87/41/206198741.db2.gz HCYUPPBNCDHWTR-HXUWFJFHSA-N 1 1 398.466 4.462 40 0 GIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](CC5CC5)C4)nn3c2)c1OC ZINC000306129411 206199346 /nfs/dbraw/zinc/19/93/46/206199346.db2.gz ICFBBGXGEFOIKR-GOSISDBHSA-N 1 1 392.503 4.003 40 0 GIABMO Clc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306129530 206199426 /nfs/dbraw/zinc/19/94/26/206199426.db2.gz IGDOXSAZJOKTPI-GOSISDBHSA-N 1 1 395.938 4.363 40 0 GIABMO Cc1cccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)c1 ZINC000306128178 206199570 /nfs/dbraw/zinc/19/95/70/206199570.db2.gz GTHFBAYOYFTYEF-QHCPKHFHSA-N 1 1 377.463 4.173 40 0 GIABMO Cc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306129570 206200106 /nfs/dbraw/zinc/20/01/06/206200106.db2.gz IHCPDSURUBLFDO-FXAWDEMLSA-N 1 1 385.510 4.072 40 0 GIABMO Cc1ccc(C[N@H+]2C[C@H]3c4cc(-c5ccco5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306129570 206200107 /nfs/dbraw/zinc/20/01/07/206200107.db2.gz IHCPDSURUBLFDO-FXAWDEMLSA-N 1 1 385.510 4.072 40 0 GIABMO O=C1CC[C@@]2(c3ccccc3)CC[N@@H+](CCc3ccccc3)[C@@H]2CN1CC1CC1 ZINC000306133355 206201143 /nfs/dbraw/zinc/20/11/43/206201143.db2.gz MJGVWLOSQSUSOC-RSXGOPAZSA-N 1 1 388.555 4.274 40 0 GIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccccn5)C4)nn3c2)c1 ZINC000306135612 206202659 /nfs/dbraw/zinc/20/26/59/206202659.db2.gz OVYAOUSKNKUVGZ-FQEVSTJZSA-N 1 1 399.498 4.180 40 0 GIABMO CCCCCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000015080394 221332794 /nfs/dbraw/zinc/33/27/94/221332794.db2.gz QPMCHOOYPAUDMX-JQVVWYNYSA-N 1 1 396.531 4.176 40 0 GIABMO COc1cc2c(cc1OC)CN(c1cc(NC3CCCCC3)nc(C)[nH+]1)CC2 ZINC000244530600 136192562 /nfs/dbraw/zinc/19/25/62/136192562.db2.gz ZSVIMMXJAAFVLC-UHFFFAOYSA-N 1 1 382.508 4.110 40 0 GIABMO CC(C)(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514289942 560030979 /nfs/dbraw/zinc/03/09/79/560030979.db2.gz PDLXMQKBCOTEFF-AWRGLXIESA-N 1 1 386.580 4.296 40 0 biogenic,in-vitro GIABMO FC(F)(F)c1ccc(C[NH2+]C2(Cc3cc(-c4ccccc4)on3)COC2)cc1 ZINC000067898031 560049997 /nfs/dbraw/zinc/04/99/97/560049997.db2.gz WLXNZBQFIMFRKU-UHFFFAOYSA-N 1 1 388.389 4.462 40 0 biogenic,in-vitro GIABMO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cnc4ccccc4c3)n2)nc1 ZINC000049155346 560083907 /nfs/dbraw/zinc/08/39/07/560083907.db2.gz RRVVEXLEWDDAPV-IBGZPJMESA-N 1 1 375.407 4.156 40 0 biogenic,in-vitro GIABMO Fc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cnc4ccccc4c3)n2)nc1 ZINC000049155346 560083908 /nfs/dbraw/zinc/08/39/08/560083908.db2.gz RRVVEXLEWDDAPV-IBGZPJMESA-N 1 1 375.407 4.156 40 0 biogenic,in-vitro GIABMO CC(C)c1nc(N2Cc3ccccc3CC2(C)C)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328971248 570210126 /nfs/dbraw/zinc/21/01/26/570210126.db2.gz DOTDMSWUBMIKBM-LJQANCHMSA-N 1 1 382.552 4.370 40 0 GIABMO CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000328971248 570210127 /nfs/dbraw/zinc/21/01/27/570210127.db2.gz DOTDMSWUBMIKBM-LJQANCHMSA-N 1 1 382.552 4.370 40 0 GIABMO Cc1nc(NC2CCCC2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000328973158 570210172 /nfs/dbraw/zinc/21/01/72/570210172.db2.gz DZNRZAWZRJXXMY-UHFFFAOYSA-N 1 1 387.325 4.465 40 0 GIABMO CCc1cccc(NC(=O)N2CCc3c(C[NH+]4CCCC4)nn(C(C)C)c3C2)c1 ZINC000096084240 570210345 /nfs/dbraw/zinc/21/03/45/570210345.db2.gz XOYLUKNKSGNXBC-UHFFFAOYSA-N 1 1 395.551 4.212 40 0 GIABMO CC(C)[C@@H](CO)Nc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000329039769 570214374 /nfs/dbraw/zinc/21/43/74/570214374.db2.gz RZWYPWGPGSHRKP-LJQANCHMSA-N 1 1 380.536 4.081 40 0 GIABMO CC(C)[C@@H](CO)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C2CC2)n1 ZINC000329039769 570214377 /nfs/dbraw/zinc/21/43/77/570214377.db2.gz RZWYPWGPGSHRKP-LJQANCHMSA-N 1 1 380.536 4.081 40 0 GIABMO Brc1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]c(C3CC3)n1)C2 ZINC000329044251 570214834 /nfs/dbraw/zinc/21/48/34/570214834.db2.gz SVRHEYQCTBEKCF-UHFFFAOYSA-N 1 1 385.309 4.254 40 0 GIABMO Brc1ccc2c(c1)CCN(c1cc(NC3CC3)nc(C3CC3)[nH+]1)C2 ZINC000329044251 570214837 /nfs/dbraw/zinc/21/48/37/570214837.db2.gz SVRHEYQCTBEKCF-UHFFFAOYSA-N 1 1 385.309 4.254 40 0 GIABMO CC[C@@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C2CC2)[nH+]1 ZINC000329050611 570215301 /nfs/dbraw/zinc/21/53/01/570215301.db2.gz UTRQAQLKPFUOCD-CQSZACIVSA-N 1 1 382.508 4.144 40 0 GIABMO CC[C@@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)[nH+]c(C2CC2)n1 ZINC000329050611 570215304 /nfs/dbraw/zinc/21/53/04/570215304.db2.gz UTRQAQLKPFUOCD-CQSZACIVSA-N 1 1 382.508 4.144 40 0 GIABMO O=C(CCc1cccnc1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC000096214586 570219473 /nfs/dbraw/zinc/21/94/73/570219473.db2.gz IHCMLMJMMFJIGW-QHCPKHFHSA-N 1 1 397.950 4.325 40 0 GIABMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)NC4CCCCC4)C3)C2)c1 ZINC000096215702 570219617 /nfs/dbraw/zinc/21/96/17/570219617.db2.gz PHPWCYZUMYYRTL-QHCPKHFHSA-N 1 1 385.552 4.025 40 0 GIABMO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020051000 570237962 /nfs/dbraw/zinc/23/79/62/570237962.db2.gz VXDSWPBMYOSSBZ-HXUWFJFHSA-N 1 1 383.879 4.308 40 0 GIABMO CC(C)(C)[C@H]1CC[C@H]([N@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585288240 570258979 /nfs/dbraw/zinc/25/89/79/570258979.db2.gz ZBAPCSCHHPKZJX-SFGWALBWSA-N 1 1 395.971 4.387 40 0 GIABMO CCOC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020484386 570262174 /nfs/dbraw/zinc/26/21/74/570262174.db2.gz APWHMPVXVCKXSC-KRWDZBQOSA-N 1 1 380.488 4.348 40 0 GIABMO CO[C@H]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@H+]3C)CC1 ZINC000100749476 570276568 /nfs/dbraw/zinc/27/65/68/570276568.db2.gz OERNFMXZHGIVTM-BFRACDOUSA-N 1 1 384.564 4.061 40 0 GIABMO Clc1ccc2oc(-c3ccccc3)cc(=NCCC[NH+]3CCOCC3)c2c1 ZINC000001916719 570298254 /nfs/dbraw/zinc/29/82/54/570298254.db2.gz ZLEGKVYSTRWXKB-UHFFFAOYSA-N 1 1 382.891 4.376 40 0 GIABMO Cc1[nH+]c(N2CCOCC2)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219655 570318122 /nfs/dbraw/zinc/31/81/22/570318122.db2.gz KDPAIVUEDGTAAK-NRFANRHFSA-N 1 1 395.503 4.090 40 0 GIABMO O[C@@H](CCC[N@@H+]1CCN2CCc3[nH]c4ccccc4c3[C@@H]2C1)c1ccc(F)cc1 ZINC000022858947 570331331 /nfs/dbraw/zinc/33/13/31/570331331.db2.gz GGLXFWQANMJCNR-GOTSBHOMSA-N 1 1 393.506 4.036 40 0 GIABMO O[C@@H](CCC[N@H+]1CCN2CCc3[nH]c4ccccc4c3[C@@H]2C1)c1ccc(F)cc1 ZINC000022858947 570331333 /nfs/dbraw/zinc/33/13/33/570331333.db2.gz 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COc1ccccc1CNc1[nH]nc2nc([C@H]3CCC[N@H+](CC(C)C)C3)ccc21 ZINC000019742735 570212868 /nfs/dbraw/zinc/21/28/68/570212868.db2.gz MJANREYDKZXCGW-SFHVURJKSA-N 1 1 393.535 4.414 40 0 GIABMO COc1ccccc1CNc1[nH]nc2nc([C@H]3CCC[N@@H+](CC(C)C)C3)ccc21 ZINC000019742735 570212870 /nfs/dbraw/zinc/21/28/70/570212870.db2.gz MJANREYDKZXCGW-SFHVURJKSA-N 1 1 393.535 4.414 40 0 GIABMO CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000329068286 570216494 /nfs/dbraw/zinc/21/64/94/570216494.db2.gz YOMNSMMNCSRLFH-UHFFFAOYSA-N 1 1 378.398 4.247 40 0 GIABMO O=C(CCc1cccnc1)N1CCC[C@@]2(CCC[N@H+]2CCCc2ccccc2)C1 ZINC000096214580 570219513 /nfs/dbraw/zinc/21/95/13/570219513.db2.gz PTWJRUAZZWEHQJ-RUZDIDTESA-N 1 1 391.559 4.104 40 0 GIABMO Cc1cccc(NC(=O)N2CCO[C@H](c3[nH+]cn4c3cccc4C3CC3)C2)c1 ZINC000096267330 570227230 /nfs/dbraw/zinc/22/72/30/570227230.db2.gz WGOXDFIDCFPTHP-FQEVSTJZSA-N 1 1 376.460 4.126 40 0 GIABMO c1ccc(Nc2cccc(C3CC[NH+](Cc4nc5ccccc5[nH]4)CC3)n2)nc1 ZINC000585263367 570231780 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CO[C@]1(COc2ccc(C)cc2)CCC[N@@H+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000257211783 570487122 /nfs/dbraw/zinc/48/71/22/570487122.db2.gz CAIYKEOCTMWKIA-HSZRJFAPSA-N 1 1 379.504 4.321 40 0 GIABMO COc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCCCC4)cc3)sc2c1 ZINC000001083933 570537191 /nfs/dbraw/zinc/53/71/91/570537191.db2.gz DRZKPLJFBNKIRZ-UHFFFAOYSA-N 1 1 381.501 4.396 40 0 GIABMO O=C1CCCN1C[C@H]1CCC[N@H+](CC2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000012364535 570646754 /nfs/dbraw/zinc/64/67/54/570646754.db2.gz VMKSBSDSFDTNRG-HNNXBMFYSA-N 1 1 381.347 4.359 40 0 GIABMO Cc1ncc(C[N@H+]2[C@@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012408038 570654930 /nfs/dbraw/zinc/65/49/30/570654930.db2.gz NCTYQIORPXTQPL-KVSKMBFKSA-N 1 1 377.410 4.236 40 0 GIABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCC[C@H](C)C3)cc2)CCCC1 ZINC000260816890 570708502 /nfs/dbraw/zinc/70/85/02/570708502.db2.gz RREPQCCBYSDEPQ-IBGZPJMESA-N 1 1 388.552 4.475 40 0 GIABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000260836399 570709587 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COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000019446664 570984531 /nfs/dbraw/zinc/98/45/31/570984531.db2.gz ZKHZGQPOXIOMLL-HYBUGGRVSA-N 1 1 395.547 4.206 40 0 GIABMO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019446662 570984607 /nfs/dbraw/zinc/98/46/07/570984607.db2.gz WXOUJDFYQJEDSB-WMZHIEFXSA-N 1 1 383.511 4.336 40 0 GIABMO COc1cc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)cc(OC)c1OC ZINC000019549920 571000295 /nfs/dbraw/zinc/00/02/95/571000295.db2.gz IQGCGZOEFBMOJB-HNNXBMFYSA-N 1 1 390.530 4.304 40 0 GIABMO COc1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3[N@H+]2Cc2cccc(OC)c2)cc1 ZINC000019558906 571004412 /nfs/dbraw/zinc/00/44/12/571004412.db2.gz TUGXIERRCDJQCM-PGRDOPGGSA-N 1 1 375.472 4.151 40 0 GIABMO Cc1ncsc1-c1nnc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)o1 ZINC000019562777 571006320 /nfs/dbraw/zinc/00/63/20/571006320.db2.gz VHYWWSZHEMKWPG-QGZVFWFLSA-N 1 1 391.500 4.429 40 0 GIABMO Cc1c(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cnn1C ZINC000019690887 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CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019446657 207121388 /nfs/dbraw/zinc/12/13/88/207121388.db2.gz WXOUJDFYQJEDSB-XXBNENTESA-N 1 1 383.511 4.336 40 0 GIABMO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@H+](Cc4ccccn4)C3)c(=O)c2c1C ZINC000019561163 207134977 /nfs/dbraw/zinc/13/49/77/207134977.db2.gz DWVUJEFPGJTZQF-SFHVURJKSA-N 1 1 396.560 4.430 40 0 GIABMO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@@H+](Cc4ccccn4)C3)c(=O)c2c1C ZINC000019561163 207134981 /nfs/dbraw/zinc/13/49/81/207134981.db2.gz DWVUJEFPGJTZQF-SFHVURJKSA-N 1 1 396.560 4.430 40 0 GIABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)[nH]n2)cc1F ZINC000019703651 207149848 /nfs/dbraw/zinc/14/98/48/207149848.db2.gz UZUXRUQHLLJDQR-NRFANRHFSA-N 1 1 384.430 4.042 40 0 GIABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)[nH]n2)cc1F ZINC000019703651 207149852 /nfs/dbraw/zinc/14/98/52/207149852.db2.gz UZUXRUQHLLJDQR-NRFANRHFSA-N 1 1 384.430 4.042 40 0 GIABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCCc1ccccn1 ZINC000019590179 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377.410 4.074 40 0 GIABMO CC(=O)NCc1cnc([C@H]2CCC[N@H+]2Cc2ccccc2)cc1C(F)(F)F ZINC000072355976 208000806 /nfs/dbraw/zinc/00/08/06/208000806.db2.gz GWYNSNJTGRNUNA-LJQANCHMSA-N 1 1 377.410 4.074 40 0 GIABMO Cc1cnc(-c2nnc([C@H]3CCC[N@H+](Cc4ccc(C(C)C)cc4)C3)o2)cn1 ZINC000072390062 208013093 /nfs/dbraw/zinc/01/30/93/208013093.db2.gz WFJAFDMPLHMUOC-IBGZPJMESA-N 1 1 377.492 4.338 40 0 GIABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+](Cc4ccncc4C)C3)cc2n1 ZINC000072397145 208013886 /nfs/dbraw/zinc/01/38/86/208013886.db2.gz WKOGRIRKJPVJOI-MRXNPFEDSA-N 1 1 389.425 4.140 40 0 GIABMO Cc1cc(C[NH+]2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)no1 ZINC000096155762 208279393 /nfs/dbraw/zinc/27/93/93/208279393.db2.gz YRYWUYCQUXSLQH-UHFFFAOYSA-N 1 1 391.450 4.211 40 0 GIABMO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096627690 208320345 /nfs/dbraw/zinc/32/03/45/208320345.db2.gz AKNDRVPOKBLPFB-KRWDZBQOSA-N 1 1 394.412 4.373 40 0 GIABMO CO[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@H+]3C)CC1 ZINC000100745870 208380988 /nfs/dbraw/zinc/38/09/88/208380988.db2.gz RAPDYNHTPZMWJN-PFDCGNQRSA-N 1 1 384.564 4.061 40 0 GIABMO O=C(c1ccsc1)N1C[C@]2(CC[N@@H+](Cc3ccsc3)C2)c2ncccc21 ZINC000306138134 209104928 /nfs/dbraw/zinc/10/49/28/209104928.db2.gz RPZRQRJTAJJQKA-HXUWFJFHSA-N 1 1 381.526 4.009 40 0 GIABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135817 209104004 /nfs/dbraw/zinc/10/40/04/209104004.db2.gz PBWYXVGEWYJISM-JOCHJYFZSA-N 1 1 383.499 4.479 40 0 GIABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)s1 ZINC000306133141 209101830 /nfs/dbraw/zinc/10/18/30/209101830.db2.gz MDEKIGIBODGDQE-NRFANRHFSA-N 1 1 383.492 4.234 40 0 GIABMO O=C(c1ccsc1)N1C[C@]2(CC[N@@H+](Cc3cccs3)C2)c2ncccc21 ZINC000306128422 209100496 /nfs/dbraw/zinc/10/04/96/209100496.db2.gz GZVQCSLJLJLTOV-HXUWFJFHSA-N 1 1 381.526 4.009 40 0 GIABMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)s1 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Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000072392521 222248173 /nfs/dbraw/zinc/24/81/73/222248173.db2.gz WUCUNUIXRBYQCY-YRNRMSPPSA-N 1 1 377.315 4.426 40 0 GIABMO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@H+](CC(C)C)C3)on2)cc1 ZINC000072395928 222250534 /nfs/dbraw/zinc/25/05/34/222250534.db2.gz OWYVEDDWXQWMQC-HSZRJFAPSA-N 1 1 383.536 4.019 40 0 GIABMO COc1ccc2cc(CNc3ccc([N@@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000072396142 537035182 /nfs/dbraw/zinc/03/51/82/537035182.db2.gz XDJLUORGHYUGLT-MRXNPFEDSA-N 1 1 377.488 4.385 40 0 GIABMO COc1ccc2cc(CNc3ccc([N@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000072396142 537035184 /nfs/dbraw/zinc/03/51/84/537035184.db2.gz XDJLUORGHYUGLT-MRXNPFEDSA-N 1 1 377.488 4.385 40 0 GIABMO COc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4cnc5ccccc5c4)C3)o2)cc1 ZINC000049170088 560084128 /nfs/dbraw/zinc/08/41/28/560084128.db2.gz CLJXOTPNIWPITJ-IBGZPJMESA-N 1 1 386.455 4.283 40 0 biogenic,in-vitro GIABMO 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Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSCc2ccccc2C)cc1 ZINC000038853069 570588310 /nfs/dbraw/zinc/58/83/10/570588310.db2.gz ITWVPLKUHIQCGP-UHFFFAOYSA-N 1 1 379.529 4.211 40 0 GIABMO CCO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225723639 570609279 /nfs/dbraw/zinc/60/92/79/570609279.db2.gz DQENGGJDUZDQRN-IXFSTUDKSA-N 1 1 388.552 4.187 40 0 GIABMO O=S(=O)(N[C@H]1CCCC[C@@H]1[N@@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000006809570 570611871 /nfs/dbraw/zinc/61/18/71/570611871.db2.gz YXNCAHYSIWBSOO-GOTSBHOMSA-N 1 1 396.556 4.065 40 0 GIABMO O[C@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc(Cl)c(Cl)c1 ZINC000012292333 570633274 /nfs/dbraw/zinc/63/32/74/570633274.db2.gz IBIKAIXVESKYGX-GOSISDBHSA-N 1 1 384.278 4.150 40 0 GIABMO CCOc1ccc(CCCNC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044851493 570636276 /nfs/dbraw/zinc/63/62/76/570636276.db2.gz KSPHZUKTFCDYHQ-UHFFFAOYSA-N 1 1 377.488 4.001 40 0 GIABMO O=C(NCCCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044906473 570641961 /nfs/dbraw/zinc/64/19/61/570641961.db2.gz BQSDCLTZGGACHC-LJQANCHMSA-N 1 1 388.914 4.440 40 0 GIABMO CC1(C)C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000044918286 570643344 /nfs/dbraw/zinc/64/33/44/570643344.db2.gz BFGXPLDWHHYHQE-WIYYLYMNSA-N 1 1 396.506 4.456 40 0 GIABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000012365837 570646526 /nfs/dbraw/zinc/64/65/26/570646526.db2.gz HSQJPNPEKMMZCD-UYAOXDASSA-N 1 1 398.576 4.302 40 0 GIABMO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816716 570707207 /nfs/dbraw/zinc/70/72/07/570707207.db2.gz NRFFGURMNBAPNY-GOSISDBHSA-N 1 1 376.541 4.474 40 0 GIABMO CCO[C@](C)(C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260814601 570707937 /nfs/dbraw/zinc/70/79/37/570707937.db2.gz LGMVHJPGLDJGPJ-JPYJTQIMSA-N 1 1 388.552 4.474 40 0 GIABMO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816894 570708532 /nfs/dbraw/zinc/70/85/32/570708532.db2.gz RRLNRSHAVANTEW-GCJKJVERSA-N 1 1 376.541 4.330 40 0 GIABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013613675 570762858 /nfs/dbraw/zinc/76/28/58/570762858.db2.gz ONCQWUVHKKALEN-HNNXBMFYSA-N 1 1 393.380 4.067 40 0 GIABMO COc1ccc(CC[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)cc1OC ZINC000013989460 570868165 /nfs/dbraw/zinc/86/81/65/570868165.db2.gz LXGKPNSMEBUAMD-UHFFFAOYSA-N 1 1 380.463 4.483 40 0 GIABMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1)NC1CCCCC1 ZINC000072357691 570881396 /nfs/dbraw/zinc/88/13/96/570881396.db2.gz MBHVNFKSCKRBST-QHCPKHFHSA-N 1 1 377.532 4.258 40 0 GIABMO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1)NC1CCCCC1 ZINC000072357691 570881400 /nfs/dbraw/zinc/88/14/00/570881400.db2.gz MBHVNFKSCKRBST-QHCPKHFHSA-N 1 1 377.532 4.258 40 0 GIABMO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2C)cc1 ZINC000257367416 570915182 /nfs/dbraw/zinc/91/51/82/570915182.db2.gz OBTLZZMYKIUSHR-USVYMFKHSA-N 1 1 381.520 4.240 40 0 GIABMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)cc1 ZINC000585099839 570925877 /nfs/dbraw/zinc/92/58/77/570925877.db2.gz GJLMEKIAPBEFDX-UPVQGACJSA-N 1 1 384.564 4.336 40 0 GIABMO O[C@@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@@H+](Cc1cccc(F)c1)CC2 ZINC000004301877 570971344 /nfs/dbraw/zinc/97/13/44/570971344.db2.gz ORZUIMGMXAQGPX-WTIAFYNJSA-N 1 1 383.463 4.423 40 0 GIABMO CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C)n1 ZINC000329069114 206243710 /nfs/dbraw/zinc/24/37/10/206243710.db2.gz YVIJRUAKCTZBEF-GFCCVEGCSA-N 1 1 380.414 4.457 40 0 GIABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329041230 206242331 /nfs/dbraw/zinc/24/23/31/206242331.db2.gz SGRHNGDHBSSHSV-IBGZPJMESA-N 1 1 382.552 4.327 40 0 GIABMO O=C(Nc1cnn(Cc2ccccc2F)c1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000035322710 206264059 /nfs/dbraw/zinc/26/40/59/206264059.db2.gz CYWRYDDWRQZQPC-JOCHJYFZSA-N 1 1 392.478 4.236 40 0 GIABMO COc1cc(C)ccc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019134039 207104694 /nfs/dbraw/zinc/10/46/94/207104694.db2.gz 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40 0 GIABMO CCn1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)c1C ZINC000257340949 209078551 /nfs/dbraw/zinc/07/85/51/209078551.db2.gz ZIFXZZWDSGRJAI-KRWDZBQOSA-N 1 1 396.564 4.495 40 0 GIABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072345959 222232829 /nfs/dbraw/zinc/23/28/29/222232829.db2.gz KKUVOENTSZDNIY-QGZVFWFLSA-N 1 1 379.895 4.154 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)cc1 ZINC000072345903 222233521 /nfs/dbraw/zinc/23/35/21/222233521.db2.gz TZRIAGSSDBEOEM-GOSISDBHSA-N 1 1 392.478 4.253 40 0 GIABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1)N1CCCCC1 ZINC000072348698 222235626 /nfs/dbraw/zinc/23/56/26/222235626.db2.gz QZMGIXWRZXCJMB-IBGZPJMESA-N 1 1 381.495 4.080 40 0 GIABMO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350547 222238131 /nfs/dbraw/zinc/23/81/31/222238131.db2.gz BBCSDRMLUBUTCC-FQEVSTJZSA-N 1 1 375.520 4.208 40 0 GIABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(Cl)cc4Cl)C[C@H]32)nc1 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/nfs/dbraw/zinc/21/70/65/570217065.db2.gz IWWBBHUDYMIEJE-NRFANRHFSA-N 1 1 378.520 4.138 40 0 GIABMO Cc1ccccc1OC[C@]1(O)COCC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C1 ZINC000585284887 570254223 /nfs/dbraw/zinc/25/42/23/570254223.db2.gz AMEUOGJLGCQYEC-TXTKFYIRSA-N 1 1 375.553 4.042 40 0 GIABMO Cc1cccc(OC[C@@]2(O)COCC[N@H+]([C@H]3CC[C@H](c4ccccc4)CC3)C2)c1 ZINC000585287790 570259004 /nfs/dbraw/zinc/25/90/04/570259004.db2.gz RUOMLCIQWFCIAF-LSQMVHIFSA-N 1 1 395.543 4.164 40 0 GIABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227329 570318883 /nfs/dbraw/zinc/31/88/83/570318883.db2.gz ZHVYVMWKQMDEFG-KGLIPLIRSA-N 1 1 386.076 4.171 40 0 GIABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Br)cc1 ZINC000072227792 570319289 /nfs/dbraw/zinc/31/92/89/570319289.db2.gz PTOCXHUOOLZTDU-ZIAGYGMSSA-N 1 1 386.076 4.171 40 0 GIABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227823 570319317 /nfs/dbraw/zinc/31/93/17/570319317.db2.gz VEVFCEWGFLLVMR-KBPBESRZSA-N 1 1 375.177 4.427 40 0 GIABMO CCN(CC)CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000022075196 570321194 /nfs/dbraw/zinc/32/11/94/570321194.db2.gz MWPDTZMEQPZMKJ-UHFFFAOYSA-N 1 1 376.928 4.359 40 0 GIABMO C[NH+]1CCN(C(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)CC1 ZINC000408572622 570336107 /nfs/dbraw/zinc/33/61/07/570336107.db2.gz HKRMLRVVQKSDHY-UHFFFAOYSA-N 1 1 395.355 4.495 40 0 GIABMO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000219237677 570350133 /nfs/dbraw/zinc/35/01/33/570350133.db2.gz JNUPAPYDKZPHKK-UYAOXDASSA-N 1 1 380.532 4.424 40 0 GIABMO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2OC)c1 ZINC000035289808 570455422 /nfs/dbraw/zinc/45/54/22/570455422.db2.gz AJBGLZVZKVIXCU-SEJPIABJSA-N 1 1 394.515 4.019 40 0 GIABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)CC1 ZINC000224341818 570509750 /nfs/dbraw/zinc/50/97/50/570509750.db2.gz HWCQRFOZVGFECZ-UHFFFAOYSA-N 1 1 384.545 4.074 40 0 GIABMO COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)c1O ZINC000035361736 570551987 /nfs/dbraw/zinc/55/19/87/570551987.db2.gz LDJUMRJNYFZQRI-ZQQNNKCXSA-N 1 1 397.471 4.102 40 0 GIABMO C[C@H]1C[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C(C)(C)C)C[C@H](C)O1 ZINC000035354140 570552153 /nfs/dbraw/zinc/55/21/53/570552153.db2.gz PIGXXTGSOQVEQT-LNLFQRSKSA-N 1 1 377.569 4.131 40 0 GIABMO COc1ccc2c(c1)C=C(C[N@@H+](CCCn1ccnc1)Cc1ccc(C)o1)CO2 ZINC000036740268 570568473 /nfs/dbraw/zinc/56/84/73/570568473.db2.gz LWCBRKDXODCAKR-UHFFFAOYSA-N 1 1 393.487 4.161 40 0 GIABMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C ZINC000036741250 570569119 /nfs/dbraw/zinc/56/91/19/570569119.db2.gz YYKYFVVGULHFSQ-JOCHJYFZSA-N 1 1 380.532 4.177 40 0 GIABMO COc1ccc(NC(=S)NCc2ccccc2-n2cc[nH+]c2C)cc1Cl ZINC000225449731 570575355 /nfs/dbraw/zinc/57/53/55/570575355.db2.gz SMUGTWHNHYJGJP-UHFFFAOYSA-N 1 1 386.908 4.329 40 0 GIABMO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038772512 570583103 /nfs/dbraw/zinc/58/31/03/570583103.db2.gz LWNWHRRZQQDFER-MRXNPFEDSA-N 1 1 380.488 4.266 40 0 GIABMO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225612206 570593719 /nfs/dbraw/zinc/59/37/19/570593719.db2.gz KCPIHDVEVSANOG-GCJKJVERSA-N 1 1 376.541 4.331 40 0 GIABMO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225611602 570593758 /nfs/dbraw/zinc/59/37/58/570593758.db2.gz KFEQPNZZPGPXTK-KGVIQGDOSA-N 1 1 376.541 4.187 40 0 GIABMO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225730379 570610145 /nfs/dbraw/zinc/61/01/45/570610145.db2.gz WLHJDKTUBYZWRR-XMSQKQJNSA-N 1 1 376.541 4.331 40 0 GIABMO COc1ccc(C[N@H+](Cc2c[nH]c3ccccc23)C[C@@H]2CCCO2)cc1OC ZINC000012187292 570621461 /nfs/dbraw/zinc/62/14/61/570621461.db2.gz XELIEWXHXOQVKU-IBGZPJMESA-N 1 1 380.488 4.366 40 0 GIABMO Cn1cnc2cc(C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)ccc21 ZINC000225891586 570631244 /nfs/dbraw/zinc/63/12/44/570631244.db2.gz RLZZWRUYPJWLCT-UHFFFAOYSA-N 1 1 393.878 4.007 40 0 GIABMO CC(C)Oc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044882598 570638473 /nfs/dbraw/zinc/63/84/73/570638473.db2.gz KDCAHZJQWDARMP-HXUWFJFHSA-N 1 1 384.495 4.141 40 0 GIABMO O=C(NCCCc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044906245 570641578 /nfs/dbraw/zinc/64/15/78/570641578.db2.gz UNSIRBFAJMSMCW-LJQANCHMSA-N 1 1 388.914 4.440 40 0 GIABMO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044912071 570642962 /nfs/dbraw/zinc/64/29/62/570642962.db2.gz QPCOKDIFLWXLTD-LJQANCHMSA-N 1 1 398.478 4.162 40 0 GIABMO CCCSc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cn1 ZINC000012345457 570645796 /nfs/dbraw/zinc/64/57/96/570645796.db2.gz XANIGEJOFZQHIO-VSOVRNOCSA-N 1 1 399.560 4.002 40 0 GIABMO CCCSc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cn1 ZINC000012345457 570645801 /nfs/dbraw/zinc/64/58/01/570645801.db2.gz XANIGEJOFZQHIO-VSOVRNOCSA-N 1 1 399.560 4.002 40 0 GIABMO CO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260816735 570707888 /nfs/dbraw/zinc/70/78/88/570707888.db2.gz PBHMGWBUHIJJRX-YCRNBWNJSA-N 1 1 388.552 4.331 40 0 GIABMO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)ncn1 ZINC000257230566 570764970 /nfs/dbraw/zinc/76/49/70/570764970.db2.gz GCWRCIVOAYAAMF-QGZVFWFLSA-N 1 1 387.487 4.294 40 0 GIABMO CC(C)(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257231533 570765487 /nfs/dbraw/zinc/76/54/87/570765487.db2.gz GHDWYRIXIHZUDV-LJQANCHMSA-N 1 1 377.916 4.104 40 0 GIABMO CC(C)(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257231533 570765488 /nfs/dbraw/zinc/76/54/88/570765488.db2.gz GHDWYRIXIHZUDV-LJQANCHMSA-N 1 1 377.916 4.104 40 0 GIABMO COc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc3c(cc2C)OCO3)cc1 ZINC000013991148 570868470 /nfs/dbraw/zinc/86/84/70/570868470.db2.gz CDKUUIMEGRHNQP-UHFFFAOYSA-N 1 1 393.487 4.021 40 0 GIABMO CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000005082111 570897772 /nfs/dbraw/zinc/89/77/72/570897772.db2.gz HXVWWPSVYMTSQW-LJQANCHMSA-N 1 1 385.504 4.273 40 0 GIABMO O=C(c1cccs1)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@]1(O)c1cccs1 ZINC000004399349 570910697 /nfs/dbraw/zinc/91/06/97/570910697.db2.gz CSELUCAFPBCIKL-UTKZUKDTSA-N 1 1 383.538 4.402 40 0 GIABMO O=C(c1cccs1)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@]1(O)c1cccs1 ZINC000004399349 570910700 /nfs/dbraw/zinc/91/07/00/570910700.db2.gz CSELUCAFPBCIKL-UTKZUKDTSA-N 1 1 383.538 4.402 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC000585100272 570924097 /nfs/dbraw/zinc/92/40/97/570924097.db2.gz JFPXLCRDKZOTKW-XMMPIXPASA-N 1 1 378.516 4.243 40 0 GIABMO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCC[N@H+]2C[C@H]2CCCO2)CC1 ZINC000585100544 570924593 /nfs/dbraw/zinc/92/45/93/570924593.db2.gz NBHTZBSYGPQDMD-UTKZUKDTSA-N 1 1 394.918 4.119 40 0 GIABMO Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]3C2)c1 ZINC000585107848 570939716 /nfs/dbraw/zinc/93/97/16/570939716.db2.gz RZRPNXJECOPAAP-WWNPGLIZSA-N 1 1 377.532 4.071 40 0 GIABMO Cc1noc(C)c1CCC(=O)Nc1ccc(CC[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000012144914 818143930 /nfs/dbraw/zinc/14/39/30/818143930.db2.gz GXMKKOPDYDOBIS-UZLBHIALSA-N 1 1 383.536 4.383 40 0 GIABMO C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)C1 ZINC000012291549 818153010 /nfs/dbraw/zinc/15/30/10/818153010.db2.gz MVOVWXSJTIPYQX-GAJHUEQPSA-N 1 1 396.506 4.184 40 0 GIABMO O=C(N1CCC([N@H+]2CCc3ccccc3C2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000408613741 231081114 /nfs/dbraw/zinc/08/11/14/231081114.db2.gz ZWIVNUGKAFDUMR-UHFFFAOYSA-N 1 1 378.560 4.252 40 0 GIABMO Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)cc2ccccc21 ZINC000257198543 206287922 /nfs/dbraw/zinc/28/79/22/206287922.db2.gz BZWKNVPOTFOSOP-MNHFLQJXSA-N 1 1 389.543 4.214 40 0 GIABMO Cc1cc2nc([C@@H]3CCCN3C(=O)CCn3cc[nH+]c3C(C)C)[nH]c2cc1C ZINC000019125350 207104949 /nfs/dbraw/zinc/10/49/49/207104949.db2.gz VXYUHVNRSIIIJC-IBGZPJMESA-N 1 1 379.508 4.253 40 0 GIABMO O=C(C[C@@H]([NH2+]Cc1ccccn1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203792 207105897 /nfs/dbraw/zinc/10/58/97/207105897.db2.gz AZTWHFOLVJLUQS-OAQYLSRUSA-N 1 1 384.435 4.292 40 0 GIABMO Cn1nc(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c2nccnc21 ZINC000019289442 207112987 /nfs/dbraw/zinc/11/29/87/207112987.db2.gz CLBQVULMRLEASC-UHFFFAOYSA-N 1 1 376.291 4.050 40 0 GIABMO NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019374145 207119961 /nfs/dbraw/zinc/11/99/61/207119961.db2.gz DURHKMYKZKNRDK-RUZDIDTESA-N 1 1 385.511 4.059 40 0 GIABMO CC1CCN(C(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)no2)CC1 ZINC000019496741 207124985 /nfs/dbraw/zinc/12/49/85/207124985.db2.gz UPYGTYDIXRLNSO-SFHVURJKSA-N 1 1 385.483 4.065 40 0 GIABMO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 ZINC000019524928 207128414 /nfs/dbraw/zinc/12/84/14/207128414.db2.gz KFEHKTOGUTZXIJ-LJQANCHMSA-N 1 1 394.475 4.404 40 0 GIABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cn1 ZINC000019524928 207128419 /nfs/dbraw/zinc/12/84/19/207128419.db2.gz KFEHKTOGUTZXIJ-LJQANCHMSA-N 1 1 394.475 4.404 40 0 GIABMO Cc1noc2nc([C@H]3CCC[N@@H+](Cc4cnc(C)nc4)C3)cc(C(F)(F)F)c12 ZINC000019564388 207133902 /nfs/dbraw/zinc/13/39/02/207133902.db2.gz CJBRPYGVUIGVHB-AWEZNQCLSA-N 1 1 391.397 4.028 40 0 GIABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1 ZINC000019570300 207136719 /nfs/dbraw/zinc/13/67/19/207136719.db2.gz HNKKRTBEDNQKCQ-KRWDZBQOSA-N 1 1 397.519 4.125 40 0 GIABMO CN(C)c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019584443 207139615 /nfs/dbraw/zinc/13/96/15/207139615.db2.gz DCWJISNMXNKVGS-IBGZPJMESA-N 1 1 391.494 4.123 40 0 GIABMO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000019529148 207131618 /nfs/dbraw/zinc/13/16/18/207131618.db2.gz OKJHWJJHTKEJOH-AREMUKBSSA-N 1 1 399.538 4.320 40 0 GIABMO Cc1nc(C)n([C@@H](C)CC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)n1 ZINC000019657152 207146336 /nfs/dbraw/zinc/14/63/36/207146336.db2.gz BTFKMBBJKDFCBO-INIZCTEOSA-N 1 1 389.503 4.001 40 0 GIABMO Cc1nc(C)n([C@@H](C)CC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)n1 ZINC000019657152 207146339 /nfs/dbraw/zinc/14/63/39/207146339.db2.gz BTFKMBBJKDFCBO-INIZCTEOSA-N 1 1 389.503 4.001 40 0 GIABMO Cn1nc([C@@H]2CCCCN2C(=O)C2(c3ccccc3)CCCC2)cc1C[NH+](C)C ZINC000019709126 207151111 /nfs/dbraw/zinc/15/11/11/207151111.db2.gz QEGLENGJRJNASB-QFIPXVFZSA-N 1 1 394.563 4.047 40 0 GIABMO Cc1nc([C@@H]2CC[N@H+](C3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753196 207159658 /nfs/dbraw/zinc/15/96/58/207159658.db2.gz XPVGGVANSCSHTQ-OAHLLOKOSA-N 1 1 384.911 4.423 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCOc1ccc(Cl)cc1 ZINC000020489443 207197800 /nfs/dbraw/zinc/19/78/00/207197800.db2.gz MTBURCRSLQKYFX-UHFFFAOYSA-N 1 1 383.879 4.310 40 0 GIABMO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020453896 207194832 /nfs/dbraw/zinc/19/48/32/207194832.db2.gz USTVAMULQRKVEV-HXUWFJFHSA-N 1 1 383.879 4.308 40 0 GIABMO CCn1ncc(C[N@H+]2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c1C ZINC000072353352 208000725 /nfs/dbraw/zinc/00/07/25/208000725.db2.gz XPGASFOYWIJKOK-IBGZPJMESA-N 1 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CCCC[N@H+]1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216408 570317561 /nfs/dbraw/zinc/31/75/61/570317561.db2.gz GIDKFYIRTLEXKX-IBGZPJMESA-N 1 1 388.556 4.076 40 0 GIABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](Cc3ccc(O)cc3)CC2)c1 ZINC000257243619 570487772 /nfs/dbraw/zinc/48/77/72/570487772.db2.gz IHUPMXVRXJJMFJ-NRFANRHFSA-N 1 1 375.896 4.150 40 0 GIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)C1 ZINC000225002880 570542653 /nfs/dbraw/zinc/54/26/53/570542653.db2.gz WWJQMEFHLXSRKE-IBGZPJMESA-N 1 1 393.531 4.007 40 0 GIABMO COc1ccc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@H]2C)OCO4)cc1 ZINC000035361741 570551977 /nfs/dbraw/zinc/55/19/77/570551977.db2.gz HIXCOBNUFVJSMU-UQDCGMOVSA-N 1 1 381.472 4.396 40 0 GIABMO Cc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000036740167 570568590 /nfs/dbraw/zinc/56/85/90/570568590.db2.gz CEBAELXHWLRDTE-QHCPKHFHSA-N 1 1 393.535 4.180 40 0 GIABMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C ZINC000036741251 570569185 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GIABMO CCOc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004885990 570642936 /nfs/dbraw/zinc/64/29/36/570642936.db2.gz GZEMZGFSTVNJRC-IHWFROFDSA-N 1 1 379.504 4.402 40 0 GIABMO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933145 570643840 /nfs/dbraw/zinc/64/38/40/570643840.db2.gz TULIAJBVIRCGBA-VQIMIIECSA-N 1 1 386.923 4.438 40 0 GIABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936229 570644302 /nfs/dbraw/zinc/64/43/02/570644302.db2.gz ARYQIIRDHCXNGX-DENIHFKCSA-N 1 1 384.495 4.314 40 0 GIABMO Cc1cc(-c2cnc(NCCC[N@@H+]3CCCC[C@H]3C)nc2-c2ccco2)on1 ZINC000012337048 570644780 /nfs/dbraw/zinc/64/47/80/570644780.db2.gz HBEQZQFQKFMPTN-MRXNPFEDSA-N 1 1 381.480 4.376 40 0 GIABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625710 570665367 /nfs/dbraw/zinc/66/53/67/570665367.db2.gz UTQAWKRUTNWPHS-PBHICJAKSA-N 1 1 388.943 4.091 40 0 GIABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 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377.467 4.442 40 0 GIABMO CC1CC[NH+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)CC1 ZINC000013563023 136201299 /nfs/dbraw/zinc/20/12/99/136201299.db2.gz XZSIOBOUOCIBHS-UHFFFAOYSA-N 1 1 391.471 4.105 40 0 GIABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)c1C ZINC000257340950 209078888 /nfs/dbraw/zinc/07/88/88/209078888.db2.gz ZIFXZZWDSGRJAI-QGZVFWFLSA-N 1 1 396.564 4.495 40 0 GIABMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350019 222236067 /nfs/dbraw/zinc/23/60/67/222236067.db2.gz VZAPARXRANANIE-SFHVURJKSA-N 1 1 380.923 4.439 40 0 GIABMO Cn1ccnc1C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350019 222236071 /nfs/dbraw/zinc/23/60/71/222236071.db2.gz VZAPARXRANANIE-SFHVURJKSA-N 1 1 380.923 4.439 40 0 GIABMO C[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000073369901 222271179 /nfs/dbraw/zinc/27/11/79/222271179.db2.gz VEINRYGCKDRNLM-IEKZBVHVSA-N 1 1 380.488 4.064 40 0 GIABMO C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C\S(=O)(=O)c3ccccc3)cc12 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OHKVBEFQKLEWSO-JAXLGGSGSA-N 1 1 386.561 4.091 40 0 biogenic,in-vitro GIABMO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cn(C)c5ccccc45)C[C@H]3F)nc2c1 ZINC000096112319 560060829 /nfs/dbraw/zinc/06/08/29/560060829.db2.gz IDCNSLDDQZDXCO-GCJKJVERSA-N 1 1 392.478 4.102 40 0 biogenic,in-vitro GIABMO Cc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)C[C@H]3F)nc2c1 ZINC000096112319 560060831 /nfs/dbraw/zinc/06/08/31/560060831.db2.gz IDCNSLDDQZDXCO-GCJKJVERSA-N 1 1 392.478 4.102 40 0 biogenic,in-vitro GIABMO Cc1ccc2nc(CO[C@H]3C[N@H+](Cc4cn(C)c5ccccc45)C[C@H]3F)[nH]c2c1 ZINC000096112319 560060833 /nfs/dbraw/zinc/06/08/33/560060833.db2.gz IDCNSLDDQZDXCO-GCJKJVERSA-N 1 1 392.478 4.102 40 0 biogenic,in-vitro GIABMO Cc1ccc2nc(CO[C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)C[C@H]3F)[nH]c2c1 ZINC000096112319 560060835 /nfs/dbraw/zinc/06/08/35/560060835.db2.gz IDCNSLDDQZDXCO-GCJKJVERSA-N 1 1 392.478 4.102 40 0 biogenic,in-vitro GIABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+](Cc4cn(C)nc4C)C3)n2)s1 ZINC000585262594 570230875 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O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019401607 818592417 /nfs/dbraw/zinc/59/24/17/818592417.db2.gz HSJBNFIRQNEHMC-GBXCKJPGSA-N 1 1 392.547 4.126 40 0 GIABMO CC[N@@H+](CCc1ccccc1)[C@@H]1CCO[C@H](c2ccc(C(=O)N(C)C)cc2)C1 ZINC000019712687 818602547 /nfs/dbraw/zinc/60/25/47/818602547.db2.gz VMEOWRCUCDWGRV-PKTZIBPZSA-N 1 1 380.532 4.173 40 0 GIABMO Cc1nc([C@@H]2CCC[N@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019755353 818605210 /nfs/dbraw/zinc/60/52/10/818605210.db2.gz WDZKQUMWPPXCPT-QFIPXVFZSA-N 1 1 386.499 4.417 40 0 GIABMO COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CC[N@@H+](CC4CCCCC4)C[C@@H]32)c1 ZINC000019566326 210266451 /nfs/dbraw/zinc/26/64/51/210266451.db2.gz ZHLCAIUMERYASO-WXFUMESZSA-N 1 1 396.575 4.302 40 0 GIABMO COc1cccc(C[N@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@H]2CCCO2)c1 ZINC000019564650 210266376 /nfs/dbraw/zinc/26/63/76/210266376.db2.gz MLVVJFADVZUJJW-HSZRJFAPSA-N 1 1 394.515 4.003 40 0 GIABMO Cc1ncsc1-c1nnc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)o1 ZINC000019562780 210262864 /nfs/dbraw/zinc/26/28/64/210262864.db2.gz VHYWWSZHEMKWPG-KRWDZBQOSA-N 1 1 391.500 4.429 40 0 GIABMO COc1cc2c(cc1OC)[C@H](c1ccccc1F)[N@H+](CC1=CCCOC1)CC2 ZINC000019550681 210261846 /nfs/dbraw/zinc/26/18/46/210261846.db2.gz VYOLBHVGJYRKLK-QHCPKHFHSA-N 1 1 383.463 4.137 40 0 GIABMO COc1cc2c(cc1OC)[C@H](c1ccccc1F)[N@@H+](CC1=CCCOC1)CC2 ZINC000019550681 210261850 /nfs/dbraw/zinc/26/18/50/210261850.db2.gz VYOLBHVGJYRKLK-QHCPKHFHSA-N 1 1 383.463 4.137 40 0 GIABMO COc1ccc(C[N@@H+](Cc2cccnc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554812 210261573 /nfs/dbraw/zinc/26/15/73/210261573.db2.gz RMSVURKUARYZQN-BJKOFHAPSA-N 1 1 392.474 4.414 40 0 GIABMO COc1cc(C[NH2+][C@H](Cc2cccs2)c2nccs2)cc(OC)c1OC ZINC000019549922 210259162 /nfs/dbraw/zinc/25/91/62/210259162.db2.gz IQGCGZOEFBMOJB-OAHLLOKOSA-N 1 1 390.530 4.304 40 0 GIABMO CC[C@@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C)n1 ZINC000328965296 529375767 /nfs/dbraw/zinc/37/57/67/529375767.db2.gz CCVHURJPEWZPAI-GFCCVEGCSA-N 1 1 375.314 4.321 40 0 GIABMO COc1ccc([C@@H](NC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)c2ccccc2)cc1 ZINC000019454315 210250590 /nfs/dbraw/zinc/25/05/90/210250590.db2.gz MHLXAUJMUDUQIU-UTKZUKDTSA-N 1 1 377.488 4.482 40 0 GIABMO NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000019374147 210246669 /nfs/dbraw/zinc/24/66/69/210246669.db2.gz NSDPLDCWUPTJPW-RUZDIDTESA-N 1 1 385.511 4.059 40 0 GIABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)no1)N1CCCC1 ZINC000019376378 210246272 /nfs/dbraw/zinc/24/62/72/210246272.db2.gz LBPXTVTZIIIFFX-FQEVSTJZSA-N 1 1 389.499 4.443 40 0 GIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2c2ccccc2F)N1 ZINC000019368217 210243029 /nfs/dbraw/zinc/24/30/29/210243029.db2.gz KLXGNLFFYUELQH-HTAPYJJXSA-N 1 1 388.433 4.132 40 0 GIABMO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000019332151 210241102 /nfs/dbraw/zinc/24/11/02/210241102.db2.gz HRRWGCFBGLSRLT-ACRUOGEOSA-N 1 1 384.520 4.227 40 0 GIABMO Clc1cccc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)c1Cl ZINC000019292601 210239534 /nfs/dbraw/zinc/23/95/34/210239534.db2.gz ZHJDPBGBTUHNOY-UHFFFAOYSA-N 1 1 394.346 4.113 40 0 GIABMO COc1cc(C)ccc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019134031 210227731 /nfs/dbraw/zinc/22/77/31/210227731.db2.gz HGNSLEBTHSBBSA-HXUWFJFHSA-N 1 1 390.487 4.288 40 0 GIABMO COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2C)C3)cc1 ZINC000001370580 209323867 /nfs/dbraw/zinc/32/38/67/209323867.db2.gz ZKSIBSCGCGHHDP-SEJPIABJSA-N 1 1 378.516 4.319 40 0 GIABMO Fc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c1 ZINC000306144166 212055067 /nfs/dbraw/zinc/05/50/67/212055067.db2.gz YXYRVWGELWOWEG-JOCHJYFZSA-N 1 1 381.426 4.003 40 0 GIABMO Clc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306142595 212054706 /nfs/dbraw/zinc/05/47/06/212054706.db2.gz XDYYVBTUOUQFNF-SFHVURJKSA-N 1 1 395.938 4.363 40 0 GIABMO c1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cs1 ZINC000306138228 212053417 /nfs/dbraw/zinc/05/34/17/212053417.db2.gz RSSGXEVUMGLWGY-LJQANCHMSA-N 1 1 375.501 4.232 40 0 GIABMO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccccc4F)C2)OC3)cc1 ZINC000306139963 212052898 /nfs/dbraw/zinc/05/28/98/212052898.db2.gz UFMQNABEWNEUNE-QHCPKHFHSA-N 1 1 377.463 4.173 40 0 GIABMO Cc1ccsc1C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306138541 212052372 /nfs/dbraw/zinc/05/23/72/212052372.db2.gz SAEPEBHZLZEPOC-WOJBJXKFSA-N 1 1 395.503 4.079 40 0 GIABMO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306135868 212051701 /nfs/dbraw/zinc/05/17/01/212051701.db2.gz PDHWPWCQPBOVID-QHCPKHFHSA-N 1 1 377.463 4.173 40 0 GIABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306136317 212051765 /nfs/dbraw/zinc/05/17/65/212051765.db2.gz PPYQHLZITCCUKM-OAQYLSRUSA-N 1 1 399.498 4.180 40 0 GIABMO Cc1ccc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)s1 ZINC000306135080 212050857 /nfs/dbraw/zinc/05/08/57/212050857.db2.gz OHJGWNVEKAHWRJ-QFIPXVFZSA-N 1 1 376.529 4.010 40 0 GIABMO c1csc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)nn3c2)c1 ZINC000306131355 212049938 /nfs/dbraw/zinc/04/99/38/212049938.db2.gz KCIMYUMNILFKAU-GOSISDBHSA-N 1 1 375.501 4.232 40 0 GIABMO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc(F)cc4)C2)OC3)cc1 ZINC000306130780 212049031 /nfs/dbraw/zinc/04/90/31/212049031.db2.gz JPFNYXZCDJTZJU-HSZRJFAPSA-N 1 1 377.463 4.173 40 0 GIABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccc(F)cc2)s1 ZINC000306131078 212048817 /nfs/dbraw/zinc/04/88/17/212048817.db2.gz JVYXNAJAEQDNCF-LEWJYISDSA-N 1 1 395.503 4.079 40 0 GIABMO Fc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 ZINC000306130643 212048390 /nfs/dbraw/zinc/04/83/90/212048390.db2.gz JMEMXGPPJPAQPT-JOCHJYFZSA-N 1 1 381.426 4.003 40 0 GIABMO Cc1cccc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccc(F)cc4)C2)OC3)c1 ZINC000306125430 212045391 /nfs/dbraw/zinc/04/53/91/212045391.db2.gz CQPAMJDHTGFXDH-HSZRJFAPSA-N 1 1 377.463 4.173 40 0 GIABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2cccs2)s1 ZINC000306124855 212044752 /nfs/dbraw/zinc/04/47/52/212044752.db2.gz CAVLLZBYLZYSOD-RBUKOAKNSA-N 1 1 383.542 4.001 40 0 GIABMO Cc1cccnc1C(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2C ZINC000257319815 212023670 /nfs/dbraw/zinc/02/36/70/212023670.db2.gz VUEIGIFCFZOAMI-HNTODFAGSA-N 1 1 389.543 4.089 40 0 GIABMO Cc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000027666040 209178278 /nfs/dbraw/zinc/17/82/78/209178278.db2.gz ANPLYRGZQFFSJB-DEOSSOPVSA-N 1 1 375.512 4.480 40 0 GIABMO C[N@H+]1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)Cc1cccnc1 ZINC000257251355 212011067 /nfs/dbraw/zinc/01/10/67/212011067.db2.gz JQKIQSJXPUZHRK-FIXSFTCYSA-N 1 1 377.532 4.231 40 0 GIABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000257231225 212007518 /nfs/dbraw/zinc/00/75/18/212007518.db2.gz GFVQGBYOYBJJDG-OAQYLSRUSA-N 1 1 394.563 4.442 40 0 GIABMO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2[N@H+](Cc1ccccc1C(=O)[O-])[C@H]3Cc1ccccc1 ZINC000257205756 212003656 /nfs/dbraw/zinc/00/36/56/212003656.db2.gz BALYYGSUJHGPRY-WHGMEAMLSA-N 1 1 390.527 4.101 40 0 GIABMO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2[N@@H+](Cc1ccccc1C(=O)[O-])[C@H]3Cc1ccccc1 ZINC000257205756 212003658 /nfs/dbraw/zinc/00/36/58/212003658.db2.gz BALYYGSUJHGPRY-WHGMEAMLSA-N 1 1 390.527 4.101 40 0 GIABMO Fc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@H]2CCCO2)cc1 ZINC000000904212 211495926 /nfs/dbraw/zinc/49/59/26/211495926.db2.gz WSCXWBLZDGCYKX-OAHLLOKOSA-N 1 1 390.256 4.494 40 0 GIABMO Cc1cccc(NC(=O)N2CCO[C@@H](c3[nH+]cn4c3cccc4C3CC3)C2)c1 ZINC000096267331 211328194 /nfs/dbraw/zinc/32/81/94/211328194.db2.gz WGOXDFIDCFPTHP-HXUWFJFHSA-N 1 1 376.460 4.126 40 0 GIABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)cc1 ZINC000096244649 211324525 /nfs/dbraw/zinc/32/45/25/211324525.db2.gz SYFWBXDTNVZPNY-VWLOTQADSA-N 1 1 385.511 4.434 40 0 GIABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)cc1 ZINC000096244648 211324168 /nfs/dbraw/zinc/32/41/68/211324168.db2.gz SYFWBXDTNVZPNY-RUZDIDTESA-N 1 1 385.511 4.434 40 0 GIABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@H+]1CC(C)(C)C ZINC000072370379 211103613 /nfs/dbraw/zinc/10/36/13/211103613.db2.gz XKLNECJHNGUJPQ-MRXNPFEDSA-N 1 1 388.577 4.331 40 0 GIABMO COc1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)[nH]n2)c1 ZINC000072371211 211103266 /nfs/dbraw/zinc/10/32/66/211103266.db2.gz JSOAMIPFZRMPQF-GOSISDBHSA-N 1 1 395.478 4.168 40 0 GIABMO COc1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccc(F)cc4)C3)n[nH]2)c1 ZINC000072371211 211103269 /nfs/dbraw/zinc/10/32/69/211103269.db2.gz JSOAMIPFZRMPQF-GOSISDBHSA-N 1 1 395.478 4.168 40 0 GIABMO COc1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)n[nH]2)c1 ZINC000072371211 211103274 /nfs/dbraw/zinc/10/32/74/211103274.db2.gz JSOAMIPFZRMPQF-GOSISDBHSA-N 1 1 395.478 4.168 40 0 GIABMO Cc1cc(N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)nc(C)[nH+]1 ZINC000072371420 211101869 /nfs/dbraw/zinc/10/18/69/211101869.db2.gz ASBDJXMAEADYAY-MRXNPFEDSA-N 1 1 397.910 4.085 40 0 GIABMO CCn1cc(C[N@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)c(C)n1 ZINC000072376057 211104481 /nfs/dbraw/zinc/10/44/81/211104481.db2.gz GUJCIZMTVVSPOG-IBGZPJMESA-N 1 1 390.535 4.433 40 0 GIABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)NC1CCCCC1 ZINC000072357692 211099259 /nfs/dbraw/zinc/09/92/59/211099259.db2.gz MBHVNFKSCKRBST-HSZRJFAPSA-N 1 1 377.532 4.258 40 0 GIABMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1)NC1CCCCC1 ZINC000072357692 211099261 /nfs/dbraw/zinc/09/92/61/211099261.db2.gz MBHVNFKSCKRBST-HSZRJFAPSA-N 1 1 377.532 4.258 40 0 GIABMO Nc1cc(-c2c[nH]nc2[C@@H]2CCCC[N@H+]2CCCOc2ccccc2)ccn1 ZINC000072357474 211098669 /nfs/dbraw/zinc/09/86/69/211098669.db2.gz WGLLKSRQVLCWNG-FQEVSTJZSA-N 1 1 377.492 4.050 40 0 GIABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000072354861 211098439 /nfs/dbraw/zinc/09/84/39/211098439.db2.gz XVKZLFBTYGTOJK-HXUWFJFHSA-N 1 1 396.441 4.220 40 0 GIABMO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000044849454 210813701 /nfs/dbraw/zinc/81/37/01/210813701.db2.gz YFWNDZBHFIXJOD-QFIPXVFZSA-N 1 1 377.488 4.271 40 0 GIABMO Clc1cccc(C[NH2+]C2(Cc3cc(COc4ccccc4)on3)COC2)c1 ZINC000067898145 210328408 /nfs/dbraw/zinc/32/84/08/210328408.db2.gz WGCIGYOFQMIEJP-UHFFFAOYSA-N 1 1 384.863 4.008 40 0 biogenic,in-vitro GIABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764682 210294663 /nfs/dbraw/zinc/29/46/63/210294663.db2.gz ZSDNLFULSWTEFC-NRFANRHFSA-N 1 1 396.510 4.324 40 0 GIABMO Cc1[nH+]ccn1[C@@H](C(=O)NCC1(c2ccccc2Cl)CC1)c1ccccc1 ZINC000019718828 210289680 /nfs/dbraw/zinc/28/96/80/210289680.db2.gz VWMBOUFKGGKPHP-HXUWFJFHSA-N 1 1 379.891 4.282 40 0 GIABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccncc3)[nH]n2)cc1F ZINC000019703674 210283193 /nfs/dbraw/zinc/28/31/93/210283193.db2.gz ZFCWYATZGDQQGN-OAQYLSRUSA-N 1 1 384.430 4.042 40 0 GIABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccncc3)[nH]n2)cc1F ZINC000019703674 210283198 /nfs/dbraw/zinc/28/31/98/210283198.db2.gz ZFCWYATZGDQQGN-OAQYLSRUSA-N 1 1 384.430 4.042 40 0 GIABMO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1c1cc(-c2cnn(C)c2)cc(C)n1 ZINC000019691003 210281148 /nfs/dbraw/zinc/28/11/48/210281148.db2.gz OEOFTIFPVLGYOQ-NRFANRHFSA-N 1 1 386.503 4.084 40 0 GIABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1nccc2ccccc21 ZINC000019589248 210273595 /nfs/dbraw/zinc/27/35/95/210273595.db2.gz ZQVSOHAEZZAPPS-MQSCRBSSSA-N 1 1 389.474 4.076 40 0 GIABMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(C)c(OC)cc3C)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128624 221155283 /nfs/dbraw/zinc/15/52/83/221155283.db2.gz DHYDUVXVJBKEMG-FCHUYYIVSA-N 1 1 391.515 4.427 40 0 GIABMO O=C1CCCN1C[C@@H]1CCC[N@H+](CC2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000012364533 221184925 /nfs/dbraw/zinc/18/49/25/221184925.db2.gz VMKSBSDSFDTNRG-OAHLLOKOSA-N 1 1 381.347 4.359 40 0 GIABMO Cn1cc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)c2ccccc21 ZINC000096112097 560061031 /nfs/dbraw/zinc/06/10/31/560061031.db2.gz KLGIMSFNARLVAU-UTKZUKDTSA-N 1 1 379.435 4.059 40 0 biogenic,in-vitro GIABMO Cn1cc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4ccccc4o3)C2)c2ccccc21 ZINC000096112097 560061032 /nfs/dbraw/zinc/06/10/32/560061032.db2.gz KLGIMSFNARLVAU-UTKZUKDTSA-N 1 1 379.435 4.059 40 0 biogenic,in-vitro GIABMO CC(C)c1nc(NC2CC2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329051457 570215180 /nfs/dbraw/zinc/21/51/80/570215180.db2.gz UXOUKWSWZWFDER-UHFFFAOYSA-N 1 1 387.325 4.500 40 0 GIABMO OCC[N@H+]1CCC[C@@H]1CCc1ccc(Nc2ncc(-c3ccccc3)s2)nc1 ZINC000585263044 570230994 /nfs/dbraw/zinc/23/09/94/570230994.db2.gz XAWYASAASJCZKP-LJQANCHMSA-N 1 1 394.544 4.338 40 0 GIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585270115 570238605 /nfs/dbraw/zinc/23/86/05/570238605.db2.gz FRDJSOSDSNHGAV-DEOSSOPVSA-N 1 1 396.531 4.058 40 0 GIABMO C[N@H+]1CCCC[C@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 ZINC000022002228 570301504 /nfs/dbraw/zinc/30/15/04/570301504.db2.gz OEYDBWKMXFZENQ-SFHVURJKSA-N 1 1 381.907 4.298 40 0 GIABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216467 570317390 /nfs/dbraw/zinc/31/73/90/570317390.db2.gz VSNSVOSKRVVHBQ-LJQANCHMSA-N 1 1 388.556 4.076 40 0 GIABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216480 570317426 /nfs/dbraw/zinc/31/74/26/570317426.db2.gz UFAMEDMPFIVVNN-LJQANCHMSA-N 1 1 388.556 4.076 40 0 GIABMO Cc1cc(N2CCOCC2)[nH+]cc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219430 570318292 /nfs/dbraw/zinc/31/82/92/570318292.db2.gz FHNUYLVAHZRSMV-NRFANRHFSA-N 1 1 395.503 4.090 40 0 GIABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Br)cc1 ZINC000072227790 570319110 /nfs/dbraw/zinc/31/91/10/570319110.db2.gz PTOCXHUOOLZTDU-UONOGXRCSA-N 1 1 386.076 4.171 40 0 GIABMO CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000004888021 570415772 /nfs/dbraw/zinc/41/57/72/570415772.db2.gz DKEHDHZBWVQWMT-YQQQUEKLSA-N 1 1 383.492 4.386 40 0 GIABMO 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575369611 /nfs/dbraw/zinc/36/96/11/575369611.db2.gz WZPCNJINMOWRMM-FUHWJXTLSA-N 1 1 392.524 4.205 40 0 biogenic,in-vitro GIABMO Cc1c(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000019704539 818601867 /nfs/dbraw/zinc/60/18/67/818601867.db2.gz ADOXTCQPSRGSDD-LJQANCHMSA-N 1 1 393.535 4.144 40 0 GIABMO Cc1c(C[N@H+]2CC[C@@H](c3cc(COc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000019704539 818601873 /nfs/dbraw/zinc/60/18/73/818601873.db2.gz ADOXTCQPSRGSDD-LJQANCHMSA-N 1 1 393.535 4.144 40 0 GIABMO Cc1c(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000019704539 818601877 /nfs/dbraw/zinc/60/18/77/818601877.db2.gz ADOXTCQPSRGSDD-LJQANCHMSA-N 1 1 393.535 4.144 40 0 GIABMO COc1ccc(C)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712638 818602651 /nfs/dbraw/zinc/60/26/51/818602651.db2.gz OKRIGTZMVNYSOY-IMSXRSKXSA-N 1 1 378.516 4.030 40 0 GIABMO CC(=O)N1CCCCC[C@@H]2[N@@H+](Cc3ccc(Oc4ncccn4)cc3)CC[C@@]21C ZINC000019713335 818603335 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/nfs/dbraw/zinc/15/57/53/209155753.db2.gz JEHCXGAXTBQJHM-MRXNPFEDSA-N 1 1 392.547 4.137 40 0 GIABMO O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096627726 211344746 /nfs/dbraw/zinc/34/47/46/211344746.db2.gz JQJNERCKHSFXES-LJQANCHMSA-N 1 1 381.495 4.277 40 0 GIABMO CCS(=O)(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071276 211297838 /nfs/dbraw/zinc/29/78/38/211297838.db2.gz MNSZGSLDLGOUET-HSZRJFAPSA-N 1 1 398.572 4.134 40 0 GIABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398562 211112899 /nfs/dbraw/zinc/11/28/99/211112899.db2.gz PJTRSEHMOFUPPA-PPIOEHGWSA-N 1 1 389.543 4.464 40 0 GIABMO CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](CC2CCCCC2)C1 ZINC000072391088 211111118 /nfs/dbraw/zinc/11/11/18/211111118.db2.gz VIWIUXFZIWCZKO-RUZDIDTESA-N 1 1 391.559 4.310 40 0 GIABMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000072392527 211110027 /nfs/dbraw/zinc/11/00/27/211110027.db2.gz KPXBSUSZQCHKHD-QUZZAMIASA-N 1 1 379.479 4.048 40 0 GIABMO O=c1cc([C@H]2CCCCN2Cc2ccc(F)c(F)c2)nc(-c2ccccn2)[n-]1 ZINC000072390515 211107496 /nfs/dbraw/zinc/10/74/96/211107496.db2.gz IKDIFOHXZNCPES-LJQANCHMSA-N 1 1 382.414 4.250 40 0 GIABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072344784 211095453 /nfs/dbraw/zinc/09/54/53/211095453.db2.gz FNFCFXKZBPRWKP-NRFANRHFSA-N 1 1 388.515 4.062 40 0 GIABMO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000072354859 211099342 /nfs/dbraw/zinc/09/93/42/211099342.db2.gz FEGCIVIWWWSNLG-HXUWFJFHSA-N 1 1 396.441 4.220 40 0 GIABMO CCc1ncc(C[N@@H+]2CCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072354926 211099097 /nfs/dbraw/zinc/09/90/97/211099097.db2.gz HAWHEOWQMZIXKE-GOSISDBHSA-N 1 1 394.910 4.069 40 0 GIABMO CCc1ncc(C[N@H+]2CCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072354926 211099100 /nfs/dbraw/zinc/09/91/00/211099100.db2.gz HAWHEOWQMZIXKE-GOSISDBHSA-N 1 1 394.910 4.069 40 0 GIABMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1)N1CCCC1 ZINC000072357654 211098858 /nfs/dbraw/zinc/09/88/58/211098858.db2.gz XFRWSXZMDFTCLD-OAQYLSRUSA-N 1 1 383.923 4.085 40 0 GIABMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1)N1CCCC1 ZINC000072357654 211098860 /nfs/dbraw/zinc/09/88/60/211098860.db2.gz XFRWSXZMDFTCLD-OAQYLSRUSA-N 1 1 383.923 4.085 40 0 GIABMO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000072348591 211096022 /nfs/dbraw/zinc/09/60/22/211096022.db2.gz GBMOZUJYLWCEQI-HXUWFJFHSA-N 1 1 389.474 4.366 40 0 GIABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000072330383 211092008 /nfs/dbraw/zinc/09/20/08/211092008.db2.gz ZKHZGQPOXIOMLL-YKSBVNFPSA-N 1 1 395.547 4.206 40 0 GIABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330382 211091387 /nfs/dbraw/zinc/09/13/87/211091387.db2.gz OWBSAKCTQZGDKT-RDPSFJRHSA-N 1 1 395.547 4.206 40 0 GIABMO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020456218 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397.519 4.125 40 0 GIABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccccc5)c43)C2)cc1 ZINC000004258815 560197974 /nfs/dbraw/zinc/19/79/74/560197974.db2.gz MVMYLJBOPMRACS-PZJWPPBQSA-N 1 1 386.495 4.143 40 0 biogenic,in-vitro GIABMO CC(C)(C)[C@H]1CC[C@H]([N@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288066 570258953 /nfs/dbraw/zinc/25/89/53/570258953.db2.gz VHWZPWBOIKNBFL-HOIFWPIMSA-N 1 1 397.506 4.012 40 0 GIABMO CCN(CC)CC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000022075763 570321530 /nfs/dbraw/zinc/32/15/30/570321530.db2.gz KBDYJTBNKDBWHD-UHFFFAOYSA-N 1 1 394.918 4.498 40 0 GIABMO C[NH+]1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)CC1 ZINC000408577237 570342945 /nfs/dbraw/zinc/34/29/45/570342945.db2.gz SACBZWJBVDCLNQ-UHFFFAOYSA-N 1 1 395.355 4.495 40 0 GIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc(OC(C)C)c(OC)c1 ZINC000022931876 570379771 /nfs/dbraw/zinc/37/97/71/570379771.db2.gz ADRUQHQZVMIWDF-JOCHJYFZSA-N 1 1 397.563 4.364 40 0 GIABMO CCOc1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+]2CC)c(C)cc1OC ZINC000022931884 570379778 /nfs/dbraw/zinc/37/97/78/570379778.db2.gz YEVZCKAOCDOADW-JOCHJYFZSA-N 1 1 397.563 4.284 40 0 GIABMO CC(=O)Nc1cccc(/C=C/c2[nH+]c(N)nc(N)c2-c2ccc(Cl)cc2)c1 ZINC000004771719 570404575 /nfs/dbraw/zinc/40/45/75/570404575.db2.gz YBGXPSTUBSFQLY-BJMVGYQFSA-N 1 1 379.851 4.090 40 0 GIABMO CCc1ccc(CC)c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224015793 570494604 /nfs/dbraw/zinc/49/46/04/570494604.db2.gz WEYKWPKDKZWBNJ-OAQYLSRUSA-N 1 1 382.523 4.479 40 0 GIABMO CC[NH+](CC)[C@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2OC)[C@@H]1C)OCO3 ZINC000031861125 570507064 /nfs/dbraw/zinc/50/70/64/570507064.db2.gz XFZQJONSCZRGGL-RUGFAHKUSA-N 1 1 399.487 4.261 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000224316165 570508570 /nfs/dbraw/zinc/50/85/70/570508570.db2.gz LXQNYTFEHFMUMB-QGZVFWFLSA-N 1 1 389.499 4.143 40 0 GIABMO CC(C)(C)c1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224706350 570526245 /nfs/dbraw/zinc/52/62/45/570526245.db2.gz AMRZRADAYHDVQF-FMIVXFBMSA-N 1 1 392.543 4.146 40 0 GIABMO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225059058 570545741 /nfs/dbraw/zinc/54/57/41/570545741.db2.gz AXDAFTBKABMVMB-XMMPIXPASA-N 1 1 392.543 4.067 40 0 GIABMO COc1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)cc1 ZINC000035291737 570551251 /nfs/dbraw/zinc/55/12/51/570551251.db2.gz SZYYTQJDELNHQH-UHFFFAOYSA-N 1 1 392.503 4.006 40 0 GIABMO O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225325253 570564804 /nfs/dbraw/zinc/56/48/04/570564804.db2.gz FZRIRLWOBHTWGD-UHFFFAOYSA-N 1 1 377.315 4.270 40 0 GIABMO COc1ccc2[nH]cc([C@@H](O)C[N@H+]3CCC[C@H](COc4ccccc4F)C3)c2c1 ZINC000036743796 570569882 /nfs/dbraw/zinc/56/98/82/570569882.db2.gz LXLWQXIHUUKAHK-AOMKIAJQSA-N 1 1 398.478 4.140 40 0 GIABMO CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000038771893 570583129 /nfs/dbraw/zinc/58/31/29/570583129.db2.gz JISJNWQUWPZCHL-NRFANRHFSA-N 1 1 377.488 4.271 40 0 GIABMO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225672155 570601021 /nfs/dbraw/zinc/60/10/21/570601021.db2.gz DOOYCVOGEWQIFB-FDDCHVKYSA-N 1 1 388.552 4.474 40 0 GIABMO COc1cc(C[N@@H+](CCCn2ccnc2)Cc2ccc(C)s2)cc2c1OCO2 ZINC000043277890 570627117 /nfs/dbraw/zinc/62/71/17/570627117.db2.gz ADKHEGOITKEHQC-UHFFFAOYSA-N 1 1 399.516 4.083 40 0 GIABMO Cc1[nH+]cc(CN2[C@@H]3CC[C@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)n1C ZINC000012221588 570627983 /nfs/dbraw/zinc/62/79/83/570627983.db2.gz WKMGNORSHHVILW-GCJKJVERSA-N 1 1 398.514 4.008 40 0 GIABMO CC1CC[NH+](CC(C)(C)CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)CC1 ZINC000012293152 570633764 /nfs/dbraw/zinc/63/37/64/570633764.db2.gz POTVOMVIGMPPLG-RIKCKFAHSA-N 1 1 388.571 4.398 40 0 GIABMO Cc1c(/C=C/C2=CC[N@@H+](C)CC2)c2ccccc2n1CC(=O)N1CCCCC1 ZINC000004933146 570650120 /nfs/dbraw/zinc/65/01/20/570650120.db2.gz FXAYTKGRFUNDIT-ZHACJKMWSA-N 1 1 377.532 4.237 40 0 GIABMO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000166024234 570761060 /nfs/dbraw/zinc/76/10/60/570761060.db2.gz BSVAZRSCDNGMCN-QHCPKHFHSA-N 1 1 394.559 4.486 40 0 GIABMO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000260529671 570786851 /nfs/dbraw/zinc/78/68/51/570786851.db2.gz VYWLKICTLZXXAX-ZWKOTPCHSA-N 1 1 396.531 4.427 40 0 GIABMO COc1ccc(C[N@H+](Cc2ccc3ccccc3n2)C[C@@H]2CCCO2)cc1OC ZINC000013994186 570869034 /nfs/dbraw/zinc/86/90/34/570869034.db2.gz XGTYEMZNONMBFD-NRFANRHFSA-N 1 1 392.499 4.433 40 0 GIABMO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@@H+](CC2CCCCC2)CC3)cs1 ZINC000585099983 570926341 /nfs/dbraw/zinc/92/63/41/570926341.db2.gz BWLKHYVIDDPUFQ-OAQYLSRUSA-N 1 1 375.582 4.379 40 0 GIABMO O=C(c1cccs1)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@]1(O)c1cccs1 ZINC000012541281 570980039 /nfs/dbraw/zinc/98/00/39/570980039.db2.gz CSELUCAFPBCIKL-DYESRHJHSA-N 1 1 383.538 4.402 40 0 GIABMO O=C(c1cccs1)[C@H]1C[N@H+](Cc2ccccc2)CC[C@]1(O)c1cccs1 ZINC000012541281 570980045 /nfs/dbraw/zinc/98/00/45/570980045.db2.gz 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375.476 4.269 40 0 GIABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000072378826 211105447 /nfs/dbraw/zinc/10/54/47/211105447.db2.gz MXVACAVAAKPFMK-FQEVSTJZSA-N 1 1 378.451 4.011 40 0 GIABMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncccn3)n2)c2ccccc21 ZINC000072375756 211105317 /nfs/dbraw/zinc/10/53/17/211105317.db2.gz MAEVPWKLPWFWMA-NRFANRHFSA-N 1 1 384.487 4.444 40 0 GIABMO O=C(c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1CC1CC1)N1CCOCC1 ZINC000072370439 211103874 /nfs/dbraw/zinc/10/38/74/211103874.db2.gz LUNINGIFEMUDQS-SFHVURJKSA-N 1 1 398.572 4.181 40 0 GIABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1)N1CCCCC1 ZINC000072348709 211095283 /nfs/dbraw/zinc/09/52/83/211095283.db2.gz XGBXNPHAZUPCGS-FQEVSTJZSA-N 1 1 395.522 4.003 40 0 GIABMO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000072345927 211095297 /nfs/dbraw/zinc/09/52/97/211095297.db2.gz KBQJRSDNAFLTAJ-FQEVSTJZSA-N 1 1 388.515 4.157 40 0 GIABMO Cc1cc(-c2cnc(NCCCn3cc[nH+]c3C)nc2-c2cccs2)on1 ZINC000072337499 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4.080 40 0 GIABMO Cc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000072330396 211091203 /nfs/dbraw/zinc/09/12/03/211091203.db2.gz OVKDWHDBSHTJCI-REWPJTCUSA-N 1 1 392.547 4.045 40 0 GIABMO COc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)c(OC)cc1Cl ZINC000030942777 210560625 /nfs/dbraw/zinc/56/06/25/210560625.db2.gz LIMMJJVQWIOFKJ-UHFFFAOYSA-N 1 1 385.851 4.163 40 0 GIABMO Cc1[nH+]ccn1[C@H](C(=O)NCC1(c2ccccc2Cl)CC1)c1ccccc1 ZINC000019718829 210289462 /nfs/dbraw/zinc/28/94/62/210289462.db2.gz VWMBOUFKGGKPHP-FQEVSTJZSA-N 1 1 379.891 4.282 40 0 GIABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)[nH]n2)cc1F ZINC000019703652 210284750 /nfs/dbraw/zinc/28/47/50/210284750.db2.gz UZUXRUQHLLJDQR-OAQYLSRUSA-N 1 1 384.430 4.042 40 0 GIABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)[nH]n2)cc1F ZINC000019703652 210284755 /nfs/dbraw/zinc/28/47/55/210284755.db2.gz UZUXRUQHLLJDQR-OAQYLSRUSA-N 1 1 384.430 4.042 40 0 GIABMO Cc1c(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)cnn1C ZINC000019690889 210280788 /nfs/dbraw/zinc/28/07/88/210280788.db2.gz UHECHQCAWZMOCI-HSZRJFAPSA-N 1 1 378.495 4.499 40 0 GIABMO COc1ccc([C@H]2CCC[N@H+]2Cc2cnn(-c3ccc(F)cc3)c2)cc1OC ZINC000019656794 210277722 /nfs/dbraw/zinc/27/77/22/210277722.db2.gz YLDMAGMVSPBERF-HXUWFJFHSA-N 1 1 381.451 4.366 40 0 GIABMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)c1cc(-c2cccnc2)[nH]n1 ZINC000019657679 210277579 /nfs/dbraw/zinc/27/75/79/210277579.db2.gz QWZVDVGFINNUDT-UHFFFAOYSA-N 1 1 395.466 4.240 40 0 GIABMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)c1cc(-c2cccnc2)[nH]n1 ZINC000019657679 210277584 /nfs/dbraw/zinc/27/75/84/210277584.db2.gz QWZVDVGFINNUDT-UHFFFAOYSA-N 1 1 395.466 4.240 40 0 GIABMO CNc1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019592205 210274444 /nfs/dbraw/zinc/27/44/44/210274444.db2.gz INMPBUZTAKQRAO-GOSISDBHSA-N 1 1 377.467 4.099 40 0 GIABMO COc1ccc(C[N@H+](Cc2[nH]c3ccc(F)cc3c2C)C[C@@H](C)O)cc1OC ZINC000012185550 221164226 /nfs/dbraw/zinc/16/42/26/221164226.db2.gz XKEAYJFXXONYFP-CQSZACIVSA-N 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COc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044907127 570641706 /nfs/dbraw/zinc/64/17/06/570641706.db2.gz BYNYCXHSQDLJRT-IBGZPJMESA-N 1 1 380.532 4.290 40 0 GIABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000012365836 570646806 /nfs/dbraw/zinc/64/68/06/570646806.db2.gz HSQJPNPEKMMZCD-QUCCMNQESA-N 1 1 398.576 4.302 40 0 GIABMO CO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260814472 570707748 /nfs/dbraw/zinc/70/77/48/570707748.db2.gz IWICYXUBRAQMIB-SFYKDHMMSA-N 1 1 388.552 4.474 40 0 GIABMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(C[NH+]3CCCCCC3)coc1=O)C2 ZINC000100796937 570710866 /nfs/dbraw/zinc/71/08/66/570710866.db2.gz PCYFMWKQBFRPDZ-MBSDFSHPSA-N 1 1 388.552 4.122 40 0 GIABMO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000260890756 570713194 /nfs/dbraw/zinc/71/31/94/570713194.db2.gz RBWSXUHTVOUVQZ-IBGZPJMESA-N 1 1 380.532 4.344 40 0 GIABMO C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)C1 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CC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1csc3ccc(Cl)cc13)CCO2 ZINC000306139102 212052398 /nfs/dbraw/zinc/05/23/98/212052398.db2.gz SPIDTRYOCVOXPE-WOJBJXKFSA-N 1 1 392.952 4.204 40 0 GIABMO CC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1csc3ccc(Cl)cc13)CCO2 ZINC000306139102 212052402 /nfs/dbraw/zinc/05/24/02/212052402.db2.gz SPIDTRYOCVOXPE-WOJBJXKFSA-N 1 1 392.952 4.204 40 0 GIABMO CN(C(=O)c1ncc2n1CCC[C@H]2[N@H+](C)Cc1cccc(F)c1)C1CCCCC1 ZINC000306136392 212050890 /nfs/dbraw/zinc/05/08/90/212050890.db2.gz PSHIGABFRAITIV-HXUWFJFHSA-N 1 1 398.526 4.394 40 0 GIABMO CN(C(=O)c1ncc2n1CCC[C@H]2[N@@H+](C)Cc1cccc(F)c1)C1CCCCC1 ZINC000306136392 212050892 /nfs/dbraw/zinc/05/08/92/212050892.db2.gz PSHIGABFRAITIV-HXUWFJFHSA-N 1 1 398.526 4.394 40 0 GIABMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)s1 ZINC000306131081 212049804 /nfs/dbraw/zinc/04/98/04/212049804.db2.gz JVYXNAJAEQDNCF-SFTDATJTSA-N 1 1 395.503 4.079 40 0 GIABMO O=C1CC[C@]2(c3ccccc3)CC[N@@H+](CCc3ccccc3)[C@@H]2CN1CC1CC1 ZINC000306133353 212048792 /nfs/dbraw/zinc/04/87/92/212048792.db2.gz MJGVWLOSQSUSOC-AOYPEHQESA-N 1 1 388.555 4.274 40 0 GIABMO O=C(c1ccsc1)N1C[C@@]2(CC[N@@H+](Cc3cccs3)C2)c2ncccc21 ZINC000306128421 212047491 /nfs/dbraw/zinc/04/74/91/212047491.db2.gz GZVQCSLJLJLTOV-FQEVSTJZSA-N 1 1 381.526 4.009 40 0 GIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccco5)C4)nn3c2)c1 ZINC000306126697 212044289 /nfs/dbraw/zinc/04/42/89/212044289.db2.gz FCLXPJWTBGDZTN-LJQANCHMSA-N 1 1 388.471 4.378 40 0 GIABMO O=C1N(CC2CCC2)CC[C@@]12C[N@@H+](CC1CCCCC1)C[C@H]2c1nccs1 ZINC000306126724 212045109 /nfs/dbraw/zinc/04/51/09/212045109.db2.gz FDGVIMMZGCUODC-UGKGYDQZSA-N 1 1 387.593 4.141 40 0 GIABMO Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)s1 ZINC000306124854 212044673 /nfs/dbraw/zinc/04/46/73/212044673.db2.gz CAVLLZBYLZYSOD-OALUTQOASA-N 1 1 383.542 4.001 40 0 GIABMO Cc1ccc(C(=O)CCC[N@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000257296548 212020300 /nfs/dbraw/zinc/02/03/00/212020300.db2.gz RDHLMJGVOHIQGZ-HXUWFJFHSA-N 1 1 375.472 4.497 40 0 GIABMO CC(C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C2CC2)[nH+]1 ZINC000329016449 209158224 /nfs/dbraw/zinc/15/82/24/209158224.db2.gz NGPQHERDIATEJJ-UHFFFAOYSA-N 1 1 387.325 4.500 40 0 GIABMO CC(C)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C2CC2)n1 ZINC000329016449 209158227 /nfs/dbraw/zinc/15/82/27/209158227.db2.gz NGPQHERDIATEJJ-UHFFFAOYSA-N 1 1 387.325 4.500 40 0 GIABMO Cc1cccc(C(=O)N2[C@@H]3CCC[C@@H]4[N@@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n1 ZINC000257252406 212011410 /nfs/dbraw/zinc/01/14/10/212011410.db2.gz JURMRJMGCARUNB-WHGMEAMLSA-N 1 1 389.543 4.089 40 0 GIABMO CC(C)C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000257230947 212007673 /nfs/dbraw/zinc/00/76/73/212007673.db2.gz GEOXTQKZELSMSW-IBGZPJMESA-N 1 1 397.441 4.079 40 0 GIABMO CC(C)C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000257230947 212007678 /nfs/dbraw/zinc/00/76/78/212007678.db2.gz GEOXTQKZELSMSW-IBGZPJMESA-N 1 1 397.441 4.079 40 0 GIABMO CC(C)C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000257230948 212007027 /nfs/dbraw/zinc/00/70/27/212007027.db2.gz GEOXTQKZELSMSW-LJQANCHMSA-N 1 1 397.441 4.079 40 0 GIABMO CC(C)C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000257230948 212007031 /nfs/dbraw/zinc/00/70/31/212007031.db2.gz GEOXTQKZELSMSW-LJQANCHMSA-N 1 1 397.441 4.079 40 0 GIABMO Cc1noc(C)c1-c1cc(C[C@@H]2CCC[N@@H+](Cc3nccs3)CC2)ncn1 ZINC000257218701 212005424 /nfs/dbraw/zinc/00/54/24/212005424.db2.gz DEEFWJLPOXCNDK-MRXNPFEDSA-N 1 1 383.521 4.050 40 0 GIABMO CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328978779 209154305 /nfs/dbraw/zinc/15/43/05/209154305.db2.gz GAZCENNCOUOVTM-LJQANCHMSA-N 1 1 388.943 4.245 40 0 GIABMO CC(C)[C@H](CO)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C2CC2)[nH+]1 ZINC000328970328 209154329 /nfs/dbraw/zinc/15/43/29/209154329.db2.gz DIWRCCJBQGRHPK-FQEVSTJZSA-N 1 1 380.536 4.081 40 0 GIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 ZINC000224190738 211856168 /nfs/dbraw/zinc/85/61/68/211856168.db2.gz QRLZEZSYTHIGEU-UHFFFAOYSA-N 1 1 383.879 4.010 40 0 GIABMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)NC4CCCCC4)C3)C2)c1 ZINC000096215706 211318965 /nfs/dbraw/zinc/31/89/65/211318965.db2.gz PHPWCYZUMYYRTL-HSZRJFAPSA-N 1 1 385.552 4.025 40 0 GIABMO C[C@@H](c1nc2ccccc2n1CC(=O)N(C)c1ccccc1)[NH+]1CCCCC1 ZINC000076556422 211127507 /nfs/dbraw/zinc/12/75/07/211127507.db2.gz ISWBVDAKALRTEK-SFHVURJKSA-N 1 1 376.504 4.246 40 0 GIABMO CCn1ccnc1C[N@@H+]1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370496 211103886 /nfs/dbraw/zinc/10/38/86/211103886.db2.gz VGBXSTUSVVVWST-INIZCTEOSA-N 1 1 396.560 4.075 40 0 GIABMO CCn1ccnc1C[N@H+]1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NC ZINC000072370496 211103889 /nfs/dbraw/zinc/10/38/89/211103889.db2.gz VGBXSTUSVVVWST-INIZCTEOSA-N 1 1 396.560 4.075 40 0 GIABMO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370650 211103621 /nfs/dbraw/zinc/10/36/21/211103621.db2.gz QTLLLPDIZIHPTE-MRXNPFEDSA-N 1 1 396.560 4.314 40 0 GIABMO CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ncc[nH]1 ZINC000072370650 211103623 /nfs/dbraw/zinc/10/36/23/211103623.db2.gz QTLLLPDIZIHPTE-MRXNPFEDSA-N 1 1 396.560 4.314 40 0 GIABMO C[N@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NC4CCCCC4)CCOCC3)c2)C1 ZINC000072372248 211103371 /nfs/dbraw/zinc/10/33/71/211103371.db2.gz ARMOZYVENJUXCO-JOCHJYFZSA-N 1 1 398.591 4.284 40 0 GIABMO CC(C)C[N@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371205 211102681 /nfs/dbraw/zinc/10/26/81/211102681.db2.gz FTXXCQUWNPWJJH-HNNXBMFYSA-N 1 1 381.442 4.495 40 0 GIABMO CC(C)C[N@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371205 211102669 /nfs/dbraw/zinc/10/26/69/211102669.db2.gz FTXXCQUWNPWJJH-HNNXBMFYSA-N 1 1 381.442 4.495 40 0 GIABMO CC(C)C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371205 211102675 /nfs/dbraw/zinc/10/26/75/211102675.db2.gz FTXXCQUWNPWJJH-HNNXBMFYSA-N 1 1 381.442 4.495 40 0 GIABMO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)c(C)n1 ZINC000072375415 211105735 /nfs/dbraw/zinc/10/57/35/211105735.db2.gz WTSWGZZFODQMRZ-GOSISDBHSA-N 1 1 382.537 4.452 40 0 GIABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)c(C)n1 ZINC000072375415 211105741 /nfs/dbraw/zinc/10/57/41/211105741.db2.gz WTSWGZZFODQMRZ-GOSISDBHSA-N 1 1 382.537 4.452 40 0 GIABMO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)n1 ZINC000072376213 211105576 /nfs/dbraw/zinc/10/55/76/211105576.db2.gz RGKJLEOFXQDFHG-IBGZPJMESA-N 1 1 378.455 4.103 40 0 GIABMO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)n1 ZINC000072376213 211105580 /nfs/dbraw/zinc/10/55/80/211105580.db2.gz RGKJLEOFXQDFHG-IBGZPJMESA-N 1 1 378.455 4.103 40 0 GIABMO Cc1c(C[N@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cnn1C ZINC000072374947 211105212 /nfs/dbraw/zinc/10/52/12/211105212.db2.gz JIVPRNKSQXRSCK-LJQANCHMSA-N 1 1 390.535 4.259 40 0 GIABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3ccccn3)C2)[nH]n1 ZINC000072378130 211104827 /nfs/dbraw/zinc/10/48/27/211104827.db2.gz XKTBJQHJCVJQJB-INIZCTEOSA-N 1 1 382.895 4.069 40 0 GIABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3ccccn3)C2)n[nH]1 ZINC000072378130 211104829 /nfs/dbraw/zinc/10/48/29/211104829.db2.gz XKTBJQHJCVJQJB-INIZCTEOSA-N 1 1 382.895 4.069 40 0 GIABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3ccccn3)C2)n[nH]1 ZINC000072378130 211104832 /nfs/dbraw/zinc/10/48/32/211104832.db2.gz XKTBJQHJCVJQJB-INIZCTEOSA-N 1 1 382.895 4.069 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ccc(C)cn3)n2)cc1 ZINC000072377435 211104288 /nfs/dbraw/zinc/10/42/88/211104288.db2.gz FMLDQSLNVMITFQ-HXUWFJFHSA-N 1 1 375.476 4.269 40 0 GIABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072345977 211095650 /nfs/dbraw/zinc/09/56/50/211095650.db2.gz IWVPEOKCDLJTRC-MRXNPFEDSA-N 1 1 379.895 4.154 40 0 GIABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072348757 211095471 /nfs/dbraw/zinc/09/54/71/211095471.db2.gz DSHFNVPNZKRIKI-NRFANRHFSA-N 1 1 379.548 4.029 40 0 GIABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCCCC1 ZINC000072348705 211094760 /nfs/dbraw/zinc/09/47/60/211094760.db2.gz HEMPGLHWRWEBPJ-HXUWFJFHSA-N 1 1 395.522 4.003 40 0 GIABMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359137 211100929 /nfs/dbraw/zinc/10/09/29/211100929.db2.gz QUWVAQQXKPNLFM-KRWDZBQOSA-N 1 1 381.911 4.393 40 0 GIABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359137 211100933 /nfs/dbraw/zinc/10/09/33/211100933.db2.gz QUWVAQQXKPNLFM-KRWDZBQOSA-N 1 1 381.911 4.393 40 0 GIABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1)N1CCCC1 ZINC000072348789 211095794 /nfs/dbraw/zinc/09/57/94/211095794.db2.gz WLSNJNQTYVGSHD-IBGZPJMESA-N 1 1 397.950 4.128 40 0 GIABMO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1CC[N@H+](C)C1CCCC1 ZINC000019719656 210288403 /nfs/dbraw/zinc/28/84/03/210288403.db2.gz PVVQLIVFRDJNMB-UHFFFAOYSA-N 1 1 381.499 4.366 40 0 GIABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@@H+]3Cc3ccncc3)[nH]n2)cc1F ZINC000019703673 210284184 /nfs/dbraw/zinc/28/41/84/210284184.db2.gz ZFCWYATZGDQQGN-NRFANRHFSA-N 1 1 384.430 4.042 40 0 GIABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccncc3)[nH]n2)cc1F ZINC000019703673 210284188 /nfs/dbraw/zinc/28/41/88/210284188.db2.gz ZFCWYATZGDQQGN-NRFANRHFSA-N 1 1 384.430 4.042 40 0 GIABMO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@@H]1c1ccc(-c2cnn(C)c2)cn1 ZINC000019688920 210281486 /nfs/dbraw/zinc/28/14/86/210281486.db2.gz ZVZDIPNKUHQWBV-OAQYLSRUSA-N 1 1 386.503 4.084 40 0 GIABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](C2CCCC2)C3)cc1 ZINC000096111877 560061045 /nfs/dbraw/zinc/06/10/45/560061045.db2.gz LISBRHVXDUVUJO-UNMCSNQZSA-N 1 1 392.499 4.006 40 0 biogenic,in-vitro GIABMO c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1 ZINC000035426325 560080662 /nfs/dbraw/zinc/08/06/62/560080662.db2.gz LIVYOJDPWSEUHC-IBGZPJMESA-N 1 1 375.476 4.069 40 0 biogenic,in-vitro GIABMO c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1 ZINC000035426325 560080663 /nfs/dbraw/zinc/08/06/63/560080663.db2.gz LIVYOJDPWSEUHC-IBGZPJMESA-N 1 1 375.476 4.069 40 0 biogenic,in-vitro GIABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)o2)cc1 ZINC000049170185 560084625 /nfs/dbraw/zinc/08/46/25/560084625.db2.gz ACEFYDIJMGFMDI-KRWDZBQOSA-N 1 1 382.895 4.446 40 0 biogenic,in-vitro GIABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)o2)cc1 ZINC000049170199 560084681 /nfs/dbraw/zinc/08/46/81/560084681.db2.gz OZPHXRIGGKUSDG-INIZCTEOSA-N 1 1 384.430 4.070 40 0 biogenic,in-vitro GIABMO CC(C)[N@H+]1CCC[C@H](c2cnc(Nc3ncc(-c4ccccc4)s3)cn2)C1 ZINC000585263142 570231491 /nfs/dbraw/zinc/23/14/91/570231491.db2.gz OMIVFWZLQDRMJX-KRWDZBQOSA-N 1 1 379.533 4.353 40 0 GIABMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c[nH+]c(N3CCCCC3)cc2C)cc1 ZINC000072219230 570318252 /nfs/dbraw/zinc/31/82/52/570318252.db2.gz IUIGOTRLYZFVIT-NRFANRHFSA-N 1 1 399.560 4.215 40 0 GIABMO [NH3+][C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227328 570318918 /nfs/dbraw/zinc/31/89/18/570318918.db2.gz ZHVYVMWKQMDEFG-ZIAGYGMSSA-N 1 1 386.076 4.171 40 0 GIABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227822 570319298 /nfs/dbraw/zinc/31/92/98/570319298.db2.gz VEVFCEWGFLLVMR-UONOGXRCSA-N 1 1 375.177 4.427 40 0 GIABMO CC[NH+](CC)CCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022075102 570321376 /nfs/dbraw/zinc/32/13/76/570321376.db2.gz NUMDAVOULSVITN-UHFFFAOYSA-N 1 1 376.928 4.359 40 0 GIABMO O=C(c1cccc(OCc2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000218976133 570344946 /nfs/dbraw/zinc/34/49/46/570344946.db2.gz QRFUUDVMHLKPHH-UHFFFAOYSA-N 1 1 386.495 4.224 40 0 GIABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)C(F)(F)F ZINC000057316813 570358028 /nfs/dbraw/zinc/35/80/28/570358028.db2.gz CASUCYMGEJKASI-UHFFFAOYSA-N 1 1 397.828 4.163 40 0 GIABMO COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1 ZINC000035289832 570455525 /nfs/dbraw/zinc/45/55/25/570455525.db2.gz VEAQXSPTSKUZFS-SEJPIABJSA-N 1 1 382.479 4.150 40 0 GIABMO CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)no2)cc1 ZINC000028296151 570457668 /nfs/dbraw/zinc/45/76/68/570457668.db2.gz GXAMKQUGPZILPI-LJQANCHMSA-N 1 1 397.475 4.002 40 0 GIABMO O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223625337 570474971 /nfs/dbraw/zinc/47/49/71/570474971.db2.gz KOTXPPKEPULCFO-KRWDZBQOSA-N 1 1 396.491 4.195 40 0 GIABMO CCc1ccc(CC)c(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224015850 570494549 /nfs/dbraw/zinc/49/45/49/570494549.db2.gz WEYKWPKDKZWBNJ-NRFANRHFSA-N 1 1 382.523 4.479 40 0 GIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCN3CCc4ccccc43)cc2)C1 ZINC000030862479 570499528 /nfs/dbraw/zinc/49/95/28/570499528.db2.gz LPZQWJMJRLLKFN-HXUWFJFHSA-N 1 1 391.559 4.101 40 0 GIABMO O=C(NCC1CCCCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224548490 570517845 /nfs/dbraw/zinc/51/78/45/570517845.db2.gz FJEVZBQIDOWADE-UHFFFAOYSA-N 1 1 393.369 4.358 40 0 GIABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000224707616 570525991 /nfs/dbraw/zinc/52/59/91/570525991.db2.gz RKHANZIGPLQKHK-UHFFFAOYSA-N 1 1 386.495 4.116 40 0 GIABMO O=c1c(C[N@@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)coc2ccccc12 ZINC000036740220 570568736 /nfs/dbraw/zinc/56/87/36/570568736.db2.gz WJYWOPRCOMXPEA-IBGZPJMESA-N 1 1 377.488 4.238 40 0 GIABMO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038834616 570585813 /nfs/dbraw/zinc/58/58/13/570585813.db2.gz DVNVCUCLXOXBLM-KRWDZBQOSA-N 1 1 380.488 4.348 40 0 GIABMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000038857657 570588375 /nfs/dbraw/zinc/58/83/75/570588375.db2.gz BRLSGAZOWKHKTB-KRWDZBQOSA-N 1 1 385.895 4.149 40 0 GIABMO COC1(C(=O)Nc2ccc(OCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCC1 ZINC000225628486 570596154 /nfs/dbraw/zinc/59/61/54/570596154.db2.gz QAQKEYIQBOVOMN-KDURUIRLSA-N 1 1 388.552 4.331 40 0 GIABMO CCn1c2ccccc2nc1C[N@@H+](CCCn1ccnc1)Cc1ccc(F)cc1 ZINC000043277676 570626237 /nfs/dbraw/zinc/62/62/37/570626237.db2.gz SBXLXGLYRQIWRM-UHFFFAOYSA-N 1 1 391.494 4.484 40 0 GIABMO CN(CCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000044916938 570643381 /nfs/dbraw/zinc/64/33/81/570643381.db2.gz BAYYLAZMOHYGTM-UHFFFAOYSA-N 1 1 399.538 4.111 40 0 GIABMO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[N@H+]2CCCC[C@H]2CC)c1 ZINC000260732812 570701134 /nfs/dbraw/zinc/70/11/34/570701134.db2.gz BPZLRJJLVIASQI-GOSISDBHSA-N 1 1 391.581 4.113 40 0 GIABMO Oc1ccc(-c2n[nH]cc2C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000057811156 570704273 /nfs/dbraw/zinc/70/42/73/570704273.db2.gz LGHPRDJYWANGFT-NRFANRHFSA-N 1 1 381.451 4.103 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)c(C)c1C ZINC000012734509 570706693 /nfs/dbraw/zinc/70/66/93/570706693.db2.gz DVNFXTUUSJQSOK-IRLDBZIGSA-N 1 1 396.506 4.188 40 0 GIABMO CO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260816734 570707183 /nfs/dbraw/zinc/70/71/83/570707183.db2.gz PBHMGWBUHIJJRX-SFYKDHMMSA-N 1 1 388.552 4.331 40 0 GIABMO CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818216 570708547 /nfs/dbraw/zinc/70/85/47/570708547.db2.gz XXOMUBTYGMDQDR-PGRDOPGGSA-N 1 1 376.541 4.331 40 0 GIABMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000189097885 570923643 /nfs/dbraw/zinc/92/36/43/570923643.db2.gz DPSANSQLCZXYRN-UHFFFAOYSA-N 1 1 378.850 4.147 40 0 GIABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)c2cc(Cl)ccc2F)C3)s1 ZINC000585101768 570927414 /nfs/dbraw/zinc/92/74/14/570927414.db2.gz FDLJBBDBYHBSCX-IBGZPJMESA-N 1 1 393.915 4.125 40 0 GIABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)c2cc(Cl)ccc2F)C3)s1 ZINC000585101768 570927416 /nfs/dbraw/zinc/92/74/16/570927416.db2.gz FDLJBBDBYHBSCX-IBGZPJMESA-N 1 1 393.915 4.125 40 0 GIABMO Cc1c(C[N@@H+]2CC[C@H](c3cc(COc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000019704540 818601702 /nfs/dbraw/zinc/60/17/02/818601702.db2.gz ADOXTCQPSRGSDD-IBGZPJMESA-N 1 1 393.535 4.144 40 0 GIABMO Cc1c(C[N@H+]2CC[C@H](c3cc(COc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000019704540 818601710 /nfs/dbraw/zinc/60/17/10/818601710.db2.gz ADOXTCQPSRGSDD-IBGZPJMESA-N 1 1 393.535 4.144 40 0 GIABMO Cc1c(C[N@@H+]2CC[C@H](c3cc(COc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000019704540 818601718 /nfs/dbraw/zinc/60/17/18/818601718.db2.gz ADOXTCQPSRGSDD-IBGZPJMESA-N 1 1 393.535 4.144 40 0 GIABMO Cc1nc(CC(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@@H+]3C)cs1 ZINC000019713080 818603322 /nfs/dbraw/zinc/60/33/22/818603322.db2.gz LUUIJNZTDCDEFA-VSKRKVRLSA-N 1 1 397.588 4.081 40 0 GIABMO Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044852668 821672996 /nfs/dbraw/zinc/67/29/96/821672996.db2.gz JNUPAPYDKZPHKK-ICSRJNTNSA-N 1 1 380.532 4.424 40 0 GIABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019568923 210266755 /nfs/dbraw/zinc/26/67/55/210266755.db2.gz GCPGQYKPYDDFJR-AWEZNQCLSA-N 1 1 376.382 4.325 40 0 GIABMO Cc1cc(C)c(-n2cccn2)c(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)c1 ZINC000019566886 210266334 /nfs/dbraw/zinc/26/63/34/210266334.db2.gz CQHBKYYXNGZONZ-QFIPXVFZSA-N 1 1 376.504 4.065 40 0 GIABMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2-c2onc(C)c2C)c1OC ZINC000019557991 210264387 /nfs/dbraw/zinc/26/43/87/210264387.db2.gz OMFLYZHFUFNUTJ-SFHVURJKSA-N 1 1 396.491 4.426 40 0 GIABMO COc1cccc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2-c2onc(C)c2C)c1OC ZINC000019557991 210264392 /nfs/dbraw/zinc/26/43/92/210264392.db2.gz OMFLYZHFUFNUTJ-SFHVURJKSA-N 1 1 396.491 4.426 40 0 GIABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019401603 210248976 /nfs/dbraw/zinc/24/89/76/210248976.db2.gz HSJBNFIRQNEHMC-RDPSFJRHSA-N 1 1 392.547 4.126 40 0 GIABMO O=C(c1cccc(Br)c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000408612405 231079695 /nfs/dbraw/zinc/07/96/95/231079695.db2.gz VTDVOOCJLUBYLR-UHFFFAOYSA-N 1 1 399.332 4.112 40 0 GIABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C1CCC1 ZINC000019400539 210245677 /nfs/dbraw/zinc/24/56/77/210245677.db2.gz HKHIBFGKJVGZOA-XMSQKQJNSA-N 1 1 399.485 4.229 40 0 GIABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 ZINC000019210349 210231697 /nfs/dbraw/zinc/23/16/97/210231697.db2.gz GPIZGTTWUYQPAA-FKBYEOEOSA-N 1 1 380.557 4.283 40 0 GIABMO COc1cc(C[NH2+][C@H](c2ccc(C)cc2)c2cccnc2)cc2c1OCCO2 ZINC000019136781 210229313 /nfs/dbraw/zinc/22/93/13/210229313.db2.gz GAYKTLAZRUCFPO-JOCHJYFZSA-N 1 1 376.456 4.049 40 0 GIABMO COc1cc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc(OC)c1 ZINC000019120890 210227606 /nfs/dbraw/zinc/22/76/06/210227606.db2.gz LJVHYQDSDOYAAZ-LJQANCHMSA-N 1 1 382.464 4.118 40 0 GIABMO COc1cc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc(OC)c1 ZINC000019120890 210227609 /nfs/dbraw/zinc/22/76/09/210227609.db2.gz LJVHYQDSDOYAAZ-LJQANCHMSA-N 1 1 382.464 4.118 40 0 GIABMO C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1OC)Cc1ccccc1O2 ZINC000019134147 210227407 /nfs/dbraw/zinc/22/74/07/210227407.db2.gz COGJYTNFTPCMHZ-UHFFFAOYSA-N 1 1 380.532 4.299 40 0 GIABMO Cc1cc2sc(NC(=O)C[NH+]3CCCCCC3)nc2c(Br)c1 ZINC000016740506 210194635 /nfs/dbraw/zinc/19/46/35/210194635.db2.gz ZVYXRZAXLDWKGL-UHFFFAOYSA-N 1 1 382.327 4.182 40 0 GIABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCC(=O)N1c3ccccc3Sc3ccccc31)C2 ZINC000016248953 210187594 /nfs/dbraw/zinc/18/75/94/210187594.db2.gz MNQJAPRDZQBWJP-ALOPSCKCSA-N 1 1 379.529 4.031 40 0 GIABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)s1 ZINC000306141947 212054645 /nfs/dbraw/zinc/05/46/45/212054645.db2.gz WLBNUGDNTCPGND-SFHVURJKSA-N 1 1 375.501 4.151 40 0 GIABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)s1 ZINC000306140745 212053520 /nfs/dbraw/zinc/05/35/20/212053520.db2.gz VCYDAHJYOXLVIX-QGZVFWFLSA-N 1 1 381.549 4.079 40 0 GIABMO Cc1ccsc1C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 ZINC000306138540 212053353 /nfs/dbraw/zinc/05/33/53/212053353.db2.gz SAEPEBHZLZEPOC-VQTJNVASSA-N 1 1 395.503 4.079 40 0 GIABMO Clc1ccc(C[N@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306140757 212052311 /nfs/dbraw/zinc/05/23/11/212052311.db2.gz VDGBNSXYVJYTLP-QHCPKHFHSA-N 1 1 390.918 4.294 40 0 GIABMO CCN1Cc2c(-c3ccccc3)ncn2[C@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000306134899 212051331 /nfs/dbraw/zinc/05/13/31/212051331.db2.gz OBBPOBKWEQMRPP-HSZRJFAPSA-N 1 1 392.572 4.438 40 0 GIABMO Cc1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)s1 ZINC000306140744 212053994 /nfs/dbraw/zinc/05/39/94/212053994.db2.gz VCYDAHJYOXLVIX-KRWDZBQOSA-N 1 1 381.549 4.079 40 0 GIABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2N1Cc1cccs1 ZINC000306130390 212046674 /nfs/dbraw/zinc/04/66/74/212046674.db2.gz JETNDUFLAOUMLD-UXHICEINSA-N 1 1 397.931 4.285 40 0 GIABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2N1Cc1cccs1 ZINC000306130390 212046677 /nfs/dbraw/zinc/04/66/77/212046677.db2.gz JETNDUFLAOUMLD-UXHICEINSA-N 1 1 397.931 4.285 40 0 GIABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](CC4CC4)C3)nn2c1 ZINC000306132111 212049445 /nfs/dbraw/zinc/04/94/45/212049445.db2.gz KYSVSRYEMAUVHB-KRWDZBQOSA-N 1 1 380.467 4.133 40 0 GIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](CC5CC5)C4)nn3c2)c1OC ZINC000306129412 212046573 /nfs/dbraw/zinc/04/65/73/212046573.db2.gz ICFBBGXGEFOIKR-SFHVURJKSA-N 1 1 392.503 4.003 40 0 GIABMO O=C1N(CC2CCC2)CC[C@]12C[N@@H+](CC1CCCCC1)C[C@H]2c1nccs1 ZINC000306126723 212044745 /nfs/dbraw/zinc/04/47/45/212044745.db2.gz FDGVIMMZGCUODC-SIKLNZKXSA-N 1 1 387.593 4.141 40 0 GIABMO C[N@@H+](Cc1cc(Cl)ccc1OCc1ccccc1)[C@@H]1CCCC[C@@H](O)[C@@H]1O ZINC000257339522 212028040 /nfs/dbraw/zinc/02/80/40/212028040.db2.gz ZCBONJBCPSJNFC-KCZVDYSFSA-N 1 1 389.923 4.015 40 0 GIABMO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@@H+]2C ZINC000257308190 212021423 /nfs/dbraw/zinc/02/14/23/212021423.db2.gz TVTXGBWYWRONDF-UWJYYQICSA-N 1 1 387.524 4.347 40 0 GIABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)Cc3cccnc3)[C@H](c3ccccc3)C[C@@]21C ZINC000257296100 212020670 /nfs/dbraw/zinc/02/06/70/212020670.db2.gz RBFYGCSMQFBFOJ-FIXSFTCYSA-N 1 1 377.532 4.231 40 0 GIABMO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257296476 212019438 /nfs/dbraw/zinc/01/94/38/212019438.db2.gz RDADVPJHYCFJEX-AVRDEDQJSA-N 1 1 383.561 4.131 40 0 GIABMO CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(-n5cc[nH+]c5C)cc4)OCC[C@@]31C2 ZINC000257285286 212018065 /nfs/dbraw/zinc/01/80/65/212018065.db2.gz PGLJAJQPVNVTPN-UVFBAWLLSA-N 1 1 393.531 4.199 40 0 GIABMO CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329020812 209158361 /nfs/dbraw/zinc/15/83/61/209158361.db2.gz OCXGISVQJHUTMF-UHFFFAOYSA-N 1 1 378.398 4.247 40 0 GIABMO CC[C@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C2CC2)[nH+]1 ZINC000329050609 209159737 /nfs/dbraw/zinc/15/97/37/209159737.db2.gz UTRQAQLKPFUOCD-AWEZNQCLSA-N 1 1 382.508 4.144 40 0 GIABMO CC[C@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)[nH+]c(C2CC2)n1 ZINC000329050609 209159740 /nfs/dbraw/zinc/15/97/40/209159740.db2.gz UTRQAQLKPFUOCD-AWEZNQCLSA-N 1 1 382.508 4.144 40 0 GIABMO CC(C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329035417 209157676 /nfs/dbraw/zinc/15/76/76/209157676.db2.gz REKQUNAKLLAGSC-UHFFFAOYSA-N 1 1 387.325 4.500 40 0 GIABMO CC(C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329035417 209157680 /nfs/dbraw/zinc/15/76/80/209157680.db2.gz REKQUNAKLLAGSC-UHFFFAOYSA-N 1 1 387.325 4.500 40 0 GIABMO Cc1nc(NC2CCCCC2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000329038083 209157141 /nfs/dbraw/zinc/15/71/41/209157141.db2.gz RRAQKNPGDPTMBY-UHFFFAOYSA-N 1 1 380.536 4.320 40 0 GIABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1 ZINC000225589908 211908155 /nfs/dbraw/zinc/90/81/55/211908155.db2.gz VGXPSCHHYXVIJR-GFCCVEGCSA-N 1 1 379.715 4.106 40 0 GIABMO CC(C)Sc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)s1 ZINC000224679080 211868951 /nfs/dbraw/zinc/86/89/51/211868951.db2.gz WFSCKFBRDISQBH-CQSZACIVSA-N 1 1 394.541 4.028 40 0 GIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)C1 ZINC000224333027 211859282 /nfs/dbraw/zinc/85/92/82/211859282.db2.gz HAGCZBGIJQZVLJ-QGZVFWFLSA-N 1 1 386.923 4.381 40 0 GIABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(F)cc1F ZINC000222966714 211817019 /nfs/dbraw/zinc/81/70/19/211817019.db2.gz NRTSWKAPZZDLTH-UHFFFAOYSA-N 1 1 375.806 4.398 40 0 GIABMO Clc1cccc(Cl)c1CN(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000013989989 211701518 /nfs/dbraw/zinc/70/15/18/211701518.db2.gz ZEELQAGXYHZQOC-UHFFFAOYSA-N 1 1 394.346 4.113 40 0 GIABMO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC000096316422 211333784 /nfs/dbraw/zinc/33/37/84/211333784.db2.gz GUMLCSIEVNHVBR-JXALWOEJSA-N 1 1 377.484 4.355 40 0 biogenic,in-vitro GIABMO CC[C@@H]1[C@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000073316018 211126350 /nfs/dbraw/zinc/12/63/50/211126350.db2.gz UWMPNVWZHCIJMI-NZCIYTFRSA-N 1 1 397.471 4.102 40 0 GIABMO COc1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)n[nH]2)c1 ZINC000072371212 211103072 /nfs/dbraw/zinc/10/30/72/211103072.db2.gz JSOAMIPFZRMPQF-SFHVURJKSA-N 1 1 395.478 4.168 40 0 GIABMO COc1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)[nH]n2)c1 ZINC000072371212 211103059 /nfs/dbraw/zinc/10/30/59/211103059.db2.gz JSOAMIPFZRMPQF-SFHVURJKSA-N 1 1 395.478 4.168 40 0 GIABMO COc1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)n[nH]2)c1 ZINC000072371212 211103065 /nfs/dbraw/zinc/10/30/65/211103065.db2.gz JSOAMIPFZRMPQF-SFHVURJKSA-N 1 1 395.478 4.168 40 0 GIABMO COc1ccc(CC[N@H+]2CCC[C@H]2c2cc(Nc3cnccn3)cc(C)n2)cc1 ZINC000072372522 211102428 /nfs/dbraw/zinc/10/24/28/211102428.db2.gz UAMUIJZBQZUMDU-QFIPXVFZSA-N 1 1 389.503 4.312 40 0 GIABMO CC(C)C[N@H+]1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370627 211102009 /nfs/dbraw/zinc/10/20/09/211102009.db2.gz MXYCVQJJKIINEH-QGZVFWFLSA-N 1 1 388.577 4.067 40 0 GIABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+](Cc4ccncc4C)C3)cc2n1 ZINC000072397146 211112434 /nfs/dbraw/zinc/11/24/34/211112434.db2.gz WKOGRIRKJPVJOI-INIZCTEOSA-N 1 1 389.425 4.140 40 0 GIABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(C)c3C)C[C@H]2c2cc[nH]n2)cc1 ZINC000072395167 211110174 /nfs/dbraw/zinc/11/01/74/211110174.db2.gz ALILCQPQLWTVDL-FCHUYYIVSA-N 1 1 391.515 4.427 40 0 GIABMO Cc1cnc(Nc2cc(C[C@H]3CCC[N@@H+](Cc4cccnc4)C3)nc(C)n2)s1 ZINC000072383469 211108504 /nfs/dbraw/zinc/10/85/04/211108504.db2.gz JKJCJYLLHJWECH-QGZVFWFLSA-N 1 1 394.548 4.143 40 0 GIABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)c1C ZINC000072376056 211106596 /nfs/dbraw/zinc/10/65/96/211106596.db2.gz OVBWOZOZSGZAGS-LJQANCHMSA-N 1 1 390.535 4.433 40 0 GIABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000072330384 211092296 /nfs/dbraw/zinc/09/22/96/211092296.db2.gz ZKHZGQPOXIOMLL-RDPSFJRHSA-N 1 1 395.547 4.206 40 0 GIABMO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000072354660 211098691 /nfs/dbraw/zinc/09/86/91/211098691.db2.gz YRSCOIJVBFBCDP-SFHVURJKSA-N 1 1 399.420 4.477 40 0 GIABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)no1 ZINC000072351299 211097659 /nfs/dbraw/zinc/09/76/59/211097659.db2.gz HLQONTWBZHGQLR-KRWDZBQOSA-N 1 1 385.483 4.256 40 0 GIABMO COc1ccc(CC[N@H+]2CC[C@@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000072352213 211097503 /nfs/dbraw/zinc/09/75/03/211097503.db2.gz RIAPUAYIJQXRRT-MRXNPFEDSA-N 1 1 380.513 4.041 40 0 GIABMO CCn1cc(C[N@H+]2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353379 211097390 /nfs/dbraw/zinc/09/73/90/211097390.db2.gz JNBDGUIGMPNOLP-LJQANCHMSA-N 1 1 376.508 4.125 40 0 GIABMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350022 211096690 /nfs/dbraw/zinc/09/66/90/211096690.db2.gz BEEUTTMMFYDFTI-SFHVURJKSA-N 1 1 380.923 4.439 40 0 GIABMO Cn1ccnc1C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350022 211096696 /nfs/dbraw/zinc/09/66/96/211096696.db2.gz BEEUTTMMFYDFTI-SFHVURJKSA-N 1 1 380.923 4.439 40 0 GIABMO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350546 211096737 /nfs/dbraw/zinc/09/67/37/211096737.db2.gz BBCSDRMLUBUTCC-HXUWFJFHSA-N 1 1 375.520 4.208 40 0 GIABMO CCn1cc(C[N@H+]2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353378 211096294 /nfs/dbraw/zinc/09/62/94/211096294.db2.gz JNBDGUIGMPNOLP-IBGZPJMESA-N 1 1 376.508 4.125 40 0 GIABMO O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000021658483 210388015 /nfs/dbraw/zinc/38/80/15/210388015.db2.gz HYRUGZFISXOFHE-UHFFFAOYSA-N 1 1 385.389 4.014 40 0 GIABMO O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000021658483 210388022 /nfs/dbraw/zinc/38/80/22/210388022.db2.gz HYRUGZFISXOFHE-UHFFFAOYSA-N 1 1 385.389 4.014 40 0 GIABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020452242 210335752 /nfs/dbraw/zinc/33/57/52/210335752.db2.gz AIQQEKKEJKLENT-KRWDZBQOSA-N 1 1 380.488 4.348 40 0 GIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)C1 ZINC000020044751 210314144 /nfs/dbraw/zinc/31/41/44/210314144.db2.gz YZQXOQXIRVXFGD-GOSISDBHSA-N 1 1 391.515 4.298 40 0 GIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000019933972 210309400 /nfs/dbraw/zinc/30/94/00/210309400.db2.gz FIYKJCONABDLND-KRWDZBQOSA-N 1 1 377.488 4.388 40 0 GIABMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](Cc2cccnc2N(C)C)C1 ZINC000019715729 210287289 /nfs/dbraw/zinc/28/72/89/210287289.db2.gz KIHWBYBKYBMJGD-IBGZPJMESA-N 1 1 377.536 4.458 40 0 GIABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1c1cc(Cc2cccc(F)c2)cc(C)n1 ZINC000019690873 210281012 /nfs/dbraw/zinc/28/10/12/210281012.db2.gz IFLITPOTSFYUEE-QHCPKHFHSA-N 1 1 378.495 4.499 40 0 GIABMO C[N@H+]1CCc2nc([C@@H]3CCCCN3Cc3cccc(Cl)c3Cl)ncc2C1 ZINC000019590342 210272942 /nfs/dbraw/zinc/27/29/42/210272942.db2.gz TWDMIXIZQZHZPH-SFHVURJKSA-N 1 1 391.346 4.499 40 0 GIABMO C[C@H](O)C[N@@H+](Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185649 221164321 /nfs/dbraw/zinc/16/43/21/221164321.db2.gz KVHANYNAKMMDJV-SFHVURJKSA-N 1 1 375.468 4.465 40 0 GIABMO O[C@@H](c1cccnc1)c1ccccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000072340656 136168630 /nfs/dbraw/zinc/16/86/30/136168630.db2.gz IZQYGHWCGGMLHZ-QHCPKHFHSA-N 1 1 393.918 4.139 40 0 GIABMO C=C1[NH+]=C(SCCCC)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408985811 528730184 /nfs/dbraw/zinc/73/01/84/528730184.db2.gz BBMYSDIYPSLTGO-GOSISDBHSA-N 1 1 376.522 4.456 40 0 GIABMO CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C)n1 ZINC000328965298 529183561 /nfs/dbraw/zinc/18/35/61/529183561.db2.gz CCVHURJPEWZPAI-LBPRGKRZSA-N 1 1 375.314 4.321 40 0 GIABMO C[C@@]1(O)CC[N@@H+](CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290074 560031077 /nfs/dbraw/zinc/03/10/77/560031077.db2.gz XWBDYCNQUOBUKC-SONWIMMPSA-N 1 1 398.591 4.440 40 0 biogenic,in-vitro GIABMO C[C@@]1(O)CC[N@@H+](Cc2cccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289864 560031144 /nfs/dbraw/zinc/03/11/44/560031144.db2.gz KWJUAZKCBOYZIZ-QNWVGRARSA-N 1 1 398.572 4.121 40 0 biogenic,in-vitro GIABMO C[C@@]1(O)CC[N@@H+](CC2CCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514288709 560034044 /nfs/dbraw/zinc/03/40/44/560034044.db2.gz AOBRGGWQZMQHIB-JAXLGGSGSA-N 1 1 390.593 4.111 40 0 biogenic,in-vitro GIABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cccs5)c43)C2)cc1 ZINC000005433827 560202035 /nfs/dbraw/zinc/20/20/35/560202035.db2.gz GLVKJIKFFXVOJU-ZWKOTPCHSA-N 1 1 392.524 4.205 40 0 biogenic,in-vitro GIABMO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C[C@@]1(O)CC[C@H](c2ccccc2)CC1 ZINC000585283988 570252196 /nfs/dbraw/zinc/25/21/96/570252196.db2.gz QGWXNPPXVZAXQF-OJJQZRKESA-N 1 1 398.591 4.331 40 0 GIABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216481 570317525 /nfs/dbraw/zinc/31/75/25/570317525.db2.gz UFAMEDMPFIVVNN-IBGZPJMESA-N 1 1 388.556 4.076 40 0 GIABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Br)cc1 ZINC000072227791 570319311 /nfs/dbraw/zinc/31/93/11/570319311.db2.gz PTOCXHUOOLZTDU-KBPBESRZSA-N 1 1 386.076 4.171 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@H](c3cncc(-c4ccc(CO)cc4)n3)C2)cc1 ZINC000072359293 570339947 /nfs/dbraw/zinc/33/99/47/570339947.db2.gz KDBCUGBDQPDWBA-NRFANRHFSA-N 1 1 389.499 4.024 40 0 GIABMO OCc1ccc(-c2cncc([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)n2)cc1 ZINC000072359622 570339974 /nfs/dbraw/zinc/33/99/74/570339974.db2.gz CZEBYURZKZCNHI-HSZRJFAPSA-N 1 1 387.527 4.448 40 0 GIABMO C[NH+]1CCN(C(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408577869 570343648 /nfs/dbraw/zinc/34/36/48/570343648.db2.gz VCNZJYRVJANLII-UHFFFAOYSA-N 1 1 395.355 4.495 40 0 GIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc(OC)c(OC(C)C)c1 ZINC000022931887 570379767 /nfs/dbraw/zinc/37/97/67/570379767.db2.gz BLGBPAVHTWPNKY-QFIPXVFZSA-N 1 1 397.563 4.364 40 0 GIABMO CCOc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC000004856961 570412683 /nfs/dbraw/zinc/41/26/83/570412683.db2.gz CXCNLTYBKMCRSJ-AYHJJNSGSA-N 1 1 375.582 4.413 40 0 GIABMO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](CC[C@H](O)c2ccccc2)C[C@@H]1C ZINC000005046329 570425799 /nfs/dbraw/zinc/42/57/99/570425799.db2.gz SBMJPZHWBMSWKU-NGYIFUPDSA-N 1 1 381.516 4.301 40 0 GIABMO COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2F)C3)cc1 ZINC000035289830 570455353 /nfs/dbraw/zinc/45/53/53/570455353.db2.gz XMHFJSZNDGBRAG-YQQQUEKLSA-N 1 1 382.479 4.150 40 0 GIABMO COc1ccccc1C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1CCCCC1)C2 ZINC000035290511 570457973 /nfs/dbraw/zinc/45/79/73/570457973.db2.gz CFXQFUVMHZFLRW-SEJPIABJSA-N 1 1 385.552 4.213 40 0 GIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000006241914 570473509 /nfs/dbraw/zinc/47/35/09/570473509.db2.gz MLACCWMAUODDJB-UHFFFAOYSA-N 1 1 378.303 4.388 40 0 GIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)C1 ZINC000030860471 570499229 /nfs/dbraw/zinc/49/92/29/570499229.db2.gz XHEJWBKZMRJKJL-LJQANCHMSA-N 1 1 388.515 4.034 40 0 GIABMO C[C@H]1[C@@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000031860878 570507034 /nfs/dbraw/zinc/50/70/34/570507034.db2.gz VEINRYGCKDRNLM-MPMWTEJESA-N 1 1 380.488 4.064 40 0 GIABMO Cc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000224334491 570509637 /nfs/dbraw/zinc/50/96/37/570509637.db2.gz VJILAFUNZRSPPA-LJQANCHMSA-N 1 1 380.532 4.344 40 0 GIABMO Fc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@@H]2CCCO2)cc1 ZINC000000904214 570515525 /nfs/dbraw/zinc/51/55/25/570515525.db2.gz WSCXWBLZDGCYKX-HNNXBMFYSA-N 1 1 390.256 4.494 40 0 GIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000225480517 570578663 /nfs/dbraw/zinc/57/86/63/570578663.db2.gz FARDWQIWDTYSER-QGZVFWFLSA-N 1 1 389.499 4.143 40 0 GIABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCc2ccccc2C1 ZINC000225575952 570590359 /nfs/dbraw/zinc/59/03/59/570590359.db2.gz RRNALLFNVGGYFN-UHFFFAOYSA-N 1 1 386.898 4.276 40 0 GIABMO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225730444 570610229 /nfs/dbraw/zinc/61/02/29/570610229.db2.gz JKMRKYSZZNCFFN-PGRDOPGGSA-N 1 1 376.541 4.474 40 0 GIABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000043277822 570627012 /nfs/dbraw/zinc/62/70/12/570627012.db2.gz UQXVTKPQHHVNRA-IBGZPJMESA-N 1 1 391.515 4.308 40 0 GIABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccn2-c2ncccc2C)o1 ZINC000043277763 570627202 /nfs/dbraw/zinc/62/72/02/570627202.db2.gz GUQDFIBEHJRYSY-UHFFFAOYSA-N 1 1 389.503 4.371 40 0 GIABMO Cc1ccccc1-c1ncc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cn1 ZINC000057823242 570704505 /nfs/dbraw/zinc/70/45/05/570704505.db2.gz IDAHTKCQDKDBCS-UHFFFAOYSA-N 1 1 377.463 4.075 40 0 GIABMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1Br ZINC000004398986 570727599 /nfs/dbraw/zinc/72/75/99/570727599.db2.gz GLMCDAQNMFUABE-AYHJJNSGSA-N 1 1 399.332 4.375 40 0 GIABMO COc1ccc(CC[N@@H+](Cc2ccncc2)Cc2cccc(C)n2)cc1OC ZINC000013989528 570868430 /nfs/dbraw/zinc/86/84/30/570868430.db2.gz RYWYNLUHQYXVJD-UHFFFAOYSA-N 1 1 377.488 4.047 40 0 GIABMO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3C[C@H]3CCOC3)cc2N1 ZINC000257283059 570902637 /nfs/dbraw/zinc/90/26/37/570902637.db2.gz OWPRLUNJDLJKOA-YQFWSFKMSA-N 1 1 386.462 4.000 40 0 GIABMO O=C(c1ccc(O)cc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100336 570923836 /nfs/dbraw/zinc/92/38/36/570923836.db2.gz DHOHXGKQAOIWNR-HSZRJFAPSA-N 1 1 382.479 4.192 40 0 GIABMO Cc1ccc(C)c(C[N@@H+]2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 ZINC000585104797 570933706 /nfs/dbraw/zinc/93/37/06/570933706.db2.gz UCTLJIUXJAMCEK-PXDATVDWSA-N 1 1 392.543 4.116 40 0 GIABMO O=C(c1ccc(Cl)cc1Cl)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238892024 570981352 /nfs/dbraw/zinc/98/13/52/570981352.db2.gz QRTSJJFFMXTVQL-QGZVFWFLSA-N 1 1 375.299 4.266 40 0 GIABMO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CC[N@@H+](CC(C)(C)C)C4)ccc23)n1 ZINC000019705000 818601487 /nfs/dbraw/zinc/60/14/87/818601487.db2.gz KCHJMTBLYVYIDT-MRXNPFEDSA-N 1 1 378.524 4.109 40 0 GIABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CC[N@H+](CC(C)(C)C)C4)ccc32)n1 ZINC000019705000 818601492 /nfs/dbraw/zinc/60/14/92/818601492.db2.gz KCHJMTBLYVYIDT-MRXNPFEDSA-N 1 1 378.524 4.109 40 0 GIABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CC[N@@H+](CC(C)(C)C)C4)ccc32)n1 ZINC000019705000 818601498 /nfs/dbraw/zinc/60/14/98/818601498.db2.gz KCHJMTBLYVYIDT-MRXNPFEDSA-N 1 1 378.524 4.109 40 0 GIABMO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000036107350 821069131 /nfs/dbraw/zinc/06/91/31/821069131.db2.gz VYWLKICTLZXXAX-ROUUACIJSA-N 1 1 396.531 4.427 40 0 GIABMO Cc1nc(C)c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)s1 ZINC000019560152 210263402 /nfs/dbraw/zinc/26/34/02/210263402.db2.gz AMRTVMQMJRQYME-VAMGGRTRSA-N 1 1 383.561 4.243 40 0 GIABMO Cc1ncsc1-c1nnc([C@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)o1 ZINC000019562792 210263293 /nfs/dbraw/zinc/26/32/93/210263293.db2.gz WQYFEXMOGTXLQR-INIZCTEOSA-N 1 1 391.500 4.429 40 0 GIABMO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)no2)CC1 ZINC000019496740 210252431 /nfs/dbraw/zinc/25/24/31/210252431.db2.gz UPYGTYDIXRLNSO-GOSISDBHSA-N 1 1 385.483 4.065 40 0 GIABMO CC(C)c1cc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@H+]3C)on1 ZINC000019452932 210250289 /nfs/dbraw/zinc/25/02/89/210250289.db2.gz PJMUIHXAVIWOPK-SYYKKAFVSA-N 1 1 381.520 4.281 40 0 GIABMO O=C1CCCC[C@]2(C[N@H+](Cc3cccc(F)c3F)C[C@H]2c2ccccc2F)N1 ZINC000019368226 210244792 /nfs/dbraw/zinc/24/47/92/210244792.db2.gz QTPVHDLMUQKHQP-HTAPYJJXSA-N 1 1 388.433 4.132 40 0 GIABMO O=C1CCCC[C@]2(C[N@@H+](Cc3cccc(F)c3F)C[C@H]2c2ccccc2F)N1 ZINC000019368226 210244790 /nfs/dbraw/zinc/24/47/90/210244790.db2.gz QTPVHDLMUQKHQP-HTAPYJJXSA-N 1 1 388.433 4.132 40 0 GIABMO Clc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1Cl ZINC000019340969 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ZINC000585102276 570930585 /nfs/dbraw/zinc/93/05/85/570930585.db2.gz WASCXWRRCZLYOJ-DEOSSOPVSA-N 1 1 389.499 4.325 40 0 GIABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102276 570930587 /nfs/dbraw/zinc/93/05/87/570930587.db2.gz WASCXWRRCZLYOJ-DEOSSOPVSA-N 1 1 389.499 4.325 40 0 GIABMO c1csc(-c2cnc(N3CC[N@@H+]4CCCC[C@H]4C3)nc2-c2nccs2)c1 ZINC000019344613 818590981 /nfs/dbraw/zinc/59/09/81/818590981.db2.gz RHPXMDIASAJPPC-AWEZNQCLSA-N 1 1 383.546 4.003 40 0 GIABMO CCN(C(C)=O)[C@@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703848 818600835 /nfs/dbraw/zinc/60/08/35/818600835.db2.gz OFAJAGLXPVRXKN-QFIPXVFZSA-N 1 1 394.563 4.077 40 0 GIABMO CC[N@H+]1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 ZINC000019705430 818601552 /nfs/dbraw/zinc/60/15/52/818601552.db2.gz VFZOQWFUBHQZDM-FQEVSTJZSA-N 1 1 394.968 4.420 40 0 GIABMO CC1(C)C[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000044918291 821681043 /nfs/dbraw/zinc/68/10/43/821681043.db2.gz BFGXPLDWHHYHQE-RXVVDRJESA-N 1 1 396.506 4.456 40 0 GIABMO CC[C@@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329066136 212094869 /nfs/dbraw/zinc/09/48/69/212094869.db2.gz XXISCDNYTTVAKW-OAHLLOKOSA-N 1 1 380.536 4.355 40 0 GIABMO CC[C@@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329066136 212094872 /nfs/dbraw/zinc/09/48/72/212094872.db2.gz XXISCDNYTTVAKW-OAHLLOKOSA-N 1 1 380.536 4.355 40 0 GIABMO CC(C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329021320 212093268 /nfs/dbraw/zinc/09/32/68/212093268.db2.gz OFZKRYXRHKAUOP-UHFFFAOYSA-N 1 1 392.425 4.058 40 0 GIABMO COc1ccc(C[N@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)cc1C ZINC000012126503 221155358 /nfs/dbraw/zinc/15/53/58/221155358.db2.gz JQSMUOMEBMCVJS-UHFFFAOYSA-N 1 1 381.516 4.320 40 0 GIABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2oc3ccccc3c2C)n1 ZINC000012186016 221164121 /nfs/dbraw/zinc/16/41/21/221164121.db2.gz PVSBBYQUKPEKSK-IBGZPJMESA-N 1 1 393.487 4.211 40 0 GIABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2c(C)oc3ccccc32)n1 ZINC000012185966 221164507 /nfs/dbraw/zinc/16/45/07/221164507.db2.gz UYPYIGXAJLENNY-LJQANCHMSA-N 1 1 393.487 4.211 40 0 GIABMO Cc1[nH+]cc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(-c4cccc(C)c4)nn32)n1C ZINC000012221587 221169468 /nfs/dbraw/zinc/16/94/68/221169468.db2.gz WKMGNORSHHVILW-PGRDOPGGSA-N 1 1 398.514 4.008 40 0 GIABMO COc1ccc(C[N@H+](Cc2ccc3ccccc3n2)C[C@H]2CCCO2)cc1OC ZINC000013994188 221296101 /nfs/dbraw/zinc/29/61/01/221296101.db2.gz XGTYEMZNONMBFD-OAQYLSRUSA-N 1 1 392.499 4.433 40 0 GIABMO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@@H+](CC2CCCCC2)C1 ZINC000015675094 221338986 /nfs/dbraw/zinc/33/89/86/221338986.db2.gz RWOVCOZTRLUCOT-AEFFLSMTSA-N 1 1 393.890 4.141 40 0 biogenic,in-vitro GIABMO COc1cc(C)ccc1C[N@@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019134034 221399617 /nfs/dbraw/zinc/39/96/17/221399617.db2.gz HGNSLEBTHSBBSA-FQEVSTJZSA-N 1 1 390.487 4.288 40 0 GIABMO COc1cc(C)ccc1C[N@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019134034 221399620 /nfs/dbraw/zinc/39/96/20/221399620.db2.gz HGNSLEBTHSBBSA-FQEVSTJZSA-N 1 1 390.487 4.288 40 0 GIABMO COc1cc(C)ccc1C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C(C)=O ZINC000019134127 221399660 /nfs/dbraw/zinc/39/96/60/221399660.db2.gz DFWAZJFNTOVQKS-CQOQZXRMSA-N 1 1 396.506 4.122 40 0 GIABMO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@H+]2Cc1ccccc1Cl ZINC000019017769 221393737 /nfs/dbraw/zinc/39/37/37/221393737.db2.gz ARSDMNVIGQKISV-CEMLEFRQSA-N 1 1 386.898 4.458 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019081879 221396449 /nfs/dbraw/zinc/39/64/49/221396449.db2.gz PLQGSVHFEFTNAQ-DENIHFKCSA-N 1 1 395.547 4.206 40 0 GIABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+](CCc3ccccc3)C2)n1 ZINC000072345924 222233220 /nfs/dbraw/zinc/23/32/20/222233220.db2.gz YGVOTNAVRQLMTM-IBGZPJMESA-N 1 1 376.479 4.287 40 0 GIABMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350020 222236154 /nfs/dbraw/zinc/23/61/54/222236154.db2.gz VZAPARXRANANIE-GOSISDBHSA-N 1 1 380.923 4.439 40 0 GIABMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350020 222236155 /nfs/dbraw/zinc/23/61/55/222236155.db2.gz VZAPARXRANANIE-GOSISDBHSA-N 1 1 380.923 4.439 40 0 GIABMO CCn1ccnc1C[NH+]1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072350289 222236486 /nfs/dbraw/zinc/23/64/86/222236486.db2.gz BJOBWYHSHMUDLB-UHFFFAOYSA-N 1 1 378.495 4.408 40 0 GIABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)CC1 ZINC000072350188 222236518 /nfs/dbraw/zinc/23/65/18/222236518.db2.gz VBMRWCHMLRFRCO-GOSISDBHSA-N 1 1 381.495 4.078 40 0 GIABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cn1 ZINC000072349990 222236547 /nfs/dbraw/zinc/23/65/47/222236547.db2.gz YBNHBYYVIIZBEF-LJQANCHMSA-N 1 1 380.923 4.439 40 0 GIABMO COc1ccccc1Cc1cc(C)nc([C@H]2CCC[N@@H+](Cc3ccnn3C)C2)c1 ZINC000072354105 222237718 /nfs/dbraw/zinc/23/77/18/222237718.db2.gz BJPLGYMPCXGVLB-NRFANRHFSA-N 1 1 390.531 4.103 40 0 GIABMO COc1ccc(CC[N@H+]2CC[C@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000072352212 222238183 /nfs/dbraw/zinc/23/81/83/222238183.db2.gz RIAPUAYIJQXRRT-INIZCTEOSA-N 1 1 380.513 4.041 40 0 GIABMO COc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCOc3ccccc3)C2)c1 ZINC000072358892 222238793 /nfs/dbraw/zinc/23/87/93/222238793.db2.gz XHRYQRSKIATBFQ-FQEVSTJZSA-N 1 1 389.499 4.411 40 0 GIABMO O=C(c1ccc(Cl)cc1)N1CC[N@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355074 222239028 /nfs/dbraw/zinc/23/90/28/222239028.db2.gz NBNKAJQNIJRXFX-SFHVURJKSA-N 1 1 397.950 4.294 40 0 GIABMO Cc1ccccc1-c1cncc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000072359410 222239154 /nfs/dbraw/zinc/23/91/54/222239154.db2.gz PMWQBNINKJBHTP-UHFFFAOYSA-N 1 1 392.547 4.080 40 0 GIABMO CCn1cc(C[N@H+]2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)c(C)n1 ZINC000072374965 222243298 /nfs/dbraw/zinc/24/32/98/222243298.db2.gz YFASPTDDFOSOMR-IBGZPJMESA-N 1 1 390.535 4.433 40 0 GIABMO c1cc2cc(C[N@H+]3CCC[C@@H](c4ccnc(Nc5ccccn5)n4)C3)ccc2[nH]1 ZINC000072378105 222244308 /nfs/dbraw/zinc/24/43/08/222244308.db2.gz JFJISTCCKMNLNK-LJQANCHMSA-N 1 1 384.487 4.476 40 0 GIABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379227 222244523 /nfs/dbraw/zinc/24/45/23/222244523.db2.gz SWWYWEPPNYBDDV-GOSISDBHSA-N 1 1 394.494 4.227 40 0 GIABMO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072377239 222244893 /nfs/dbraw/zinc/24/48/93/222244893.db2.gz AASUBIBZDYZESD-LJQANCHMSA-N 1 1 392.482 4.029 40 0 GIABMO CCOc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)ccc1OC ZINC000072395184 222251332 /nfs/dbraw/zinc/25/13/32/222251332.db2.gz QATFBZBQLGDZCZ-VQTJNVASSA-N 1 1 377.488 4.200 40 0 GIABMO C[C@@H](C[N@H+]1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1)c1ccccc1 ZINC000072398556 222253487 /nfs/dbraw/zinc/25/34/87/222253487.db2.gz BIKSJRSBRCTGDK-HARLFGEKSA-N 1 1 377.532 4.165 40 0 GIABMO COc1ccc2cc(CNc3ccc([NH+]4CCC(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000013563022 537034821 /nfs/dbraw/zinc/03/48/21/537034821.db2.gz 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CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020041693 570237033 /nfs/dbraw/zinc/23/70/33/570237033.db2.gz KCCBDJRWUYMYPY-QFIPXVFZSA-N 1 1 377.488 4.271 40 0 GIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)C1 ZINC000020104295 570239745 /nfs/dbraw/zinc/23/97/45/570239745.db2.gz MPLMSIYUUIHLQX-IBGZPJMESA-N 1 1 395.522 4.020 40 0 GIABMO Cc1cc(OCC2(O)CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)cc(C)c1Cl ZINC000585271163 570239790 /nfs/dbraw/zinc/23/97/90/570239790.db2.gz SGOVHIBYPOMOFN-UHFFFAOYSA-N 1 1 399.922 4.239 40 0 GIABMO Cc1cc(C)c(C)c(OC[C@@]2(O)COCC[N@H+](C3CCC(C)(C)CC3)C2)c1 ZINC000585281793 570248155 /nfs/dbraw/zinc/24/81/55/570248155.db2.gz ASUFCNUYFCGBSL-QHCPKHFHSA-N 1 1 375.553 4.023 40 0 GIABMO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020456219 570259137 /nfs/dbraw/zinc/25/91/37/570259137.db2.gz WIFWEXWGOSIGAF-IBGZPJMESA-N 1 1 383.879 4.308 40 0 GIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2cc(C)cc(C)c2)cc1 ZINC000020484140 570262039 /nfs/dbraw/zinc/26/20/39/570262039.db2.gz SNAPBOIBOFBJRM-UHFFFAOYSA-N 1 1 379.529 4.347 40 0 GIABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000107798595 570311158 /nfs/dbraw/zinc/31/11/58/570311158.db2.gz OLHPGDQMWKWTJM-YJBOKZPZSA-N 1 1 375.394 4.054 40 0 GIABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000107798595 570311159 /nfs/dbraw/zinc/31/11/59/570311159.db2.gz OLHPGDQMWKWTJM-YJBOKZPZSA-N 1 1 375.394 4.054 40 0 GIABMO [NH3+][C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227327 570318925 /nfs/dbraw/zinc/31/89/25/570318925.db2.gz ZHVYVMWKQMDEFG-KBPBESRZSA-N 1 1 386.076 4.171 40 0 GIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)C1 ZINC000219242942 570350424 /nfs/dbraw/zinc/35/04/24/570350424.db2.gz JVGKDHQSODIWAZ-FQEVSTJZSA-N 1 1 379.548 4.175 40 0 GIABMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000222669085 570419509 /nfs/dbraw/zinc/41/95/09/570419509.db2.gz HITIBPBPAIVLAT-HXUWFJFHSA-N 1 1 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ZINC000224334405 570509615 /nfs/dbraw/zinc/50/96/15/570509615.db2.gz WDMUWRYKLDTTPE-LJQANCHMSA-N 1 1 380.532 4.290 40 0 GIABMO Oc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@@H]2CCCO2)cc1 ZINC000000904237 570515600 /nfs/dbraw/zinc/51/56/00/570515600.db2.gz YXPPIJXURHHSFZ-HNNXBMFYSA-N 1 1 388.265 4.060 40 0 GIABMO O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225258319 570559698 /nfs/dbraw/zinc/55/96/98/570559698.db2.gz POWVRWIWMLNMHT-UHFFFAOYSA-N 1 1 396.494 4.188 40 0 GIABMO O=C(CCc1c(Cl)cccc1Cl)NCCC[N@H+]1CCc2ccccc2C1 ZINC000225362217 570567369 /nfs/dbraw/zinc/56/73/69/570567369.db2.gz POUPDVFDPNDKPE-UHFFFAOYSA-N 1 1 391.342 4.491 40 0 GIABMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)C1 ZINC000036741212 570569271 /nfs/dbraw/zinc/56/92/71/570569271.db2.gz NIUACUXDOIOPDD-HXOBKFHXSA-N 1 1 396.506 4.184 40 0 GIABMO O=C1CCCN1CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000036752989 570570075 /nfs/dbraw/zinc/57/00/75/570570075.db2.gz QEHZPHOBHKJQAO-OAQYLSRUSA-N 1 1 382.479 4.164 40 0 GIABMO C[NH+]1CCN(CC(=O)N2c3ccccc3Sc3cc4ccccc4cc32)CC1 ZINC000019366416 570596082 /nfs/dbraw/zinc/59/60/82/570596082.db2.gz JHWISLMTUJNEQP-UHFFFAOYSA-N 1 1 389.524 4.217 40 0 in-vitro GIABMO COc1ccc(C[N@H+](Cc2c[nH]c3ccccc23)C[C@H]2CCCO2)cc1OC ZINC000012187294 570621436 /nfs/dbraw/zinc/62/14/36/570621436.db2.gz XELIEWXHXOQVKU-LJQANCHMSA-N 1 1 380.488 4.366 40 0 GIABMO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000004866924 570641168 /nfs/dbraw/zinc/64/11/68/570641168.db2.gz GFUQQOVSQZRWCR-USGALAMMSA-N 1 1 397.519 4.182 40 0 GIABMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625738 570665465 /nfs/dbraw/zinc/66/54/65/570665465.db2.gz UTQAWKRUTNWPHS-YOEHRIQHSA-N 1 1 388.943 4.091 40 0 GIABMO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812551 570707284 /nfs/dbraw/zinc/70/72/84/570707284.db2.gz GEKFLSCAGRMPAL-AVRDEDQJSA-N 1 1 376.541 4.331 40 0 GIABMO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812536 570707401 /nfs/dbraw/zinc/70/74/01/570707401.db2.gz FPZXERFFMVDAOV-GCJKJVERSA-N 1 1 376.541 4.474 40 0 GIABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260818155 570708794 /nfs/dbraw/zinc/70/87/94/570708794.db2.gz VPZJWYBMVHSAOQ-XMSQKQJNSA-N 1 1 376.541 4.474 40 0 GIABMO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1cc(C)nc(-c2c(C)noc2C)n1 ZINC000257271909 570773582 /nfs/dbraw/zinc/77/35/82/570773582.db2.gz NAHUWGBOKUHUQV-IBGZPJMESA-N 1 1 392.507 4.221 40 0 GIABMO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1cc(C)nc(-c2c(C)noc2C)n1 ZINC000257271909 570773587 /nfs/dbraw/zinc/77/35/87/570773587.db2.gz NAHUWGBOKUHUQV-IBGZPJMESA-N 1 1 392.507 4.221 40 0 GIABMO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1ccccc1 ZINC000257295574 570777392 /nfs/dbraw/zinc/77/73/92/570777392.db2.gz QYYRWBXGVPTLGE-UHFFFAOYSA-N 1 1 387.487 4.038 40 0 GIABMO O=C(c1ccc(O)cc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100339 570923962 /nfs/dbraw/zinc/92/39/62/570923962.db2.gz DHOHXGKQAOIWNR-QHCPKHFHSA-N 1 1 382.479 4.192 40 0 GIABMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)cc1 ZINC000585099838 570925778 /nfs/dbraw/zinc/92/57/78/570925778.db2.gz GJLMEKIAPBEFDX-LADGPHEKSA-N 1 1 384.564 4.336 40 0 GIABMO c1ccc(CNc2ccc3nc([C@H]4CCC[N@@H+](Cc5ccncc5)C4)nn3c2)cc1 ZINC000306124132 570935748 /nfs/dbraw/zinc/93/57/48/570935748.db2.gz BHAAEKGEOTTWKA-NRFANRHFSA-N 1 1 398.514 4.116 40 0 GIABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306125559 570936920 /nfs/dbraw/zinc/93/69/20/570936920.db2.gz CTYZLRWHZBBJAY-JOCHJYFZSA-N 1 1 383.499 4.479 40 0 GIABMO Cc1ccc(C[N@@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306129341 570938376 /nfs/dbraw/zinc/93/83/76/570938376.db2.gz IBAMVBIWPWUNOB-NRFANRHFSA-N 1 1 390.512 4.340 40 0 GIABMO Cc1ccc(C[N@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)s1 ZINC000306129341 570938378 /nfs/dbraw/zinc/93/83/78/570938378.db2.gz IBAMVBIWPWUNOB-NRFANRHFSA-N 1 1 390.512 4.340 40 0 GIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccccn5)C4)nn3c2)c1 ZINC000306135613 570942119 /nfs/dbraw/zinc/94/21/19/570942119.db2.gz OVYAOUSKNKUVGZ-HXUWFJFHSA-N 1 1 399.498 4.180 40 0 GIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](C5CCC5)C4)nn3c2)c1OC ZINC000306139456 570944237 /nfs/dbraw/zinc/94/42/37/570944237.db2.gz SXTUUMTZOXGVED-KRWDZBQOSA-N 1 1 392.503 4.145 40 0 GIABMO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5cccnc5)C4)nn3c2)c1 ZINC000306140815 570944729 /nfs/dbraw/zinc/94/47/29/570944729.db2.gz VEOZHIPCRSTAJE-FQEVSTJZSA-N 1 1 387.462 4.310 40 0 GIABMO O=C(C1CCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019343531 570977018 /nfs/dbraw/zinc/97/70/18/570977018.db2.gz PZVGFULPWMCLPJ-VAMGGRTRSA-N 1 1 386.586 4.426 40 0 GIABMO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](CC2CC2)C1 ZINC000019447320 570984476 /nfs/dbraw/zinc/98/44/76/570984476.db2.gz FBIBJSSMHZAFRM-VWLOTQADSA-N 1 1 391.559 4.165 40 0 GIABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)no1 ZINC000019503703 570993731 /nfs/dbraw/zinc/99/37/31/570993731.db2.gz XYGILKPYSUWMKS-LJQANCHMSA-N 1 1 377.488 4.347 40 0 GIABMO CCN1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527760 570998073 /nfs/dbraw/zinc/99/80/73/570998073.db2.gz HCTGDHXYBQFLNH-XMMPIXPASA-N 1 1 399.538 4.272 40 0 GIABMO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2cccc(F)c2)c1C ZINC000019558575 571004402 /nfs/dbraw/zinc/00/44/02/571004402.db2.gz QOWTWJKHAXISOU-LJQANCHMSA-N 1 1 395.482 4.291 40 0 GIABMO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2cccc(F)c2)c1C ZINC000019558575 571004404 /nfs/dbraw/zinc/00/44/04/571004404.db2.gz QOWTWJKHAXISOU-LJQANCHMSA-N 1 1 395.482 4.291 40 0 GIABMO Cc1cc(C)c(-n2cccn2)c(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)c1 ZINC000019566889 571008039 /nfs/dbraw/zinc/00/80/39/571008039.db2.gz CQHBKYYXNGZONZ-JOCHJYFZSA-N 1 1 376.504 4.065 40 0 GIABMO Cc1cc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)c(C)n1Cc1cccnc1 ZINC000019567507 571008510 /nfs/dbraw/zinc/00/85/10/571008510.db2.gz FBJLYHDQDQCFLV-DEOSSOPVSA-N 1 1 390.531 4.124 40 0 GIABMO Cc1noc(C)c1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019580781 571013125 /nfs/dbraw/zinc/01/31/25/571013125.db2.gz XEQQGKXGCWYCON-ZDXQCDESSA-N 1 1 395.547 4.093 40 0 GIABMO COc1cccc(Cc2cc(C)nc([C@H]3CCC[N@@H+]3Cc3ccnn3C)c2)c1 ZINC000019691990 571029530 /nfs/dbraw/zinc/02/95/30/571029530.db2.gz AQCYHONDNVGZDR-HSZRJFAPSA-N 1 1 376.504 4.060 40 0 GIABMO COc1cccc(Cc2cc(C)nc([C@H]3CCC[N@H+]3Cc3ccnn3C)c2)c1 ZINC000019691990 571029532 /nfs/dbraw/zinc/02/95/32/571029532.db2.gz AQCYHONDNVGZDR-HSZRJFAPSA-N 1 1 376.504 4.060 40 0 GIABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@@H+]3Cc3ccccn3)[nH]n2)cc1F ZINC000019703690 571031522 /nfs/dbraw/zinc/03/15/22/571031522.db2.gz BZFZZLXOOZQTSP-OAQYLSRUSA-N 1 1 384.430 4.042 40 0 GIABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccccn3)[nH]n2)cc1F ZINC000019703690 571031524 /nfs/dbraw/zinc/03/15/24/571031524.db2.gz BZFZZLXOOZQTSP-OAQYLSRUSA-N 1 1 384.430 4.042 40 0 GIABMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)c1cc(-c2ccccn2)[nH]n1 ZINC000019717587 571040299 /nfs/dbraw/zinc/04/02/99/571040299.db2.gz YKFNXCIAQLWQJT-UHFFFAOYSA-N 1 1 395.466 4.240 40 0 GIABMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)c1cc(-c2ccccn2)[nH]n1 ZINC000019717587 571040304 /nfs/dbraw/zinc/04/03/04/571040304.db2.gz YKFNXCIAQLWQJT-UHFFFAOYSA-N 1 1 395.466 4.240 40 0 GIABMO COc1ccc(CC[N@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000019704585 818601833 /nfs/dbraw/zinc/60/18/33/818601833.db2.gz BTIWXYZNFFDVCB-GOSISDBHSA-N 1 1 395.478 4.168 40 0 GIABMO COc1ccc(CC[N@@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)cc1 ZINC000019704585 818601839 /nfs/dbraw/zinc/60/18/39/818601839.db2.gz BTIWXYZNFFDVCB-GOSISDBHSA-N 1 1 395.478 4.168 40 0 GIABMO COc1ccc(CC[N@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)cc1 ZINC000019704585 818601845 /nfs/dbraw/zinc/60/18/45/818601845.db2.gz BTIWXYZNFFDVCB-GOSISDBHSA-N 1 1 395.478 4.168 40 0 GIABMO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225606684 222685823 /nfs/dbraw/zinc/68/58/23/222685823.db2.gz GCEOQXRIPTXWPQ-GCJKJVERSA-N 1 1 376.541 4.187 40 0 GIABMO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225730414 222693153 /nfs/dbraw/zinc/69/31/53/222693153.db2.gz JKMRKYSZZNCFFN-AVRDEDQJSA-N 1 1 376.541 4.474 40 0 GIABMO CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C(C)C)n1 ZINC000328981611 212091628 /nfs/dbraw/zinc/09/16/28/212091628.db2.gz GUSUZHVLJPDXIM-UHFFFAOYSA-N 1 1 380.414 4.493 40 0 GIABMO COc1ccc(C[N@H+](Cc2ccc3ncccc3c2)C[C@H]2CCCO2)cc1OC ZINC000012118239 221153368 /nfs/dbraw/zinc/15/33/68/221153368.db2.gz XUDLKAIHVPRQCZ-OAQYLSRUSA-N 1 1 392.499 4.433 40 0 GIABMO C[C@H](O)C[N@@H+](Cc1cccn1-c1ccccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000012147971 221159583 /nfs/dbraw/zinc/15/95/83/221159583.db2.gz ZPOIZHWEFJKJIW-INIZCTEOSA-N 1 1 398.890 4.242 40 0 GIABMO CCCSc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012345487 221183486 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CCn1ccnc1C[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359819 222240921 /nfs/dbraw/zinc/24/09/21/222240921.db2.gz WTMIPEVHFDCBNS-KRWDZBQOSA-N 1 1 381.911 4.393 40 0 GIABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1CC(C)C ZINC000072370399 222240961 /nfs/dbraw/zinc/24/09/61/222240961.db2.gz TWWCVPQUHFCSSB-QGZVFWFLSA-N 1 1 388.577 4.331 40 0 GIABMO CCn1ncc(C[N@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)c1C ZINC000072376055 222242696 /nfs/dbraw/zinc/24/26/96/222242696.db2.gz OVBWOZOZSGZAGS-IBGZPJMESA-N 1 1 390.535 4.433 40 0 GIABMO CCOc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)cc1OC ZINC000072395567 222251774 /nfs/dbraw/zinc/25/17/74/222251774.db2.gz IFOLIJXFJXXADH-VQTJNVASSA-N 1 1 395.478 4.339 40 0 GIABMO CC[NH+](CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2cccc(OC)c2OC)[C@H]1C)OCO3 ZINC000073296402 222270023 /nfs/dbraw/zinc/27/00/23/222270023.db2.gz XFZQJONSCZRGGL-LMIFWLCCSA-N 1 1 399.487 4.261 40 0 GIABMO C[C@H]1[C@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@H]1[NH+]1CCCC1)OCO3 ZINC000073369903 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O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1cc(-c2ccccc2)on1 ZINC000225898373 570631774 /nfs/dbraw/zinc/63/17/74/570631774.db2.gz MYOQGPCJDJQUMI-UHFFFAOYSA-N 1 1 392.846 4.385 40 0 GIABMO CCOc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000004856887 570638352 /nfs/dbraw/zinc/63/83/52/570638352.db2.gz VNNQEZICHGWQNR-AYHJJNSGSA-N 1 1 385.533 4.160 40 0 GIABMO O=C(NCCCc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044906247 570641819 /nfs/dbraw/zinc/64/18/19/570641819.db2.gz UNSIRBFAJMSMCW-IBGZPJMESA-N 1 1 388.914 4.440 40 0 GIABMO CCOC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1C ZINC000044911645 570642461 /nfs/dbraw/zinc/64/24/61/570642461.db2.gz YJUZXEOCOPHGDG-GOSISDBHSA-N 1 1 398.478 4.162 40 0 GIABMO Oc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2F)C[C@@H]2CCCO2)cc1 ZINC000057811054 570703986 /nfs/dbraw/zinc/70/39/86/570703986.db2.gz UHQXMABTDQHYDP-FQEVSTJZSA-N 1 1 381.451 4.103 40 0 GIABMO Oc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccccc2F)C[C@@H]2CCCO2)cc1 ZINC000057811054 570703988 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ZINC000226072406 222704562 /nfs/dbraw/zinc/70/45/62/222704562.db2.gz RDMZABSFBLMXRE-BSCKTTFPSA-N 1 1 379.585 4.004 40 0 GIABMO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004896644 220786669 /nfs/dbraw/zinc/78/66/69/220786669.db2.gz LEWNLHKUUYCCDG-DWKSCWABSA-N 1 1 399.575 4.380 40 0 GIABMO Cc1ncc(C[N@H+]2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012085324 221147689 /nfs/dbraw/zinc/14/76/89/221147689.db2.gz NCTYQIORPXTQPL-WDYCEAGBSA-N 1 1 377.410 4.236 40 0 GIABMO Cc1nccc(-c2ccc(-c3noc(C[N@@H+]4C[C@@H]5CCCC[C@@H]5C4)n3)cc2)n1 ZINC000012337171 221182499 /nfs/dbraw/zinc/18/24/99/221182499.db2.gz BKXCANRFTVQIGA-KDURUIRLSA-N 1 1 375.476 4.124 40 0 GIABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccc3ccccc32)n1 ZINC000012185928 221164481 /nfs/dbraw/zinc/16/44/81/221164481.db2.gz KQSXBJBFQACXKI-QFIPXVFZSA-N 1 1 389.499 4.309 40 0 GIABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+](Cc4cccc(F)c4)C3)cc2n1 ZINC000019117114 221397064 /nfs/dbraw/zinc/39/70/64/221397064.db2.gz VDJDQYVPBVCIKA-CQSZACIVSA-N 1 1 378.373 4.185 40 0 GIABMO COc1cccc2c(C(=O)N3CC[N@H+](C)[C@@H](C)C3)cn(CC3CCCCC3)c21 ZINC000058523499 222054300 /nfs/dbraw/zinc/05/43/00/222054300.db2.gz ONXJNAIZJKLJGA-KRWDZBQOSA-N 1 1 383.536 4.006 40 0 in-vitro GIABMO COc1cccc2c(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)cn(CC3CCCCC3)c21 ZINC000058523499 222054302 /nfs/dbraw/zinc/05/43/02/222054302.db2.gz ONXJNAIZJKLJGA-KRWDZBQOSA-N 1 1 383.536 4.006 40 0 in-vitro GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1cc(C)ccc1C(C)C ZINC000065739843 222135727 /nfs/dbraw/zinc/13/57/27/222135727.db2.gz ZRZSCKBBEBRSTQ-UHFFFAOYSA-N 1 1 377.488 4.308 40 0 GIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)C1CCC1 ZINC000072330563 222228953 /nfs/dbraw/zinc/22/89/53/222228953.db2.gz IXYRYDKJMXXDGB-AVRDEDQJSA-N 1 1 399.485 4.229 40 0 GIABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330379 222229110 /nfs/dbraw/zinc/22/91/10/222229110.db2.gz OWBSAKCTQZGDKT-HYBUGGRVSA-N 1 1 395.547 4.206 40 0 GIABMO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000072342824 222231164 /nfs/dbraw/zinc/23/11/64/222231164.db2.gz SPNAPAYKTSFRQG-IBGZPJMESA-N 1 1 387.487 4.381 40 0 GIABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072345958 222232979 /nfs/dbraw/zinc/23/29/79/222232979.db2.gz KKUVOENTSZDNIY-KRWDZBQOSA-N 1 1 379.895 4.154 40 0 GIABMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350295 222236185 /nfs/dbraw/zinc/23/61/85/222236185.db2.gz HGCSSPHZUPQISG-IBGZPJMESA-N 1 1 378.495 4.408 40 0 GIABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350295 222236189 /nfs/dbraw/zinc/23/61/89/222236189.db2.gz HGCSSPHZUPQISG-IBGZPJMESA-N 1 1 378.495 4.408 40 0 GIABMO Nc1cc(-c2c[nH]nc2[C@H]2CCCC[N@H+]2CCCOc2ccccc2)ccn1 ZINC000072357473 222238827 /nfs/dbraw/zinc/23/88/27/222238827.db2.gz WGLLKSRQVLCWNG-HXUWFJFHSA-N 1 1 377.492 4.050 40 0 GIABMO CCC[N@H+]1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N1CCOCC1 ZINC000072370385 222241462 /nfs/dbraw/zinc/24/14/62/222241462.db2.gz ZIGRCXZZBWYNDO-QGZVFWFLSA-N 1 1 386.561 4.181 40 0 GIABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)c1C ZINC000072375400 222242389 /nfs/dbraw/zinc/24/23/89/222242389.db2.gz OFXUILIYIULMSY-FQEVSTJZSA-N 1 1 376.508 4.391 40 0 GIABMO Cc1cc(N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)nc(C)[nH+]1 ZINC000072371419 222243329 /nfs/dbraw/zinc/24/33/29/222243329.db2.gz ASBDJXMAEADYAY-INIZCTEOSA-N 1 1 397.910 4.085 40 0 GIABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](CC(C)(C)C)C1 ZINC000072395963 222251254 /nfs/dbraw/zinc/25/12/54/222251254.db2.gz OUPMLVKPFXMLHH-HSZRJFAPSA-N 1 1 383.536 4.149 40 0 GIABMO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C2CCCCC2)C1 ZINC000072395921 222251721 /nfs/dbraw/zinc/25/17/21/222251721.db2.gz AFLPQMDSNDMVSP-XMMPIXPASA-N 1 1 395.547 4.387 40 0 GIABMO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](C2CCCC2)C1 ZINC000072395914 222252138 /nfs/dbraw/zinc/25/21/38/222252138.db2.gz WMNKQLBFWFEHDB-QHCPKHFHSA-N 1 1 381.520 4.045 40 0 GIABMO COc1ccc2cc(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000072396143 537035109 /nfs/dbraw/zinc/03/51/09/537035109.db2.gz XDJLUORGHYUGLT-INIZCTEOSA-N 1 1 377.488 4.385 40 0 GIABMO COc1ccc2cc(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000072396143 537035111 /nfs/dbraw/zinc/03/51/11/537035111.db2.gz XDJLUORGHYUGLT-INIZCTEOSA-N 1 1 377.488 4.385 40 0 GIABMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514288883 560033811 /nfs/dbraw/zinc/03/38/11/560033811.db2.gz CSLNAJFOWGBPAD-QNWVGRARSA-N 1 1 398.572 4.121 40 0 biogenic,in-vitro GIABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329020306 570213062 /nfs/dbraw/zinc/21/30/62/570213062.db2.gz OAKQXVYIEXNJNZ-OAHLLOKOSA-N 1 1 378.520 4.325 40 0 GIABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329020306 570213063 /nfs/dbraw/zinc/21/30/63/570213063.db2.gz OAKQXVYIEXNJNZ-OAHLLOKOSA-N 1 1 378.520 4.325 40 0 GIABMO CC[C@H](C)Nc1cc(N2CCc3cc(C(=O)OC)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329068016 570216392 /nfs/dbraw/zinc/21/63/92/570216392.db2.gz YMKSBLQEXMQKMQ-HNNXBMFYSA-N 1 1 382.508 4.160 40 0 GIABMO Cc1nc([C@@H]2CCCC[N@@H+]2CC(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764913 570217356 /nfs/dbraw/zinc/21/73/56/570217356.db2.gz QNMGCMQJVITXDI-FQEVSTJZSA-N 1 1 384.499 4.037 40 0 GIABMO CC(=O)N1CCCC[C@@H]2[N@@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CCC[C@@]21C ZINC000585282793 570250982 /nfs/dbraw/zinc/25/09/82/570250982.db2.gz HYFTYIFHWAHTTC-BAMDZGJYSA-N 1 1 378.601 4.209 40 0 GIABMO Cc1cccc(OC[C@]2(O)COCC[N@H+]([C@H]3CC[C@H](c4ccccc4)CC3)C2)c1 ZINC000585287791 570259069 /nfs/dbraw/zinc/25/90/69/570259069.db2.gz RUOMLCIQWFCIAF-VDKIKQQVSA-N 1 1 395.543 4.164 40 0 GIABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c[nH+]c(N3CCCCC3)cc2C)cc1 ZINC000072219229 570318235 /nfs/dbraw/zinc/31/82/35/570318235.db2.gz IUIGOTRLYZFVIT-OAQYLSRUSA-N 1 1 399.560 4.215 40 0 GIABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCCC3)[nH+]c2C)cc1 ZINC000072219289 570318301 /nfs/dbraw/zinc/31/83/01/570318301.db2.gz ZACSNJBARZLKOZ-OAQYLSRUSA-N 1 1 399.560 4.215 40 0 GIABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227825 570319283 /nfs/dbraw/zinc/31/92/83/570319283.db2.gz VEVFCEWGFLLVMR-KGLIPLIRSA-N 1 1 375.177 4.427 40 0 GIABMO CCN(CC)CC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022074697 570321168 /nfs/dbraw/zinc/32/11/68/570321168.db2.gz LHQONVYIHMDREL-UHFFFAOYSA-N 1 1 376.928 4.359 40 0 GIABMO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072358356 570339472 /nfs/dbraw/zinc/33/94/72/570339472.db2.gz CEOBGZWEAMDOFQ-OAQYLSRUSA-N 1 1 386.499 4.482 40 0 GIABMO Fc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072371232 570339806 /nfs/dbraw/zinc/33/98/06/570339806.db2.gz AXKZRKDADXLYHU-LJQANCHMSA-N 1 1 379.479 4.202 40 0 GIABMO Fc1ccccc1OCCc1cc([C@@H]2CC[N@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072371232 570339808 /nfs/dbraw/zinc/33/98/08/570339808.db2.gz AXKZRKDADXLYHU-LJQANCHMSA-N 1 1 379.479 4.202 40 0 GIABMO Fc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072371232 570339810 /nfs/dbraw/zinc/33/98/10/570339810.db2.gz AXKZRKDADXLYHU-LJQANCHMSA-N 1 1 379.479 4.202 40 0 GIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)C1 ZINC000219242867 570350325 /nfs/dbraw/zinc/35/03/25/570350325.db2.gz JVGKDHQSODIWAZ-HXUWFJFHSA-N 1 1 379.548 4.175 40 0 GIABMO O=C(c1cccs1)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@]1(O)c1cccs1 ZINC000054073048 570410748 /nfs/dbraw/zinc/41/07/48/570410748.db2.gz CSELUCAFPBCIKL-LAUBAEHRSA-N 1 1 383.538 4.402 40 0 GIABMO O=C(c1cccs1)[C@@H]1C[N@H+](Cc2ccccc2)CC[C@]1(O)c1cccs1 ZINC000054073048 570410751 /nfs/dbraw/zinc/41/07/51/570410751.db2.gz CSELUCAFPBCIKL-LAUBAEHRSA-N 1 1 383.538 4.402 40 0 GIABMO Cc1cc(C)cc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000224088909 570497985 /nfs/dbraw/zinc/49/79/85/570497985.db2.gz OQKDRKOLBZTRCN-GOSISDBHSA-N 1 1 380.532 4.344 40 0 GIABMO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000030943306 570501483 /nfs/dbraw/zinc/50/14/83/570501483.db2.gz WDBAPNMCEWDVTE-NRFANRHFSA-N 1 1 394.515 4.494 40 0 GIABMO COc1ccc([C@H]2c3cc4c(cc3O[C@H]([NH+]3CCCCC3)[C@@H]2C)OCO4)cc1 ZINC000031860887 570507029 /nfs/dbraw/zinc/50/70/29/570507029.db2.gz OFWNMZRXUNSPIH-QABPDZFRSA-N 1 1 381.472 4.396 40 0 GIABMO Cc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000001330600 570568346 /nfs/dbraw/zinc/56/83/46/570568346.db2.gz DMYSGPNXOWSMGP-JOCHJYFZSA-N 1 1 375.520 4.046 40 0 GIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)C1 ZINC000038753807 570581785 /nfs/dbraw/zinc/58/17/85/570581785.db2.gz HCAUKQUHKVFOQZ-LJQANCHMSA-N 1 1 388.515 4.034 40 0 GIABMO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225581620 570590903 /nfs/dbraw/zinc/59/09/03/570590903.db2.gz QVZPGKPVORPMCT-UHFFFAOYSA-N 1 1 388.914 4.440 40 0 GIABMO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225606768 570593184 /nfs/dbraw/zinc/59/31/84/570593184.db2.gz RRLNRSHAVANTEW-AVRDEDQJSA-N 1 1 376.541 4.330 40 0 GIABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225692848 570604201 /nfs/dbraw/zinc/60/42/01/570604201.db2.gz VPZJWYBMVHSAOQ-PGRDOPGGSA-N 1 1 376.541 4.474 40 0 GIABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000004302146 570624871 /nfs/dbraw/zinc/62/48/71/570624871.db2.gz FUOOFZYISRPLNL-QDSKXPNFSA-N 1 1 394.515 4.002 40 0 GIABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)Nc1ccccc1 ZINC000004302146 570624875 /nfs/dbraw/zinc/62/48/75/570624875.db2.gz FUOOFZYISRPLNL-QDSKXPNFSA-N 1 1 394.515 4.002 40 0 GIABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2cc(Br)ccc21 ZINC000225901006 570632325 /nfs/dbraw/zinc/63/23/25/570632325.db2.gz CSVHLTMVDRATQG-GOSISDBHSA-N 1 1 399.332 4.250 40 0 GIABMO CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1C ZINC000044911647 570642110 /nfs/dbraw/zinc/64/21/10/570642110.db2.gz YJUZXEOCOPHGDG-SFHVURJKSA-N 1 1 398.478 4.162 40 0 GIABMO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908822 570642481 /nfs/dbraw/zinc/64/24/81/570642481.db2.gz VNNYBRXSIKTEHM-IBGZPJMESA-N 1 1 386.923 4.056 40 0 GIABMO CCOC(=O)c1cc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)ccc1Cl ZINC000044939703 570644742 /nfs/dbraw/zinc/64/47/42/570644742.db2.gz MFXHODGOGLSGCA-UHFFFAOYSA-N 1 1 397.862 4.322 40 0 GIABMO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818215 570708600 /nfs/dbraw/zinc/70/86/00/570708600.db2.gz XXOMUBTYGMDQDR-AVRDEDQJSA-N 1 1 376.541 4.331 40 0 GIABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000257231224 570765023 /nfs/dbraw/zinc/76/50/23/570765023.db2.gz GFVQGBYOYBJJDG-NRFANRHFSA-N 1 1 394.563 4.442 40 0 GIABMO C[N@H+]1CCCC[C@@H]2N(C(=O)c3ccnc(Cc4ccccc4F)c3)CCC[C@@]21C ZINC000257245704 570769528 /nfs/dbraw/zinc/76/95/28/570769528.db2.gz IQRGXUHVHXUSSN-UPVQGACJSA-N 1 1 395.522 4.291 40 0 GIABMO CN(C)C(=O)c1sc2nc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)ccc2c1N ZINC000257344040 570785053 /nfs/dbraw/zinc/78/50/53/570785053.db2.gz ZVNBRCXFPPOOKL-KRWDZBQOSA-N 1 1 398.507 4.057 40 0 GIABMO Cc1cc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(C)c1Cl ZINC000014398076 570883743 /nfs/dbraw/zinc/88/37/43/570883743.db2.gz KOUCAFNRPBXCKN-SFHVURJKSA-N 1 1 386.923 4.069 40 0 GIABMO O=C(c1ccc(O)cc1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100554 570924602 /nfs/dbraw/zinc/92/46/02/570924602.db2.gz NHNBLCAPIJHUMT-HSZRJFAPSA-N 1 1 382.479 4.192 40 0 GIABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1)c1ccccn1 ZINC000019400324 570925282 /nfs/dbraw/zinc/92/52/82/570925282.db2.gz SLQWNPMMVOQJQU-BJLQDIEVSA-N 1 1 396.560 4.078 40 0 GIABMO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc(F)cc4)C2)OC3)c1 ZINC000306125431 570936306 /nfs/dbraw/zinc/93/63/06/570936306.db2.gz CQPAMJDHTGFXDH-QHCPKHFHSA-N 1 1 377.463 4.173 40 0 GIABMO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306127388 570937379 /nfs/dbraw/zinc/93/73/79/570937379.db2.gz FXJNXBMDWFWDKI-XMMPIXPASA-N 1 1 397.526 4.193 40 0 GIABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306133819 570941040 /nfs/dbraw/zinc/94/10/40/570941040.db2.gz MXANRQJGKAVFFZ-HXUWFJFHSA-N 1 1 387.462 4.310 40 0 GIABMO O=C1C[C@H]2[C@H](CC[N@H+]2CC2CCCCC2)N1Cc1ccc(OC(F)F)cc1 ZINC000585109080 570941054 /nfs/dbraw/zinc/94/10/54/570941054.db2.gz SLHMJLOQTMMPML-OALUTQOASA-N 1 1 378.463 4.044 40 0 GIABMO Clc1cccc(C[N@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306134464 570941455 /nfs/dbraw/zinc/94/14/55/570941455.db2.gz NOKTUTBOWGBUJM-HSZRJFAPSA-N 1 1 390.918 4.294 40 0 GIABMO Cc1ccsc1C[N@@H+](CCCN1CCOCC1)Cc1cccc(Cl)c1 ZINC000019238579 570967940 /nfs/dbraw/zinc/96/79/40/570967940.db2.gz CEZIHGPNBIIJJH-UHFFFAOYSA-N 1 1 378.969 4.434 40 0 GIABMO O=C(NC1CC1)c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019292911 570972811 /nfs/dbraw/zinc/97/28/11/570972811.db2.gz NKFNXTFHIDQQMI-ZDUSSCGKSA-N 1 1 394.302 4.253 40 0 GIABMO O=C(NC1CC1)c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019292911 570972812 /nfs/dbraw/zinc/97/28/12/570972812.db2.gz NKFNXTFHIDQQMI-ZDUSSCGKSA-N 1 1 394.302 4.253 40 0 GIABMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CCC2(CC2(F)F)CC1 ZINC000660515931 570973192 /nfs/dbraw/zinc/97/31/92/570973192.db2.gz ZWCQCUDBJQGESK-MDCZIUGASA-N 1 1 397.535 4.227 40 0 GIABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000019401597 570982953 /nfs/dbraw/zinc/98/29/53/570982953.db2.gz HSJBNFIRQNEHMC-YKSBVNFPSA-N 1 1 392.547 4.126 40 0 GIABMO COc1ccc([C@H](NC(=O)[C@H](C)n2cc[nH+]c2C(C)C)c2ccccc2)cc1 ZINC000019454321 570986550 /nfs/dbraw/zinc/98/65/50/570986550.db2.gz MHLXAUJMUDUQIU-LAUBAEHRSA-N 1 1 377.488 4.482 40 0 GIABMO Cc1onc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)c1C[NH+](C)C ZINC000019663468 571026956 /nfs/dbraw/zinc/02/69/56/571026956.db2.gz PXMOXGBUEUVNQH-UHFFFAOYSA-N 1 1 381.480 4.152 40 0 GIABMO CC(C)Oc1ccc(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)cc1 ZINC000019702565 818600692 /nfs/dbraw/zinc/60/06/92/818600692.db2.gz BJZHYLHWVKQVBK-MRXNPFEDSA-N 1 1 395.528 4.172 40 0 GIABMO Cc1nc([C@H]2CCC[N@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019755355 818604908 /nfs/dbraw/zinc/60/49/08/818604908.db2.gz WDZKQUMWPPXCPT-JOCHJYFZSA-N 1 1 386.499 4.417 40 0 GIABMO Cn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)cc21 ZINC000257198790 212140610 /nfs/dbraw/zinc/14/06/10/212140610.db2.gz IGUKVIWLZAHKCK-KHUIQGCPSA-N 1 1 389.543 4.214 40 0 GIABMO Cn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@H]43)ccc21 ZINC000257198573 212140097 /nfs/dbraw/zinc/14/00/97/212140097.db2.gz CNRGJYDKCFDOQL-SCDRESIJSA-N 1 1 389.543 4.214 40 0 GIABMO Cc1ccc(OC[C@H](O)C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000027666041 212107193 /nfs/dbraw/zinc/10/71/93/212107193.db2.gz ANPLYRGZQFFSJB-XMMPIXPASA-N 1 1 375.512 4.480 40 0 GIABMO CC(C)[C@@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)[nH+]1 ZINC000329014364 212093724 /nfs/dbraw/zinc/09/37/24/212093724.db2.gz MVDXKHWNEAMYIM-LJQANCHMSA-N 1 1 380.536 4.124 40 0 GIABMO CC(C)[C@@H](CO)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C2CC2)n1 ZINC000329014364 212093726 /nfs/dbraw/zinc/09/37/26/212093726.db2.gz MVDXKHWNEAMYIM-LJQANCHMSA-N 1 1 380.536 4.124 40 0 GIABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C3CC3)n1)C2 ZINC000328964577 212090639 /nfs/dbraw/zinc/09/06/39/212090639.db2.gz BWDIYMKZHZUDNF-UHFFFAOYSA-N 1 1 392.547 4.499 40 0 GIABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C3CC3)[nH+]1)C2 ZINC000328964577 212090642 /nfs/dbraw/zinc/09/06/42/212090642.db2.gz BWDIYMKZHZUDNF-UHFFFAOYSA-N 1 1 392.547 4.499 40 0 GIABMO Cc1cnccc1C(=O)N1CCC[C@@H](c2[nH+]c3ccccn3c2NC(C)(C)C)C1 ZINC000012128165 221155662 /nfs/dbraw/zinc/15/56/62/221155662.db2.gz BPSFEOLPPPDTRV-QGZVFWFLSA-N 1 1 391.519 4.268 40 0 GIABMO C[C@@H](O)C[N@@H+](Cc1cccn1-c1ccccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000012147970 221159723 /nfs/dbraw/zinc/15/97/23/221159723.db2.gz ZPOIZHWEFJKJIW-MRXNPFEDSA-N 1 1 398.890 4.242 40 0 GIABMO CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000012183354 221162651 /nfs/dbraw/zinc/16/26/51/221162651.db2.gz AYHAEPGWFHROQG-YJBOKZPZSA-N 1 1 393.503 4.147 40 0 GIABMO CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000012183354 221162653 /nfs/dbraw/zinc/16/26/53/221162653.db2.gz AYHAEPGWFHROQG-YJBOKZPZSA-N 1 1 393.503 4.147 40 0 GIABMO Cc1cc(-c2cnc(NCCC[N@@H+]3CCC[C@H](C)C3)nc2-c2ccco2)on1 ZINC000012184357 221164130 /nfs/dbraw/zinc/16/41/30/221164130.db2.gz JDADIFANMDHFMD-HNNXBMFYSA-N 1 1 381.480 4.234 40 0 GIABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012219345 221169737 /nfs/dbraw/zinc/16/97/37/221169737.db2.gz CVVJZVZWYOATCE-IUYQLWOBSA-N 1 1 383.446 4.345 40 0 GIABMO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccc4ncccc4c2)C3)cc1 ZINC000012238589 221171765 /nfs/dbraw/zinc/17/17/65/221171765.db2.gz OMUYKDLYCQMJGF-OFFJZUQKSA-N 1 1 388.511 4.363 40 0 GIABMO CCOc1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)ccc1OC ZINC000013994444 221295635 /nfs/dbraw/zinc/29/56/35/221295635.db2.gz ZGQSLJAJEXXVJO-IBGZPJMESA-N 1 1 399.487 4.004 40 0 GIABMO C[N@H+]1CCC[C@H]1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000015657729 221337125 /nfs/dbraw/zinc/33/71/25/221337125.db2.gz HNLNXYUSMGCHFW-SFHVURJKSA-N 1 1 381.907 4.125 40 0 GIABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](CC2CCCCC2)C1 ZINC000015674146 221338739 /nfs/dbraw/zinc/33/87/39/221338739.db2.gz FWUWDMPAAYQFAK-SJORKVTESA-N 1 1 395.425 4.443 40 0 biogenic,in-vitro GIABMO CCCCOC(=O)c1ccc2nc(NC(=O)C[NH+]3CCCCCC3)sc2c1 ZINC000016740501 221369098 /nfs/dbraw/zinc/36/90/98/221369098.db2.gz DCVLVTNLWBTBPF-UHFFFAOYSA-N 1 1 389.521 4.068 40 0 GIABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)on1 ZINC000019120751 221397877 /nfs/dbraw/zinc/39/78/77/221397877.db2.gz GYPBOLPEPHFLON-CYBMUJFWSA-N 1 1 376.432 4.159 40 0 GIABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)on1 ZINC000019120751 221397880 /nfs/dbraw/zinc/39/78/80/221397880.db2.gz GYPBOLPEPHFLON-CYBMUJFWSA-N 1 1 376.432 4.159 40 0 GIABMO O[C@H](c1cccnc1)c1ccccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000072340651 136168522 /nfs/dbraw/zinc/16/85/22/136168522.db2.gz BILGVLCIATWDIF-HSZRJFAPSA-N 1 1 393.918 4.139 40 0 GIABMO CCOc1ccc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000016691505 136202052 /nfs/dbraw/zinc/20/20/52/136202052.db2.gz DMRNRCCSZLFGQA-UHFFFAOYSA-N 1 1 395.890 4.249 40 0 GIABMO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030860387 221704272 /nfs/dbraw/zinc/70/42/72/221704272.db2.gz RJKRJCCYEZXSMZ-XQBPLPMBSA-N 1 1 382.548 4.481 40 0 GIABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C1CCC1 ZINC000072330561 222228745 /nfs/dbraw/zinc/22/87/45/222228745.db2.gz HKHIBFGKJVGZOA-AVRDEDQJSA-N 1 1 399.485 4.229 40 0 GIABMO CCn1ccnc1C[NH+]1CCC(c2cccc(Cc3ccccc3OC)n2)CC1 ZINC000072350297 222236384 /nfs/dbraw/zinc/23/63/84/222236384.db2.gz CHZUXLXFZGUYOP-UHFFFAOYSA-N 1 1 390.531 4.277 40 0 GIABMO Cn1cc(C[N@H+]2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cn1 ZINC000072349989 222236457 /nfs/dbraw/zinc/23/64/57/222236457.db2.gz YBNHBYYVIIZBEF-IBGZPJMESA-N 1 1 380.923 4.439 40 0 GIABMO CCc1ncc(C[N@H+]2CCC[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000072350251 222236593 /nfs/dbraw/zinc/23/65/93/222236593.db2.gz RZAUYLRRJJOYJW-FQEVSTJZSA-N 1 1 388.515 4.489 40 0 GIABMO O=C(c1ccc(Cl)cc1)N1CC[N@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355073 222238981 /nfs/dbraw/zinc/23/89/81/222238981.db2.gz NBNKAJQNIJRXFX-GOSISDBHSA-N 1 1 397.950 4.294 40 0 GIABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072370400 222241126 /nfs/dbraw/zinc/24/11/26/222241126.db2.gz TWWCVPQUHFCSSB-KRWDZBQOSA-N 1 1 388.577 4.331 40 0 GIABMO Fc1cccc(OCCc2cc([C@@H]3CC[N@@H+](CCc4ccccc4)C3)[nH]n2)c1 ZINC000072371234 222241962 /nfs/dbraw/zinc/24/19/62/222241962.db2.gz RMQMPKDALSDACQ-LJQANCHMSA-N 1 1 379.479 4.202 40 0 GIABMO Fc1cccc(OCCc2cc([C@@H]3CC[N@H+](CCc4ccccc4)C3)n[nH]2)c1 ZINC000072371234 222241966 /nfs/dbraw/zinc/24/19/66/222241966.db2.gz RMQMPKDALSDACQ-LJQANCHMSA-N 1 1 379.479 4.202 40 0 GIABMO Fc1cccc(OCCc2cc([C@@H]3CC[N@@H+](CCc4ccccc4)C3)n[nH]2)c1 ZINC000072371234 222241970 /nfs/dbraw/zinc/24/19/70/222241970.db2.gz RMQMPKDALSDACQ-LJQANCHMSA-N 1 1 379.479 4.202 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cncc(-n3ccnc3C(C)C)n2)cc1 ZINC000072378691 222244867 /nfs/dbraw/zinc/24/48/67/222244867.db2.gz MOVYXBMSJSYPMJ-FQEVSTJZSA-N 1 1 377.492 4.131 40 0 GIABMO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](CC(C)C)C1 ZINC000072395931 222251077 /nfs/dbraw/zinc/25/10/77/222251077.db2.gz QUELUMYWQABQNQ-HSZRJFAPSA-N 1 1 383.536 4.067 40 0 GIABMO C[C@H](c1nc2ccccc2n1CC(=O)N(C)c1ccccc1)[NH+]1CCCCC1 ZINC000076556425 222272122 /nfs/dbraw/zinc/27/21/22/222272122.db2.gz ISWBVDAKALRTEK-GOSISDBHSA-N 1 1 376.504 4.246 40 0 GIABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080587 222376059 /nfs/dbraw/zinc/37/60/59/222376059.db2.gz OLHPGDQMWKWTJM-MAUKXSAKSA-N 1 1 375.394 4.054 40 0 GIABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000096080587 222376061 /nfs/dbraw/zinc/37/60/61/222376061.db2.gz OLHPGDQMWKWTJM-MAUKXSAKSA-N 1 1 375.394 4.054 40 0 GIABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccc(OC(F)(F)F)c4)C3)nc2c1 ZINC000035446818 560079246 /nfs/dbraw/zinc/07/92/46/560079246.db2.gz CDRJTOZNLOESDJ-AWEZNQCLSA-N 1 1 391.393 4.460 40 0 biogenic,in-vitro GIABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4cccc(OC(F)(F)F)c4)C3)[nH]c2c1 ZINC000035446818 560079247 /nfs/dbraw/zinc/07/92/47/560079247.db2.gz CDRJTOZNLOESDJ-AWEZNQCLSA-N 1 1 391.393 4.460 40 0 biogenic,in-vitro GIABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4cccc(OC(F)(F)F)c4)C3)[nH]c2c1 ZINC000035446818 560079248 /nfs/dbraw/zinc/07/92/48/560079248.db2.gz CDRJTOZNLOESDJ-AWEZNQCLSA-N 1 1 391.393 4.460 40 0 biogenic,in-vitro GIABMO Cc1nc([C@H]2CC[N@H+](C3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753198 570215885 /nfs/dbraw/zinc/21/58/85/570215885.db2.gz XPVGGVANSCSHTQ-HNNXBMFYSA-N 1 1 384.911 4.423 40 0 GIABMO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096244650 570224094 /nfs/dbraw/zinc/22/40/94/570224094.db2.gz FFQYJHNMSVHZMR-XMMPIXPASA-N 1 1 389.474 4.265 40 0 GIABMO Cc1ccccc1OC[C@@]1(O)COCC[N@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C1 ZINC000585284884 570254425 /nfs/dbraw/zinc/25/44/25/570254425.db2.gz AMEUOGJLGCQYEC-JTAQYXEDSA-N 1 1 375.553 4.042 40 0 GIABMO CC(C)(C)[C@H]1CC[C@H]([N@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585285968 570255087 /nfs/dbraw/zinc/25/50/87/570255087.db2.gz GAXRBSGJPHZOKG-BPXKWBHBSA-N 1 1 397.506 4.012 40 0 GIABMO CCOc1ccc(C(=O)CN(c2ccc3c(c2)OCO3)C2=[NH+]CCCCC2)cc1 ZINC000006870320 570294716 /nfs/dbraw/zinc/29/47/16/570294716.db2.gz OFXMGOPYKVCYKX-UHFFFAOYSA-N 1 1 394.471 4.476 40 0 GIABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Br)cc1 ZINC000072227793 570319184 /nfs/dbraw/zinc/31/91/84/570319184.db2.gz PTOCXHUOOLZTDU-KGLIPLIRSA-N 1 1 386.076 4.171 40 0 GIABMO CC(C)C[N@H+]1CCN(CCCOC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000022584725 570322324 /nfs/dbraw/zinc/32/23/24/570322324.db2.gz OQIXGFCGZSJOEY-LJQANCHMSA-N 1 1 383.536 4.441 40 0 GIABMO O[C@@H](CCC[N@@H+]1CCN2CCc3[nH]c4ccccc4c3[C@H]2C1)c1ccc(F)cc1 ZINC000022858945 570331449 /nfs/dbraw/zinc/33/14/49/570331449.db2.gz GGLXFWQANMJCNR-PKTZIBPZSA-N 1 1 393.506 4.036 40 0 GIABMO O[C@@H](CCC[N@H+]1CCN2CCc3[nH]c4ccccc4c3[C@H]2C1)c1ccc(F)cc1 ZINC000022858945 570331451 /nfs/dbraw/zinc/33/14/51/570331451.db2.gz GGLXFWQANMJCNR-PKTZIBPZSA-N 1 1 393.506 4.036 40 0 GIABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000222704971 570421661 /nfs/dbraw/zinc/42/16/61/570421661.db2.gz OZVUNZKRAHOCCF-QZTJIDSGSA-N 1 1 394.515 4.181 40 0 GIABMO COc1cccc(OC)c1C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000222958041 570433234 /nfs/dbraw/zinc/43/32/34/570433234.db2.gz HUCQMMWIKXWMMS-UHFFFAOYSA-N 1 1 399.878 4.137 40 0 GIABMO CCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000030939569 570501443 /nfs/dbraw/zinc/50/14/43/570501443.db2.gz 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COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306125555 570936896 /nfs/dbraw/zinc/93/68/96/570936896.db2.gz CTTOWBRNCXUOFD-OALUTQOASA-N 1 1 377.463 4.002 40 0 GIABMO CN1CC[N@H+](Cc2ccsc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306136742 570942563 /nfs/dbraw/zinc/94/25/63/570942563.db2.gz QBQTZZGSDQYXLZ-LJQANCHMSA-N 1 1 395.557 4.008 40 0 GIABMO CN1CC[N@@H+](Cc2ccsc2)C[C@@H]1c1nnn2cc(-c3ccsc3)ccc12 ZINC000306136742 570942564 /nfs/dbraw/zinc/94/25/64/570942564.db2.gz QBQTZZGSDQYXLZ-LJQANCHMSA-N 1 1 395.557 4.008 40 0 GIABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccc(F)cc4)C[C@@H]2C3)cc1 ZINC000306136527 570942578 /nfs/dbraw/zinc/94/25/78/570942578.db2.gz PVZCCAZHIHVDPR-RBUKOAKNSA-N 1 1 377.463 4.002 40 0 GIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5cccnc5)C4)nn3c2)c1 ZINC000306140541 570944847 /nfs/dbraw/zinc/94/48/47/570944847.db2.gz UWWLNKAEXDYBCO-OAQYLSRUSA-N 1 1 399.498 4.180 40 0 GIABMO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306144518 570947085 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COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cnn(C)c3)no2)cc1OC ZINC000019290700 570971997 /nfs/dbraw/zinc/97/19/97/570971997.db2.gz HIGQEQFGXRCZKO-IBGZPJMESA-N 1 1 396.491 4.210 40 0 GIABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019334033 570975631 /nfs/dbraw/zinc/97/56/31/570975631.db2.gz KSLAQNICOORWBZ-KRWDZBQOSA-N 1 1 385.483 4.256 40 0 GIABMO O=C(C1CC1)N1CCC2(CC1)C[N@@H+](Cc1ccccc1)C[C@H](c1ccccc1)O2 ZINC000019371693 570980941 /nfs/dbraw/zinc/98/09/41/570980941.db2.gz CRVLPGWQWPGBBZ-HSZRJFAPSA-N 1 1 390.527 4.031 40 0 GIABMO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](CC2CC2)C1 ZINC000019447318 570984393 /nfs/dbraw/zinc/98/43/93/570984393.db2.gz FBIBJSSMHZAFRM-RUZDIDTESA-N 1 1 391.559 4.165 40 0 GIABMO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](CC2CC2)C1 ZINC000019448925 570984858 /nfs/dbraw/zinc/98/48/58/570984858.db2.gz HHRFKOILSLMIFS-VWLOTQADSA-N 1 1 391.559 4.308 40 0 GIABMO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000019529149 570998643 /nfs/dbraw/zinc/99/86/43/570998643.db2.gz OKJHWJJHTKEJOH-SANMLTNESA-N 1 1 399.538 4.320 40 0 GIABMO Cc1ncsc1-c1nnc([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)o1 ZINC000019562810 571006339 /nfs/dbraw/zinc/00/63/39/571006339.db2.gz RQNUJRYMHMGNNB-ZDUSSCGKSA-N 1 1 376.432 4.159 40 0 GIABMO COc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=[NH+]CCCCC2)cc1 ZINC000007275492 817809357 /nfs/dbraw/zinc/80/93/57/817809357.db2.gz FTWJEXGJGSBZGP-UHFFFAOYSA-N 1 1 396.487 4.374 40 0 GIABMO Cc1cc(N2CCO[C@@H](c3ccc(Cc4ccccc4Cl)cn3)C2)nc(C)[nH+]1 ZINC000019692922 818599495 /nfs/dbraw/zinc/59/94/95/818599495.db2.gz KDYRSQRCCBSGLQ-OAQYLSRUSA-N 1 1 394.906 4.311 40 0 GIABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)s1 ZINC000019704264 818600884 /nfs/dbraw/zinc/60/08/84/818600884.db2.gz IYLZDSPPHZGMSQ-AWEZNQCLSA-N 1 1 388.924 4.397 40 0 GIABMO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)s1 ZINC000019704264 818600888 /nfs/dbraw/zinc/60/08/88/818600888.db2.gz IYLZDSPPHZGMSQ-AWEZNQCLSA-N 1 1 388.924 4.397 40 0 GIABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)s1 ZINC000019704264 818600894 /nfs/dbraw/zinc/60/08/94/818600894.db2.gz IYLZDSPPHZGMSQ-AWEZNQCLSA-N 1 1 388.924 4.397 40 0 GIABMO CC(C)(CN1CCCCC1)C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712647 818602398 /nfs/dbraw/zinc/60/23/98/818602398.db2.gz AYILMSQHKQEMKP-ZDXQCDESSA-N 1 1 397.607 4.025 40 0 GIABMO CC(C)(CN1CCCCC1)C[N@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712647 818602404 /nfs/dbraw/zinc/60/24/04/818602404.db2.gz AYILMSQHKQEMKP-ZDXQCDESSA-N 1 1 397.607 4.025 40 0 GIABMO CC(C)(CN1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21)C[NH+]1CCCCC1 ZINC000019712647 818602408 /nfs/dbraw/zinc/60/24/08/818602408.db2.gz AYILMSQHKQEMKP-ZDXQCDESSA-N 1 1 397.607 4.025 40 0 GIABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@H+]2Cc1ccc2ccccc2n1 ZINC000019712612 818602493 /nfs/dbraw/zinc/60/24/93/818602493.db2.gz YUNRACGWGCGUNB-PWWKTKHKSA-N 1 1 385.511 4.262 40 0 GIABMO Cc1noc(C)c1CC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000019713525 818603212 /nfs/dbraw/zinc/60/32/12/818603212.db2.gz CRKZORMXQFEEJR-FIXSFTCYSA-N 1 1 395.547 4.441 40 0 GIABMO COc1ccc2nc(C[N@H+]3CC[C@@H](c4nc(-c5ccccc5)no4)C3)ccc2c1 ZINC000257217255 222755946 /nfs/dbraw/zinc/75/59/46/222755946.db2.gz CYFKEIMREGELDZ-GOSISDBHSA-N 1 1 386.455 4.283 40 0 GIABMO COc1cccc2c1OC1(CC[NH+](Cc3cncs3)CC1)[C@H]1CCCO[C@H]21 ZINC000257326204 222776107 /nfs/dbraw/zinc/77/61/07/222776107.db2.gz WWGKNZYAXKSDBL-PKOBYXMFSA-N 1 1 386.517 4.047 40 0 GIABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306134198 222798605 /nfs/dbraw/zinc/79/86/05/222798605.db2.gz NFOUMMKKZDPRMK-FQEVSTJZSA-N 1 1 375.520 4.018 40 0 GIABMO CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329020872 212093051 /nfs/dbraw/zinc/09/30/51/212093051.db2.gz OEKSCQWTLRRUAA-HXUWFJFHSA-N 1 1 382.552 4.327 40 0 GIABMO CCNc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C(C)C)n1 ZINC000328963478 212090080 /nfs/dbraw/zinc/09/00/80/212090080.db2.gz BOQWZAZHFWZKCI-UHFFFAOYSA-N 1 1 375.314 4.357 40 0 GIABMO Cc1ccc(C)c(N(CC(=O)c2ccc3c(c2)OCCO3)C2=[NH+]CCCC2)c1 ZINC000008410756 221041181 /nfs/dbraw/zinc/04/11/81/221041181.db2.gz MBHINLVAMNCPQX-UHFFFAOYSA-N 1 1 378.472 4.346 40 0 GIABMO Cc1ccsc1C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H](C)O ZINC000012116723 221151884 /nfs/dbraw/zinc/15/18/84/221151884.db2.gz XTJCWRKROHBKBG-CQSZACIVSA-N 1 1 375.925 4.483 40 0 GIABMO COc1cccc(C[N@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)c1F ZINC000012126507 221155591 /nfs/dbraw/zinc/15/55/91/221155591.db2.gz HUZWSGVPGYQOTC-UHFFFAOYSA-N 1 1 385.479 4.150 40 0 GIABMO COc1ccc(C[N@H+](C)Cc2[nH]nc3c2CCCC3)cc1Cc1c(C)noc1C ZINC000012143737 221159078 /nfs/dbraw/zinc/15/90/78/221159078.db2.gz WYYRVTVHZZJNAW-UHFFFAOYSA-N 1 1 394.519 4.125 40 0 GIABMO COc1ccc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cc1Cc1c(C)noc1C ZINC000012143737 221159079 /nfs/dbraw/zinc/15/90/79/221159079.db2.gz WYYRVTVHZZJNAW-UHFFFAOYSA-N 1 1 394.519 4.125 40 0 GIABMO Cc1[nH+]ccn1CCC1CCN(C(=O)CCCc2cn(C)c3ccccc23)CC1 ZINC000012147508 221160282 /nfs/dbraw/zinc/16/02/82/221160282.db2.gz ZNSKSFDLWFXCTH-UHFFFAOYSA-N 1 1 392.547 4.335 40 0 GIABMO CCCSc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 ZINC000012345466 221184024 /nfs/dbraw/zinc/18/40/24/221184024.db2.gz GAZNCIMWVNQRIV-QIDMFYOTSA-N 1 1 399.560 4.002 40 0 GIABMO Cc1cc(-c2cnc(NCCC[N@@H+]3CCC[C@@H](C)C3)nc2-c2ccco2)on1 ZINC000012184352 221163749 /nfs/dbraw/zinc/16/37/49/221163749.db2.gz JDADIFANMDHFMD-OAHLLOKOSA-N 1 1 381.480 4.234 40 0 GIABMO COc1ccccc1OCC[N@@H+](C)Cc1c2cccnc2[nH]c1-c1ccco1 ZINC000012222421 221169579 /nfs/dbraw/zinc/16/95/79/221169579.db2.gz VUFZXVBIBUVMCZ-UHFFFAOYSA-N 1 1 377.444 4.342 40 0 GIABMO Clc1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)c(Cl)c1 ZINC000013989992 221295128 /nfs/dbraw/zinc/29/51/28/221295128.db2.gz JHCYIMXLCGZNPJ-UHFFFAOYSA-N 1 1 394.346 4.113 40 0 GIABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](C2CCCCC2)C1 ZINC000015674244 221338876 /nfs/dbraw/zinc/33/88/76/221338876.db2.gz MFSPGDHTLRCGFM-ZBFHGGJFSA-N 1 1 397.397 4.076 40 0 biogenic,in-vitro GIABMO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000019020585 221395427 /nfs/dbraw/zinc/39/54/27/221395427.db2.gz QREANQFYNSXUFT-HXUWFJFHSA-N 1 1 392.330 4.478 40 0 GIABMO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019020491 221395436 /nfs/dbraw/zinc/39/54/36/221395436.db2.gz QTNJZGDTSIYJMT-HXUWFJFHSA-N 1 1 392.330 4.478 40 0 GIABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@@H+](Cc4cccc(F)c4)C3)cc2n1 ZINC000019117117 221396910 /nfs/dbraw/zinc/39/69/10/221396910.db2.gz VDJDQYVPBVCIKA-AWEZNQCLSA-N 1 1 378.373 4.185 40 0 GIABMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)c1OC ZINC000019120944 221397491 /nfs/dbraw/zinc/39/74/91/221397491.db2.gz AWGRCDWEAWQYLV-QGZVFWFLSA-N 1 1 382.464 4.118 40 0 GIABMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)c1OC ZINC000019120944 221397494 /nfs/dbraw/zinc/39/74/94/221397494.db2.gz AWGRCDWEAWQYLV-QGZVFWFLSA-N 1 1 382.464 4.118 40 0 GIABMO Cc1ccc(C)c([C@@H](NC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)c2ccncc2)c1 ZINC000019132164 221398175 /nfs/dbraw/zinc/39/81/75/221398175.db2.gz GDXZUXWTONVCDX-XZOQPEGZSA-N 1 1 391.490 4.346 40 0 GIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)C1 ZINC000030860478 221705073 /nfs/dbraw/zinc/70/50/73/221705073.db2.gz XHEJWBKZMRJKJL-IBGZPJMESA-N 1 1 388.515 4.034 40 0 GIABMO COc1ccc(C[N@@H+](CCCO)Cc2c3cccnc3[nH]c2C(C)C)cc1OC ZINC000057763019 222036256 /nfs/dbraw/zinc/03/62/56/222036256.db2.gz DVPUTJYABCKTQA-UHFFFAOYSA-N 1 1 397.519 4.088 40 0 GIABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)C1CCC1 ZINC000072330560 222229334 /nfs/dbraw/zinc/22/93/34/222229334.db2.gz HKHIBFGKJVGZOA-GCJKJVERSA-N 1 1 399.485 4.229 40 0 GIABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072345976 222232738 /nfs/dbraw/zinc/23/27/38/222232738.db2.gz IWVPEOKCDLJTRC-INIZCTEOSA-N 1 1 379.895 4.154 40 0 GIABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCCC1 ZINC000072348711 222235222 /nfs/dbraw/zinc/23/52/22/222235222.db2.gz WJEMDLQZBWQCRM-HXUWFJFHSA-N 1 1 395.522 4.003 40 0 GIABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cccc(Cc4cccc(C)c4)n3)C2)CC1 ZINC000072350202 222236351 /nfs/dbraw/zinc/23/63/51/222236351.db2.gz XNTLBEVPFQKWTK-JOCHJYFZSA-N 1 1 391.559 4.171 40 0 GIABMO Cn1cc(C[N@H+]2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000072349987 222236760 /nfs/dbraw/zinc/23/67/60/222236760.db2.gz XBCOKMUKRJQMRP-LJQANCHMSA-N 1 1 380.923 4.439 40 0 GIABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349513 222236900 /nfs/dbraw/zinc/23/69/00/222236900.db2.gz DFHYGJSAMZIJFJ-INIZCTEOSA-N 1 1 391.437 4.035 40 0 GIABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000072354860 222237430 /nfs/dbraw/zinc/23/74/30/222237430.db2.gz XVKZLFBTYGTOJK-FQEVSTJZSA-N 1 1 396.441 4.220 40 0 GIABMO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@H+](Cc3ccnn3C)C2)n1 ZINC000072352028 222237467 /nfs/dbraw/zinc/23/74/67/222237467.db2.gz OLEXUAWVDRJHFW-QGZVFWFLSA-N 1 1 379.483 4.386 40 0 GIABMO Cn1cc(C[N@H+]2CC[C@@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc21 ZINC000072352287 222237973 /nfs/dbraw/zinc/23/79/73/222237973.db2.gz ZTQRFDLFADZOGD-OAHLLOKOSA-N 1 1 389.524 4.481 40 0 GIABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000072358890 222239086 /nfs/dbraw/zinc/23/90/86/222239086.db2.gz RCGMAINBELRYLV-IBGZPJMESA-N 1 1 389.499 4.411 40 0 GIABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072379247 222245479 /nfs/dbraw/zinc/24/54/79/222245479.db2.gz KWUXCQAINAGYHQ-LJQANCHMSA-N 1 1 392.478 4.054 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc1 ZINC000096047554 222374345 /nfs/dbraw/zinc/37/43/45/222374345.db2.gz AQZMXTOWEQYTGF-XMMPIXPASA-N 1 1 396.506 4.382 40 0 GIABMO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000096245489 222402724 /nfs/dbraw/zinc/40/27/24/222402724.db2.gz OYHPIJOLBLGACP-OYRHEFFESA-N 1 1 389.524 4.014 40 0 GIABMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289809 560031455 /nfs/dbraw/zinc/03/14/55/560031455.db2.gz HQNJNDKPTCZPAV-SONWIMMPSA-N 1 1 392.543 4.060 40 0 biogenic,in-vitro GIABMO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cnc4ccccc4c3)n2)cn1 ZINC000035426093 560080631 /nfs/dbraw/zinc/08/06/31/560080631.db2.gz LPOMQQGMOVSQNO-IBGZPJMESA-N 1 1 386.459 4.059 40 0 biogenic,in-vitro GIABMO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cnc4ccccc4c3)n2)cn1 ZINC000035426093 560080633 /nfs/dbraw/zinc/08/06/33/560080633.db2.gz LPOMQQGMOVSQNO-IBGZPJMESA-N 1 1 386.459 4.059 40 0 biogenic,in-vitro GIABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169749 560084150 /nfs/dbraw/zinc/08/41/50/560084150.db2.gz GDSVQDFFKGKNMF-INIZCTEOSA-N 1 1 376.435 4.270 40 0 biogenic,in-vitro GIABMO COc1ccccc1C[N@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169758 560084223 /nfs/dbraw/zinc/08/42/23/560084223.db2.gz ALMRKJISCFJBKX-KRWDZBQOSA-N 1 1 388.471 4.140 40 0 biogenic,in-vitro GIABMO Cc1[nH+]ccn1[C@H](C(=O)NCc1cccc(N2CCCCC2)c1)c1ccccc1 ZINC000019718831 570209903 /nfs/dbraw/zinc/20/99/03/570209903.db2.gz UWHBDEDFJARLCQ-QHCPKHFHSA-N 1 1 388.515 4.088 40 0 GIABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C(C)C)[nH+]1)C2 ZINC000329043025 570214552 /nfs/dbraw/zinc/21/45/52/570214552.db2.gz SPKQYQSBKUUILN-UHFFFAOYSA-N 1 1 394.519 4.304 40 0 GIABMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)c1 ZINC000096244662 570224236 /nfs/dbraw/zinc/22/42/36/570224236.db2.gz HNYTZJGOPVRFFI-RUZDIDTESA-N 1 1 385.511 4.434 40 0 GIABMO O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096627725 570231542 /nfs/dbraw/zinc/23/15/42/570231542.db2.gz JQJNERCKHSFXES-IBGZPJMESA-N 1 1 381.495 4.277 40 0 GIABMO Cc1cc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(O)cc3)C2)cc(C)c1Cl ZINC000585272727 570242334 /nfs/dbraw/zinc/24/23/34/570242334.db2.gz JGONUXSLVRSJJS-NRFANRHFSA-N 1 1 375.896 4.068 40 0 GIABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](Cc3ccc4[nH]cnc4c3)CC2)c1 ZINC000585274460 570243895 /nfs/dbraw/zinc/24/38/95/570243895.db2.gz XSXIWZHUEYAIBA-JOCHJYFZSA-N 1 1 399.922 4.321 40 0 GIABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000585274460 570243897 /nfs/dbraw/zinc/24/38/97/570243897.db2.gz XSXIWZHUEYAIBA-JOCHJYFZSA-N 1 1 399.922 4.321 40 0 GIABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000585274460 570243899 /nfs/dbraw/zinc/24/38/99/570243899.db2.gz XSXIWZHUEYAIBA-JOCHJYFZSA-N 1 1 399.922 4.321 40 0 GIABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccccc1 ZINC000005341842 570253239 /nfs/dbraw/zinc/25/32/39/570253239.db2.gz FHFBPLPSTLMVAQ-PUHATCMVSA-N 1 1 382.479 4.133 40 0 GIABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1)Nc1ccccc1 ZINC000005341842 570253240 /nfs/dbraw/zinc/25/32/40/570253240.db2.gz FHFBPLPSTLMVAQ-PUHATCMVSA-N 1 1 382.479 4.133 40 0 GIABMO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000005478277 570255656 /nfs/dbraw/zinc/25/56/56/570255656.db2.gz IJTCPPUISHYVGE-WNSKOXEYSA-N 1 1 397.519 4.102 40 0 GIABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227546 570318937 /nfs/dbraw/zinc/31/89/37/570318937.db2.gz BYNCZRIQJCBJOY-UONOGXRCSA-N 1 1 375.177 4.427 40 0 GIABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4cccc5cccnc54)C3)n2)c1 ZINC000072369894 570339857 /nfs/dbraw/zinc/33/98/57/570339857.db2.gz HYZHKSCROBPHSZ-IBGZPJMESA-N 1 1 386.455 4.283 40 0 GIABMO CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)[NH+]1CCCCCC1 ZINC000004230702 570363431 /nfs/dbraw/zinc/36/34/31/570363431.db2.gz KJSMSTZOZKFJKA-HXUWFJFHSA-N 1 1 378.524 4.332 40 0 GIABMO CCOC(=O)N1CC[NH+](CCCCOc2ccc(C(C)(C)CC)cc2)CC1 ZINC000004429324 570375128 /nfs/dbraw/zinc/37/51/28/570375128.db2.gz PSAAJZQVMDDRNO-UHFFFAOYSA-N 1 1 376.541 4.307 40 0 GIABMO COC(=O)c1cn(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccc12 ZINC000222640077 570418129 /nfs/dbraw/zinc/41/81/29/570418129.db2.gz HMUFFRSKKRBFAY-QGZVFWFLSA-N 1 1 394.446 4.119 40 0 GIABMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C)c3OC)cc2Cl)CC1 ZINC000005644274 570449853 /nfs/dbraw/zinc/44/98/53/570449853.db2.gz PXPABQUQQQAOQQ-UHFFFAOYSA-N 1 1 387.911 4.051 40 0 GIABMO COc1ccccc1C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(F)c1)C2 ZINC000035289821 570455283 /nfs/dbraw/zinc/45/52/83/570455283.db2.gz UZWUFBOWNSSYPQ-SEJPIABJSA-N 1 1 382.479 4.150 40 0 GIABMO COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(OC)cc2)C3)cc1 ZINC000035289835 570455612 /nfs/dbraw/zinc/45/56/12/570455612.db2.gz XOWDABRQDALNQB-SEJPIABJSA-N 1 1 394.515 4.019 40 0 GIABMO CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)no2)cc1 ZINC000028296153 570457685 /nfs/dbraw/zinc/45/76/85/570457685.db2.gz GXAMKQUGPZILPI-IBGZPJMESA-N 1 1 397.475 4.002 40 0 GIABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)NCc2ccco2)C3)cc1 ZINC000035291791 570460664 /nfs/dbraw/zinc/46/06/64/570460664.db2.gz YQTFZQJPDBNJHZ-IHWFROFDSA-N 1 1 383.561 4.138 40 0 GIABMO O[C@H](COc1cccc2ccccc21)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000029589829 570476875 /nfs/dbraw/zinc/47/68/75/570476875.db2.gz DYMSKKWHGDKENB-IBGZPJMESA-N 1 1 396.918 4.055 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000030855455 570498809 /nfs/dbraw/zinc/49/88/09/570498809.db2.gz HCMDTWTUHMCOMT-QGZVFWFLSA-N 1 1 377.488 4.388 40 0 GIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1 ZINC000030871140 570500229 /nfs/dbraw/zinc/50/02/29/570500229.db2.gz MNJGPGARTOQKGU-QGZVFWFLSA-N 1 1 385.467 4.418 40 0 GIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)C1 ZINC000224333089 570509305 /nfs/dbraw/zinc/50/93/05/570509305.db2.gz HAGCZBGIJQZVLJ-KRWDZBQOSA-N 1 1 386.923 4.381 40 0 GIABMO COc1ccc([C@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)cc1 ZINC000035361734 570552300 /nfs/dbraw/zinc/55/23/00/570552300.db2.gz HIXCOBNUFVJSMU-AIYSXCBHSA-N 1 1 381.472 4.396 40 0 GIABMO c1csc(-c2cnc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc2-c2nccs2)c1 ZINC000036718970 570568124 /nfs/dbraw/zinc/56/81/24/570568124.db2.gz RHPXMDIASAJPPC-CQSZACIVSA-N 1 1 383.546 4.003 40 0 GIABMO COc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1Cl ZINC000225457032 570576271 /nfs/dbraw/zinc/57/62/71/570576271.db2.gz TZOZXPHOHMSXBH-UHFFFAOYSA-N 1 1 386.908 4.329 40 0 GIABMO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038855646 570588629 /nfs/dbraw/zinc/58/86/29/570588629.db2.gz HTTKIBFQVAGCNN-INIZCTEOSA-N 1 1 390.487 4.020 40 0 GIABMO CO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225635593 570596756 /nfs/dbraw/zinc/59/67/56/570596756.db2.gz IWICYXUBRAQMIB-SELNLUPBSA-N 1 1 388.552 4.474 40 0 GIABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225692772 570604074 /nfs/dbraw/zinc/60/40/74/570604074.db2.gz GEKFLSCAGRMPAL-XMSQKQJNSA-N 1 1 376.541 4.331 40 0 GIABMO FC(F)(F)c1cccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000225742568 570612125 /nfs/dbraw/zinc/61/21/25/570612125.db2.gz JEFZDJCGXXEHEY-UHFFFAOYSA-N 1 1 393.478 4.440 40 0 GIABMO CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044911855 570642333 /nfs/dbraw/zinc/64/23/33/570642333.db2.gz SZHVBUKDGDPLCM-IBGZPJMESA-N 1 1 398.478 4.162 40 0 GIABMO CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004887930 570642881 /nfs/dbraw/zinc/64/28/81/570642881.db2.gz MDTBONVCLDKIBB-FRIKZZABSA-N 1 1 378.516 4.401 40 0 GIABMO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000044949604 570645347 /nfs/dbraw/zinc/64/53/47/570645347.db2.gz QEHOARXMAKNOHZ-NRFANRHFSA-N 1 1 377.488 4.271 40 0 GIABMO COc1cccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000004966404 570653884 /nfs/dbraw/zinc/65/38/84/570653884.db2.gz NXVCFCCPJFPJEK-UHFFFAOYSA-N 1 1 381.501 4.123 40 0 GIABMO CCCO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260812508 570707306 /nfs/dbraw/zinc/70/73/06/570707306.db2.gz DOOYCVOGEWQIFB-JPYJTQIMSA-N 1 1 388.552 4.474 40 0 GIABMO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814756 570707739 /nfs/dbraw/zinc/70/77/39/570707739.db2.gz NDYPPFRVIJOHAF-XMSQKQJNSA-N 1 1 376.541 4.474 40 0 GIABMO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814485 570707774 /nfs/dbraw/zinc/70/77/74/570707774.db2.gz JKMRKYSZZNCFFN-XMSQKQJNSA-N 1 1 376.541 4.474 40 0 GIABMO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2[N@@H+]3Cc1ccccc1C(=O)[O-] ZINC000257207525 570761190 /nfs/dbraw/zinc/76/11/90/570761190.db2.gz BIDIFTAYEYNGJA-LYVDORBWSA-N 1 1 390.527 4.101 40 0 GIABMO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2[N@H+]3Cc1ccccc1C(=O)[O-] ZINC000257207525 570761192 /nfs/dbraw/zinc/76/11/92/570761192.db2.gz BIDIFTAYEYNGJA-LYVDORBWSA-N 1 1 390.527 4.101 40 0 GIABMO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)ncn1 ZINC000257230565 570764954 /nfs/dbraw/zinc/76/49/54/570764954.db2.gz GCWRCIVOAYAAMF-KRWDZBQOSA-N 1 1 387.487 4.294 40 0 GIABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000013674609 570771748 /nfs/dbraw/zinc/77/17/48/570771748.db2.gz GAOOBGXLVBTDDL-INIZCTEOSA-N 1 1 393.380 4.067 40 0 GIABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cncs1 ZINC000257265780 570772490 /nfs/dbraw/zinc/77/24/90/570772490.db2.gz MAFNSNXMKJMVFT-SLIDZQALSA-N 1 1 395.572 4.232 40 0 GIABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cncs4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257265781 570772676 /nfs/dbraw/zinc/77/26/76/570772676.db2.gz MAFNSNXMKJMVFT-VQYHNWKHSA-N 1 1 395.572 4.232 40 0 GIABMO Cc1csc(Nc2cccc([C@H]3C[N@H+](Cc4cccc(C)c4)CCO3)n2)n1 ZINC000257308004 570779442 /nfs/dbraw/zinc/77/94/42/570779442.db2.gz TVBPBKBBRCOORI-LJQANCHMSA-N 1 1 380.517 4.472 40 0 GIABMO Cc1csc(Nc2cccc([C@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)n2)n1 ZINC000257308004 570779445 /nfs/dbraw/zinc/77/94/45/570779445.db2.gz TVBPBKBBRCOORI-LJQANCHMSA-N 1 1 380.517 4.472 40 0 GIABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2ccccc2Cl)no1 ZINC000257312482 570779889 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IHCPDSURUBLFDO-XLIONFOSSA-N 1 1 385.510 4.072 40 0 GIABMO Clc1cccc(C[N@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306133861 570940952 /nfs/dbraw/zinc/94/09/52/570940952.db2.gz MXZNGKODTJSBEM-HSZRJFAPSA-N 1 1 390.918 4.294 40 0 GIABMO Cc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C1)COC2 ZINC000306135396 570941964 /nfs/dbraw/zinc/94/19/64/570941964.db2.gz OPUBZVXMKSBREC-QFIPXVFZSA-N 1 1 395.890 4.372 40 0 GIABMO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](C4CCC4)C3)nn2c1 ZINC000306136366 570942618 /nfs/dbraw/zinc/94/26/18/570942618.db2.gz PRJHNBLRWULAFM-INIZCTEOSA-N 1 1 380.467 4.276 40 0 GIABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306137501 570943101 /nfs/dbraw/zinc/94/31/01/570943101.db2.gz QXWWNPPJDBPOTN-NRFANRHFSA-N 1 1 399.498 4.180 40 0 GIABMO O=C(c1ccsc1)N1C[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)c2ncccc21 ZINC000306143839 570946635 /nfs/dbraw/zinc/94/66/35/570946635.db2.gz YNZUMIJYNPFWPT-JOCHJYFZSA-N 1 1 393.487 4.086 40 0 GIABMO COc1ccc(C[N@H+]2CC[C@@H](c3cc(-c4ccc(C)cc4)n[nH]3)C2)cc1OC ZINC000019212112 570960909 /nfs/dbraw/zinc/96/09/09/570960909.db2.gz IMKFNCKGSBDQNC-LJQANCHMSA-N 1 1 377.488 4.392 40 0 GIABMO Cc1ccsc1C[N@@H+](CCCN1CCOCC1)Cc1cc(F)ccc1F ZINC000019238572 570967979 /nfs/dbraw/zinc/96/79/79/570967979.db2.gz UUALHEOAASEDKX-UHFFFAOYSA-N 1 1 380.504 4.059 40 0 GIABMO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349215 570978831 /nfs/dbraw/zinc/97/88/31/570978831.db2.gz CWRNDNJRFGDDPD-ZJOUEHCJSA-N 1 1 384.520 4.114 40 0 GIABMO NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000019374146 570981578 /nfs/dbraw/zinc/98/15/78/570981578.db2.gz DURHKMYKZKNRDK-VWLOTQADSA-N 1 1 385.511 4.059 40 0 GIABMO CC(C)n1c(C[NH+]2CCC(n3c4ccccc4oc3=O)CC2)nc2ccccc21 ZINC000019454741 570986591 /nfs/dbraw/zinc/98/65/91/570986591.db2.gz BRLGTBAKKPTTQA-UHFFFAOYSA-N 1 1 390.487 4.362 40 0 GIABMO CCN1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527761 570998050 /nfs/dbraw/zinc/99/80/50/570998050.db2.gz HCTGDHXYBQFLNH-DEOSSOPVSA-N 1 1 399.538 4.272 40 0 GIABMO Cc1ncsc1-c1nnc([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)o1 ZINC000019562826 571006308 /nfs/dbraw/zinc/00/63/08/571006308.db2.gz HXXJIAKIWZPSKT-QGZVFWFLSA-N 1 1 391.500 4.429 40 0 GIABMO COc1cccc(C[N@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c1 ZINC000019564646 571006808 /nfs/dbraw/zinc/00/68/08/571006808.db2.gz MLVVJFADVZUJJW-QHCPKHFHSA-N 1 1 394.515 4.003 40 0 GIABMO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](C4CCCC4)C[C@@H]32)c1 ZINC000019566307 571008050 /nfs/dbraw/zinc/00/80/50/571008050.db2.gz RBUZMMMFLVYVHF-WXFUMESZSA-N 1 1 396.575 4.444 40 0 GIABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019568920 571009215 /nfs/dbraw/zinc/00/92/15/571009215.db2.gz GCPGQYKPYDDFJR-CQSZACIVSA-N 1 1 376.382 4.325 40 0 GIABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000019568938 571009338 /nfs/dbraw/zinc/00/93/38/571009338.db2.gz DOGGOEDFMQCGRT-CQSZACIVSA-N 1 1 391.397 4.028 40 0 GIABMO Cc1nc([C@@H]2CCCC[N@H+]2C(C)C)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703714 571031542 /nfs/dbraw/zinc/03/15/42/571031542.db2.gz DCAOKELIFCMJJO-FQEVSTJZSA-N 1 1 378.520 4.200 40 0 GIABMO Cc1nc([C@@H]2CCCC[N@@H+]2C(C)C)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019703714 571031543 /nfs/dbraw/zinc/03/15/43/571031543.db2.gz DCAOKELIFCMJJO-FQEVSTJZSA-N 1 1 378.520 4.200 40 0 GIABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c1 ZINC000019718152 571041259 /nfs/dbraw/zinc/04/12/59/571041259.db2.gz SPJVEAULZVWUKA-UHFFFAOYSA-N 1 1 376.391 4.286 40 0 GIABMO COc1ccc2[nH]cc([C@@H](O)C[N@H+]3CCC[C@@H](COc4ccccc4F)C3)c2c1 ZINC000019563203 818594604 /nfs/dbraw/zinc/59/46/04/818594604.db2.gz LXLWQXIHUUKAHK-ZHRRBRCNSA-N 1 1 398.478 4.140 40 0 GIABMO CCN(C(C)=O)[C@H]1C[N@@H+](Cc2cncn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703849 818600937 /nfs/dbraw/zinc/60/09/37/818600937.db2.gz OFAJAGLXPVRXKN-JOCHJYFZSA-N 1 1 394.563 4.077 40 0 GIABMO CC[N@H+]1CCC[C@](O)(c2nc(C)c(CCOc3ccc(F)c(F)c3)s2)CC1 ZINC000019705433 818601856 /nfs/dbraw/zinc/60/18/56/818601856.db2.gz OOGNFECQGFEIPU-HXUWFJFHSA-N 1 1 396.503 4.045 40 0 GIABMO COc1ccc2c(c1)c(C[N@H+]1CC[C@@H]3[C@H]1CCCCN3C(C)=O)cn2C(C)C ZINC000019712483 818602520 /nfs/dbraw/zinc/60/25/20/818602520.db2.gz IUBBNAJZRJIJCA-DHIUTWEWSA-N 1 1 383.536 4.206 40 0 GIABMO Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)c2ccccc21 ZINC000019712627 818602633 /nfs/dbraw/zinc/60/26/33/818602633.db2.gz QIPXUMSOFWWVFA-PWWKTKHKSA-N 1 1 387.527 4.205 40 0 GIABMO CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCCCc2ccccc2)c(Cl)c1 ZINC000001716760 212254259 /nfs/dbraw/zinc/25/42/59/212254259.db2.gz QAXPODLPPYVWCB-UHFFFAOYSA-N 1 1 383.927 4.091 40 0 GIABMO CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329006257 212092240 /nfs/dbraw/zinc/09/22/40/212092240.db2.gz LBIOACADXGSQAV-UHFFFAOYSA-N 1 1 380.414 4.493 40 0 GIABMO C[C@H](O)c1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CCCCC3)n1)C2 ZINC000328994477 212091684 /nfs/dbraw/zinc/09/16/84/212091684.db2.gz JEHCXGAXTBQJHM-INIZCTEOSA-N 1 1 392.547 4.137 40 0 GIABMO CC(C)[C@@H](CO)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C2CC2)[nH+]1 ZINC000328970329 212090775 /nfs/dbraw/zinc/09/07/75/212090775.db2.gz DIWRCCJBQGRHPK-HXUWFJFHSA-N 1 1 380.536 4.081 40 0 GIABMO CC(C)c1nc(N2Cc3ccccc3CC2(C)C)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328971247 212090612 /nfs/dbraw/zinc/09/06/12/212090612.db2.gz DOTDMSWUBMIKBM-IBGZPJMESA-N 1 1 382.552 4.370 40 0 GIABMO CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000328971247 212090616 /nfs/dbraw/zinc/09/06/16/212090616.db2.gz DOTDMSWUBMIKBM-IBGZPJMESA-N 1 1 382.552 4.370 40 0 GIABMO O=C(CN(c1ccc2c(c1)OCCO2)C1=[NH+]CCCCC1)c1ccc(F)cc1 ZINC000008418634 221040423 /nfs/dbraw/zinc/04/04/23/221040423.db2.gz IXHGMHPLFIUSND-UHFFFAOYSA-N 1 1 382.435 4.259 40 0 GIABMO COc1ccc(C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]2CCCO2)cc1OC ZINC000012118238 221153265 /nfs/dbraw/zinc/15/32/65/221153265.db2.gz XUDLKAIHVPRQCZ-NRFANRHFSA-N 1 1 392.499 4.433 40 0 GIABMO COc1cc2c(cc1C[N@@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)CCCC2 ZINC000012135145 221157267 /nfs/dbraw/zinc/15/72/67/221157267.db2.gz SREICTNIAPMCJA-OFFJZUQKSA-N 1 1 392.543 4.089 40 0 GIABMO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](CCc2ccccc2)Cc2ccc(F)cc2)on1 ZINC000012366512 221184546 /nfs/dbraw/zinc/18/45/46/221184546.db2.gz AYDLVYFBARREFZ-ZJSXRUAMSA-N 1 1 394.490 4.425 40 0 GIABMO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674128 221338458 /nfs/dbraw/zinc/33/84/58/221338458.db2.gz TWWCXDDCVKJYNH-IRLDBZIGSA-N 1 1 398.466 4.107 40 0 biogenic,in-vitro GIABMO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674128 221338461 /nfs/dbraw/zinc/33/84/61/221338461.db2.gz TWWCXDDCVKJYNH-IRLDBZIGSA-N 1 1 398.466 4.107 40 0 biogenic,in-vitro GIABMO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](CC(C)(C)C)C1 ZINC000019082814 221396700 /nfs/dbraw/zinc/39/67/00/221396700.db2.gz MDIIVOORQPBAGA-QHCPKHFHSA-N 1 1 383.536 4.101 40 0 GIABMO Cc1cc(C[N@H+]2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)oc1C ZINC000096242560 136185525 /nfs/dbraw/zinc/18/55/25/136185525.db2.gz DPPFCUTUAXZYII-UHFFFAOYSA-N 1 1 388.515 4.240 40 0 GIABMO C[C@H]1CCC[N@@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 ZINC000013563016 136201339 /nfs/dbraw/zinc/20/13/39/136201339.db2.gz RTGJEUCBKKRFRC-HNNXBMFYSA-N 1 1 391.471 4.105 40 0 GIABMO C[C@H]1CCC[N@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)C1 ZINC000013563016 136201340 /nfs/dbraw/zinc/20/13/40/136201340.db2.gz RTGJEUCBKKRFRC-HNNXBMFYSA-N 1 1 391.471 4.105 40 0 GIABMO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@@H]1CCCN(C/C=C/c3ccco3)C1)CC2 ZINC000072342496 222231663 /nfs/dbraw/zinc/23/16/63/222231663.db2.gz FSMFKTXHTIZVEI-QEMYPZFLSA-N 1 1 396.531 4.394 40 0 GIABMO COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCC[N@H+](C/C=C/c3ccco3)C1)CC2 ZINC000072342496 222231666 /nfs/dbraw/zinc/23/16/66/222231666.db2.gz FSMFKTXHTIZVEI-QEMYPZFLSA-N 1 1 396.531 4.394 40 0 GIABMO COc1cc2c(cc1OC)[C@@H](C)N([C@@H]1CCC[N@@H+](C/C=C/c3ccco3)C1)CC2 ZINC000072342496 222231670 /nfs/dbraw/zinc/23/16/70/222231670.db2.gz FSMFKTXHTIZVEI-QEMYPZFLSA-N 1 1 396.531 4.394 40 0 GIABMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)cc1 ZINC000072345902 222233317 /nfs/dbraw/zinc/23/33/17/222233317.db2.gz TZRIAGSSDBEOEM-SFHVURJKSA-N 1 1 392.478 4.253 40 0 GIABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 ZINC000072348772 222235567 /nfs/dbraw/zinc/23/55/67/222235567.db2.gz NMMMRMMXBCZEKB-GOSISDBHSA-N 1 1 383.923 4.204 40 0 GIABMO Cc1cc(N2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)nc(C)[nH+]1 ZINC000072352433 222237424 /nfs/dbraw/zinc/23/74/24/222237424.db2.gz WDBKIOHCIMCXKU-OAHLLOKOSA-N 1 1 380.517 4.004 40 0 GIABMO O=C(C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1)N1CCCC1 ZINC000072357653 222240146 /nfs/dbraw/zinc/24/01/46/222240146.db2.gz XFRWSXZMDFTCLD-NRFANRHFSA-N 1 1 383.923 4.085 40 0 GIABMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1)N1CCCC1 ZINC000072357653 222240148 /nfs/dbraw/zinc/24/01/48/222240148.db2.gz XFRWSXZMDFTCLD-NRFANRHFSA-N 1 1 383.923 4.085 40 0 GIABMO CCn1ccnc1C[N@H+]1CCCCC[C@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370700 222240680 /nfs/dbraw/zinc/24/06/80/222240680.db2.gz ZKSJAYCYMMHYBL-INIZCTEOSA-N 1 1 396.560 4.204 40 0 GIABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1CC1CC1 ZINC000072370437 222241211 /nfs/dbraw/zinc/24/12/11/222241211.db2.gz JNWVBGHGNXEPSK-KRWDZBQOSA-N 1 1 386.561 4.085 40 0 GIABMO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@@H+]2CCCc2ccccc2)n[nH]1 ZINC000072380624 222243832 /nfs/dbraw/zinc/24/38/32/222243832.db2.gz UCXRTMZOGVNORI-JOCHJYFZSA-N 1 1 380.536 4.242 40 0 GIABMO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@H+]2CCCc2ccccc2)n[nH]1 ZINC000072380624 222243838 /nfs/dbraw/zinc/24/38/38/222243838.db2.gz UCXRTMZOGVNORI-JOCHJYFZSA-N 1 1 380.536 4.242 40 0 GIABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 ZINC000072378989 222244172 /nfs/dbraw/zinc/24/41/72/222244172.db2.gz OROLQUONECKOOI-OAQYLSRUSA-N 1 1 388.515 4.305 40 0 GIABMO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)n1 ZINC000072376214 222244833 /nfs/dbraw/zinc/24/48/33/222244833.db2.gz RGKJLEOFXQDFHG-LJQANCHMSA-N 1 1 378.455 4.103 40 0 GIABMO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)n1 ZINC000072376214 222244837 /nfs/dbraw/zinc/24/48/37/222244837.db2.gz RGKJLEOFXQDFHG-LJQANCHMSA-N 1 1 378.455 4.103 40 0 GIABMO Cn1cnc2c1cc(C1CC[NH+](Cc3nccs3)CC1)nc2-c1ccccc1 ZINC000096099927 222379714 /nfs/dbraw/zinc/37/97/14/222379714.db2.gz BEFQNELEUFGRHM-UHFFFAOYSA-N 1 1 389.528 4.471 40 0 GIABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](CC2CCCC2)CC[C@@]1(C)O ZINC000514290015 560030663 /nfs/dbraw/zinc/03/06/63/560030663.db2.gz UZPRWGCIQSVXOD-JAXLGGSGSA-N 1 1 392.609 4.357 40 0 biogenic,in-vitro GIABMO COc1ccc(-c2cc(C(=O)Nc3cccc(Cn4cc[nH+]c4C)c3)on2)cc1 ZINC000019718907 570210257 /nfs/dbraw/zinc/21/02/57/570210257.db2.gz HEDIYLRBKUPNOJ-UHFFFAOYSA-N 1 1 388.427 4.156 40 0 GIABMO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCC[N@@H+](CC(C)(C)C)C4)ccc23)n1 ZINC000019742888 570212815 /nfs/dbraw/zinc/21/28/15/570212815.db2.gz WUYLATMZXMORSV-QGZVFWFLSA-N 1 1 392.551 4.499 40 0 GIABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCC[N@H+](CC(C)(C)C)C4)ccc32)n1 ZINC000019742888 570212817 /nfs/dbraw/zinc/21/28/17/570212817.db2.gz WUYLATMZXMORSV-QGZVFWFLSA-N 1 1 392.551 4.499 40 0 GIABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCC[N@@H+](CC(C)(C)C)C4)ccc32)n1 ZINC000019742888 570212820 /nfs/dbraw/zinc/21/28/20/570212820.db2.gz WUYLATMZXMORSV-QGZVFWFLSA-N 1 1 392.551 4.499 40 0 GIABMO CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020457803 570259509 /nfs/dbraw/zinc/25/95/09/570259509.db2.gz ZJRUAQABZHUPSE-GOSISDBHSA-N 1 1 393.531 4.309 40 0 GIABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH+]c(N3CCCC3)cc2C)cc1 ZINC000072218899 570318026 /nfs/dbraw/zinc/31/80/26/570318026.db2.gz XIWCRGNPYVODRT-NRFANRHFSA-N 1 1 399.560 4.215 40 0 GIABMO [NH3+][C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227547 570319004 /nfs/dbraw/zinc/31/90/04/570319004.db2.gz BYNCZRIQJCBJOY-KBPBESRZSA-N 1 1 375.177 4.427 40 0 GIABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936233 570322594 /nfs/dbraw/zinc/32/25/94/570322594.db2.gz ARYQIIRDHCXNGX-UGKGYDQZSA-N 1 1 384.495 4.314 40 0 GIABMO C[NH+]1CCN(C(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)CC1 ZINC000408575938 570342574 /nfs/dbraw/zinc/34/25/74/570342574.db2.gz OWYMUFNMUJXOTQ-UHFFFAOYSA-N 1 1 395.355 4.495 40 0 GIABMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Cl ZINC000408629048 570381088 /nfs/dbraw/zinc/38/10/88/570381088.db2.gz JRHKCAPMZLCXOW-UHFFFAOYSA-N 1 1 378.303 4.306 40 0 GIABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NC(=S)Nc2ccccc2C)C3)cc1 ZINC000035291747 570460559 /nfs/dbraw/zinc/46/05/59/570460559.db2.gz NDJRDINZLOPMIJ-IHWFROFDSA-N 1 1 395.572 4.486 40 0 GIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000223739433 570482344 /nfs/dbraw/zinc/48/23/44/570482344.db2.gz RGUJJJYPABEHKU-UHFFFAOYSA-N 1 1 391.515 4.346 40 0 GIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000224896375 570536788 /nfs/dbraw/zinc/53/67/88/570536788.db2.gz LPIAATKGYWEHHR-UHFFFAOYSA-N 1 1 375.350 4.391 40 0 GIABMO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225059100 570545652 /nfs/dbraw/zinc/54/56/52/570545652.db2.gz AXDAFTBKABMVMB-DEOSSOPVSA-N 1 1 392.543 4.067 40 0 GIABMO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000035291770 570551259 /nfs/dbraw/zinc/55/12/59/570551259.db2.gz ZGGMLIYXJDISFJ-UHFFFAOYSA-N 1 1 398.894 4.043 40 0 GIABMO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000225326468 570564876 /nfs/dbraw/zinc/56/48/76/570564876.db2.gz GGJOEQZCEKHFEN-MSOLQXFVSA-N 1 1 396.531 4.427 40 0 GIABMO C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)C1 ZINC000036741210 570569484 /nfs/dbraw/zinc/56/94/84/570569484.db2.gz CIHOOYRCGOLJIW-HXOBKFHXSA-N 1 1 396.506 4.184 40 0 GIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000038753732 570581862 /nfs/dbraw/zinc/58/18/62/570581862.db2.gz ZCTDCHZOSHFNDG-UHFFFAOYSA-N 1 1 385.920 4.384 40 0 GIABMO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000038771895 570583039 /nfs/dbraw/zinc/58/30/39/570583039.db2.gz JISJNWQUWPZCHL-OAQYLSRUSA-N 1 1 377.488 4.271 40 0 GIABMO CC(C)OCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038858612 570588226 /nfs/dbraw/zinc/58/82/26/570588226.db2.gz PEAMTKRYZYRZME-OAHLLOKOSA-N 1 1 387.351 4.137 40 0 GIABMO CC(C)OCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038858612 570588228 /nfs/dbraw/zinc/58/82/28/570588228.db2.gz PEAMTKRYZYRZME-OAHLLOKOSA-N 1 1 387.351 4.137 40 0 GIABMO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225591258 570591828 /nfs/dbraw/zinc/59/18/28/570591828.db2.gz NBNLTNLHNRCLTR-UHFFFAOYSA-N 1 1 398.975 4.483 40 0 GIABMO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225672072 570601115 /nfs/dbraw/zinc/60/11/15/570601115.db2.gz ISRBTBSKIKDXRL-WZONZLPQSA-N 1 1 388.552 4.331 40 0 GIABMO Cc1cc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1Br ZINC000225728190 570609781 /nfs/dbraw/zinc/60/97/81/570609781.db2.gz JXHQWLOOAUFRCS-OKILXGFUSA-N 1 1 398.414 4.412 40 0 GIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 ZINC000225753190 570613322 /nfs/dbraw/zinc/61/33/22/570613322.db2.gz TVSGSYNUDDCWFG-KRWDZBQOSA-N 1 1 389.499 4.143 40 0 GIABMO CCn1c2ccccc2nc1C[N@@H+](CCCn1ccnc1)Cc1cccc(F)c1 ZINC000043277706 570626177 /nfs/dbraw/zinc/62/61/77/570626177.db2.gz FGJZEVOPDWNLDD-UHFFFAOYSA-N 1 1 391.494 4.484 40 0 GIABMO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1c(C)nc2sccn12 ZINC000043277816 570626959 /nfs/dbraw/zinc/62/69/59/570626959.db2.gz CSEAFLOUMSFKJB-UHFFFAOYSA-N 1 1 395.532 4.002 40 0 GIABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1c(C)nc2sccn12 ZINC000043277816 570626964 /nfs/dbraw/zinc/62/69/64/570626964.db2.gz CSEAFLOUMSFKJB-UHFFFAOYSA-N 1 1 395.532 4.002 40 0 GIABMO CCOc1ccccc1CCCNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044909997 570642267 /nfs/dbraw/zinc/64/22/67/570642267.db2.gz OJEUDOWSUIXFIY-UHFFFAOYSA-N 1 1 377.488 4.001 40 0 GIABMO CCOc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044919952 570643396 /nfs/dbraw/zinc/64/33/96/570643396.db2.gz CTYMRIQNGDGGKM-IBGZPJMESA-N 1 1 386.923 4.267 40 0 GIABMO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933143 570643863 /nfs/dbraw/zinc/64/38/63/570643863.db2.gz TULIAJBVIRCGBA-QFBILLFUSA-N 1 1 386.923 4.438 40 0 GIABMO COc1ccc2cc(C[N@H+](Cc3sccc3C)C[C@@H](C)O)c(OC)nc2c1 ZINC000057810266 570703807 /nfs/dbraw/zinc/70/38/07/570703807.db2.gz IOOWUNDSDDDEEI-OAHLLOKOSA-N 1 1 386.517 4.005 40 0 GIABMO COC1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260816736 570707708 /nfs/dbraw/zinc/70/77/08/570707708.db2.gz PCLTUTSTDSKXKE-KPRXVCGWSA-N 1 1 388.552 4.331 40 0 GIABMO Cc1ccccc1-c1noc([C@H]2CC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)n1 ZINC000257238837 570767410 /nfs/dbraw/zinc/76/74/10/570767410.db2.gz HMSPNMZWHJNTHN-AWEZNQCLSA-N 1 1 397.862 4.417 40 0 GIABMO O=C1CCCC[C@]2(C[N@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2c2cccc(F)c2)N1 ZINC000257277800 570774519 /nfs/dbraw/zinc/77/45/19/570774519.db2.gz NZKYMFWVYIVQBW-XUZZJYLKSA-N 1 1 391.490 4.335 40 0 GIABMO C=C1[NH+]=C(SCC(C)C)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000033698929 570910571 /nfs/dbraw/zinc/91/05/71/570910571.db2.gz ZOGLCKPMGUHFIM-GOSISDBHSA-N 1 1 376.522 4.312 40 0 GIABMO Cc1ccc(CC(=O)N2CCC3(CC2)C[N@@H+](C(C)C)Cc2ccccc23)cc1 ZINC000585105723 570932500 /nfs/dbraw/zinc/93/25/00/570932500.db2.gz CQCMJLFPWHCSNL-UHFFFAOYSA-N 1 1 376.544 4.322 40 0 GIABMO Cc1ccc(C[N@@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306125553 570936849 /nfs/dbraw/zinc/93/68/49/570936849.db2.gz CTTNPNRUQVOXTO-UYAOXDASSA-N 1 1 385.510 4.072 40 0 GIABMO Cc1ccc(C[N@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)s1 ZINC000306125553 570936850 /nfs/dbraw/zinc/93/68/50/570936850.db2.gz CTTNPNRUQVOXTO-UYAOXDASSA-N 1 1 385.510 4.072 40 0 GIABMO COc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4cccc(C)c4)cnc2CO3)cc1 ZINC000306128930 570938667 /nfs/dbraw/zinc/93/86/67/570938667.db2.gz HOPYPVHPRIRCPL-DEOSSOPVSA-N 1 1 389.499 4.042 40 0 GIABMO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccc(F)cc4)C2)OC3)cc1 ZINC000306130781 570939248 /nfs/dbraw/zinc/93/92/48/570939248.db2.gz JPFNYXZCDJTZJU-QHCPKHFHSA-N 1 1 377.463 4.173 40 0 GIABMO Cc1ccc(C[N@H+]2CC[C@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)s1 ZINC000306132723 570940273 /nfs/dbraw/zinc/94/02/73/570940273.db2.gz LQILQEPBYKZMOW-OAQYLSRUSA-N 1 1 395.553 4.317 40 0 GIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccoc5)C4)nn3c2)c1 ZINC000306133484 570941097 /nfs/dbraw/zinc/94/10/97/570941097.db2.gz MMZCVNMIPRQYMZ-HXUWFJFHSA-N 1 1 388.471 4.378 40 0 GIABMO c1cc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cs1 ZINC000306138227 570943271 /nfs/dbraw/zinc/94/32/71/570943271.db2.gz RSSGXEVUMGLWGY-IBGZPJMESA-N 1 1 375.501 4.232 40 0 GIABMO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306137502 570943290 /nfs/dbraw/zinc/94/32/90/570943290.db2.gz QXWWNPPJDBPOTN-OAQYLSRUSA-N 1 1 399.498 4.180 40 0 GIABMO COc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)cc1 ZINC000306144155 570946579 /nfs/dbraw/zinc/94/65/79/570946579.db2.gz YXWUIISTLWHBKK-DEOSSOPVSA-N 1 1 389.499 4.042 40 0 GIABMO CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2Cc1cccc(C)n1 ZINC000019236302 570966232 /nfs/dbraw/zinc/96/62/32/570966232.db2.gz VHTRRBDEZNFZGO-WXFUMESZSA-N 1 1 377.532 4.149 40 0 GIABMO Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CC1 ZINC000019237250 570966810 /nfs/dbraw/zinc/96/68/10/570966810.db2.gz XLFYOZINLGYXOK-FKBYEOEOSA-N 1 1 380.557 4.283 40 0 GIABMO COCCC[N@H+](Cc1c(C)nn(-c2ccccc2C)c1C)Cc1ccccn1 ZINC000019237579 570967447 /nfs/dbraw/zinc/96/74/47/570967447.db2.gz BHZSHSSUIICSGN-UHFFFAOYSA-N 1 1 378.520 4.231 40 0 GIABMO COCCC[N@@H+](Cc1c(C)nn(-c2ccccc2C)c1C)Cc1ccccn1 ZINC000019237579 570967449 /nfs/dbraw/zinc/96/74/49/570967449.db2.gz BHZSHSSUIICSGN-UHFFFAOYSA-N 1 1 378.520 4.231 40 0 GIABMO Cc1ccsc1C[N@@H+](CCCN1CCOCC1)Cc1cccc2ncccc12 ZINC000019238582 570967751 /nfs/dbraw/zinc/96/77/51/570967751.db2.gz BHEUKVXHELYZHD-UHFFFAOYSA-N 1 1 395.572 4.329 40 0 GIABMO COc1ccc(C[C@H](C(=O)OC2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000004492142 570975978 /nfs/dbraw/zinc/97/59/78/570975978.db2.gz GNHPJGJHBNDLTI-KFPISFJZSA-N 1 1 381.516 4.436 40 0 GIABMO c1ccc(COc2ccccc2C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)nc1 ZINC000019348714 570978594 /nfs/dbraw/zinc/97/85/94/570978594.db2.gz BXEPGMRIABJDJJ-HSZRJFAPSA-N 1 1 389.499 4.237 40 0 GIABMO c1ccc(COc2ccccc2C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)nc1 ZINC000019348714 570978599 /nfs/dbraw/zinc/97/85/99/570978599.db2.gz BXEPGMRIABJDJJ-HSZRJFAPSA-N 1 1 389.499 4.237 40 0 GIABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](CC2CC2)C1 ZINC000019448927 570984849 /nfs/dbraw/zinc/98/48/49/570984849.db2.gz BMAUVIDVHDFHMH-RUZDIDTESA-N 1 1 391.559 4.308 40 0 GIABMO COc1ccccc1-c1ccc(CN2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497386 570989971 /nfs/dbraw/zinc/98/99/71/570989971.db2.gz VCPMNXIKEUVYHL-PMACEKPBSA-N 1 1 394.559 4.436 40 0 GIABMO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3C3CCSCC3)cc2n1 ZINC000019522329 570995066 /nfs/dbraw/zinc/99/50/66/570995066.db2.gz CZEMGAWBWRQKSX-HNNXBMFYSA-N 1 1 384.471 4.343 40 0 GIABMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000100226850 570995543 /nfs/dbraw/zinc/99/55/43/570995543.db2.gz QPMCHOOYPAUDMX-XQBPLPMBSA-N 1 1 396.531 4.176 40 0 GIABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cnn(C2CCCCC2)c1)Cc1cccnc1 ZINC000019527195 570997764 /nfs/dbraw/zinc/99/77/64/570997764.db2.gz NMRCFIOMKNYVKO-HSZRJFAPSA-N 1 1 381.568 4.270 40 0 GIABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019568935 571009370 /nfs/dbraw/zinc/00/93/70/571009370.db2.gz SVNKSIKXPCARBP-AWEZNQCLSA-N 1 1 376.382 4.325 40 0 GIABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cc(C2CC2)on1 ZINC000019590191 571017185 /nfs/dbraw/zinc/01/71/85/571017185.db2.gz UMTNRRLRPXBHBQ-SYYKKAFVSA-N 1 1 379.504 4.035 40 0 GIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2cc(-c3cncnc3)cc(C)n2)cc1 ZINC000019691051 571029159 /nfs/dbraw/zinc/02/91/59/571029159.db2.gz DGLGMSYSCOBRRX-QHCPKHFHSA-N 1 1 387.487 4.143 40 0 GIABMO Cc1cc(N2CCO[C@H](c3ccc(Cc4ccccc4Cl)cn3)C2)nc(C)[nH+]1 ZINC000019692923 818599452 /nfs/dbraw/zinc/59/94/52/818599452.db2.gz KDYRSQRCCBSGLQ-NRFANRHFSA-N 1 1 394.906 4.311 40 0 GIABMO O=C(CCc1ccc(Cl)cc1Cl)NCCC[N@H+]1CCc2ccccc2C1 ZINC000225379135 231034333 /nfs/dbraw/zinc/03/43/33/231034333.db2.gz QVJYNODXMZULOW-UHFFFAOYSA-N 1 1 391.342 4.491 40 0 GIABMO Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)cc2ccccc21 ZINC000257198541 212139619 /nfs/dbraw/zinc/13/96/19/212139619.db2.gz BZWKNVPOTFOSOP-JXKFMYIUSA-N 1 1 389.543 4.214 40 0 GIABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc[nH+]c(NC3CCCC3)n1)C2 ZINC000328962575 212090158 /nfs/dbraw/zinc/09/01/58/212090158.db2.gz BJHYFDKUXHALRE-UHFFFAOYSA-N 1 1 378.398 4.292 40 0 GIABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](Cc2ccccc2)C1 ZINC000015674140 221338938 /nfs/dbraw/zinc/33/89/38/221338938.db2.gz IFPDPJJYUWRJKU-SJORKVTESA-N 1 1 389.377 4.063 40 0 biogenic,in-vitro GIABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](Cc2ccccc2)C1 ZINC000015674140 221338939 /nfs/dbraw/zinc/33/89/39/221338939.db2.gz IFPDPJJYUWRJKU-SJORKVTESA-N 1 1 389.377 4.063 40 0 biogenic,in-vitro GIABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019014401 221393418 /nfs/dbraw/zinc/39/34/18/221393418.db2.gz BDBIMRNMQQDODP-NFNYSAHWSA-N 1 1 387.478 4.084 40 0 GIABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019081873 221395860 /nfs/dbraw/zinc/39/58/60/221395860.db2.gz KRKFTHKVXUPRMG-WIYYLYMNSA-N 1 1 383.511 4.336 40 0 GIABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019081955 221397080 /nfs/dbraw/zinc/39/70/80/221397080.db2.gz JPPYRTFLYWLVLC-RXVVDRJESA-N 1 1 383.511 4.336 40 0 GIABMO Cc1cc2nc([C@H]3CCCN3C(=O)CCn3cc[nH+]c3C(C)C)[nH]c2cc1C ZINC000019125346 221397358 /nfs/dbraw/zinc/39/73/58/221397358.db2.gz VXYUHVNRSIIIJC-LJQANCHMSA-N 1 1 379.508 4.253 40 0 GIABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000072344790 222233783 /nfs/dbraw/zinc/23/37/83/222233783.db2.gz LJRHYITURAQAQH-SFHVURJKSA-N 1 1 394.544 4.123 40 0 GIABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCCC1 ZINC000072348712 222234279 /nfs/dbraw/zinc/23/42/79/222234279.db2.gz WJEMDLQZBWQCRM-FQEVSTJZSA-N 1 1 395.522 4.003 40 0 GIABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072348758 222235105 /nfs/dbraw/zinc/23/51/05/222235105.db2.gz DSHFNVPNZKRIKI-OAQYLSRUSA-N 1 1 379.548 4.029 40 0 GIABMO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)c1 ZINC000072348690 222235385 /nfs/dbraw/zinc/23/53/85/222235385.db2.gz MKODFCDEBCDALS-JOCHJYFZSA-N 1 1 385.511 4.270 40 0 GIABMO Cc1cccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccccn4)C3)n2)c1 ZINC000072349539 222236374 /nfs/dbraw/zinc/23/63/74/222236374.db2.gz NCQGFYFUAYCHSL-HXUWFJFHSA-N 1 1 386.499 4.270 40 0 GIABMO Cc1cccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccccn4)C3)n2)c1 ZINC000072349539 222236376 /nfs/dbraw/zinc/23/63/76/222236376.db2.gz NCQGFYFUAYCHSL-HXUWFJFHSA-N 1 1 386.499 4.270 40 0 GIABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccc5ccccc5n4)C3)n2)c1 ZINC000072369891 222241475 /nfs/dbraw/zinc/24/14/75/222241475.db2.gz FRNUGLUWGZHCGL-GOSISDBHSA-N 1 1 386.455 4.283 40 0 GIABMO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000072379122 222245573 /nfs/dbraw/zinc/24/55/73/222245573.db2.gz KNBPVFLXYWMHFN-IBGZPJMESA-N 1 1 376.504 4.218 40 0 GIABMO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613601 533836005 /nfs/dbraw/zinc/83/60/05/533836005.db2.gz YRVWVZBFXPERER-IBGZPJMESA-N 1 1 384.907 4.012 40 0 GIABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1conc1-c1ccccc1 ZINC000225870191 534362092 /nfs/dbraw/zinc/36/20/92/534362092.db2.gz YCQHCMOFFJJAMT-UHFFFAOYSA-N 1 1 392.846 4.385 40 0 GIABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cc4ccccc4o3)n2)cn1 ZINC000035426295 560080718 /nfs/dbraw/zinc/08/07/18/560080718.db2.gz FZSLWJJPUWRKOV-SFHVURJKSA-N 1 1 389.459 4.281 40 0 biogenic,in-vitro GIABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cc4ccccc4o3)n2)cn1 ZINC000035426295 560080719 /nfs/dbraw/zinc/08/07/19/560080719.db2.gz FZSLWJJPUWRKOV-SFHVURJKSA-N 1 1 389.459 4.281 40 0 biogenic,in-vitro GIABMO Nc1ncnc2nc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000019743011 570212525 /nfs/dbraw/zinc/21/25/25/570212525.db2.gz RKYJKBCLEGVUDI-AWEZNQCLSA-N 1 1 387.409 4.005 40 0 GIABMO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245468 570224206 /nfs/dbraw/zinc/22/42/06/570224206.db2.gz QMUVPSDUWGLZLP-HDICACEKSA-N 1 1 389.326 4.126 40 0 GIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C1 ZINC000019933291 570231166 /nfs/dbraw/zinc/23/11/66/570231166.db2.gz HHFBZNQFCWSMTF-IBGZPJMESA-N 1 1 395.522 4.020 40 0 GIABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)[C@H](CO)[C@@H]1O ZINC000585295193 570275301 /nfs/dbraw/zinc/27/53/01/570275301.db2.gz PFISETHFTVLNOF-DNVJHFABSA-N 1 1 379.525 4.045 40 0 GIABMO CCOc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=[NH+]CCCC2)cc1 ZINC000006870345 570294691 /nfs/dbraw/zinc/29/46/91/570294691.db2.gz MWPQMXGASPKSIW-UHFFFAOYSA-N 1 1 396.487 4.374 40 0 GIABMO COc1ccc(CN(C)C(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000022519724 570319738 /nfs/dbraw/zinc/31/97/38/570319738.db2.gz WSWNSAPYJUAPNL-GOSISDBHSA-N 1 1 396.531 4.208 40 0 GIABMO CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118924043 570368033 /nfs/dbraw/zinc/36/80/33/570368033.db2.gz LEWNLHKUUYCCDG-DMRDWKPJSA-N 1 1 399.575 4.380 40 0 GIABMO CCSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000223002224 570436684 /nfs/dbraw/zinc/43/66/84/570436684.db2.gz ZFXZJVASVYCHLG-CYBMUJFWSA-N 1 1 376.551 4.134 40 0 GIABMO CC(C)(C)c1ccc(CCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000029882731 570481836 /nfs/dbraw/zinc/48/18/36/570481836.db2.gz QRLYBMHEKGMPPP-UHFFFAOYSA-N 1 1 394.559 4.065 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000030754578 570494794 /nfs/dbraw/zinc/49/47/94/570494794.db2.gz YXDGOEQGEFKYDW-UHFFFAOYSA-N 1 1 383.879 4.146 40 0 GIABMO Fc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000033889273 570529750 /nfs/dbraw/zinc/52/97/50/570529750.db2.gz QDUXNYYNRFYEGY-XWDORNJCSA-N 1 1 385.552 4.418 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(OC(C)C)cc1 ZINC000225451134 570575540 /nfs/dbraw/zinc/57/55/40/570575540.db2.gz RWJXUIMGXAZLAB-UHFFFAOYSA-N 1 1 380.517 4.455 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1cccc(OC(C)C)c1 ZINC000225451186 570575577 /nfs/dbraw/zinc/57/55/77/570575577.db2.gz RMWMIWOMGUILGI-UHFFFAOYSA-N 1 1 380.517 4.455 40 0 GIABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000038834636 570585910 /nfs/dbraw/zinc/58/59/10/570585910.db2.gz LLNYQYIQPIFVEO-MRXNPFEDSA-N 1 1 388.895 4.208 40 0 GIABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225575148 570589812 /nfs/dbraw/zinc/58/98/12/570589812.db2.gz STVMTUMMVPUZMH-UHFFFAOYSA-N 1 1 376.859 4.338 40 0 GIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(Br)cc1 ZINC000225580765 570590909 /nfs/dbraw/zinc/59/09/09/570590909.db2.gz VIHFVTBVGTZOEW-INIZCTEOSA-N 1 1 384.387 4.390 40 0 GIABMO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[N@H+]2CCCC[C@@H]2CC)c1 ZINC000225582893 570590841 /nfs/dbraw/zinc/59/08/41/570590841.db2.gz BPZLRJJLVIASQI-SFHVURJKSA-N 1 1 391.581 4.113 40 0 GIABMO CO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225635511 570596789 /nfs/dbraw/zinc/59/67/89/570596789.db2.gz PBHMGWBUHIJJRX-DNVFCKCGSA-N 1 1 388.552 4.331 40 0 GIABMO C[C@H]1Cc2cc(C[N@@H+](CCCn3ccnc3)Cc3ccccc3F)ccc2O1 ZINC000043277865 570626737 /nfs/dbraw/zinc/62/67/37/570626737.db2.gz IFWBOHUNBMDNKM-SFHVURJKSA-N 1 1 379.479 4.438 40 0 GIABMO COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000044856265 570636583 /nfs/dbraw/zinc/63/65/83/570636583.db2.gz RMYVLZUCYJWXLW-JOCHJYFZSA-N 1 1 375.472 4.056 40 0 GIABMO COc1ccccc1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000044906712 570641852 /nfs/dbraw/zinc/64/18/52/570641852.db2.gz KWRKHDHILSYTQH-LJQANCHMSA-N 1 1 380.532 4.290 40 0 GIABMO O=C(NCCCc1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044906471 570641931 /nfs/dbraw/zinc/64/19/31/570641931.db2.gz BQSDCLTZGGACHC-IBGZPJMESA-N 1 1 388.914 4.440 40 0 GIABMO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2C)cc1 ZINC000060016620 570660456 /nfs/dbraw/zinc/66/04/56/570660456.db2.gz OBTLZZMYKIUSHR-QLCNHFPUSA-N 1 1 381.520 4.240 40 0 GIABMO Cc1cc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)ccc1Br ZINC000260737695 570700654 /nfs/dbraw/zinc/70/06/54/570700654.db2.gz NHIWLKWIWLRYSQ-ZDUSSCGKSA-N 1 1 384.387 4.166 40 0 GIABMO Oc1ccc(-c2n[nH]cc2C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000057811159 570704553 /nfs/dbraw/zinc/70/45/53/570704553.db2.gz LGHPRDJYWANGFT-OAQYLSRUSA-N 1 1 381.451 4.103 40 0 GIABMO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260812509 570707246 /nfs/dbraw/zinc/70/72/46/570707246.db2.gz DOOYCVOGEWQIFB-WZONZLPQSA-N 1 1 388.552 4.474 40 0 GIABMO CO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260816732 570707343 /nfs/dbraw/zinc/70/73/43/570707343.db2.gz PBHMGWBUHIJJRX-SELNLUPBSA-N 1 1 388.552 4.331 40 0 GIABMO Cc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1C ZINC000260850776 570711319 /nfs/dbraw/zinc/71/13/19/570711319.db2.gz QSEBTIAEKIWTNZ-SFHVURJKSA-N 1 1 380.532 4.344 40 0 GIABMO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257199600 570759564 /nfs/dbraw/zinc/75/95/64/570759564.db2.gz AABJAEJOKCUZDU-OAQYLSRUSA-N 1 1 378.451 4.241 40 0 GIABMO Cc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(Nc3ccc(F)cn3)cn2)C1 ZINC000257199600 570759567 /nfs/dbraw/zinc/75/95/67/570759567.db2.gz AABJAEJOKCUZDU-OAQYLSRUSA-N 1 1 378.451 4.241 40 0 GIABMO Cc1nc([C@@H]2CCC[N@@H+](CC3CC3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257260167 570771494 /nfs/dbraw/zinc/77/14/94/570771494.db2.gz LBPKZOKPJXOKEJ-GOSISDBHSA-N 1 1 396.510 4.003 40 0 GIABMO COc1ccccc1OCc1cc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000257267975 570773058 /nfs/dbraw/zinc/77/30/58/570773058.db2.gz MJTDCZIJGFFTPQ-KRWDZBQOSA-N 1 1 381.451 4.126 40 0 GIABMO COc1ccccc1OCc1cc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)[nH]n1 ZINC000257267975 570773063 /nfs/dbraw/zinc/77/30/63/570773063.db2.gz MJTDCZIJGFFTPQ-KRWDZBQOSA-N 1 1 381.451 4.126 40 0 GIABMO COc1ccccc1OCc1cc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)[nH]n1 ZINC000257267975 570773065 /nfs/dbraw/zinc/77/30/65/570773065.db2.gz MJTDCZIJGFFTPQ-KRWDZBQOSA-N 1 1 381.451 4.126 40 0 GIABMO COc1cccc(Cc2ccc([C@H]3CCCN(c4cc(C)[nH+]c(C)n4)C3)nc2)c1 ZINC000257281299 570775151 /nfs/dbraw/zinc/77/51/51/570775151.db2.gz OONFPZZHCBVOOK-NRFANRHFSA-N 1 1 388.515 4.472 40 0 GIABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257293874 570776880 /nfs/dbraw/zinc/77/68/80/570776880.db2.gz QROMNGFKCGWBMC-GOSISDBHSA-N 1 1 398.894 4.041 40 0 GIABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257293875 570776965 /nfs/dbraw/zinc/77/69/65/570776965.db2.gz QROMNGFKCGWBMC-SFHVURJKSA-N 1 1 398.894 4.041 40 0 GIABMO Cc1nc(Cc2ccccc2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2C ZINC000257296007 570777405 /nfs/dbraw/zinc/77/74/05/570777405.db2.gz RAUUXGZCDOLNMC-XWQURZDVSA-N 1 1 395.572 4.130 40 0 GIABMO CCn1cc(C[NH+]2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)c(C)n1 ZINC000257309506 570779340 /nfs/dbraw/zinc/77/93/40/570779340.db2.gz UBFFBBXYAYRFGK-UHFFFAOYSA-N 1 1 390.535 4.433 40 0 GIABMO Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100351 570924582 /nfs/dbraw/zinc/92/45/82/570924582.db2.gz FGCVKIGSLZGKOR-QFIPXVFZSA-N 1 1 385.483 4.091 40 0 GIABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)c2ccc4ccccc4c2)C3)s1 ZINC000585101895 570927439 /nfs/dbraw/zinc/92/74/39/570927439.db2.gz KPBPEMOMPGBDHE-HSZRJFAPSA-N 1 1 391.540 4.485 40 0 GIABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)c2ccc4ccccc4c2)C3)s1 ZINC000585101895 570927440 /nfs/dbraw/zinc/92/74/40/570927440.db2.gz KPBPEMOMPGBDHE-HSZRJFAPSA-N 1 1 391.540 4.485 40 0 GIABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)C2(c4ccc(C)cc4)CC2)C3)s1 ZINC000585102060 570928081 /nfs/dbraw/zinc/92/80/81/570928081.db2.gz OZWSRGWKJGTAFO-QFIPXVFZSA-N 1 1 395.572 4.059 40 0 GIABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)C2(c4ccc(C)cc4)CC2)C3)s1 ZINC000585102060 570928083 /nfs/dbraw/zinc/92/80/83/570928083.db2.gz OZWSRGWKJGTAFO-QFIPXVFZSA-N 1 1 395.572 4.059 40 0 GIABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2N1Cc1cccs1 ZINC000306133849 570940867 /nfs/dbraw/zinc/94/08/67/570940867.db2.gz MXUJVUKRPRTQBC-VQTJNVASSA-N 1 1 397.931 4.285 40 0 GIABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]2N1Cc1cccs1 ZINC000306133849 570940870 /nfs/dbraw/zinc/94/08/70/570940870.db2.gz MXUJVUKRPRTQBC-VQTJNVASSA-N 1 1 397.931 4.285 40 0 GIABMO c1ccc(CNc2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccccn5)C4)nn3c2)cc1 ZINC000306135365 570942004 /nfs/dbraw/zinc/94/20/04/570942004.db2.gz OORKYKDYVIYWOY-HXUWFJFHSA-N 1 1 398.514 4.116 40 0 GIABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135818 570942068 /nfs/dbraw/zinc/94/20/68/570942068.db2.gz PBWYXVGEWYJISM-QFIPXVFZSA-N 1 1 383.499 4.479 40 0 GIABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccc(F)cc4)C[C@H]2C3)cc1 ZINC000306136528 570942903 /nfs/dbraw/zinc/94/29/03/570942903.db2.gz PVZCCAZHIHVDPR-RTBURBONSA-N 1 1 377.463 4.002 40 0 GIABMO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccccc4F)C2)OC3)cc1 ZINC000306139217 570944411 /nfs/dbraw/zinc/94/44/11/570944411.db2.gz SSICULXSHNCWRX-QFIPXVFZSA-N 1 1 381.426 4.003 40 0 GIABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)cc1 ZINC000306144156 570946512 /nfs/dbraw/zinc/94/65/12/570946512.db2.gz YXWUIISTLWHBKK-XMMPIXPASA-N 1 1 389.499 4.042 40 0 GIABMO Cc1c(C[N@@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c2cc(C)ccc2n1C ZINC000019220354 570962679 /nfs/dbraw/zinc/96/26/79/570962679.db2.gz NTWIQRAHOAGHNT-RZTXVSJASA-N 1 1 389.543 4.228 40 0 GIABMO NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000019371925 570980977 /nfs/dbraw/zinc/98/09/77/570980977.db2.gz XTRMLNVUZKHIMN-VWLOTQADSA-N 1 1 385.511 4.059 40 0 GIABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](C3CCCCC3)CC[C@@H]21 ZINC000019405000 570983260 /nfs/dbraw/zinc/98/32/60/570983260.db2.gz NUAVZRRGZHPGER-FKBYEOEOSA-N 1 1 395.572 4.406 40 0 GIABMO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](CC[C@H](C)c1ccccc1)C2 ZINC000019455716 570987123 /nfs/dbraw/zinc/98/71/23/570987123.db2.gz HFGXBFDUGQTWPA-MBSDFSHPSA-N 1 1 392.547 4.102 40 0 GIABMO CC[N@H+]1CCC[C@H]1CN(Cc1cnn(C2CCCCC2)c1)Cc1cccnc1 ZINC000019527196 570997641 /nfs/dbraw/zinc/99/76/41/570997641.db2.gz NMRCFIOMKNYVKO-QHCPKHFHSA-N 1 1 381.568 4.270 40 0 GIABMO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)c1C ZINC000019558572 571004408 /nfs/dbraw/zinc/00/44/08/571004408.db2.gz QOWTWJKHAXISOU-IBGZPJMESA-N 1 1 395.482 4.291 40 0 GIABMO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2cccc(F)c2)c1C ZINC000019558572 571004409 /nfs/dbraw/zinc/00/44/09/571004409.db2.gz QOWTWJKHAXISOU-IBGZPJMESA-N 1 1 395.482 4.291 40 0 GIABMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CCC[C@@H](Cn2ccnc2C)C1 ZINC000019659063 571025020 /nfs/dbraw/zinc/02/50/20/571025020.db2.gz QNGWKNYKJHDECJ-OAQYLSRUSA-N 1 1 377.536 4.215 40 0 GIABMO CNc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019691322 571029644 /nfs/dbraw/zinc/02/96/44/571029644.db2.gz GPXWGDHISWUXEI-UHFFFAOYSA-N 1 1 385.511 4.276 40 0 GIABMO CC(C)Oc1ccc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)cc1 ZINC000019702567 818600721 /nfs/dbraw/zinc/60/07/21/818600721.db2.gz BJZHYLHWVKQVBK-INIZCTEOSA-N 1 1 395.528 4.172 40 0 GIABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704375 818601507 /nfs/dbraw/zinc/60/15/07/818601507.db2.gz ONJMTGZHJOOONH-LJQANCHMSA-N 1 1 393.535 4.372 40 0 GIABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2cc(COc3ccccc3)n[nH]2)C1 ZINC000019704375 818601510 /nfs/dbraw/zinc/60/15/10/818601510.db2.gz ONJMTGZHJOOONH-LJQANCHMSA-N 1 1 393.535 4.372 40 0 GIABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](c2cc(COc3ccccc3)n[nH]2)C1 ZINC000019704375 818601517 /nfs/dbraw/zinc/60/15/17/818601517.db2.gz ONJMTGZHJOOONH-LJQANCHMSA-N 1 1 393.535 4.372 40 0 GIABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704376 818601790 /nfs/dbraw/zinc/60/17/90/818601790.db2.gz ONJMTGZHJOOONH-IBGZPJMESA-N 1 1 393.535 4.372 40 0 GIABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2cc(COc3ccccc3)n[nH]2)C1 ZINC000019704376 818601797 /nfs/dbraw/zinc/60/17/97/818601797.db2.gz ONJMTGZHJOOONH-IBGZPJMESA-N 1 1 393.535 4.372 40 0 GIABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](c2cc(COc3ccccc3)n[nH]2)C1 ZINC000019704376 818601801 /nfs/dbraw/zinc/60/18/01/818601801.db2.gz ONJMTGZHJOOONH-IBGZPJMESA-N 1 1 393.535 4.372 40 0 GIABMO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@H+]2Cc1ccc(F)c(F)c1 ZINC000019712328 818602427 /nfs/dbraw/zinc/60/24/27/818602427.db2.gz KSZBKNQOXRKWIN-WEYGHZABSA-N 1 1 388.433 4.131 40 0 GIABMO COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1 ZINC000019712522 818602460 /nfs/dbraw/zinc/60/24/60/818602460.db2.gz VNZDMCNUDQBWJC-DHIUTWEWSA-N 1 1 378.516 4.338 40 0 GIABMO Cc1nc(C)c(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@@H+]3C)s1 ZINC000019712918 818603258 /nfs/dbraw/zinc/60/32/58/818603258.db2.gz BRBTWJFUJVMYEW-NJYVYQBISA-N 1 1 397.588 4.460 40 0 GIABMO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000224546283 222656983 /nfs/dbraw/zinc/65/69/83/222656983.db2.gz SRDPVPLHXKBQAS-UHFFFAOYSA-N 1 1 391.353 4.278 40 0 GIABMO c1csc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306134000 222798953 /nfs/dbraw/zinc/79/89/53/222798953.db2.gz NBKZYTRYLIXLLK-SFHVURJKSA-N 1 1 375.501 4.232 40 0 GIABMO Brc1ccc2c(c1)CCN(c1cc[nH+]c(NCc3ccccc3)n1)C2 ZINC000329046075 212094803 /nfs/dbraw/zinc/09/48/03/212094803.db2.gz TZUQULFQNBOVNM-UHFFFAOYSA-N 1 1 395.304 4.414 40 0 GIABMO CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328978778 212090858 /nfs/dbraw/zinc/09/08/58/212090858.db2.gz GAZCENNCOUOVTM-IBGZPJMESA-N 1 1 388.943 4.245 40 0 GIABMO CC(C)n1c(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087608 221149303 /nfs/dbraw/zinc/14/93/03/221149303.db2.gz WFHRYROGZPZSAM-KRWDZBQOSA-N 1 1 390.487 4.362 40 0 GIABMO CC(C)n1c(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)nc2ccccc21 ZINC000012087608 221149308 /nfs/dbraw/zinc/14/93/08/221149308.db2.gz WFHRYROGZPZSAM-KRWDZBQOSA-N 1 1 390.487 4.362 40 0 GIABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccc(OC(C)C)c2)cc1 ZINC000012293181 221175617 /nfs/dbraw/zinc/17/56/17/221175617.db2.gz KCTBQQXIRGFLJW-SVGJNIJCSA-N 1 1 381.516 4.497 40 0 GIABMO COc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC ZINC000012345416 221183463 /nfs/dbraw/zinc/18/34/63/221183463.db2.gz SCPIFXXNLRNOGF-NHJWOMDBSA-N 1 1 385.479 4.166 40 0 GIABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc(OC)c(OC)cc2C)cc1 ZINC000012345408 221183504 /nfs/dbraw/zinc/18/35/04/221183504.db2.gz NLTCMKPUGAGDDB-VXMMSVGHSA-N 1 1 397.515 4.035 40 0 GIABMO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000019020583 221395521 /nfs/dbraw/zinc/39/55/21/221395521.db2.gz QREANQFYNSXUFT-FQEVSTJZSA-N 1 1 392.330 4.478 40 0 GIABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+](Cc4ccccc4F)C3)cc2n1 ZINC000019117142 221396163 /nfs/dbraw/zinc/39/61/63/221396163.db2.gz FBVVNIFPZQZTFR-CQSZACIVSA-N 1 1 378.373 4.185 40 0 GIABMO Cc1nc([C@H]2CCCC[N@@H+]2CC(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764911 221451769 /nfs/dbraw/zinc/45/17/69/221451769.db2.gz QNMGCMQJVITXDI-HXUWFJFHSA-N 1 1 384.499 4.037 40 0 GIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CSCc2ccccc2Cl)cc1 ZINC000044901882 221956678 /nfs/dbraw/zinc/95/66/78/221956678.db2.gz PJDIAXGXZBUVES-UHFFFAOYSA-N 1 1 385.920 4.384 40 0 GIABMO COc1ccccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330381 222228760 /nfs/dbraw/zinc/22/87/60/222228760.db2.gz OWBSAKCTQZGDKT-GBXCKJPGSA-N 1 1 395.547 4.206 40 0 GIABMO CCN(CC)c1nc(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(C)cc1)C2 ZINC000072337490 222230207 /nfs/dbraw/zinc/23/02/07/222230207.db2.gz BVQLOXPDJDMJLS-UHFFFAOYSA-N 1 1 387.531 4.252 40 0 GIABMO CCN(CC)c1nc(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC000072337490 222230210 /nfs/dbraw/zinc/23/02/10/222230210.db2.gz BVQLOXPDJDMJLS-UHFFFAOYSA-N 1 1 387.531 4.252 40 0 GIABMO CCn1ccnc1C[NH+]1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072350292 222236466 /nfs/dbraw/zinc/23/64/66/222236466.db2.gz LHZIYJIBZCECKQ-UHFFFAOYSA-N 1 1 378.495 4.408 40 0 GIABMO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cccc(Cc2cccc(OC)c2)n1 ZINC000072358225 222239956 /nfs/dbraw/zinc/23/99/56/222239956.db2.gz BGAWZMNNCKVFKY-QHCPKHFHSA-N 1 1 388.515 4.455 40 0 GIABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)c(C)n1 ZINC000072375411 222243496 /nfs/dbraw/zinc/24/34/96/222243496.db2.gz BTUMVXXSVRFGDH-HXUWFJFHSA-N 1 1 376.508 4.391 40 0 GIABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000072379223 222245296 /nfs/dbraw/zinc/24/52/96/222245296.db2.gz LAIIGWLQTUBAQA-FQEVSTJZSA-N 1 1 380.467 4.185 40 0 GIABMO Cc1ccccc1C[N@H+]1CCC[C@@]12CCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000096071060 222376033 /nfs/dbraw/zinc/37/60/33/222376033.db2.gz JQOUSPMWDPSMLC-QHCPKHFHSA-N 1 1 382.935 4.458 40 0 GIABMO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccccc2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111772 222382413 /nfs/dbraw/zinc/38/24/13/222382413.db2.gz PNKWSMJHKLVHKM-GMAHTHKFSA-N 1 1 384.479 4.255 40 0 biogenic,in-vitro GIABMO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccccc2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111772 222382415 /nfs/dbraw/zinc/38/24/15/222382415.db2.gz PNKWSMJHKLVHKM-GMAHTHKFSA-N 1 1 384.479 4.255 40 0 biogenic,in-vitro GIABMO O=C(c1ccccc1Br)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408605827 534748225 /nfs/dbraw/zinc/74/82/25/534748225.db2.gz GVSLXJQFBCTSEP-GOSISDBHSA-N 1 1 399.332 4.112 40 0 GIABMO Cc1cccc(C[N@H+]2CC[C@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)c1 ZINC000096244663 570224269 /nfs/dbraw/zinc/22/42/69/570224269.db2.gz HNYTZJGOPVRFFI-VWLOTQADSA-N 1 1 385.511 4.434 40 0 GIABMO C[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](N(Cc2ccccc2)CC(F)(F)F)[C@@H]1O ZINC000585261345 570228123 /nfs/dbraw/zinc/22/81/23/570228123.db2.gz XVVBPAKRDLVZCR-NJDAHSKKSA-N 1 1 392.465 4.075 40 0 GIABMO CCn1ncc(C[N@H+]2CCC[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)c1C ZINC000585262718 570230075 /nfs/dbraw/zinc/23/00/75/570230075.db2.gz XSFJNBQLONPBKG-KRWDZBQOSA-N 1 1 396.564 4.495 40 0 GIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)C1 ZINC000020104293 570239773 /nfs/dbraw/zinc/23/97/73/570239773.db2.gz MPLMSIYUUIHLQX-LJQANCHMSA-N 1 1 395.522 4.020 40 0 GIABMO Cc1cc(OC[C@]2(O)COCC[N@H+]([C@H]3CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287544 570258633 /nfs/dbraw/zinc/25/86/33/570258633.db2.gz OEPPLCYXPUVWAI-DNVFCKCGSA-N 1 1 393.543 4.181 40 0 GIABMO COc1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)c1 ZINC000072369900 570339767 /nfs/dbraw/zinc/33/97/67/570339767.db2.gz KWGDUAWYJQYBAH-IBGZPJMESA-N 1 1 386.455 4.283 40 0 GIABMO COc1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4ccnc5ccccc45)C3)n2)c1 ZINC000072369905 570340038 /nfs/dbraw/zinc/34/00/38/570340038.db2.gz MBCSQTJNLDYDEB-GOSISDBHSA-N 1 1 386.455 4.283 40 0 GIABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000072371191 570340064 /nfs/dbraw/zinc/34/00/64/570340064.db2.gz ORFSXAAJCIBGBU-LJQANCHMSA-N 1 1 377.488 4.029 40 0 GIABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000072371191 570340065 /nfs/dbraw/zinc/34/00/65/570340065.db2.gz ORFSXAAJCIBGBU-LJQANCHMSA-N 1 1 377.488 4.029 40 0 GIABMO COc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000072371191 570340067 /nfs/dbraw/zinc/34/00/67/570340067.db2.gz ORFSXAAJCIBGBU-LJQANCHMSA-N 1 1 377.488 4.029 40 0 GIABMO COC(=O)c1cn(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccc12 ZINC000222640147 570418271 /nfs/dbraw/zinc/41/82/71/570418271.db2.gz HMUFFRSKKRBFAY-KRWDZBQOSA-N 1 1 394.446 4.119 40 0 GIABMO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2OC)cc1 ZINC000035289814 570455465 /nfs/dbraw/zinc/45/54/65/570455465.db2.gz IXFVKFLUZIIHDJ-SEJPIABJSA-N 1 1 394.515 4.019 40 0 GIABMO COC(=O)[C@@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000028823099 570464775 /nfs/dbraw/zinc/46/47/75/570464775.db2.gz DXUZZMIANHJYIU-NRFANRHFSA-N 1 1 377.509 4.212 40 0 GIABMO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000224020669 570495050 /nfs/dbraw/zinc/49/50/50/570495050.db2.gz RBWSXUHTVOUVQZ-LJQANCHMSA-N 1 1 380.532 4.344 40 0 GIABMO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030866265 570499947 /nfs/dbraw/zinc/49/99/47/570499947.db2.gz UIQWFEHYMMBADH-SELNLUPBSA-N 1 1 382.548 4.481 40 0 GIABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000224316215 570508697 /nfs/dbraw/zinc/50/86/97/570508697.db2.gz LXQNYTFEHFMUMB-KRWDZBQOSA-N 1 1 389.499 4.143 40 0 GIABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1CSc1ccccc1 ZINC000224656588 570523088 /nfs/dbraw/zinc/52/30/88/570523088.db2.gz LVYGGKJMIFLJPC-UHFFFAOYSA-N 1 1 384.545 4.155 40 0 GIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1 ZINC000225299378 570562735 /nfs/dbraw/zinc/56/27/35/570562735.db2.gz RPDRZBIYPKMXGD-SFHVURJKSA-N 1 1 377.488 4.054 40 0 GIABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 ZINC000225480556 570578510 /nfs/dbraw/zinc/57/85/10/570578510.db2.gz FARDWQIWDTYSER-KRWDZBQOSA-N 1 1 389.499 4.143 40 0 GIABMO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038834761 570586362 /nfs/dbraw/zinc/58/63/62/570586362.db2.gz MJHNNPGKCBPEGG-MRXNPFEDSA-N 1 1 388.895 4.208 40 0 GIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1 ZINC000038837303 570587258 /nfs/dbraw/zinc/58/72/58/570587258.db2.gz JWHLDOKHBNWGPG-UHFFFAOYSA-N 1 1 379.529 4.211 40 0 GIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cccc(Br)c1 ZINC000225580684 570590820 /nfs/dbraw/zinc/59/08/20/570590820.db2.gz MAOODCIUJXMZBY-INIZCTEOSA-N 1 1 384.387 4.390 40 0 GIABMO CCOC(=O)c1ccc(NC(=S)NCCC[N@H+]2CCCC[C@@H]2CC)c(C)c1 ZINC000225582951 570590963 /nfs/dbraw/zinc/59/09/63/570590963.db2.gz NIFJEFNTIXAGHB-SFHVURJKSA-N 1 1 391.581 4.113 40 0 GIABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1 ZINC000225590075 570591769 /nfs/dbraw/zinc/59/17/69/570591769.db2.gz WFCQXAGVPCWBLJ-BETUJISGSA-N 1 1 393.742 4.352 40 0 GIABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225594528 570592355 /nfs/dbraw/zinc/59/23/55/570592355.db2.gz BXQRSWBPEKHTIH-CQSZACIVSA-N 1 1 383.330 4.052 40 0 GIABMO CCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225723614 570609292 /nfs/dbraw/zinc/60/92/92/570609292.db2.gz DQENGGJDUZDQRN-IEGUWTFLSA-N 1 1 388.552 4.187 40 0 GIABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000225726883 570609392 /nfs/dbraw/zinc/60/93/92/570609392.db2.gz BRVVBCNCPAKKHJ-OKILXGFUSA-N 1 1 384.387 4.104 40 0 GIABMO Fc1ccc(NC(=S)NCCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000225743110 570612145 /nfs/dbraw/zinc/61/21/45/570612145.db2.gz JMCOFBNPHQZZFI-UHFFFAOYSA-N 1 1 377.916 4.214 40 0 GIABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000043277770 570626727 /nfs/dbraw/zinc/62/67/27/570626727.db2.gz RFPVGZLEGGICHS-UHFFFAOYSA-N 1 1 393.466 4.202 40 0 GIABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000043277770 570626728 /nfs/dbraw/zinc/62/67/28/570626728.db2.gz RFPVGZLEGGICHS-UHFFFAOYSA-N 1 1 393.466 4.202 40 0 GIABMO COc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(F)cc2)c1 ZINC000004856805 570638276 /nfs/dbraw/zinc/63/82/76/570638276.db2.gz QVUPVVNKXXIZMP-IHWFROFDSA-N 1 1 399.535 4.316 40 0 GIABMO COc1ccccc1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000044906715 570641882 /nfs/dbraw/zinc/64/18/82/570641882.db2.gz KWRKHDHILSYTQH-IBGZPJMESA-N 1 1 380.532 4.290 40 0 GIABMO Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908819 570642129 /nfs/dbraw/zinc/64/21/29/570642129.db2.gz VNNYBRXSIKTEHM-LJQANCHMSA-N 1 1 386.923 4.056 40 0 GIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 ZINC000044916567 570642902 /nfs/dbraw/zinc/64/29/02/570642902.db2.gz KXIIHJPGJWRZAO-UHFFFAOYSA-N 1 1 391.515 4.390 40 0 GIABMO CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044932201 570643809 /nfs/dbraw/zinc/64/38/09/570643809.db2.gz MUZWYZKSDJSWSA-HXUWFJFHSA-N 1 1 384.495 4.141 40 0 GIABMO COC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260818238 570708577 /nfs/dbraw/zinc/70/85/77/570708577.db2.gz YUDKEWIIYPIIJZ-FVRICEFQSA-N 1 1 388.552 4.474 40 0 GIABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 ZINC000260930910 570715140 /nfs/dbraw/zinc/71/51/40/570715140.db2.gz LBFDOQJIMSJJSD-VGSWGCGISA-N 1 1 380.507 4.404 40 0 GIABMO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@H+]3C3CCCCC3)ccc2c1N ZINC000257203075 570759980 /nfs/dbraw/zinc/75/99/80/570759980.db2.gz AOOVYXDLTFPWCY-KRWDZBQOSA-N 1 1 386.565 4.440 40 0 GIABMO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000166024359 570760966 /nfs/dbraw/zinc/76/09/66/570760966.db2.gz BSVAZRSCDNGMCN-HSZRJFAPSA-N 1 1 394.559 4.486 40 0 GIABMO COc1ccc2nc(C[N@H+]3CC[C@H](c4nc(-c5ccccc5)no4)C3)ccc2c1 ZINC000257217256 570762179 /nfs/dbraw/zinc/76/21/79/570762179.db2.gz CYFKEIMREGELDZ-SFHVURJKSA-N 1 1 386.455 4.283 40 0 GIABMO Cc1c(C[NH+]2CCC(c3cc(Nc4ccc(F)cn4)cc(C)n3)CC2)cnn1C ZINC000257240038 570767752 /nfs/dbraw/zinc/76/77/52/570767752.db2.gz HRTRWBQHVKRTDI-UHFFFAOYSA-N 1 1 394.498 4.089 40 0 GIABMO Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)C3CCCCC3)CCO2)[nH+]1 ZINC000257265112 570772376 /nfs/dbraw/zinc/77/23/76/570772376.db2.gz LXJLSOLCIJAZHT-OAQYLSRUSA-N 1 1 394.519 4.317 40 0 GIABMO O=C(c1ccccc1Cl)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CCOCC1 ZINC000257302692 570778537 /nfs/dbraw/zinc/77/85/37/570778537.db2.gz SDWVYEFJUBDUHH-NHCUHLMSSA-N 1 1 390.955 4.226 40 0 GIABMO C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4ccccn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257332321 570783023 /nfs/dbraw/zinc/78/30/23/570783023.db2.gz XWTAXHOCANOKAZ-LYVDORBWSA-N 1 1 389.543 4.170 40 0 GIABMO COc1ccc(-c2cnc3n2C[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306125557 570936944 /nfs/dbraw/zinc/93/69/44/570936944.db2.gz CTTOWBRNCXUOFD-RTBURBONSA-N 1 1 377.463 4.002 40 0 GIABMO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](CC4CC(F)(F)C4)C[C@@H]32)o1 ZINC000585109780 570938594 /nfs/dbraw/zinc/93/85/94/570938594.db2.gz TXMPRPRSPYBAID-CMKODMSKSA-N 1 1 386.442 4.133 40 0 GIABMO Clc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 ZINC000019292581 570972570 /nfs/dbraw/zinc/97/25/70/570972570.db2.gz AWKXQEQPJKWXTH-GFCCVEGCSA-N 1 1 390.274 4.213 40 0 GIABMO Clc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 ZINC000019292581 570972575 /nfs/dbraw/zinc/97/25/75/570972575.db2.gz AWKXQEQPJKWXTH-GFCCVEGCSA-N 1 1 390.274 4.213 40 0 GIABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000019334029 570975548 /nfs/dbraw/zinc/97/55/48/570975548.db2.gz KSLAQNICOORWBZ-QGZVFWFLSA-N 1 1 385.483 4.256 40 0 GIABMO O=C(c1ccc(Cl)cc1Cl)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238892023 570981333 /nfs/dbraw/zinc/98/13/33/570981333.db2.gz QRTSJJFFMXTVQL-KRWDZBQOSA-N 1 1 375.299 4.266 40 0 GIABMO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]21 ZINC000019405279 570983359 /nfs/dbraw/zinc/98/33/59/570983359.db2.gz SZXGJIWYRCMDPZ-FKBYEOEOSA-N 1 1 395.572 4.150 40 0 GIABMO CC(C)c1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@H+]3C)[nH]n1 ZINC000019451851 570985466 /nfs/dbraw/zinc/98/54/66/570985466.db2.gz UTNYBZZSXBZARF-BWAGFHJFSA-N 1 1 398.526 4.155 40 0 GIABMO CC(C)c1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@@H+]3C)n[nH]1 ZINC000019451851 570985467 /nfs/dbraw/zinc/98/54/67/570985467.db2.gz UTNYBZZSXBZARF-BWAGFHJFSA-N 1 1 398.526 4.155 40 0 GIABMO CC(C)c1cc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@H+]3C)n[nH]1 ZINC000019451851 570985470 /nfs/dbraw/zinc/98/54/70/570985470.db2.gz UTNYBZZSXBZARF-BWAGFHJFSA-N 1 1 398.526 4.155 40 0 GIABMO COc1cc(C)c(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C ZINC000019566944 571008294 /nfs/dbraw/zinc/00/82/94/571008294.db2.gz OCPJBNNQDBDBKP-QFIPXVFZSA-N 1 1 394.563 4.126 40 0 GIABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019568932 571009269 /nfs/dbraw/zinc/00/92/69/571009269.db2.gz SVNKSIKXPCARBP-CQSZACIVSA-N 1 1 376.382 4.325 40 0 GIABMO Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C ZINC000019580714 571013110 /nfs/dbraw/zinc/01/31/10/571013110.db2.gz KWFQCOFYTWRTPL-CQOQZXRMSA-N 1 1 395.547 4.093 40 0 GIABMO CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019584441 571015265 /nfs/dbraw/zinc/01/52/65/571015265.db2.gz DCWJISNMXNKVGS-LJQANCHMSA-N 1 1 391.494 4.123 40 0 GIABMO C[N@H+]1CCc2nc(C3CCN(Cc4cccc(Cl)c4Cl)CC3)ncc2C1 ZINC000019590719 571018745 /nfs/dbraw/zinc/01/87/45/571018745.db2.gz ODSPOJSZPXADPW-UHFFFAOYSA-N 1 1 391.346 4.151 40 0 GIABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2cc(-c3cncnc3)cc(C)n2)cc1 ZINC000019691049 571029095 /nfs/dbraw/zinc/02/90/95/571029095.db2.gz DGLGMSYSCOBRRX-HSZRJFAPSA-N 1 1 387.487 4.143 40 0 GIABMO Cn1nccc1C[N@H+]1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000019690292 571029165 /nfs/dbraw/zinc/02/91/65/571029165.db2.gz XZHRHEVBPUKEEM-QGZVFWFLSA-N 1 1 382.458 4.064 40 0 GIABMO