smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C[N@@H+](Cc2ccccn2)CC(C)C)c(=O)n(-c2ccccc2)n1C ZINC000055107602 205206003 /nfs/dbraw/zinc/20/60/03/205206003.db2.gz DJNBCAUWIRBSLK-UHFFFAOYSA-N 1 1 364.493 3.538 10 0 FHAEMO Cn1c(C(=O)NCc2ccccc2)cc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000065210825 205324352 /nfs/dbraw/zinc/32/43/52/205324352.db2.gz JWLZBAVZUMGKEO-UHFFFAOYSA-N 1 1 359.473 3.513 10 0 FHAEMO Cn1c(C(=O)NCc2ccccc2)cc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000065210825 205324356 /nfs/dbraw/zinc/32/43/56/205324356.db2.gz JWLZBAVZUMGKEO-UHFFFAOYSA-N 1 1 359.473 3.513 10 0 FHAEMO CC[N@H+](Cc1nc(-c2ccc(N3CCCC3)nc2)no1)Cc1ccccc1 ZINC000065215822 205325393 /nfs/dbraw/zinc/32/53/93/205325393.db2.gz MXQMJOFNOFQYNZ-UHFFFAOYSA-N 1 1 363.465 3.754 10 0 FHAEMO CC[N@@H+](Cc1nc(-c2ccc(N3CCCC3)nc2)no1)Cc1ccccc1 ZINC000065215822 205325397 /nfs/dbraw/zinc/32/53/97/205325397.db2.gz MXQMJOFNOFQYNZ-UHFFFAOYSA-N 1 1 363.465 3.754 10 0 FHAEMO Cc1cc(NC(=O)c2cccc(C[N@@H+](C)[C@@H](C)c3ccco3)c2)n(C)n1 ZINC000067458187 205373173 /nfs/dbraw/zinc/37/31/73/205373173.db2.gz PJYPYCQKSGWBGB-HNNXBMFYSA-N 1 1 352.438 3.767 10 0 FHAEMO Cc1cc(NC(=O)c2cccc(C[N@H+](C)[C@@H](C)c3ccco3)c2)n(C)n1 ZINC000067458187 205373174 /nfs/dbraw/zinc/37/31/74/205373174.db2.gz PJYPYCQKSGWBGB-HNNXBMFYSA-N 1 1 352.438 3.767 10 0 FHAEMO COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000108930926 206040984 /nfs/dbraw/zinc/04/09/84/206040984.db2.gz JNFCBXNJPIKFOZ-PXNSSMCTSA-N 1 1 352.478 3.845 10 0 FHAEMO O=c1[nH]c(-c2ccc(C[N@H+]3CCC[C@H]3c3ccccn3)cc2)nc2c1CCC2 ZINC000019841579 206334204 /nfs/dbraw/zinc/33/42/04/206334204.db2.gz QKDCMUXGMNYRIG-NRFANRHFSA-N 1 1 372.472 3.658 10 0 FHAEMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000020878007 527389280 /nfs/dbraw/zinc/38/92/80/527389280.db2.gz NYWSLJXQUAVWMT-MRXNPFEDSA-N 1 1 373.884 3.665 10 0 FHAEMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000015069949 571129997 /nfs/dbraw/zinc/12/99/97/571129997.db2.gz UPVNJBMJOJVTJB-NSHDSACASA-N 1 1 361.852 3.866 10 0 FHAEMO CCCn1cnnc1[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000075552493 571199970 /nfs/dbraw/zinc/19/99/70/571199970.db2.gz YREMPRUOVLOMPT-AWEZNQCLSA-N 1 1 356.499 3.519 10 0 FHAEMO CC(C)c1noc([C@H]([NH2+]Cc2cccc3cccnc32)C2CCOCC2)n1 ZINC000328633939 571325368 /nfs/dbraw/zinc/32/53/68/571325368.db2.gz SXBZBFHJHRWNEK-LJQANCHMSA-N 1 1 366.465 3.999 10 0 FHAEMO Fc1cccc(-c2noc3c2C[N@H+](Cc2ccc4nonc4c2)CC3)c1 ZINC000020537265 571330937 /nfs/dbraw/zinc/33/09/37/571330937.db2.gz YFLCDXNWMVIQDU-UHFFFAOYSA-N 1 1 350.353 3.575 10 0 FHAEMO Fc1cccc(-c2noc3c2C[N@@H+](Cc2ccc4nonc4c2)CC3)c1 ZINC000020537265 571330938 /nfs/dbraw/zinc/33/09/38/571330938.db2.gz YFLCDXNWMVIQDU-UHFFFAOYSA-N 1 1 350.353 3.575 10 0 FHAEMO COc1cccc(C[N@@H+](CCC(C)C)C[C@@H](O)COCC(C)C)c1OC ZINC000036097296 205003675 /nfs/dbraw/zinc/00/36/75/205003675.db2.gz KQCSGAGDTPGJSH-LJQANCHMSA-N 1 1 367.530 3.585 10 0 FHAEMO CC(=O)OCc1c(C)cc(C)c(C[N@@H+](C)Cc2[nH]nc3c2CCC3)c1C ZINC000055327867 205215441 /nfs/dbraw/zinc/21/54/41/205215441.db2.gz FRTSPYKIPRJAFU-UHFFFAOYSA-N 1 1 355.482 3.519 10 0 FHAEMO CC[N@H+]1CCC[C@](C(=O)NCc2ccccc2OC)(c2ccccc2)CC1 ZINC000065226033 205325149 /nfs/dbraw/zinc/32/51/49/205325149.db2.gz CNXQXJHLNBKGAD-HSZRJFAPSA-N 1 1 366.505 3.755 10 0 FHAEMO COc1ccc(CN2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)c(OC)c1 ZINC000022851978 206335211 /nfs/dbraw/zinc/33/52/11/206335211.db2.gz GPIOCKIRXCCWRF-OAQYLSRUSA-N 1 1 366.505 3.727 10 0 FHAEMO Clc1ccc(-n2cc(C[NH+]3CCN(c4ccccc4)CC3)cn2)cc1 ZINC000053184753 132206440 /nfs/dbraw/zinc/20/64/40/132206440.db2.gz MHJWMIITIMUUKU-UHFFFAOYSA-N 1 1 352.869 3.848 10 0 in-vitro FHAEMO C[N@H+](Cc1ccccc1)C1(CNCc2ccncc2)Cc2ccccc2C1 ZINC000023361250 570538672 /nfs/dbraw/zinc/53/86/72/570538672.db2.gz LBVYFGQSLCZERR-UHFFFAOYSA-N 1 1 357.501 3.841 10 0 FHAEMO C[N@@H+](Cc1ccccc1)C1(CNCc2ccncc2)Cc2ccccc2C1 ZINC000023361250 570538674 /nfs/dbraw/zinc/53/86/74/570538674.db2.gz LBVYFGQSLCZERR-UHFFFAOYSA-N 1 1 357.501 3.841 10 0 FHAEMO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000583618782 570808373 /nfs/dbraw/zinc/80/83/73/570808373.db2.gz ITURVJFKKLWDJG-VWPQPMDRSA-N 1 1 359.510 3.760 10 0 FHAEMO CCOc1cccc(C[N@H+]2CC[C@H](c3nc4cccnc4n3CC)C2)c1 ZINC000065285348 570872745 /nfs/dbraw/zinc/87/27/45/570872745.db2.gz IASXNBQFLUZTHU-KRWDZBQOSA-N 1 1 350.466 3.839 10 0 FHAEMO C[N@H+](Cc1cc(C(N)=O)cs1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328624799 571324753 /nfs/dbraw/zinc/32/47/53/571324753.db2.gz COYBYJZQLJEQJX-SNVBAGLBSA-N 1 1 372.416 3.541 10 0 FHAEMO C[N@H+](Cc1nc2ccccc2o1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328646570 571325946 /nfs/dbraw/zinc/32/59/46/571325946.db2.gz SSBROZYPWCEPAV-LBPRGKRZSA-N 1 1 364.371 3.738 10 0 FHAEMO COc1cccc2ccc(C[NH+]3CCN(c4nc5ccccc5o4)CC3)nc21 ZINC000020540948 571331024 /nfs/dbraw/zinc/33/10/24/571331024.db2.gz FGOZTBLSDAJHLH-UHFFFAOYSA-N 1 1 374.444 3.707 10 0 FHAEMO CN1CCC[C@@]2(CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1=O ZINC000012570400 204476263 /nfs/dbraw/zinc/47/62/63/204476263.db2.gz UJAYJSMDTLQAOZ-QHCPKHFHSA-N 1 1 364.489 3.710 10 0 FHAEMO C[N@H+](Cc1csc(Br)c1)Cc1ccccc1C(N)=S ZINC000042362333 205095758 /nfs/dbraw/zinc/09/57/58/205095758.db2.gz PVFZUDUICVNVIZ-UHFFFAOYSA-N 1 1 355.326 3.777 10 0 FHAEMO C[N@@H+](Cc1csc(Br)c1)Cc1ccccc1C(N)=S ZINC000042362333 205095761 /nfs/dbraw/zinc/09/57/61/205095761.db2.gz PVFZUDUICVNVIZ-UHFFFAOYSA-N 1 1 355.326 3.777 10 0 FHAEMO CC[C@H](C)[N@H+](CC)[C@@H](CN)c1cc(Br)c(Br)o1 ZINC000050361790 205177697 /nfs/dbraw/zinc/17/76/97/205177697.db2.gz IMETUWYRWGEUFB-WPRPVWTQSA-N 1 1 368.113 3.925 10 0 FHAEMO CC[C@H](C)[N@@H+](CC)[C@@H](CN)c1cc(Br)c(Br)o1 ZINC000050361790 205177701 /nfs/dbraw/zinc/17/77/01/205177701.db2.gz IMETUWYRWGEUFB-WPRPVWTQSA-N 1 1 368.113 3.925 10 0 FHAEMO CC(C)(C)c1csc(C[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)n1 ZINC000055369237 205216715 /nfs/dbraw/zinc/21/67/15/205216715.db2.gz UEMZTYIVGTZVGI-UHFFFAOYSA-N 1 1 370.522 3.561 10 0 FHAEMO CCC[N@@H+](C[C@@](C)(O)CNc1cc(OC)cc2cccnc21)C(C)(C)C ZINC000215824605 206352440 /nfs/dbraw/zinc/35/24/40/206352440.db2.gz OCQUSYITTLMUHF-NRFANRHFSA-N 1 1 359.514 3.917 10 0 FHAEMO C[C@@H]1C[N@H+](C(C)(C)C)C[C@@H]1c1ccc2c(n1)OCCN2C(=O)C(C)(C)C ZINC000098089603 132232023 /nfs/dbraw/zinc/23/20/23/132232023.db2.gz RYNGHBAZKJXXEG-CABCVRRESA-N 1 1 359.514 3.687 10 0 FHAEMO CC[C@@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1CCOC ZINC000106113417 568645115 /nfs/dbraw/zinc/64/51/15/568645115.db2.gz GDUODNHDMIZTKE-QGZVFWFLSA-N 1 1 374.447 3.517 10 0 FHAEMO CC[C@@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CCN1CCOC ZINC000106113417 568645117 /nfs/dbraw/zinc/64/51/17/568645117.db2.gz GDUODNHDMIZTKE-QGZVFWFLSA-N 1 1 374.447 3.517 10 0 FHAEMO CC[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CCN1CCOC ZINC000106113417 568645122 /nfs/dbraw/zinc/64/51/22/568645122.db2.gz GDUODNHDMIZTKE-QGZVFWFLSA-N 1 1 374.447 3.517 10 0 FHAEMO O=C(c1cscn1)N1CCC([C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000011998771 570603598 /nfs/dbraw/zinc/60/35/98/570603598.db2.gz MSWOEKKGZFRIGA-IBGZPJMESA-N 1 1 369.534 3.560 10 0 FHAEMO CC(C)[C@H]1CN(C(=O)c2ccc3cccc(F)c3n2)CCC[N@H+]1CC1CC1 ZINC000071613689 571162862 /nfs/dbraw/zinc/16/28/62/571162862.db2.gz CHIGEYBBJPLZGG-HXUWFJFHSA-N 1 1 369.484 3.956 10 0 FHAEMO CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3n2C)CCC[N@H+]1CC1CC1 ZINC000071749814 571164616 /nfs/dbraw/zinc/16/46/16/571164616.db2.gz ZCHUPJFMJJNRCA-NRFANRHFSA-N 1 1 353.510 3.761 10 0 FHAEMO C[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328631717 571325275 /nfs/dbraw/zinc/32/52/75/571325275.db2.gz KUDNNPKBUHZFMT-LBPRGKRZSA-N 1 1 369.435 3.617 10 0 FHAEMO CN(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3cc(C(N)=O)cs3)CC2)cn1 ZINC000328656295 571326281 /nfs/dbraw/zinc/32/62/81/571326281.db2.gz ZFWIHPMSHCBZDX-HNNXBMFYSA-N 1 1 373.526 3.559 10 0 FHAEMO CCC(=O)N(c1ccccc1)[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C[C@@H]1C ZINC000005458899 204209253 /nfs/dbraw/zinc/20/92/53/204209253.db2.gz FRPRNNRJTCONEC-NYVOZVTQSA-N 1 1 366.505 3.874 10 0 in-man FHAEMO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@H+](C1CCSCC1)C2 ZINC000014981682 204596106 /nfs/dbraw/zinc/59/61/06/204596106.db2.gz AWQONWCNFDTDER-HXUWFJFHSA-N 1 1 362.514 3.536 10 0 FHAEMO COCCC[N@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1 ZINC000036097379 205003341 /nfs/dbraw/zinc/00/33/41/205003341.db2.gz VCFQTQCSVGTPSW-NRFANRHFSA-N 1 1 357.494 3.582 10 0 FHAEMO CCC[N@@H+](C/C=C/I)[C@H]1CCc2cccc(O)c2C1 ZINC000053084594 205190877 /nfs/dbraw/zinc/19/08/77/205190877.db2.gz QBXHUZJZYDSLRH-MDDUGHTDSA-N 1 1 371.262 3.910 10 0 in-vitro FHAEMO CC[N@H+]1CCC[C@@](C(=O)NCc2ccccc2OC)(c2ccccc2)CC1 ZINC000065226035 205325202 /nfs/dbraw/zinc/32/52/02/205325202.db2.gz CNXQXJHLNBKGAD-QHCPKHFHSA-N 1 1 366.505 3.755 10 0 FHAEMO CC[N@H+]1CCC[C@@H](c2c(-c3ccccc3)ncn2Cc2csc(N)n2)C1 ZINC000065500140 205355522 /nfs/dbraw/zinc/35/55/22/205355522.db2.gz CSVZPXFRQSNGLH-MRXNPFEDSA-N 1 1 367.522 3.836 10 0 FHAEMO COc1ccc2[nH]c3c(c2c1)C[N@H+](CCC(=O)Nc1ccccc1C)CC3 ZINC000067771556 205390010 /nfs/dbraw/zinc/39/00/10/205390010.db2.gz RSFRQMNOJDMFPT-UHFFFAOYSA-N 1 1 363.461 3.872 10 0 FHAEMO COc1ccc2[nH]c3c(c2c1)C[N@@H+](CCC(=O)Nc1ccccc1C)CC3 ZINC000067771556 205390014 /nfs/dbraw/zinc/39/00/14/205390014.db2.gz RSFRQMNOJDMFPT-UHFFFAOYSA-N 1 1 363.461 3.872 10 0 FHAEMO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(c1nc3cc(F)ccc3o1)CC2 ZINC000275609640 523603812 /nfs/dbraw/zinc/60/38/12/523603812.db2.gz ITGUXQRVPJTQLT-INIZCTEOSA-N 1 1 372.469 3.914 10 0 FHAEMO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(c1nc3cc(F)ccc3o1)CC2 ZINC000275609640 523603824 /nfs/dbraw/zinc/60/38/24/523603824.db2.gz ITGUXQRVPJTQLT-INIZCTEOSA-N 1 1 372.469 3.914 10 0 FHAEMO O=C1N(CCC2CCCCC2)CCC[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000012437404 571104599 /nfs/dbraw/zinc/10/45/99/571104599.db2.gz SSSJRPKVDFJYTN-QFIPXVFZSA-N 1 1 355.526 3.867 10 0 FHAEMO COc1ccccc1[C@H](CC(=O)N1CCCC1)c1c[nH+]c2n1C[C@H](C)CC2 ZINC000034920034 571147847 /nfs/dbraw/zinc/14/78/47/571147847.db2.gz TZWBLVATLINNCN-AEFFLSMTSA-N 1 1 367.493 3.618 10 0 FHAEMO CC(C)c1noc([C@@H]([NH2+]Cc2cccc3cnccc32)C2CCOCC2)n1 ZINC000328618333 571324418 /nfs/dbraw/zinc/32/44/18/571324418.db2.gz DPYMXHNZLVDHNM-IBGZPJMESA-N 1 1 366.465 3.999 10 0 FHAEMO C[N@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328624798 571324691 /nfs/dbraw/zinc/32/46/91/571324691.db2.gz COYBYJZQLJEQJX-JTQLQIEISA-N 1 1 372.416 3.541 10 0 FHAEMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccn1C)Cc1ccccc1 ZINC000004760563 204161783 /nfs/dbraw/zinc/16/17/83/204161783.db2.gz ZANUMMTUIIFGSV-QFIPXVFZSA-N 1 1 364.489 3.776 10 0 FHAEMO CSc1ccc(C[N@@H+](CCO)Cc2cccn2-c2ccccn2)cc1 ZINC000055309802 205214233 /nfs/dbraw/zinc/21/42/33/205214233.db2.gz SMWVNTBLPNNBFL-UHFFFAOYSA-N 1 1 353.491 3.589 10 0 FHAEMO CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2[nH+]c(C)n3ccccc23)C1 ZINC000065508354 205357867 /nfs/dbraw/zinc/35/78/67/205357867.db2.gz TUYFAACQZHYDGK-DYXWJJEUSA-N 1 1 363.461 3.610 10 0 FHAEMO C[N@@H+](Cc1ccc(-c2nc(C(F)(F)F)cc(=O)[nH]2)cc1)Cc1cccnc1 ZINC000019885475 523197183 /nfs/dbraw/zinc/19/71/83/523197183.db2.gz OTZLWLVRAWFEET-UHFFFAOYSA-N 1 1 374.366 3.895 10 0 FHAEMO Cc1csc(C[N@H+](C)[C@@H]2CCC(=O)N(Cc3ccccc3C)CC2)n1 ZINC000020254562 526341457 /nfs/dbraw/zinc/34/14/57/526341457.db2.gz NUFRZVHOKGNWRF-GOSISDBHSA-N 1 1 357.523 3.773 10 0 FHAEMO CC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982811 570865720 /nfs/dbraw/zinc/86/57/20/570865720.db2.gz PUPIPBSVKMXEEU-WOJBJXKFSA-N 1 1 356.441 3.592 10 0 FHAEMO COCCC[N@H+](Cc1ccc(C)s1)C[C@@H](O)COc1ccccc1C ZINC000036101422 205005619 /nfs/dbraw/zinc/00/56/19/205005619.db2.gz UHJYJAVYGULDSU-GOSISDBHSA-N 1 1 363.523 3.643 10 0 FHAEMO Cc1[nH+]ccn1CCNc1ccc(Br)cc1Br ZINC000049330433 205172010 /nfs/dbraw/zinc/17/20/10/205172010.db2.gz YTIXUZALKFCUSM-UHFFFAOYSA-N 1 1 359.065 3.829 10 0 FHAEMO CCC[N@@H+](C/C=C/I)[C@@H]1CCc2cccc(O)c2C1 ZINC000053084593 205191038 /nfs/dbraw/zinc/19/10/38/205191038.db2.gz QBXHUZJZYDSLRH-CEOUIICOSA-N 1 1 371.262 3.910 10 0 in-vitro FHAEMO COc1cccc(CNC(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)c1 ZINC000065238976 205327407 /nfs/dbraw/zinc/32/74/07/205327407.db2.gz ICFPNLCFFGHNKK-UHFFFAOYSA-N 1 1 356.491 3.945 10 0 FHAEMO CC(C)C[N@H+]1CCCC[C@H]1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000065590767 205360455 /nfs/dbraw/zinc/36/04/55/205360455.db2.gz WPAHBXBBQYFHRO-FQEVSTJZSA-N 1 1 366.509 3.689 10 0 FHAEMO Cn1cc(CN2CCC([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cn1 ZINC000020905954 527197437 /nfs/dbraw/zinc/19/74/37/527197437.db2.gz DHAWIYNFQGKKQP-FQEVSTJZSA-N 1 1 372.944 3.808 10 0 FHAEMO Cn1cc(CN2CCC([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)cn1 ZINC000020905954 527197442 /nfs/dbraw/zinc/19/74/42/527197442.db2.gz DHAWIYNFQGKKQP-FQEVSTJZSA-N 1 1 372.944 3.808 10 0 FHAEMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000022664490 571145301 /nfs/dbraw/zinc/14/53/01/571145301.db2.gz PDQTXDSTFLLWLW-HXUWFJFHSA-N 1 1 374.488 3.958 10 0 FHAEMO Brc1ccc(N[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000036957094 205023737 /nfs/dbraw/zinc/02/37/37/205023737.db2.gz YYQIHBPLHBSUED-ZDUSSCGKSA-N 1 1 360.093 3.718 10 0 FHAEMO CC(C)C[C@H](C)[N@@H+](C)CC(=O)c1ccc(I)cc1 ZINC000042586790 205097236 /nfs/dbraw/zinc/09/72/36/205097236.db2.gz FTGPDYFZDJXMQJ-LBPRGKRZSA-N 1 1 359.251 3.840 10 0 FHAEMO CC[C@@H](C)[N@H+](CC)[C@@H](CN)c1cc(Br)c(Br)o1 ZINC000050361787 205177853 /nfs/dbraw/zinc/17/78/53/205177853.db2.gz IMETUWYRWGEUFB-SCZZXKLOSA-N 1 1 368.113 3.925 10 0 FHAEMO CC[C@@H](C)[N@@H+](CC)[C@@H](CN)c1cc(Br)c(Br)o1 ZINC000050361787 205177856 /nfs/dbraw/zinc/17/78/56/205177856.db2.gz IMETUWYRWGEUFB-SCZZXKLOSA-N 1 1 368.113 3.925 10 0 FHAEMO Cn1c(C(=O)NC2CCCCC2)cc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000065210828 205324211 /nfs/dbraw/zinc/32/42/11/205324211.db2.gz VKFVIKLLGQVZPW-UHFFFAOYSA-N 1 1 351.494 3.646 10 0 FHAEMO Cn1c(C(=O)NC2CCCCC2)cc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000065210828 205324215 /nfs/dbraw/zinc/32/42/15/205324215.db2.gz VKFVIKLLGQVZPW-UHFFFAOYSA-N 1 1 351.494 3.646 10 0 FHAEMO COc1ccc(CNC(=O)c2cc3c(s2)C[N@H+](C2CCCC2)C3)cc1 ZINC000065238977 205326567 /nfs/dbraw/zinc/32/65/67/205326567.db2.gz PVQAUQFKFXXGBH-UHFFFAOYSA-N 1 1 356.491 3.945 10 0 FHAEMO OCC1(CCCc2ccccc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000067771711 205391570 /nfs/dbraw/zinc/39/15/70/205391570.db2.gz FNIZGXIXCIXYES-UHFFFAOYSA-N 1 1 350.466 3.560 10 0 FHAEMO Nc1c(NC2CCCC2)[nH+]cnc1N1CCC(Cc2ccccc2)CC1 ZINC000040729540 136120304 /nfs/dbraw/zinc/12/03/04/136120304.db2.gz MHZOKNTUAXFHEW-UHFFFAOYSA-N 1 1 351.498 3.872 10 0 FHAEMO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000252475045 526096236 /nfs/dbraw/zinc/09/62/36/526096236.db2.gz RLPNAROFMSFAIH-SVMVAKDDSA-N 1 1 365.521 3.576 10 0 FHAEMO CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000000967925 560180110 /nfs/dbraw/zinc/18/01/10/560180110.db2.gz PWMDANRQWZFAPB-SFHVURJKSA-N 1 1 362.495 3.641 10 0 in-vitro FHAEMO CC[N@H+]1CCC[C@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000000967925 560180111 /nfs/dbraw/zinc/18/01/11/560180111.db2.gz PWMDANRQWZFAPB-SFHVURJKSA-N 1 1 362.495 3.641 10 0 in-vitro FHAEMO O=C(CCC(F)(F)F)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014995528 570828456 /nfs/dbraw/zinc/82/84/56/570828456.db2.gz CVHLNIIFPMNEES-MSOLQXFVSA-N 1 1 368.443 3.885 10 0 FHAEMO Cc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)oc1C ZINC000019789654 570902904 /nfs/dbraw/zinc/90/29/04/570902904.db2.gz MVYVXNKFPRKWSO-OAQYLSRUSA-N 1 1 353.510 3.683 10 0 FHAEMO Cc1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)oc1C ZINC000019789654 570902905 /nfs/dbraw/zinc/90/29/05/570902905.db2.gz MVYVXNKFPRKWSO-OAQYLSRUSA-N 1 1 353.510 3.683 10 0 FHAEMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000046032320 570920459 /nfs/dbraw/zinc/92/04/59/570920459.db2.gz ITPOXIJCMHIPSU-UHFFFAOYSA-N 1 1 370.522 3.995 10 0 FHAEMO CC[N@@H+](C)C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000675058460 571271700 /nfs/dbraw/zinc/27/17/00/571271700.db2.gz HLWANWVOWIBDJO-XMMPIXPASA-N 1 1 374.528 3.881 10 0 FHAEMO CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH+](C)C)c1ccccc1C=C2 ZINC000005717206 204222679 /nfs/dbraw/zinc/22/26/79/204222679.db2.gz BUSNZLZWMBZJQO-UHFFFAOYSA-N 1 1 365.433 3.965 10 0 FHAEMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(C)s1)Cc1ccccc1 ZINC000036031475 205001798 /nfs/dbraw/zinc/00/17/98/205001798.db2.gz OHOYHFJNUJVCEX-SFHVURJKSA-N 1 1 361.507 3.763 10 0 FHAEMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)C(C)C)cc1OC ZINC000036096000 205003368 /nfs/dbraw/zinc/00/33/68/205003368.db2.gz DNAVKZPFXBGEDE-LJQANCHMSA-N 1 1 361.457 3.862 10 0 FHAEMO FC(F)(F)c1cccc(C[N@@H+]2CCOC[C@H](Oc3ccccc3)C2)c1 ZINC000085435976 205170956 /nfs/dbraw/zinc/17/09/56/205170956.db2.gz BTNCJZBOSGBACO-GOSISDBHSA-N 1 1 351.368 3.985 10 0 FHAEMO FC(F)(F)c1cccc(C[N@H+]2CCOC[C@H](Oc3ccccc3)C2)c1 ZINC000085435976 205170960 /nfs/dbraw/zinc/17/09/60/205170960.db2.gz BTNCJZBOSGBACO-GOSISDBHSA-N 1 1 351.368 3.985 10 0 FHAEMO COc1c(C)cc([C@@H](C(=O)[O-])[N@@H+](C)Cc2ccccc2C[NH+](C)C)cc1C ZINC000055155105 205207775 /nfs/dbraw/zinc/20/77/75/205207775.db2.gz MTXVCQNATYJIDK-FQEVSTJZSA-N 1 1 370.493 3.631 10 0 FHAEMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](C4CCCCC4)C3)C2=O)c1 ZINC000015073663 220146445 /nfs/dbraw/zinc/14/64/45/220146445.db2.gz BSBKEJLKHBDAQT-QFIPXVFZSA-N 1 1 374.500 3.982 10 0 FHAEMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccc2)cc1 ZINC000106109633 206013330 /nfs/dbraw/zinc/01/33/30/206013330.db2.gz MSGZKSQKXZDRTD-OAQYLSRUSA-N 1 1 359.473 3.872 10 0 FHAEMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c(OC)c1 ZINC000019842364 523776151 /nfs/dbraw/zinc/77/61/51/523776151.db2.gz NGTQJDOIWNFPHG-MRXNPFEDSA-N 1 1 355.434 3.504 10 0 FHAEMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c(OC)c1 ZINC000019842364 523776158 /nfs/dbraw/zinc/77/61/58/523776158.db2.gz NGTQJDOIWNFPHG-MRXNPFEDSA-N 1 1 355.434 3.504 10 0 FHAEMO c1cc(CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n(-c2cccnc2)c1 ZINC000020914120 526429825 /nfs/dbraw/zinc/42/98/25/526429825.db2.gz YRFYAOSSUUNNJW-NRFANRHFSA-N 1 1 372.516 3.594 10 0 FHAEMO c1cc(CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)n(-c2cccnc2)c1 ZINC000020914120 526429828 /nfs/dbraw/zinc/42/98/28/526429828.db2.gz YRFYAOSSUUNNJW-NRFANRHFSA-N 1 1 372.516 3.594 10 0 FHAEMO O[C@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000063482394 567979749 /nfs/dbraw/zinc/97/97/49/567979749.db2.gz DOKZSBBVCDLJTP-STQMWFEESA-N 1 1 371.321 3.719 10 0 FHAEMO CC(C)c1noc([C@H]([NH2+]Cc2cccc3[nH]ccc32)C2CCOCC2)n1 ZINC000583622102 570811299 /nfs/dbraw/zinc/81/12/99/570811299.db2.gz NUZYAVPYMZLYAD-GOSISDBHSA-N 1 1 354.454 3.932 10 0 FHAEMO Cc1cnc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)o1 ZINC000328605282 571323857 /nfs/dbraw/zinc/32/38/57/571323857.db2.gz NCWFNBNDPCHYPQ-DYESRHJHSA-N 1 1 364.449 3.511 10 0 FHAEMO Cc1cnc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(Cc4ccccc4)no3)C2)o1 ZINC000328605282 571323858 /nfs/dbraw/zinc/32/38/58/571323858.db2.gz NCWFNBNDPCHYPQ-DYESRHJHSA-N 1 1 364.449 3.511 10 0 FHAEMO CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000328632953 571325445 /nfs/dbraw/zinc/32/54/45/571325445.db2.gz LPYOXDVNHYBMEE-AVRDEDQJSA-N 1 1 366.509 3.749 10 0 FHAEMO C[N@H+](Cc1nc2ccccc2o1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328646567 571326011 /nfs/dbraw/zinc/32/60/11/571326011.db2.gz SSBROZYPWCEPAV-GFCCVEGCSA-N 1 1 364.371 3.738 10 0 FHAEMO C[C@@H]1CCC[N@@H+](CC(=O)c2ccc(I)cc2)CC1 ZINC000104348913 209261734 /nfs/dbraw/zinc/26/17/34/209261734.db2.gz JKQKRCCGMGOAMB-GFCCVEGCSA-N 1 1 357.235 3.596 10 0 FHAEMO Fc1cccc(C[N@H+]2CCC[C@@]3(C[C@@H](CNc4ccccn4)CO3)C2)c1 ZINC000096228506 209140191 /nfs/dbraw/zinc/14/01/91/209140191.db2.gz IXXHVEIZXKUQTE-GHTZIAJQSA-N 1 1 355.457 3.704 10 0 FHAEMO c1ccc(C(c2n[nH]c3c2C[N@@H+](C[C@H]2CCOC2)CC3)c2ccccc2)cc1 ZINC000011754003 207320992 /nfs/dbraw/zinc/32/09/92/207320992.db2.gz HYXUUGGPTPQHJP-GOSISDBHSA-N 1 1 373.500 3.985 10 0 FHAEMO c1ccc(C(c2[nH]nc3c2C[N@H+](C[C@H]2CCOC2)CC3)c2ccccc2)cc1 ZINC000011754003 207320997 /nfs/dbraw/zinc/32/09/97/207320997.db2.gz HYXUUGGPTPQHJP-GOSISDBHSA-N 1 1 373.500 3.985 10 0 FHAEMO c1ccc(C(c2[nH]nc3c2C[N@@H+](C[C@H]2CCOC2)CC3)c2ccccc2)cc1 ZINC000011754003 207321002 /nfs/dbraw/zinc/32/10/02/207321002.db2.gz HYXUUGGPTPQHJP-GOSISDBHSA-N 1 1 373.500 3.985 10 0 FHAEMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cs1 ZINC000011822124 207323283 /nfs/dbraw/zinc/32/32/83/207323283.db2.gz ROHCQJCYXJHQHQ-MRXNPFEDSA-N 1 1 358.463 3.756 10 0 FHAEMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cs1 ZINC000011822124 207323288 /nfs/dbraw/zinc/32/32/88/207323288.db2.gz ROHCQJCYXJHQHQ-MRXNPFEDSA-N 1 1 358.463 3.756 10 0 FHAEMO CN(C(=O)CCc1ccsc1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012572070 207394956 /nfs/dbraw/zinc/39/49/56/207394956.db2.gz URUCRFJRODHXJB-GOSISDBHSA-N 1 1 360.498 3.943 10 0 FHAEMO CN(C(=O)CCc1ccsc1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012572070 207394963 /nfs/dbraw/zinc/39/49/63/207394963.db2.gz URUCRFJRODHXJB-GOSISDBHSA-N 1 1 360.498 3.943 10 0 FHAEMO COc1cc(C[N@@H+](CCC(C)C)C[C@@H](O)COCC(C)C)cc(OC)c1 ZINC000036095143 208144085 /nfs/dbraw/zinc/14/40/85/208144085.db2.gz ATJMNUNVHHSASX-LJQANCHMSA-N 1 1 367.530 3.585 10 0 FHAEMO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(c1nc3cc(F)ccc3o1)CC2 ZINC000275609646 523605574 /nfs/dbraw/zinc/60/55/74/523605574.db2.gz ITGUXQRVPJTQLT-MRXNPFEDSA-N 1 1 372.469 3.914 10 0 FHAEMO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(c1nc3cc(F)ccc3o1)CC2 ZINC000275609646 523605579 /nfs/dbraw/zinc/60/55/79/523605579.db2.gz ITGUXQRVPJTQLT-MRXNPFEDSA-N 1 1 372.469 3.914 10 0 FHAEMO O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccc2)C1 ZINC000005396234 560201609 /nfs/dbraw/zinc/20/16/09/560201609.db2.gz SFPHAIIYABUKIC-AZUAARDMSA-N 1 1 357.457 3.530 10 0 biogenic FHAEMO Cc1ccc(-c2nc(CNc3nc(N)c(C)c[nH+]3)[nH]c2-c2ccccn2)cc1 ZINC000067692557 571054868 /nfs/dbraw/zinc/05/48/68/571054868.db2.gz ZQZLUMHAWIPOLR-UHFFFAOYSA-N 1 1 371.448 3.740 10 0 FHAEMO CC(C)c1nsc(N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000328634736 571144561 /nfs/dbraw/zinc/14/45/61/571144561.db2.gz MYXCTDMCWRFOOX-CYBMUJFWSA-N 1 1 363.556 3.609 10 0 FHAEMO CC(C)c1nsc(N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000328634736 571144564 /nfs/dbraw/zinc/14/45/64/571144564.db2.gz MYXCTDMCWRFOOX-CYBMUJFWSA-N 1 1 363.556 3.609 10 0 FHAEMO CC[N@H+]1CCC[C@@](C(=O)NCc2ccc(OC)cc2)(c2ccccc2)CC1 ZINC000065226055 571257048 /nfs/dbraw/zinc/25/70/48/571257048.db2.gz QXXDKIGWQUMRPH-QHCPKHFHSA-N 1 1 366.505 3.755 10 0 FHAEMO CC(C)c1nccc(N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000328654223 571326065 /nfs/dbraw/zinc/32/60/65/571326065.db2.gz XIDLNZWGACZFSR-OAHLLOKOSA-N 1 1 357.527 3.547 10 0 FHAEMO CC(C)c1nccc(N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000328654223 571326066 /nfs/dbraw/zinc/32/60/66/571326066.db2.gz XIDLNZWGACZFSR-OAHLLOKOSA-N 1 1 357.527 3.547 10 0 FHAEMO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000012333128 207364195 /nfs/dbraw/zinc/36/41/95/207364195.db2.gz RSVXSQCTFTWIEH-NQIIRXRSSA-N 1 1 370.443 3.978 10 0 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CC(C)c1noc([C@@H]([NH2+]Cc2ccc3ncccc3c2)C2CCOCC2)n1 ZINC000328637570 571325570 /nfs/dbraw/zinc/32/55/70/571325570.db2.gz WAOMIQMPAMCJRO-IBGZPJMESA-N 1 1 366.465 3.999 10 0 FHAEMO C[N@H+](Cc1ccc(Cl)cn1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328643587 571325785 /nfs/dbraw/zinc/32/57/85/571325785.db2.gz RMBJMHIVBNTJDN-LLVKDONJSA-N 1 1 358.795 3.645 10 0 FHAEMO C[N@H+]1CCO[C@]2(CCCN(Cc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 ZINC000096268622 209147841 /nfs/dbraw/zinc/14/78/41/209147841.db2.gz BDSLFMBQUWOAPS-MRXNPFEDSA-N 1 1 362.823 3.655 10 0 FHAEMO CSCCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012001577 207332696 /nfs/dbraw/zinc/33/26/96/207332696.db2.gz VTMGVDGANWKULL-LJQANCHMSA-N 1 1 368.493 3.532 10 0 FHAEMO O=C1N(CCC2CCCCC2)CCC[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000012437405 207376857 /nfs/dbraw/zinc/37/68/57/207376857.db2.gz SSSJRPKVDFJYTN-JOCHJYFZSA-N 1 1 355.526 3.867 10 0 FHAEMO CSCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012594449 207399880 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CCC[C@H](O)C[N@@H+](CCc1nc(-c2ccc(C)cc2)no1)Cc1ccco1 ZINC000036147356 571243451 /nfs/dbraw/zinc/24/34/51/571243451.db2.gz BGQKPOUFTHKVTR-SFHVURJKSA-N 1 1 369.465 3.844 10 0 FHAEMO Cc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000055118854 571320097 /nfs/dbraw/zinc/32/00/97/571320097.db2.gz NFEJEWMYFOZVHU-OAQYLSRUSA-N 1 1 372.463 3.551 10 0 FHAEMO Cc1ncc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000055118854 571320098 /nfs/dbraw/zinc/32/00/98/571320098.db2.gz NFEJEWMYFOZVHU-OAQYLSRUSA-N 1 1 372.463 3.551 10 0 FHAEMO Cc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000055118854 571320099 /nfs/dbraw/zinc/32/00/99/571320099.db2.gz NFEJEWMYFOZVHU-OAQYLSRUSA-N 1 1 372.463 3.551 10 0 FHAEMO CN(C)c1ncc(C[NH2+]Cc2cccnc2N2CCCCCCC2)s1 ZINC000014980298 220139039 /nfs/dbraw/zinc/13/90/39/220139039.db2.gz UDKXXBRGYMLFRU-UHFFFAOYSA-N 1 1 359.543 3.664 10 0 FHAEMO CC(C)[C@H]([C@@H](c1ccccc1)[S@@](=O)c1ccccc1)[NH+]1CCOCC1 ZINC000015784246 220164837 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FHAEMO CCc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)o1 ZINC000023375155 136152760 /nfs/dbraw/zinc/15/27/60/136152760.db2.gz KNIQTHMELFIOET-HXUWFJFHSA-N 1 1 353.510 3.629 10 0 FHAEMO Cc1ncc(C[NH+]2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)[nH]1 ZINC000020452054 263380614 /nfs/dbraw/zinc/38/06/14/263380614.db2.gz YJLMCFUSJFAHTK-UHFFFAOYSA-N 1 1 367.415 3.554 10 0 FHAEMO COc1ccc(/C=C/C[N@@H+]2CCC(=O)N(CC3CCCCC3)CC2)cc1 ZINC000019837461 523404251 /nfs/dbraw/zinc/40/42/51/523404251.db2.gz CYVKVHZQPVFDDK-VMPITWQZSA-N 1 1 356.510 3.823 10 0 FHAEMO C[N@@H+](Cc1ccoc1)Cc1ccc(-c2nc3c(c(=O)[nH]2)CSC3)cc1 ZINC000020780750 523476403 /nfs/dbraw/zinc/47/64/03/523476403.db2.gz XWTTVHXYGPIOQE-UHFFFAOYSA-N 1 1 353.447 3.821 10 0 FHAEMO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCCCCc2ccccc2)c1 ZINC000017039550 534961619 /nfs/dbraw/zinc/96/16/19/534961619.db2.gz IRLXONLJLMXJCM-UHFFFAOYSA-N 1 1 363.509 3.828 10 0 FHAEMO COC[C@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1C ZINC000004588701 570855311 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Clc1cccc(-c2ccc(C[N@H+]3CCC[C@@H](N4CCOCC4)C3)o2)c1 ZINC000019743210 220291027 /nfs/dbraw/zinc/29/10/27/220291027.db2.gz NUMGVQONJSHELV-GOSISDBHSA-N 1 1 360.885 3.897 10 0 FHAEMO O=c1[nH]c(-c2ccc(C[N@H+]3CCC[C@@H]3c3ccccn3)cc2)nc2c1CCC2 ZINC000019841575 220300856 /nfs/dbraw/zinc/30/08/56/220300856.db2.gz QKDCMUXGMNYRIG-OAQYLSRUSA-N 1 1 372.472 3.658 10 0 FHAEMO O=c1c(CN2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)coc2ccccc21 ZINC000020600704 220334677 /nfs/dbraw/zinc/33/46/77/220334677.db2.gz WLSVAJYZUUNDCS-OAQYLSRUSA-N 1 1 374.484 3.816 10 0 FHAEMO CCCO[C@H]1CCC[N@@H+](Cc2ccccc2-c2nc(C(C)C)cc(=O)[nH]2)C1 ZINC000048159237 221000819 /nfs/dbraw/zinc/00/08/19/221000819.db2.gz CCSNGTUGGGADML-SFHVURJKSA-N 1 1 369.509 3.951 10 0 FHAEMO O=C(NCCC[NH+]1CCCCC1)c1cc2c(s1)CN(C1CCCC1)C2 ZINC000065239088 221184898 /nfs/dbraw/zinc/18/48/98/221184898.db2.gz OXHLXPNOSVVRDF-UHFFFAOYSA-N 1 1 361.555 3.612 10 0 FHAEMO Cc1cc(NC(=O)c2cccc(C[N@@H+](C)[C@H](C)c3ccco3)c2)n(C)n1 ZINC000067458190 221256111 /nfs/dbraw/zinc/25/61/11/221256111.db2.gz PJYPYCQKSGWBGB-OAHLLOKOSA-N 1 1 352.438 3.767 10 0 FHAEMO Cc1cc(NC(=O)c2cccc(C[N@H+](C)[C@H](C)c3ccco3)c2)n(C)n1 ZINC000067458190 221256114 /nfs/dbraw/zinc/25/61/14/221256114.db2.gz PJYPYCQKSGWBGB-OAHLLOKOSA-N 1 1 352.438 3.767 10 0 FHAEMO CC(=O)c1c(F)cccc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000042677789 136121310 /nfs/dbraw/zinc/12/13/10/136121310.db2.gz UAPPAEVAXVSIHJ-UHFFFAOYSA-N 1 1 363.436 3.899 10 0 FHAEMO [NH3+][C@H]1c2cc(Br)ccc2N(Cc2ccccc2Cl)C1=O ZINC000100236524 222239201 /nfs/dbraw/zinc/23/92/01/222239201.db2.gz PZWDICYIOMDKCL-AWEZNQCLSA-N 1 1 351.631 3.649 10 0 FHAEMO CN1CCC[C@H](C[N@@H+](CCc2ccccc2)Cc2cccc3nonc32)C1 ZINC000020454322 523840199 /nfs/dbraw/zinc/84/01/99/523840199.db2.gz MWXSZRRBMYWMLI-IBGZPJMESA-N 1 1 364.493 3.609 10 0 FHAEMO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000583615071 570807794 /nfs/dbraw/zinc/80/77/94/570807794.db2.gz WPSJJOYJDQVMOP-ZJOUEHCJSA-N 1 1 357.450 3.824 10 0 FHAEMO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccccc2)o1 ZINC000583615072 570807878 /nfs/dbraw/zinc/80/78/78/570807878.db2.gz WPSJJOYJDQVMOP-ZVDOUQERSA-N 1 1 357.450 3.824 10 0 FHAEMO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000583618780 570808519 /nfs/dbraw/zinc/80/85/19/570808519.db2.gz ITURVJFKKLWDJG-SJBKTWHCSA-N 1 1 359.510 3.760 10 0 FHAEMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245229044 571094895 /nfs/dbraw/zinc/09/48/95/571094895.db2.gz LRVBBFMBBYKQCE-LEWJYISDSA-N 1 1 373.468 3.555 10 0 FHAEMO CC(=O)N(Cc1cncnc1)[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC000328632957 571325376 /nfs/dbraw/zinc/32/53/76/571325376.db2.gz LPYOXDVNHYBMEE-XMSQKQJNSA-N 1 1 366.509 3.749 10 0 FHAEMO CC1CC[NH+](CN2C[C@H](COc3cccc4ccccc43)OC2=O)CC1 ZINC000004262938 571357307 /nfs/dbraw/zinc/35/73/07/571357307.db2.gz PCFMYCFECZWPGJ-GOSISDBHSA-N 1 1 354.450 3.729 10 0 FHAEMO Fc1cccc(CN2CCC[C@]3(CC[N@@H+](CCCn4cccn4)C3)C2)c1F ZINC000012707078 220020023 /nfs/dbraw/zinc/02/00/23/220020023.db2.gz OEXYHYZGQJBFSB-OAQYLSRUSA-N 1 1 374.479 3.540 10 0 FHAEMO c1cnn(-c2ccc(CN3CCC[C@H]([N@H+]4CCc5ccccc5C4)C3)cc2)c1 ZINC000020363053 220323503 /nfs/dbraw/zinc/32/35/03/220323503.db2.gz GDMYVQZSBRVUQO-DEOSSOPVSA-N 1 1 372.516 3.895 10 0 FHAEMO c1cnn(-c2ccc(C[N@@H+]3CCC[C@H](N4CCc5ccccc5C4)C3)cc2)c1 ZINC000020363053 220323506 /nfs/dbraw/zinc/32/35/06/220323506.db2.gz GDMYVQZSBRVUQO-DEOSSOPVSA-N 1 1 372.516 3.895 10 0 FHAEMO c1cnn(-c2ccc(C[N@H+]3CCC[C@H](N4CCc5ccccc5C4)C3)cc2)c1 ZINC000020363053 220323508 /nfs/dbraw/zinc/32/35/08/220323508.db2.gz GDMYVQZSBRVUQO-DEOSSOPVSA-N 1 1 372.516 3.895 10 0 FHAEMO CCCOc1cc(Cl)c(C[NH+]2CCC(NC(C)=O)CC2)cc1OCC ZINC000055403531 221069331 /nfs/dbraw/zinc/06/93/31/221069331.db2.gz QQTSAXYFKGTPHL-UHFFFAOYSA-N 1 1 368.905 3.628 10 0 FHAEMO Fc1cccc(C[N@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)c1 ZINC000065287793 221195912 /nfs/dbraw/zinc/19/59/12/221195912.db2.gz ISBARWWAHIUMPB-IBGZPJMESA-N 1 1 350.441 3.845 10 0 FHAEMO [NH3+][C@@H]1[C@H](C(=O)OCc2ccccc2)CN1C(c1ccccc1)c1ccccc1 ZINC000071186615 221336365 /nfs/dbraw/zinc/33/63/65/221336365.db2.gz DTELCEYOKMOYJA-GGAORHGYSA-N 1 1 372.468 3.736 10 0 FHAEMO CC[C@H]1CN(CCCOc2cccc(C(F)(F)F)c2)CC[N@H+]1CCOC ZINC000106113420 568644936 /nfs/dbraw/zinc/64/49/36/568644936.db2.gz GDUODNHDMIZTKE-KRWDZBQOSA-N 1 1 374.447 3.517 10 0 FHAEMO CC[C@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CCN1CCOC ZINC000106113420 568644938 /nfs/dbraw/zinc/64/49/38/568644938.db2.gz GDUODNHDMIZTKE-KRWDZBQOSA-N 1 1 374.447 3.517 10 0 FHAEMO CC[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CCN1CCOC ZINC000106113420 568644939 /nfs/dbraw/zinc/64/49/39/568644939.db2.gz GDUODNHDMIZTKE-KRWDZBQOSA-N 1 1 374.447 3.517 10 0 FHAEMO CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH+](Cc1nc(C)c(C)o1)CC2 ZINC000275496134 570714203 /nfs/dbraw/zinc/71/42/03/570714203.db2.gz ABKKFAITSUAVEN-SFHVURJKSA-N 1 1 373.522 3.756 10 0 FHAEMO Brc1cnsc1C[NH2+]Cc1cccc(Br)c1 ZINC000667401087 571151332 /nfs/dbraw/zinc/15/13/32/571151332.db2.gz 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VTMGVDGANWKULL-IBGZPJMESA-N 1 1 368.493 3.532 10 0 FHAEMO COCCC[N@H+](Cc1ccsc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031401 571239136 /nfs/dbraw/zinc/23/91/36/571239136.db2.gz HKFRKLRJGOFFPV-QGZVFWFLSA-N 1 1 369.914 3.680 10 0 FHAEMO COc1cccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000012725585 220022685 /nfs/dbraw/zinc/02/26/85/220022685.db2.gz XPPGISPQSRBRDM-IBGZPJMESA-N 1 1 372.896 3.672 10 0 FHAEMO COc1cccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000012725585 220022689 /nfs/dbraw/zinc/02/26/89/220022689.db2.gz XPPGISPQSRBRDM-IBGZPJMESA-N 1 1 372.896 3.672 10 0 FHAEMO CCCC[N@@H+](C)[C@H]1CCc2c(c(C(=O)N3CCCCCC3)nn2CC)C1 ZINC000014746614 220132366 /nfs/dbraw/zinc/13/23/66/220132366.db2.gz ABQKRIIYEBGPPB-KRWDZBQOSA-N 1 1 360.546 3.508 10 0 FHAEMO CC[C@H]1C[N@H+](Cc2cc3c(c(OC)c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000014993204 220140268 /nfs/dbraw/zinc/14/02/68/220140268.db2.gz UDJNQPCOJPBLSR-INIZCTEOSA-N 1 1 371.433 3.606 10 0 FHAEMO CC[C@H]1C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)Cc2cc(OC)ccc2O1 ZINC000014993204 220140271 /nfs/dbraw/zinc/14/02/71/220140271.db2.gz UDJNQPCOJPBLSR-INIZCTEOSA-N 1 1 371.433 3.606 10 0 FHAEMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](C4CCCCC4)C3)C2=O)c1 ZINC000015073664 220145560 /nfs/dbraw/zinc/14/55/60/220145560.db2.gz BSBKEJLKHBDAQT-JOCHJYFZSA-N 1 1 374.500 3.982 10 0 FHAEMO c1ccc2c(c1)[nH]c1c2CN(c2nc(C3CCCC3)nc3c2C[NH2+]C3)CC1 ZINC000072129380 136142148 /nfs/dbraw/zinc/14/21/48/136142148.db2.gz WSVRGMGCGXOMSY-UHFFFAOYSA-N 1 1 359.477 3.781 10 0 FHAEMO Fc1cccc(C[N@H+]2CCC[C@]3(C[C@H](CNc4ccccn4)CO3)C2)c1 ZINC000096228509 222090126 /nfs/dbraw/zinc/09/01/26/222090126.db2.gz IXXHVEIZXKUQTE-NQIIRXRSSA-N 1 1 355.457 3.704 10 0 FHAEMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c(OC)c1 ZINC000019842368 523779403 /nfs/dbraw/zinc/77/94/03/523779403.db2.gz NGTQJDOIWNFPHG-INIZCTEOSA-N 1 1 355.434 3.504 10 0 FHAEMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c(OC)c1 ZINC000019842368 523779405 /nfs/dbraw/zinc/77/94/05/523779405.db2.gz NGTQJDOIWNFPHG-INIZCTEOSA-N 1 1 355.434 3.504 10 0 FHAEMO CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000004102179 560196597 /nfs/dbraw/zinc/19/65/97/560196597.db2.gz PWMDANRQWZFAPB-GOSISDBHSA-N 1 1 362.495 3.641 10 0 in-vitro FHAEMO CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000004102179 560196598 /nfs/dbraw/zinc/19/65/98/560196598.db2.gz PWMDANRQWZFAPB-GOSISDBHSA-N 1 1 362.495 3.641 10 0 in-vitro FHAEMO CCn1ncc(C[N@@H+](C)Cc2ccc(OCc3ccccn3)cc2)c1C ZINC000215817825 568090429 /nfs/dbraw/zinc/09/04/29/568090429.db2.gz SLZFTELGLTXUPR-UHFFFAOYSA-N 1 1 350.466 3.817 10 0 FHAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCOC2CCCCC2)C1 ZINC000152005780 568271743 /nfs/dbraw/zinc/27/17/43/568271743.db2.gz SUVBLTPBGVIXIB-KRWDZBQOSA-N 1 1 362.518 3.531 10 0 FHAEMO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000583618781 570808196 /nfs/dbraw/zinc/80/81/96/570808196.db2.gz ITURVJFKKLWDJG-URVUXULASA-N 1 1 359.510 3.760 10 0 FHAEMO CC(C)c1noc([C@@H]([NH2+]Cc2cccc3[nH]ccc32)C2CCOCC2)n1 ZINC000583622103 570811321 /nfs/dbraw/zinc/81/13/21/570811321.db2.gz NUZYAVPYMZLYAD-SFHVURJKSA-N 1 1 354.454 3.932 10 0 FHAEMO CC(C)c1nsc(N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000328634739 571144632 /nfs/dbraw/zinc/14/46/32/571144632.db2.gz MYXCTDMCWRFOOX-ZDUSSCGKSA-N 1 1 363.556 3.609 10 0 FHAEMO CC(C)c1nsc(N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000328634739 571144634 /nfs/dbraw/zinc/14/46/34/571144634.db2.gz MYXCTDMCWRFOOX-ZDUSSCGKSA-N 1 1 363.556 3.609 10 0 FHAEMO CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)CC1 ZINC000328632955 571325439 /nfs/dbraw/zinc/32/54/39/571325439.db2.gz LPYOXDVNHYBMEE-GCJKJVERSA-N 1 1 366.509 3.749 10 0 FHAEMO O=C(CC[C@@H]1CCC[N@H+](C2CCOCC2)C1)NCc1ccccc1Cl ZINC000012476112 220000304 /nfs/dbraw/zinc/00/03/04/220000304.db2.gz VYMAQMQMSBMIRZ-INIZCTEOSA-N 1 1 364.917 3.627 10 0 FHAEMO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C[C@H]1C ZINC000013743328 220092498 /nfs/dbraw/zinc/09/24/98/220092498.db2.gz FRPRNNRJTCONEC-QIJUGHKUSA-N 1 1 366.505 3.874 10 0 in-man FHAEMO CN(C)C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccccc1 ZINC000020545559 220334100 /nfs/dbraw/zinc/33/41/00/220334100.db2.gz WXDDLLMVWTYGQR-QGZVFWFLSA-N 1 1 351.263 3.981 10 0 FHAEMO CC(C)C[C@@]1(CO)[NH2+][C@H](c2ccccc2-c2ccccc2)[C@@H]2CN(C)C[C@@H]21 ZINC000065373860 221205051 /nfs/dbraw/zinc/20/50/51/221205051.db2.gz XQWAPSKEGMLKCG-QPXUXIHVSA-N 1 1 364.533 3.953 10 0 FHAEMO C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccc3ccccc31)N[C@]2(CO)c1ccccc1 ZINC000065382156 221207181 /nfs/dbraw/zinc/20/71/81/221207181.db2.gz YMHMYUYWVASCDG-UEQSERJNSA-N 1 1 358.485 3.550 10 0 FHAEMO CCNc1ncc(C[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)CC2)cn1 ZINC000065461642 221221509 /nfs/dbraw/zinc/22/15/09/221221509.db2.gz VRGRNCQQSHIVBV-OAQYLSRUSA-N 1 1 350.466 3.739 10 0 FHAEMO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)Cc3cc(-c4ccccn4)no3)cc2c1 ZINC000067758244 221281684 /nfs/dbraw/zinc/28/16/84/221281684.db2.gz KNOYSHTYIZYSBR-UHFFFAOYSA-N 1 1 360.417 3.519 10 0 FHAEMO Cn1ncc(C[N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)c1C1CC1 ZINC000067935316 221306287 /nfs/dbraw/zinc/30/62/87/221306287.db2.gz PHVNFHLLPWNARA-UHFFFAOYSA-N 1 1 352.413 3.650 10 0 FHAEMO Cn1ncc(C[N@H+]2CCc3onc(-c4cccc(F)c4)c3C2)c1C1CC1 ZINC000067935316 221306288 /nfs/dbraw/zinc/30/62/88/221306288.db2.gz PHVNFHLLPWNARA-UHFFFAOYSA-N 1 1 352.413 3.650 10 0 FHAEMO COc1cc(C[N@H+]2CCCC23CCN(c2ccc(C)nn2)CC3)ccc1F ZINC000072423712 136146197 /nfs/dbraw/zinc/14/61/97/136146197.db2.gz HLNVUNBYIIKGFB-UHFFFAOYSA-N 1 1 370.472 3.568 10 0 FHAEMO Cc1csc(C[N@H+](C)[C@H]2CCC(=O)N(Cc3ccccc3C)CC2)n1 ZINC000020254560 526342288 /nfs/dbraw/zinc/34/22/88/526342288.db2.gz NUFRZVHOKGNWRF-SFHVURJKSA-N 1 1 357.523 3.773 10 0 FHAEMO COc1ccccc1[C@@H](CC(=O)N1CCCC1)c1c[nH+]c2n1C[C@H](C)CC2 ZINC000034920038 571148009 /nfs/dbraw/zinc/14/80/09/571148009.db2.gz TZWBLVATLINNCN-SJLPKXTDSA-N 1 1 367.493 3.618 10 0 FHAEMO CC(=O)N(Cc1cncnc1)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000328632956 571325384 /nfs/dbraw/zinc/32/53/84/571325384.db2.gz LPYOXDVNHYBMEE-PGRDOPGGSA-N 1 1 366.509 3.749 10 0 FHAEMO CCc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000012712684 220021642 /nfs/dbraw/zinc/02/16/42/220021642.db2.gz NMEWITNUYDQTAS-JOCHJYFZSA-N 1 1 368.500 3.666 10 0 FHAEMO CCc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)cn1 ZINC000012712684 220021643 /nfs/dbraw/zinc/02/16/43/220021643.db2.gz NMEWITNUYDQTAS-JOCHJYFZSA-N 1 1 368.500 3.666 10 0 FHAEMO CCc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)cn1 ZINC000012712684 220021646 /nfs/dbraw/zinc/02/16/46/220021646.db2.gz NMEWITNUYDQTAS-JOCHJYFZSA-N 1 1 368.500 3.666 10 0 FHAEMO Fc1ccc(-c2cnnc(NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)cc1 ZINC000012708822 220019682 /nfs/dbraw/zinc/01/96/82/220019682.db2.gz WEWQEENVBDVLJV-KRWDZBQOSA-N 1 1 363.440 3.612 10 0 FHAEMO COCC[N@H+]1CCC[C@]2(CCN(Cc3ccc(OC4CCCC4)cc3)C2)C1 ZINC000015071205 220145542 /nfs/dbraw/zinc/14/55/42/220145542.db2.gz KMLUFYAXSDKKGD-QHCPKHFHSA-N 1 1 372.553 3.942 10 0 FHAEMO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)C1 ZINC000015071205 220145553 /nfs/dbraw/zinc/14/55/53/220145553.db2.gz KMLUFYAXSDKKGD-QHCPKHFHSA-N 1 1 372.553 3.942 10 0 FHAEMO COCCN1CCC[C@]2(CC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C2)C1 ZINC000015071205 220145556 /nfs/dbraw/zinc/14/55/56/220145556.db2.gz KMLUFYAXSDKKGD-QHCPKHFHSA-N 1 1 372.553 3.942 10 0 FHAEMO [NH3+][C@@H]1c2cc(Br)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000016082919 220177531 /nfs/dbraw/zinc/17/75/31/220177531.db2.gz AESMUIYRGWKTGE-CQSZACIVSA-N 1 1 351.631 3.649 10 0 FHAEMO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@H+]2CC[C@H](C)C[C@@H]2C)c1 ZINC000016982917 220201140 /nfs/dbraw/zinc/20/11/40/220201140.db2.gz ASNCKFJWFVCYMZ-CKJXQJPGSA-N 1 1 357.498 3.527 10 0 FHAEMO Clc1cccc(-c2ccc(C[N@H+]3CCC[C@H](N4CCOCC4)C3)o2)c1 ZINC000019743212 220291087 /nfs/dbraw/zinc/29/10/87/220291087.db2.gz NUMGVQONJSHELV-SFHVURJKSA-N 1 1 360.885 3.897 10 0 FHAEMO CC(C)CCc1n[nH]c2c1C[N@H+]([C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000020209361 220319147 /nfs/dbraw/zinc/31/91/47/220319147.db2.gz UULGHTSXDVJGSV-SFHVURJKSA-N 1 1 356.489 3.774 10 0 FHAEMO CC(C)CCc1[nH]nc2c1C[N@@H+]([C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000020209361 220319151 /nfs/dbraw/zinc/31/91/51/220319151.db2.gz UULGHTSXDVJGSV-SFHVURJKSA-N 1 1 356.489 3.774 10 0 FHAEMO CC(C)CCc1[nH]nc2c1C[N@H+]([C@H]1CCN(c3ccc(F)cc3)C1)CC2 ZINC000020209361 220319155 /nfs/dbraw/zinc/31/91/55/220319155.db2.gz UULGHTSXDVJGSV-SFHVURJKSA-N 1 1 356.489 3.774 10 0 FHAEMO C[N@H+]1CCC[C@H](CNc2cc(Br)ccc2Br)C1 ZINC000054242311 221050911 /nfs/dbraw/zinc/05/09/11/221050911.db2.gz OFVWJDXWHXNSMY-SNVBAGLBSA-N 1 1 362.109 3.965 10 0 FHAEMO Oc1cccc2ccc(C[N@@H+](CCCn3ccnc3)Cc3cccnc3)nc12 ZINC000063870125 221143829 /nfs/dbraw/zinc/14/38/29/221143829.db2.gz BBVCJMKYJRUWIZ-UHFFFAOYSA-N 1 1 373.460 3.624 10 0 FHAEMO CC[N@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2Cc2csc(N)n2)C1 ZINC000065500135 221227517 /nfs/dbraw/zinc/22/75/17/221227517.db2.gz CSVZPXFRQSNGLH-INIZCTEOSA-N 1 1 367.522 3.836 10 0 FHAEMO C[C@H](NC(=O)[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccc2ccccc2c1 ZINC000069741164 221327196 /nfs/dbraw/zinc/32/71/96/221327196.db2.gz RLPNAROFMSFAIH-NPPFBWRTSA-N 1 1 365.521 3.576 10 0 FHAEMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)C2 ZINC000100243896 222239232 /nfs/dbraw/zinc/23/92/32/222239232.db2.gz KWPWPDLRHPHSLD-QDMKHBRRSA-N 1 1 373.349 3.968 10 0 FHAEMO CCc1[nH+]c2cc(N)ccc2n1-c1ccc(I)cc1 ZINC000103999241 222348042 /nfs/dbraw/zinc/34/80/42/222348042.db2.gz HFIIHFNCZRTVEM-UHFFFAOYSA-N 1 1 363.202 3.775 10 0 FHAEMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cccc2)cc1 ZINC000106109630 222382416 /nfs/dbraw/zinc/38/24/16/222382416.db2.gz MSGZKSQKXZDRTD-NRFANRHFSA-N 1 1 359.473 3.872 10 0 FHAEMO Cn1cc(CN2CCC([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cn1 ZINC000020905952 527197292 /nfs/dbraw/zinc/19/72/92/527197292.db2.gz DHAWIYNFQGKKQP-HXUWFJFHSA-N 1 1 372.944 3.808 10 0 FHAEMO Cn1cc(CN2CCC([C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)cn1 ZINC000020905952 527197300 /nfs/dbraw/zinc/19/73/00/527197300.db2.gz DHAWIYNFQGKKQP-HXUWFJFHSA-N 1 1 372.944 3.808 10 0 FHAEMO CCOC(=O)C1=CC2=C3[C@H]4N1c1ccccc1[C@@]4(CC)CC[N@H+]3CCC2 ZINC000334163019 528618411 /nfs/dbraw/zinc/61/84/11/528618411.db2.gz UOGHMAVLVKHQAS-IFMALSPDSA-N 1 1 350.462 3.737 10 0 FHAEMO COc1ccccc1-c1ncc(C[NH+]2CCN(c3cccnc3)CC2)s1 ZINC000077357079 536972920 /nfs/dbraw/zinc/97/29/20/536972920.db2.gz GANYJDOUBVAWPZ-UHFFFAOYSA-N 1 1 366.490 3.536 10 0 FHAEMO COC(=O)[C@@]1(C)CCC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000186366267 567908538 /nfs/dbraw/zinc/90/85/38/567908538.db2.gz WUWPNTRYSOYHRI-JOCHJYFZSA-N 1 1 366.461 3.710 10 0 FHAEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)C)cc2)C1 ZINC000128567747 568038073 /nfs/dbraw/zinc/03/80/73/568038073.db2.gz HVUOQIWIEHPWCC-QGZVFWFLSA-N 1 1 361.511 3.595 10 0 FHAEMO CC[C@]1(N2CC[NH+](CC(C)C)CC2)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000725265703 570539768 /nfs/dbraw/zinc/53/97/68/570539768.db2.gz VGZHKZRVEAJAPV-NRFANRHFSA-N 1 1 367.578 3.830 10 0 FHAEMO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103524 571242160 /nfs/dbraw/zinc/24/21/60/571242160.db2.gz BBLXQMBCJHJVSX-SFHVURJKSA-N 1 1 351.487 3.923 10 0 FHAEMO Cc1noc(CCC[N@@H+]2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)n1 ZINC000328605397 571323884 /nfs/dbraw/zinc/32/38/84/571323884.db2.gz NFRMHPPLGRJHRL-MRXNPFEDSA-N 1 1 371.416 3.727 10 0 FHAEMO Cc1noc(CCC[N@H+]2CCCC[C@@H]2c2nnc(-c3ccccc3F)o2)n1 ZINC000328605397 571323885 /nfs/dbraw/zinc/32/38/85/571323885.db2.gz NFRMHPPLGRJHRL-MRXNPFEDSA-N 1 1 371.416 3.727 10 0 FHAEMO C[N@H+](Cc1ccc(Cl)cn1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328643588 571325737 /nfs/dbraw/zinc/32/57/37/571325737.db2.gz RMBJMHIVBNTJDN-NSHDSACASA-N 1 1 358.795 3.645 10 0 FHAEMO