smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(Cl)nsc1N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000301915840 971114447 /nfs/dbraw/zinc/11/44/47/971114447.db2.gz AIVXMQZFNKQPDU-UHFFFAOYSA-N 1 2 420.951 3.534 20 30 HHEDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303639040 971918583 /nfs/dbraw/zinc/91/85/83/971918583.db2.gz ARRXFYFLLNZPKG-LLVKDONJSA-N 1 2 400.338 3.690 20 30 HHEDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303639040 971918597 /nfs/dbraw/zinc/91/85/97/971918597.db2.gz ARRXFYFLLNZPKG-LLVKDONJSA-N 1 2 400.338 3.690 20 30 HHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303670879 971949293 /nfs/dbraw/zinc/94/92/93/971949293.db2.gz GIZFTLCHBZLESM-KRWDZBQOSA-N 1 2 423.586 3.601 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000524305636 1013120680 /nfs/dbraw/zinc/12/06/80/1013120680.db2.gz ZNGJSYSKHVDGCV-UHFFFAOYSA-N 1 2 422.529 3.866 20 30 HHEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 ZINC000303898625 972436437 /nfs/dbraw/zinc/43/64/37/972436437.db2.gz LCBPWEFPPOGTKA-OAHLLOKOSA-N 1 2 408.531 3.703 20 30 HHEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 ZINC000303898625 972436441 /nfs/dbraw/zinc/43/64/41/972436441.db2.gz LCBPWEFPPOGTKA-OAHLLOKOSA-N 1 2 408.531 3.703 20 30 HHEDLO CCO[C@H](C)c1nc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)cs1 ZINC000303909763 972481497 /nfs/dbraw/zinc/48/14/97/972481497.db2.gz UJPDRISZKJPNNB-MRXNPFEDSA-N 1 2 413.547 3.939 20 30 HHEDLO CCCCn1c(SCC(=O)NC2(C#N)CCCCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000004494735 960596961 /nfs/dbraw/zinc/59/69/61/960596961.db2.gz NWEINKNKJRDFSE-MRXNPFEDSA-N 1 2 406.600 3.526 20 30 HHEDLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778883 963714862 /nfs/dbraw/zinc/71/48/62/963714862.db2.gz BYFCRZCELDWESC-NRFANRHFSA-N 1 2 416.569 3.503 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022788150 963717410 /nfs/dbraw/zinc/71/74/10/963717410.db2.gz KURKUDRMJFQNID-KRZKXXONSA-N 1 2 408.933 3.870 20 30 HHEDLO C[C@@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2ccccc2c1 ZINC000023258441 963789518 /nfs/dbraw/zinc/78/95/18/963789518.db2.gz UJZYDVURRWPSPS-HXUWFJFHSA-N 1 2 412.537 3.706 20 30 HHEDLO N#Cc1cccc(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000048977846 964102726 /nfs/dbraw/zinc/10/27/26/964102726.db2.gz STMHLFSQMURPGZ-LJQANCHMSA-N 1 2 400.885 3.987 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000026520530 964586412 /nfs/dbraw/zinc/58/64/12/964586412.db2.gz XHXFMDAMXGFJOO-UHFFFAOYSA-N 1 2 416.447 3.647 20 30 HHEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621481 964639407 /nfs/dbraw/zinc/63/94/07/964639407.db2.gz TVEFQMIBNBLXRO-LJQANCHMSA-N 1 2 416.525 3.642 20 30 HHEDLO C=CCc1cc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc(OC)c1OC ZINC000051778133 964696435 /nfs/dbraw/zinc/69/64/35/964696435.db2.gz LVJBGAVUBYRFOZ-UHFFFAOYSA-N 1 2 415.559 3.521 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000051852302 964721838 /nfs/dbraw/zinc/72/18/38/964721838.db2.gz WRZMGJYLBPOHIO-UHFFFAOYSA-N 1 2 402.420 3.728 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000051852302 964721842 /nfs/dbraw/zinc/72/18/42/964721842.db2.gz WRZMGJYLBPOHIO-UHFFFAOYSA-N 1 2 402.420 3.728 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801024 964986905 /nfs/dbraw/zinc/98/69/05/964986905.db2.gz ZWHFEWPOIVCYAA-OAHLLOKOSA-N 1 2 400.885 3.890 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801024 964986911 /nfs/dbraw/zinc/98/69/11/964986911.db2.gz ZWHFEWPOIVCYAA-OAHLLOKOSA-N 1 2 400.885 3.890 20 30 HHEDLO COc1ccc(Br)cc1C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746223 965174892 /nfs/dbraw/zinc/17/48/92/965174892.db2.gz APSOTKPUVDLOHH-SFHVURJKSA-N 1 2 414.303 3.567 20 30 HHEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746223 965174901 /nfs/dbraw/zinc/17/49/01/965174901.db2.gz APSOTKPUVDLOHH-SFHVURJKSA-N 1 2 414.303 3.567 20 30 HHEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)c2=S)CC1 ZINC000029436274 965378601 /nfs/dbraw/zinc/37/86/01/965378601.db2.gz SXIHPQUNEOAZJX-UHFFFAOYSA-N 1 2 417.582 3.895 20 30 HHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000057359074 965412937 /nfs/dbraw/zinc/41/29/37/965412937.db2.gz JCWJUCCKTUJLNE-UHFFFAOYSA-N 1 2 417.469 3.823 20 30 HHEDLO CC(C)(C#N)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)cc1 ZINC000029665875 965453597 /nfs/dbraw/zinc/45/35/97/965453597.db2.gz DEOAVXLQAZXEBZ-UHFFFAOYSA-N 1 2 420.494 3.936 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000029686917 965457525 /nfs/dbraw/zinc/45/75/25/965457525.db2.gz CZAYVKKRGBYORJ-SFHVURJKSA-N 1 2 402.970 3.703 20 30 HHEDLO Cc1oc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c(C#N)c1C ZINC000029690059 965459981 /nfs/dbraw/zinc/45/99/81/965459981.db2.gz LPADPPAOQSWOGJ-HNNXBMFYSA-N 1 2 400.910 3.739 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000029760020 965488827 /nfs/dbraw/zinc/48/88/27/965488827.db2.gz OBMMCGHSDXNZDK-UHFFFAOYSA-N 1 2 404.297 3.588 20 30 HHEDLO C[C@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454799 965524526 /nfs/dbraw/zinc/52/45/26/965524526.db2.gz ZXGSTPWXGHKZCL-SFHVURJKSA-N 1 2 410.949 3.597 20 30 HHEDLO C[C@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454799 965524540 /nfs/dbraw/zinc/52/45/40/965524540.db2.gz ZXGSTPWXGHKZCL-SFHVURJKSA-N 1 2 410.949 3.597 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859788 965530904 /nfs/dbraw/zinc/53/09/04/965530904.db2.gz BMQHZFWRANWIBD-LJQANCHMSA-N 1 2 408.521 3.645 20 30 HHEDLO N#Cc1cc(Br)ccc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000553881621 1013673773 /nfs/dbraw/zinc/67/37/73/1013673773.db2.gz ZYXIOFCVPSKSHI-MRXNPFEDSA-N 1 2 410.109 3.906 20 30 HHEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354371 966784646 /nfs/dbraw/zinc/78/46/46/966784646.db2.gz XUQCGNTUEOLPRF-IBGZPJMESA-N 1 2 404.558 3.828 20 30 HHEDLO N#Cc1ccc(OC2CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC2)c(F)c1 ZINC000553920538 1013701665 /nfs/dbraw/zinc/70/16/65/1013701665.db2.gz CHGABWNAGIWKLV-UHFFFAOYSA-N 1 2 419.460 3.636 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000538147955 1013707849 /nfs/dbraw/zinc/70/78/49/1013707849.db2.gz RTBUZZOVKMDGRZ-SJORKVTESA-N 1 2 424.574 3.683 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000538147955 1013707854 /nfs/dbraw/zinc/70/78/54/1013707854.db2.gz RTBUZZOVKMDGRZ-SJORKVTESA-N 1 2 424.574 3.683 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1Cl ZINC000553939229 1013711826 /nfs/dbraw/zinc/71/18/26/1013711826.db2.gz OWUAGIGXQYLNQR-WMLDXEAASA-N 1 2 401.919 3.651 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1Cl ZINC000553939229 1013711824 /nfs/dbraw/zinc/71/18/24/1013711824.db2.gz OWUAGIGXQYLNQR-WMLDXEAASA-N 1 2 401.919 3.651 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1C ZINC000064992076 967344073 /nfs/dbraw/zinc/34/40/73/967344073.db2.gz JTGGJRIILIMZCF-UHFFFAOYSA-N 1 2 424.570 3.506 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3c(Cl)cccc3Cl)CC2)cc1 ZINC000065517707 967502700 /nfs/dbraw/zinc/50/27/00/967502700.db2.gz YOTLTJIEMOXMKS-UHFFFAOYSA-N 1 2 417.340 3.935 20 30 HHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000046550473 967855051 /nfs/dbraw/zinc/85/50/51/967855051.db2.gz YUHLLPPSULSEAB-OAHLLOKOSA-N 1 2 414.579 3.673 20 30 HHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000046550473 967855069 /nfs/dbraw/zinc/85/50/69/967855069.db2.gz YUHLLPPSULSEAB-OAHLLOKOSA-N 1 2 414.579 3.673 20 30 HHEDLO CC(C)Oc1cccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000046663709 967910111 /nfs/dbraw/zinc/91/01/11/967910111.db2.gz YULYYBXQUOXTCB-IBGZPJMESA-N 1 2 406.530 3.934 20 30 HHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554105539 1013799891 /nfs/dbraw/zinc/79/98/91/1013799891.db2.gz WUOUVDNUDXOFLF-FQEVSTJZSA-N 1 2 413.905 3.646 20 30 HHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554105539 1013799898 /nfs/dbraw/zinc/79/98/98/1013799898.db2.gz WUOUVDNUDXOFLF-FQEVSTJZSA-N 1 2 413.905 3.646 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCC(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000048477159 968565218 /nfs/dbraw/zinc/56/52/18/968565218.db2.gz OUSAFARHUZRLBN-UHFFFAOYSA-N 1 2 411.452 3.534 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCC(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000048477159 968565225 /nfs/dbraw/zinc/56/52/25/968565225.db2.gz OUSAFARHUZRLBN-UHFFFAOYSA-N 1 2 411.452 3.534 20 30 HHEDLO Cc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cc1F ZINC000097571422 969165265 /nfs/dbraw/zinc/16/52/65/969165265.db2.gz BKUIBXCBACWFTM-INIZCTEOSA-N 1 2 422.460 3.772 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC000110297091 969649219 /nfs/dbraw/zinc/64/92/19/969649219.db2.gz GZIAUBMYSNZLBS-MRXNPFEDSA-N 1 2 424.303 3.566 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1C ZINC000110991352 969755548 /nfs/dbraw/zinc/75/55/48/969755548.db2.gz KYFILRXGERHZNF-UHFFFAOYSA-N 1 2 405.502 3.798 20 30 HHEDLO CCOc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000138969827 970017248 /nfs/dbraw/zinc/01/72/48/970017248.db2.gz SETLKFMTXJGNRT-UHFFFAOYSA-N 1 2 419.481 3.940 20 30 HHEDLO COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000138969410 970017317 /nfs/dbraw/zinc/01/73/17/970017317.db2.gz DVFVFIPUHHFRRQ-UHFFFAOYSA-N 1 2 419.481 3.858 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000144381980 970230275 /nfs/dbraw/zinc/23/02/75/970230275.db2.gz XXWOQNFNMFVTGE-UHFFFAOYSA-N 1 2 416.412 3.985 20 30 HHEDLO CN(C(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)C1(C#N)CCCCC1 ZINC000165121908 970455571 /nfs/dbraw/zinc/45/55/71/970455571.db2.gz JUNMDVBXXWATSH-QFIPXVFZSA-N 1 2 404.514 3.641 20 30 HHEDLO CCCCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nnc1[C@H](CC)[NH+](C)C ZINC000195538679 970499590 /nfs/dbraw/zinc/49/95/90/970499590.db2.gz RLIHBTUBXKMGCJ-SJORKVTESA-N 1 2 420.627 3.914 20 30 HHEDLO COc1cccc(C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]2CCCO2)c1 ZINC000426413161 974438041 /nfs/dbraw/zinc/43/80/41/974438041.db2.gz VTROZYMOMILSEF-LJQANCHMSA-N 1 2 413.543 3.865 20 30 HHEDLO COc1cccc(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]2CCCO2)c1 ZINC000426413161 974438045 /nfs/dbraw/zinc/43/80/45/974438045.db2.gz VTROZYMOMILSEF-LJQANCHMSA-N 1 2 413.543 3.865 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1 ZINC000428056680 975409783 /nfs/dbraw/zinc/40/97/83/975409783.db2.gz AXGHILQKXCSWKY-FQEVSTJZSA-N 1 2 409.555 3.691 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1 ZINC000428056680 975409796 /nfs/dbraw/zinc/40/97/96/975409796.db2.gz AXGHILQKXCSWKY-FQEVSTJZSA-N 1 2 409.555 3.691 20 30 HHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000428689176 975979791 /nfs/dbraw/zinc/97/97/91/975979791.db2.gz BUVLBBRNPDQRBH-UHFFFAOYSA-N 1 2 406.515 3.802 20 30 HHEDLO Cc1cc(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1ccco1 ZINC000428796153 976072904 /nfs/dbraw/zinc/07/29/04/976072904.db2.gz UXPBEUQHMQKTIZ-NQIIRXRSSA-N 1 2 418.497 3.737 20 30 HHEDLO Cc1cc(C(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1ccco1 ZINC000428796153 976072919 /nfs/dbraw/zinc/07/29/19/976072919.db2.gz UXPBEUQHMQKTIZ-NQIIRXRSSA-N 1 2 418.497 3.737 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000429171047 976460087 /nfs/dbraw/zinc/46/00/87/976460087.db2.gz MHJHGTUFLVEZNL-SFHVURJKSA-N 1 2 406.960 3.852 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000429171047 976460094 /nfs/dbraw/zinc/46/00/94/976460094.db2.gz MHJHGTUFLVEZNL-SFHVURJKSA-N 1 2 406.960 3.852 20 30 HHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000429368262 976639515 /nfs/dbraw/zinc/63/95/15/976639515.db2.gz XLEXBKXKTPGQBE-LJQANCHMSA-N 1 2 401.470 3.665 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccc(Br)cc4)c[nH]3)C2)nc1 ZINC000430179343 977372804 /nfs/dbraw/zinc/37/28/04/977372804.db2.gz OFSVNWFYPKVZPZ-QGZVFWFLSA-N 1 2 424.302 3.759 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccc(Br)cc4)c[nH]3)C2)nc1 ZINC000430179343 977372811 /nfs/dbraw/zinc/37/28/11/977372811.db2.gz OFSVNWFYPKVZPZ-QGZVFWFLSA-N 1 2 424.302 3.759 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)ccc1Cl ZINC000430251400 977420538 /nfs/dbraw/zinc/42/05/38/977420538.db2.gz DBWJTIGOMLBZPI-NPPFBWRTSA-N 1 2 419.953 3.554 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)ccc1Cl ZINC000430251400 977420542 /nfs/dbraw/zinc/42/05/42/977420542.db2.gz DBWJTIGOMLBZPI-NPPFBWRTSA-N 1 2 419.953 3.554 20 30 HHEDLO C=CCN1C(=O)N(Cc2cc[nH+]c(N3CCCCC3)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430820306 977776531 /nfs/dbraw/zinc/77/65/31/977776531.db2.gz FJJVKPLAXJOUBA-OAQYLSRUSA-N 1 2 404.514 3.633 20 30 HHEDLO COc1cccc(C(=O)CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000431681361 978432425 /nfs/dbraw/zinc/43/24/25/978432425.db2.gz YDVKDGLIUWCQRS-UHFFFAOYSA-N 1 2 419.525 3.654 20 30 HHEDLO COc1cccc(C(=O)CCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000431681361 978432430 /nfs/dbraw/zinc/43/24/30/978432430.db2.gz YDVKDGLIUWCQRS-UHFFFAOYSA-N 1 2 419.525 3.654 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000433734167 979529949 /nfs/dbraw/zinc/52/99/49/979529949.db2.gz WWRDOOKNPWSACE-KXBFYZLASA-N 1 2 414.962 3.757 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cc(F)c(Cl)cc3F)CC2)cc1 ZINC000434853731 980448373 /nfs/dbraw/zinc/44/83/73/980448373.db2.gz BTCYHWFLGLGTPM-UHFFFAOYSA-N 1 2 404.848 3.517 20 30 HHEDLO COc1cc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)c(SC)cc1OC ZINC000435045789 980593670 /nfs/dbraw/zinc/59/36/70/980593670.db2.gz XXQDCKGUHLQKLX-OAHLLOKOSA-N 1 2 417.556 3.596 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)c(SC)cc1OC ZINC000435045789 980593677 /nfs/dbraw/zinc/59/36/77/980593677.db2.gz XXQDCKGUHLQKLX-OAHLLOKOSA-N 1 2 417.556 3.596 20 30 HHEDLO N#CCCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C12CC3CC(CC(C3)C1)C2 ZINC000460464087 982258108 /nfs/dbraw/zinc/25/81/08/982258108.db2.gz BHNOBXSEYHVANB-IZJILKLZSA-N 1 2 407.558 3.598 20 30 HHEDLO N#CCCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C12CC3CC(CC(C3)C1)C2 ZINC000460464087 982258110 /nfs/dbraw/zinc/25/81/10/982258110.db2.gz BHNOBXSEYHVANB-IZJILKLZSA-N 1 2 407.558 3.598 20 30 HHEDLO C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000460553581 982339859 /nfs/dbraw/zinc/33/98/59/982339859.db2.gz QLEILSILDMDBJO-PKTZIBPZSA-N 1 2 415.541 3.611 20 30 HHEDLO C=C(C)Cn1c(-c2ccccc2)nnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000460553581 982339866 /nfs/dbraw/zinc/33/98/66/982339866.db2.gz QLEILSILDMDBJO-PKTZIBPZSA-N 1 2 415.541 3.611 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000438046066 982547580 /nfs/dbraw/zinc/54/75/80/982547580.db2.gz BKLXVCZMJCUWQD-MSOLQXFVSA-N 1 2 402.564 3.799 20 30 HHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000438507676 982847586 /nfs/dbraw/zinc/84/75/86/982847586.db2.gz APNJCFIEAOFRHH-QGZVFWFLSA-N 1 2 403.461 3.990 20 30 HHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000438507676 982847595 /nfs/dbraw/zinc/84/75/95/982847595.db2.gz APNJCFIEAOFRHH-QGZVFWFLSA-N 1 2 403.461 3.990 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)c1 ZINC000439332496 983369220 /nfs/dbraw/zinc/36/92/20/983369220.db2.gz SWQVHFWQAJPEDI-UHFFFAOYSA-N 1 2 406.910 3.946 20 30 HHEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3Cl)CC2)cc(OC)c1OC ZINC000439450259 983415184 /nfs/dbraw/zinc/41/51/84/983415184.db2.gz KLUBOOVVNTZLNS-UHFFFAOYSA-N 1 2 415.921 3.555 20 30 HHEDLO Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000439962381 983596558 /nfs/dbraw/zinc/59/65/58/983596558.db2.gz QDHNFMJWQAJRHV-UHFFFAOYSA-N 1 2 414.513 3.617 20 30 HHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000440098281 983643664 /nfs/dbraw/zinc/64/36/64/983643664.db2.gz GPBJMKSAAOSQIS-VFNWGFHPSA-N 1 2 412.484 3.913 20 30 HHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000440098281 983643666 /nfs/dbraw/zinc/64/36/66/983643666.db2.gz GPBJMKSAAOSQIS-VFNWGFHPSA-N 1 2 412.484 3.913 20 30 HHEDLO CCCNc1ccc(C#N)cc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000461693653 984710734 /nfs/dbraw/zinc/71/07/34/984710734.db2.gz VCCPIBCACCMBEC-UHFFFAOYSA-N 1 2 416.485 3.858 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(C)c1 ZINC000461963017 984953044 /nfs/dbraw/zinc/95/30/44/984953044.db2.gz QPTZUICJEKATEX-QHCPKHFHSA-N 1 2 415.497 3.586 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)c2cccc(Cl)c2C#N)c(C)c1 ZINC000443381036 985540860 /nfs/dbraw/zinc/54/08/60/985540860.db2.gz BHFNNUXPBRNNDT-LJQANCHMSA-N 1 2 414.918 3.745 20 30 HHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000468132438 985797229 /nfs/dbraw/zinc/79/72/29/985797229.db2.gz MQNDMDDMQNDLCD-CQSZACIVSA-N 1 2 409.964 3.731 20 30 HHEDLO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000468132438 985797236 /nfs/dbraw/zinc/79/72/36/985797236.db2.gz MQNDMDDMQNDLCD-CQSZACIVSA-N 1 2 409.964 3.731 20 30 HHEDLO FC(F)C(F)(F)COCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000469042816 986753027 /nfs/dbraw/zinc/75/30/27/986753027.db2.gz SQHAQKIONPEMST-UHFFFAOYSA-N 1 2 402.354 3.740 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000444713457 986885717 /nfs/dbraw/zinc/88/57/17/986885717.db2.gz AQBICMDEBWCFMX-KDOFPFPSSA-N 1 2 417.859 3.530 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000444713457 986885730 /nfs/dbraw/zinc/88/57/30/986885730.db2.gz AQBICMDEBWCFMX-KDOFPFPSSA-N 1 2 417.859 3.530 20 30 HHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000469325084 987034634 /nfs/dbraw/zinc/03/46/34/987034634.db2.gz YVJHERAFTCBZBV-SFHVURJKSA-N 1 2 403.461 3.590 20 30 HHEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000469609932 987273280 /nfs/dbraw/zinc/27/32/80/987273280.db2.gz VSFRVTNLMDSLBK-KRWDZBQOSA-N 1 2 417.513 3.640 20 30 HHEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000469609932 987273294 /nfs/dbraw/zinc/27/32/94/987273294.db2.gz VSFRVTNLMDSLBK-KRWDZBQOSA-N 1 2 417.513 3.640 20 30 HHEDLO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000463845938 987950433 /nfs/dbraw/zinc/95/04/33/987950433.db2.gz JPSNMPMUAMTIDF-IAGOWNOFSA-N 1 2 413.946 3.616 20 30 HHEDLO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000463845938 987950440 /nfs/dbraw/zinc/95/04/40/987950440.db2.gz JPSNMPMUAMTIDF-IAGOWNOFSA-N 1 2 413.946 3.616 20 30 HHEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](c2ccsc2)O1 ZINC000470218088 988145668 /nfs/dbraw/zinc/14/56/68/988145668.db2.gz LLEFFQBGZMSARZ-SUMWQHHRSA-N 1 2 401.557 3.961 20 30 HHEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](c2ccsc2)O1 ZINC000470218088 988145676 /nfs/dbraw/zinc/14/56/76/988145676.db2.gz LLEFFQBGZMSARZ-SUMWQHHRSA-N 1 2 401.557 3.961 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)c1C#N ZINC000464820888 989057722 /nfs/dbraw/zinc/05/77/22/989057722.db2.gz GVTJAARKMXIUFI-UHFFFAOYSA-N 1 2 420.557 3.854 20 30 HHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000471007797 989076065 /nfs/dbraw/zinc/07/60/65/989076065.db2.gz RSIJLBUMARKMFM-IBGZPJMESA-N 1 2 400.866 3.509 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)c3cccc(-n4cc[nH+]c4)c3)C2)n1 ZINC000471430347 989608807 /nfs/dbraw/zinc/60/88/07/989608807.db2.gz CPEGDENRQZKDQK-GHTZIAJQSA-N 1 2 414.513 3.541 20 30 HHEDLO COc1ccc([C@@H](C)CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000466046698 991216712 /nfs/dbraw/zinc/21/67/12/991216712.db2.gz YKDXVUJWPCFDBX-IBGZPJMESA-N 1 2 406.530 3.588 20 30 HHEDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 ZINC000467115881 992429548 /nfs/dbraw/zinc/42/95/48/992429548.db2.gz FENICHNSKGVDSF-XLIONFOSSA-N 1 2 411.502 3.907 20 30 HHEDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 ZINC000467115881 992429556 /nfs/dbraw/zinc/42/95/56/992429556.db2.gz FENICHNSKGVDSF-XLIONFOSSA-N 1 2 411.502 3.907 20 30 HHEDLO COCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc2c(c1)OCO2 ZINC000472243147 993270567 /nfs/dbraw/zinc/27/05/67/993270567.db2.gz VHICQWLGJQVMCG-UHFFFAOYSA-N 1 2 419.481 3.615 20 30 HHEDLO COCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc2c(c1)OCO2 ZINC000472243147 993270572 /nfs/dbraw/zinc/27/05/72/993270572.db2.gz VHICQWLGJQVMCG-UHFFFAOYSA-N 1 2 419.481 3.615 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481709897 994571830 /nfs/dbraw/zinc/57/18/30/994571830.db2.gz BCQORNJPAGMVOV-WNSKOXEYSA-N 1 2 407.539 3.957 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481709897 994571838 /nfs/dbraw/zinc/57/18/38/994571838.db2.gz BCQORNJPAGMVOV-WNSKOXEYSA-N 1 2 407.539 3.957 20 30 HHEDLO CCOc1cc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000481759701 994612215 /nfs/dbraw/zinc/61/22/15/994612215.db2.gz HQRMZHWNCFUKHH-UHFFFAOYSA-N 1 2 400.866 3.841 20 30 HHEDLO Cc1cccc([C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(F)(F)F)c1 ZINC000482032353 994948988 /nfs/dbraw/zinc/94/89/88/994948988.db2.gz LBJOSWIFPWWTJH-HXUWFJFHSA-N 1 2 416.447 3.998 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474189178 995180856 /nfs/dbraw/zinc/18/08/56/995180856.db2.gz MJFMPCDLBUDQET-FPOVZHCZSA-N 1 2 413.443 3.959 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474189178 995180862 /nfs/dbraw/zinc/18/08/62/995180862.db2.gz MJFMPCDLBUDQET-FPOVZHCZSA-N 1 2 413.443 3.959 20 30 HHEDLO C=CCSc1ccccc1C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000474270318 995267506 /nfs/dbraw/zinc/26/75/06/995267506.db2.gz BXGOAJKNCWZXTP-UHFFFAOYSA-N 1 2 409.555 3.881 20 30 HHEDLO N#CC[C@H](CC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000474288640 995281340 /nfs/dbraw/zinc/28/13/40/995281340.db2.gz CISPDAVRUJKTKA-HXUWFJFHSA-N 1 2 411.933 3.951 20 30 HHEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000474295601 995286120 /nfs/dbraw/zinc/28/61/20/995286120.db2.gz ZDZOXIZOJUUTFW-UHFFFAOYSA-N 1 2 411.933 3.978 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000474430697 995394032 /nfs/dbraw/zinc/39/40/32/995394032.db2.gz ZPUGEXZQEFWDFQ-UHFFFAOYSA-N 1 2 407.342 3.810 20 30 HHEDLO N#CC1(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000482608885 995606827 /nfs/dbraw/zinc/60/68/27/995606827.db2.gz WYKSIPFIGUWVJQ-UHFFFAOYSA-N 1 2 415.537 3.813 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000483037432 995934292 /nfs/dbraw/zinc/93/42/92/995934292.db2.gz CXCFPJQMYYDJQE-CQSZACIVSA-N 1 2 421.423 3.719 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000483268435 996072059 /nfs/dbraw/zinc/07/20/59/996072059.db2.gz FGKYNWKGJDDZFB-HXUWFJFHSA-N 1 2 414.509 3.966 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483364805 996128595 /nfs/dbraw/zinc/12/85/95/996128595.db2.gz IXCHHDILGMUCRX-INIZCTEOSA-N 1 2 419.464 3.909 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483364805 996128598 /nfs/dbraw/zinc/12/85/98/996128598.db2.gz IXCHHDILGMUCRX-INIZCTEOSA-N 1 2 419.464 3.909 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)C2 ZINC000475457770 996152869 /nfs/dbraw/zinc/15/28/69/996152869.db2.gz PBSQGIMQKPNXJC-GUYCJALGSA-N 1 2 401.308 3.782 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)CC2 ZINC000475457770 996152873 /nfs/dbraw/zinc/15/28/73/996152873.db2.gz PBSQGIMQKPNXJC-GUYCJALGSA-N 1 2 401.308 3.782 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475609161 996245425 /nfs/dbraw/zinc/24/54/25/996245425.db2.gz QEVCBSILPAQUCX-ZJSXRUAMSA-N 1 2 405.542 3.823 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000477014360 997647113 /nfs/dbraw/zinc/64/71/13/997647113.db2.gz RQHFGFAFKADPRV-IBGZPJMESA-N 1 2 403.404 3.979 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000477014360 997647120 /nfs/dbraw/zinc/64/71/20/997647120.db2.gz RQHFGFAFKADPRV-IBGZPJMESA-N 1 2 403.404 3.979 20 30 HHEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)cc1F ZINC000485299461 997703285 /nfs/dbraw/zinc/70/32/85/997703285.db2.gz GIFCBMVTABRBBQ-FOIQADDNSA-N 1 2 419.460 3.902 20 30 HHEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)cc1F ZINC000485299464 997703660 /nfs/dbraw/zinc/70/36/60/997703660.db2.gz GIFCBMVTABRBBQ-YWZLYKJASA-N 1 2 419.460 3.902 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000477249714 997924441 /nfs/dbraw/zinc/92/44/41/997924441.db2.gz IDVWIPLBAXOIRU-FQEVSTJZSA-N 1 2 418.484 3.963 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000477513695 998235077 /nfs/dbraw/zinc/23/50/77/998235077.db2.gz VRDNBNOXPKFQNN-OAQYLSRUSA-N 1 2 423.557 3.684 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000478395225 998935449 /nfs/dbraw/zinc/93/54/49/998935449.db2.gz DSKCLPZQZNSBGS-UHFFFAOYSA-N 1 2 407.461 3.646 20 30 HHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000478397425 998936538 /nfs/dbraw/zinc/93/65/38/998936538.db2.gz MFAJVUPZFPXAMA-KRWDZBQOSA-N 1 2 416.447 3.540 20 30 HHEDLO COc1ccc2[nH]cc(C3=CC[N@H+](CCS(=O)(=O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000478417750 998947147 /nfs/dbraw/zinc/94/71/47/998947147.db2.gz NWVNSZBQOLZSPI-UHFFFAOYSA-N 1 2 421.522 3.611 20 30 HHEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](CCS(=O)(=O)c4ccc(C#N)cc4)CC3)c2c1 ZINC000478417750 998947152 /nfs/dbraw/zinc/94/71/52/998947152.db2.gz NWVNSZBQOLZSPI-UHFFFAOYSA-N 1 2 421.522 3.611 20 30 HHEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C(N)=O)cc1 ZINC000479186537 999316535 /nfs/dbraw/zinc/31/65/35/999316535.db2.gz DCFINGKBNAUHPZ-HNNXBMFYSA-N 1 2 412.209 3.656 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)cc1F ZINC000488116619 999381601 /nfs/dbraw/zinc/38/16/01/999381601.db2.gz WIOUHEBXVGZHHS-UHFFFAOYSA-N 1 2 412.415 3.855 20 30 HHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000480017214 999687911 /nfs/dbraw/zinc/68/79/11/999687911.db2.gz SHHOTSLGTKWTLX-SFHVURJKSA-N 1 2 400.530 3.762 20 30 HHEDLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000489601465 999800449 /nfs/dbraw/zinc/80/04/49/999800449.db2.gz BQSBNKQGYMSNMR-NRFANRHFSA-N 1 2 405.498 3.519 20 30 HHEDLO CCOc1cc2c(cc1OCC)C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000489601465 999800452 /nfs/dbraw/zinc/80/04/52/999800452.db2.gz BQSBNKQGYMSNMR-NRFANRHFSA-N 1 2 405.498 3.519 20 30 HHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000492557153 1000132453 /nfs/dbraw/zinc/13/24/53/1000132453.db2.gz HPNINTOODZDZJK-VGSWGCGISA-N 1 2 408.933 3.696 20 30 HHEDLO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2Br)cc1 ZINC000492821631 1000145615 /nfs/dbraw/zinc/14/56/15/1000145615.db2.gz ZHWXLFYFLRZETL-UHFFFAOYSA-N 1 2 403.276 3.505 20 30 HHEDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)cc1 ZINC000492821631 1000145616 /nfs/dbraw/zinc/14/56/16/1000145616.db2.gz ZHWXLFYFLRZETL-UHFFFAOYSA-N 1 2 403.276 3.505 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000504718456 1000339971 /nfs/dbraw/zinc/33/99/71/1000339971.db2.gz ZQZQQMSZXFVXRK-GOSISDBHSA-N 1 2 423.517 3.528 20 30 HHEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)c(OC(F)F)c1 ZINC000494254690 1000391858 /nfs/dbraw/zinc/39/18/58/1000391858.db2.gz UBWADXSGKWUBIR-UHFFFAOYSA-N 1 2 417.275 3.978 20 30 HHEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)cs2)c(OC(F)F)c1 ZINC000494254690 1000391864 /nfs/dbraw/zinc/39/18/64/1000391864.db2.gz UBWADXSGKWUBIR-UHFFFAOYSA-N 1 2 417.275 3.978 20 30 HHEDLO CSCC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnc2ccccn21 ZINC000494803413 1000666809 /nfs/dbraw/zinc/66/68/09/1000666809.db2.gz FEYFFHYYGBAJJN-HNNXBMFYSA-N 1 2 403.458 3.786 20 30 HHEDLO COc1ccccc1[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[NH2+]1 ZINC000505460812 1000789143 /nfs/dbraw/zinc/78/91/43/1000789143.db2.gz OOJZVLBDNMTTHO-OAQYLSRUSA-N 1 2 402.498 3.740 20 30 HHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@@H](C)O1 ZINC000495086832 1000826543 /nfs/dbraw/zinc/82/65/43/1000826543.db2.gz JHLGELFRHZTDSS-QZTJIDSGSA-N 1 2 415.497 3.605 20 30 HHEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1OC ZINC000505499288 1000838042 /nfs/dbraw/zinc/83/80/42/1000838042.db2.gz BRFTTWQPQPYKNW-SFHVURJKSA-N 1 2 410.514 3.788 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@@H]([C@@H](C)O)C3)sc2C1 ZINC000506018595 1001166595 /nfs/dbraw/zinc/16/65/95/1001166595.db2.gz XXESYRMOLZJMFT-BZUAXINKSA-N 1 2 403.592 3.802 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@@H]([C@@H](C)O)C3)sc2C1 ZINC000506018595 1001166602 /nfs/dbraw/zinc/16/66/02/1001166602.db2.gz XXESYRMOLZJMFT-BZUAXINKSA-N 1 2 403.592 3.802 20 30 HHEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000506249050 1001305792 /nfs/dbraw/zinc/30/57/92/1001305792.db2.gz YKINEYJHRXTZLO-UHFFFAOYSA-N 1 2 420.948 3.791 20 30 HHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2ccc(C#N)cc2)cc1 ZINC000497513357 1001413396 /nfs/dbraw/zinc/41/33/96/1001413396.db2.gz JVOFVUQOXGAAEV-UHFFFAOYSA-N 1 2 402.498 3.815 20 30 HHEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000498285235 1001755493 /nfs/dbraw/zinc/75/54/93/1001755493.db2.gz LXSNRCPJHMFIKN-LEWJYISDSA-N 1 2 417.937 3.745 20 30 HHEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000498285235 1001755497 /nfs/dbraw/zinc/75/54/97/1001755497.db2.gz LXSNRCPJHMFIKN-LEWJYISDSA-N 1 2 417.937 3.745 20 30 HHEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000507086545 1001798762 /nfs/dbraw/zinc/79/87/62/1001798762.db2.gz HNZPEQGGWIMQLI-UNMCSNQZSA-N 1 2 421.451 3.506 20 30 HHEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000507086545 1001798764 /nfs/dbraw/zinc/79/87/64/1001798764.db2.gz HNZPEQGGWIMQLI-UNMCSNQZSA-N 1 2 421.451 3.506 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccnn3CC3CCCCC3)CC2)cc1 ZINC000507805456 1002356154 /nfs/dbraw/zinc/35/61/54/1002356154.db2.gz JTGAPXLFOGRGSG-UHFFFAOYSA-N 1 2 421.545 3.817 20 30 HHEDLO COCCCn1c(C)cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1C ZINC000507819138 1002365060 /nfs/dbraw/zinc/36/50/60/1002365060.db2.gz RIGRVTORLPMAOT-UHFFFAOYSA-N 1 2 409.530 3.739 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)Cc1cccs1 ZINC000499019754 1002396695 /nfs/dbraw/zinc/39/66/95/1002396695.db2.gz HDRKMQMSQNQXJL-UHFFFAOYSA-N 1 2 415.584 3.564 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)Cc1cccs1 ZINC000499019754 1002396705 /nfs/dbraw/zinc/39/67/05/1002396705.db2.gz HDRKMQMSQNQXJL-UHFFFAOYSA-N 1 2 415.584 3.564 20 30 HHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000508369845 1002867700 /nfs/dbraw/zinc/86/77/00/1002867700.db2.gz MHCQFCWPKUUOHB-UHFFFAOYSA-N 1 2 415.421 3.636 20 30 HHEDLO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508460264 1002945583 /nfs/dbraw/zinc/94/55/83/1002945583.db2.gz AYPJRUZMAYJAFX-KRWDZBQOSA-N 1 2 411.481 3.658 20 30 HHEDLO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508825292 1003248769 /nfs/dbraw/zinc/24/87/69/1003248769.db2.gz JQPDCUDKUGQJDL-QGZVFWFLSA-N 1 2 424.936 3.979 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3csc4ccccc43)CC2)cc1 ZINC000508917054 1003355447 /nfs/dbraw/zinc/35/54/47/1003355447.db2.gz XKMGYLNXMOGQOG-UHFFFAOYSA-N 1 2 411.552 3.670 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3csc4ccccc43)CC2)cc1 ZINC000508917054 1003355452 /nfs/dbraw/zinc/35/54/52/1003355452.db2.gz XKMGYLNXMOGQOG-UHFFFAOYSA-N 1 2 411.552 3.670 20 30 HHEDLO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508947719 1003402187 /nfs/dbraw/zinc/40/21/87/1003402187.db2.gz AOOHBNKDLAWONL-UHFFFAOYSA-N 1 2 410.525 3.930 20 30 HHEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000509399923 1003831921 /nfs/dbraw/zinc/83/19/21/1003831921.db2.gz FEJRYNRXBPVGLG-LJQANCHMSA-N 1 2 424.520 3.653 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000512170478 1004074117 /nfs/dbraw/zinc/07/41/17/1004074117.db2.gz SCOCYVSNXHKTFQ-MRXNPFEDSA-N 1 2 413.543 3.807 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000512170478 1004074128 /nfs/dbraw/zinc/07/41/28/1004074128.db2.gz SCOCYVSNXHKTFQ-MRXNPFEDSA-N 1 2 413.543 3.807 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000512198004 1004099101 /nfs/dbraw/zinc/09/91/01/1004099101.db2.gz RXTAXMWBFGEENG-CQSZACIVSA-N 1 2 407.308 3.940 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000512198004 1004099111 /nfs/dbraw/zinc/09/91/11/1004099111.db2.gz RXTAXMWBFGEENG-CQSZACIVSA-N 1 2 407.308 3.940 20 30 HHEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)n1 ZINC000510417799 1004552014 /nfs/dbraw/zinc/55/20/14/1004552014.db2.gz RICWJDFSXAEGKU-OAHLLOKOSA-N 1 2 413.547 3.622 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)c(F)c1 ZINC000512797523 1004564768 /nfs/dbraw/zinc/56/47/68/1004564768.db2.gz OQAALXNTLZAAPN-UHFFFAOYSA-N 1 2 423.404 3.699 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)c(F)c1 ZINC000512802374 1004567550 /nfs/dbraw/zinc/56/75/50/1004567550.db2.gz SPMNOEMZSZBCTF-UHFFFAOYSA-N 1 2 422.416 3.519 20 30 HHEDLO COc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl ZINC000512818564 1004578393 /nfs/dbraw/zinc/57/83/93/1004578393.db2.gz VOOSMSGWQBNFIF-UHFFFAOYSA-N 1 2 417.868 3.841 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512818424 1004578706 /nfs/dbraw/zinc/57/87/06/1004578706.db2.gz UANLZOWJTAYBND-OAHLLOKOSA-N 1 2 420.435 3.605 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512818424 1004578713 /nfs/dbraw/zinc/57/87/13/1004578713.db2.gz UANLZOWJTAYBND-OAHLLOKOSA-N 1 2 420.435 3.605 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+](C)C(C)(C)C(=O)OC)cc1OCC ZINC000513152082 1004833698 /nfs/dbraw/zinc/83/36/98/1004833698.db2.gz BTZOTTSCDCYEQN-UHFFFAOYSA-N 1 2 400.313 3.796 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+](C)C(C)(C)C(=O)OC)cc1OCC ZINC000513152082 1004833703 /nfs/dbraw/zinc/83/37/03/1004833703.db2.gz BTZOTTSCDCYEQN-UHFFFAOYSA-N 1 2 400.313 3.796 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3OCC)CC2)cc1 ZINC000510858676 1004895415 /nfs/dbraw/zinc/89/54/15/1004895415.db2.gz DCQXTFYFGRLROA-UHFFFAOYSA-N 1 2 408.502 3.705 20 30 HHEDLO CCN(C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000513329561 1004914526 /nfs/dbraw/zinc/91/45/26/1004914526.db2.gz DTFSQDUVFXFCSV-QGZVFWFLSA-N 1 2 407.514 3.543 20 30 HHEDLO CCN(C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)[C@H](C)c1ccc(C#N)cc1 ZINC000513329561 1004914530 /nfs/dbraw/zinc/91/45/30/1004914530.db2.gz DTFSQDUVFXFCSV-QGZVFWFLSA-N 1 2 407.514 3.543 20 30 HHEDLO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502200259 1004954455 /nfs/dbraw/zinc/95/44/55/1004954455.db2.gz XEYWKAJULGZWHC-HNNXBMFYSA-N 1 2 401.470 3.619 20 30 HHEDLO N#Cc1ccc(NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000513536814 1005011421 /nfs/dbraw/zinc/01/14/21/1005011421.db2.gz PFXFSTDCONFOKG-UHFFFAOYSA-N 1 2 414.263 3.845 20 30 HHEDLO N#C[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513582279 1005035445 /nfs/dbraw/zinc/03/54/45/1005035445.db2.gz KWEKGFJYHVDMMQ-HRAATJIYSA-N 1 2 415.415 3.820 20 30 HHEDLO N#C[C@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513582279 1005035448 /nfs/dbraw/zinc/03/54/48/1005035448.db2.gz KWEKGFJYHVDMMQ-HRAATJIYSA-N 1 2 415.415 3.820 20 30 HHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)c1 ZINC000511191767 1005067451 /nfs/dbraw/zinc/06/74/51/1005067451.db2.gz JBIWNNGKZQWBQW-QGZVFWFLSA-N 1 2 407.489 3.643 20 30 HHEDLO N#C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@]12C(=O)Nc1ccccc12 ZINC000513659656 1005070234 /nfs/dbraw/zinc/07/02/34/1005070234.db2.gz GEAGKTLLJKLPSD-QRQCRPRQSA-N 1 2 404.857 3.840 20 30 HHEDLO N#C[C@@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@]12C(=O)Nc1ccccc12 ZINC000513659656 1005070242 /nfs/dbraw/zinc/07/02/42/1005070242.db2.gz GEAGKTLLJKLPSD-QRQCRPRQSA-N 1 2 404.857 3.840 20 30 HHEDLO N#C[C@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@]12C(=O)Nc1ccccc12 ZINC000513659553 1005070486 /nfs/dbraw/zinc/07/04/86/1005070486.db2.gz GEAGKTLLJKLPSD-NYHFZMIOSA-N 1 2 404.857 3.840 20 30 HHEDLO N#C[C@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@]12C(=O)Nc1ccccc12 ZINC000513659553 1005070489 /nfs/dbraw/zinc/07/04/89/1005070489.db2.gz GEAGKTLLJKLPSD-NYHFZMIOSA-N 1 2 404.857 3.840 20 30 HHEDLO C=CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000502639737 1005154105 /nfs/dbraw/zinc/15/41/05/1005154105.db2.gz WYCITCMVMOGYHI-UHFFFAOYSA-N 1 2 419.447 3.791 20 30 HHEDLO C=CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000502639737 1005154109 /nfs/dbraw/zinc/15/41/09/1005154109.db2.gz WYCITCMVMOGYHI-UHFFFAOYSA-N 1 2 419.447 3.791 20 30 HHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)Cc1ccncc1 ZINC000502733910 1005195198 /nfs/dbraw/zinc/19/51/98/1005195198.db2.gz ZJICHZWUPSEOQY-UHFFFAOYSA-N 1 2 401.514 3.881 20 30 HHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)Cc1ccncc1 ZINC000502733910 1005195201 /nfs/dbraw/zinc/19/52/01/1005195201.db2.gz ZJICHZWUPSEOQY-UHFFFAOYSA-N 1 2 401.514 3.881 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503583292 1005458526 /nfs/dbraw/zinc/45/85/26/1005458526.db2.gz ODDJZRPPQHQSMU-GOSISDBHSA-N 1 2 412.509 3.580 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503583292 1005458529 /nfs/dbraw/zinc/45/85/29/1005458529.db2.gz ODDJZRPPQHQSMU-GOSISDBHSA-N 1 2 412.509 3.580 20 30 HHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2)c1 ZINC000531505214 1006237839 /nfs/dbraw/zinc/23/78/39/1006237839.db2.gz RKIGMDGRLJHLPK-HXUWFJFHSA-N 1 2 417.557 3.747 20 30 HHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000515274735 1006373401 /nfs/dbraw/zinc/37/34/01/1006373401.db2.gz XTJRGBAWGGGRLC-UHFFFAOYSA-N 1 2 404.539 3.633 20 30 HHEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)n1 ZINC000538736766 1007018580 /nfs/dbraw/zinc/01/85/80/1007018580.db2.gz BVLKCYZUXGELNM-UHFFFAOYSA-N 1 2 405.527 3.619 20 30 HHEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(SC)cc1OC ZINC000532584358 1007020819 /nfs/dbraw/zinc/02/08/19/1007020819.db2.gz OZBDHAAWRQHWAW-HNNXBMFYSA-N 1 2 405.564 3.589 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(SC)cc1OC ZINC000532584358 1007020830 /nfs/dbraw/zinc/02/08/30/1007020830.db2.gz OZBDHAAWRQHWAW-HNNXBMFYSA-N 1 2 405.564 3.589 20 30 HHEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3ccc4cc(C#N)ccc4n3)CC2)cs1 ZINC000538978479 1007271014 /nfs/dbraw/zinc/27/10/14/1007271014.db2.gz LFTMRLBJEQLREZ-MRXNPFEDSA-N 1 2 407.543 3.983 20 30 HHEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3ccc4cc(C#N)ccc4n3)CC2)cs1 ZINC000538978479 1007271022 /nfs/dbraw/zinc/27/10/22/1007271022.db2.gz LFTMRLBJEQLREZ-MRXNPFEDSA-N 1 2 407.543 3.983 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1cccc(C#N)c1 ZINC000532926225 1007298126 /nfs/dbraw/zinc/29/81/26/1007298126.db2.gz ASCCBTFKYHCHOH-JOCHJYFZSA-N 1 2 419.525 3.927 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1cccc(C#N)c1 ZINC000532926225 1007298136 /nfs/dbraw/zinc/29/81/36/1007298136.db2.gz ASCCBTFKYHCHOH-JOCHJYFZSA-N 1 2 419.525 3.927 20 30 HHEDLO CCC(CC)[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000516822726 1007310837 /nfs/dbraw/zinc/31/08/37/1007310837.db2.gz DXZDCOUIXURSGN-JOCHJYFZSA-N 1 2 408.502 3.821 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000532960485 1007329195 /nfs/dbraw/zinc/32/91/95/1007329195.db2.gz URSLAICGWMAWJA-OAHLLOKOSA-N 1 2 416.953 3.700 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532989462 1007360841 /nfs/dbraw/zinc/36/08/41/1007360841.db2.gz YVVHBRIWTRLSTL-MOPGFXCFSA-N 1 2 423.314 3.729 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532989462 1007360846 /nfs/dbraw/zinc/36/08/46/1007360846.db2.gz YVVHBRIWTRLSTL-MOPGFXCFSA-N 1 2 423.314 3.729 20 30 HHEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539117960 1007406480 /nfs/dbraw/zinc/40/64/80/1007406480.db2.gz QBKXXJJZQITASO-VQTJNVASSA-N 1 2 421.925 3.606 20 30 HHEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539117960 1007406493 /nfs/dbraw/zinc/40/64/93/1007406493.db2.gz QBKXXJJZQITASO-VQTJNVASSA-N 1 2 421.925 3.606 20 30 HHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000539718081 1008036096 /nfs/dbraw/zinc/03/60/96/1008036096.db2.gz DJTOIDKGUQWGRN-UWJYYQICSA-N 1 2 423.565 3.573 20 30 HHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000539718081 1008036142 /nfs/dbraw/zinc/03/61/42/1008036142.db2.gz DJTOIDKGUQWGRN-UWJYYQICSA-N 1 2 423.565 3.573 20 30 HHEDLO COCCn1ccc2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000540003120 1008230859 /nfs/dbraw/zinc/23/08/59/1008230859.db2.gz HOCMZVPIMMSNGK-UHFFFAOYSA-N 1 2 417.513 3.509 20 30 HHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000519040313 1008508411 /nfs/dbraw/zinc/50/84/11/1008508411.db2.gz FTUIQTHHRQRTHD-UHFFFAOYSA-N 1 2 416.872 3.823 20 30 HHEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n[nH]1 ZINC000543176178 1008751090 /nfs/dbraw/zinc/75/10/90/1008751090.db2.gz UXBNSWNZUMJFQR-UHFFFAOYSA-N 1 2 400.486 3.563 20 30 HHEDLO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n[nH]1 ZINC000543176178 1008751099 /nfs/dbraw/zinc/75/10/99/1008751099.db2.gz UXBNSWNZUMJFQR-UHFFFAOYSA-N 1 2 400.486 3.563 20 30 HHEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000543247277 1008816180 /nfs/dbraw/zinc/81/61/80/1008816180.db2.gz VSYJJQVRJGQPNA-UHFFFAOYSA-N 1 2 418.541 3.708 20 30 HHEDLO CCCN(CC(=O)Nc1ccccc1C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000543247277 1008816194 /nfs/dbraw/zinc/81/61/94/1008816194.db2.gz VSYJJQVRJGQPNA-UHFFFAOYSA-N 1 2 418.541 3.708 20 30 HHEDLO C=C1CCN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000519463232 1008839930 /nfs/dbraw/zinc/83/99/30/1008839930.db2.gz KHWMJVGBYRMWHI-UHFFFAOYSA-N 1 2 410.949 3.849 20 30 HHEDLO CCN(C(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000519670459 1008954624 /nfs/dbraw/zinc/95/46/24/1008954624.db2.gz RVZQNFLMQVUPGB-UHFFFAOYSA-N 1 2 408.527 3.669 20 30 HHEDLO CCN(C(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000519670459 1008954633 /nfs/dbraw/zinc/95/46/33/1008954633.db2.gz RVZQNFLMQVUPGB-UHFFFAOYSA-N 1 2 408.527 3.669 20 30 HHEDLO COc1cccc([C@@H]2[C@H](NCc3nnc(-c4cccc(C#N)c4)o3)CC[N@@H+]2C2CC2)c1 ZINC000549470845 1009064599 /nfs/dbraw/zinc/06/45/99/1009064599.db2.gz DXDNPHPLGYBAPV-FYYLOGMGSA-N 1 2 415.497 3.684 20 30 HHEDLO COc1cccc([C@@H]2[C@H](NCc3nnc(-c4cccc(C#N)c4)o3)CC[N@H+]2C2CC2)c1 ZINC000549470845 1009064614 /nfs/dbraw/zinc/06/46/14/1009064614.db2.gz DXDNPHPLGYBAPV-FYYLOGMGSA-N 1 2 415.497 3.684 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)c2nnc3ccccn32)c1C#N ZINC000543519389 1009110449 /nfs/dbraw/zinc/11/04/49/1009110449.db2.gz UUTNRSDNZZQRKP-MRXNPFEDSA-N 1 2 419.533 3.814 20 30 HHEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000520239574 1009359721 /nfs/dbraw/zinc/35/97/21/1009359721.db2.gz LTBHPUGBMLAQRN-INIZCTEOSA-N 1 2 423.492 3.588 20 30 HHEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000520239574 1009359733 /nfs/dbraw/zinc/35/97/33/1009359733.db2.gz LTBHPUGBMLAQRN-INIZCTEOSA-N 1 2 423.492 3.588 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)c(Cl)c1 ZINC000543929742 1009521567 /nfs/dbraw/zinc/52/15/67/1009521567.db2.gz WDSJNBCQUKTDSG-UHFFFAOYSA-N 1 2 402.845 3.894 20 30 HHEDLO N#CC1(NC(=O)C[N@H+]2CC=C(c3cccc(Br)c3)CC2)CCCCC1 ZINC000546586657 1009612360 /nfs/dbraw/zinc/61/23/60/1009612360.db2.gz JYZUBZDALJHKLV-UHFFFAOYSA-N 1 2 402.336 3.881 20 30 HHEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3cccc(Br)c3)CC2)CCCCC1 ZINC000546586657 1009612364 /nfs/dbraw/zinc/61/23/64/1009612364.db2.gz JYZUBZDALJHKLV-UHFFFAOYSA-N 1 2 402.336 3.881 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000550479965 1009969999 /nfs/dbraw/zinc/96/99/99/1009969999.db2.gz FSSGOUZPSCKCML-OFNKIYASSA-N 1 2 417.933 3.890 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000550479965 1009970011 /nfs/dbraw/zinc/97/00/11/1009970011.db2.gz FSSGOUZPSCKCML-OFNKIYASSA-N 1 2 417.933 3.890 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000521089877 1010107211 /nfs/dbraw/zinc/10/72/11/1010107211.db2.gz UBQIRXSYIBHJKD-QFIPXVFZSA-N 1 2 417.509 3.681 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000521089877 1010107243 /nfs/dbraw/zinc/10/72/43/1010107243.db2.gz UBQIRXSYIBHJKD-QFIPXVFZSA-N 1 2 417.509 3.681 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000522093724 1010807479 /nfs/dbraw/zinc/80/74/79/1010807479.db2.gz MRUUBPGNECAYRY-SFHVURJKSA-N 1 2 414.469 3.945 20 30 HHEDLO N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000522641426 1011130961 /nfs/dbraw/zinc/13/09/61/1011130961.db2.gz GRVOIGKPJBAZCC-UHFFFAOYSA-N 1 2 417.465 3.815 20 30 HHEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000536323127 1011519777 /nfs/dbraw/zinc/51/97/77/1011519777.db2.gz CNCRWXBEBGKDFJ-FUHWJXTLSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000536323127 1011519789 /nfs/dbraw/zinc/51/97/89/1011519789.db2.gz CNCRWXBEBGKDFJ-FUHWJXTLSA-N 1 2 410.326 3.589 20 30 HHEDLO CC(C)(CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000536387552 1011596672 /nfs/dbraw/zinc/59/66/72/1011596672.db2.gz XITXCSANVDPKST-UHFFFAOYSA-N 1 2 413.905 3.845 20 30 HHEDLO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541126029 1011783908 /nfs/dbraw/zinc/78/39/08/1011783908.db2.gz VPTUCTRRLYAVNA-DLBZAZTESA-N 1 2 401.935 3.616 20 30 HHEDLO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541126029 1011783925 /nfs/dbraw/zinc/78/39/25/1011783925.db2.gz VPTUCTRRLYAVNA-DLBZAZTESA-N 1 2 401.935 3.616 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000523388699 1011867232 /nfs/dbraw/zinc/86/72/32/1011867232.db2.gz WBDRLEOCWRYRCH-RPWUZVMVSA-N 1 2 402.542 3.797 20 30 HHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1nc(-c2cccc(F)c2)no1 ZINC000541681531 1012515585 /nfs/dbraw/zinc/51/55/85/1012515585.db2.gz GMRQSUBDMSCWHB-CVEARBPZSA-N 1 2 407.449 3.862 20 30 HHEDLO C[C@@H]([NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)N(CCC#N)c1ccccc1 ZINC000541681533 1012516173 /nfs/dbraw/zinc/51/61/73/1012516173.db2.gz GMRQSUBDMSCWHB-HZPDHXFCSA-N 1 2 407.449 3.862 20 30 HHEDLO C[C@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542015376 1012903148 /nfs/dbraw/zinc/90/31/48/1012903148.db2.gz KGEFEYOSFBAPJO-INIZCTEOSA-N 1 2 416.506 3.898 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)n2)c(Cl)c1 ZINC000542033770 1012931455 /nfs/dbraw/zinc/93/14/55/1012931455.db2.gz XHBLAZYAOJYYNZ-UHFFFAOYSA-N 1 2 417.860 3.905 20 30 HHEDLO NC(=NOCc1cc2ccccc2nc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000760437758 1072347362 /nfs/dbraw/zinc/34/73/62/1072347362.db2.gz IFCYRXSUGBIDCZ-UHFFFAOYSA-N 1 2 410.905 3.558 20 30 HHEDLO N#Cc1cc(Br)ccc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000588204658 1072908659 /nfs/dbraw/zinc/90/86/59/1072908659.db2.gz NJIYLFXOBIIFFZ-MRXNPFEDSA-N 1 2 410.109 3.906 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(F)c1C#N)CC2 ZINC001164660684 719351638 /nfs/dbraw/zinc/35/16/38/719351638.db2.gz XEZQMKPCHQSANI-UHFFFAOYSA-N 1 2 416.504 3.787 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(F)c1C#N)CC2 ZINC001164660684 719351643 /nfs/dbraw/zinc/35/16/43/719351643.db2.gz XEZQMKPCHQSANI-UHFFFAOYSA-N 1 2 416.504 3.787 20 30 HHEDLO Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C#N ZINC001164665652 719495200 /nfs/dbraw/zinc/49/52/00/719495200.db2.gz AVKVMQNWYAIWQG-UHFFFAOYSA-N 1 2 414.912 3.926 20 30 HHEDLO Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C#N ZINC001164665652 719495210 /nfs/dbraw/zinc/49/52/10/719495210.db2.gz AVKVMQNWYAIWQG-UHFFFAOYSA-N 1 2 414.912 3.926 20 30 HHEDLO Cc1cccc2nc(Cl)c(C#N)c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c12 ZINC001165011328 721722250 /nfs/dbraw/zinc/72/22/50/721722250.db2.gz OYJVCRCYWDNHDG-UHFFFAOYSA-N 1 2 423.952 3.910 20 30 HHEDLO Cc1cccc2nc(Cl)c(C#N)c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c12 ZINC001165011328 721722255 /nfs/dbraw/zinc/72/22/55/721722255.db2.gz OYJVCRCYWDNHDG-UHFFFAOYSA-N 1 2 423.952 3.910 20 30 HHEDLO Cc1cccc([C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCOCC2)c1 ZINC000301387898 970901192 /nfs/dbraw/zinc/90/11/92/970901192.db2.gz YAPUFNWQIFYCLR-QFIPXVFZSA-N 1 2 417.469 3.809 20 30 HHEDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000303353228 971652541 /nfs/dbraw/zinc/65/25/41/971652541.db2.gz YWFGILYNGVTMHK-AWEZNQCLSA-N 1 2 409.477 3.939 20 30 HHEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000303353228 971652546 /nfs/dbraw/zinc/65/25/46/971652546.db2.gz YWFGILYNGVTMHK-AWEZNQCLSA-N 1 2 409.477 3.939 20 30 HHEDLO Cc1ccc(-c2cnc(CCC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000014043547 962409189 /nfs/dbraw/zinc/40/91/89/962409189.db2.gz OUQJKAQLVCQJEL-UHFFFAOYSA-N 1 2 414.509 3.799 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3c(Cl)cccc3Cl)CC2)cc1 ZINC000017843043 963234303 /nfs/dbraw/zinc/23/43/03/963234303.db2.gz MKRNPPPBPQQJAH-UHFFFAOYSA-N 1 2 404.297 3.588 20 30 HHEDLO COc1ccc(C(=O)C[C@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000542487603 1013434438 /nfs/dbraw/zinc/43/44/38/1013434438.db2.gz BMZSSCMYGMBUEY-IBGZPJMESA-N 1 2 419.525 3.510 20 30 HHEDLO COc1ccc(C(=O)C[C@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000542487603 1013434441 /nfs/dbraw/zinc/43/44/41/1013434441.db2.gz BMZSSCMYGMBUEY-IBGZPJMESA-N 1 2 419.525 3.510 20 30 HHEDLO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCOc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000026599203 964617648 /nfs/dbraw/zinc/61/76/48/964617648.db2.gz QJOUFWATUTYUII-IBGZPJMESA-N 1 2 417.513 3.674 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000053189068 965083108 /nfs/dbraw/zinc/08/31/08/965083108.db2.gz XZAQJDYFQBANPV-UHFFFAOYSA-N 1 2 402.454 3.524 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000028656416 965148350 /nfs/dbraw/zinc/14/83/50/965148350.db2.gz AJRCUMSTYFIEEX-UNMCSNQZSA-N 1 2 411.933 3.921 20 30 HHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc1C ZINC000542613941 1013550047 /nfs/dbraw/zinc/55/00/47/1013550047.db2.gz BBYNUOKRCHGHIV-CVEARBPZSA-N 1 2 414.531 3.614 20 30 HHEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339297 965481462 /nfs/dbraw/zinc/48/14/62/965481462.db2.gz GDCBYQUEQGIWLG-PZJWPPBQSA-N 1 2 418.324 3.830 20 30 HHEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339297 965481473 /nfs/dbraw/zinc/48/14/73/965481473.db2.gz GDCBYQUEQGIWLG-PZJWPPBQSA-N 1 2 418.324 3.830 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)c1C ZINC000029907131 965552540 /nfs/dbraw/zinc/55/25/40/965552540.db2.gz BYGZAZCABOESFO-UHFFFAOYSA-N 1 2 409.530 3.833 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC2)nc1 ZINC000060481765 966164737 /nfs/dbraw/zinc/16/47/37/966164737.db2.gz ROTRTIQEBVNQSY-UHFFFAOYSA-N 1 2 409.578 3.569 20 30 HHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032143378 966194920 /nfs/dbraw/zinc/19/49/20/966194920.db2.gz NOBVYWJQUVLYFY-UHFFFAOYSA-N 1 2 409.405 3.828 20 30 HHEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000036507665 966432028 /nfs/dbraw/zinc/43/20/28/966432028.db2.gz LPZWGKLUNUQVEI-LOSJGSFVSA-N 1 2 421.541 3.706 20 30 HHEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000036507665 966432032 /nfs/dbraw/zinc/43/20/32/966432032.db2.gz LPZWGKLUNUQVEI-LOSJGSFVSA-N 1 2 421.541 3.706 20 30 HHEDLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC000553890446 1013678720 /nfs/dbraw/zinc/67/87/20/1013678720.db2.gz VGNMKGVXIOZDRF-INIZCTEOSA-N 1 2 413.319 3.875 20 30 HHEDLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC000553890446 1013678727 /nfs/dbraw/zinc/67/87/27/1013678727.db2.gz VGNMKGVXIOZDRF-INIZCTEOSA-N 1 2 413.319 3.875 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300325 966806888 /nfs/dbraw/zinc/80/68/88/966806888.db2.gz FTTPVFCJMKDOOF-UHFFFAOYSA-N 1 2 403.461 3.818 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300325 966806890 /nfs/dbraw/zinc/80/68/90/966806890.db2.gz FTTPVFCJMKDOOF-UHFFFAOYSA-N 1 2 403.461 3.818 20 30 HHEDLO CN(C(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)C1(C#N)CCCCC1 ZINC000063512621 966880334 /nfs/dbraw/zinc/88/03/34/966880334.db2.gz JUNMDVBXXWATSH-JOCHJYFZSA-N 1 2 404.514 3.641 20 30 HHEDLO COCC[N@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754242 966947133 /nfs/dbraw/zinc/94/71/33/966947133.db2.gz UNARHYRAVVPZRX-UHFFFAOYSA-N 1 2 420.340 3.972 20 30 HHEDLO COCC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754242 966947137 /nfs/dbraw/zinc/94/71/37/966947137.db2.gz UNARHYRAVVPZRX-UHFFFAOYSA-N 1 2 420.340 3.972 20 30 HHEDLO Cc1cc(Br)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043449209 966971683 /nfs/dbraw/zinc/97/16/83/966971683.db2.gz HUJWNVKODQUZGZ-UHFFFAOYSA-N 1 2 413.319 3.979 20 30 HHEDLO COC(=O)C[C@](C)([NH2+]Cc1ccc(Br)cc1C#N)c1cccc(OC)c1 ZINC000553910266 1013694133 /nfs/dbraw/zinc/69/41/33/1013694133.db2.gz KWNZVEQQNKMTIX-FQEVSTJZSA-N 1 2 417.303 3.897 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(COCC4CC4)c3)CC2)cc1 ZINC000065472245 967485007 /nfs/dbraw/zinc/48/50/07/967485007.db2.gz UOHJJDLQQXQXBB-UHFFFAOYSA-N 1 2 404.514 3.835 20 30 HHEDLO N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccccc1 ZINC000065588610 967536445 /nfs/dbraw/zinc/53/64/45/967536445.db2.gz PCWFCOWWFWAJNB-JOCHJYFZSA-N 1 2 419.529 3.609 20 30 HHEDLO N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1)c1ccccc1 ZINC000065588610 967536455 /nfs/dbraw/zinc/53/64/55/967536455.db2.gz PCWFCOWWFWAJNB-JOCHJYFZSA-N 1 2 419.529 3.609 20 30 HHEDLO C=CCN(CC=C)C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000045965459 967609158 /nfs/dbraw/zinc/60/91/58/967609158.db2.gz CVGRPHMDGBLVCR-UHFFFAOYSA-N 1 2 411.575 3.546 20 30 HHEDLO N#Cc1cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1OCC(F)(F)F ZINC000046033292 967644504 /nfs/dbraw/zinc/64/45/04/967644504.db2.gz CDZNYIHZUOCPAZ-UHFFFAOYSA-N 1 2 419.407 3.685 20 30 HHEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000046040601 967645947 /nfs/dbraw/zinc/64/59/47/967645947.db2.gz RVZRATNQMYATIC-UHFFFAOYSA-N 1 2 402.420 3.604 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000046484583 967821896 /nfs/dbraw/zinc/82/18/96/967821896.db2.gz KYDZLUYYOZZXHP-OXJNMPFZSA-N 1 2 412.921 3.838 20 30 HHEDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530400 967844004 /nfs/dbraw/zinc/84/40/04/967844004.db2.gz WZCRJIHXMSHHOP-UHFFFAOYSA-N 1 2 406.269 3.722 20 30 HHEDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530400 967844019 /nfs/dbraw/zinc/84/40/19/967844019.db2.gz WZCRJIHXMSHHOP-UHFFFAOYSA-N 1 2 406.269 3.722 20 30 HHEDLO CC(C)N(C(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1)c1ccccc1 ZINC000072046988 968957344 /nfs/dbraw/zinc/95/73/44/968957344.db2.gz BCNMFAJXACYWKV-UHFFFAOYSA-N 1 2 418.497 3.739 20 30 HHEDLO C=CCOc1ccc(/C=C/C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000098078026 969192235 /nfs/dbraw/zinc/19/22/35/969192235.db2.gz LCVUUIHOCOWHAO-YRNVUSSQSA-N 1 2 408.498 3.744 20 30 HHEDLO C=CCOc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000110878271 969733231 /nfs/dbraw/zinc/73/32/31/969733231.db2.gz RSDLXDQQKZMQDC-HXUWFJFHSA-N 1 2 424.541 3.623 20 30 HHEDLO N#Cc1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)nc2ccccc12 ZINC000554775763 1014044856 /nfs/dbraw/zinc/04/48/56/1014044856.db2.gz MZFVHOLSPLCSPO-UHFFFAOYSA-N 1 2 410.437 3.584 20 30 HHEDLO COc1ccc2ccccc2c1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000410196117 973691217 /nfs/dbraw/zinc/69/12/17/973691217.db2.gz PDIHRVQUMJFZGN-UHFFFAOYSA-N 1 2 414.509 3.747 20 30 HHEDLO N#Cc1cccc(NCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000425959575 974064180 /nfs/dbraw/zinc/06/41/80/974064180.db2.gz SQEDPQBMPOPCSQ-UHFFFAOYSA-N 1 2 403.511 3.624 20 30 HHEDLO N#Cc1cccc(NCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000425959575 974064191 /nfs/dbraw/zinc/06/41/91/974064191.db2.gz SQEDPQBMPOPCSQ-UHFFFAOYSA-N 1 2 403.511 3.624 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426184431 974294725 /nfs/dbraw/zinc/29/47/25/974294725.db2.gz USIPBRGCOWUWST-HOTGVXAUSA-N 1 2 403.548 3.683 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426184431 974294737 /nfs/dbraw/zinc/29/47/37/974294737.db2.gz USIPBRGCOWUWST-HOTGVXAUSA-N 1 2 403.548 3.683 20 30 HHEDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000426808108 974675526 /nfs/dbraw/zinc/67/55/26/974675526.db2.gz KSKTYDZLRYQFLO-HNNXBMFYSA-N 1 2 403.935 3.945 20 30 HHEDLO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000426808108 974675530 /nfs/dbraw/zinc/67/55/30/974675530.db2.gz KSKTYDZLRYQFLO-HNNXBMFYSA-N 1 2 403.935 3.945 20 30 HHEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428930807 976231877 /nfs/dbraw/zinc/23/18/77/976231877.db2.gz NDFBVHCYYGAJAP-JJXUHFIVSA-N 1 2 420.431 3.779 20 30 HHEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428930807 976231884 /nfs/dbraw/zinc/23/18/84/976231884.db2.gz NDFBVHCYYGAJAP-JJXUHFIVSA-N 1 2 420.431 3.779 20 30 HHEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cccc2c(Br)cccc12 ZINC000429047003 976333684 /nfs/dbraw/zinc/33/36/84/976333684.db2.gz NYPSILBSAGCGQN-UHFFFAOYSA-N 1 2 402.336 3.650 20 30 HHEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cccc2c(Br)cccc12 ZINC000429047003 976333698 /nfs/dbraw/zinc/33/36/98/976333698.db2.gz NYPSILBSAGCGQN-UHFFFAOYSA-N 1 2 402.336 3.650 20 30 HHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc2c(Br)cccc12 ZINC000429047003 976333703 /nfs/dbraw/zinc/33/37/03/976333703.db2.gz NYPSILBSAGCGQN-UHFFFAOYSA-N 1 2 402.336 3.650 20 30 HHEDLO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2F)c1 ZINC000429426100 976703654 /nfs/dbraw/zinc/70/36/54/976703654.db2.gz MTCNIEHAWBUUHA-GOSISDBHSA-N 1 2 405.433 3.609 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000430270288 977434666 /nfs/dbraw/zinc/43/46/66/977434666.db2.gz UTVQTCZZRDBBLE-CIEVZJJWSA-N 1 2 413.562 3.597 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000430270288 977434667 /nfs/dbraw/zinc/43/46/67/977434667.db2.gz UTVQTCZZRDBBLE-CIEVZJJWSA-N 1 2 413.562 3.597 20 30 HHEDLO CCn1ccnc1[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(I)cc1 ZINC000430738907 977719190 /nfs/dbraw/zinc/71/91/90/977719190.db2.gz GVDAOSBQIIPQRD-MRXNPFEDSA-N 1 2 420.298 3.880 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)cc1 ZINC000431107737 978023300 /nfs/dbraw/zinc/02/33/00/978023300.db2.gz LWZCOZMFJCAZBC-UHFFFAOYSA-N 1 2 401.470 3.927 20 30 HHEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)oc1C ZINC000433193139 979132731 /nfs/dbraw/zinc/13/27/31/979132731.db2.gz OZLVNKNZBXRYJO-IFXJQAMLSA-N 1 2 401.894 3.972 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C#N)CCc3ccccc3)CCCC2)no1 ZINC000433301663 979224397 /nfs/dbraw/zinc/22/43/97/979224397.db2.gz HBHYTFDLQXZYJV-LJQANCHMSA-N 1 2 409.534 3.569 20 30 HHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302932 979225265 /nfs/dbraw/zinc/22/52/65/979225265.db2.gz ZDXWNTSHWARDHD-QGZVFWFLSA-N 1 2 405.889 3.825 20 30 HHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433302932 979225272 /nfs/dbraw/zinc/22/52/72/979225272.db2.gz ZDXWNTSHWARDHD-QGZVFWFLSA-N 1 2 405.889 3.825 20 30 HHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000433734165 979530260 /nfs/dbraw/zinc/53/02/60/979530260.db2.gz WWRDOOKNPWSACE-DNVCBOLYSA-N 1 2 414.962 3.757 20 30 HHEDLO COc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000433961544 979718825 /nfs/dbraw/zinc/71/88/25/979718825.db2.gz UWKVJRMWGVISDT-OAHLLOKOSA-N 1 2 420.332 3.628 20 30 HHEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000433961544 979718829 /nfs/dbraw/zinc/71/88/29/979718829.db2.gz UWKVJRMWGVISDT-OAHLLOKOSA-N 1 2 420.332 3.628 20 30 HHEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c1 ZINC000434790592 980400376 /nfs/dbraw/zinc/40/03/76/980400376.db2.gz WQIQRKPSFITHGQ-UHFFFAOYSA-N 1 2 405.523 4.000 20 30 HHEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434831581 980429666 /nfs/dbraw/zinc/42/96/66/980429666.db2.gz AEABEYGTKJBHQI-UHFFFAOYSA-N 1 2 402.502 3.546 20 30 HHEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434831581 980429669 /nfs/dbraw/zinc/42/96/69/980429669.db2.gz AEABEYGTKJBHQI-UHFFFAOYSA-N 1 2 402.502 3.546 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000435058412 980603261 /nfs/dbraw/zinc/60/32/61/980603261.db2.gz SSJJXVGRCZIDAH-QFIPXVFZSA-N 1 2 406.461 3.866 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000435058412 980603264 /nfs/dbraw/zinc/60/32/64/980603264.db2.gz SSJJXVGRCZIDAH-QFIPXVFZSA-N 1 2 406.461 3.866 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000436352861 981319339 /nfs/dbraw/zinc/31/93/39/981319339.db2.gz JVLURSAZEOYDPJ-RBUKOAKNSA-N 1 2 401.426 3.692 20 30 HHEDLO Cc1cc(Br)cn2c(CN3CCC[C@]4(CCCCO4)[C@H]3C#N)c[nH+]c12 ZINC000448269812 981664440 /nfs/dbraw/zinc/66/44/40/981664440.db2.gz BRYVTSCWQSAXIE-IEBWSBKVSA-N 1 2 403.324 3.833 20 30 HHEDLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000437146863 981796402 /nfs/dbraw/zinc/79/64/02/981796402.db2.gz QSGDKZCUUQCOTM-UQBPGWFLSA-N 1 2 409.493 3.695 20 30 HHEDLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000437146863 981796405 /nfs/dbraw/zinc/79/64/05/981796405.db2.gz QSGDKZCUUQCOTM-UQBPGWFLSA-N 1 2 409.493 3.695 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2ccc(C#N)cc2)n1CC ZINC000460210344 981985679 /nfs/dbraw/zinc/98/56/79/981985679.db2.gz JZZPNFVQMRQTHA-UHFFFAOYSA-N 1 2 415.545 3.975 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437596392 982218810 /nfs/dbraw/zinc/21/88/10/982218810.db2.gz XQZCKQKBYMRMOA-UHFFFAOYSA-N 1 2 406.471 3.580 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000437779218 982351477 /nfs/dbraw/zinc/35/14/77/982351477.db2.gz BJYXJDZTZWZXGK-IQCLKLAJSA-N 1 2 411.468 3.520 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000437779218 982351489 /nfs/dbraw/zinc/35/14/89/982351489.db2.gz BJYXJDZTZWZXGK-IQCLKLAJSA-N 1 2 411.468 3.520 20 30 HHEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000460805007 982558265 /nfs/dbraw/zinc/55/82/65/982558265.db2.gz PNMUDCRVOSFWPN-FQEVSTJZSA-N 1 2 419.577 3.876 20 30 HHEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460947142 982682441 /nfs/dbraw/zinc/68/24/41/982682441.db2.gz FBFYJULYHFFNLC-UHFFFAOYSA-N 1 2 405.550 3.987 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000440930402 983984778 /nfs/dbraw/zinc/98/47/78/983984778.db2.gz RBBJOADTNHAYEL-OALUTQOASA-N 1 2 406.530 3.934 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000440930402 983984780 /nfs/dbraw/zinc/98/47/80/983984780.db2.gz RBBJOADTNHAYEL-OALUTQOASA-N 1 2 406.530 3.934 20 30 HHEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)Cc2ccccc21 ZINC000441130911 984082853 /nfs/dbraw/zinc/08/28/53/984082853.db2.gz ATBIUQJCTXPCBZ-JOCHJYFZSA-N 1 2 419.525 3.713 20 30 HHEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)Cc2ccccc21 ZINC000441130911 984082863 /nfs/dbraw/zinc/08/28/63/984082863.db2.gz ATBIUQJCTXPCBZ-JOCHJYFZSA-N 1 2 419.525 3.713 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441801127 984463227 /nfs/dbraw/zinc/46/32/27/984463227.db2.gz LVEBIGREFYMJAT-HXUWFJFHSA-N 1 2 421.888 3.521 20 30 HHEDLO COc1ccc([C@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccc2OC)cc1 ZINC000443464192 985638628 /nfs/dbraw/zinc/63/86/28/985638628.db2.gz VFRLEBXPVWPFJL-VWLOTQADSA-N 1 2 415.493 3.571 20 30 HHEDLO C=CCN(CC=C)C(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000463260504 986228457 /nfs/dbraw/zinc/22/84/57/986228457.db2.gz QZXOJFFIUPPSIR-UHFFFAOYSA-N 1 2 410.949 3.871 20 30 HHEDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000468534504 986240460 /nfs/dbraw/zinc/24/04/60/986240460.db2.gz BVSVFYRGZPMTTG-SFHVURJKSA-N 1 2 406.559 3.799 20 30 HHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444170299 986346250 /nfs/dbraw/zinc/34/62/50/986346250.db2.gz MTKMKXHRVBEUSA-IERDGZPVSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444170299 986346258 /nfs/dbraw/zinc/34/62/58/986346258.db2.gz MTKMKXHRVBEUSA-IERDGZPVSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000444172109 986348300 /nfs/dbraw/zinc/34/83/00/986348300.db2.gz ZQFBXEQQIUPGQI-VGOFRKELSA-N 1 2 408.933 3.696 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463415251 986385127 /nfs/dbraw/zinc/38/51/27/986385127.db2.gz QGZHDQLCFZNTBD-KRWDZBQOSA-N 1 2 405.498 3.583 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463415251 986385139 /nfs/dbraw/zinc/38/51/39/986385139.db2.gz QGZHDQLCFZNTBD-KRWDZBQOSA-N 1 2 405.498 3.583 20 30 HHEDLO O=C(C[N@H+]1CC[C@H](c2c(F)cccc2F)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469460013 987145071 /nfs/dbraw/zinc/14/50/71/987145071.db2.gz ATLHZVVBLDZZGV-INIZCTEOSA-N 1 2 422.397 3.941 20 30 HHEDLO O=C(C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469460013 987145075 /nfs/dbraw/zinc/14/50/75/987145075.db2.gz ATLHZVVBLDZZGV-INIZCTEOSA-N 1 2 422.397 3.941 20 30 HHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000469995537 987611484 /nfs/dbraw/zinc/61/14/84/987611484.db2.gz BNTOPUMKRRUQOT-UHFFFAOYSA-N 1 2 400.482 3.942 20 30 HHEDLO N#Cc1ccc(Oc2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc2)nc1 ZINC000445823415 987890933 /nfs/dbraw/zinc/89/09/33/987890933.db2.gz DYVJKBHCIJRYIK-IEBWSBKVSA-N 1 2 403.442 3.721 20 30 HHEDLO N#Cc1ccc(Oc2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cc2)nc1 ZINC000445823415 987890940 /nfs/dbraw/zinc/89/09/40/987890940.db2.gz DYVJKBHCIJRYIK-IEBWSBKVSA-N 1 2 403.442 3.721 20 30 HHEDLO Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000470042018 987928596 /nfs/dbraw/zinc/92/85/96/987928596.db2.gz CXXJBIMIEJLQMI-BJKOFHAPSA-N 1 2 418.541 3.614 20 30 HHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000470309134 988266700 /nfs/dbraw/zinc/26/67/00/988266700.db2.gz RBKFLKQMUXSMQD-OAQYLSRUSA-N 1 2 400.482 3.891 20 30 HHEDLO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2Cl)c(C)c1 ZINC000470530152 988532358 /nfs/dbraw/zinc/53/23/58/988532358.db2.gz HDZDZOAZDOSHMU-HSZRJFAPSA-N 1 2 424.932 3.992 20 30 HHEDLO C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000470537532 988543149 /nfs/dbraw/zinc/54/31/49/988543149.db2.gz LRYMPHPHHIMCGK-DYESRHJHSA-N 1 2 420.517 3.581 20 30 HHEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000464727328 988945851 /nfs/dbraw/zinc/94/58/51/988945851.db2.gz VLHRYPRTFITVDZ-KKSFZXQISA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000464727328 988945857 /nfs/dbraw/zinc/94/58/57/988945857.db2.gz VLHRYPRTFITVDZ-KKSFZXQISA-N 1 2 403.461 3.905 20 30 HHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000471007798 989075896 /nfs/dbraw/zinc/07/58/96/989075896.db2.gz RSIJLBUMARKMFM-LJQANCHMSA-N 1 2 400.866 3.509 20 30 HHEDLO C=CCc1ccc(OCC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000464975334 989276446 /nfs/dbraw/zinc/27/64/46/989276446.db2.gz BZQXARWABHNPJX-UHFFFAOYSA-N 1 2 423.557 3.963 20 30 HHEDLO Cc1nn(C)c(N2CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)c1C#N ZINC000471817865 989998853 /nfs/dbraw/zinc/99/88/53/989998853.db2.gz XFJJQFNDKDWUHX-UHFFFAOYSA-N 1 2 418.328 3.505 20 30 HHEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccccc3OCc3ccccc3)CC2)c1C#N ZINC000471818272 989998980 /nfs/dbraw/zinc/99/89/80/989998980.db2.gz ZFFVBSOCXJPJTM-UHFFFAOYSA-N 1 2 401.514 3.501 20 30 HHEDLO Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000466728599 992039189 /nfs/dbraw/zinc/03/91/89/992039189.db2.gz OZZIWSYHGGWDMY-UHFFFAOYSA-N 1 2 423.648 3.554 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472308932 993320720 /nfs/dbraw/zinc/32/07/20/993320720.db2.gz BVYCLRQZWRGWOS-OXQOHEQNSA-N 1 2 418.419 3.941 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472308932 993320726 /nfs/dbraw/zinc/32/07/26/993320726.db2.gz BVYCLRQZWRGWOS-OXQOHEQNSA-N 1 2 418.419 3.941 20 30 HHEDLO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472312065 993323797 /nfs/dbraw/zinc/32/37/97/993323797.db2.gz JBOPMOCJTLIUFA-LPHOPBHVSA-N 1 2 402.857 3.926 20 30 HHEDLO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472312065 993323805 /nfs/dbraw/zinc/32/38/05/993323805.db2.gz JBOPMOCJTLIUFA-LPHOPBHVSA-N 1 2 402.857 3.926 20 30 HHEDLO COCCCC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000472459438 993461650 /nfs/dbraw/zinc/46/16/50/993461650.db2.gz ZWMCHUMNUIESIC-XMMPIXPASA-N 1 2 420.557 3.943 20 30 HHEDLO Cc1ccccc1Cc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)o1 ZINC000472747362 993681033 /nfs/dbraw/zinc/68/10/33/993681033.db2.gz GYCWOJJJQHHUCT-UHFFFAOYSA-N 1 2 415.497 3.691 20 30 HHEDLO CC(C)(C)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1Br ZINC000474161579 995145585 /nfs/dbraw/zinc/14/55/85/995145585.db2.gz VVPYCHOBQDCWHX-UHFFFAOYSA-N 1 2 405.340 3.706 20 30 HHEDLO CC(C)(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1Br ZINC000474161579 995145589 /nfs/dbraw/zinc/14/55/89/995145589.db2.gz VVPYCHOBQDCWHX-UHFFFAOYSA-N 1 2 405.340 3.706 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000483247127 996058887 /nfs/dbraw/zinc/05/88/87/996058887.db2.gz WBFGUCKPEBFGCH-IBGZPJMESA-N 1 2 414.509 3.966 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)cc1OC ZINC000475361820 996090784 /nfs/dbraw/zinc/09/07/84/996090784.db2.gz KOQLZPIIPAGULV-DZGCQCFKSA-N 1 2 412.324 3.654 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)cc1OC ZINC000475361820 996090787 /nfs/dbraw/zinc/09/07/87/996090787.db2.gz KOQLZPIIPAGULV-DZGCQCFKSA-N 1 2 412.324 3.654 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 ZINC000475387440 996106250 /nfs/dbraw/zinc/10/62/50/996106250.db2.gz MLBBHCQIDWHZPO-UHFFFAOYSA-N 1 2 420.513 3.708 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000476228620 996691211 /nfs/dbraw/zinc/69/12/11/996691211.db2.gz IEAFVMPWOCVGOR-UHFFFAOYSA-N 1 2 419.529 3.611 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000476530460 997019453 /nfs/dbraw/zinc/01/94/53/997019453.db2.gz FFFYTCDKRMANEL-LEWJYISDSA-N 1 2 411.933 3.943 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000476530460 997019461 /nfs/dbraw/zinc/01/94/61/997019461.db2.gz FFFYTCDKRMANEL-LEWJYISDSA-N 1 2 411.933 3.943 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000484993425 997354951 /nfs/dbraw/zinc/35/49/51/997354951.db2.gz NKKOPAJOQZOPTK-HXUWFJFHSA-N 1 2 401.432 3.939 20 30 HHEDLO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)cc1F ZINC000485299462 997703418 /nfs/dbraw/zinc/70/34/18/997703418.db2.gz GIFCBMVTABRBBQ-MGPUTAFESA-N 1 2 419.460 3.902 20 30 HHEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)ccc1F ZINC000485306388 997714429 /nfs/dbraw/zinc/71/44/29/997714429.db2.gz VJTWROSNGKJYRE-QRWLVFNGSA-N 1 2 419.460 3.902 20 30 HHEDLO C=C(C)[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000477737799 998474271 /nfs/dbraw/zinc/47/42/71/998474271.db2.gz GOPWFTIHOLLRQH-QFIPXVFZSA-N 1 2 410.468 3.981 20 30 HHEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000486309636 998706227 /nfs/dbraw/zinc/70/62/27/998706227.db2.gz RYAFTJUHSVQZLN-OAHLLOKOSA-N 1 2 412.559 3.801 20 30 HHEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000486309636 998706234 /nfs/dbraw/zinc/70/62/34/998706234.db2.gz RYAFTJUHSVQZLN-OAHLLOKOSA-N 1 2 412.559 3.801 20 30 HHEDLO C[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000487373272 999151148 /nfs/dbraw/zinc/15/11/48/999151148.db2.gz OYIZHJDTBPJAOQ-XXBNENTESA-N 1 2 408.521 3.888 20 30 HHEDLO N#Cc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1Br ZINC000487965327 999329844 /nfs/dbraw/zinc/32/98/44/999329844.db2.gz DTKXXBJQBMRRRP-UHFFFAOYSA-N 1 2 410.275 3.887 20 30 HHEDLO Cc1nc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)ccc1C#N ZINC000488088946 999372729 /nfs/dbraw/zinc/37/27/29/999372729.db2.gz YPKRXVGSTZLLRT-UHFFFAOYSA-N 1 2 402.477 3.735 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479774891 999585379 /nfs/dbraw/zinc/58/53/79/999585379.db2.gz CGYUPDARTQYOKI-FPOVZHCZSA-N 1 2 401.457 3.774 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479774891 999585383 /nfs/dbraw/zinc/58/53/83/999585383.db2.gz CGYUPDARTQYOKI-FPOVZHCZSA-N 1 2 401.457 3.774 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488978782 999662998 /nfs/dbraw/zinc/66/29/98/999662998.db2.gz JWCZXTHBFBGIIA-APWZRJJASA-N 1 2 414.456 3.538 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488978782 999663000 /nfs/dbraw/zinc/66/30/00/999663000.db2.gz JWCZXTHBFBGIIA-APWZRJJASA-N 1 2 414.456 3.538 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000489109245 999701797 /nfs/dbraw/zinc/70/17/97/999701797.db2.gz KHFIQJZSMHZXJM-QGZVFWFLSA-N 1 2 415.584 3.547 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000489109245 999701801 /nfs/dbraw/zinc/70/18/01/999701801.db2.gz KHFIQJZSMHZXJM-QGZVFWFLSA-N 1 2 415.584 3.547 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)no1 ZINC000480232520 999752110 /nfs/dbraw/zinc/75/21/10/999752110.db2.gz UEFXUEUYJAVGDW-IBGZPJMESA-N 1 2 404.518 3.906 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)no1 ZINC000480232520 999752114 /nfs/dbraw/zinc/75/21/14/999752114.db2.gz UEFXUEUYJAVGDW-IBGZPJMESA-N 1 2 404.518 3.906 20 30 HHEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000489974847 999871518 /nfs/dbraw/zinc/87/15/18/999871518.db2.gz BJKMUCXUSQKRQG-OAHLLOKOSA-N 1 2 407.430 3.906 20 30 HHEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4ncc(C(F)(F)F)[nH]4)CC3)C2=O)cc1 ZINC000490043561 999883719 /nfs/dbraw/zinc/88/37/19/999883719.db2.gz YTCWKOFYFOBSGC-KRWDZBQOSA-N 1 2 417.435 3.675 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1C#N ZINC000494051163 1000284476 /nfs/dbraw/zinc/28/44/76/1000284476.db2.gz UDWLAFBITWRNKZ-UHFFFAOYSA-N 1 2 407.518 3.579 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)c1C#N ZINC000494051163 1000284479 /nfs/dbraw/zinc/28/44/79/1000284479.db2.gz UDWLAFBITWRNKZ-UHFFFAOYSA-N 1 2 407.518 3.579 20 30 HHEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1Cl ZINC000494407059 1000477416 /nfs/dbraw/zinc/47/74/16/1000477416.db2.gz RDTTZPLAAUYIHX-TZIWHRDSSA-N 1 2 424.932 3.980 20 30 HHEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1Cl ZINC000494407059 1000477419 /nfs/dbraw/zinc/47/74/19/1000477419.db2.gz RDTTZPLAAUYIHX-TZIWHRDSSA-N 1 2 424.932 3.980 20 30 HHEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494829587 1000682106 /nfs/dbraw/zinc/68/21/06/1000682106.db2.gz OUBAFFSGJLEGRJ-IRXDYDNUSA-N 1 2 410.518 3.642 20 30 HHEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494829587 1000682110 /nfs/dbraw/zinc/68/21/10/1000682110.db2.gz OUBAFFSGJLEGRJ-IRXDYDNUSA-N 1 2 410.518 3.642 20 30 HHEDLO N#Cc1cccc(F)c1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000505325559 1000702838 /nfs/dbraw/zinc/70/28/38/1000702838.db2.gz IULAMLFQWJSYGJ-LJQANCHMSA-N 1 2 403.860 3.986 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(C(=O)N4CCCCC4)cc3Cl)CC2)cc1 ZINC000505770663 1001015140 /nfs/dbraw/zinc/01/51/40/1001015140.db2.gz CRCUXKBJOUWLAO-UHFFFAOYSA-N 1 2 423.948 3.555 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1OCc1cccs1 ZINC000506260673 1001313698 /nfs/dbraw/zinc/31/36/98/1001313698.db2.gz YTELUMCMFAYYTH-UHFFFAOYSA-N 1 2 420.538 3.925 20 30 HHEDLO Cc1cc(CN2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)on1 ZINC000506311248 1001345721 /nfs/dbraw/zinc/34/57/21/1001345721.db2.gz VQEPFBDBAKDPAR-UHFFFAOYSA-N 1 2 402.498 3.752 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000506891274 1001582734 /nfs/dbraw/zinc/58/27/34/1001582734.db2.gz DVNUDIFTXRFMLF-SFHVURJKSA-N 1 2 422.529 3.519 20 30 HHEDLO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000497977323 1001587946 /nfs/dbraw/zinc/58/79/46/1001587946.db2.gz ZAJBXQCDGVBGBD-AEFFLSMTSA-N 1 2 406.502 3.973 20 30 HHEDLO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000497977323 1001587951 /nfs/dbraw/zinc/58/79/51/1001587951.db2.gz ZAJBXQCDGVBGBD-AEFFLSMTSA-N 1 2 406.502 3.973 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507081851 1001796128 /nfs/dbraw/zinc/79/61/28/1001796128.db2.gz BQJRNAONFZUEFJ-CDXJDZJCSA-N 1 2 423.916 3.602 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507081851 1001796132 /nfs/dbraw/zinc/79/61/32/1001796132.db2.gz BQJRNAONFZUEFJ-CDXJDZJCSA-N 1 2 423.916 3.602 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c(C#N)c1C ZINC000507291089 1001974832 /nfs/dbraw/zinc/97/48/32/1001974832.db2.gz HEWZGGAMQXTGIF-CQSZACIVSA-N 1 2 412.465 3.585 20 30 HHEDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)s1 ZINC000507447175 1002075833 /nfs/dbraw/zinc/07/58/33/1002075833.db2.gz HDSNEGIQHOHGLO-BXUZGUMPSA-N 1 2 405.321 3.623 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498861045 1002245551 /nfs/dbraw/zinc/24/55/51/1002245551.db2.gz JDDIBHIAXVEECZ-WOJBJXKFSA-N 1 2 415.946 3.757 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498861045 1002245562 /nfs/dbraw/zinc/24/55/62/1002245562.db2.gz JDDIBHIAXVEECZ-WOJBJXKFSA-N 1 2 415.946 3.757 20 30 HHEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+]C2(c3noc(C)n3)CCCCCC2)c(OC)c1 ZINC000507711917 1002302153 /nfs/dbraw/zinc/30/21/53/1002302153.db2.gz WZTCYBSDCLPBFU-IBGZPJMESA-N 1 2 415.534 3.694 20 30 HHEDLO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000499078520 1002464655 /nfs/dbraw/zinc/46/46/55/1002464655.db2.gz UHRLPMWFGBDVMV-JHVJFLLYSA-N 1 2 412.921 3.644 20 30 HHEDLO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000499078520 1002464663 /nfs/dbraw/zinc/46/46/63/1002464663.db2.gz UHRLPMWFGBDVMV-JHVJFLLYSA-N 1 2 412.921 3.644 20 30 HHEDLO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508460266 1002945015 /nfs/dbraw/zinc/94/50/15/1002945015.db2.gz AYPJRUZMAYJAFX-QGZVFWFLSA-N 1 2 411.481 3.658 20 30 HHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000508684056 1003121797 /nfs/dbraw/zinc/12/17/97/1003121797.db2.gz UHKIHBZXGAEQSL-NRFANRHFSA-N 1 2 422.483 3.905 20 30 HHEDLO C=CCn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000508750527 1003185589 /nfs/dbraw/zinc/18/55/89/1003185589.db2.gz ZRGLWGUFVHGTOP-UHFFFAOYSA-N 1 2 422.577 3.551 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(Cl)cc2)C1 ZINC000499934157 1003256687 /nfs/dbraw/zinc/25/66/87/1003256687.db2.gz VTCUIDGSVAMWOL-MOPGFXCFSA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(Cl)cc2)C1 ZINC000499934157 1003256697 /nfs/dbraw/zinc/25/66/97/1003256697.db2.gz VTCUIDGSVAMWOL-MOPGFXCFSA-N 1 2 402.857 3.544 20 30 HHEDLO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000508849197 1003269556 /nfs/dbraw/zinc/26/95/56/1003269556.db2.gz PQXDSJSEMPWXQE-JOCHJYFZSA-N 1 2 419.504 3.602 20 30 HHEDLO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000509010065 1003481370 /nfs/dbraw/zinc/48/13/70/1003481370.db2.gz HBIVLUCUQZMIFG-VXKWHMMOSA-N 1 2 419.529 3.625 20 30 HHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000500120957 1003483250 /nfs/dbraw/zinc/48/32/50/1003483250.db2.gz DZBNUGJAOVBHDR-SFHVURJKSA-N 1 2 421.394 3.944 20 30 HHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500127695 1003488934 /nfs/dbraw/zinc/48/89/34/1003488934.db2.gz WRMVBJRCYIRZFJ-GOSISDBHSA-N 1 2 415.431 3.900 20 30 HHEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000509097858 1003550392 /nfs/dbraw/zinc/55/03/92/1003550392.db2.gz ODKOHIJHOSMMOL-UHFFFAOYSA-N 1 2 404.297 3.702 20 30 HHEDLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000500599457 1003813697 /nfs/dbraw/zinc/81/36/97/1003813697.db2.gz JOEXPXZNPWYQJT-LJQANCHMSA-N 1 2 417.557 3.624 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000511850189 1003828904 /nfs/dbraw/zinc/82/89/04/1003828904.db2.gz NTZBSNHPBLKYKP-CTNGQTDRSA-N 1 2 419.422 3.729 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000511850189 1003828927 /nfs/dbraw/zinc/82/89/27/1003828927.db2.gz NTZBSNHPBLKYKP-CTNGQTDRSA-N 1 2 419.422 3.729 20 30 HHEDLO C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000509399919 1003831091 /nfs/dbraw/zinc/83/10/91/1003831091.db2.gz FEJRYNRXBPVGLG-IBGZPJMESA-N 1 2 424.520 3.653 20 30 HHEDLO C[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1cccc(C#N)c1 ZINC000509575230 1003954715 /nfs/dbraw/zinc/95/47/15/1003954715.db2.gz NCSHKKLTODHPRP-UHFFFAOYSA-N 1 2 404.495 3.943 20 30 HHEDLO C[N@@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1cccc(C#N)c1 ZINC000509575230 1003954724 /nfs/dbraw/zinc/95/47/24/1003954724.db2.gz NCSHKKLTODHPRP-UHFFFAOYSA-N 1 2 404.495 3.943 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(OCc4ccccc4C#N)cc3)n2)C1 ZINC000500869923 1004016480 /nfs/dbraw/zinc/01/64/80/1004016480.db2.gz SESUOMCZXQVHNH-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(OCc4ccccc4C#N)cc3)n2)C1 ZINC000500869923 1004016487 /nfs/dbraw/zinc/01/64/87/1004016487.db2.gz SESUOMCZXQVHNH-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(OCc4ccccc4C#N)c3)n2)C1 ZINC000500890548 1004031460 /nfs/dbraw/zinc/03/14/60/1004031460.db2.gz MXYAPFRIIRBYCN-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(OCc4ccccc4C#N)c3)n2)C1 ZINC000500890548 1004031468 /nfs/dbraw/zinc/03/14/68/1004031468.db2.gz MXYAPFRIIRBYCN-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO CCc1noc(C)c1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501047984 1004149386 /nfs/dbraw/zinc/14/93/86/1004149386.db2.gz GAQDLOQHSYPHHW-IBGZPJMESA-N 1 2 403.324 3.690 20 30 HHEDLO C=C(CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccccc1 ZINC000510013244 1004265404 /nfs/dbraw/zinc/26/54/04/1004265404.db2.gz KBYWAKFIQKZING-UHFFFAOYSA-N 1 2 400.482 3.655 20 30 HHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000512411007 1004279413 /nfs/dbraw/zinc/27/94/13/1004279413.db2.gz VZSHXDLCJJXAFE-UHFFFAOYSA-N 1 2 415.497 3.836 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000512566377 1004389626 /nfs/dbraw/zinc/38/96/26/1004389626.db2.gz WUMHNTDCOBLWQR-QFIPXVFZSA-N 1 2 412.534 3.665 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000512566377 1004389639 /nfs/dbraw/zinc/38/96/39/1004389639.db2.gz WUMHNTDCOBLWQR-QFIPXVFZSA-N 1 2 412.534 3.665 20 30 HHEDLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818473 1004578549 /nfs/dbraw/zinc/57/85/49/1004578549.db2.gz UNYQOCIBXASROS-MRXNPFEDSA-N 1 2 411.477 3.966 20 30 HHEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818372 1004578571 /nfs/dbraw/zinc/57/85/71/1004578571.db2.gz SRHMVDREGUVCIO-MRXNPFEDSA-N 1 2 411.477 3.885 20 30 HHEDLO CCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2c(n1)onc2C(C)C ZINC000512928770 1004702352 /nfs/dbraw/zinc/70/23/52/1004702352.db2.gz LBESKNLCJMXHNL-UHFFFAOYSA-N 1 2 417.513 3.738 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000510646316 1004776443 /nfs/dbraw/zinc/77/64/43/1004776443.db2.gz PQCVEHOIWRYTFN-UHFFFAOYSA-N 1 2 420.557 3.889 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000510646316 1004776448 /nfs/dbraw/zinc/77/64/48/1004776448.db2.gz PQCVEHOIWRYTFN-UHFFFAOYSA-N 1 2 420.557 3.889 20 30 HHEDLO CC(C)(CCC#N)CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000513117897 1004815912 /nfs/dbraw/zinc/81/59/12/1004815912.db2.gz GRYDQOLISDENEG-UHFFFAOYSA-N 1 2 422.327 3.780 20 30 HHEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(F)c1 ZINC000502162760 1004931296 /nfs/dbraw/zinc/93/12/96/1004931296.db2.gz AEEMTGVDQPYPJY-MRXNPFEDSA-N 1 2 408.477 3.684 20 30 HHEDLO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000502191954 1004949851 /nfs/dbraw/zinc/94/98/51/1004949851.db2.gz CFIIECIRYVLCDT-UHFFFAOYSA-N 1 2 410.905 3.809 20 30 HHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCC3(c4ccccc4)CCOCC3)CC2)cc1 ZINC000502494760 1005091743 /nfs/dbraw/zinc/09/17/43/1005091743.db2.gz KRTQVWAYWVCNFB-UHFFFAOYSA-N 1 2 415.537 3.512 20 30 HHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCC3(c4ccccc4)CCOCC3)CC2)cc1 ZINC000502494760 1005091748 /nfs/dbraw/zinc/09/17/48/1005091748.db2.gz KRTQVWAYWVCNFB-UHFFFAOYSA-N 1 2 415.537 3.512 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CCn2c3ccccc3[nH+]c2NCc2ccccc2)c1 ZINC000513789658 1005128522 /nfs/dbraw/zinc/12/85/22/1005128522.db2.gz LTHFPUBSMMEXIJ-UHFFFAOYSA-N 1 2 416.506 3.994 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000511389346 1005152814 /nfs/dbraw/zinc/15/28/14/1005152814.db2.gz BWPBSUJJLCJKQD-VWNXMTODSA-N 1 2 418.541 3.553 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511574223 1005230261 /nfs/dbraw/zinc/23/02/61/1005230261.db2.gz PCVJSOYCUWKFHJ-PMACEKPBSA-N 1 2 403.860 3.714 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511574223 1005230265 /nfs/dbraw/zinc/23/02/65/1005230265.db2.gz PCVJSOYCUWKFHJ-PMACEKPBSA-N 1 2 403.860 3.714 20 30 HHEDLO CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000511600432 1005240491 /nfs/dbraw/zinc/24/04/91/1005240491.db2.gz SQZZELABOZUEEV-SFHVURJKSA-N 1 2 416.529 3.540 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000504363585 1005607449 /nfs/dbraw/zinc/60/74/49/1005607449.db2.gz GYDHPHSLDAAWQZ-PKTZIBPZSA-N 1 2 414.509 3.985 20 30 HHEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)c2)cc1 ZINC000534037630 1006007024 /nfs/dbraw/zinc/00/70/24/1006007024.db2.gz PZUFJTVQWTVADO-FQEVSTJZSA-N 1 2 406.486 3.679 20 30 HHEDLO COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1C ZINC000531254974 1006073415 /nfs/dbraw/zinc/07/34/15/1006073415.db2.gz BDGMHHKQIHAAFH-SFHVURJKSA-N 1 2 409.530 3.910 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000534129197 1006106157 /nfs/dbraw/zinc/10/61/57/1006106157.db2.gz UEEBHWUJRBJJGZ-ZWKOTPCHSA-N 1 2 417.575 3.537 20 30 HHEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000531911468 1006515029 /nfs/dbraw/zinc/51/50/29/1006515029.db2.gz FCPUQZJDDIVSNP-UHFFFAOYSA-N 1 2 417.431 3.804 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000532115191 1006649075 /nfs/dbraw/zinc/64/90/75/1006649075.db2.gz ZTAMSRIMNFISOQ-WOJBJXKFSA-N 1 2 416.529 3.870 20 30 HHEDLO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc1 ZINC000516103335 1006884923 /nfs/dbraw/zinc/88/49/23/1006884923.db2.gz JGPGWDDEQGNZLX-CYBMUJFWSA-N 1 2 407.333 3.965 20 30 HHEDLO Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nn1CCC#N ZINC000538617113 1006886381 /nfs/dbraw/zinc/88/63/81/1006886381.db2.gz HRTGFYLTRRSYFG-QGZVFWFLSA-N 1 2 418.904 3.684 20 30 HHEDLO Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nn1CCC#N ZINC000538617113 1006886392 /nfs/dbraw/zinc/88/63/92/1006886392.db2.gz HRTGFYLTRRSYFG-QGZVFWFLSA-N 1 2 418.904 3.684 20 30 HHEDLO CN(C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)C1(C#N)CCCCC1 ZINC000516197599 1006936540 /nfs/dbraw/zinc/93/65/40/1006936540.db2.gz MEJJYHRHEIJXPW-HKUYNNGSSA-N 1 2 410.345 3.568 20 30 HHEDLO CN(C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)C1(C#N)CCCCC1 ZINC000516197599 1006936556 /nfs/dbraw/zinc/93/65/56/1006936556.db2.gz MEJJYHRHEIJXPW-HKUYNNGSSA-N 1 2 410.345 3.568 20 30 HHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664247 1006943732 /nfs/dbraw/zinc/94/37/32/1006943732.db2.gz OIMJRYRUIYGMFK-APWZRJJASA-N 1 2 406.534 3.931 20 30 HHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664247 1006943741 /nfs/dbraw/zinc/94/37/41/1006943741.db2.gz OIMJRYRUIYGMFK-APWZRJJASA-N 1 2 406.534 3.931 20 30 HHEDLO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000516267348 1006983153 /nfs/dbraw/zinc/98/31/53/1006983153.db2.gz AYIGIWHUGIEARN-HNNXBMFYSA-N 1 2 410.461 3.914 20 30 HHEDLO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000516267348 1006983163 /nfs/dbraw/zinc/98/31/63/1006983163.db2.gz AYIGIWHUGIEARN-HNNXBMFYSA-N 1 2 410.461 3.914 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000532726860 1007136253 /nfs/dbraw/zinc/13/62/53/1007136253.db2.gz JVGUIKDKHOWFSD-ZJSXRUAMSA-N 1 2 404.558 3.695 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532989463 1007361409 /nfs/dbraw/zinc/36/14/09/1007361409.db2.gz YVVHBRIWTRLSTL-OALUTQOASA-N 1 2 423.314 3.729 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532989463 1007361422 /nfs/dbraw/zinc/36/14/22/1007361422.db2.gz YVVHBRIWTRLSTL-OALUTQOASA-N 1 2 423.314 3.729 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000533221048 1007545701 /nfs/dbraw/zinc/54/57/01/1007545701.db2.gz RVYGTWKFRZIEGI-CQSZACIVSA-N 1 2 420.307 3.818 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000533221048 1007545706 /nfs/dbraw/zinc/54/57/06/1007545706.db2.gz RVYGTWKFRZIEGI-CQSZACIVSA-N 1 2 420.307 3.818 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000533285158 1007598101 /nfs/dbraw/zinc/59/81/01/1007598101.db2.gz VNRAHICHBLYGKY-OTIVFRFGSA-N 1 2 420.582 3.766 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)c1C#N ZINC000533290398 1007603326 /nfs/dbraw/zinc/60/33/26/1007603326.db2.gz HCFGOXHTBQJSMF-HUUCEWRRSA-N 1 2 414.550 3.928 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000533347241 1007655340 /nfs/dbraw/zinc/65/53/40/1007655340.db2.gz CGFOUDRTZALHLI-VQIMIIECSA-N 1 2 411.468 3.574 20 30 HHEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000533358692 1007667043 /nfs/dbraw/zinc/66/70/43/1007667043.db2.gz NVTZPDBQUKJOLD-INIZCTEOSA-N 1 2 411.527 3.795 20 30 HHEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000533358692 1007667049 /nfs/dbraw/zinc/66/70/49/1007667049.db2.gz NVTZPDBQUKJOLD-INIZCTEOSA-N 1 2 411.527 3.795 20 30 HHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000533427282 1007737232 /nfs/dbraw/zinc/73/72/32/1007737232.db2.gz GOEYMHVDRWHKJC-UHFFFAOYSA-N 1 2 421.545 3.744 20 30 HHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000533482413 1007791350 /nfs/dbraw/zinc/79/13/50/1007791350.db2.gz ARYQEHYHXHWZTJ-UHFFFAOYSA-N 1 2 417.488 3.776 20 30 HHEDLO CC(C)Oc1cccc(C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000535967913 1008006014 /nfs/dbraw/zinc/00/60/14/1008006014.db2.gz AYPXJAKAPARJPU-UHFFFAOYSA-N 1 2 403.486 3.602 20 30 HHEDLO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000535967913 1008006020 /nfs/dbraw/zinc/00/60/20/1008006020.db2.gz AYPXJAKAPARJPU-UHFFFAOYSA-N 1 2 403.486 3.602 20 30 HHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539765428 1008080647 /nfs/dbraw/zinc/08/06/47/1008080647.db2.gz HNKIYYDBUXCBDK-LPHOPBHVSA-N 1 2 406.534 3.931 20 30 HHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539765432 1008080806 /nfs/dbraw/zinc/08/08/06/1008080806.db2.gz HNKIYYDBUXCBDK-VQIMIIECSA-N 1 2 406.534 3.931 20 30 HHEDLO N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)s2)cc1 ZINC000539811024 1008108819 /nfs/dbraw/zinc/10/88/19/1008108819.db2.gz SVHQHAGZFFQKAJ-UHFFFAOYSA-N 1 2 419.495 3.535 20 30 HHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000539881537 1008159005 /nfs/dbraw/zinc/15/90/05/1008159005.db2.gz GWVSUBXZHLHDGA-HNNXBMFYSA-N 1 2 400.885 3.668 20 30 HHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000540288901 1008369102 /nfs/dbraw/zinc/36/91/02/1008369102.db2.gz NUWWXLLDRRMZOA-UHFFFAOYSA-N 1 2 421.460 3.666 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000540339731 1008387872 /nfs/dbraw/zinc/38/78/72/1008387872.db2.gz XIBANDXXWJEFHT-IAGOWNOFSA-N 1 2 424.574 3.825 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000540339731 1008387875 /nfs/dbraw/zinc/38/78/75/1008387875.db2.gz XIBANDXXWJEFHT-IAGOWNOFSA-N 1 2 424.574 3.825 20 30 HHEDLO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)OC(C)(C)C ZINC000540520273 1008464960 /nfs/dbraw/zinc/46/49/60/1008464960.db2.gz ORVXFSJREVLCHQ-GOSISDBHSA-N 1 2 405.564 3.783 20 30 HHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935496 1008479177 /nfs/dbraw/zinc/47/91/77/1008479177.db2.gz ISWHPUDAMFGLKB-KXBFYZLASA-N 1 2 415.896 3.899 20 30 HHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935496 1008479182 /nfs/dbraw/zinc/47/91/82/1008479182.db2.gz ISWHPUDAMFGLKB-KXBFYZLASA-N 1 2 415.896 3.899 20 30 HHEDLO N#Cc1cccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000518967522 1008490376 /nfs/dbraw/zinc/49/03/76/1008490376.db2.gz SBSRONYLZHCTTA-LJQANCHMSA-N 1 2 400.885 3.815 20 30 HHEDLO N#Cc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000518967522 1008490380 /nfs/dbraw/zinc/49/03/80/1008490380.db2.gz SBSRONYLZHCTTA-LJQANCHMSA-N 1 2 400.885 3.815 20 30 HHEDLO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000548951525 1008536732 /nfs/dbraw/zinc/53/67/32/1008536732.db2.gz GGNJYAOAADUBCI-JOCHJYFZSA-N 1 2 402.546 3.723 20 30 HHEDLO COc1ccccc1C1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000545448106 1008560443 /nfs/dbraw/zinc/56/04/43/1008560443.db2.gz OLOATZHGMSAYCG-UHFFFAOYSA-N 1 2 418.541 3.516 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000519171479 1008575852 /nfs/dbraw/zinc/57/58/52/1008575852.db2.gz NCXQXFPNQVFNGO-SJORKVTESA-N 1 2 424.501 3.590 20 30 HHEDLO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000549290582 1008862877 /nfs/dbraw/zinc/86/28/77/1008862877.db2.gz AFKNBWPBALGTMJ-UHFFFAOYSA-N 1 2 421.545 3.911 20 30 HHEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000549321207 1008899345 /nfs/dbraw/zinc/89/93/45/1008899345.db2.gz XFVOLCCUSVTNSV-UHFFFAOYSA-N 1 2 411.481 3.584 20 30 HHEDLO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000549399513 1008984038 /nfs/dbraw/zinc/98/40/38/1008984038.db2.gz LIWGXRKOTVRPQD-MRXNPFEDSA-N 1 2 422.483 3.998 20 30 HHEDLO COc1cccc([C@@H]2[C@@H](NCc3nnc(-c4cccc(C#N)c4)o3)CC[N@@H+]2C2CC2)c1 ZINC000549470848 1009064772 /nfs/dbraw/zinc/06/47/72/1009064772.db2.gz DXDNPHPLGYBAPV-JTHBVZDNSA-N 1 2 415.497 3.684 20 30 HHEDLO COc1cccc([C@@H]2[C@@H](NCc3nnc(-c4cccc(C#N)c4)o3)CC[N@H+]2C2CC2)c1 ZINC000549470848 1009064775 /nfs/dbraw/zinc/06/47/75/1009064775.db2.gz DXDNPHPLGYBAPV-JTHBVZDNSA-N 1 2 415.497 3.684 20 30 HHEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000519921265 1009078831 /nfs/dbraw/zinc/07/88/31/1009078831.db2.gz QSYCAWWVGOIIMI-HXUWFJFHSA-N 1 2 410.543 3.723 20 30 HHEDLO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000549600641 1009228682 /nfs/dbraw/zinc/22/86/82/1009228682.db2.gz TVVWJDKNJZVBAK-FXAWDEMLSA-N 1 2 415.969 3.927 20 30 HHEDLO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549668455 1009299042 /nfs/dbraw/zinc/29/90/42/1009299042.db2.gz WNKGKYLRIDOFPF-UHFFFAOYSA-N 1 2 413.529 3.735 20 30 HHEDLO N#Cc1cccc(COc2cccc(CNc3ccc[nH+]c3N3CCOCC3)c2)c1 ZINC000543710481 1009314755 /nfs/dbraw/zinc/31/47/55/1009314755.db2.gz UECKCEXYKUGOBQ-UHFFFAOYSA-N 1 2 400.482 3.981 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543950309 1009548393 /nfs/dbraw/zinc/54/83/93/1009548393.db2.gz MITPQIBBPJTNLW-UGKGYDQZSA-N 1 2 401.432 3.860 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543950309 1009548405 /nfs/dbraw/zinc/54/84/05/1009548405.db2.gz MITPQIBBPJTNLW-UGKGYDQZSA-N 1 2 401.432 3.860 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543950308 1009548614 /nfs/dbraw/zinc/54/86/14/1009548614.db2.gz MITPQIBBPJTNLW-SIKLNZKXSA-N 1 2 401.432 3.860 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543950308 1009548624 /nfs/dbraw/zinc/54/86/24/1009548624.db2.gz MITPQIBBPJTNLW-SIKLNZKXSA-N 1 2 401.432 3.860 20 30 HHEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000546586300 1009612545 /nfs/dbraw/zinc/61/25/45/1009612545.db2.gz IRADQKLVPXZNLF-SFHVURJKSA-N 1 2 406.486 3.634 20 30 HHEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000546586300 1009612548 /nfs/dbraw/zinc/61/25/48/1009612548.db2.gz IRADQKLVPXZNLF-SFHVURJKSA-N 1 2 406.486 3.634 20 30 HHEDLO N#Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1C(F)(F)F ZINC000546856458 1009818134 /nfs/dbraw/zinc/81/81/34/1009818134.db2.gz UQJVTYSKABUGTP-UHFFFAOYSA-N 1 2 406.389 3.623 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000550443402 1009944409 /nfs/dbraw/zinc/94/44/09/1009944409.db2.gz FSSGOUZPSCKCML-NFBKMPQASA-N 1 2 417.933 3.890 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000550443402 1009944419 /nfs/dbraw/zinc/94/44/19/1009944419.db2.gz FSSGOUZPSCKCML-NFBKMPQASA-N 1 2 417.933 3.890 20 30 HHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccco1 ZINC000544449760 1010072813 /nfs/dbraw/zinc/07/28/13/1010072813.db2.gz RXAKQHJICNKACC-IBGZPJMESA-N 1 2 410.449 3.614 20 30 HHEDLO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)cc2)c1 ZINC000551368127 1010543811 /nfs/dbraw/zinc/54/38/11/1010543811.db2.gz AYPDDDKYEHANKV-HSZRJFAPSA-N 1 2 417.465 3.684 20 30 HHEDLO CC(C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cc(Br)ccc1F ZINC000521821773 1010642065 /nfs/dbraw/zinc/64/20/65/1010642065.db2.gz VNPBNPWRYAKHRZ-UHFFFAOYSA-N 1 2 418.310 3.987 20 30 HHEDLO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cc(Br)ccc1F ZINC000521821773 1010642069 /nfs/dbraw/zinc/64/20/69/1010642069.db2.gz VNPBNPWRYAKHRZ-UHFFFAOYSA-N 1 2 418.310 3.987 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)cc1 ZINC000522071567 1010791585 /nfs/dbraw/zinc/79/15/85/1010791585.db2.gz VWZILOXBYNEBIY-UHFFFAOYSA-N 1 2 421.504 3.703 20 30 HHEDLO N#Cc1ccc([C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C(N)=O)cc1 ZINC000522373226 1010964250 /nfs/dbraw/zinc/96/42/50/1010964250.db2.gz OQFDEQYACVQZLI-VWLOTQADSA-N 1 2 421.504 3.786 20 30 HHEDLO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1c(F)cccc1Cl ZINC000540592698 1011249632 /nfs/dbraw/zinc/24/96/32/1011249632.db2.gz QXMQCSQTZGHQEZ-WMLDXEAASA-N 1 2 420.941 3.600 20 30 HHEDLO C=CC[N@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536365254 1011573239 /nfs/dbraw/zinc/57/32/39/1011573239.db2.gz NRMDFHPGKHJXFY-AWEZNQCLSA-N 1 2 421.530 3.739 20 30 HHEDLO C=CC[N@@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536365254 1011573242 /nfs/dbraw/zinc/57/32/42/1011573242.db2.gz NRMDFHPGKHJXFY-AWEZNQCLSA-N 1 2 421.530 3.739 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536918150 1012196696 /nfs/dbraw/zinc/19/66/96/1012196696.db2.gz YYWZUBBJZXTVHJ-AEFFLSMTSA-N 1 2 407.276 3.964 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536918150 1012196706 /nfs/dbraw/zinc/19/67/06/1012196706.db2.gz YYWZUBBJZXTVHJ-AEFFLSMTSA-N 1 2 407.276 3.964 20 30 HHEDLO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000552191692 1012203728 /nfs/dbraw/zinc/20/37/28/1012203728.db2.gz OOPQMTLAOFFYCI-WZONZLPQSA-N 1 2 402.546 3.642 20 30 HHEDLO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000552191692 1012203743 /nfs/dbraw/zinc/20/37/43/1012203743.db2.gz OOPQMTLAOFFYCI-WZONZLPQSA-N 1 2 402.546 3.642 20 30 HHEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523706268 1012310513 /nfs/dbraw/zinc/31/05/13/1012310513.db2.gz BVQQCIZRHPOHRW-IBGZPJMESA-N 1 2 403.935 3.636 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000541593387 1012386665 /nfs/dbraw/zinc/38/66/65/1012386665.db2.gz GXZCZKFHVDXPFM-OALUTQOASA-N 1 2 404.297 3.667 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000541593387 1012386673 /nfs/dbraw/zinc/38/66/73/1012386673.db2.gz GXZCZKFHVDXPFM-OALUTQOASA-N 1 2 404.297 3.667 20 30 HHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1ccc(C)o1 ZINC000541629610 1012443131 /nfs/dbraw/zinc/44/31/31/1012443131.db2.gz WUTMPISJKFLKGG-OAQYLSRUSA-N 1 2 420.513 3.842 20 30 HHEDLO C=CCOc1cccnc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000537092775 1012452678 /nfs/dbraw/zinc/45/26/78/1012452678.db2.gz IWNUNNNVALTJTJ-UHFFFAOYSA-N 1 2 406.511 3.914 20 30 HHEDLO C=CCOc1cccnc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000537092775 1012452686 /nfs/dbraw/zinc/45/26/86/1012452686.db2.gz IWNUNNNVALTJTJ-UHFFFAOYSA-N 1 2 406.511 3.914 20 30 HHEDLO C[C@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)N(CCC#N)c1ccccc1 ZINC000541681532 1012515830 /nfs/dbraw/zinc/51/58/30/1012515830.db2.gz GMRQSUBDMSCWHB-HOTGVXAUSA-N 1 2 407.449 3.862 20 30 HHEDLO CC1(C(=O)NCCCNc2cccc[nH+]2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553027612 1013002803 /nfs/dbraw/zinc/00/28/03/1013002803.db2.gz GWPNMRWVNIZNTQ-UHFFFAOYSA-N 1 2 411.937 3.832 20 30 HHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614924487 1071987234 /nfs/dbraw/zinc/98/72/34/1071987234.db2.gz JUYKSBJAMQDOMK-XLIONFOSSA-N 1 2 411.468 3.982 20 30 HHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614924487 1071987239 /nfs/dbraw/zinc/98/72/39/1071987239.db2.gz JUYKSBJAMQDOMK-XLIONFOSSA-N 1 2 411.468 3.982 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1C#N ZINC001168309930 1072488210 /nfs/dbraw/zinc/48/82/10/1072488210.db2.gz QFYVMEVDNKQLRG-MSOLQXFVSA-N 1 2 402.420 3.630 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1C#N ZINC001168309930 1072488217 /nfs/dbraw/zinc/48/82/17/1072488217.db2.gz QFYVMEVDNKQLRG-MSOLQXFVSA-N 1 2 402.420 3.630 20 30 HHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572231457 1073230983 /nfs/dbraw/zinc/23/09/83/1073230983.db2.gz PCPBZVIXKAZBBF-UHFFFAOYSA-N 1 2 401.248 3.961 20 30 HHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572231457 1073230990 /nfs/dbraw/zinc/23/09/90/1073230990.db2.gz PCPBZVIXKAZBBF-UHFFFAOYSA-N 1 2 401.248 3.961 20 30 HHEDLO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000555240368 1073284455 /nfs/dbraw/zinc/28/44/55/1073284455.db2.gz LXLUGIBLTJXONA-UHFFFAOYSA-N 1 2 403.534 3.509 20 30 HHEDLO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000555243806 1073286755 /nfs/dbraw/zinc/28/67/55/1073286755.db2.gz KUTYJSACPVJZGP-UHFFFAOYSA-N 1 2 413.529 3.579 20 30 HHEDLO N#Cc1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cnc1C(F)(F)F ZINC000590267688 1073721868 /nfs/dbraw/zinc/72/18/68/1073721868.db2.gz ZLRMDNGXOPLOEK-INIZCTEOSA-N 1 2 415.375 3.596 20 30 HHEDLO N#Cc1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cnc1C(F)(F)F ZINC000590267688 1073721872 /nfs/dbraw/zinc/72/18/72/1073721872.db2.gz ZLRMDNGXOPLOEK-INIZCTEOSA-N 1 2 415.375 3.596 20 30 HHEDLO Cc1nn(-c2ccccc2)c(CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1C#N ZINC000591269593 1074223877 /nfs/dbraw/zinc/22/38/77/1074223877.db2.gz GSDPAGBTSGKLGO-UHFFFAOYSA-N 1 2 415.545 3.596 20 30 HHEDLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CC(=O)NC1(C#N)CCCCC1)OCCO3 ZINC000591317396 1074245038 /nfs/dbraw/zinc/24/50/38/1074245038.db2.gz AIJMLQQTABTZFS-GOSISDBHSA-N 1 2 423.557 3.989 20 30 HHEDLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1)OCCO3 ZINC000591317396 1074245040 /nfs/dbraw/zinc/24/50/40/1074245040.db2.gz AIJMLQQTABTZFS-GOSISDBHSA-N 1 2 423.557 3.989 20 30 HHEDLO C=CCN1CC(=O)N(C[C@@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)C1=O ZINC000761003833 1075150639 /nfs/dbraw/zinc/15/06/39/1075150639.db2.gz JFISOUJNNDJWJK-SFHVURJKSA-N 1 2 415.946 3.951 20 30 HHEDLO C=CCN1CC(=O)N(C[C@@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)C1=O ZINC000761003833 1075150642 /nfs/dbraw/zinc/15/06/42/1075150642.db2.gz JFISOUJNNDJWJK-SFHVURJKSA-N 1 2 415.946 3.951 20 30 HHEDLO N#Cc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301344262 970878925 /nfs/dbraw/zinc/87/89/25/970878925.db2.gz JVMCBDVKZHAJKZ-OAQYLSRUSA-N 1 2 403.442 3.500 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303635173 971915155 /nfs/dbraw/zinc/91/51/55/971915155.db2.gz GCYHZBBHHIXUNY-XMSQKQJNSA-N 1 2 422.504 3.588 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303635173 971915161 /nfs/dbraw/zinc/91/51/61/971915161.db2.gz GCYHZBBHHIXUNY-XMSQKQJNSA-N 1 2 422.504 3.588 20 30 HHEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303690670 971966552 /nfs/dbraw/zinc/96/65/52/971966552.db2.gz PPVZAZJIIYGCGK-LLVKDONJSA-N 1 2 400.338 3.989 20 30 HHEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303690670 971966555 /nfs/dbraw/zinc/96/65/55/971966555.db2.gz PPVZAZJIIYGCGK-LLVKDONJSA-N 1 2 400.338 3.989 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000542243029 1013201800 /nfs/dbraw/zinc/20/18/00/1013201800.db2.gz VSNOCPVAQQYBQQ-UHFFFAOYSA-N 1 2 424.353 3.808 20 30 HHEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016089068 962939494 /nfs/dbraw/zinc/93/94/94/962939494.db2.gz ACJQBQBDEDQNSU-UHFFFAOYSA-N 1 2 417.534 3.654 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022788144 963717362 /nfs/dbraw/zinc/71/73/62/963717362.db2.gz KURKUDRMJFQNID-MOTZXUDYSA-N 1 2 408.933 3.870 20 30 HHEDLO O=C(CN1CC[NH+](Cc2ccco2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000022846518 963728613 /nfs/dbraw/zinc/72/86/13/963728613.db2.gz OEDDRVIIZNJCOB-UHFFFAOYSA-N 1 2 400.479 3.948 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000542531608 1013474006 /nfs/dbraw/zinc/47/40/06/1013474006.db2.gz BALBGEKXWOTJPD-LLVKDONJSA-N 1 2 404.396 3.835 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000542531611 1013474048 /nfs/dbraw/zinc/47/40/48/1013474048.db2.gz BALBGEKXWOTJPD-NSHDSACASA-N 1 2 404.396 3.835 20 30 HHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000050960002 964432174 /nfs/dbraw/zinc/43/21/74/964432174.db2.gz HSSILVVFERMVKW-UHFFFAOYSA-N 1 2 415.497 3.720 20 30 HHEDLO CC[C@@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000026467094 964575170 /nfs/dbraw/zinc/57/51/70/964575170.db2.gz CXLOVTFUSWUSDA-JOCHJYFZSA-N 1 2 410.949 3.597 20 30 HHEDLO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000542564158 1013505682 /nfs/dbraw/zinc/50/56/82/1013505682.db2.gz XTZYWKKXZTXESI-CYBMUJFWSA-N 1 2 403.451 3.548 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000028656413 965147868 /nfs/dbraw/zinc/14/78/68/965147868.db2.gz AJRCUMSTYFIEEX-IFMALSPDSA-N 1 2 411.933 3.921 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538027202 1013598840 /nfs/dbraw/zinc/59/88/40/1013598840.db2.gz IBDMVKASALCEFY-TZIWHRDSSA-N 1 2 401.869 3.681 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538027202 1013598847 /nfs/dbraw/zinc/59/88/47/1013598847.db2.gz IBDMVKASALCEFY-TZIWHRDSSA-N 1 2 401.869 3.681 20 30 HHEDLO C[C@H]1CN(CCOC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000538045036 1013618036 /nfs/dbraw/zinc/61/80/36/1013618036.db2.gz JYFKJOGPFASHPO-OALUTQOASA-N 1 2 424.507 3.647 20 30 HHEDLO CN(Cc1ccccc1)C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000060100305 966062943 /nfs/dbraw/zinc/06/29/43/966062943.db2.gz OIOVODCBNWMTDN-UHFFFAOYSA-N 1 2 403.482 3.561 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054303 1013628911 /nfs/dbraw/zinc/62/89/11/1013628911.db2.gz PZJLXBLGAADEBC-WOJBJXKFSA-N 1 2 400.885 3.985 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054303 1013628915 /nfs/dbraw/zinc/62/89/15/1013628915.db2.gz PZJLXBLGAADEBC-WOJBJXKFSA-N 1 2 400.885 3.985 20 30 HHEDLO N#CCCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000553819094 1013635891 /nfs/dbraw/zinc/63/58/91/1013635891.db2.gz DMGZQUCMAKVMOQ-UHFFFAOYSA-N 1 2 405.433 3.611 20 30 HHEDLO N#Cc1ccc(CSc2nnc(NC(=O)NCCCCn3cc[nH+]c3)s2)cc1 ZINC000056633024 966403031 /nfs/dbraw/zinc/40/30/31/966403031.db2.gz GCWKUTWJSMVOKH-UHFFFAOYSA-N 1 2 413.532 3.500 20 30 HHEDLO N#Cc1cccc(NC(=O)C[NH+](CC(=O)Nc2cccc(C#N)c2)C2CCCCC2)c1 ZINC000036644295 966436096 /nfs/dbraw/zinc/43/60/96/966436096.db2.gz BCSIDDLCTQLYIQ-UHFFFAOYSA-N 1 2 415.497 3.642 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000043192798 966930401 /nfs/dbraw/zinc/93/04/01/966930401.db2.gz PNVGYJPSHUHOTN-UHFFFAOYSA-N 1 2 404.392 3.807 20 30 HHEDLO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc(C#N)c(SC)[nH]c3=O)ccc21 ZINC000065316875 967435436 /nfs/dbraw/zinc/43/54/36/967435436.db2.gz TXADJFVLPWZYCJ-UHFFFAOYSA-N 1 2 423.542 3.930 20 30 HHEDLO CC(C)Oc1cccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000046663708 967909904 /nfs/dbraw/zinc/90/99/04/967909904.db2.gz YULYYBXQUOXTCB-LJQANCHMSA-N 1 2 406.530 3.934 20 30 HHEDLO Cc1ccc(OCCCCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000046785984 967965600 /nfs/dbraw/zinc/96/56/00/967965600.db2.gz FKEZTJZOFUGCPD-UHFFFAOYSA-N 1 2 406.530 3.553 20 30 HHEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000071965270 968914544 /nfs/dbraw/zinc/91/45/44/968914544.db2.gz CPJOOSBMCJZRBH-UHFFFAOYSA-N 1 2 417.509 3.671 20 30 HHEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nccn1C(F)F ZINC000097474071 969141832 /nfs/dbraw/zinc/14/18/32/969141832.db2.gz IYHNVCOYNVCNAW-UHFFFAOYSA-N 1 2 407.490 3.941 20 30 HHEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nccn1C(F)F ZINC000097474071 969141838 /nfs/dbraw/zinc/14/18/38/969141838.db2.gz IYHNVCOYNVCNAW-UHFFFAOYSA-N 1 2 407.490 3.941 20 30 HHEDLO C=CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(OC)cc1 ZINC000097504261 969149294 /nfs/dbraw/zinc/14/92/94/969149294.db2.gz TZZZJFIRWOIQEZ-UHFFFAOYSA-N 1 2 416.443 3.870 20 30 HHEDLO C=CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(OC)cc1 ZINC000097504261 969149299 /nfs/dbraw/zinc/14/92/99/969149299.db2.gz TZZZJFIRWOIQEZ-UHFFFAOYSA-N 1 2 416.443 3.870 20 30 HHEDLO C=CC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000111176680 969794357 /nfs/dbraw/zinc/79/43/57/969794357.db2.gz SXPLSMMKNYQRGQ-QFIPXVFZSA-N 1 2 402.523 3.909 20 30 HHEDLO C=CC[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000111176680 969794366 /nfs/dbraw/zinc/79/43/66/969794366.db2.gz SXPLSMMKNYQRGQ-QFIPXVFZSA-N 1 2 402.523 3.909 20 30 HHEDLO Cc1cc(C(O)=CONC(=[NH2+])Cc2csc(C)n2)c(C)n1Cc1cccs1 ZINC000195673307 969946857 /nfs/dbraw/zinc/94/68/57/969946857.db2.gz USYOVCMPZRKZMU-UHFFFAOYSA-N 1 2 402.545 3.694 20 30 HHEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000139176550 970023044 /nfs/dbraw/zinc/02/30/44/970023044.db2.gz OGJDBFFNHMGGFG-OAQYLSRUSA-N 1 2 401.470 3.528 20 30 HHEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000139176550 970023052 /nfs/dbraw/zinc/02/30/52/970023052.db2.gz OGJDBFFNHMGGFG-OAQYLSRUSA-N 1 2 401.470 3.528 20 30 HHEDLO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000139188478 970023913 /nfs/dbraw/zinc/02/39/13/970023913.db2.gz WLPFHBQACWXOSJ-QFIPXVFZSA-N 1 2 415.497 3.918 20 30 HHEDLO CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000139188478 970023917 /nfs/dbraw/zinc/02/39/17/970023917.db2.gz WLPFHBQACWXOSJ-QFIPXVFZSA-N 1 2 415.497 3.918 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000213772433 970040881 /nfs/dbraw/zinc/04/08/81/970040881.db2.gz KURKUDRMJFQNID-MTIYJEKLSA-N 1 2 408.933 3.870 20 30 HHEDLO C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000229788951 970132369 /nfs/dbraw/zinc/13/23/69/970132369.db2.gz LCVUUIHOCOWHAO-XFFZJAGNSA-N 1 2 408.498 3.744 20 30 HHEDLO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1nnnn1-c1ccccc1 ZINC000237456417 970291756 /nfs/dbraw/zinc/29/17/56/970291756.db2.gz OIRZDRAQTFMHLV-GOSISDBHSA-N 1 2 410.481 3.964 20 30 HHEDLO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1nnnn1-c1ccccc1 ZINC000237599586 970319801 /nfs/dbraw/zinc/31/98/01/970319801.db2.gz OIRZDRAQTFMHLV-SFHVURJKSA-N 1 2 410.481 3.964 20 30 HHEDLO Cc1cccn2cc(CC(=O)Nc3nnc(SCc4ccc(C#N)cc4)s3)[nH+]c12 ZINC000261383797 970640513 /nfs/dbraw/zinc/64/05/13/970640513.db2.gz JSEFSEHLESWSLR-UHFFFAOYSA-N 1 2 420.523 3.839 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409753834 973230118 /nfs/dbraw/zinc/23/01/18/973230118.db2.gz MCJAPWHDPAPDMS-UHFFFAOYSA-N 1 2 414.513 3.518 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426184433 974294614 /nfs/dbraw/zinc/29/46/14/974294614.db2.gz USIPBRGCOWUWST-JKSUJKDBSA-N 1 2 403.548 3.683 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426184433 974294620 /nfs/dbraw/zinc/29/46/20/974294620.db2.gz USIPBRGCOWUWST-JKSUJKDBSA-N 1 2 403.548 3.683 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1 ZINC000426211619 974315818 /nfs/dbraw/zinc/31/58/18/974315818.db2.gz CVPBFWIWAYAQJW-WZONZLPQSA-N 1 2 406.530 3.696 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1 ZINC000426211619 974315825 /nfs/dbraw/zinc/31/58/25/974315825.db2.gz CVPBFWIWAYAQJW-WZONZLPQSA-N 1 2 406.530 3.696 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1 ZINC000426211618 974316090 /nfs/dbraw/zinc/31/60/90/974316090.db2.gz CVPBFWIWAYAQJW-MBSDFSHPSA-N 1 2 406.530 3.696 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1 ZINC000426211618 974316098 /nfs/dbraw/zinc/31/60/98/974316098.db2.gz CVPBFWIWAYAQJW-MBSDFSHPSA-N 1 2 406.530 3.696 20 30 HHEDLO CSc1ccc([C@@H](CNC(=O)NCCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000426437924 974449142 /nfs/dbraw/zinc/44/91/42/974449142.db2.gz AESIDPQAYQCEFB-GOSISDBHSA-N 1 2 400.573 3.782 20 30 HHEDLO CSc1ccc([C@@H](CNC(=O)NCCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000426437924 974449145 /nfs/dbraw/zinc/44/91/45/974449145.db2.gz AESIDPQAYQCEFB-GOSISDBHSA-N 1 2 400.573 3.782 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C2)nc1 ZINC000428796377 976072400 /nfs/dbraw/zinc/07/24/00/976072400.db2.gz XBBINYSBDANPHQ-QFIPXVFZSA-N 1 2 412.493 3.636 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C2)nc1 ZINC000428796377 976072410 /nfs/dbraw/zinc/07/24/10/976072410.db2.gz XBBINYSBDANPHQ-QFIPXVFZSA-N 1 2 412.493 3.636 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC000428802465 976081160 /nfs/dbraw/zinc/08/11/60/976081160.db2.gz JQPAIYQGNUNQDL-CQSZACIVSA-N 1 2 424.245 3.970 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC000428802465 976081170 /nfs/dbraw/zinc/08/11/70/976081170.db2.gz JQPAIYQGNUNQDL-CQSZACIVSA-N 1 2 424.245 3.970 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429236247 976526936 /nfs/dbraw/zinc/52/69/36/976526936.db2.gz LSPJRJZYPJJEQU-WBVHZDCISA-N 1 2 401.576 3.964 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429236247 976526947 /nfs/dbraw/zinc/52/69/47/976526947.db2.gz LSPJRJZYPJJEQU-WBVHZDCISA-N 1 2 401.576 3.964 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429526742 976785805 /nfs/dbraw/zinc/78/58/05/976785805.db2.gz IJXOMBRHXWJXNJ-OAHLLOKOSA-N 1 2 411.575 3.880 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCc3cccc(C)c3C2)c1C#N ZINC000429586144 976861209 /nfs/dbraw/zinc/86/12/09/976861209.db2.gz AXPHBODZCCVUAE-UHFFFAOYSA-N 1 2 402.498 3.923 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCc3cccc(C)c3C2)c1C#N ZINC000429586144 976861218 /nfs/dbraw/zinc/86/12/18/976861218.db2.gz AXPHBODZCCVUAE-UHFFFAOYSA-N 1 2 402.498 3.923 20 30 HHEDLO Cn1c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000430174387 977369103 /nfs/dbraw/zinc/36/91/03/977369103.db2.gz VXQISTUDFKNLRR-HNNXBMFYSA-N 1 2 401.392 3.512 20 30 HHEDLO Cn1c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000430174387 977369107 /nfs/dbraw/zinc/36/91/07/977369107.db2.gz VXQISTUDFKNLRR-HNNXBMFYSA-N 1 2 401.392 3.512 20 30 HHEDLO CCn1ccnc1[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(I)cc1 ZINC000430738906 977719062 /nfs/dbraw/zinc/71/90/62/977719062.db2.gz GVDAOSBQIIPQRD-INIZCTEOSA-N 1 2 420.298 3.880 20 30 HHEDLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)N(C)CCC#N ZINC000434525630 980227937 /nfs/dbraw/zinc/22/79/37/980227937.db2.gz GXDBHOUXIHFIIV-LSDHHAIUSA-N 1 2 412.456 3.505 20 30 HHEDLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)N(C)CCC#N ZINC000434525630 980227940 /nfs/dbraw/zinc/22/79/40/980227940.db2.gz GXDBHOUXIHFIIV-LSDHHAIUSA-N 1 2 412.456 3.505 20 30 HHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435025086 980579950 /nfs/dbraw/zinc/57/99/50/980579950.db2.gz HMEMCGZVCACURL-BEFAXECRSA-N 1 2 414.962 3.757 20 30 HHEDLO COc1cc(C#N)ccc1OCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436016755 981157352 /nfs/dbraw/zinc/15/73/52/981157352.db2.gz MJGONNUOTKHRJP-UHFFFAOYSA-N 1 2 424.888 3.525 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437779216 982351360 /nfs/dbraw/zinc/35/13/60/982351360.db2.gz BJYXJDZTZWZXGK-IKTSWFPUSA-N 1 2 411.468 3.520 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437779216 982351367 /nfs/dbraw/zinc/35/13/67/982351367.db2.gz BJYXJDZTZWZXGK-IKTSWFPUSA-N 1 2 411.468 3.520 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000438069283 982569100 /nfs/dbraw/zinc/56/91/00/982569100.db2.gz BPCBFIZRNPPOKV-ZWKOTPCHSA-N 1 2 402.564 3.657 20 30 HHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000438550870 982890767 /nfs/dbraw/zinc/89/07/67/982890767.db2.gz CVYSFBMCPUSKDY-VQIMIIECSA-N 1 2 404.297 3.935 20 30 HHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000438550870 982890777 /nfs/dbraw/zinc/89/07/77/982890777.db2.gz CVYSFBMCPUSKDY-VQIMIIECSA-N 1 2 404.297 3.935 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(NC(=O)Nc4ccc(F)cc4)CC3)o2)c1 ZINC000438665220 982983814 /nfs/dbraw/zinc/98/38/14/982983814.db2.gz CQPXJDGNYWCGSJ-UHFFFAOYSA-N 1 2 420.448 3.533 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)cc1 ZINC000438836011 983105072 /nfs/dbraw/zinc/10/50/72/983105072.db2.gz DQKLHHBZQXCZHX-HSZRJFAPSA-N 1 2 406.530 3.958 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c(C#N)c1C ZINC000439946754 983590471 /nfs/dbraw/zinc/59/04/71/983590471.db2.gz VEPYYXPAUVYWBB-UHFFFAOYSA-N 1 2 406.461 3.986 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c(C#N)c1C ZINC000439946754 983590476 /nfs/dbraw/zinc/59/04/76/983590476.db2.gz VEPYYXPAUVYWBB-UHFFFAOYSA-N 1 2 406.461 3.986 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000441790753 984455362 /nfs/dbraw/zinc/45/53/62/984455362.db2.gz PNYRKNUSZPMRBQ-FQEVSTJZSA-N 1 2 421.888 3.521 20 30 HHEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000461941998 984943691 /nfs/dbraw/zinc/94/36/91/984943691.db2.gz ADFPWVZYKBHUMK-KXBFYZLASA-N 1 2 403.889 3.970 20 30 HHEDLO COc1cc(C[N@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)ccc1C#N ZINC000442807828 985221124 /nfs/dbraw/zinc/22/11/24/985221124.db2.gz FVYGFQWFOLYSDB-UHFFFAOYSA-N 1 2 415.493 3.633 20 30 HHEDLO COc1cc(C[N@@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)ccc1C#N ZINC000442807828 985221134 /nfs/dbraw/zinc/22/11/34/985221134.db2.gz FVYGFQWFOLYSDB-UHFFFAOYSA-N 1 2 415.493 3.633 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)ccc3Br)CC2)cc1 ZINC000467927646 985561651 /nfs/dbraw/zinc/56/16/51/985561651.db2.gz RZGMWBZZZUMPDG-UHFFFAOYSA-N 1 2 417.282 3.810 20 30 HHEDLO N#Cc1ccc(CN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C2CC2)cc1 ZINC000443550020 985721689 /nfs/dbraw/zinc/72/16/89/985721689.db2.gz IQEKOQBKTCBLCB-UHFFFAOYSA-N 1 2 408.933 3.944 20 30 HHEDLO N#Cc1ccc(CN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C2CC2)cc1 ZINC000443550020 985721695 /nfs/dbraw/zinc/72/16/95/985721695.db2.gz IQEKOQBKTCBLCB-UHFFFAOYSA-N 1 2 408.933 3.944 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000463590503 986567172 /nfs/dbraw/zinc/56/71/72/986567172.db2.gz KGLJTMJHYNHOBW-PZJWPPBQSA-N 1 2 402.441 3.713 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000463590503 986567184 /nfs/dbraw/zinc/56/71/84/986567184.db2.gz KGLJTMJHYNHOBW-PZJWPPBQSA-N 1 2 402.441 3.713 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000469506957 987184355 /nfs/dbraw/zinc/18/43/55/987184355.db2.gz PYINZQFUIOVLPH-NQIIRXRSSA-N 1 2 407.518 3.812 20 30 HHEDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000470212391 988138150 /nfs/dbraw/zinc/13/81/50/988138150.db2.gz UQHXADAEOOKCAS-UHFFFAOYSA-N 1 2 409.555 3.892 20 30 HHEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000464694394 988903112 /nfs/dbraw/zinc/90/31/12/988903112.db2.gz SQZWCPQDQMUNER-INIZCTEOSA-N 1 2 403.515 3.930 20 30 HHEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000464694394 988903121 /nfs/dbraw/zinc/90/31/21/988903121.db2.gz SQZWCPQDQMUNER-INIZCTEOSA-N 1 2 403.515 3.930 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCS[C@H](C(C)C)C2)c1C#N ZINC000464779251 989006659 /nfs/dbraw/zinc/00/66/59/989006659.db2.gz UJVJVWZCRUBQQT-IBGZPJMESA-N 1 2 400.548 3.630 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCS[C@H](C(C)C)C2)c1C#N ZINC000464779251 989006669 /nfs/dbraw/zinc/00/66/69/989006669.db2.gz UJVJVWZCRUBQQT-IBGZPJMESA-N 1 2 400.548 3.630 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)o2)c1 ZINC000464783801 989012918 /nfs/dbraw/zinc/01/29/18/989012918.db2.gz QIKXGHPAUCUNAM-UHFFFAOYSA-N 1 2 405.414 3.560 20 30 HHEDLO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c2ccccn2)cc1 ZINC000471082727 989177797 /nfs/dbraw/zinc/17/77/97/989177797.db2.gz JTVVTHRPPMUSJH-XMMPIXPASA-N 1 2 422.492 3.765 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(Br)c1 ZINC000481092499 993930360 /nfs/dbraw/zinc/93/03/60/993930360.db2.gz MWFRAZQFMIZRIT-QGZVFWFLSA-N 1 2 417.282 3.856 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(Br)c1 ZINC000481092499 993930365 /nfs/dbraw/zinc/93/03/65/993930365.db2.gz MWFRAZQFMIZRIT-QGZVFWFLSA-N 1 2 417.282 3.856 20 30 HHEDLO CN(C(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1)C1(C#N)CCCCC1 ZINC000481425575 994261170 /nfs/dbraw/zinc/26/11/70/994261170.db2.gz RJTKISNMZVYWQQ-HSZRJFAPSA-N 1 2 415.541 3.937 20 30 HHEDLO COc1cc(-c2noc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)n2)ccc1C ZINC000481753404 994607095 /nfs/dbraw/zinc/60/70/95/994607095.db2.gz FVOYSDNTKJCNFS-UHFFFAOYSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)(C)NC(=O)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000482498498 995508773 /nfs/dbraw/zinc/50/87/73/995508773.db2.gz BBQJWBULEXNIEE-UHFFFAOYSA-N 1 2 406.530 3.763 20 30 HHEDLO Cc1nc2ccccc2n1C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000482879254 995812761 /nfs/dbraw/zinc/81/27/61/995812761.db2.gz XOHLJAJVJJZAHH-FQEVSTJZSA-N 1 2 405.527 3.720 20 30 HHEDLO Cc1nc2ccccc2n1C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000482879256 995812836 /nfs/dbraw/zinc/81/28/36/995812836.db2.gz XOHLJAJVJJZAHH-HXUWFJFHSA-N 1 2 405.527 3.720 20 30 HHEDLO Cc1cccc(CC2(O)CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000482938744 995867240 /nfs/dbraw/zinc/86/72/40/995867240.db2.gz VJQLPSUOHLBJIL-UHFFFAOYSA-N 1 2 409.555 3.619 20 30 HHEDLO COc1cccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2cc(F)ccc2OC)c1 ZINC000475148792 995954704 /nfs/dbraw/zinc/95/47/04/995954704.db2.gz ARJTUGDWHLHAJR-PKTZIBPZSA-N 1 2 413.493 3.576 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000483244456 996057372 /nfs/dbraw/zinc/05/73/72/996057372.db2.gz ODNJWVVNFJSMLQ-GOSISDBHSA-N 1 2 404.470 3.559 20 30 HHEDLO Cn1c2ccc(C[NH+]3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)cc2sc1=O ZINC000475344729 996080224 /nfs/dbraw/zinc/08/02/24/996080224.db2.gz DLNNXRQTYYIKLC-IBGZPJMESA-N 1 2 412.946 3.636 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]([C@H](C)C(=O)OC)C2CCC2)cc1OC ZINC000483439784 996180294 /nfs/dbraw/zinc/18/02/94/996180294.db2.gz MMMVCFMWCNVVDX-CYBMUJFWSA-N 1 2 412.324 3.939 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]([C@H](C)C(=O)OC)C2CCC2)cc1OC ZINC000483439784 996180297 /nfs/dbraw/zinc/18/02/97/996180297.db2.gz MMMVCFMWCNVVDX-CYBMUJFWSA-N 1 2 412.324 3.939 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]([C@@H](C)C(=O)OC)C2CCC2)cc1OC ZINC000483439785 996180408 /nfs/dbraw/zinc/18/04/08/996180408.db2.gz MMMVCFMWCNVVDX-ZDUSSCGKSA-N 1 2 412.324 3.939 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]([C@@H](C)C(=O)OC)C2CCC2)cc1OC ZINC000483439785 996180410 /nfs/dbraw/zinc/18/04/10/996180410.db2.gz MMMVCFMWCNVVDX-ZDUSSCGKSA-N 1 2 412.324 3.939 20 30 HHEDLO COc1cc(Br)c(OCC[N@H+](C)C[C@H](C)C#N)cc1Br ZINC000475527362 996202432 /nfs/dbraw/zinc/20/24/32/996202432.db2.gz HOKBYUDPNQFPDG-SNVBAGLBSA-N 1 2 406.118 3.690 20 30 HHEDLO COc1cc(Br)c(OCC[N@@H+](C)C[C@H](C)C#N)cc1Br ZINC000475527362 996202437 /nfs/dbraw/zinc/20/24/37/996202437.db2.gz HOKBYUDPNQFPDG-SNVBAGLBSA-N 1 2 406.118 3.690 20 30 HHEDLO CC(C)(C#N)CCCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000476470455 996948313 /nfs/dbraw/zinc/94/83/13/996948313.db2.gz JBIJJHYERDQDEI-UHFFFAOYSA-N 1 2 420.604 3.602 20 30 HHEDLO Cc1cc(Br)ccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000485017682 997382930 /nfs/dbraw/zinc/38/29/30/997382930.db2.gz NMSCWLBJOLTUQY-UHFFFAOYSA-N 1 2 412.331 3.516 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000477271525 997949079 /nfs/dbraw/zinc/94/90/79/997949079.db2.gz CUZIXVXXCDSCBM-UHFFFAOYSA-N 1 2 414.343 3.581 20 30 HHEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)C2=O)cc1 ZINC000485550369 998005453 /nfs/dbraw/zinc/00/54/53/998005453.db2.gz MHPXBYSRWPSDSK-AWEZNQCLSA-N 1 2 405.342 3.870 20 30 HHEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)C2=O)cc1 ZINC000485550369 998005463 /nfs/dbraw/zinc/00/54/63/998005463.db2.gz MHPXBYSRWPSDSK-AWEZNQCLSA-N 1 2 405.342 3.870 20 30 HHEDLO COc1cc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000485872939 998330594 /nfs/dbraw/zinc/33/05/94/998330594.db2.gz JQLRZIFLDJVPPT-QHCPKHFHSA-N 1 2 422.525 3.773 20 30 HHEDLO COc1cc(C[N@H+]2CCO[C@H](COCC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000485872939 998330603 /nfs/dbraw/zinc/33/06/03/998330603.db2.gz JQLRZIFLDJVPPT-QHCPKHFHSA-N 1 2 422.525 3.773 20 30 HHEDLO CCc1cccc2c(CCNC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000477623595 998342447 /nfs/dbraw/zinc/34/24/47/998342447.db2.gz RFPIAKWXEWGNAC-UHFFFAOYSA-N 1 2 415.541 3.672 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000477853316 998605903 /nfs/dbraw/zinc/60/59/03/998605903.db2.gz FUALSBBPTXMVMO-UHFFFAOYSA-N 1 2 402.420 3.552 20 30 HHEDLO C[N@H+](CCCc1cc(-c2ccccc2)no1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478023808 998719272 /nfs/dbraw/zinc/71/92/72/998719272.db2.gz JPYAQWLWRGHZLU-UHFFFAOYSA-N 1 2 409.511 3.552 20 30 HHEDLO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478023808 998719278 /nfs/dbraw/zinc/71/92/78/998719278.db2.gz JPYAQWLWRGHZLU-UHFFFAOYSA-N 1 2 409.511 3.552 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1C#N ZINC000486807985 998948718 /nfs/dbraw/zinc/94/87/18/998948718.db2.gz IDTXBOXXVFHRFS-VQTJNVASSA-N 1 2 416.591 3.627 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1C#N ZINC000486807985 998948719 /nfs/dbraw/zinc/94/87/19/998948719.db2.gz IDTXBOXXVFHRFS-VQTJNVASSA-N 1 2 416.591 3.627 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1C#N ZINC000486807980 998948780 /nfs/dbraw/zinc/94/87/80/998948780.db2.gz IDTXBOXXVFHRFS-PMACEKPBSA-N 1 2 416.591 3.627 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1C#N ZINC000486807980 998948782 /nfs/dbraw/zinc/94/87/82/998948782.db2.gz IDTXBOXXVFHRFS-PMACEKPBSA-N 1 2 416.591 3.627 20 30 HHEDLO C=CCC[C@@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000487804708 999295553 /nfs/dbraw/zinc/29/55/53/999295553.db2.gz RZWZAVFDRJTTDW-HSZRJFAPSA-N 1 2 405.542 3.956 20 30 HHEDLO COCC1(C#N)CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000479338113 999392681 /nfs/dbraw/zinc/39/26/81/999392681.db2.gz DMEKVKMKQPMSFS-GOSISDBHSA-N 1 2 422.932 3.578 20 30 HHEDLO C[N@H+](CCO)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C ZINC000488517859 999515148 /nfs/dbraw/zinc/51/51/48/999515148.db2.gz VOMFFLQLOBZPRA-FPLPWBNLSA-N 1 2 422.554 3.655 20 30 HHEDLO C[N@@H+](CCO)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C ZINC000488517859 999515151 /nfs/dbraw/zinc/51/51/51/999515151.db2.gz VOMFFLQLOBZPRA-FPLPWBNLSA-N 1 2 422.554 3.655 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488973547 999661452 /nfs/dbraw/zinc/66/14/52/999661452.db2.gz GCFJFWCOCIUVII-DLBZAZTESA-N 1 2 403.523 3.729 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488973547 999661454 /nfs/dbraw/zinc/66/14/54/999661454.db2.gz GCFJFWCOCIUVII-DLBZAZTESA-N 1 2 403.523 3.729 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(c3nnc(Cc4ccc(Cl)cc4)s3)CC2)cc1 ZINC000489083174 999693848 /nfs/dbraw/zinc/69/38/48/999693848.db2.gz NQGITJHVKDXIHH-UHFFFAOYSA-N 1 2 409.946 3.976 20 30 HHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000480152436 999731862 /nfs/dbraw/zinc/73/18/62/999731862.db2.gz KKTFQLMNXGCZAE-UHFFFAOYSA-N 1 2 422.529 3.564 20 30 HHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000480152436 999731863 /nfs/dbraw/zinc/73/18/63/999731863.db2.gz KKTFQLMNXGCZAE-UHFFFAOYSA-N 1 2 422.529 3.564 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3Br)CC2)no1 ZINC000480245470 999755156 /nfs/dbraw/zinc/75/51/56/999755156.db2.gz ITCRLOOXLLVMJN-HNNXBMFYSA-N 1 2 404.312 3.503 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3Br)CC2)no1 ZINC000480245470 999755158 /nfs/dbraw/zinc/75/51/58/999755158.db2.gz ITCRLOOXLLVMJN-HNNXBMFYSA-N 1 2 404.312 3.503 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490261807 999924559 /nfs/dbraw/zinc/92/45/59/999924559.db2.gz YZUGNQNHUCDBFM-VXKWHMMOSA-N 1 2 410.468 3.956 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490261807 999924561 /nfs/dbraw/zinc/92/45/61/999924561.db2.gz YZUGNQNHUCDBFM-VXKWHMMOSA-N 1 2 410.468 3.956 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000491055761 1000039964 /nfs/dbraw/zinc/03/99/64/1000039964.db2.gz AVEYQMMSCGRFLP-UHFFFAOYSA-N 1 2 406.530 3.876 20 30 HHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000491368181 1000068840 /nfs/dbraw/zinc/06/88/40/1000068840.db2.gz PLPGKIIAUNRNPI-UHFFFAOYSA-N 1 2 412.471 3.981 20 30 HHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000491368181 1000068842 /nfs/dbraw/zinc/06/88/42/1000068842.db2.gz PLPGKIIAUNRNPI-UHFFFAOYSA-N 1 2 412.471 3.981 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C#N)c1C ZINC000492600253 1000134551 /nfs/dbraw/zinc/13/45/51/1000134551.db2.gz GJSXYCZTOXLCGP-LBPRGKRZSA-N 1 2 409.412 3.648 20 30 HHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1)CCCC2 ZINC000494783014 1000654175 /nfs/dbraw/zinc/65/41/75/1000654175.db2.gz ONDHFQWJSTYBHV-VGSWGCGISA-N 1 2 421.545 3.521 20 30 HHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1)CCCC2 ZINC000494783014 1000654180 /nfs/dbraw/zinc/65/41/80/1000654180.db2.gz ONDHFQWJSTYBHV-VGSWGCGISA-N 1 2 421.545 3.521 20 30 HHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1)CCCC2 ZINC000495051498 1000800099 /nfs/dbraw/zinc/80/00/99/1000800099.db2.gz WNENDWQVUIDVIH-KNQAVFIVSA-N 1 2 418.541 3.803 20 30 HHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1)CCCC2 ZINC000495051498 1000800104 /nfs/dbraw/zinc/80/01/04/1000800104.db2.gz WNENDWQVUIDVIH-KNQAVFIVSA-N 1 2 418.541 3.803 20 30 HHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000505718580 1000991843 /nfs/dbraw/zinc/99/18/43/1000991843.db2.gz FLNSRPBMAHPOJU-OAQYLSRUSA-N 1 2 400.507 3.891 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000496186306 1001136441 /nfs/dbraw/zinc/13/64/41/1001136441.db2.gz IFIFWXPSFOQLHL-LJQANCHMSA-N 1 2 401.869 3.970 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000496186306 1001136445 /nfs/dbraw/zinc/13/64/45/1001136445.db2.gz IFIFWXPSFOQLHL-LJQANCHMSA-N 1 2 401.869 3.970 20 30 HHEDLO CCOc1cc(Cl)ccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506580620 1001463635 /nfs/dbraw/zinc/46/36/35/1001463635.db2.gz PJDJTOOBFSCUSP-UHFFFAOYSA-N 1 2 412.921 3.638 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(=O)NC(C)(C)C)cc1OCC ZINC000506730290 1001507815 /nfs/dbraw/zinc/50/78/15/1001507815.db2.gz MBVNWSRTBMHWSG-UHFFFAOYSA-N 1 2 413.356 3.759 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1OCC ZINC000506730290 1001507817 /nfs/dbraw/zinc/50/78/17/1001507817.db2.gz MBVNWSRTBMHWSG-UHFFFAOYSA-N 1 2 413.356 3.759 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000506768203 1001520322 /nfs/dbraw/zinc/52/03/22/1001520322.db2.gz SHTMEQCYBXBUGR-WIYYLYMNSA-N 1 2 404.514 3.607 20 30 HHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000507408714 1002055526 /nfs/dbraw/zinc/05/55/26/1002055526.db2.gz XSLIBYNEUDNLRM-QGZVFWFLSA-N 1 2 408.889 3.904 20 30 HHEDLO CCCCCC(=O)NC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000498669015 1002061708 /nfs/dbraw/zinc/06/17/08/1002061708.db2.gz TTWNLWGNFCWKBX-UHFFFAOYSA-N 1 2 408.546 3.899 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3OC(F)F)CC2)cc1 ZINC000507786105 1002343447 /nfs/dbraw/zinc/34/34/47/1002343447.db2.gz GMBCHPRSXBQVPV-UHFFFAOYSA-N 1 2 401.413 3.642 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000507787073 1002344393 /nfs/dbraw/zinc/34/43/93/1002344393.db2.gz MOMGTLVYDBWTDR-UHFFFAOYSA-N 1 2 414.303 3.803 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507802807 1002353773 /nfs/dbraw/zinc/35/37/73/1002353773.db2.gz WYIYRFZDLHLXEV-HNNXBMFYSA-N 1 2 408.889 3.954 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000507860647 1002396276 /nfs/dbraw/zinc/39/62/76/1002396276.db2.gz QFINMKQYEDDTAR-UHFFFAOYSA-N 1 2 401.413 3.642 20 30 HHEDLO N#Cc1cc(F)cc(C2(c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)CC2)c1 ZINC000508012697 1002537928 /nfs/dbraw/zinc/53/79/28/1002537928.db2.gz LIDAJGVUVUXZHU-UHFFFAOYSA-N 1 2 404.445 3.659 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)C1 ZINC000499171008 1002558100 /nfs/dbraw/zinc/55/81/00/1002558100.db2.gz QWOQJWJXMCQECV-SFTDATJTSA-N 1 2 424.932 3.572 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)C1 ZINC000499171008 1002558108 /nfs/dbraw/zinc/55/81/08/1002558108.db2.gz QWOQJWJXMCQECV-SFTDATJTSA-N 1 2 424.932 3.572 20 30 HHEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)C1=O ZINC000499521841 1002910757 /nfs/dbraw/zinc/91/07/57/1002910757.db2.gz IJMKPFMYZXLGNR-MRXNPFEDSA-N 1 2 417.859 3.795 20 30 HHEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)C1=O ZINC000499521841 1002910765 /nfs/dbraw/zinc/91/07/65/1002910765.db2.gz IJMKPFMYZXLGNR-MRXNPFEDSA-N 1 2 417.859 3.795 20 30 HHEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1C#N ZINC000499587326 1002963115 /nfs/dbraw/zinc/96/31/15/1002963115.db2.gz NBBFKNDMMDFEIN-UHFFFAOYSA-N 1 2 424.501 3.609 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499617547 1002987306 /nfs/dbraw/zinc/98/73/06/1002987306.db2.gz FCIFKPLIOUKQPK-KRWDZBQOSA-N 1 2 414.472 3.536 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499617547 1002987318 /nfs/dbraw/zinc/98/73/18/1002987318.db2.gz FCIFKPLIOUKQPK-KRWDZBQOSA-N 1 2 414.472 3.536 20 30 HHEDLO COCCCOc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000508581374 1003043953 /nfs/dbraw/zinc/04/39/53/1003043953.db2.gz IWDPMOQHNUWZSQ-UHFFFAOYSA-N 1 2 422.485 3.544 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCc3c[nH]c4ccc(F)cc34)CC2)cc1 ZINC000508622985 1003075045 /nfs/dbraw/zinc/07/50/45/1003075045.db2.gz UAUVYAZBNXMSFB-UHFFFAOYSA-N 1 2 419.504 3.639 20 30 HHEDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000499959357 1003279302 /nfs/dbraw/zinc/27/93/02/1003279302.db2.gz APTRHRIBZCTSQD-FZKQIMNGSA-N 1 2 407.848 3.577 20 30 HHEDLO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508887830 1003313615 /nfs/dbraw/zinc/31/36/15/1003313615.db2.gz KUZXDRFEXGQHEQ-QGZVFWFLSA-N 1 2 411.481 3.658 20 30 HHEDLO COc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)n2)c(OC)c1 ZINC000509065220 1003527236 /nfs/dbraw/zinc/52/72/36/1003527236.db2.gz ADTAGRVRDLPRSO-UHFFFAOYSA-N 1 2 420.469 3.669 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000509119146 1003565827 /nfs/dbraw/zinc/56/58/27/1003565827.db2.gz AQCJYBFVUWHWSC-UHFFFAOYSA-N 1 2 410.884 3.644 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000509119146 1003565835 /nfs/dbraw/zinc/56/58/35/1003565835.db2.gz AQCJYBFVUWHWSC-UHFFFAOYSA-N 1 2 410.884 3.644 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000509212856 1003628084 /nfs/dbraw/zinc/62/80/84/1003628084.db2.gz RUMRALOKBBHBPN-SFHVURJKSA-N 1 2 422.529 3.522 20 30 HHEDLO CC(C)N(C(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC000500604695 1003820244 /nfs/dbraw/zinc/82/02/44/1003820244.db2.gz GEJOJVIFROBWAF-UHFFFAOYSA-N 1 2 413.525 3.670 20 30 HHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000512379823 1004259388 /nfs/dbraw/zinc/25/93/88/1004259388.db2.gz PUYPJAUWLLLOCJ-UHFFFAOYSA-N 1 2 409.486 3.784 20 30 HHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000512379823 1004259396 /nfs/dbraw/zinc/25/93/96/1004259396.db2.gz PUYPJAUWLLLOCJ-UHFFFAOYSA-N 1 2 409.486 3.784 20 30 HHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000512421531 1004287529 /nfs/dbraw/zinc/28/75/29/1004287529.db2.gz SSNHVOHHZAXVJD-FQEVSTJZSA-N 1 2 405.527 3.737 20 30 HHEDLO Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC000512812509 1004574887 /nfs/dbraw/zinc/57/48/87/1004574887.db2.gz VKPFDTOFPNCRFO-UHFFFAOYSA-N 1 2 424.476 3.506 20 30 HHEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512834453 1004593535 /nfs/dbraw/zinc/59/35/35/1004593535.db2.gz RPCAHQFFCLJFEW-HNNXBMFYSA-N 1 2 424.476 3.526 20 30 HHEDLO C=CCc1cc(C[NH+]2CC(n3cc(-c4ccc(OCC)cc4)nn3)C2)cc(OC)c1O ZINC000501739239 1004665213 /nfs/dbraw/zinc/66/52/13/1004665213.db2.gz AOLOUUDKUFHBJI-UHFFFAOYSA-N 1 2 420.513 3.843 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000510595972 1004741658 /nfs/dbraw/zinc/74/16/58/1004741658.db2.gz IGNLFNJYDSEGBI-OAQYLSRUSA-N 1 2 417.538 3.632 20 30 HHEDLO N#Cc1ccc(Cc2cnc(NC(=O)CCn3cc[nH+]c3)s2)c(C(F)(F)F)c1 ZINC000510819475 1004872689 /nfs/dbraw/zinc/87/26/89/1004872689.db2.gz DBGIESPHVGSUKS-UHFFFAOYSA-N 1 2 405.405 3.850 20 30 HHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2c(F)cncc2F)c1C#N ZINC000513266139 1004886460 /nfs/dbraw/zinc/88/64/60/1004886460.db2.gz IYOHQNVXJOWJMC-CQSZACIVSA-N 1 2 409.440 3.928 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2c(F)cncc2F)c1C#N ZINC000513275256 1004891100 /nfs/dbraw/zinc/89/11/00/1004891100.db2.gz CLGZJMZPJHMOIK-OAHLLOKOSA-N 1 2 423.467 3.987 20 30 HHEDLO COc1ccc(C#N)cc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510933639 1004941431 /nfs/dbraw/zinc/94/14/31/1004941431.db2.gz IKIUKOHEXUMLKE-UHFFFAOYSA-N 1 2 415.291 3.821 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](c2nncn2C)C(C)C)c1C#N ZINC000510970363 1004959367 /nfs/dbraw/zinc/95/93/67/1004959367.db2.gz SKRHPBJCZAOVCQ-HXUWFJFHSA-N 1 2 411.554 3.536 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@H](F)c3ccccc3F)CC2)cc1 ZINC000511140278 1005040998 /nfs/dbraw/zinc/04/09/98/1005040998.db2.gz JEDZDEYCVXFEQL-NRFANRHFSA-N 1 2 404.482 3.894 20 30 HHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)Cc1ccncc1 ZINC000502732778 1005194882 /nfs/dbraw/zinc/19/48/82/1005194882.db2.gz NRXOPPDLDANHBD-UHFFFAOYSA-N 1 2 405.477 3.961 20 30 HHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)Cc1ccncc1 ZINC000502732778 1005194886 /nfs/dbraw/zinc/19/48/86/1005194886.db2.gz NRXOPPDLDANHBD-UHFFFAOYSA-N 1 2 405.477 3.961 20 30 HHEDLO COC(=O)C1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCCCCC1 ZINC000502756762 1005203053 /nfs/dbraw/zinc/20/30/53/1005203053.db2.gz VOQQEEXDLGQWKX-UHFFFAOYSA-N 1 2 403.548 3.683 20 30 HHEDLO N#CCCN(C(=O)CCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513992016 1005217649 /nfs/dbraw/zinc/21/76/49/1005217649.db2.gz MMOUKSBDERWENK-NRFANRHFSA-N 1 2 424.932 3.540 20 30 HHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc(OC)c1 ZINC000514087942 1005259870 /nfs/dbraw/zinc/25/98/70/1005259870.db2.gz JIKUUFVVFIJGCM-UHFFFAOYSA-N 1 2 413.543 3.976 20 30 HHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc(OC)c1 ZINC000514087942 1005259877 /nfs/dbraw/zinc/25/98/77/1005259877.db2.gz JIKUUFVVFIJGCM-UHFFFAOYSA-N 1 2 413.543 3.976 20 30 HHEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000511690908 1005278038 /nfs/dbraw/zinc/27/80/38/1005278038.db2.gz JTYOTAITGXICLZ-HXUWFJFHSA-N 1 2 407.424 3.625 20 30 HHEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000511690908 1005278042 /nfs/dbraw/zinc/27/80/42/1005278042.db2.gz JTYOTAITGXICLZ-HXUWFJFHSA-N 1 2 407.424 3.625 20 30 HHEDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)nn1-c1cccc(C#N)c1 ZINC000503088785 1005344493 /nfs/dbraw/zinc/34/44/93/1005344493.db2.gz YKZZECFIBMPRLH-UHFFFAOYSA-N 1 2 414.513 3.758 20 30 HHEDLO N#Cc1cc(F)c(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c(F)c1 ZINC000531270152 1006083254 /nfs/dbraw/zinc/08/32/54/1006083254.db2.gz CIXGVBMILAUEHV-UHFFFAOYSA-N 1 2 406.396 3.725 20 30 HHEDLO CSc1nc(C2CC2)cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C#N ZINC000514721437 1006092153 /nfs/dbraw/zinc/09/21/53/1006092153.db2.gz IENDGWYFOOMPCH-UHFFFAOYSA-N 1 2 408.527 3.637 20 30 HHEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1[C@@H]1COc2ccccc2O1 ZINC000534519144 1006515133 /nfs/dbraw/zinc/51/51/33/1006515133.db2.gz XOKAHEXEJDCTBX-IBGZPJMESA-N 1 2 410.499 3.981 20 30 HHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000534777909 1006776817 /nfs/dbraw/zinc/77/68/17/1006776817.db2.gz SJJBLWYFTLEAJN-HXUWFJFHSA-N 1 2 406.486 3.679 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000534859865 1006882507 /nfs/dbraw/zinc/88/25/07/1006882507.db2.gz BUZAMYFFOHVUJC-KRWDZBQOSA-N 1 2 409.559 3.991 20 30 HHEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560862 1006992860 /nfs/dbraw/zinc/99/28/60/1006992860.db2.gz ZMGIYZUGOCPCKA-OAHLLOKOSA-N 1 2 423.517 3.846 20 30 HHEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560862 1006992871 /nfs/dbraw/zinc/99/28/71/1006992871.db2.gz ZMGIYZUGOCPCKA-OAHLLOKOSA-N 1 2 423.517 3.846 20 30 HHEDLO CC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H](C)CS(=O)(=O)CC ZINC000538731713 1007013365 /nfs/dbraw/zinc/01/33/65/1007013365.db2.gz HZJYCEFEYDAPIN-SFHVURJKSA-N 1 2 400.544 3.782 20 30 HHEDLO CC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H](C)CS(=O)(=O)CC ZINC000538731713 1007013379 /nfs/dbraw/zinc/01/33/79/1007013379.db2.gz HZJYCEFEYDAPIN-SFHVURJKSA-N 1 2 400.544 3.782 20 30 HHEDLO COc1cc(C[NH+]2CCN(Cc3cccc(OCCCC#N)c3)CC2)cc(OC)c1 ZINC000538761772 1007046025 /nfs/dbraw/zinc/04/60/25/1007046025.db2.gz AWGJFOPWMYLTNE-UHFFFAOYSA-N 1 2 409.530 3.704 20 30 HHEDLO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000532642469 1007060826 /nfs/dbraw/zinc/06/08/26/1007060826.db2.gz KRCGXVLLXMRZRV-SFHVURJKSA-N 1 2 405.523 3.779 20 30 HHEDLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000532670844 1007086413 /nfs/dbraw/zinc/08/64/13/1007086413.db2.gz FGDHFLKHJPJLPT-QGZVFWFLSA-N 1 2 415.497 3.944 20 30 HHEDLO CCCCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1OCC ZINC000538808278 1007087200 /nfs/dbraw/zinc/08/72/00/1007087200.db2.gz KGDIATAXTKXZMR-GOSISDBHSA-N 1 2 409.534 3.637 20 30 HHEDLO CCCCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1OCC ZINC000538808278 1007087215 /nfs/dbraw/zinc/08/72/15/1007087215.db2.gz KGDIATAXTKXZMR-GOSISDBHSA-N 1 2 409.534 3.637 20 30 HHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000538808715 1007087823 /nfs/dbraw/zinc/08/78/23/1007087823.db2.gz LOKQWLLQQLEZAF-CYBMUJFWSA-N 1 2 416.312 3.642 20 30 HHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000538808715 1007087835 /nfs/dbraw/zinc/08/78/35/1007087835.db2.gz LOKQWLLQQLEZAF-CYBMUJFWSA-N 1 2 416.312 3.642 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532761896 1007167459 /nfs/dbraw/zinc/16/74/59/1007167459.db2.gz KBRWLBZLEIUNTJ-MRXNPFEDSA-N 1 2 411.527 3.923 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532761896 1007167476 /nfs/dbraw/zinc/16/74/76/1007167476.db2.gz KBRWLBZLEIUNTJ-MRXNPFEDSA-N 1 2 411.527 3.923 20 30 HHEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)CCCCC1 ZINC000516706080 1007245889 /nfs/dbraw/zinc/24/58/89/1007245889.db2.gz JJUMCUQHIGFVSO-UHFFFAOYSA-N 1 2 421.520 3.638 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccnn3CC3CCCCC3)CC2)c1 ZINC000532965781 1007333046 /nfs/dbraw/zinc/33/30/46/1007333046.db2.gz FUDDNHNOAQXWEK-UHFFFAOYSA-N 1 2 421.545 3.817 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539117959 1007406903 /nfs/dbraw/zinc/40/69/03/1007406903.db2.gz QBKXXJJZQITASO-UXHICEINSA-N 1 2 421.925 3.606 20 30 HHEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539117959 1007406911 /nfs/dbraw/zinc/40/69/11/1007406911.db2.gz QBKXXJJZQITASO-UXHICEINSA-N 1 2 421.925 3.606 20 30 HHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCC[C@H](CO)C3)sc2C1 ZINC000533234679 1007555994 /nfs/dbraw/zinc/55/59/94/1007555994.db2.gz PDMNLAFOVBSIPR-HOTGVXAUSA-N 1 2 403.592 3.804 20 30 HHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCC[C@H](CO)C3)sc2C1 ZINC000533234679 1007556004 /nfs/dbraw/zinc/55/60/04/1007556004.db2.gz PDMNLAFOVBSIPR-HOTGVXAUSA-N 1 2 403.592 3.804 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539362520 1007664383 /nfs/dbraw/zinc/66/43/83/1007664383.db2.gz SNJGGGJRXVPSQQ-LPHOPBHVSA-N 1 2 416.978 3.803 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539362520 1007664403 /nfs/dbraw/zinc/66/44/03/1007664403.db2.gz SNJGGGJRXVPSQQ-LPHOPBHVSA-N 1 2 416.978 3.803 20 30 HHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539362509 1007664472 /nfs/dbraw/zinc/66/44/72/1007664472.db2.gz SNJGGGJRXVPSQQ-APWZRJJASA-N 1 2 416.978 3.803 20 30 HHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000539362509 1007664481 /nfs/dbraw/zinc/66/44/81/1007664481.db2.gz SNJGGGJRXVPSQQ-APWZRJJASA-N 1 2 416.978 3.803 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000517515407 1007736559 /nfs/dbraw/zinc/73/65/59/1007736559.db2.gz NXVQNHJWBRIHFK-UHFFFAOYSA-N 1 2 424.353 3.808 20 30 HHEDLO CC1(C)CN(C(=O)C2C[NH+](Cc3ccc(C#N)o3)C2)c2ccc(N3CCCC3)cc21 ZINC000517758945 1007947796 /nfs/dbraw/zinc/94/77/96/1007947796.db2.gz IWTZBXNTQUJJQV-UHFFFAOYSA-N 1 2 404.514 3.508 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000540395433 1008415257 /nfs/dbraw/zinc/41/52/57/1008415257.db2.gz RIGIPYGBRNZYBY-YADHBBJMSA-N 1 2 424.932 3.569 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000519136232 1008558017 /nfs/dbraw/zinc/55/80/17/1008558017.db2.gz VJRURSRTRLCMRA-JPYJTQIMSA-N 1 2 407.514 3.994 20 30 HHEDLO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000549085874 1008650245 /nfs/dbraw/zinc/65/02/45/1008650245.db2.gz BTSZHSANJZBZOZ-UHFFFAOYSA-N 1 2 412.950 3.874 20 30 HHEDLO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000549213169 1008784274 /nfs/dbraw/zinc/78/42/74/1008784274.db2.gz GJNMJINAISXYPZ-UHFFFAOYSA-N 1 2 408.937 3.892 20 30 HHEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000520172925 1009318154 /nfs/dbraw/zinc/31/81/54/1009318154.db2.gz SVXNKFJEICNSGL-UHFFFAOYSA-N 1 2 417.553 3.968 20 30 HHEDLO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000549692306 1009322091 /nfs/dbraw/zinc/32/20/91/1009322091.db2.gz HLEDSLMNGVNJDP-UHFFFAOYSA-N 1 2 408.937 3.892 20 30 HHEDLO N#CC1(C[NH2+]Cc2cc(I)c(Br)cc2F)CC1 ZINC000547405642 1010290638 /nfs/dbraw/zinc/29/06/38/1010290638.db2.gz HWYNXSDTAAUMJJ-UHFFFAOYSA-N 1 2 409.040 3.586 20 30 HHEDLO COc1cc(C#N)ccc1OCCCc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000544955810 1010518720 /nfs/dbraw/zinc/51/87/20/1010518720.db2.gz WMCSPYXJDPHDEM-UHFFFAOYSA-N 1 2 415.453 3.873 20 30 HHEDLO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nnc1-c1ccc(F)cc1 ZINC000551412859 1010570498 /nfs/dbraw/zinc/57/04/98/1010570498.db2.gz NMQXEDPIZNRJAD-UHFFFAOYSA-N 1 2 403.571 3.778 20 30 HHEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccc(Br)cc1 ZINC000551425444 1010579762 /nfs/dbraw/zinc/57/97/62/1010579762.db2.gz IWYUUYXTNVBNIA-CQSZACIVSA-N 1 2 423.380 3.706 20 30 HHEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccc(Br)cc1 ZINC000551425444 1010579766 /nfs/dbraw/zinc/57/97/66/1010579766.db2.gz IWYUUYXTNVBNIA-CQSZACIVSA-N 1 2 423.380 3.706 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000548858187 1010746507 /nfs/dbraw/zinc/74/65/07/1010746507.db2.gz VGOJIUWPXUFGGH-UHFFFAOYSA-N 1 2 414.303 3.673 20 30 HHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3cccc(Br)c3)CC2)cc1 ZINC000545395914 1010772070 /nfs/dbraw/zinc/77/20/70/1010772070.db2.gz KTPDSDKSINLVKG-UHFFFAOYSA-N 1 2 414.303 3.803 20 30 HHEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CCC1 ZINC000522937801 1011381200 /nfs/dbraw/zinc/38/12/00/1011381200.db2.gz ZZZKZJJQPIQCCC-UHFFFAOYSA-N 1 2 410.499 3.661 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c1C ZINC000541085448 1011727373 /nfs/dbraw/zinc/72/73/73/1011727373.db2.gz CQUKTXKCCJAEGY-GXTWGEPZSA-N 1 2 409.412 3.648 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c1C ZINC000541085448 1011727380 /nfs/dbraw/zinc/72/73/80/1011727380.db2.gz CQUKTXKCCJAEGY-GXTWGEPZSA-N 1 2 409.412 3.648 20 30 HHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)n[nH]1 ZINC000541121321 1011776570 /nfs/dbraw/zinc/77/65/70/1011776570.db2.gz CQZSOXKDKPSIKU-UHFFFAOYSA-N 1 2 408.550 3.941 20 30 HHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)[nH]n1 ZINC000541121321 1011776580 /nfs/dbraw/zinc/77/65/80/1011776580.db2.gz CQZSOXKDKPSIKU-UHFFFAOYSA-N 1 2 408.550 3.941 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1Cl ZINC000541127926 1011785678 /nfs/dbraw/zinc/78/56/78/1011785678.db2.gz MGBFVGURZYLEEC-AWEZNQCLSA-N 1 2 411.815 3.703 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1Cl ZINC000541127926 1011785687 /nfs/dbraw/zinc/78/56/87/1011785687.db2.gz MGBFVGURZYLEEC-AWEZNQCLSA-N 1 2 411.815 3.703 20 30 HHEDLO O=C(Cn1nc(C(F)(F)F)c2c[nH+]ccc21)NCc1ccc(F)cc1C(F)(F)F ZINC000536658248 1011806825 /nfs/dbraw/zinc/80/68/25/1011806825.db2.gz XNXYMSQHZXRVAE-UHFFFAOYSA-N 1 2 420.288 3.924 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)CC2)cc1 ZINC000523388700 1011867133 /nfs/dbraw/zinc/86/71/33/1011867133.db2.gz WBDRLEOCWRYRCH-ZEQRLZLVSA-N 1 2 402.542 3.797 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)c1 ZINC000536745260 1011929653 /nfs/dbraw/zinc/92/96/53/1011929653.db2.gz LXOBCZBPEHQAAE-MRXNPFEDSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)c1 ZINC000536745260 1011929660 /nfs/dbraw/zinc/92/96/60/1011929660.db2.gz LXOBCZBPEHQAAE-MRXNPFEDSA-N 1 2 415.375 3.675 20 30 HHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1ccc(C)o1 ZINC000541629609 1012443026 /nfs/dbraw/zinc/44/30/26/1012443026.db2.gz WUTMPISJKFLKGG-NRFANRHFSA-N 1 2 420.513 3.842 20 30 HHEDLO C[C@H]([C@H](C)NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000552483313 1012509811 /nfs/dbraw/zinc/50/98/11/1012509811.db2.gz CXOYONOOUZPYGY-ZWKOTPCHSA-N 1 2 409.555 3.690 20 30 HHEDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cn(-c2ccccc2)nn1 ZINC000541683203 1012519162 /nfs/dbraw/zinc/51/91/62/1012519162.db2.gz JJYCYZYFXIOYFA-DLBZAZTESA-N 1 2 420.542 3.808 20 30 HHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000537170559 1012575598 /nfs/dbraw/zinc/57/55/98/1012575598.db2.gz DHXGICUFNFHABD-GOSISDBHSA-N 1 2 422.504 3.712 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542047612 1012954853 /nfs/dbraw/zinc/95/48/53/1012954853.db2.gz OJOUWQPTDVGCTC-TZIWHRDSSA-N 1 2 416.447 3.952 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542047612 1012954858 /nfs/dbraw/zinc/95/48/58/1012954858.db2.gz OJOUWQPTDVGCTC-TZIWHRDSSA-N 1 2 416.447 3.952 20 30 HHEDLO N#Cc1ccc(N2CCC[C@@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000614969393 1072010388 /nfs/dbraw/zinc/01/03/88/1072010388.db2.gz BOFVLWUYHRSWSI-JOCHJYFZSA-N 1 2 415.497 3.782 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000611815441 1072154457 /nfs/dbraw/zinc/15/44/57/1072154457.db2.gz DSQFEUGOBYORKA-AZUAARDMSA-N 1 2 420.410 3.749 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000611815441 1072154464 /nfs/dbraw/zinc/15/44/64/1072154464.db2.gz DSQFEUGOBYORKA-AZUAARDMSA-N 1 2 420.410 3.749 20 30 HHEDLO CC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587169435 1072517593 /nfs/dbraw/zinc/51/75/93/1072517593.db2.gz SCTDYQPABXTSKR-LJQANCHMSA-N 1 2 411.937 3.878 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)CCCC2)no1 ZINC001126830971 1072701232 /nfs/dbraw/zinc/70/12/32/1072701232.db2.gz QBAOTRODPGQJLF-KRWDZBQOSA-N 1 2 409.534 3.547 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)c1C#N ZINC000479115041 1072751458 /nfs/dbraw/zinc/75/14/58/1072751458.db2.gz JDTNTWKYILLDIB-FQEVSTJZSA-N 1 2 402.498 3.873 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H]2Cc2ccccc2)c1C#N ZINC000479115041 1072751466 /nfs/dbraw/zinc/75/14/66/1072751466.db2.gz JDTNTWKYILLDIB-FQEVSTJZSA-N 1 2 402.498 3.873 20 30 HHEDLO CC[N@@H+]1CC[C@H](N[C@@H](C(=O)OC)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555128562 1073178954 /nfs/dbraw/zinc/17/89/54/1073178954.db2.gz GMTBJQKECUNMHA-HBMCJLEFSA-N 1 2 415.896 3.990 20 30 HHEDLO CC[N@H+]1CC[C@H](N[C@@H](C(=O)OC)c2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555128562 1073178960 /nfs/dbraw/zinc/17/89/60/1073178960.db2.gz GMTBJQKECUNMHA-HBMCJLEFSA-N 1 2 415.896 3.990 20 30 HHEDLO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000555249385 1073280058 /nfs/dbraw/zinc/28/00/58/1073280058.db2.gz LGYMEFJQXUYJNP-UHFFFAOYSA-N 1 2 408.937 3.892 20 30 HHEDLO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000555254510 1073283675 /nfs/dbraw/zinc/28/36/75/1073283675.db2.gz PQVRLTSOEAMARI-UHFFFAOYSA-N 1 2 411.481 3.584 20 30 HHEDLO N#Cc1cccc(OCCCCC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000590545502 1073888800 /nfs/dbraw/zinc/88/88/00/1073888800.db2.gz VTSDUFLHOQJHAY-UHFFFAOYSA-N 1 2 412.559 3.728 20 30 HHEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1COc2ccccc2O1 ZINC000590926418 1074039176 /nfs/dbraw/zinc/03/91/76/1074039176.db2.gz DAECZWNPSNGZSN-IBGZPJMESA-N 1 2 413.905 3.749 20 30 HHEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1COc2ccccc2O1 ZINC000590926418 1074039181 /nfs/dbraw/zinc/03/91/81/1074039181.db2.gz DAECZWNPSNGZSN-IBGZPJMESA-N 1 2 413.905 3.749 20 30 HHEDLO CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000574128178 1075169075 /nfs/dbraw/zinc/16/90/75/1075169075.db2.gz MMXIYZKVDXERHT-YVHKJVDXSA-N 1 2 408.502 3.818 20 30 HHEDLO CC(C)[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574128176 1075169084 /nfs/dbraw/zinc/16/90/84/1075169084.db2.gz MMXIYZKVDXERHT-HYFFOGBASA-N 1 2 408.502 3.818 20 30 HHEDLO CC(C)[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574128176 1075169085 /nfs/dbraw/zinc/16/90/85/1075169085.db2.gz MMXIYZKVDXERHT-HYFFOGBASA-N 1 2 408.502 3.818 20 30 HHEDLO N#CCOc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000303537402 971837736 /nfs/dbraw/zinc/83/77/36/971837736.db2.gz SZPOLORDDSKXRF-LJQANCHMSA-N 1 2 415.896 3.705 20 30 HHEDLO N#CCOc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000303537402 971837741 /nfs/dbraw/zinc/83/77/41/971837741.db2.gz SZPOLORDDSKXRF-LJQANCHMSA-N 1 2 415.896 3.705 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303635170 971915051 /nfs/dbraw/zinc/91/50/51/971915051.db2.gz GCYHZBBHHIXUNY-PGRDOPGGSA-N 1 2 422.504 3.588 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303635170 971915056 /nfs/dbraw/zinc/91/50/56/971915056.db2.gz GCYHZBBHHIXUNY-PGRDOPGGSA-N 1 2 422.504 3.588 20 30 HHEDLO N#Cc1ccc(OCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cc1 ZINC000012131903 962243233 /nfs/dbraw/zinc/24/32/33/962243233.db2.gz ICULJAVONXYXQN-UHFFFAOYSA-N 1 2 405.527 3.906 20 30 HHEDLO C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC[NH+]1CCOCC1 ZINC000022463898 963655714 /nfs/dbraw/zinc/65/57/14/963655714.db2.gz JRKMKZXBEVBIRM-UHFFFAOYSA-N 1 2 413.568 3.735 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3cccc(Br)c3)CC2)cc1 ZINC000022781304 963715389 /nfs/dbraw/zinc/71/53/89/963715389.db2.gz BMTFPXKQZHFIRS-UHFFFAOYSA-N 1 2 400.320 3.517 20 30 HHEDLO N#Cc1c(NC(=O)CC[NH+]2CCN(Cc3cccs3)CC2)sc2c1CCCC2 ZINC000022849076 963728210 /nfs/dbraw/zinc/72/82/10/963728210.db2.gz WHDVPPQCMRAFHW-UHFFFAOYSA-N 1 2 414.600 3.706 20 30 HHEDLO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000024713278 964055787 /nfs/dbraw/zinc/05/57/87/964055787.db2.gz KDAVIZOUXHRJKC-UHFFFAOYSA-N 1 2 411.571 3.752 20 30 HHEDLO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000024713278 964055800 /nfs/dbraw/zinc/05/58/00/964055800.db2.gz KDAVIZOUXHRJKC-UHFFFAOYSA-N 1 2 411.571 3.752 20 30 HHEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000050107713 964267615 /nfs/dbraw/zinc/26/76/15/964267615.db2.gz CYMAFWGHPONPIH-UHFFFAOYSA-N 1 2 418.419 3.935 20 30 HHEDLO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000026901518 964717204 /nfs/dbraw/zinc/71/72/04/964717204.db2.gz XOUBWXCCOJMKBJ-UHFFFAOYSA-N 1 2 415.437 3.988 20 30 HHEDLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000026901518 964717213 /nfs/dbraw/zinc/71/72/13/964717213.db2.gz XOUBWXCCOJMKBJ-UHFFFAOYSA-N 1 2 415.437 3.988 20 30 HHEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000027538159 964915335 /nfs/dbraw/zinc/91/53/35/964915335.db2.gz SRKMEEXSWPOFIT-INIZCTEOSA-N 1 2 416.447 3.722 20 30 HHEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000028155097 965047548 /nfs/dbraw/zinc/04/75/48/965047548.db2.gz XTBQRGJHKDGNAA-SANMLTNESA-N 1 2 416.569 3.642 20 30 HHEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000028155097 965047559 /nfs/dbraw/zinc/04/75/59/965047559.db2.gz XTBQRGJHKDGNAA-SANMLTNESA-N 1 2 416.569 3.642 20 30 HHEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)cc1OC ZINC000053718717 965254620 /nfs/dbraw/zinc/25/46/20/965254620.db2.gz CBOODRGALMBMEX-UHFFFAOYSA-N 1 2 410.514 3.617 20 30 HHEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2=S)CC1 ZINC000029436362 965379210 /nfs/dbraw/zinc/37/92/10/965379210.db2.gz MRVBGUAYWCXGLA-UHFFFAOYSA-N 1 2 423.973 3.932 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538027201 1013598981 /nfs/dbraw/zinc/59/89/81/1013598981.db2.gz IBDMVKASALCEFY-PZJWPPBQSA-N 1 2 401.869 3.681 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538027201 1013598982 /nfs/dbraw/zinc/59/89/82/1013598982.db2.gz IBDMVKASALCEFY-PZJWPPBQSA-N 1 2 401.869 3.681 20 30 HHEDLO N#Cc1cc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000542697684 1013615393 /nfs/dbraw/zinc/61/53/93/1013615393.db2.gz RDJDGNPZINXEJC-UHFFFAOYSA-N 1 2 404.297 3.702 20 30 HHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483435 966165888 /nfs/dbraw/zinc/16/58/88/966165888.db2.gz MRBVDCPHHLJTGN-MRXNPFEDSA-N 1 2 401.938 3.966 20 30 HHEDLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)cc1 ZINC000060893670 966320162 /nfs/dbraw/zinc/32/01/62/966320162.db2.gz ZSEJGPOOEJSMAG-MRXNPFEDSA-N 1 2 406.486 3.510 20 30 HHEDLO C=CCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccc(Cl)s1 ZINC000061758861 966542514 /nfs/dbraw/zinc/54/25/14/966542514.db2.gz BAHRUTPDIRTXFC-UHFFFAOYSA-N 1 2 410.008 3.795 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000063299840 966807026 /nfs/dbraw/zinc/80/70/26/966807026.db2.gz CGQDQRIMVLRQOP-UHFFFAOYSA-N 1 2 403.526 3.754 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000063299840 966807039 /nfs/dbraw/zinc/80/70/39/966807039.db2.gz CGQDQRIMVLRQOP-UHFFFAOYSA-N 1 2 403.526 3.754 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1cccc(C#N)c1 ZINC000063300371 966807472 /nfs/dbraw/zinc/80/74/72/966807472.db2.gz WVGFFERQNULYEB-UHFFFAOYSA-N 1 2 411.889 4.000 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)Cc1cccc(C#N)c1 ZINC000063300371 966807476 /nfs/dbraw/zinc/80/74/76/966807476.db2.gz WVGFFERQNULYEB-UHFFFAOYSA-N 1 2 411.889 4.000 20 30 HHEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC000553890449 1013678471 /nfs/dbraw/zinc/67/84/71/1013678471.db2.gz VGNMKGVXIOZDRF-MRXNPFEDSA-N 1 2 413.319 3.875 20 30 HHEDLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC000553890449 1013678474 /nfs/dbraw/zinc/67/84/74/1013678474.db2.gz VGNMKGVXIOZDRF-MRXNPFEDSA-N 1 2 413.319 3.875 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1cccc(C#N)c1 ZINC000063388257 966838743 /nfs/dbraw/zinc/83/87/43/966838743.db2.gz KQPKCVARRMCZAQ-QHCPKHFHSA-N 1 2 419.525 3.927 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1cccc(C#N)c1 ZINC000063388257 966838758 /nfs/dbraw/zinc/83/87/58/966838758.db2.gz KQPKCVARRMCZAQ-QHCPKHFHSA-N 1 2 419.525 3.927 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000045612004 967516160 /nfs/dbraw/zinc/51/61/60/967516160.db2.gz RVOQDARIRQXKKP-UHFFFAOYSA-N 1 2 407.461 3.646 20 30 HHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000553985946 1013738285 /nfs/dbraw/zinc/73/82/85/1013738285.db2.gz KVIAYZQZGUAXGF-FUHIMQAGSA-N 1 2 402.498 3.673 20 30 HHEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000553985946 1013738295 /nfs/dbraw/zinc/73/82/95/1013738295.db2.gz KVIAYZQZGUAXGF-FUHIMQAGSA-N 1 2 402.498 3.673 20 30 HHEDLO C=C(C)CN(CC)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000046853247 967992361 /nfs/dbraw/zinc/99/23/61/967992361.db2.gz LQCUVMPQFBFVGC-UHFFFAOYSA-N 1 2 411.525 3.655 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000048615901 968624292 /nfs/dbraw/zinc/62/42/92/968624292.db2.gz SMQFGQGZCBYJCN-UXBLZVDNSA-N 1 2 416.569 3.881 20 30 HHEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c2ccccc21 ZINC000065963509 968739843 /nfs/dbraw/zinc/73/98/43/968739843.db2.gz KLSQINTWDFXPLE-UHFFFAOYSA-N 1 2 420.557 3.899 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078714786 969012932 /nfs/dbraw/zinc/01/29/32/969012932.db2.gz BQONFGPRFCUMSS-AZUAARDMSA-N 1 2 424.570 3.961 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078714786 969012938 /nfs/dbraw/zinc/01/29/38/969012938.db2.gz BQONFGPRFCUMSS-AZUAARDMSA-N 1 2 424.570 3.961 20 30 HHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000108979616 969443732 /nfs/dbraw/zinc/44/37/32/969443732.db2.gz UUYUQIKSZMAWRE-HYARGMPZSA-N 1 2 423.582 3.823 20 30 HHEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3CCCC)cc2[nH]c1=S ZINC000109874509 969582903 /nfs/dbraw/zinc/58/29/03/969582903.db2.gz RKNBPTBYOHOJEW-KRWDZBQOSA-N 1 2 414.575 3.629 20 30 HHEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3CCCC)cc2[nH]c1=S ZINC000109874509 969582906 /nfs/dbraw/zinc/58/29/06/969582906.db2.gz RKNBPTBYOHOJEW-KRWDZBQOSA-N 1 2 414.575 3.629 20 30 HHEDLO NC(=NOCc1c(Cl)ccc2cccnc21)c1cccc(C[NH+]2CCOCC2)c1 ZINC000109938994 969598169 /nfs/dbraw/zinc/59/81/69/969598169.db2.gz JCXPZLHPHJTGDG-UHFFFAOYSA-N 1 2 410.905 3.558 20 30 HHEDLO NC(=[NH+]OCc1nnc(-c2ccccc2)o1)c1ccc(OCc2cccnc2)cc1 ZINC000110269860 969645189 /nfs/dbraw/zinc/64/51/89/969645189.db2.gz YTOUVMHXUZDECK-UHFFFAOYSA-N 1 2 401.426 3.548 20 30 HHEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000110981188 969753765 /nfs/dbraw/zinc/75/37/65/969753765.db2.gz SCFRNTKKPFDQOL-UHFFFAOYSA-N 1 2 410.518 3.727 20 30 HHEDLO CCCCn1c(SCC(=O)Nc2sccc2C#N)nnc1[C@H](CC)[NH+](C)C ZINC000195538442 970499664 /nfs/dbraw/zinc/49/96/64/970499664.db2.gz QMWZDYQURIVUIS-AWEZNQCLSA-N 1 2 406.581 3.755 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000261369412 970627996 /nfs/dbraw/zinc/62/79/96/970627996.db2.gz PLDUFQXJJNWNMO-QGZVFWFLSA-N 1 2 412.555 3.952 20 30 HHEDLO Cc1nc(SCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(C#N)c(C)c1C ZINC000409451560 972893463 /nfs/dbraw/zinc/89/34/63/972893463.db2.gz FKCWFWWWFRNVGK-UHFFFAOYSA-N 1 2 409.490 3.612 20 30 HHEDLO Cc1nn(C)c(=O)c(-c2nc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)cs2)c1C ZINC000426363510 974415396 /nfs/dbraw/zinc/41/53/96/974415396.db2.gz BBDFMVXNNYORFW-UHFFFAOYSA-N 1 2 407.543 3.803 20 30 HHEDLO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)cs2)c1C ZINC000426363510 974415400 /nfs/dbraw/zinc/41/54/00/974415400.db2.gz BBDFMVXNNYORFW-UHFFFAOYSA-N 1 2 407.543 3.803 20 30 HHEDLO N#C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000428805673 976085206 /nfs/dbraw/zinc/08/52/06/976085206.db2.gz XAHHHUCGLHLCHU-IBGZPJMESA-N 1 2 403.404 3.532 20 30 HHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000429001288 976280609 /nfs/dbraw/zinc/28/06/09/976280609.db2.gz XOIPSRADTMBWPM-UHFFFAOYSA-N 1 2 424.549 3.524 20 30 HHEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc4c(Br)cccc34)CC2)c1C#N ZINC000429304461 976578442 /nfs/dbraw/zinc/57/84/42/976578442.db2.gz GONYJCAUMPMYAD-UHFFFAOYSA-N 1 2 424.346 3.838 20 30 HHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000429368261 976639661 /nfs/dbraw/zinc/63/96/61/976639661.db2.gz XLEXBKXKTPGQBE-IBGZPJMESA-N 1 2 401.470 3.665 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(SCC#N)c1 ZINC000429800575 977076890 /nfs/dbraw/zinc/07/68/90/977076890.db2.gz JBWVQWPQWKMLQU-LJQANCHMSA-N 1 2 409.555 3.665 20 30 HHEDLO Cn1c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000430174388 977369275 /nfs/dbraw/zinc/36/92/75/977369275.db2.gz VXQISTUDFKNLRR-OAHLLOKOSA-N 1 2 401.392 3.512 20 30 HHEDLO Cn1c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000430174388 977369278 /nfs/dbraw/zinc/36/92/78/977369278.db2.gz VXQISTUDFKNLRR-OAHLLOKOSA-N 1 2 401.392 3.512 20 30 HHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)ccc1Br ZINC000430240185 977412100 /nfs/dbraw/zinc/41/21/00/977412100.db2.gz LPKQGDGGQFIFKC-SFHVURJKSA-N 1 2 403.324 3.550 20 30 HHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)ccc1Br ZINC000430240185 977412106 /nfs/dbraw/zinc/41/21/06/977412106.db2.gz LPKQGDGGQFIFKC-SFHVURJKSA-N 1 2 403.324 3.550 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cccc(SCC#N)c3)CCCC2)no1 ZINC000431032744 977967115 /nfs/dbraw/zinc/96/71/15/977967115.db2.gz LMDXDVQAJXPVMP-UHFFFAOYSA-N 1 2 413.547 3.726 20 30 HHEDLO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000432024373 978651215 /nfs/dbraw/zinc/65/12/15/978651215.db2.gz KRLXBUYTMPDMOA-QGZVFWFLSA-N 1 2 424.570 3.964 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000432876435 978998475 /nfs/dbraw/zinc/99/84/75/978998475.db2.gz JEFYGVBWVNMRAX-UHFFFAOYSA-N 1 2 418.453 3.523 20 30 HHEDLO CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000433913541 979674587 /nfs/dbraw/zinc/67/45/87/979674587.db2.gz DJOOYZSCOLWEQH-UHFFFAOYSA-N 1 2 418.501 3.945 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3NCc3cccnc3)CC2)cc1 ZINC000434220221 979990117 /nfs/dbraw/zinc/99/01/17/979990117.db2.gz ZYEBQLPMWKZRJP-UHFFFAOYSA-N 1 2 411.509 3.523 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434713565 980348811 /nfs/dbraw/zinc/34/88/11/980348811.db2.gz IQPHIPBIYVQQAX-NRFANRHFSA-N 1 2 419.554 3.968 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434713565 980348814 /nfs/dbraw/zinc/34/88/14/980348814.db2.gz IQPHIPBIYVQQAX-NRFANRHFSA-N 1 2 419.554 3.968 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000434854679 980448692 /nfs/dbraw/zinc/44/86/92/980448692.db2.gz WYUPFKZJUJMVBF-AZUAARDMSA-N 1 2 420.444 3.841 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000434854679 980448696 /nfs/dbraw/zinc/44/86/96/980448696.db2.gz WYUPFKZJUJMVBF-AZUAARDMSA-N 1 2 420.444 3.841 20 30 HHEDLO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(-c2cccc(F)c2)no1 ZINC000434981707 980547824 /nfs/dbraw/zinc/54/78/24/980547824.db2.gz LTAMBQQAEFPBJJ-HNNXBMFYSA-N 1 2 417.448 3.899 20 30 HHEDLO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCN1Cc1ccccc1 ZINC000435137405 980668851 /nfs/dbraw/zinc/66/88/51/980668851.db2.gz LHGGUXNVUPHPST-UHFFFAOYSA-N 1 2 414.557 3.955 20 30 HHEDLO CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCN1Cc1ccccc1 ZINC000435137405 980668856 /nfs/dbraw/zinc/66/88/56/980668856.db2.gz LHGGUXNVUPHPST-UHFFFAOYSA-N 1 2 414.557 3.955 20 30 HHEDLO N#Cc1cnc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c(Cl)c1 ZINC000436020333 981160652 /nfs/dbraw/zinc/16/06/52/981160652.db2.gz ZDZNQKMLPCULSC-UHFFFAOYSA-N 1 2 400.269 3.799 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC2)c(F)c1 ZINC000436471705 981392002 /nfs/dbraw/zinc/39/20/02/981392002.db2.gz RXAYRBLWMKRHAA-UHFFFAOYSA-N 1 2 414.912 3.510 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@H](c4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000438063881 982564741 /nfs/dbraw/zinc/56/47/41/982564741.db2.gz ROPYQAZCPOFJTF-XYWHTSSQSA-N 1 2 410.468 3.610 20 30 HHEDLO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000439459942 983419735 /nfs/dbraw/zinc/41/97/35/983419735.db2.gz WTZMISUMWHVMGU-UHFFFAOYSA-N 1 2 411.933 3.887 20 30 HHEDLO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000439459942 983419736 /nfs/dbraw/zinc/41/97/36/983419736.db2.gz WTZMISUMWHVMGU-UHFFFAOYSA-N 1 2 411.933 3.887 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(-c4ccccn4)c3)CC2)cc1 ZINC000440240559 983693441 /nfs/dbraw/zinc/69/34/41/983693441.db2.gz LFKOEXKHUGZPCW-UHFFFAOYSA-N 1 2 411.509 3.648 20 30 HHEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441803501 984464489 /nfs/dbraw/zinc/46/44/89/984464489.db2.gz RYLSTDXNTDDSEL-QFIPXVFZSA-N 1 2 418.497 3.561 20 30 HHEDLO N#Cc1cc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1OC(F)(F)F ZINC000442178298 984700654 /nfs/dbraw/zinc/70/06/54/984700654.db2.gz UUGSWBMADMDBRQ-UHFFFAOYSA-N 1 2 401.348 3.964 20 30 HHEDLO Cc1nc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c(Cl)cc1C#N ZINC000461954076 984948452 /nfs/dbraw/zinc/94/84/52/984948452.db2.gz FRAKIJUZYOIUDA-UHFFFAOYSA-N 1 2 415.328 3.929 20 30 HHEDLO Cc1nc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c(Cl)cc1C#N ZINC000461954076 984948467 /nfs/dbraw/zinc/94/84/67/984948467.db2.gz FRAKIJUZYOIUDA-UHFFFAOYSA-N 1 2 415.328 3.929 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462729510 985676957 /nfs/dbraw/zinc/67/69/57/985676957.db2.gz QWGOWQQLCIEUCK-MRXNPFEDSA-N 1 2 414.531 3.556 20 30 HHEDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nn1-c1cccc(C#N)c1 ZINC000463094838 986053243 /nfs/dbraw/zinc/05/32/43/986053243.db2.gz UCHQNPFZGJLPDS-KRWDZBQOSA-N 1 2 405.527 3.633 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000469066993 986778602 /nfs/dbraw/zinc/77/86/02/986778602.db2.gz YTZJLPNSBKVRHA-INIZCTEOSA-N 1 2 413.905 3.797 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000469112783 986828969 /nfs/dbraw/zinc/82/89/69/986828969.db2.gz XYNNDZQWRQPPCP-OAQYLSRUSA-N 1 2 408.546 3.710 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000469112783 986828980 /nfs/dbraw/zinc/82/89/80/986828980.db2.gz XYNNDZQWRQPPCP-OAQYLSRUSA-N 1 2 408.546 3.710 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000469296185 987011527 /nfs/dbraw/zinc/01/15/27/987011527.db2.gz IWYAGVMGGLEHPX-RXVVDRJESA-N 1 2 408.408 3.667 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000469296185 987011535 /nfs/dbraw/zinc/01/15/35/987011535.db2.gz IWYAGVMGGLEHPX-RXVVDRJESA-N 1 2 408.408 3.667 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000469360165 987059985 /nfs/dbraw/zinc/05/99/85/987059985.db2.gz VBNXGZYEUATFIO-OAQYLSRUSA-N 1 2 415.497 3.769 20 30 HHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469428141 987115734 /nfs/dbraw/zinc/11/57/34/987115734.db2.gz MLVCJRGSHCPENC-IBGZPJMESA-N 1 2 401.514 3.859 20 30 HHEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000469609933 987273123 /nfs/dbraw/zinc/27/31/23/987273123.db2.gz VSFRVTNLMDSLBK-QGZVFWFLSA-N 1 2 417.513 3.640 20 30 HHEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000469609933 987273130 /nfs/dbraw/zinc/27/31/30/987273130.db2.gz VSFRVTNLMDSLBK-QGZVFWFLSA-N 1 2 417.513 3.640 20 30 HHEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](c2ccsc2)O1 ZINC000470218086 988145362 /nfs/dbraw/zinc/14/53/62/988145362.db2.gz LLEFFQBGZMSARZ-DYVFJYSZSA-N 1 2 401.557 3.961 20 30 HHEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](c2ccsc2)O1 ZINC000470218086 988145371 /nfs/dbraw/zinc/14/53/71/988145371.db2.gz LLEFFQBGZMSARZ-DYVFJYSZSA-N 1 2 401.557 3.961 20 30 HHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000464496041 988668646 /nfs/dbraw/zinc/66/86/46/988668646.db2.gz DWKDJOMGYMGUAS-KRWDZBQOSA-N 1 2 405.926 3.640 20 30 HHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000464496041 988668652 /nfs/dbraw/zinc/66/86/52/988668652.db2.gz DWKDJOMGYMGUAS-KRWDZBQOSA-N 1 2 405.926 3.640 20 30 HHEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000464751273 988972733 /nfs/dbraw/zinc/97/27/33/988972733.db2.gz LBDSEGAMKBDNCJ-HNNXBMFYSA-N 1 2 400.504 3.725 20 30 HHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)ccc1O ZINC000471160399 989279603 /nfs/dbraw/zinc/27/96/03/989279603.db2.gz KJJYLBVQJBAVGM-UHFFFAOYSA-N 1 2 410.518 3.876 20 30 HHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)ccc1O ZINC000471160399 989279614 /nfs/dbraw/zinc/27/96/14/989279614.db2.gz KJJYLBVQJBAVGM-UHFFFAOYSA-N 1 2 410.518 3.876 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)C2)n1 ZINC000471779524 989968566 /nfs/dbraw/zinc/96/85/66/989968566.db2.gz IQQNINLPJOTDHU-SFHVURJKSA-N 1 2 424.574 3.559 20 30 HHEDLO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000467030051 992338819 /nfs/dbraw/zinc/33/88/19/992338819.db2.gz CJCUMQAZFKKJCM-HSZRJFAPSA-N 1 2 408.521 3.792 20 30 HHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(C2CCCCC2)no1 ZINC000467037118 992346445 /nfs/dbraw/zinc/34/64/45/992346445.db2.gz ZKVOVSIZBWGCQO-KRWDZBQOSA-N 1 2 422.533 3.577 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000467266143 992588026 /nfs/dbraw/zinc/58/80/26/992588026.db2.gz NOMFTKHPHORYAK-UHFFFAOYSA-N 1 2 401.845 3.794 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(Cl)c1 ZINC000467266143 992588035 /nfs/dbraw/zinc/58/80/35/992588035.db2.gz NOMFTKHPHORYAK-UHFFFAOYSA-N 1 2 401.845 3.794 20 30 HHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(I)c(Br)cc1F ZINC000467484249 992773159 /nfs/dbraw/zinc/77/31/59/992773159.db2.gz GLSLXXWBDQZXGY-VIFPVBQESA-N 1 2 411.056 3.975 20 30 HHEDLO COCCCC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000472459437 993461451 /nfs/dbraw/zinc/46/14/51/993461451.db2.gz ZWMCHUMNUIESIC-DEOSSOPVSA-N 1 2 420.557 3.943 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccs3)C2)sc2c1CCCC2 ZINC000472815130 993752027 /nfs/dbraw/zinc/75/20/27/993752027.db2.gz YUXVOHCLUPBHBH-MRXNPFEDSA-N 1 2 401.557 3.962 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3cccs3)C2)sc2c1CCCC2 ZINC000472815130 993752032 /nfs/dbraw/zinc/75/20/32/993752032.db2.gz YUXVOHCLUPBHBH-MRXNPFEDSA-N 1 2 401.557 3.962 20 30 HHEDLO C=C(C)C[N@@H+](C)CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)OCC)s1 ZINC000481271316 994088948 /nfs/dbraw/zinc/08/89/48/994088948.db2.gz SOFOJTCDFKLUAO-UHFFFAOYSA-N 1 2 401.532 3.669 20 30 HHEDLO C=C(C)C[N@H+](C)CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)OCC)s1 ZINC000481271316 994088958 /nfs/dbraw/zinc/08/89/58/994088958.db2.gz SOFOJTCDFKLUAO-UHFFFAOYSA-N 1 2 401.532 3.669 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(Br)cc3)CC2)cc1 ZINC000482090807 995032257 /nfs/dbraw/zinc/03/22/57/995032257.db2.gz SOHLPWLKAFJBKK-UHFFFAOYSA-N 1 2 412.331 3.598 20 30 HHEDLO N#CC[C@@H](CC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000474288638 995281779 /nfs/dbraw/zinc/28/17/79/995281779.db2.gz CISPDAVRUJKTKA-FQEVSTJZSA-N 1 2 411.933 3.951 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)C2 ZINC000474697654 995638739 /nfs/dbraw/zinc/63/87/39/995638739.db2.gz LYVLWXOPHZIWJF-CXAGYDPISA-N 1 2 401.308 3.782 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)CC2 ZINC000474697654 995638745 /nfs/dbraw/zinc/63/87/45/995638745.db2.gz LYVLWXOPHZIWJF-CXAGYDPISA-N 1 2 401.308 3.782 20 30 HHEDLO Cc1cccc(CC2(O)CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000482946011 995872869 /nfs/dbraw/zinc/87/28/69/995872869.db2.gz JXOOGGXDQYEVEL-KRWDZBQOSA-N 1 2 423.582 3.814 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)C[C@@H](CC#N)c3ccccc3)CCCC2)no1 ZINC000475178211 995975161 /nfs/dbraw/zinc/97/51/61/995975161.db2.gz XVIVSTUMYJCHED-LJQANCHMSA-N 1 2 409.534 3.884 20 30 HHEDLO N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000475258764 996029626 /nfs/dbraw/zinc/02/96/26/996029626.db2.gz MATJVEYSUZEZEP-FQEVSTJZSA-N 1 2 419.872 3.527 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000483261046 996067220 /nfs/dbraw/zinc/06/72/20/996067220.db2.gz KUOVOEVXPARNRI-SFHVURJKSA-N 1 2 404.470 3.559 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000475406883 996120561 /nfs/dbraw/zinc/12/05/61/996120561.db2.gz CJTINGBGVHCWEP-AQYVVDRMSA-N 1 2 408.933 3.985 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)CC2(C#N)CCCCC2)c(C)c1 ZINC000476408997 996868854 /nfs/dbraw/zinc/86/88/54/996868854.db2.gz AMJDUHOFDOINJQ-FQEVSTJZSA-N 1 2 400.548 3.635 20 30 HHEDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(-c2cccc(F)c2)no1 ZINC000485326266 997739640 /nfs/dbraw/zinc/73/96/40/997739640.db2.gz ZQACUPAJTQTLNB-KUHUBIRLSA-N 1 2 405.433 3.594 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000485361470 997785822 /nfs/dbraw/zinc/78/58/22/997785822.db2.gz NLUZVECELOLLNG-PELRDEGISA-N 1 2 421.545 3.646 20 30 HHEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C(=O)c4cc(F)ccc4F)CC3)C2=O)cc1 ZINC000485719324 998188027 /nfs/dbraw/zinc/18/80/27/998188027.db2.gz VAJSKLRQNYUNRX-QFIPXVFZSA-N 1 2 423.463 3.927 20 30 HHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000486500839 998796199 /nfs/dbraw/zinc/79/61/99/998796199.db2.gz GDJVNSBTPQJYDQ-MHECFPHRSA-N 1 2 419.573 3.700 20 30 HHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000486500839 998796203 /nfs/dbraw/zinc/79/62/03/998796203.db2.gz GDJVNSBTPQJYDQ-MHECFPHRSA-N 1 2 419.573 3.700 20 30 HHEDLO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cs2)cc1 ZINC000486873198 998984093 /nfs/dbraw/zinc/98/40/93/998984093.db2.gz KIQIMBQWLAMIMX-OAQYLSRUSA-N 1 2 402.523 3.881 20 30 HHEDLO C=CCC1(C(=O)N2CC[NH+](CCCc3nc(-c4ccc(C)cc4)no3)CC2)CCC1 ZINC000478703151 999097101 /nfs/dbraw/zinc/09/71/01/999097101.db2.gz REBROVNFDVRCLZ-UHFFFAOYSA-N 1 2 408.546 3.868 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000479181139 999313498 /nfs/dbraw/zinc/31/34/98/999313498.db2.gz BMDDFXBDAZUDGE-UHFFFAOYSA-N 1 2 424.570 3.837 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000489036898 999678978 /nfs/dbraw/zinc/67/89/78/999678978.db2.gz GKFKAOKMILDPCA-FQEVSTJZSA-N 1 2 410.493 3.628 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000489036898 999678980 /nfs/dbraw/zinc/67/89/80/999678980.db2.gz GKFKAOKMILDPCA-FQEVSTJZSA-N 1 2 410.493 3.628 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000489036900 999679008 /nfs/dbraw/zinc/67/90/08/999679008.db2.gz GKFKAOKMILDPCA-HXUWFJFHSA-N 1 2 410.493 3.628 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000489036900 999679009 /nfs/dbraw/zinc/67/90/09/999679009.db2.gz GKFKAOKMILDPCA-HXUWFJFHSA-N 1 2 410.493 3.628 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000480017211 999687966 /nfs/dbraw/zinc/68/79/66/999687966.db2.gz SHHOTSLGTKWTLX-GOSISDBHSA-N 1 2 400.530 3.762 20 30 HHEDLO Cc1ccc2c(ncc(C#N)c2N2CCN(c3cc[nH+]c(C)n3)CC2)c1Br ZINC000480119957 999722235 /nfs/dbraw/zinc/72/22/35/999722235.db2.gz MZJQNRBBMVTYKB-UHFFFAOYSA-N 1 2 423.318 3.602 20 30 HHEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491074968 1000042570 /nfs/dbraw/zinc/04/25/70/1000042570.db2.gz GLQXJJCVLLUUSJ-UHFFFAOYSA-N 1 2 414.513 3.617 20 30 HHEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Br)c4cccnc34)CC2)c1 ZINC000491195710 1000054299 /nfs/dbraw/zinc/05/42/99/1000054299.db2.gz YHRZIPALTFJRCT-UHFFFAOYSA-N 1 2 408.303 3.586 20 30 HHEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c(C#N)c1C ZINC000492537615 1000131459 /nfs/dbraw/zinc/13/14/59/1000131459.db2.gz JKKSLWRVEONCRD-UHFFFAOYSA-N 1 2 401.557 3.801 20 30 HHEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(C(=O)OCC)CC2)cc1OC ZINC000505321692 1000700578 /nfs/dbraw/zinc/70/05/78/1000700578.db2.gz XJPCNCSTYADECV-UHFFFAOYSA-N 1 2 412.324 3.798 20 30 HHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1)CCCC2 ZINC000495051502 1000800796 /nfs/dbraw/zinc/80/07/96/1000800796.db2.gz WNENDWQVUIDVIH-UGKGYDQZSA-N 1 2 418.541 3.803 20 30 HHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CC[C@H]1c1ccccc1)CCCC2 ZINC000495051502 1000800803 /nfs/dbraw/zinc/80/08/03/1000800803.db2.gz WNENDWQVUIDVIH-UGKGYDQZSA-N 1 2 418.541 3.803 20 30 HHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1)CCCC2 ZINC000495051500 1000800849 /nfs/dbraw/zinc/80/08/49/1000800849.db2.gz WNENDWQVUIDVIH-SIKLNZKXSA-N 1 2 418.541 3.803 20 30 HHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1)CCCC2 ZINC000495051500 1000800853 /nfs/dbraw/zinc/80/08/53/1000800853.db2.gz WNENDWQVUIDVIH-SIKLNZKXSA-N 1 2 418.541 3.803 20 30 HHEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(C(=O)OC)CC2)cc1OCC ZINC000505840132 1001054326 /nfs/dbraw/zinc/05/43/26/1001054326.db2.gz WUNFBGIGKHUVSY-UHFFFAOYSA-N 1 2 412.324 3.798 20 30 HHEDLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000506057380 1001196725 /nfs/dbraw/zinc/19/67/25/1001196725.db2.gz YYJUYTFBZHYUCE-QGZVFWFLSA-N 1 2 420.513 3.900 20 30 HHEDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000506177179 1001261516 /nfs/dbraw/zinc/26/15/16/1001261516.db2.gz MGHIZOIYYOTEST-UHFFFAOYSA-N 1 2 407.417 3.839 20 30 HHEDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000506177179 1001261522 /nfs/dbraw/zinc/26/15/22/1001261522.db2.gz MGHIZOIYYOTEST-UHFFFAOYSA-N 1 2 407.417 3.839 20 30 HHEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)CC2)s1 ZINC000506500647 1001441554 /nfs/dbraw/zinc/44/15/54/1001441554.db2.gz RHUWSRZRQRJAJV-UHFFFAOYSA-N 1 2 419.554 3.634 20 30 HHEDLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000507086543 1001798923 /nfs/dbraw/zinc/79/89/23/1001798923.db2.gz HNZPEQGGWIMQLI-RBBKRZOGSA-N 1 2 421.451 3.506 20 30 HHEDLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000507086543 1001798930 /nfs/dbraw/zinc/79/89/30/1001798930.db2.gz HNZPEQGGWIMQLI-RBBKRZOGSA-N 1 2 421.451 3.506 20 30 HHEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000499033143 1002410813 /nfs/dbraw/zinc/41/08/13/1002410813.db2.gz YGYNLOOCURKITD-OXQOHEQNSA-N 1 2 413.543 3.693 20 30 HHEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000499033143 1002410820 /nfs/dbraw/zinc/41/08/20/1002410820.db2.gz YGYNLOOCURKITD-OXQOHEQNSA-N 1 2 413.543 3.693 20 30 HHEDLO N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)cc1 ZINC000508115828 1002644981 /nfs/dbraw/zinc/64/49/81/1002644981.db2.gz JOUQIAFBJPHBJD-UHFFFAOYSA-N 1 2 419.460 3.636 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C#N)c1C ZINC000508116874 1002645987 /nfs/dbraw/zinc/64/59/87/1002645987.db2.gz DHWFSDMOIPYSCR-MRXNPFEDSA-N 1 2 423.448 3.775 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C#N)c1C ZINC000508116874 1002645993 /nfs/dbraw/zinc/64/59/93/1002645993.db2.gz DHWFSDMOIPYSCR-MRXNPFEDSA-N 1 2 423.448 3.775 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000508335792 1002838888 /nfs/dbraw/zinc/83/88/88/1002838888.db2.gz YLICBHGAIOZSDQ-LJQANCHMSA-N 1 2 403.526 3.987 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000508335792 1002838902 /nfs/dbraw/zinc/83/89/02/1002838902.db2.gz YLICBHGAIOZSDQ-LJQANCHMSA-N 1 2 403.526 3.987 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000499557067 1002938459 /nfs/dbraw/zinc/93/84/59/1002938459.db2.gz NPHIXHRYJAWYJJ-MOPGFXCFSA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000499557067 1002938466 /nfs/dbraw/zinc/93/84/66/1002938466.db2.gz NPHIXHRYJAWYJJ-MOPGFXCFSA-N 1 2 402.857 3.544 20 30 HHEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000499600682 1002975403 /nfs/dbraw/zinc/97/54/03/1002975403.db2.gz POXRYYVKYYLGJS-QGZVFWFLSA-N 1 2 409.324 3.696 20 30 HHEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000499600682 1002975412 /nfs/dbraw/zinc/97/54/12/1002975412.db2.gz POXRYYVKYYLGJS-QGZVFWFLSA-N 1 2 409.324 3.696 20 30 HHEDLO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000508672544 1003111782 /nfs/dbraw/zinc/11/17/82/1003111782.db2.gz CAMDCUXQPILSKV-UHFFFAOYSA-N 1 2 407.493 3.601 20 30 HHEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000508792143 1003220768 /nfs/dbraw/zinc/22/07/68/1003220768.db2.gz DJGMOEYBMMGXSK-UHFFFAOYSA-N 1 2 413.909 3.708 20 30 HHEDLO C=CCn1c(-c2ccccc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508814428 1003239815 /nfs/dbraw/zinc/23/98/15/1003239815.db2.gz UQOYFLHDYGTLAG-UHFFFAOYSA-N 1 2 417.561 3.988 20 30 HHEDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000499948487 1003270714 /nfs/dbraw/zinc/27/07/14/1003270714.db2.gz BKAUVMLEEOHPLJ-MEBBXXQBSA-N 1 2 407.898 3.551 20 30 HHEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000508921396 1003360779 /nfs/dbraw/zinc/36/07/79/1003360779.db2.gz YOKWIZDAWMSPBR-SFHVURJKSA-N 1 2 404.356 3.808 20 30 HHEDLO Cc1ccc(C#N)c(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)n1 ZINC000500260608 1003588143 /nfs/dbraw/zinc/58/81/43/1003588143.db2.gz HBLVNMPIZVOUOJ-UHFFFAOYSA-N 1 2 402.477 3.735 20 30 HHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC000509331695 1003711979 /nfs/dbraw/zinc/71/19/79/1003711979.db2.gz OTKRMFNHGSZNDK-UHFFFAOYSA-N 1 2 400.385 3.595 20 30 HHEDLO C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000500599456 1003814257 /nfs/dbraw/zinc/81/42/57/1003814257.db2.gz JOEXPXZNPWYQJT-IBGZPJMESA-N 1 2 417.557 3.624 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(COc4ccc(C#N)cc4)c3)n2)C1 ZINC000500871272 1004017804 /nfs/dbraw/zinc/01/78/04/1004017804.db2.gz TZPPYBQOEBDRPZ-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(COc4ccc(C#N)cc4)c3)n2)C1 ZINC000500871272 1004017808 /nfs/dbraw/zinc/01/78/08/1004017808.db2.gz TZPPYBQOEBDRPZ-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000512162526 1004069325 /nfs/dbraw/zinc/06/93/25/1004069325.db2.gz CUZDEMKZCIEGNM-AWEZNQCLSA-N 1 2 407.308 3.940 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000512162526 1004069329 /nfs/dbraw/zinc/06/93/29/1004069329.db2.gz CUZDEMKZCIEGNM-AWEZNQCLSA-N 1 2 407.308 3.940 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000512195101 1004096519 /nfs/dbraw/zinc/09/65/19/1004096519.db2.gz KBKCHKNHSDYZKR-IBGZPJMESA-N 1 2 408.420 3.974 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000512195101 1004096528 /nfs/dbraw/zinc/09/65/28/1004096528.db2.gz KBKCHKNHSDYZKR-IBGZPJMESA-N 1 2 408.420 3.974 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OCCCC#N ZINC000512203526 1004104416 /nfs/dbraw/zinc/10/44/16/1004104416.db2.gz PCOVNORFUNFEQX-UHFFFAOYSA-N 1 2 408.477 3.711 20 30 HHEDLO N#Cc1c(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)sc2c1CCC2 ZINC000512355048 1004241755 /nfs/dbraw/zinc/24/17/55/1004241755.db2.gz PLNZGZSEDPDTPN-UHFFFAOYSA-N 1 2 405.483 3.586 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1Cl ZINC000512569898 1004392003 /nfs/dbraw/zinc/39/20/03/1004392003.db2.gz RCGOCULGFLTMHZ-SFHVURJKSA-N 1 2 417.859 3.674 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1Cl ZINC000512569898 1004392009 /nfs/dbraw/zinc/39/20/09/1004392009.db2.gz RCGOCULGFLTMHZ-SFHVURJKSA-N 1 2 417.859 3.674 20 30 HHEDLO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c([N+](=O)[O-])cc1F ZINC000512816970 1004576781 /nfs/dbraw/zinc/57/67/81/1004576781.db2.gz JLZQWWLZLCCZOI-UHFFFAOYSA-N 1 2 403.385 3.797 20 30 HHEDLO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502184528 1004944504 /nfs/dbraw/zinc/94/45/04/1004944504.db2.gz FEBKLWXNYCBLCS-OAHLLOKOSA-N 1 2 410.905 3.889 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)c1 ZINC000511123139 1005030350 /nfs/dbraw/zinc/03/03/50/1005030350.db2.gz PQIKPRXIJPKOOC-OAQYLSRUSA-N 1 2 404.482 3.894 20 30 HHEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000502540433 1005109815 /nfs/dbraw/zinc/10/98/15/1005109815.db2.gz LWVAZZJRXIRYOY-HNNXBMFYSA-N 1 2 406.442 3.591 20 30 HHEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000502540433 1005109818 /nfs/dbraw/zinc/10/98/18/1005109818.db2.gz LWVAZZJRXIRYOY-HNNXBMFYSA-N 1 2 406.442 3.591 20 30 HHEDLO COc1ccc(CCC2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 ZINC000513784253 1005125151 /nfs/dbraw/zinc/12/51/51/1005125151.db2.gz NRTJLQQGZRTICU-UHFFFAOYSA-N 1 2 412.555 3.685 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000511539112 1005215731 /nfs/dbraw/zinc/21/57/31/1005215731.db2.gz UUQXDEAGILASFV-UHFFFAOYSA-N 1 2 407.905 3.817 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000514209701 1005314609 /nfs/dbraw/zinc/31/46/09/1005314609.db2.gz XDVWBMCCKIMKLR-UHFFFAOYSA-N 1 2 415.603 3.874 20 30 HHEDLO CCC[C@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000514338413 1005338630 /nfs/dbraw/zinc/33/86/30/1005338630.db2.gz VFXICWHBSAJJPT-DEOSSOPVSA-N 1 2 404.558 3.724 20 30 HHEDLO CCC[C@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000514338413 1005338637 /nfs/dbraw/zinc/33/86/37/1005338637.db2.gz VFXICWHBSAJJPT-DEOSSOPVSA-N 1 2 404.558 3.724 20 30 HHEDLO Cc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000504078505 1005548109 /nfs/dbraw/zinc/54/81/09/1005548109.db2.gz VSEQISVJSKSAQA-UHFFFAOYSA-N 1 2 412.453 3.580 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000504363586 1005607475 /nfs/dbraw/zinc/60/74/75/1005607475.db2.gz GYDHPHSLDAAWQZ-XZOQPEGZSA-N 1 2 414.509 3.985 20 30 HHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000534010776 1005978891 /nfs/dbraw/zinc/97/88/91/1005978891.db2.gz VAHLBXFVSUEPNC-FQEVSTJZSA-N 1 2 423.941 3.853 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000534129196 1006105906 /nfs/dbraw/zinc/10/59/06/1006105906.db2.gz UEEBHWUJRBJJGZ-ROUUACIJSA-N 1 2 417.575 3.537 20 30 HHEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3[nH]c(CCCC)[nH+]c3c2)c1 ZINC000531781560 1006422843 /nfs/dbraw/zinc/42/28/43/1006422843.db2.gz OTFSJJDUZHJPQX-UHFFFAOYSA-N 1 2 412.515 3.622 20 30 HHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)Cc1cccc(C#N)c1 ZINC000532153236 1006676217 /nfs/dbraw/zinc/67/62/17/1006676217.db2.gz IOFMWRDHQLZDRA-SFHVURJKSA-N 1 2 407.514 3.749 20 30 HHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)Cc1cccc(C#N)c1 ZINC000532153236 1006676248 /nfs/dbraw/zinc/67/62/48/1006676248.db2.gz IOFMWRDHQLZDRA-SFHVURJKSA-N 1 2 407.514 3.749 20 30 HHEDLO CN(C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)C1(C#N)CCCCC1 ZINC000516197606 1006936031 /nfs/dbraw/zinc/93/60/31/1006936031.db2.gz MEJJYHRHEIJXPW-PKOBYXMFSA-N 1 2 410.345 3.568 20 30 HHEDLO CN(C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O)C1(C#N)CCCCC1 ZINC000516197606 1006936042 /nfs/dbraw/zinc/93/60/42/1006936042.db2.gz MEJJYHRHEIJXPW-PKOBYXMFSA-N 1 2 410.345 3.568 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)ccc1Cl ZINC000532537610 1006973005 /nfs/dbraw/zinc/97/30/05/1006973005.db2.gz IMWVTRBVSDYEHR-GOSISDBHSA-N 1 2 417.859 3.530 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000532625546 1007047126 /nfs/dbraw/zinc/04/71/26/1007047126.db2.gz BOMAJTMLTWUWJQ-KRWDZBQOSA-N 1 2 411.552 3.821 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000532625546 1007047140 /nfs/dbraw/zinc/04/71/40/1007047140.db2.gz BOMAJTMLTWUWJQ-KRWDZBQOSA-N 1 2 411.552 3.821 20 30 HHEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000532666247 1007082418 /nfs/dbraw/zinc/08/24/18/1007082418.db2.gz QKIMNRARMNIRHG-INIZCTEOSA-N 1 2 411.527 3.938 20 30 HHEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000532666247 1007082431 /nfs/dbraw/zinc/08/24/31/1007082431.db2.gz QKIMNRARMNIRHG-INIZCTEOSA-N 1 2 411.527 3.938 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532963505 1007329862 /nfs/dbraw/zinc/32/98/62/1007329862.db2.gz JUIHJZZTVZINPQ-HWDCPHDLSA-N 1 2 409.599 3.982 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000532963910 1007331820 /nfs/dbraw/zinc/33/18/20/1007331820.db2.gz XOCNCQJTQVGGHD-AEVNEEFTSA-N 1 2 420.532 3.792 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533024257 1007384259 /nfs/dbraw/zinc/38/42/59/1007384259.db2.gz ORRDQYBFIIWJQH-GJZGRUSLSA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533024257 1007384274 /nfs/dbraw/zinc/38/42/74/1007384274.db2.gz ORRDQYBFIIWJQH-GJZGRUSLSA-N 1 2 417.575 3.879 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000533295628 1007610685 /nfs/dbraw/zinc/61/06/85/1007610685.db2.gz GLVKMVQQGDLLRQ-FCHUYYIVSA-N 1 2 419.573 3.712 20 30 HHEDLO CSc1[nH]c(=O)c(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)cc1C#N ZINC000539926118 1008187618 /nfs/dbraw/zinc/18/76/18/1008187618.db2.gz NHNHNPXWTOSOKD-UHFFFAOYSA-N 1 2 410.543 3.907 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)cc1 ZINC000540054923 1008261696 /nfs/dbraw/zinc/26/16/96/1008261696.db2.gz DQKYCRGKQAKCHA-INIZCTEOSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)cc1 ZINC000540054923 1008261701 /nfs/dbraw/zinc/26/17/01/1008261701.db2.gz DQKYCRGKQAKCHA-INIZCTEOSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCO[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000540395428 1008414937 /nfs/dbraw/zinc/41/49/37/1008414937.db2.gz RIGIPYGBRNZYBY-FCHUYYIVSA-N 1 2 424.932 3.569 20 30 HHEDLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)ccc2NC1=O ZINC000540459701 1008440444 /nfs/dbraw/zinc/44/04/44/1008440444.db2.gz XVQMKZSLVARUJL-UGSOOPFHSA-N 1 2 403.442 3.569 20 30 HHEDLO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000548951714 1008536760 /nfs/dbraw/zinc/53/67/60/1008536760.db2.gz DFVSSIRXHMULTE-UHFFFAOYSA-N 1 2 412.900 3.641 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000519181053 1008583330 /nfs/dbraw/zinc/58/33/30/1008583330.db2.gz USLOOQRXCLJLJR-ROUUACIJSA-N 1 2 408.502 3.890 20 30 HHEDLO N#CCCN(C(=O)CCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000543095246 1008670396 /nfs/dbraw/zinc/67/03/96/1008670396.db2.gz JQZBSAGDVWCLDJ-UHFFFAOYSA-N 1 2 421.545 3.629 20 30 HHEDLO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000549271903 1008841358 /nfs/dbraw/zinc/84/13/58/1008841358.db2.gz UTRUBNQZAUMONM-UHFFFAOYSA-N 1 2 421.545 3.965 20 30 HHEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549414161 1009002011 /nfs/dbraw/zinc/00/20/11/1009002011.db2.gz VOKOMMYJOVHXOG-GOSISDBHSA-N 1 2 410.949 3.549 20 30 HHEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1cccc(C#N)c1 ZINC000519871084 1009041862 /nfs/dbraw/zinc/04/18/62/1009041862.db2.gz WBELFMBPGMKVQM-RUZDIDTESA-N 1 2 419.525 3.831 20 30 HHEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1cccc(C#N)c1 ZINC000519871084 1009041876 /nfs/dbraw/zinc/04/18/76/1009041876.db2.gz WBELFMBPGMKVQM-RUZDIDTESA-N 1 2 419.525 3.831 20 30 HHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc1C ZINC000543547538 1009147513 /nfs/dbraw/zinc/14/75/13/1009147513.db2.gz YODLPZDHGOFHDE-SKCCSRECSA-N 1 2 420.579 3.598 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000543910304 1009496565 /nfs/dbraw/zinc/49/65/65/1009496565.db2.gz WCFXEYOUCOHFBM-IBGZPJMESA-N 1 2 422.529 3.577 20 30 HHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000550157901 1009739177 /nfs/dbraw/zinc/73/91/77/1009739177.db2.gz IZPKOFXZNSYDBW-PXNSSMCTSA-N 1 2 404.352 3.655 20 30 HHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000550157901 1009739191 /nfs/dbraw/zinc/73/91/91/1009739191.db2.gz IZPKOFXZNSYDBW-PXNSSMCTSA-N 1 2 404.352 3.655 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521883467 1010684260 /nfs/dbraw/zinc/68/42/60/1010684260.db2.gz QOHSYDYOBDBZSW-HXUWFJFHSA-N 1 2 418.484 3.963 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545224488 1010692362 /nfs/dbraw/zinc/69/23/62/1010692362.db2.gz CYJPSCSQBNHTQT-GTNSWQLSSA-N 1 2 403.832 3.564 20 30 HHEDLO Cc1cn2cc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc2[nH+]1 ZINC000522248722 1010887712 /nfs/dbraw/zinc/88/77/12/1010887712.db2.gz CYIFVSJXWOHCQG-UHFFFAOYSA-N 1 2 416.441 3.618 20 30 HHEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cn2c1 ZINC000522271091 1010897247 /nfs/dbraw/zinc/89/72/47/1010897247.db2.gz LOKOOSMVBBLPGR-UHFFFAOYSA-N 1 2 420.538 3.818 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)o2)c1 ZINC000541129184 1011787660 /nfs/dbraw/zinc/78/76/60/1011787660.db2.gz JBZCOQWCZHHXRE-HNNXBMFYSA-N 1 2 402.380 3.661 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)o2)c1 ZINC000541129184 1011787669 /nfs/dbraw/zinc/78/76/69/1011787669.db2.gz JBZCOQWCZHHXRE-HNNXBMFYSA-N 1 2 402.380 3.661 20 30 HHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)N(CCC#N)c1ccccc1 ZINC000541681534 1012516108 /nfs/dbraw/zinc/51/61/08/1012516108.db2.gz GMRQSUBDMSCWHB-JKSUJKDBSA-N 1 2 407.449 3.862 20 30 HHEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1Cl ZINC000537162502 1012562706 /nfs/dbraw/zinc/56/27/06/1012562706.db2.gz GLURKYKRNLNNSR-IBGZPJMESA-N 1 2 416.978 3.632 20 30 HHEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1Cl ZINC000537162502 1012562719 /nfs/dbraw/zinc/56/27/19/1012562719.db2.gz GLURKYKRNLNNSR-IBGZPJMESA-N 1 2 416.978 3.632 20 30 HHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000542027913 1012923608 /nfs/dbraw/zinc/92/36/08/1012923608.db2.gz IOJGDKODHRMJML-UHFFFAOYSA-N 1 2 421.892 3.583 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542047607 1012954415 /nfs/dbraw/zinc/95/44/15/1012954415.db2.gz OJOUWQPTDVGCTC-FPOVZHCZSA-N 1 2 416.447 3.952 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542047607 1012954428 /nfs/dbraw/zinc/95/44/28/1012954428.db2.gz OJOUWQPTDVGCTC-FPOVZHCZSA-N 1 2 416.447 3.952 20 30 HHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000614922486 1071987121 /nfs/dbraw/zinc/98/71/21/1071987121.db2.gz UPRSJASIVKQCIB-KSSFIOAISA-N 1 2 401.404 3.504 20 30 HHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000614922486 1071987126 /nfs/dbraw/zinc/98/71/26/1071987126.db2.gz UPRSJASIVKQCIB-KSSFIOAISA-N 1 2 401.404 3.504 20 30 HHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614924476 1071987789 /nfs/dbraw/zinc/98/77/89/1071987789.db2.gz JUYKSBJAMQDOMK-FXAWDEMLSA-N 1 2 411.468 3.982 20 30 HHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614924476 1071987795 /nfs/dbraw/zinc/98/77/95/1071987795.db2.gz JUYKSBJAMQDOMK-FXAWDEMLSA-N 1 2 411.468 3.982 20 30 HHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1C#N ZINC000611593158 1072141176 /nfs/dbraw/zinc/14/11/76/1072141176.db2.gz DFTJPNBRJBBHPW-UHFFFAOYSA-N 1 2 413.525 3.581 20 30 HHEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000536741018 1072192177 /nfs/dbraw/zinc/19/21/77/1072192177.db2.gz DQTDEANKXIDRLA-KRWDZBQOSA-N 1 2 411.333 3.549 20 30 HHEDLO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000536741018 1072192182 /nfs/dbraw/zinc/19/21/82/1072192182.db2.gz DQTDEANKXIDRLA-KRWDZBQOSA-N 1 2 411.333 3.549 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccc(OC)cc3C3(CC3)C2)cc1 ZINC000571211167 1072596235 /nfs/dbraw/zinc/59/62/35/1072596235.db2.gz CVWTUIGSFIZMEB-UHFFFAOYSA-N 1 2 419.525 3.888 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccc(OC)cc3C3(CC3)C2)cc1 ZINC000571211167 1072596247 /nfs/dbraw/zinc/59/62/47/1072596247.db2.gz CVWTUIGSFIZMEB-UHFFFAOYSA-N 1 2 419.525 3.888 20 30 HHEDLO N#CCCCCCC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000588298002 1073010256 /nfs/dbraw/zinc/01/02/56/1073010256.db2.gz OPOSQUQVFRKJHQ-UHFFFAOYSA-N 1 2 409.509 3.638 20 30 HHEDLO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000555287856 1073310423 /nfs/dbraw/zinc/31/04/23/1073310423.db2.gz RZIVZHOOGMLMRE-UHFFFAOYSA-N 1 2 418.545 3.717 20 30 HHEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000590615045 1073941591 /nfs/dbraw/zinc/94/15/91/1073941591.db2.gz JGJKNVPGQPFPDQ-UHFFFAOYSA-N 1 2 418.585 3.548 20 30 HHEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000590615045 1073941598 /nfs/dbraw/zinc/94/15/98/1073941598.db2.gz JGJKNVPGQPFPDQ-UHFFFAOYSA-N 1 2 418.585 3.548 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000573501518 1074529718 /nfs/dbraw/zinc/52/97/18/1074529718.db2.gz SFUNQHQQXSJQQX-UHFFFAOYSA-N 1 2 413.485 3.513 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213548 1075544579 /nfs/dbraw/zinc/54/45/79/1075544579.db2.gz VLRVYFHUZQQBNI-KRWDZBQOSA-N 1 2 401.474 3.770 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213548 1075544583 /nfs/dbraw/zinc/54/45/83/1075544583.db2.gz VLRVYFHUZQQBNI-KRWDZBQOSA-N 1 2 401.474 3.770 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(CC#N)ccn1)CC2 ZINC001164658879 719352121 /nfs/dbraw/zinc/35/21/21/719352121.db2.gz KVRMLMNBTNMXQL-UHFFFAOYSA-N 1 2 412.541 3.842 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(CC#N)ccn1)CC2 ZINC001164658879 719352124 /nfs/dbraw/zinc/35/21/24/719352124.db2.gz KVRMLMNBTNMXQL-UHFFFAOYSA-N 1 2 412.541 3.842 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)c(OC)c1OC ZINC000301271798 970843339 /nfs/dbraw/zinc/84/33/39/970843339.db2.gz KIWAUWOTCSHCLY-UHFFFAOYSA-N 1 2 401.894 3.560 20 30 HHEDLO N#Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301362048 970886899 /nfs/dbraw/zinc/88/68/99/970886899.db2.gz QMXJXVPLXVVTAU-UHFFFAOYSA-N 1 2 407.861 3.990 20 30 HHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000553115766 1013079495 /nfs/dbraw/zinc/07/94/95/1013079495.db2.gz BGSUWENYDLZVCQ-UHFFFAOYSA-N 1 2 418.545 4.393 20 30 HHEDLO N#CCOc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000303537401 971837627 /nfs/dbraw/zinc/83/76/27/971837627.db2.gz SZPOLORDDSKXRF-IBGZPJMESA-N 1 2 415.896 3.705 20 30 HHEDLO N#CCOc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000303537401 971837629 /nfs/dbraw/zinc/83/76/29/971837629.db2.gz SZPOLORDDSKXRF-IBGZPJMESA-N 1 2 415.896 3.705 20 30 HHEDLO C=CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000553317495 1013268458 /nfs/dbraw/zinc/26/84/58/1013268458.db2.gz WRZYYRFFZBQGPA-AWEZNQCLSA-N 1 2 421.892 3.714 20 30 HHEDLO C=CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000553317495 1013268469 /nfs/dbraw/zinc/26/84/69/1013268469.db2.gz WRZYYRFFZBQGPA-AWEZNQCLSA-N 1 2 421.892 3.714 20 30 HHEDLO N#Cc1ccc(OCC[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000016565778 963065661 /nfs/dbraw/zinc/06/56/61/963065661.db2.gz PXCWGSDGMDBDRU-UHFFFAOYSA-N 1 2 410.827 3.826 20 30 HHEDLO CC(C)C[C@@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000023257897 963789470 /nfs/dbraw/zinc/78/94/70/963789470.db2.gz FFBGCQJOBLKTPW-XMMPIXPASA-N 1 2 404.558 3.579 20 30 HHEDLO N#Cc1ccc(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000048981772 964103459 /nfs/dbraw/zinc/10/34/59/964103459.db2.gz JURIZBQHDSQURD-LJQANCHMSA-N 1 2 400.885 3.987 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026328017 964526270 /nfs/dbraw/zinc/52/62/70/964526270.db2.gz GTAASAXLKBRALL-UHFFFAOYSA-N 1 2 411.509 3.967 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026328017 964526283 /nfs/dbraw/zinc/52/62/83/964526283.db2.gz GTAASAXLKBRALL-UHFFFAOYSA-N 1 2 411.509 3.967 20 30 HHEDLO C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccccc1N1CCOCC1 ZINC000052103254 964808738 /nfs/dbraw/zinc/80/87/38/964808738.db2.gz MJEZAWVCOOICOW-UHFFFAOYSA-N 1 2 412.515 3.960 20 30 HHEDLO C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccccc1N1CCOCC1 ZINC000052103254 964808745 /nfs/dbraw/zinc/80/87/45/964808745.db2.gz MJEZAWVCOOICOW-UHFFFAOYSA-N 1 2 412.515 3.960 20 30 HHEDLO O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)Nc1nc(-c2cccs2)cs1 ZINC000052328485 964874212 /nfs/dbraw/zinc/87/42/12/964874212.db2.gz UDYZUBMLHGFENH-UHFFFAOYSA-N 1 2 404.561 3.794 20 30 HHEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801025 964987282 /nfs/dbraw/zinc/98/72/82/964987282.db2.gz MUXOTGAQAYRJIG-INIZCTEOSA-N 1 2 412.921 3.760 20 30 HHEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801025 964987293 /nfs/dbraw/zinc/98/72/93/964987293.db2.gz MUXOTGAQAYRJIG-INIZCTEOSA-N 1 2 412.921 3.760 20 30 HHEDLO N#Cc1cccc(OCCSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000053266325 965110021 /nfs/dbraw/zinc/11/00/21/965110021.db2.gz NRJIKRFAHXMJGJ-UHFFFAOYSA-N 1 2 405.527 3.906 20 30 HHEDLO COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057045378 965262784 /nfs/dbraw/zinc/26/27/84/965262784.db2.gz NYLDUDKNMBFZGT-QFIPXVFZSA-N 1 2 403.526 3.721 20 30 HHEDLO C[C@@H]1CN(CCOC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000538045038 1013618108 /nfs/dbraw/zinc/61/81/08/1013618108.db2.gz JYFKJOGPFASHPO-RTBURBONSA-N 1 2 424.507 3.647 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054301 1013629032 /nfs/dbraw/zinc/62/90/32/1013629032.db2.gz PZJLXBLGAADEBC-UXHICEINSA-N 1 2 400.885 3.985 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054301 1013629043 /nfs/dbraw/zinc/62/90/43/1013629043.db2.gz PZJLXBLGAADEBC-UXHICEINSA-N 1 2 400.885 3.985 20 30 HHEDLO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032425020 966249910 /nfs/dbraw/zinc/24/99/10/966249910.db2.gz UVOVOCRQPPUNHR-QFIPXVFZSA-N 1 2 411.505 3.856 20 30 HHEDLO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032425020 966249917 /nfs/dbraw/zinc/24/99/17/966249917.db2.gz UVOVOCRQPPUNHR-QFIPXVFZSA-N 1 2 411.505 3.856 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)CC2)cc1 ZINC000056804654 966472821 /nfs/dbraw/zinc/47/28/21/966472821.db2.gz REDRKEMYUOAQBZ-HXUWFJFHSA-N 1 2 410.905 3.563 20 30 HHEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CCCC2)no1 ZINC000063511363 966880393 /nfs/dbraw/zinc/88/03/93/966880393.db2.gz ARAYIRUECONCFU-UHFFFAOYSA-N 1 2 413.547 3.968 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000063754323 966947891 /nfs/dbraw/zinc/94/78/91/966947891.db2.gz YCNAVRURGDZVHZ-UHFFFAOYSA-N 1 2 402.838 3.856 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000063754323 966947895 /nfs/dbraw/zinc/94/78/95/966947895.db2.gz YCNAVRURGDZVHZ-UHFFFAOYSA-N 1 2 402.838 3.856 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000553922263 1013703260 /nfs/dbraw/zinc/70/32/60/1013703260.db2.gz KLCIBJJZLUEQIY-LBPRGKRZSA-N 1 2 413.425 3.663 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000553922263 1013703269 /nfs/dbraw/zinc/70/32/69/1013703269.db2.gz KLCIBJJZLUEQIY-LBPRGKRZSA-N 1 2 413.425 3.663 20 30 HHEDLO COc1ccc(OC(F)F)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000047921125 968364401 /nfs/dbraw/zinc/36/44/01/968364401.db2.gz OVOXIZGUBCGXSR-UHFFFAOYSA-N 1 2 416.428 3.518 20 30 HHEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000072001947 968925566 /nfs/dbraw/zinc/92/55/66/968925566.db2.gz SSHSVYHBDPPPQR-UHFFFAOYSA-N 1 2 401.510 3.856 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)Cc1ccc(OC)cc1 ZINC000109574823 969536169 /nfs/dbraw/zinc/53/61/69/969536169.db2.gz ZUJNRNMCLFHTHH-BGYRXZFFSA-N 1 2 423.557 3.936 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)Cc1ccc(OC)cc1 ZINC000109574823 969536173 /nfs/dbraw/zinc/53/61/73/969536173.db2.gz ZUJNRNMCLFHTHH-BGYRXZFFSA-N 1 2 423.557 3.936 20 30 HHEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cc1C ZINC000110271208 969646097 /nfs/dbraw/zinc/64/60/97/969646097.db2.gz FUXIQCKCDRSILM-UHFFFAOYSA-N 1 2 404.470 3.553 20 30 HHEDLO Cc1cccc(OC(F)F)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000111119890 969780723 /nfs/dbraw/zinc/78/07/23/969780723.db2.gz SKKFKWZZVCNULB-UHFFFAOYSA-N 1 2 400.429 3.818 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000213883567 970041549 /nfs/dbraw/zinc/04/15/49/970041549.db2.gz KSDRCBFGONCAIW-DTDSUUGDSA-N 1 2 402.542 3.653 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000554558395 1013977179 /nfs/dbraw/zinc/97/71/79/1013977179.db2.gz VBRZAHIYCAXJEU-UHFFFAOYSA-N 1 2 400.276 3.630 20 30 HHEDLO N#Cc1cccc(COc2cccc(CNc3ccc(N4CCOCC4)c[nH+]3)c2)c1 ZINC000237856007 970382412 /nfs/dbraw/zinc/38/24/12/970382412.db2.gz KWJOTRXFKKBOPO-UHFFFAOYSA-N 1 2 400.482 3.981 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426203238 974309846 /nfs/dbraw/zinc/30/98/46/974309846.db2.gz YYGMAPOKFQFNOO-JKSUJKDBSA-N 1 2 403.548 3.540 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426203238 974309856 /nfs/dbraw/zinc/30/98/56/974309856.db2.gz YYGMAPOKFQFNOO-JKSUJKDBSA-N 1 2 403.548 3.540 20 30 HHEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)c(C#N)c1C ZINC000426443996 974452230 /nfs/dbraw/zinc/45/22/30/974452230.db2.gz GRYKVJJKPYOLHE-UHFFFAOYSA-N 1 2 424.570 3.512 20 30 HHEDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)cc1F ZINC000427884602 975332541 /nfs/dbraw/zinc/33/25/41/975332541.db2.gz IYSRNBIWNANMHQ-YVEFUNNKSA-N 1 2 417.282 3.701 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429236246 976527575 /nfs/dbraw/zinc/52/75/75/976527575.db2.gz LSPJRJZYPJJEQU-RDJZCZTQSA-N 1 2 401.576 3.964 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429236246 976527587 /nfs/dbraw/zinc/52/75/87/976527587.db2.gz LSPJRJZYPJJEQU-RDJZCZTQSA-N 1 2 401.576 3.964 20 30 HHEDLO CC(C)n1cnnc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429282031 976566061 /nfs/dbraw/zinc/56/60/61/976566061.db2.gz YZXBZRNXHAKYOU-UHFFFAOYSA-N 1 2 400.552 3.522 20 30 HHEDLO CC(C)n1cnnc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429282031 976566073 /nfs/dbraw/zinc/56/60/73/976566073.db2.gz YZXBZRNXHAKYOU-UHFFFAOYSA-N 1 2 400.552 3.522 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000429357560 976624506 /nfs/dbraw/zinc/62/45/06/976624506.db2.gz OEQAUFLVFWGPKZ-KRWDZBQOSA-N 1 2 403.442 3.692 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429526739 976785512 /nfs/dbraw/zinc/78/55/12/976785512.db2.gz IJXOMBRHXWJXNJ-HNNXBMFYSA-N 1 2 411.575 3.880 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(Oc3ncccc3C)CC2)c1 ZINC000429724548 977014793 /nfs/dbraw/zinc/01/47/93/977014793.db2.gz MYUPFRWPXSMYQP-UHFFFAOYSA-N 1 2 406.530 3.797 20 30 HHEDLO Cc1sc(NC(=O)C[N@H+](CCc2ccccn2)Cc2cccnc2)c(C#N)c1C ZINC000430353736 977497562 /nfs/dbraw/zinc/49/75/62/977497562.db2.gz OKYVLGAXHIHTGO-UHFFFAOYSA-N 1 2 405.527 3.710 20 30 HHEDLO Cc1sc(NC(=O)C[N@@H+](CCc2ccccn2)Cc2cccnc2)c(C#N)c1C ZINC000430353736 977497568 /nfs/dbraw/zinc/49/75/68/977497568.db2.gz OKYVLGAXHIHTGO-UHFFFAOYSA-N 1 2 405.527 3.710 20 30 HHEDLO N#CCC1(CNC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC000431198663 978088735 /nfs/dbraw/zinc/08/87/35/978088735.db2.gz PTDDDUQYIFBKAM-UHFFFAOYSA-N 1 2 403.889 3.971 20 30 HHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000432468445 978829832 /nfs/dbraw/zinc/82/98/32/978829832.db2.gz IRJKNSOFOCFZQH-UHFFFAOYSA-N 1 2 417.469 3.581 20 30 HHEDLO Cc1nc([C@@](C)([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C2CC2)no1 ZINC000433294527 979220781 /nfs/dbraw/zinc/22/07/81/979220781.db2.gz MNAIBOWACPIQEG-NRFANRHFSA-N 1 2 413.547 3.824 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433355541 979254618 /nfs/dbraw/zinc/25/46/18/979254618.db2.gz WPZBFOUDUSGATL-QPPBQGQZSA-N 1 2 405.542 3.508 20 30 HHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000433952360 979711122 /nfs/dbraw/zinc/71/11/22/979711122.db2.gz FGUZWMROALUXOU-RKRRMPDFSA-N 1 2 412.578 3.965 20 30 HHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000433952360 979711129 /nfs/dbraw/zinc/71/11/29/979711129.db2.gz FGUZWMROALUXOU-RKRRMPDFSA-N 1 2 412.578 3.965 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434374367 980121558 /nfs/dbraw/zinc/12/15/58/980121558.db2.gz SAFTVJHKDXPCPV-OALUTQOASA-N 1 2 406.530 3.648 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(C#N)c1C ZINC000434773977 980391552 /nfs/dbraw/zinc/39/15/52/980391552.db2.gz HOAKBMUSOZJTHB-FUHWJXTLSA-N 1 2 408.285 3.604 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(C#N)c1C ZINC000434773977 980391561 /nfs/dbraw/zinc/39/15/61/980391561.db2.gz HOAKBMUSOZJTHB-FUHWJXTLSA-N 1 2 408.285 3.604 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000434853952 980448169 /nfs/dbraw/zinc/44/81/69/980448169.db2.gz CJGVHJOCRXHTIW-JOCHJYFZSA-N 1 2 406.461 3.866 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000434853952 980448173 /nfs/dbraw/zinc/44/81/73/980448173.db2.gz CJGVHJOCRXHTIW-JOCHJYFZSA-N 1 2 406.461 3.866 20 30 HHEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435123457 980655785 /nfs/dbraw/zinc/65/57/85/980655785.db2.gz GUWPSJDBCPOSEH-UHFFFAOYSA-N 1 2 408.893 3.583 20 30 HHEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435123457 980655789 /nfs/dbraw/zinc/65/57/89/980655789.db2.gz GUWPSJDBCPOSEH-UHFFFAOYSA-N 1 2 408.893 3.583 20 30 HHEDLO CC(C)Oc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1C#N ZINC000435444038 980866759 /nfs/dbraw/zinc/86/67/59/980866759.db2.gz URGZQUUQYKXMKA-UHFFFAOYSA-N 1 2 417.469 3.823 20 30 HHEDLO COc1cc(-c2noc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)n2)ccc1C ZINC000436221711 981256757 /nfs/dbraw/zinc/25/67/57/981256757.db2.gz QKPILYVMEWNDMB-UHFFFAOYSA-N 1 2 404.470 3.969 20 30 HHEDLO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000460377542 982155541 /nfs/dbraw/zinc/15/55/41/982155541.db2.gz UDJDSCSDMXTMDO-IRLDBZIGSA-N 1 2 419.529 3.512 20 30 HHEDLO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000460377542 982155547 /nfs/dbraw/zinc/15/55/47/982155547.db2.gz UDJDSCSDMXTMDO-IRLDBZIGSA-N 1 2 419.529 3.512 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000437980939 982504710 /nfs/dbraw/zinc/50/47/10/982504710.db2.gz AXQCESFZDMALDQ-QUCCMNQESA-N 1 2 402.926 3.730 20 30 HHEDLO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460774262 982526876 /nfs/dbraw/zinc/52/68/76/982526876.db2.gz XISVKCHIHYTTBI-FQEVSTJZSA-N 1 2 410.566 3.844 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000438069279 982569124 /nfs/dbraw/zinc/56/91/24/982569124.db2.gz BPCBFIZRNPPOKV-QZTJIDSGSA-N 1 2 402.564 3.657 20 30 HHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000438550867 982890435 /nfs/dbraw/zinc/89/04/35/982890435.db2.gz CVYSFBMCPUSKDY-QFBILLFUSA-N 1 2 404.297 3.935 20 30 HHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000438550867 982890451 /nfs/dbraw/zinc/89/04/51/982890451.db2.gz CVYSFBMCPUSKDY-QFBILLFUSA-N 1 2 404.297 3.935 20 30 HHEDLO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000438671311 982990007 /nfs/dbraw/zinc/99/00/07/982990007.db2.gz YKBSTARLVJYDHJ-CVEARBPZSA-N 1 2 412.465 3.720 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cc1 ZINC000438836013 983105359 /nfs/dbraw/zinc/10/53/59/983105359.db2.gz DQKLHHBZQXCZHX-QHCPKHFHSA-N 1 2 406.530 3.958 20 30 HHEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)c2c1 ZINC000439110622 983254667 /nfs/dbraw/zinc/25/46/67/983254667.db2.gz ZYLDQMVKOVBAMB-NRFANRHFSA-N 1 2 418.497 3.609 20 30 HHEDLO CCCc1c(NC(=O)NCCCNc2cccc[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000439665610 983491375 /nfs/dbraw/zinc/49/13/75/983491375.db2.gz SNGXQGJOIVVDGT-UHFFFAOYSA-N 1 2 403.490 3.715 20 30 HHEDLO CCCc1c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cnn1-c1cccc(C#N)c1 ZINC000439682917 983499727 /nfs/dbraw/zinc/49/97/27/983499727.db2.gz RMFDHGNLVRGLRD-QGZVFWFLSA-N 1 2 403.490 3.831 20 30 HHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000440607409 983814092 /nfs/dbraw/zinc/81/40/92/983814092.db2.gz ASFIOJPSDXZKMD-XMMPIXPASA-N 1 2 414.509 3.592 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000440930147 983984838 /nfs/dbraw/zinc/98/48/38/983984838.db2.gz AUXZVLVWHKNWLA-QGZVFWFLSA-N 1 2 408.502 3.704 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC)[C@H](C)C1 ZINC000440930147 983984842 /nfs/dbraw/zinc/98/48/42/983984842.db2.gz AUXZVLVWHKNWLA-QGZVFWFLSA-N 1 2 408.502 3.704 20 30 HHEDLO N#CCCN(C(=O)C[NH+]1CCC(c2noc(C3CC3)n2)CC1)c1cccc(Cl)c1 ZINC000462233194 985214981 /nfs/dbraw/zinc/21/49/81/985214981.db2.gz CHUJGHIBBXXCPU-UHFFFAOYSA-N 1 2 413.909 3.727 20 30 HHEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000462572665 985520359 /nfs/dbraw/zinc/52/03/59/985520359.db2.gz KIPMRWGNFHDNHC-ZDUSSCGKSA-N 1 2 420.416 3.802 20 30 HHEDLO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccccc2OC)cc1 ZINC000443455141 985624039 /nfs/dbraw/zinc/62/40/39/985624039.db2.gz QALOUXWQEAVWTB-XMMPIXPASA-N 1 2 401.466 3.893 20 30 HHEDLO COc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccccc2OC)cc1 ZINC000443462794 985636300 /nfs/dbraw/zinc/63/63/00/985636300.db2.gz IDPAGUBILNOLKK-DEOSSOPVSA-N 1 2 401.466 3.893 20 30 HHEDLO COc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccccc2OC)cc1 ZINC000443462796 985636419 /nfs/dbraw/zinc/63/64/19/985636419.db2.gz IDPAGUBILNOLKK-XMMPIXPASA-N 1 2 401.466 3.893 20 30 HHEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Br)s1 ZINC000463284885 986251756 /nfs/dbraw/zinc/25/17/56/986251756.db2.gz XIJHVORPBBJZSE-AWEZNQCLSA-N 1 2 418.360 3.830 20 30 HHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](c1ccccc1)C2 ZINC000468752659 986466831 /nfs/dbraw/zinc/46/68/31/986466831.db2.gz ADYQWPOQGCTUQJ-VWLOTQADSA-N 1 2 411.505 3.983 20 30 HHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](c1ccccc1)C2 ZINC000468752659 986466834 /nfs/dbraw/zinc/46/68/34/986466834.db2.gz ADYQWPOQGCTUQJ-VWLOTQADSA-N 1 2 411.505 3.983 20 30 HHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)s2)cc1 ZINC000469123989 986842882 /nfs/dbraw/zinc/84/28/82/986842882.db2.gz YVHGMOFYMQPZKX-SFHVURJKSA-N 1 2 405.483 3.686 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469453505 987139607 /nfs/dbraw/zinc/13/96/07/987139607.db2.gz ZQQNXQZLXHVLRV-UHFFFAOYSA-N 1 2 404.482 3.565 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000469506959 987184417 /nfs/dbraw/zinc/18/44/17/987184417.db2.gz PYINZQFUIOVLPH-WIYYLYMNSA-N 1 2 407.518 3.812 20 30 HHEDLO CCCc1c(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cnn1-c1cccc(C#N)c1 ZINC000445164949 987251894 /nfs/dbraw/zinc/25/18/94/987251894.db2.gz MLQVJFPKVBXCAM-GOSISDBHSA-N 1 2 417.517 3.841 20 30 HHEDLO C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000470537535 988543243 /nfs/dbraw/zinc/54/32/43/988543243.db2.gz LRYMPHPHHIMCGK-UWJYYQICSA-N 1 2 420.517 3.581 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470931247 989002156 /nfs/dbraw/zinc/00/21/56/989002156.db2.gz KBOZQGQTBFIGQL-PBHICJAKSA-N 1 2 408.424 3.829 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470931247 989002162 /nfs/dbraw/zinc/00/21/62/989002162.db2.gz KBOZQGQTBFIGQL-PBHICJAKSA-N 1 2 408.424 3.829 20 30 HHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCS1 ZINC000464792626 989024325 /nfs/dbraw/zinc/02/43/25/989024325.db2.gz XBYDCMUIJHOOOX-LJQANCHMSA-N 1 2 414.550 3.930 20 30 HHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCS1 ZINC000464792626 989024338 /nfs/dbraw/zinc/02/43/38/989024338.db2.gz XBYDCMUIJHOOOX-LJQANCHMSA-N 1 2 414.550 3.930 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000470992465 989056652 /nfs/dbraw/zinc/05/66/52/989056652.db2.gz HYJBSWDSPJKRPR-ZWKOTPCHSA-N 1 2 416.543 3.543 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000470992465 989056659 /nfs/dbraw/zinc/05/66/59/989056659.db2.gz HYJBSWDSPJKRPR-ZWKOTPCHSA-N 1 2 416.543 3.543 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)c1C#N ZINC000464821326 989058660 /nfs/dbraw/zinc/05/86/60/989058660.db2.gz HDKNGRFMSQYIGA-UHFFFAOYSA-N 1 2 424.520 3.934 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000464914866 989193356 /nfs/dbraw/zinc/19/33/56/989193356.db2.gz VUOMBUVLFCGHLP-UHFFFAOYSA-N 1 2 422.577 3.506 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000465623151 990008790 /nfs/dbraw/zinc/00/87/90/990008790.db2.gz BZSQFARJIXCURS-RPWUZVMVSA-N 1 2 418.541 3.500 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471935462 990100922 /nfs/dbraw/zinc/10/09/22/990100922.db2.gz SAXWMIXYPHNHKO-PKOBYXMFSA-N 1 2 418.904 3.855 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471935462 990100925 /nfs/dbraw/zinc/10/09/25/990100925.db2.gz SAXWMIXYPHNHKO-PKOBYXMFSA-N 1 2 418.904 3.855 20 30 HHEDLO N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000465880243 991000046 /nfs/dbraw/zinc/00/00/46/991000046.db2.gz RZWFBYORPZRFGV-SFHVURJKSA-N 1 2 418.875 3.954 20 30 HHEDLO N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000465880243 991000055 /nfs/dbraw/zinc/00/00/55/991000055.db2.gz RZWFBYORPZRFGV-SFHVURJKSA-N 1 2 418.875 3.954 20 30 HHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)c1 ZINC000466606171 991923139 /nfs/dbraw/zinc/92/31/39/991923139.db2.gz GKIOJJPDVHUQIA-SFHVURJKSA-N 1 2 423.517 3.683 20 30 HHEDLO N#Cc1cccc(CCNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000466814354 992123477 /nfs/dbraw/zinc/12/34/77/992123477.db2.gz JDOZBWZMTPIJNQ-UHFFFAOYSA-N 1 2 407.905 3.863 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(-c4cccnc4)cc3)CC2)cc1 ZINC000466950731 992260850 /nfs/dbraw/zinc/26/08/50/992260850.db2.gz KEJNFMZNFLAUEU-UHFFFAOYSA-N 1 2 411.509 3.648 20 30 HHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccccn1 ZINC000466969760 992281681 /nfs/dbraw/zinc/28/16/81/992281681.db2.gz SWGNFYWEZLNYAL-UHFFFAOYSA-N 1 2 417.513 3.830 20 30 HHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccccn1 ZINC000466969760 992281693 /nfs/dbraw/zinc/28/16/93/992281693.db2.gz SWGNFYWEZLNYAL-UHFFFAOYSA-N 1 2 417.513 3.830 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000467185847 992508462 /nfs/dbraw/zinc/50/84/62/992508462.db2.gz IBWLTRFCMFUETQ-DEOSSOPVSA-N 1 2 413.525 3.907 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000467185847 992508467 /nfs/dbraw/zinc/50/84/67/992508467.db2.gz IBWLTRFCMFUETQ-DEOSSOPVSA-N 1 2 413.525 3.907 20 30 HHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472149931 993203975 /nfs/dbraw/zinc/20/39/75/993203975.db2.gz DHBHSAOXDNEHDC-SFHVURJKSA-N 1 2 402.340 3.636 20 30 HHEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472329512 993338414 /nfs/dbraw/zinc/33/84/14/993338414.db2.gz SSIVVIIFYBTALE-ZHRRBRCNSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472329512 993338419 /nfs/dbraw/zinc/33/84/19/993338419.db2.gz SSIVVIIFYBTALE-ZHRRBRCNSA-N 1 2 403.461 3.905 20 30 HHEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000473576408 994446475 /nfs/dbraw/zinc/44/64/75/994446475.db2.gz KPDVNMGIWRTSFJ-OAQYLSRUSA-N 1 2 405.889 3.548 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000473967709 994950090 /nfs/dbraw/zinc/95/00/90/994950090.db2.gz GRYBLKRPCITQGP-FGZHOGPDSA-N 1 2 415.497 3.849 20 30 HHEDLO COc1cccc(OCC[NH+]2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000483022115 995924621 /nfs/dbraw/zinc/92/46/21/995924621.db2.gz JILUIROSYOCOGT-UHFFFAOYSA-N 1 2 422.529 3.725 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(=O)OC)[C@H](C)C2)cc1OC ZINC000475361822 996090502 /nfs/dbraw/zinc/09/05/02/996090502.db2.gz KOQLZPIIPAGULV-UKRRQHHQSA-N 1 2 412.324 3.654 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H](C)C2)cc1OC ZINC000475361822 996090508 /nfs/dbraw/zinc/09/05/08/996090508.db2.gz KOQLZPIIPAGULV-UKRRQHHQSA-N 1 2 412.324 3.654 20 30 HHEDLO C=C(C)COc1cc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)ccc1OC ZINC000475430200 996133099 /nfs/dbraw/zinc/13/30/99/996133099.db2.gz VLKKNCXHDAVLIW-IBGZPJMESA-N 1 2 419.319 3.729 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475609156 996245259 /nfs/dbraw/zinc/24/52/59/996245259.db2.gz QEVCBSILPAQUCX-URXFXBBRSA-N 1 2 405.542 3.823 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)CC2(C#N)CCCCC2)c(C)c1 ZINC000476408998 996868550 /nfs/dbraw/zinc/86/85/50/996868550.db2.gz AMJDUHOFDOINJQ-HXUWFJFHSA-N 1 2 400.548 3.635 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000476410973 996871023 /nfs/dbraw/zinc/87/10/23/996871023.db2.gz FSCZGJASOCITAZ-LJQANCHMSA-N 1 2 414.918 3.745 20 30 HHEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)cc1F ZINC000485299463 997703689 /nfs/dbraw/zinc/70/36/89/997703689.db2.gz GIFCBMVTABRBBQ-QRWLVFNGSA-N 1 2 419.460 3.902 20 30 HHEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(C(=O)c4cc(F)ccc4F)CC3)C2=O)cc1 ZINC000485719323 998187953 /nfs/dbraw/zinc/18/79/53/998187953.db2.gz VAJSKLRQNYUNRX-JOCHJYFZSA-N 1 2 423.463 3.927 20 30 HHEDLO C[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000487373269 999151247 /nfs/dbraw/zinc/15/12/47/999151247.db2.gz OYIZHJDTBPJAOQ-CVDCTZTESA-N 1 2 408.521 3.888 20 30 HHEDLO N#CCCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)c1ccccc1 ZINC000487432288 999174943 /nfs/dbraw/zinc/17/49/43/999174943.db2.gz VKMRKZHBQIVAMG-FGZHOGPDSA-N 1 2 421.545 3.569 20 30 HHEDLO N#CCCC[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)c1ccccc1 ZINC000487432288 999174948 /nfs/dbraw/zinc/17/49/48/999174948.db2.gz VKMRKZHBQIVAMG-FGZHOGPDSA-N 1 2 421.545 3.569 20 30 HHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000478967078 999226634 /nfs/dbraw/zinc/22/66/34/999226634.db2.gz RNFYZOZHXODNMJ-SFHVURJKSA-N 1 2 401.507 3.995 20 30 HHEDLO Cc1sc(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000478967078 999226638 /nfs/dbraw/zinc/22/66/38/999226638.db2.gz RNFYZOZHXODNMJ-SFHVURJKSA-N 1 2 401.507 3.995 20 30 HHEDLO Cc1cc(N2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)nc(C(C)C)[nH+]1 ZINC000488186243 999406796 /nfs/dbraw/zinc/40/67/96/999406796.db2.gz XCDHYYKBAXLPII-UHFFFAOYSA-N 1 2 408.456 3.933 20 30 HHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)C1=O ZINC000490028546 999880781 /nfs/dbraw/zinc/88/07/81/999880781.db2.gz DMVLYSFBEOPQKA-WBVHZDCISA-N 1 2 412.584 3.940 20 30 HHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)C1=O ZINC000490028546 999880783 /nfs/dbraw/zinc/88/07/83/999880783.db2.gz DMVLYSFBEOPQKA-WBVHZDCISA-N 1 2 412.584 3.940 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236010 999917646 /nfs/dbraw/zinc/91/76/46/999917646.db2.gz BVCNGGVQZXVPFI-FGZHOGPDSA-N 1 2 410.468 3.979 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236010 999917648 /nfs/dbraw/zinc/91/76/48/999917648.db2.gz BVCNGGVQZXVPFI-FGZHOGPDSA-N 1 2 410.468 3.979 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Br)c4cccnc34)CC2)nc1 ZINC000491167257 1000051737 /nfs/dbraw/zinc/05/17/37/1000051737.db2.gz LVMVAGMZAAOYDM-UHFFFAOYSA-N 1 2 408.303 3.586 20 30 HHEDLO COc1cccc([C@H](C)N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491238450 1000057608 /nfs/dbraw/zinc/05/76/08/1000057608.db2.gz GZMKWWKOUXVVOI-IBGZPJMESA-N 1 2 415.541 3.846 20 30 HHEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Br)c(F)c1 ZINC000494245574 1000385258 /nfs/dbraw/zinc/38/52/58/1000385258.db2.gz SIHPFFUDUOVLDL-UHFFFAOYSA-N 1 2 404.283 3.967 20 30 HHEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Br)c(F)c1 ZINC000494245574 1000385262 /nfs/dbraw/zinc/38/52/62/1000385262.db2.gz SIHPFFUDUOVLDL-UHFFFAOYSA-N 1 2 404.283 3.967 20 30 HHEDLO N#Cc1cccc(NCC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000494564649 1000557068 /nfs/dbraw/zinc/55/70/68/1000557068.db2.gz LUIMUGNIIPZFKL-IBGZPJMESA-N 1 2 400.885 3.716 20 30 HHEDLO CC(C)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1ccco1 ZINC000494837851 1000687449 /nfs/dbraw/zinc/68/74/49/1000687449.db2.gz RLCAZXOSCMMGKB-LJQANCHMSA-N 1 2 424.545 3.860 20 30 HHEDLO CC(C)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1ccco1 ZINC000494837851 1000687455 /nfs/dbraw/zinc/68/74/55/1000687455.db2.gz RLCAZXOSCMMGKB-LJQANCHMSA-N 1 2 424.545 3.860 20 30 HHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)c1 ZINC000505494939 1000824689 /nfs/dbraw/zinc/82/46/89/1000824689.db2.gz OUKSUJMPZIBKEQ-CYFREDJKSA-N 1 2 421.541 3.876 20 30 HHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)c1 ZINC000505494943 1000825164 /nfs/dbraw/zinc/82/51/64/1000825164.db2.gz OUKSUJMPZIBKEQ-YADARESESA-N 1 2 421.541 3.876 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@@H]([C@H](C)O)C3)sc2C1 ZINC000506018594 1001166765 /nfs/dbraw/zinc/16/67/65/1001166765.db2.gz XXESYRMOLZJMFT-ARFHVFGLSA-N 1 2 403.592 3.802 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@@H]([C@H](C)O)C3)sc2C1 ZINC000506018594 1001166767 /nfs/dbraw/zinc/16/67/67/1001166767.db2.gz XXESYRMOLZJMFT-ARFHVFGLSA-N 1 2 403.592 3.802 20 30 HHEDLO COc1ccc(C(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c2ccc(OC)cc2)cc1 ZINC000506023009 1001170250 /nfs/dbraw/zinc/17/02/50/1001170250.db2.gz QZLWOWNIPAVRIL-UHFFFAOYSA-N 1 2 407.514 3.535 20 30 HHEDLO N#CCCn1cc(C[NH+]2CCN(CCOc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000506098021 1001219031 /nfs/dbraw/zinc/21/90/31/1001219031.db2.gz CLDFBLKJXONWTD-UHFFFAOYSA-N 1 2 415.541 3.660 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1I ZINC000506470669 1001426973 /nfs/dbraw/zinc/42/69/73/1001426973.db2.gz MZYXOMGQZDUVCK-KRWDZBQOSA-N 1 2 410.299 3.629 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506470669 1001426976 /nfs/dbraw/zinc/42/69/76/1001426976.db2.gz MZYXOMGQZDUVCK-KRWDZBQOSA-N 1 2 410.299 3.629 20 30 HHEDLO N#CCCn1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(-c2ccccc2)n1 ZINC000506557738 1001458915 /nfs/dbraw/zinc/45/89/15/1001458915.db2.gz YQDGRJNTBCWVDJ-UHFFFAOYSA-N 1 2 403.505 3.921 20 30 HHEDLO C=CCNc1ncc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000497977326 1001587840 /nfs/dbraw/zinc/58/78/40/1001587840.db2.gz ZAJBXQCDGVBGBD-WMZOPIPTSA-N 1 2 406.502 3.973 20 30 HHEDLO C=CCNc1ncc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000497977326 1001587843 /nfs/dbraw/zinc/58/78/43/1001587843.db2.gz ZAJBXQCDGVBGBD-WMZOPIPTSA-N 1 2 406.502 3.973 20 30 HHEDLO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507305861 1001986901 /nfs/dbraw/zinc/98/69/01/1001986901.db2.gz OZCGOIMCIBVWJC-UHFFFAOYSA-N 1 2 408.521 3.647 20 30 HHEDLO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507817770 1002364160 /nfs/dbraw/zinc/36/41/60/1002364160.db2.gz GNQLBOPJAHNCNS-QGZVFWFLSA-N 1 2 407.539 3.929 20 30 HHEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000499020415 1002396630 /nfs/dbraw/zinc/39/66/30/1002396630.db2.gz JSVAJCVVCJFUAH-OXQOHEQNSA-N 1 2 413.543 3.551 20 30 HHEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000499020415 1002396635 /nfs/dbraw/zinc/39/66/35/1002396635.db2.gz JSVAJCVVCJFUAH-OXQOHEQNSA-N 1 2 413.543 3.551 20 30 HHEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000499033138 1002410549 /nfs/dbraw/zinc/41/05/49/1002410549.db2.gz YGYNLOOCURKITD-JXFKEZNVSA-N 1 2 413.543 3.693 20 30 HHEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000499033138 1002410553 /nfs/dbraw/zinc/41/05/53/1002410553.db2.gz YGYNLOOCURKITD-JXFKEZNVSA-N 1 2 413.543 3.693 20 30 HHEDLO N#Cc1ccc(OC2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)cc1 ZINC000508157392 1002695049 /nfs/dbraw/zinc/69/50/49/1002695049.db2.gz DCIXFWQPKAGNSK-UHFFFAOYSA-N 1 2 419.529 3.697 20 30 HHEDLO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508476559 1002961069 /nfs/dbraw/zinc/96/10/69/1002961069.db2.gz FHZWQRBJHBHWQW-UHFFFAOYSA-N 1 2 417.966 3.879 20 30 HHEDLO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508882509 1003304680 /nfs/dbraw/zinc/30/46/80/1003304680.db2.gz YLVKBEDDILGYSV-IBGZPJMESA-N 1 2 421.545 3.526 20 30 HHEDLO N#Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cnc1C(F)(F)F ZINC000509229328 1003640536 /nfs/dbraw/zinc/64/05/36/1003640536.db2.gz YKRXPYLVLHKFJR-UHFFFAOYSA-N 1 2 403.408 3.525 20 30 HHEDLO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000509344909 1003719733 /nfs/dbraw/zinc/71/97/33/1003719733.db2.gz VRCWGFLZSQCDOB-UHFFFAOYSA-N 1 2 411.889 3.849 20 30 HHEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000500599047 1003812884 /nfs/dbraw/zinc/81/28/84/1003812884.db2.gz ILZQXJYMTUDIKO-MOXWOTFGSA-N 1 2 419.573 3.558 20 30 HHEDLO C[N@H+](CCc1nc(-c2ccccc2)no1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000512178778 1004081330 /nfs/dbraw/zinc/08/13/30/1004081330.db2.gz KHBZXFFAOYTWKS-UHFFFAOYSA-N 1 2 413.481 3.962 20 30 HHEDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000512178778 1004081338 /nfs/dbraw/zinc/08/13/38/1004081338.db2.gz KHBZXFFAOYTWKS-UHFFFAOYSA-N 1 2 413.481 3.962 20 30 HHEDLO C[N@H+](CCc1nc(-c2ccccc2)no1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000512181299 1004083142 /nfs/dbraw/zinc/08/31/42/1004083142.db2.gz PPOWNPXSKJNDPI-UHFFFAOYSA-N 1 2 423.904 3.811 20 30 HHEDLO C[N@@H+](CCc1nc(-c2ccccc2)no1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000512181299 1004083152 /nfs/dbraw/zinc/08/31/52/1004083152.db2.gz PPOWNPXSKJNDPI-UHFFFAOYSA-N 1 2 423.904 3.811 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1Cl ZINC000510405280 1004542354 /nfs/dbraw/zinc/54/23/54/1004542354.db2.gz ZNDMATCOHWBXDG-IBGZPJMESA-N 1 2 415.902 3.614 20 30 HHEDLO N#CC1(CS(=O)(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)CCCCC1 ZINC000510429869 1004560885 /nfs/dbraw/zinc/56/08/85/1004560885.db2.gz LMYOYWSJLNWMSU-LJQANCHMSA-N 1 2 401.532 3.504 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512812020 1004573917 /nfs/dbraw/zinc/57/39/17/1004573917.db2.gz OLGHNKUYMWFKJF-HNNXBMFYSA-N 1 2 420.435 3.605 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512812020 1004573924 /nfs/dbraw/zinc/57/39/24/1004573924.db2.gz OLGHNKUYMWFKJF-HNNXBMFYSA-N 1 2 420.435 3.605 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512817857 1004577967 /nfs/dbraw/zinc/57/79/67/1004577967.db2.gz NUYIUNSHZGXCER-ZDUSSCGKSA-N 1 2 403.404 3.846 20 30 HHEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000501860379 1004782434 /nfs/dbraw/zinc/78/24/34/1004782434.db2.gz QIMPKVKXASDNCL-YDIMBITNSA-N 1 2 418.541 3.791 20 30 HHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3F)CC2)c1 ZINC000502200979 1004954553 /nfs/dbraw/zinc/95/45/53/1004954553.db2.gz ZMSRWDZDPHVZSE-UHFFFAOYSA-N 1 2 414.868 3.640 20 30 HHEDLO N#Cc1ccccc1OCc1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000513498461 1004991389 /nfs/dbraw/zinc/99/13/89/1004991389.db2.gz ILLMANXJJQIJQK-UHFFFAOYSA-N 1 2 412.493 3.931 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000511389344 1005152838 /nfs/dbraw/zinc/15/28/38/1005152838.db2.gz BWPBSUJJLCJKQD-LADGPHEKSA-N 1 2 418.541 3.553 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503413212 1005412668 /nfs/dbraw/zinc/41/26/68/1005412668.db2.gz XVCGLYZVWGAHKE-MRXNPFEDSA-N 1 2 420.582 3.963 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503583293 1005458580 /nfs/dbraw/zinc/45/85/80/1005458580.db2.gz ODDJZRPPQHQSMU-SFHVURJKSA-N 1 2 412.509 3.580 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503583293 1005458583 /nfs/dbraw/zinc/45/85/83/1005458583.db2.gz ODDJZRPPQHQSMU-SFHVURJKSA-N 1 2 412.509 3.580 20 30 HHEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000503795209 1005494275 /nfs/dbraw/zinc/49/42/75/1005494275.db2.gz CBWFKQNTWOVHGS-WMZOPIPTSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000503795209 1005494277 /nfs/dbraw/zinc/49/42/77/1005494277.db2.gz CBWFKQNTWOVHGS-WMZOPIPTSA-N 1 2 410.326 3.589 20 30 HHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)c1C#N ZINC000514760371 1006113431 /nfs/dbraw/zinc/11/34/31/1006113431.db2.gz KYEJUWDJZLTCOP-UHFFFAOYSA-N 1 2 417.538 3.898 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000532115188 1006649013 /nfs/dbraw/zinc/64/90/13/1006649013.db2.gz ZTAMSRIMNFISOQ-PMACEKPBSA-N 1 2 416.529 3.870 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)ccc1Cl ZINC000532537611 1006973628 /nfs/dbraw/zinc/97/36/28/1006973628.db2.gz IMWVTRBVSDYEHR-SFHVURJKSA-N 1 2 417.859 3.530 20 30 HHEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560971 1006994231 /nfs/dbraw/zinc/99/42/31/1006994231.db2.gz WNCPOYOGUGAAPP-MRXNPFEDSA-N 1 2 405.527 3.707 20 30 HHEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560971 1006994240 /nfs/dbraw/zinc/99/42/40/1006994240.db2.gz WNCPOYOGUGAAPP-MRXNPFEDSA-N 1 2 405.527 3.707 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000538897252 1007177287 /nfs/dbraw/zinc/17/72/87/1007177287.db2.gz YVYJHZXUEVQKGQ-UHFFFAOYSA-N 1 2 406.505 3.547 20 30 HHEDLO C[N@H+](CCCc1cc(-c2ccccc2)no1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532828057 1007211963 /nfs/dbraw/zinc/21/19/63/1007211963.db2.gz VOWBETAWHIQYAC-UHFFFAOYSA-N 1 2 409.511 3.552 20 30 HHEDLO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000532828057 1007211971 /nfs/dbraw/zinc/21/19/71/1007211971.db2.gz VOWBETAWHIQYAC-UHFFFAOYSA-N 1 2 409.511 3.552 20 30 HHEDLO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000538956549 1007244013 /nfs/dbraw/zinc/24/40/13/1007244013.db2.gz QJKQUBKOFNRAQW-SFHVURJKSA-N 1 2 400.320 3.909 20 30 HHEDLO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000538956549 1007244020 /nfs/dbraw/zinc/24/40/20/1007244020.db2.gz QJKQUBKOFNRAQW-SFHVURJKSA-N 1 2 400.320 3.909 20 30 HHEDLO COCC[N@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000532944733 1007315227 /nfs/dbraw/zinc/31/52/27/1007315227.db2.gz XLYUMAYVPUXUDA-SFHVURJKSA-N 1 2 405.498 3.972 20 30 HHEDLO COCC[N@@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000532944733 1007315241 /nfs/dbraw/zinc/31/52/41/1007315241.db2.gz XLYUMAYVPUXUDA-SFHVURJKSA-N 1 2 405.498 3.972 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000532961507 1007330143 /nfs/dbraw/zinc/33/01/43/1007330143.db2.gz POFMGXRPPKQJAL-IBGZPJMESA-N 1 2 417.619 3.766 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000532961507 1007330158 /nfs/dbraw/zinc/33/01/58/1007330158.db2.gz POFMGXRPPKQJAL-IBGZPJMESA-N 1 2 417.619 3.766 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532963911 1007331366 /nfs/dbraw/zinc/33/13/66/1007331366.db2.gz XOCNCQJTQVGGHD-BHQIVLKMSA-N 1 2 420.532 3.792 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c1C#N ZINC000533017282 1007378917 /nfs/dbraw/zinc/37/89/17/1007378917.db2.gz QFJLSDJYXTZXGL-UHFFFAOYSA-N 1 2 412.509 3.933 20 30 HHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000533024678 1007385567 /nfs/dbraw/zinc/38/55/67/1007385567.db2.gz CONCIAMQUCGIBN-MRXNPFEDSA-N 1 2 403.548 3.685 20 30 HHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000533024678 1007385578 /nfs/dbraw/zinc/38/55/78/1007385578.db2.gz CONCIAMQUCGIBN-MRXNPFEDSA-N 1 2 403.548 3.685 20 30 HHEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000517129504 1007442517 /nfs/dbraw/zinc/44/25/17/1007442517.db2.gz KEGUFHZWLLQECK-IBGZPJMESA-N 1 2 422.529 3.632 20 30 HHEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533169862 1007509615 /nfs/dbraw/zinc/50/96/15/1007509615.db2.gz IALMXQOKDMZAQN-VQTJNVASSA-N 1 2 400.885 3.938 20 30 HHEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533169862 1007509625 /nfs/dbraw/zinc/50/96/25/1007509625.db2.gz IALMXQOKDMZAQN-VQTJNVASSA-N 1 2 400.885 3.938 20 30 HHEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533169863 1007509947 /nfs/dbraw/zinc/50/99/47/1007509947.db2.gz IALMXQOKDMZAQN-WOJBJXKFSA-N 1 2 400.885 3.938 20 30 HHEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533169863 1007509952 /nfs/dbraw/zinc/50/99/52/1007509952.db2.gz IALMXQOKDMZAQN-WOJBJXKFSA-N 1 2 400.885 3.938 20 30 HHEDLO COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533292810 1007607405 /nfs/dbraw/zinc/60/74/05/1007607405.db2.gz XBGKTFONGXKNJF-INIZCTEOSA-N 1 2 419.591 3.733 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539362521 1007664637 /nfs/dbraw/zinc/66/46/37/1007664637.db2.gz SNJGGGJRXVPSQQ-QFBILLFUSA-N 1 2 416.978 3.803 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539362521 1007664648 /nfs/dbraw/zinc/66/46/48/1007664648.db2.gz SNJGGGJRXVPSQQ-QFBILLFUSA-N 1 2 416.978 3.803 20 30 HHEDLO C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533424528 1007732316 /nfs/dbraw/zinc/73/23/16/1007732316.db2.gz ABAJVXIBZXQRDE-QGZVFWFLSA-N 1 2 407.539 3.929 20 30 HHEDLO Cc1noc(C)c1C[NH+](CCC(=O)Nc1ccccc1C#N)Cc1c(C)noc1C ZINC000533438775 1007753710 /nfs/dbraw/zinc/75/37/10/1007753710.db2.gz PUQWFCMJEUUWEZ-UHFFFAOYSA-N 1 2 407.474 3.799 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000533606796 1007905520 /nfs/dbraw/zinc/90/55/20/1007905520.db2.gz XTGXFRZUCBNPCZ-NRFANRHFSA-N 1 2 411.914 3.760 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540231397 1008345924 /nfs/dbraw/zinc/34/59/24/1008345924.db2.gz ZICXBNDBFKSJOF-NQIIRXRSSA-N 1 2 401.869 3.681 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540231397 1008345928 /nfs/dbraw/zinc/34/59/28/1008345928.db2.gz ZICXBNDBFKSJOF-NQIIRXRSSA-N 1 2 401.869 3.681 20 30 HHEDLO Cc1sc2nc([C@@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000540296184 1008370867 /nfs/dbraw/zinc/37/08/67/1008370867.db2.gz LVWWLWNSLACQQD-OAHLLOKOSA-N 1 2 406.559 3.641 20 30 HHEDLO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nc(-c2nc[nH]n2)no1 ZINC000518629760 1008371999 /nfs/dbraw/zinc/37/19/99/1008371999.db2.gz VVJDORXVTTUDQT-AWEZNQCLSA-N 1 2 405.384 3.622 20 30 HHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935494 1008479087 /nfs/dbraw/zinc/47/90/87/1008479087.db2.gz ISWHPUDAMFGLKB-DNVCBOLYSA-N 1 2 415.896 3.899 20 30 HHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935494 1008479092 /nfs/dbraw/zinc/47/90/92/1008479092.db2.gz ISWHPUDAMFGLKB-DNVCBOLYSA-N 1 2 415.896 3.899 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000519213329 1008618828 /nfs/dbraw/zinc/61/88/28/1008618828.db2.gz RLXFCZJZEYSHHY-LJQANCHMSA-N 1 2 410.587 3.517 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000519213327 1008618984 /nfs/dbraw/zinc/61/89/84/1008618984.db2.gz RLXFCZJZEYSHHY-IBGZPJMESA-N 1 2 410.587 3.517 20 30 HHEDLO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000549071747 1008637575 /nfs/dbraw/zinc/63/75/75/1008637575.db2.gz FXFDHHSKVXVSBR-UHFFFAOYSA-N 1 2 406.921 3.812 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000549115342 1008680771 /nfs/dbraw/zinc/68/07/71/1008680771.db2.gz GHYFNAVAKIYXIO-QGZVFWFLSA-N 1 2 417.550 3.621 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000549150798 1008719774 /nfs/dbraw/zinc/71/97/74/1008719774.db2.gz PWRNCRVGAHTWHC-UHFFFAOYSA-N 1 2 412.896 3.816 20 30 HHEDLO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000549258363 1008829200 /nfs/dbraw/zinc/82/92/00/1008829200.db2.gz ZYDKLIYJGMDFER-UHFFFAOYSA-N 1 2 422.964 3.816 20 30 HHEDLO Cc1ccc(C[NH+]2CCSCC2)cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000545859554 1008947088 /nfs/dbraw/zinc/94/70/88/1008947088.db2.gz LNBZIPCVOOCMBK-UHFFFAOYSA-N 1 2 421.975 3.870 20 30 HHEDLO C[C@@H]([NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000543547375 1009146126 /nfs/dbraw/zinc/14/61/26/1009146126.db2.gz PRNLBRTVKOSPIV-YZEMWESSSA-N 1 2 413.497 3.846 20 30 HHEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC000520462452 1009572074 /nfs/dbraw/zinc/57/20/74/1009572074.db2.gz QPWQRSRKSPMHSV-SFHVURJKSA-N 1 2 419.525 3.886 20 30 HHEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC000520462452 1009572087 /nfs/dbraw/zinc/57/20/87/1009572087.db2.gz QPWQRSRKSPMHSV-SFHVURJKSA-N 1 2 419.525 3.886 20 30 HHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000550157902 1009739445 /nfs/dbraw/zinc/73/94/45/1009739445.db2.gz IZPKOFXZNSYDBW-XLIONFOSSA-N 1 2 404.352 3.655 20 30 HHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000550157902 1009739463 /nfs/dbraw/zinc/73/94/63/1009739463.db2.gz IZPKOFXZNSYDBW-XLIONFOSSA-N 1 2 404.352 3.655 20 30 HHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000550157899 1009739664 /nfs/dbraw/zinc/73/96/64/1009739664.db2.gz IZPKOFXZNSYDBW-FXAWDEMLSA-N 1 2 404.352 3.655 20 30 HHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000550157899 1009739673 /nfs/dbraw/zinc/73/96/73/1009739673.db2.gz IZPKOFXZNSYDBW-FXAWDEMLSA-N 1 2 404.352 3.655 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNc3ccc([N+](=O)[O-])cc3C#N)[nH+]c12 ZINC000544702417 1010312606 /nfs/dbraw/zinc/31/26/06/1010312606.db2.gz QCCQGDOPUWTQME-UHFFFAOYSA-N 1 2 400.236 3.840 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000544760167 1010359267 /nfs/dbraw/zinc/35/92/67/1010359267.db2.gz PCGFODQAMXMTJK-UHFFFAOYSA-N 1 2 424.520 3.605 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000544760167 1010359270 /nfs/dbraw/zinc/35/92/70/1010359270.db2.gz PCGFODQAMXMTJK-UHFFFAOYSA-N 1 2 424.520 3.605 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000548615422 1010683109 /nfs/dbraw/zinc/68/31/09/1010683109.db2.gz YUCWSCLTEOPGQL-OALUTQOASA-N 1 2 404.297 3.667 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000548615422 1010683119 /nfs/dbraw/zinc/68/31/19/1010683119.db2.gz YUCWSCLTEOPGQL-OALUTQOASA-N 1 2 404.297 3.667 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000548865352 1010747671 /nfs/dbraw/zinc/74/76/71/1010747671.db2.gz CCRLFAQDOMKTRI-SFHVURJKSA-N 1 2 414.431 3.763 20 30 HHEDLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)sc2C1 ZINC000522399757 1010981913 /nfs/dbraw/zinc/98/19/13/1010981913.db2.gz XFVIBDNOFZUYIT-UHFFFAOYSA-N 1 2 404.495 3.834 20 30 HHEDLO C[N@H+]1CCc2nc(NC(=O)c3cccc(COc4cccc(C#N)c4)c3)sc2C1 ZINC000522399757 1010981918 /nfs/dbraw/zinc/98/19/18/1010981918.db2.gz XFVIBDNOFZUYIT-UHFFFAOYSA-N 1 2 404.495 3.834 20 30 HHEDLO C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1c(F)cccc1Cl ZINC000540592696 1011249470 /nfs/dbraw/zinc/24/94/70/1011249470.db2.gz QXMQCSQTZGHQEZ-RHSMWYFYSA-N 1 2 420.941 3.600 20 30 HHEDLO CC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](C)CS(=O)(=O)CC ZINC000536676696 1011838288 /nfs/dbraw/zinc/83/82/88/1011838288.db2.gz MLMOMNOQAZZKPH-GOSISDBHSA-N 1 2 400.544 3.782 20 30 HHEDLO CC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](C)CS(=O)(=O)CC ZINC000536676696 1011838292 /nfs/dbraw/zinc/83/82/92/1011838292.db2.gz MLMOMNOQAZZKPH-GOSISDBHSA-N 1 2 400.544 3.782 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000523388698 1011866807 /nfs/dbraw/zinc/86/68/07/1011866807.db2.gz WBDRLEOCWRYRCH-DNQXCXABSA-N 1 2 402.542 3.797 20 30 HHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000536733588 1011907515 /nfs/dbraw/zinc/90/75/15/1011907515.db2.gz DNYFEOQVXPCJCJ-UXHICEINSA-N 1 2 408.521 3.840 20 30 HHEDLO Cc1c(Cl)cnc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c1C#N ZINC000541278019 1011969956 /nfs/dbraw/zinc/96/99/56/1011969956.db2.gz IQQVQQBMRBDVBK-UHFFFAOYSA-N 1 2 415.328 3.929 20 30 HHEDLO Cc1c(Cl)cnc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c1C#N ZINC000541278019 1011969963 /nfs/dbraw/zinc/96/99/63/1011969963.db2.gz IQQVQQBMRBDVBK-UHFFFAOYSA-N 1 2 415.328 3.929 20 30 HHEDLO C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000552483311 1012510049 /nfs/dbraw/zinc/51/00/49/1012510049.db2.gz CXOYONOOUZPYGY-QZTJIDSGSA-N 1 2 409.555 3.690 20 30 HHEDLO C[C@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000552483312 1012510261 /nfs/dbraw/zinc/51/02/61/1012510261.db2.gz CXOYONOOUZPYGY-ROUUACIJSA-N 1 2 409.555 3.690 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000541953947 1012817127 /nfs/dbraw/zinc/81/71/27/1012817127.db2.gz YCOWUSCIQZCDSE-INIZCTEOSA-N 1 2 422.710 3.626 20 30 HHEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c1Cl ZINC000552958818 1012944298 /nfs/dbraw/zinc/94/42/98/1012944298.db2.gz CRSGQDUXFTXMBW-UHFFFAOYSA-N 1 2 422.895 4.079 20 30 HHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000760480336 1072379523 /nfs/dbraw/zinc/37/95/23/1072379523.db2.gz YBKVAMAFVHZEGW-OALUTQOASA-N 1 2 402.502 3.562 20 30 HHEDLO C=CCc1ccc(OCC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(OC)c1 ZINC000591249733 1074208197 /nfs/dbraw/zinc/20/81/97/1074208197.db2.gz HITYXDUPRJBRPP-GOSISDBHSA-N 1 2 410.514 3.834 20 30 HHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C\c3c[nH+]c4cccc(C)n34)c2)cc1 ZINC000761201926 1075592387 /nfs/dbraw/zinc/59/23/87/1075592387.db2.gz XTQJLPOKLCGEGU-FLIBITNWSA-N 1 2 405.479 3.886 20 30 HHEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)n1 ZINC000301513175 970963414 /nfs/dbraw/zinc/96/34/14/970963414.db2.gz BGPAYIOZNCWYNB-KRWDZBQOSA-N 1 2 420.517 3.526 20 30 HHEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)n1 ZINC000301513175 970963418 /nfs/dbraw/zinc/96/34/18/970963418.db2.gz BGPAYIOZNCWYNB-KRWDZBQOSA-N 1 2 420.517 3.526 20 30 HHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000537562179 1013095265 /nfs/dbraw/zinc/09/52/65/1013095265.db2.gz UZBQVVJOZKWPMA-QGZVFWFLSA-N 1 2 420.542 3.840 20 30 HHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000537562179 1013095286 /nfs/dbraw/zinc/09/52/86/1013095286.db2.gz UZBQVVJOZKWPMA-QGZVFWFLSA-N 1 2 420.542 3.840 20 30 HHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000303647209 971926289 /nfs/dbraw/zinc/92/62/89/971926289.db2.gz AFGXUFIJYVYXMN-KRWDZBQOSA-N 1 2 419.916 3.641 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000010986840 961975002 /nfs/dbraw/zinc/97/50/02/961975002.db2.gz IHZKGIGBUCKTFN-UHFFFAOYSA-N 1 2 420.557 3.771 20 30 HHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000016003217 962912460 /nfs/dbraw/zinc/91/24/60/962912460.db2.gz VYHJNCVVVIKPRG-INIZCTEOSA-N 1 2 418.522 3.979 20 30 HHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000016003217 962912482 /nfs/dbraw/zinc/91/24/82/962912482.db2.gz VYHJNCVVVIKPRG-INIZCTEOSA-N 1 2 418.522 3.979 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000017843489 963234469 /nfs/dbraw/zinc/23/44/69/963234469.db2.gz WDVSRNRVZZPNOD-UHFFFAOYSA-N 1 2 420.513 3.708 20 30 HHEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026467931 964575049 /nfs/dbraw/zinc/57/50/49/964575049.db2.gz PIXIGQUPLSZZTK-RBUKOAKNSA-N 1 2 416.525 3.688 20 30 HHEDLO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000052862168 965003483 /nfs/dbraw/zinc/00/34/83/965003483.db2.gz DLJGSYMHBVIVMJ-ZFWWWQNUSA-N 1 2 413.547 3.787 20 30 HHEDLO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000052862168 965003492 /nfs/dbraw/zinc/00/34/92/965003492.db2.gz DLJGSYMHBVIVMJ-ZFWWWQNUSA-N 1 2 413.547 3.787 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccc(OC)cc1 ZINC000054272417 965453408 /nfs/dbraw/zinc/45/34/08/965453408.db2.gz HNZMMWNZCFTTND-UHFFFAOYSA-N 1 2 404.894 3.993 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccc(OC)cc1 ZINC000054272417 965453414 /nfs/dbraw/zinc/45/34/14/965453414.db2.gz HNZMMWNZCFTTND-UHFFFAOYSA-N 1 2 404.894 3.993 20 30 HHEDLO C=CCN(CC=C)C(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000058165628 965643464 /nfs/dbraw/zinc/64/34/64/965643464.db2.gz DBTAJEQQINZACI-OAHLLOKOSA-N 1 2 419.982 3.836 20 30 HHEDLO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cccc(C#N)c4F)CC3)cc2NC1=O ZINC000538087085 1013659895 /nfs/dbraw/zinc/65/98/95/1013659895.db2.gz DQBYTKMSHINMDO-AWEZNQCLSA-N 1 2 407.445 3.512 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1cccc(C#N)c1 ZINC000063388292 966838832 /nfs/dbraw/zinc/83/88/32/966838832.db2.gz YKIKUDHDUAVFGP-UHFFFAOYSA-N 1 2 408.933 3.548 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)Cc1cccc(C#N)c1 ZINC000063388292 966838837 /nfs/dbraw/zinc/83/88/37/966838837.db2.gz YKIKUDHDUAVFGP-UHFFFAOYSA-N 1 2 408.933 3.548 20 30 HHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000063401209 966845066 /nfs/dbraw/zinc/84/50/66/966845066.db2.gz IIKIPXYCCMCTAS-UHFFFAOYSA-N 1 2 409.490 3.878 20 30 HHEDLO CC(C)[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc2ccccc2[nH]1 ZINC000043106249 966906804 /nfs/dbraw/zinc/90/68/04/966906804.db2.gz ZRVZMJUXVIZIBI-QFIPXVFZSA-N 1 2 416.529 3.659 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000043959358 967084418 /nfs/dbraw/zinc/08/44/18/967084418.db2.gz LREUALHXFWIOBW-UHFFFAOYSA-N 1 2 418.419 3.849 20 30 HHEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000046530432 967843962 /nfs/dbraw/zinc/84/39/62/967843962.db2.gz ZAMZLKPRXSTUJE-XMMPIXPASA-N 1 2 413.477 3.776 20 30 HHEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000046530432 967843971 /nfs/dbraw/zinc/84/39/71/967843971.db2.gz ZAMZLKPRXSTUJE-XMMPIXPASA-N 1 2 413.477 3.776 20 30 HHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000046550472 967854737 /nfs/dbraw/zinc/85/47/37/967854737.db2.gz YUHLLPPSULSEAB-HNNXBMFYSA-N 1 2 414.579 3.673 20 30 HHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000046550472 967854748 /nfs/dbraw/zinc/85/47/48/967854748.db2.gz YUHLLPPSULSEAB-HNNXBMFYSA-N 1 2 414.579 3.673 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048104003 968429473 /nfs/dbraw/zinc/42/94/73/968429473.db2.gz RWYKKQVOMXWKKY-UHFFFAOYSA-N 1 2 405.527 3.536 20 30 HHEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c(Cl)c1 ZINC000109392106 969511132 /nfs/dbraw/zinc/51/11/32/969511132.db2.gz WSSVYYLRZGKYJK-UHFFFAOYSA-N 1 2 424.888 3.898 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(C#N)c1C ZINC000110003298 969608359 /nfs/dbraw/zinc/60/83/59/969608359.db2.gz VEHQHQXIBBJGNK-MRXNPFEDSA-N 1 2 423.448 3.775 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c(C#N)c1C ZINC000110003298 969608364 /nfs/dbraw/zinc/60/83/64/969608364.db2.gz VEHQHQXIBBJGNK-MRXNPFEDSA-N 1 2 423.448 3.775 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000554565122 1013978860 /nfs/dbraw/zinc/97/88/60/1013978860.db2.gz ZNSGBUPPENCPTO-GOSISDBHSA-N 1 2 414.431 3.763 20 30 HHEDLO CCCCn1c(SCC(=O)Nc2sccc2C#N)nnc1[C@@H](CC)[NH+](C)C ZINC000195538440 970499701 /nfs/dbraw/zinc/49/97/01/970499701.db2.gz QMWZDYQURIVUIS-CQSZACIVSA-N 1 2 406.581 3.755 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(F)cc3C(F)(F)F)CC2)cc1 ZINC000410145687 973632965 /nfs/dbraw/zinc/63/29/65/973632965.db2.gz NVJIUHZTXSLDCK-UHFFFAOYSA-N 1 2 420.410 3.744 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@H](O)[C@H](C)C3)sc2C1 ZINC000426161953 974275257 /nfs/dbraw/zinc/27/52/57/974275257.db2.gz PJOFJXIAOVTFGF-RKVPGOIHSA-N 1 2 403.592 3.802 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@H](O)[C@H](C)C3)sc2C1 ZINC000426161953 974275265 /nfs/dbraw/zinc/27/52/65/974275265.db2.gz PJOFJXIAOVTFGF-RKVPGOIHSA-N 1 2 403.592 3.802 20 30 HHEDLO COCC[N@H+](Cc1ccc(Br)s1)Cc1cnc2ccc(C#N)cn12 ZINC000426379384 974423321 /nfs/dbraw/zinc/42/33/21/974423321.db2.gz JBQNCYYZQNGNOG-UHFFFAOYSA-N 1 2 405.321 3.679 20 30 HHEDLO COCC[N@@H+](Cc1ccc(Br)s1)Cc1cnc2ccc(C#N)cn12 ZINC000426379384 974423323 /nfs/dbraw/zinc/42/33/23/974423323.db2.gz JBQNCYYZQNGNOG-UHFFFAOYSA-N 1 2 405.321 3.679 20 30 HHEDLO COc1cc(C[NH+]2CCN(CC#Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000426450842 974457361 /nfs/dbraw/zinc/45/73/61/974457361.db2.gz ZQJICYZNPHKUNG-UHFFFAOYSA-N 1 2 414.933 3.535 20 30 HHEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(C#N)c1C ZINC000427016549 974828315 /nfs/dbraw/zinc/82/83/15/974828315.db2.gz QTUBFOWEAKSANN-UHFFFAOYSA-N 1 2 420.542 3.840 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)nc1 ZINC000428805347 976083318 /nfs/dbraw/zinc/08/33/18/976083318.db2.gz NIXBCDYXPYOUBF-JOCHJYFZSA-N 1 2 414.465 3.837 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)nc1 ZINC000428805347 976083334 /nfs/dbraw/zinc/08/33/34/976083334.db2.gz NIXBCDYXPYOUBF-JOCHJYFZSA-N 1 2 414.465 3.837 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000428814571 976094178 /nfs/dbraw/zinc/09/41/78/976094178.db2.gz GUDQBSWNMFBCCX-URXFXBBRSA-N 1 2 422.504 3.593 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000428814571 976094192 /nfs/dbraw/zinc/09/41/92/976094192.db2.gz GUDQBSWNMFBCCX-URXFXBBRSA-N 1 2 422.504 3.593 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000431813060 978532045 /nfs/dbraw/zinc/53/20/45/978532045.db2.gz VKUSDFROJOIXRJ-TZIWHRDSSA-N 1 2 405.502 3.530 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434667431 980329484 /nfs/dbraw/zinc/32/94/84/980329484.db2.gz VQVWIGZACJYSPW-UHFFFAOYSA-N 1 2 419.573 3.963 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687120 980339659 /nfs/dbraw/zinc/33/96/59/980339659.db2.gz WPSQRSPKRDYYMV-GOSISDBHSA-N 1 2 423.536 3.873 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687120 980339665 /nfs/dbraw/zinc/33/96/65/980339665.db2.gz WPSQRSPKRDYYMV-GOSISDBHSA-N 1 2 423.536 3.873 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000434854682 980448760 /nfs/dbraw/zinc/44/87/60/980448760.db2.gz WYUPFKZJUJMVBF-UYAOXDASSA-N 1 2 420.444 3.841 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000434854682 980448761 /nfs/dbraw/zinc/44/87/61/980448761.db2.gz WYUPFKZJUJMVBF-UYAOXDASSA-N 1 2 420.444 3.841 20 30 HHEDLO CC[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(F)(F)F)cs1 ZINC000434881259 980465561 /nfs/dbraw/zinc/46/55/61/980465561.db2.gz UAVNRJSJLYITJB-MNOVXSKESA-N 1 2 400.451 3.941 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C#N)cc1 ZINC000434905849 980484066 /nfs/dbraw/zinc/48/40/66/980484066.db2.gz TYYWXEDWMKLVSN-UHFFFAOYSA-N 1 2 421.497 3.687 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C#N)cc1 ZINC000434905849 980484072 /nfs/dbraw/zinc/48/40/72/980484072.db2.gz TYYWXEDWMKLVSN-UHFFFAOYSA-N 1 2 421.497 3.687 20 30 HHEDLO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000435055452 980600431 /nfs/dbraw/zinc/60/04/31/980600431.db2.gz IKMIZFKSORNBJX-UHFFFAOYSA-N 1 2 405.523 3.911 20 30 HHEDLO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000435055452 980600434 /nfs/dbraw/zinc/60/04/34/980600434.db2.gz IKMIZFKSORNBJX-UHFFFAOYSA-N 1 2 405.523 3.911 20 30 HHEDLO Cc1cnn(-c2ccc(C)cc2NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000435533078 980925775 /nfs/dbraw/zinc/92/57/75/980925775.db2.gz UNINPNCZLNBKGA-UHFFFAOYSA-N 1 2 414.513 3.711 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000437328167 981979985 /nfs/dbraw/zinc/97/99/85/981979985.db2.gz RUYMMVFXYQZHAH-UHFFFAOYSA-N 1 2 418.950 3.534 20 30 HHEDLO N#CC1(CS(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000460478467 982271379 /nfs/dbraw/zinc/27/13/79/982271379.db2.gz VYKGOSWGBYNCDV-UHFFFAOYSA-N 1 2 409.983 3.652 20 30 HHEDLO N#CC1(CS(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000460478467 982271387 /nfs/dbraw/zinc/27/13/87/982271387.db2.gz VYKGOSWGBYNCDV-UHFFFAOYSA-N 1 2 409.983 3.652 20 30 HHEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000460566930 982352054 /nfs/dbraw/zinc/35/20/54/982352054.db2.gz NCOFIHUUIYJKAD-RTWAWAEBSA-N 1 2 409.578 3.532 20 30 HHEDLO C=C(C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000460566930 982352056 /nfs/dbraw/zinc/35/20/56/982352056.db2.gz NCOFIHUUIYJKAD-RTWAWAEBSA-N 1 2 409.578 3.532 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000437933556 982470661 /nfs/dbraw/zinc/47/06/61/982470661.db2.gz PDPCMGZITWBMQC-GHTZIAJQSA-N 1 2 412.896 3.734 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000438046069 982548267 /nfs/dbraw/zinc/54/82/67/982548267.db2.gz BKLXVCZMJCUWQD-QZTJIDSGSA-N 1 2 402.564 3.799 20 30 HHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000438507672 982847681 /nfs/dbraw/zinc/84/76/81/982847681.db2.gz APNJCFIEAOFRHH-KRWDZBQOSA-N 1 2 403.461 3.990 20 30 HHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000438507672 982847693 /nfs/dbraw/zinc/84/76/93/982847693.db2.gz APNJCFIEAOFRHH-KRWDZBQOSA-N 1 2 403.461 3.990 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccco3)C2)c1C#N ZINC000438547670 982886856 /nfs/dbraw/zinc/88/68/56/982886856.db2.gz UJZHLEVUNPSRJJ-NRFANRHFSA-N 1 2 422.485 3.613 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCO[C@H](c3ccco3)C2)c1C#N ZINC000438547670 982886870 /nfs/dbraw/zinc/88/68/70/982886870.db2.gz UJZHLEVUNPSRJJ-NRFANRHFSA-N 1 2 422.485 3.613 20 30 HHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000441076463 984057710 /nfs/dbraw/zinc/05/77/10/984057710.db2.gz RMJZYPNLNAOJDD-OAHLLOKOSA-N 1 2 408.449 3.529 20 30 HHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000441076463 984057717 /nfs/dbraw/zinc/05/77/17/984057717.db2.gz RMJZYPNLNAOJDD-OAHLLOKOSA-N 1 2 408.449 3.529 20 30 HHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441378864 984219519 /nfs/dbraw/zinc/21/95/19/984219519.db2.gz NFLYXUMIFUFGMG-ROUUACIJSA-N 1 2 402.970 3.750 20 30 HHEDLO N#Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1OC(F)(F)F ZINC000441509829 984294269 /nfs/dbraw/zinc/29/42/69/984294269.db2.gz CBLCEBXNCFSDNK-UHFFFAOYSA-N 1 2 417.303 3.803 20 30 HHEDLO CCOCCO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000441665824 984383349 /nfs/dbraw/zinc/38/33/49/984383349.db2.gz FFKCPSWJRREQQP-FQEVSTJZSA-N 1 2 416.566 3.548 20 30 HHEDLO CCOCCO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000441665824 984383357 /nfs/dbraw/zinc/38/33/57/984383357.db2.gz FFKCPSWJRREQQP-FQEVSTJZSA-N 1 2 416.566 3.548 20 30 HHEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441803499 984464401 /nfs/dbraw/zinc/46/44/01/984464401.db2.gz RYLSTDXNTDDSEL-JOCHJYFZSA-N 1 2 418.497 3.561 20 30 HHEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000442181442 984704011 /nfs/dbraw/zinc/70/40/11/984704011.db2.gz LWUHMPCEWRBHHL-UHFFFAOYSA-N 1 2 417.856 3.704 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000442207916 984727312 /nfs/dbraw/zinc/72/73/12/984727312.db2.gz KOVCDGRYCUWVMN-JOCHJYFZSA-N 1 2 417.513 3.979 20 30 HHEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1O ZINC000442733655 985192372 /nfs/dbraw/zinc/19/23/72/985192372.db2.gz ZNYKHOFOIRJOQP-FQEVSTJZSA-N 1 2 403.507 3.855 20 30 HHEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1O ZINC000442733655 985192387 /nfs/dbraw/zinc/19/23/87/985192387.db2.gz ZNYKHOFOIRJOQP-FQEVSTJZSA-N 1 2 403.507 3.855 20 30 HHEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000462393283 985373037 /nfs/dbraw/zinc/37/30/37/985373037.db2.gz XGALTEDRADQWNV-UHFFFAOYSA-N 1 2 424.451 3.708 20 30 HHEDLO COc1cc(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccc1C#N ZINC000462477503 985434597 /nfs/dbraw/zinc/43/45/97/985434597.db2.gz FGRNCXCVFBBQOO-UHFFFAOYSA-N 1 2 423.904 3.829 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000462552315 985499714 /nfs/dbraw/zinc/49/97/14/985499714.db2.gz OELNNQVCPBXRFN-CQSZACIVSA-N 1 2 411.303 3.739 20 30 HHEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)on2)c1 ZINC000468252530 985951343 /nfs/dbraw/zinc/95/13/43/985951343.db2.gz BJZRTMBTRHHTAX-UHFFFAOYSA-N 1 2 404.445 3.700 20 30 HHEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)on2)c1 ZINC000468252530 985951356 /nfs/dbraw/zinc/95/13/56/985951356.db2.gz BJZRTMBTRHHTAX-UHFFFAOYSA-N 1 2 404.445 3.700 20 30 HHEDLO Cc1cc(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000463653080 986631489 /nfs/dbraw/zinc/63/14/89/986631489.db2.gz AHRWLKYSHMYWME-GOSISDBHSA-N 1 2 412.335 3.812 20 30 HHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000469022714 986731167 /nfs/dbraw/zinc/73/11/67/986731167.db2.gz PSUYQMXTSYNUOC-UHFFFAOYSA-N 1 2 417.282 3.706 20 30 HHEDLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469031249 986741117 /nfs/dbraw/zinc/74/11/17/986741117.db2.gz QWQDZFWLRHNYTE-HUUCEWRRSA-N 1 2 424.467 3.695 20 30 HHEDLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469031249 986741124 /nfs/dbraw/zinc/74/11/24/986741124.db2.gz QWQDZFWLRHNYTE-HUUCEWRRSA-N 1 2 424.467 3.695 20 30 HHEDLO C[C@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469505636 987182732 /nfs/dbraw/zinc/18/27/32/987182732.db2.gz WFHBFYQTBSHRFB-BBRMVZONSA-N 1 2 407.396 3.811 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000469512625 987189114 /nfs/dbraw/zinc/18/91/14/987189114.db2.gz UOGVWCSQNOFBIZ-NRFANRHFSA-N 1 2 406.486 3.581 20 30 HHEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470205758 988129629 /nfs/dbraw/zinc/12/96/29/988129629.db2.gz GBCIHJFVBINHII-MOPGFXCFSA-N 1 2 418.969 3.616 20 30 HHEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470205758 988129637 /nfs/dbraw/zinc/12/96/37/988129637.db2.gz GBCIHJFVBINHII-MOPGFXCFSA-N 1 2 418.969 3.616 20 30 HHEDLO CC(=O)c1ccc(NC(=O)CC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000471012657 989083131 /nfs/dbraw/zinc/08/31/31/989083131.db2.gz RQFDEJMUHNUJDW-JOCHJYFZSA-N 1 2 424.932 3.754 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471186679 989320973 /nfs/dbraw/zinc/32/09/73/989320973.db2.gz JAWTVIJSQYYDJK-HXUWFJFHSA-N 1 2 413.525 3.692 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000465560868 989926726 /nfs/dbraw/zinc/92/67/26/989926726.db2.gz AWCHTELHWOLSKI-GOTSBHOMSA-N 1 2 413.525 3.955 20 30 HHEDLO CCCCCOc1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OC ZINC000471816737 989998080 /nfs/dbraw/zinc/99/80/80/989998080.db2.gz PVEWOIYSRRJXRT-UHFFFAOYSA-N 1 2 411.550 3.500 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000465714344 990099957 /nfs/dbraw/zinc/09/99/57/990099957.db2.gz DUAJJDHIUPRJHZ-PZJWPPBQSA-N 1 2 403.461 3.993 20 30 HHEDLO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000467018780 992326890 /nfs/dbraw/zinc/32/68/90/992326890.db2.gz OPQJISUWAAJTHB-LJQANCHMSA-N 1 2 420.431 3.750 20 30 HHEDLO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000467018780 992326897 /nfs/dbraw/zinc/32/68/97/992326897.db2.gz OPQJISUWAAJTHB-LJQANCHMSA-N 1 2 420.431 3.750 20 30 HHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)n2)C1 ZINC000467123094 992438856 /nfs/dbraw/zinc/43/88/56/992438856.db2.gz VEHJEPRMLHAWNR-OAHLLOKOSA-N 1 2 406.515 3.685 20 30 HHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)n2)C1 ZINC000467123094 992438861 /nfs/dbraw/zinc/43/88/61/992438861.db2.gz VEHJEPRMLHAWNR-OAHLLOKOSA-N 1 2 406.515 3.685 20 30 HHEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000472846385 993780358 /nfs/dbraw/zinc/78/03/58/993780358.db2.gz HCWIORNVPGVPQY-FQEVSTJZSA-N 1 2 421.541 3.623 20 30 HHEDLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481397298 994229168 /nfs/dbraw/zinc/22/91/68/994229168.db2.gz CLJLKGVKFQJXFC-RBZFPXEDSA-N 1 2 423.517 3.687 20 30 HHEDLO COc1cc(OC)c(OC)cc1C[N@H+](CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000474176866 995165504 /nfs/dbraw/zinc/16/55/04/995165504.db2.gz KTMLDXYZOOHUCL-UHFFFAOYSA-N 1 2 417.531 3.885 20 30 HHEDLO COc1cc(OC)c(OC)cc1C[N@@H+](CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000474176866 995165507 /nfs/dbraw/zinc/16/55/07/995165507.db2.gz KTMLDXYZOOHUCL-UHFFFAOYSA-N 1 2 417.531 3.885 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCSCc1ccccc1C#N ZINC000474292262 995283676 /nfs/dbraw/zinc/28/36/76/995283676.db2.gz VDLOBUOIQBRIRS-UHFFFAOYSA-N 1 2 400.454 3.544 20 30 HHEDLO CCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1c[nH+]cn1C ZINC000474780393 995706188 /nfs/dbraw/zinc/70/61/88/995706188.db2.gz OSNJZQURQAULHB-WIYYLYMNSA-N 1 2 407.518 3.550 20 30 HHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000475310364 996060840 /nfs/dbraw/zinc/06/08/40/996060840.db2.gz CXYCNPAJRWKJFG-UHFFFAOYSA-N 1 2 400.385 3.746 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1OCC ZINC000483435024 996177262 /nfs/dbraw/zinc/17/72/62/996177262.db2.gz GDVAJMCEAPIKAB-INIZCTEOSA-N 1 2 423.351 3.609 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1OCC ZINC000483435024 996177265 /nfs/dbraw/zinc/17/72/65/996177265.db2.gz GDVAJMCEAPIKAB-INIZCTEOSA-N 1 2 423.351 3.609 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000475736213 996335394 /nfs/dbraw/zinc/33/53/94/996335394.db2.gz VYDVSYIUSWPVCS-SLQAJWMNSA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000475736213 996335396 /nfs/dbraw/zinc/33/53/96/996335396.db2.gz VYDVSYIUSWPVCS-SLQAJWMNSA-N 1 2 411.571 3.981 20 30 HHEDLO N#CC1(C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)CCC1 ZINC000483885432 996448419 /nfs/dbraw/zinc/44/84/19/996448419.db2.gz WQXIDORGVQBKBC-UHFFFAOYSA-N 1 2 403.526 3.631 20 30 HHEDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(-c2cccc(F)c2)no1 ZINC000485326263 997739196 /nfs/dbraw/zinc/73/91/96/997739196.db2.gz ZQACUPAJTQTLNB-IFXJQAMLSA-N 1 2 405.433 3.594 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC(F)(F)F)CC(F)(F)F ZINC000477153562 997812718 /nfs/dbraw/zinc/81/27/18/997812718.db2.gz VLQQOERVPPHEQA-UHFFFAOYSA-N 1 2 403.273 3.966 20 30 HHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000486500838 998795684 /nfs/dbraw/zinc/79/56/84/998795684.db2.gz GDJVNSBTPQJYDQ-KOSHJBKYSA-N 1 2 419.573 3.700 20 30 HHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000486500838 998795689 /nfs/dbraw/zinc/79/56/89/998795689.db2.gz GDJVNSBTPQJYDQ-KOSHJBKYSA-N 1 2 419.573 3.700 20 30 HHEDLO C=CCSc1ccccc1C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000478360113 998915444 /nfs/dbraw/zinc/91/54/44/998915444.db2.gz MCJVUJYXWDLZRN-KRWDZBQOSA-N 1 2 400.548 3.783 20 30 HHEDLO C=CCSc1ccccc1C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000478360113 998915448 /nfs/dbraw/zinc/91/54/48/998915448.db2.gz MCJVUJYXWDLZRN-KRWDZBQOSA-N 1 2 400.548 3.783 20 30 HHEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)o1 ZINC000478770693 999132322 /nfs/dbraw/zinc/13/23/22/999132322.db2.gz KELCEPWMIBMJNB-UHFFFAOYSA-N 1 2 415.493 3.715 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000487396094 999159989 /nfs/dbraw/zinc/15/99/89/999159989.db2.gz QWFVTMXRIQWVDF-CQSZACIVSA-N 1 2 423.427 3.740 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000487396094 999159992 /nfs/dbraw/zinc/15/99/92/999159992.db2.gz QWFVTMXRIQWVDF-CQSZACIVSA-N 1 2 423.427 3.740 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)no1 ZINC000480213300 999747130 /nfs/dbraw/zinc/74/71/30/999747130.db2.gz JYCYYFMEBVMHQB-KRWDZBQOSA-N 1 2 410.909 3.942 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)no1 ZINC000480213300 999747132 /nfs/dbraw/zinc/74/71/32/999747132.db2.gz JYCYYFMEBVMHQB-KRWDZBQOSA-N 1 2 410.909 3.942 20 30 HHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)C1=O ZINC000490028543 999880819 /nfs/dbraw/zinc/88/08/19/999880819.db2.gz DMVLYSFBEOPQKA-RDJZCZTQSA-N 1 2 412.584 3.940 20 30 HHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)C1=O ZINC000490028543 999880824 /nfs/dbraw/zinc/88/08/24/999880824.db2.gz DMVLYSFBEOPQKA-RDJZCZTQSA-N 1 2 412.584 3.940 20 30 HHEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000490071128 999888880 /nfs/dbraw/zinc/88/88/80/999888880.db2.gz HVWHHXVCUMNPCV-HXUWFJFHSA-N 1 2 423.904 3.655 20 30 HHEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000490071128 999888881 /nfs/dbraw/zinc/88/88/81/999888881.db2.gz HVWHHXVCUMNPCV-HXUWFJFHSA-N 1 2 423.904 3.655 20 30 HHEDLO Cn1cc(C[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491195299 1000054176 /nfs/dbraw/zinc/05/41/76/1000054176.db2.gz UGVHSSNAOHJXCC-UHFFFAOYSA-N 1 2 419.573 3.963 20 30 HHEDLO COc1ccc(C[NH+]2CCN(Cc3cc(C#N)ccc3Br)CC2)cc1F ZINC000492542806 1000131672 /nfs/dbraw/zinc/13/16/72/1000131672.db2.gz XRXAOBYEFYTPTH-UHFFFAOYSA-N 1 2 418.310 3.786 20 30 HHEDLO COc1cc(C[N@H+](CCNC(C)=O)Cc2ccc(Br)s2)ccc1C#N ZINC000504545658 1000262036 /nfs/dbraw/zinc/26/20/36/1000262036.db2.gz JXLHSOCZFIHTTI-UHFFFAOYSA-N 1 2 422.348 3.529 20 30 HHEDLO COc1cc(C[N@@H+](CCNC(C)=O)Cc2ccc(Br)s2)ccc1C#N ZINC000504545658 1000262043 /nfs/dbraw/zinc/26/20/43/1000262043.db2.gz JXLHSOCZFIHTTI-UHFFFAOYSA-N 1 2 422.348 3.529 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494227791 1000373854 /nfs/dbraw/zinc/37/38/54/1000373854.db2.gz QSJVANKYVNOMPN-MRXNPFEDSA-N 1 2 401.507 3.653 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494227791 1000373857 /nfs/dbraw/zinc/37/38/57/1000373857.db2.gz QSJVANKYVNOMPN-MRXNPFEDSA-N 1 2 401.507 3.653 20 30 HHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145318 1000576121 /nfs/dbraw/zinc/57/61/21/1000576121.db2.gz LBNCOPNRJYMZCU-IBGZPJMESA-N 1 2 419.529 3.606 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccn(-c4ccccc4Cl)n3)CC2)cc1 ZINC000495237384 1000930341 /nfs/dbraw/zinc/93/03/41/1000930341.db2.gz DOEZLDYWQIVAHT-UHFFFAOYSA-N 1 2 420.904 3.747 20 30 HHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n2)C1 ZINC000505737473 1001000570 /nfs/dbraw/zinc/00/05/70/1001000570.db2.gz XTARXRRTIKMNKQ-XOBRGWDASA-N 1 2 406.552 3.575 20 30 HHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n2)C1 ZINC000505737473 1001000573 /nfs/dbraw/zinc/00/05/73/1001000573.db2.gz XTARXRRTIKMNKQ-XOBRGWDASA-N 1 2 406.552 3.575 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@H]([C@H](C)O)C3)sc2C1 ZINC000506018596 1001166507 /nfs/dbraw/zinc/16/65/07/1001166507.db2.gz XXESYRMOLZJMFT-HRCADAONSA-N 1 2 403.592 3.802 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@H]([C@H](C)O)C3)sc2C1 ZINC000506018596 1001166514 /nfs/dbraw/zinc/16/65/14/1001166514.db2.gz XXESYRMOLZJMFT-HRCADAONSA-N 1 2 403.592 3.802 20 30 HHEDLO N#Cc1ccccc1OCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000497605377 1001455710 /nfs/dbraw/zinc/45/57/10/1001455710.db2.gz GYTYYISDBHFNSS-UHFFFAOYSA-N 1 2 410.827 3.826 20 30 HHEDLO C=CCc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc(OC)c1O ZINC000506669084 1001488857 /nfs/dbraw/zinc/48/88/57/1001488857.db2.gz OAKOSHDKCSUGQO-QFIPXVFZSA-N 1 2 406.526 3.679 20 30 HHEDLO C=CCc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc(OC)c1O ZINC000506669084 1001488859 /nfs/dbraw/zinc/48/88/59/1001488859.db2.gz OAKOSHDKCSUGQO-QFIPXVFZSA-N 1 2 406.526 3.679 20 30 HHEDLO COc1cccc(C(=O)CCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000498222136 1001706265 /nfs/dbraw/zinc/70/62/65/1001706265.db2.gz QGJAWGRTPKUNMK-UHFFFAOYSA-N 1 2 419.525 3.723 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507227817 1001913924 /nfs/dbraw/zinc/91/39/24/1001913924.db2.gz DPTUHRXLFCIPES-MBSDFSHPSA-N 1 2 407.514 3.576 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507227817 1001913932 /nfs/dbraw/zinc/91/39/32/1001913932.db2.gz DPTUHRXLFCIPES-MBSDFSHPSA-N 1 2 407.514 3.576 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507802810 1002353940 /nfs/dbraw/zinc/35/39/40/1002353940.db2.gz WYIYRFZDLHLXEV-OAHLLOKOSA-N 1 2 408.889 3.954 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000507860448 1002396457 /nfs/dbraw/zinc/39/64/57/1002396457.db2.gz PEVAUIQOHLZEQO-UHFFFAOYSA-N 1 2 405.414 3.560 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499248168 1002644526 /nfs/dbraw/zinc/64/45/26/1002644526.db2.gz ZUEBKFNAJWLKFE-DENIHFKCSA-N 1 2 419.468 3.830 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499248168 1002644532 /nfs/dbraw/zinc/64/45/32/1002644532.db2.gz ZUEBKFNAJWLKFE-DENIHFKCSA-N 1 2 419.468 3.830 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000508335791 1002838660 /nfs/dbraw/zinc/83/86/60/1002838660.db2.gz YLICBHGAIOZSDQ-IBGZPJMESA-N 1 2 403.526 3.987 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000508335791 1002838675 /nfs/dbraw/zinc/83/86/75/1002838675.db2.gz YLICBHGAIOZSDQ-IBGZPJMESA-N 1 2 403.526 3.987 20 30 HHEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)C1=O ZINC000499521839 1002910341 /nfs/dbraw/zinc/91/03/41/1002910341.db2.gz IJMKPFMYZXLGNR-INIZCTEOSA-N 1 2 417.859 3.795 20 30 HHEDLO C=CCN1CC[C@H]([N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C(C)C)C1=O ZINC000499521839 1002910348 /nfs/dbraw/zinc/91/03/48/1002910348.db2.gz IJMKPFMYZXLGNR-INIZCTEOSA-N 1 2 417.859 3.795 20 30 HHEDLO C=CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000508466205 1002951637 /nfs/dbraw/zinc/95/16/37/1002951637.db2.gz SXJSBTDWZNLVJI-UHFFFAOYSA-N 1 2 405.468 3.758 20 30 HHEDLO COC(=O)C[N@H+](CCCC1(C#N)CCOCC1)Cc1cccc(Br)c1 ZINC000499704892 1003054719 /nfs/dbraw/zinc/05/47/19/1003054719.db2.gz BMOQQPHAXGCAPJ-UHFFFAOYSA-N 1 2 409.324 3.525 20 30 HHEDLO COC(=O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(Br)c1 ZINC000499704892 1003054726 /nfs/dbraw/zinc/05/47/26/1003054726.db2.gz BMOQQPHAXGCAPJ-UHFFFAOYSA-N 1 2 409.324 3.525 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OCC ZINC000508663462 1003104576 /nfs/dbraw/zinc/10/45/76/1003104576.db2.gz HBQQGNCSEDZRTR-UHFFFAOYSA-N 1 2 422.485 3.926 20 30 HHEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Br)cc1 ZINC000499923028 1003249919 /nfs/dbraw/zinc/24/99/19/1003249919.db2.gz BBUYHDJBHNYHNR-MRXNPFEDSA-N 1 2 412.331 3.769 20 30 HHEDLO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508845991 1003267084 /nfs/dbraw/zinc/26/70/84/1003267084.db2.gz DWTAOXPMQWZIFD-UHFFFAOYSA-N 1 2 413.485 3.508 20 30 HHEDLO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508865279 1003284987 /nfs/dbraw/zinc/28/49/87/1003284987.db2.gz UQABYGKYKCZXEO-HXUWFJFHSA-N 1 2 418.545 3.943 20 30 HHEDLO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508887829 1003313680 /nfs/dbraw/zinc/31/36/80/1003313680.db2.gz KUZXDRFEXGQHEQ-KRWDZBQOSA-N 1 2 411.481 3.658 20 30 HHEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000508948179 1003404070 /nfs/dbraw/zinc/40/40/70/1003404070.db2.gz ZHGOBCQVQBMZKP-UHFFFAOYSA-N 1 2 401.942 3.586 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1Br ZINC000512162527 1004068948 /nfs/dbraw/zinc/06/89/48/1004068948.db2.gz CUZDEMKZCIEGNM-CQSZACIVSA-N 1 2 407.308 3.940 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccccc1Br ZINC000512162527 1004068961 /nfs/dbraw/zinc/06/89/61/1004068961.db2.gz CUZDEMKZCIEGNM-CQSZACIVSA-N 1 2 407.308 3.940 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)c1C ZINC000501435843 1004420376 /nfs/dbraw/zinc/42/03/76/1004420376.db2.gz PZLPUZHWCFJZKS-LJQANCHMSA-N 1 2 405.336 3.902 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c1C ZINC000501435843 1004420381 /nfs/dbraw/zinc/42/03/81/1004420381.db2.gz PZLPUZHWCFJZKS-LJQANCHMSA-N 1 2 405.336 3.902 20 30 HHEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000501449604 1004429159 /nfs/dbraw/zinc/42/91/59/1004429159.db2.gz UUVRVBDMCWGSDQ-KRWDZBQOSA-N 1 2 422.710 3.578 20 30 HHEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000501449604 1004429163 /nfs/dbraw/zinc/42/91/63/1004429163.db2.gz UUVRVBDMCWGSDQ-KRWDZBQOSA-N 1 2 422.710 3.578 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c(F)c1 ZINC000512829504 1004587391 /nfs/dbraw/zinc/58/73/91/1004587391.db2.gz WIVNKLXBVMCIDF-UHFFFAOYSA-N 1 2 423.404 3.699 20 30 HHEDLO C=C(CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)c1ccccc1 ZINC000501917053 1004809582 /nfs/dbraw/zinc/80/95/82/1004809582.db2.gz RCLKOBXBLBEWJO-UHFFFAOYSA-N 1 2 413.319 3.960 20 30 HHEDLO Fc1ccc(C#CCN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510948997 1004949239 /nfs/dbraw/zinc/94/92/39/1004949239.db2.gz QLYUSTKYWHVHJB-UHFFFAOYSA-N 1 2 402.267 3.932 20 30 HHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)c1 ZINC000511174586 1005058700 /nfs/dbraw/zinc/05/87/00/1005058700.db2.gz IJWHQVHGAAAEFY-KRWDZBQOSA-N 1 2 409.505 3.889 20 30 HHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)c1 ZINC000511174587 1005058799 /nfs/dbraw/zinc/05/87/99/1005058799.db2.gz IJWHQVHGAAAEFY-QGZVFWFLSA-N 1 2 409.505 3.889 20 30 HHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000511178449 1005060656 /nfs/dbraw/zinc/06/06/56/1005060656.db2.gz VBEREOROFDEQRW-KRWDZBQOSA-N 1 2 402.429 3.893 20 30 HHEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528436 1005104224 /nfs/dbraw/zinc/10/42/24/1005104224.db2.gz BZBRROBFGSJJPF-OAHLLOKOSA-N 1 2 406.442 3.591 20 30 HHEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528436 1005104226 /nfs/dbraw/zinc/10/42/26/1005104226.db2.gz BZBRROBFGSJJPF-OAHLLOKOSA-N 1 2 406.442 3.591 20 30 HHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)Cc1ccncc1 ZINC000502733312 1005194641 /nfs/dbraw/zinc/19/46/41/1005194641.db2.gz VENFDMVJUVMBKL-UHFFFAOYSA-N 1 2 405.477 3.961 20 30 HHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)Cc1ccncc1 ZINC000502733312 1005194647 /nfs/dbraw/zinc/19/46/47/1005194647.db2.gz VENFDMVJUVMBKL-UHFFFAOYSA-N 1 2 405.477 3.961 20 30 HHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccncc1 ZINC000502780269 1005214823 /nfs/dbraw/zinc/21/48/23/1005214823.db2.gz HZUBZPXBDYINOK-UHFFFAOYSA-N 1 2 417.513 3.830 20 30 HHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccncc1 ZINC000502780269 1005214829 /nfs/dbraw/zinc/21/48/29/1005214829.db2.gz HZUBZPXBDYINOK-UHFFFAOYSA-N 1 2 417.513 3.830 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c(OC)c1 ZINC000513989634 1005216469 /nfs/dbraw/zinc/21/64/69/1005216469.db2.gz MYSHSSHZGBFBOX-LJQANCHMSA-N 1 2 400.906 3.629 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513990713 1005216838 /nfs/dbraw/zinc/21/68/38/1005216838.db2.gz YSYAVFWTBQIRDY-LJQANCHMSA-N 1 2 413.905 3.552 20 30 HHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000504240059 1005580306 /nfs/dbraw/zinc/58/03/06/1005580306.db2.gz XOQVCDQCZZAZTM-UHFFFAOYSA-N 1 2 402.845 3.894 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000534664186 1006641481 /nfs/dbraw/zinc/64/14/81/1006641481.db2.gz HJAPSAJMPMRNHQ-LJQANCHMSA-N 1 2 401.413 3.562 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000534664186 1006641488 /nfs/dbraw/zinc/64/14/88/1006641488.db2.gz HJAPSAJMPMRNHQ-LJQANCHMSA-N 1 2 401.413 3.562 20 30 HHEDLO CC(C)(C)[C@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000532157784 1006682007 /nfs/dbraw/zinc/68/20/07/1006682007.db2.gz TZFNHIAXDIWKOF-JOCHJYFZSA-N 1 2 410.587 3.641 20 30 HHEDLO COc1cccc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]2CCCO2)c1 ZINC000532483727 1006923481 /nfs/dbraw/zinc/92/34/81/1006923481.db2.gz SGQRCQJXZRBKRA-FQEVSTJZSA-N 1 2 413.905 3.840 20 30 HHEDLO COc1cccc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]2CCCO2)c1 ZINC000532483727 1006923485 /nfs/dbraw/zinc/92/34/85/1006923485.db2.gz SGQRCQJXZRBKRA-FQEVSTJZSA-N 1 2 413.905 3.840 20 30 HHEDLO Cc1occc1C(=O)NC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000532517972 1006954589 /nfs/dbraw/zinc/95/45/89/1006954589.db2.gz HWIZKCSDHWYZRR-UHFFFAOYSA-N 1 2 418.497 3.534 20 30 HHEDLO C=CCn1c(-c2ccccn2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000516514890 1007124598 /nfs/dbraw/zinc/12/45/98/1007124598.db2.gz HUSGYJXROWKTDQ-UHFFFAOYSA-N 1 2 403.534 3.664 20 30 HHEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc(OC)c1 ZINC000516746243 1007270377 /nfs/dbraw/zinc/27/03/77/1007270377.db2.gz NCKDMVBIPIAADV-UHFFFAOYSA-N 1 2 401.894 3.736 20 30 HHEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc(OC)c1 ZINC000516746243 1007270390 /nfs/dbraw/zinc/27/03/90/1007270390.db2.gz NCKDMVBIPIAADV-UHFFFAOYSA-N 1 2 401.894 3.736 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533024258 1007384582 /nfs/dbraw/zinc/38/45/82/1007384582.db2.gz ORRDQYBFIIWJQH-HUUCEWRRSA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533024258 1007384595 /nfs/dbraw/zinc/38/45/95/1007384595.db2.gz ORRDQYBFIIWJQH-HUUCEWRRSA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533024256 1007384879 /nfs/dbraw/zinc/38/48/79/1007384879.db2.gz ORRDQYBFIIWJQH-CABCVRRESA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000533024256 1007384898 /nfs/dbraw/zinc/38/48/98/1007384898.db2.gz ORRDQYBFIIWJQH-CABCVRRESA-N 1 2 417.575 3.879 20 30 HHEDLO C=CC1CC[NH+](Cc2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2CCCC)CC1 ZINC000533287246 1007598727 /nfs/dbraw/zinc/59/87/27/1007598727.db2.gz OPKNNOUCGMBPHE-UHFFFAOYSA-N 1 2 421.545 3.545 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000533295633 1007611827 /nfs/dbraw/zinc/61/18/27/1007611827.db2.gz GLVKMVQQGDLLRQ-YADHBBJMSA-N 1 2 419.573 3.712 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000536020411 1008057806 /nfs/dbraw/zinc/05/78/06/1008057806.db2.gz DEPFCARUUCCVMY-QGZVFWFLSA-N 1 2 414.600 3.899 20 30 HHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Br)cc1F ZINC000518000592 1008095250 /nfs/dbraw/zinc/09/52/50/1008095250.db2.gz QNZDOXXFVWPPPZ-UHFFFAOYSA-N 1 2 420.282 3.547 20 30 HHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Br)cc1F ZINC000518000592 1008095254 /nfs/dbraw/zinc/09/52/54/1008095254.db2.gz QNZDOXXFVWPPPZ-UHFFFAOYSA-N 1 2 420.282 3.547 20 30 HHEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533844997 1008152214 /nfs/dbraw/zinc/15/22/14/1008152214.db2.gz RZACYXKNUHHDTO-UHFFFAOYSA-N 1 2 413.481 3.762 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540255306 1008355886 /nfs/dbraw/zinc/35/58/86/1008355886.db2.gz XSIJLMCUQSJASV-VQTJNVASSA-N 1 2 400.885 3.985 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540255306 1008355892 /nfs/dbraw/zinc/35/58/92/1008355892.db2.gz XSIJLMCUQSJASV-VQTJNVASSA-N 1 2 400.885 3.985 20 30 HHEDLO Cc1sc2nc([C@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000540296183 1008370855 /nfs/dbraw/zinc/37/08/55/1008370855.db2.gz LVWWLWNSLACQQD-HNNXBMFYSA-N 1 2 406.559 3.641 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000519171477 1008576028 /nfs/dbraw/zinc/57/60/28/1008576028.db2.gz NCXQXFPNQVFNGO-IAGOWNOFSA-N 1 2 424.501 3.590 20 30 HHEDLO C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000543020865 1008599178 /nfs/dbraw/zinc/59/91/78/1008599178.db2.gz IZYQKVAYCLJHQU-OAHLLOKOSA-N 1 2 405.889 3.783 20 30 HHEDLO C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@H+]1CCc2ccccc2C1 ZINC000543020865 1008599191 /nfs/dbraw/zinc/59/91/91/1008599191.db2.gz IZYQKVAYCLJHQU-OAHLLOKOSA-N 1 2 405.889 3.783 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543095005 1008669753 /nfs/dbraw/zinc/66/97/53/1008669753.db2.gz GVVAUKZMRGISLY-UHFFFAOYSA-N 1 2 410.518 3.641 20 30 HHEDLO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000549292492 1008865125 /nfs/dbraw/zinc/86/51/25/1008865125.db2.gz YHJLFKOQWBJYFF-UHFFFAOYSA-N 1 2 409.925 3.600 20 30 HHEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)o1 ZINC000544448767 1010071067 /nfs/dbraw/zinc/07/10/67/1010071067.db2.gz YVDKQPIQQSVHDG-FQEVSTJZSA-N 1 2 424.501 3.689 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000544515900 1010141261 /nfs/dbraw/zinc/14/12/61/1010141261.db2.gz RGKQFSRLYFMROO-ZIAGYGMSSA-N 1 2 421.339 3.963 20 30 HHEDLO Cc1csc(C2([NH2+]CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CCC2)n1 ZINC000547297823 1010242659 /nfs/dbraw/zinc/24/26/59/1010242659.db2.gz BIEIXXVPOIAMLO-UHFFFAOYSA-N 1 2 423.542 3.990 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+]2CCCN(c3cccc(Cl)c3C)CC2)c(C#N)c1C ZINC000551451598 1010593700 /nfs/dbraw/zinc/59/37/00/1010593700.db2.gz WFJOKURVYFKPGQ-UHFFFAOYSA-N 1 2 400.910 3.881 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+]2CCCN(c3cccc(Cl)c3C)CC2)c(C#N)c1C ZINC000551451598 1010593711 /nfs/dbraw/zinc/59/37/11/1010593711.db2.gz WFJOKURVYFKPGQ-UHFFFAOYSA-N 1 2 400.910 3.881 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545224487 1010691839 /nfs/dbraw/zinc/69/18/39/1010691839.db2.gz CYJPSCSQBNHTQT-DIFFPNOSSA-N 1 2 403.832 3.564 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(Cl)cc2)C1 ZINC000540749677 1011403237 /nfs/dbraw/zinc/40/32/37/1011403237.db2.gz MRYNEMYLRDYYQP-LEWJYISDSA-N 1 2 409.917 3.697 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(Cl)cc2)C1 ZINC000540749677 1011403243 /nfs/dbraw/zinc/40/32/43/1011403243.db2.gz MRYNEMYLRDYYQP-LEWJYISDSA-N 1 2 409.917 3.697 20 30 HHEDLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1Cl ZINC000536618069 1011776005 /nfs/dbraw/zinc/77/60/05/1011776005.db2.gz XSMUSTPYAHBIBT-FQEVSTJZSA-N 1 2 421.884 3.641 20 30 HHEDLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1Cl ZINC000536618069 1011776012 /nfs/dbraw/zinc/77/60/12/1011776012.db2.gz XSMUSTPYAHBIBT-FQEVSTJZSA-N 1 2 421.884 3.641 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000536675077 1011834781 /nfs/dbraw/zinc/83/47/81/1011834781.db2.gz LPJJCINDJNDRSH-XJKSGUPXSA-N 1 2 424.257 3.910 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000536675077 1011834796 /nfs/dbraw/zinc/83/47/96/1011834796.db2.gz LPJJCINDJNDRSH-XJKSGUPXSA-N 1 2 424.257 3.910 20 30 HHEDLO Cc1c(Cl)cccc1N1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000551734858 1011893945 /nfs/dbraw/zinc/89/39/45/1011893945.db2.gz OHLXJFRXQKYIGG-IBGZPJMESA-N 1 2 414.962 3.899 20 30 HHEDLO Cc1c(Cl)cccc1N1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000551734858 1011893967 /nfs/dbraw/zinc/89/39/67/1011893967.db2.gz OHLXJFRXQKYIGG-IBGZPJMESA-N 1 2 414.962 3.899 20 30 HHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541254461 1011936907 /nfs/dbraw/zinc/93/69/07/1011936907.db2.gz ZKBRLGLXKSTISV-UHFFFAOYSA-N 1 2 407.518 3.583 20 30 HHEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000552332370 1012340895 /nfs/dbraw/zinc/34/08/95/1012340895.db2.gz OKLWECHVBOHNQU-VWLOTQADSA-N 1 2 405.542 3.877 20 30 HHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccco1 ZINC000541630110 1012442967 /nfs/dbraw/zinc/44/29/67/1012442967.db2.gz VYFUFINOMHNGPT-LJQANCHMSA-N 1 2 410.449 3.614 20 30 HHEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cs1 ZINC000541646225 1012467065 /nfs/dbraw/zinc/46/70/65/1012467065.db2.gz AYEVODIRKFADOV-CQSZACIVSA-N 1 2 411.531 3.926 20 30 HHEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000729810098 1072126140 /nfs/dbraw/zinc/12/61/40/1072126140.db2.gz UCFVAWDQNKZQFL-MRXNPFEDSA-N 1 2 404.919 3.938 20 30 HHEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000729810098 1072126142 /nfs/dbraw/zinc/12/61/42/1072126142.db2.gz UCFVAWDQNKZQFL-MRXNPFEDSA-N 1 2 404.919 3.938 20 30 HHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000612057614 1072221552 /nfs/dbraw/zinc/22/15/52/1072221552.db2.gz OZFOLDJQHJIJCL-FQEVSTJZSA-N 1 2 405.951 3.714 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1C#N ZINC001168309935 1072488388 /nfs/dbraw/zinc/48/83/88/1072488388.db2.gz QFYVMEVDNKQLRG-ZWKOTPCHSA-N 1 2 402.420 3.630 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1C#N ZINC001168309935 1072488394 /nfs/dbraw/zinc/48/83/94/1072488394.db2.gz QFYVMEVDNKQLRG-ZWKOTPCHSA-N 1 2 402.420 3.630 20 30 HHEDLO C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000555219518 1073260480 /nfs/dbraw/zinc/26/04/80/1073260480.db2.gz AQXCVOMAKFIBIN-UHFFFAOYSA-N 1 2 408.575 3.813 20 30 HHEDLO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555288320 1073321979 /nfs/dbraw/zinc/32/19/79/1073321979.db2.gz NIKBXIPNTUODSZ-UHFFFAOYSA-N 1 2 406.534 3.702 20 30 HHEDLO N#CC1(CC(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000590307091 1073741813 /nfs/dbraw/zinc/74/18/13/1073741813.db2.gz FNMHDXAJRPWOQQ-UHFFFAOYSA-N 1 2 403.526 3.631 20 30 HHEDLO CC1(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000573871097 1074669117 /nfs/dbraw/zinc/66/91/17/1074669117.db2.gz QVTDWFGBFBGWLK-HXUWFJFHSA-N 1 2 424.932 3.893 20 30 HHEDLO N#Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164666270 719491315 /nfs/dbraw/zinc/49/13/15/719491315.db2.gz CRSRISPXVLOQJQ-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO N#Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164666270 719491318 /nfs/dbraw/zinc/49/13/18/719491318.db2.gz CRSRISPXVLOQJQ-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO N#Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(Br)c1 ZINC000301857689 971088474 /nfs/dbraw/zinc/08/84/74/971088474.db2.gz ZULIJEMQTKIGSO-UHFFFAOYSA-N 1 2 416.319 3.644 20 30 HHEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302158929 971190886 /nfs/dbraw/zinc/19/08/86/971190886.db2.gz JILXNUXSFHHJCN-HNNXBMFYSA-N 1 2 410.319 3.852 20 30 HHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000537562176 1013094370 /nfs/dbraw/zinc/09/43/70/1013094370.db2.gz UZBQVVJOZKWPMA-KRWDZBQOSA-N 1 2 420.542 3.840 20 30 HHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000537562176 1013094388 /nfs/dbraw/zinc/09/43/88/1013094388.db2.gz UZBQVVJOZKWPMA-KRWDZBQOSA-N 1 2 420.542 3.840 20 30 HHEDLO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000303302778 971612968 /nfs/dbraw/zinc/61/29/68/971612968.db2.gz DBFMQRWLVXRPKF-ROUUACIJSA-N 1 2 416.591 3.648 20 30 HHEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000303302778 971612979 /nfs/dbraw/zinc/61/29/79/971612979.db2.gz DBFMQRWLVXRPKF-ROUUACIJSA-N 1 2 416.591 3.648 20 30 HHEDLO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000303394732 971679964 /nfs/dbraw/zinc/67/99/64/971679964.db2.gz PJOZPRJFOCFGDX-MSOLQXFVSA-N 1 2 416.591 3.505 20 30 HHEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000303394732 971679978 /nfs/dbraw/zinc/67/99/78/971679978.db2.gz PJOZPRJFOCFGDX-MSOLQXFVSA-N 1 2 416.591 3.505 20 30 HHEDLO O=C(C[N@@H+]1CCSC[C@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000303684979 971961451 /nfs/dbraw/zinc/96/14/51/971961451.db2.gz LFWBJNMOCYQEQY-FQEVSTJZSA-N 1 2 418.484 3.963 20 30 HHEDLO O=C(C[N@H+]1CCSC[C@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000303684979 971961460 /nfs/dbraw/zinc/96/14/60/971961460.db2.gz LFWBJNMOCYQEQY-FQEVSTJZSA-N 1 2 418.484 3.963 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000303903430 972473197 /nfs/dbraw/zinc/47/31/97/972473197.db2.gz LSMHUILRPXBJDN-NYQDVAGCSA-N 1 2 415.505 3.765 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000303903430 972473204 /nfs/dbraw/zinc/47/32/04/972473204.db2.gz LSMHUILRPXBJDN-NYQDVAGCSA-N 1 2 415.505 3.765 20 30 HHEDLO N#Cc1ccc(N2CC[C@H](C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)C2)c(F)c1 ZINC000553287573 1013243928 /nfs/dbraw/zinc/24/39/28/1013243928.db2.gz WUNWOXHRXOHOAG-FQEVSTJZSA-N 1 2 421.520 3.615 20 30 HHEDLO COc1ccccc1COC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000537685077 1013247510 /nfs/dbraw/zinc/24/75/10/1013247510.db2.gz FSZVNNVDFZTQPF-INIZCTEOSA-N 1 2 411.502 3.785 20 30 HHEDLO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000016591808 963068893 /nfs/dbraw/zinc/06/88/93/963068893.db2.gz BDNRBXVHBGMUKT-AWEZNQCLSA-N 1 2 408.340 3.621 20 30 HHEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000016591808 963068915 /nfs/dbraw/zinc/06/89/15/963068915.db2.gz BDNRBXVHBGMUKT-AWEZNQCLSA-N 1 2 408.340 3.621 20 30 HHEDLO Cc1ccc(-c2nc(CC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000017843629 963234939 /nfs/dbraw/zinc/23/49/39/963234939.db2.gz WYWSGOJPBRFCMG-UHFFFAOYSA-N 1 2 416.550 3.877 20 30 HHEDLO CCC[C@H](NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000022778426 963714633 /nfs/dbraw/zinc/71/46/33/963714633.db2.gz RZZVHEIVJCOSMP-RDPSFJRHSA-N 1 2 404.558 3.722 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000025192144 964205919 /nfs/dbraw/zinc/20/59/19/964205919.db2.gz KPTLPGQNYPAYIO-UHFFFAOYSA-N 1 2 409.555 3.927 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000025192144 964205929 /nfs/dbraw/zinc/20/59/29/964205929.db2.gz KPTLPGQNYPAYIO-UHFFFAOYSA-N 1 2 409.555 3.927 20 30 HHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c(C)c1 ZINC000026644297 964632896 /nfs/dbraw/zinc/63/28/96/964632896.db2.gz MZFHPJAGDWXYBH-QHCPKHFHSA-N 1 2 401.510 3.875 20 30 HHEDLO CC[C@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000028155015 965046734 /nfs/dbraw/zinc/04/67/34/965046734.db2.gz ZUQAVOPWGSBXEE-QHCPKHFHSA-N 1 2 424.976 3.987 20 30 HHEDLO CC[C@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000028155015 965046742 /nfs/dbraw/zinc/04/67/42/965046742.db2.gz ZUQAVOPWGSBXEE-QHCPKHFHSA-N 1 2 424.976 3.987 20 30 HHEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000028708786 965167495 /nfs/dbraw/zinc/16/74/95/965167495.db2.gz QWXWAJOVFDTLMK-HXUWFJFHSA-N 1 2 414.431 3.505 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000053564513 965216161 /nfs/dbraw/zinc/21/61/61/965216161.db2.gz RENIWANNSPALBL-UHFFFAOYSA-N 1 2 402.420 3.604 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000028972444 965229290 /nfs/dbraw/zinc/22/92/90/965229290.db2.gz ZUWSVVCPPZXKIL-UHFFFAOYSA-N 1 2 424.548 3.909 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3Br)CC2)cc1 ZINC000057757995 965538276 /nfs/dbraw/zinc/53/82/76/965538276.db2.gz FXNVXVNHPXBEOG-UHFFFAOYSA-N 1 2 417.282 3.810 20 30 HHEDLO CCCCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000058165708 965643817 /nfs/dbraw/zinc/64/38/17/965643817.db2.gz VMJNELTUOLGFMI-QGZVFWFLSA-N 1 2 420.627 3.868 20 30 HHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000056832175 966485456 /nfs/dbraw/zinc/48/54/56/966485456.db2.gz MBZBXONUQOURFZ-UHFFFAOYSA-N 1 2 404.514 3.880 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1cccc(C#N)c1 ZINC000063300700 966807325 /nfs/dbraw/zinc/80/73/25/966807325.db2.gz ATTMPKZIQJWHTC-UHFFFAOYSA-N 1 2 404.514 3.667 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1cccc(C#N)c1 ZINC000063300700 966807328 /nfs/dbraw/zinc/80/73/28/966807328.db2.gz ATTMPKZIQJWHTC-UHFFFAOYSA-N 1 2 404.514 3.667 20 30 HHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000063401010 966844221 /nfs/dbraw/zinc/84/42/21/966844221.db2.gz GNFHQYIADUWJPN-UHFFFAOYSA-N 1 2 405.458 3.737 20 30 HHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1Br ZINC000063753470 966947738 /nfs/dbraw/zinc/94/77/38/966947738.db2.gz NFQIHIVWRGTFCA-UHFFFAOYSA-N 1 2 419.319 3.987 20 30 HHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1Br ZINC000063753470 966947743 /nfs/dbraw/zinc/94/77/43/966947743.db2.gz NFQIHIVWRGTFCA-UHFFFAOYSA-N 1 2 419.319 3.987 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)cc1 ZINC000043879251 967066739 /nfs/dbraw/zinc/06/67/39/967066739.db2.gz DVCKBSJBEHJTHA-UHFFFAOYSA-N 1 2 404.392 3.807 20 30 HHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000045039926 967340114 /nfs/dbraw/zinc/34/01/14/967340114.db2.gz JVRNVCLZJOGMOM-MRXNPFEDSA-N 1 2 414.456 3.748 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000045611974 967516249 /nfs/dbraw/zinc/51/62/49/967516249.db2.gz XBZMXMYUTXAJJJ-UHFFFAOYSA-N 1 2 407.461 3.646 20 30 HHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(OC(F)F)c1 ZINC000046611232 967880875 /nfs/dbraw/zinc/88/08/75/967880875.db2.gz WFVFZEAESVWZSX-MRXNPFEDSA-N 1 2 414.456 3.748 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCOc4c(Cl)cccc43)CC2)cc1 ZINC000538290138 1013825915 /nfs/dbraw/zinc/82/59/15/1013825915.db2.gz IQIKJMYFXGEHEU-OAQYLSRUSA-N 1 2 424.932 3.953 20 30 HHEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000071891124 968882537 /nfs/dbraw/zinc/88/25/37/968882537.db2.gz MEFANTKKQIQPJS-HXUWFJFHSA-N 1 2 405.951 3.714 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078714793 969013300 /nfs/dbraw/zinc/01/33/00/969013300.db2.gz BQONFGPRFCUMSS-ICSRJNTNSA-N 1 2 424.570 3.961 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078714793 969013310 /nfs/dbraw/zinc/01/33/10/969013310.db2.gz BQONFGPRFCUMSS-ICSRJNTNSA-N 1 2 424.570 3.961 20 30 HHEDLO O=C(C[NH2+][C@H](c1ccccc1)c1ccccn1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000097057470 969085828 /nfs/dbraw/zinc/08/58/28/969085828.db2.gz BTEPSZUHIXTWQP-HSZRJFAPSA-N 1 2 423.438 3.947 20 30 HHEDLO Cc1csc(CC(=[NH2+])NOC=C(O)c2cc(C)n(CCc3cccs3)c2C)n1 ZINC000097506221 969149750 /nfs/dbraw/zinc/14/97/50/969149750.db2.gz SZQMICSSERZUFF-UHFFFAOYSA-N 1 2 416.572 3.888 20 30 HHEDLO Cc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000108178147 969362673 /nfs/dbraw/zinc/36/26/73/969362673.db2.gz KJUKDZXRXAZYSH-INIZCTEOSA-N 1 2 424.932 3.742 20 30 HHEDLO N#CCCN(C(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000109102017 969462260 /nfs/dbraw/zinc/46/22/60/969462260.db2.gz YJLMUFNIWUQMPU-XMMPIXPASA-N 1 2 412.493 3.903 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(C#N)c1C ZINC000110003296 969608134 /nfs/dbraw/zinc/60/81/34/969608134.db2.gz VEHQHQXIBBJGNK-INIZCTEOSA-N 1 2 423.448 3.775 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c(C#N)c1C ZINC000110003296 969608138 /nfs/dbraw/zinc/60/81/38/969608138.db2.gz VEHQHQXIBBJGNK-INIZCTEOSA-N 1 2 423.448 3.775 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)c(F)c1 ZINC000110301792 969649998 /nfs/dbraw/zinc/64/99/98/969649998.db2.gz SFOSPFAKGAQACA-OAHLLOKOSA-N 1 2 424.303 3.566 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c1C ZINC000110986581 969754846 /nfs/dbraw/zinc/75/48/46/969754846.db2.gz FELPKUOFZOXADB-UHFFFAOYSA-N 1 2 400.567 3.570 20 30 HHEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCCNc3cccc[nH+]3)c2)c1 ZINC000117172339 969940565 /nfs/dbraw/zinc/94/05/65/969940565.db2.gz KBVPHVWBEIHPDT-UHFFFAOYSA-N 1 2 414.465 3.502 20 30 HHEDLO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000139188585 970023784 /nfs/dbraw/zinc/02/37/84/970023784.db2.gz WLPFHBQACWXOSJ-JOCHJYFZSA-N 1 2 415.497 3.918 20 30 HHEDLO CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000139188585 970023789 /nfs/dbraw/zinc/02/37/89/970023789.db2.gz WLPFHBQACWXOSJ-JOCHJYFZSA-N 1 2 415.497 3.918 20 30 HHEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000554565102 1013979018 /nfs/dbraw/zinc/97/90/18/1013979018.db2.gz YGAXUZIVKKOKQN-LJQANCHMSA-N 1 2 402.542 3.695 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000554566030 1013979069 /nfs/dbraw/zinc/97/90/69/1013979069.db2.gz MYDGXRYKCBEAKX-DEOSSOPVSA-N 1 2 402.542 3.986 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000261369445 970628427 /nfs/dbraw/zinc/62/84/27/970628427.db2.gz VCIZSXROUWBOPW-SFHVURJKSA-N 1 2 405.498 3.622 20 30 HHEDLO C[C@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc(C#N)cc1 ZINC000409581009 973030664 /nfs/dbraw/zinc/03/06/64/973030664.db2.gz JBSCGBQCGKALMW-INIZCTEOSA-N 1 2 413.481 3.574 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c(C)c1 ZINC000409894368 973357117 /nfs/dbraw/zinc/35/71/17/973357117.db2.gz BWVLRZHGIJXKLZ-HSZRJFAPSA-N 1 2 410.481 3.729 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@@H](O)[C@@H](C)C3)sc2C1 ZINC000426161951 974275334 /nfs/dbraw/zinc/27/53/34/974275334.db2.gz PJOFJXIAOVTFGF-HDMKZQKVSA-N 1 2 403.592 3.802 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@@H](O)[C@@H](C)C3)sc2C1 ZINC000426161951 974275340 /nfs/dbraw/zinc/27/53/40/974275340.db2.gz PJOFJXIAOVTFGF-HDMKZQKVSA-N 1 2 403.592 3.802 20 30 HHEDLO COCC[N@H+](Cc1cc(Br)cs1)Cc1cnc2ccc(C#N)cn12 ZINC000426389802 974427246 /nfs/dbraw/zinc/42/72/46/974427246.db2.gz MJEQNMJNOQZALF-UHFFFAOYSA-N 1 2 405.321 3.679 20 30 HHEDLO COCC[N@@H+](Cc1cc(Br)cs1)Cc1cnc2ccc(C#N)cn12 ZINC000426389802 974427249 /nfs/dbraw/zinc/42/72/49/974427249.db2.gz MJEQNMJNOQZALF-UHFFFAOYSA-N 1 2 405.321 3.679 20 30 HHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000428368202 975687380 /nfs/dbraw/zinc/68/73/80/975687380.db2.gz CFYSAXYCBYYTAM-UHFFFAOYSA-N 1 2 417.282 3.706 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428811379 976090820 /nfs/dbraw/zinc/09/08/20/976090820.db2.gz ZXKNUWYLNQXFAP-WFASDCNBSA-N 1 2 405.285 3.740 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428811379 976090829 /nfs/dbraw/zinc/09/08/29/976090829.db2.gz ZXKNUWYLNQXFAP-WFASDCNBSA-N 1 2 405.285 3.740 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)nc1 ZINC000428820984 976101478 /nfs/dbraw/zinc/10/14/78/976101478.db2.gz UHIVJXQIIGGAAN-PVPMGCCUSA-N 1 2 410.326 3.521 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)nc1 ZINC000428820984 976101485 /nfs/dbraw/zinc/10/14/85/976101485.db2.gz UHIVJXQIIGGAAN-PVPMGCCUSA-N 1 2 410.326 3.521 20 30 HHEDLO N#CCCn1ncc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1-c1ccccc1 ZINC000428898995 976201698 /nfs/dbraw/zinc/20/16/98/976201698.db2.gz DTTAXLXYDKRYGJ-UHFFFAOYSA-N 1 2 415.497 3.548 20 30 HHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2c(Br)cccc12 ZINC000429062241 976349726 /nfs/dbraw/zinc/34/97/26/976349726.db2.gz UIHFFQHBGRVSCA-HNNXBMFYSA-N 1 2 422.330 3.975 20 30 HHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2c(Br)cccc12 ZINC000429062241 976349739 /nfs/dbraw/zinc/34/97/39/976349739.db2.gz UIHFFQHBGRVSCA-HNNXBMFYSA-N 1 2 422.330 3.975 20 30 HHEDLO N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000429112763 976394603 /nfs/dbraw/zinc/39/46/03/976394603.db2.gz IFRMOESQVFICGP-HXUWFJFHSA-N 1 2 401.470 3.665 20 30 HHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)c1C ZINC000429649275 976943322 /nfs/dbraw/zinc/94/33/22/976943322.db2.gz BZYVTQOABIUYGP-UHFFFAOYSA-N 1 2 403.486 3.756 20 30 HHEDLO C=CCN1C(=O)N(Cc2cc[nH+]c(N3CCCCC3)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430820304 977776709 /nfs/dbraw/zinc/77/67/09/977776709.db2.gz FJJVKPLAXJOUBA-NRFANRHFSA-N 1 2 404.514 3.633 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000432064481 978666170 /nfs/dbraw/zinc/66/61/70/978666170.db2.gz TVDONKYEHILUQT-UHFFFAOYSA-N 1 2 417.538 3.891 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000432064481 978666172 /nfs/dbraw/zinc/66/61/72/978666172.db2.gz TVDONKYEHILUQT-UHFFFAOYSA-N 1 2 417.538 3.891 20 30 HHEDLO N#Cc1cnc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(Cl)c1 ZINC000432574212 978895666 /nfs/dbraw/zinc/89/56/66/978895666.db2.gz OYBCMCHYXRLOKV-MRXNPFEDSA-N 1 2 407.276 3.966 20 30 HHEDLO CCCc1c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cnn1-c1cccc(C#N)c1 ZINC000433829537 979608398 /nfs/dbraw/zinc/60/83/98/979608398.db2.gz DWRXQUAMUUNEGA-HXUWFJFHSA-N 1 2 416.485 3.777 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c1 ZINC000434781320 980395567 /nfs/dbraw/zinc/39/55/67/980395567.db2.gz BVJQLTOXRYHBDL-UHFFFAOYSA-N 1 2 418.522 3.560 20 30 HHEDLO CC[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(F)(F)F)cs1 ZINC000434881263 980465631 /nfs/dbraw/zinc/46/56/31/980465631.db2.gz UAVNRJSJLYITJB-WDEREUQCSA-N 1 2 400.451 3.941 20 30 HHEDLO Cc1cc(N2CCN(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000436496097 981400681 /nfs/dbraw/zinc/40/06/81/981400681.db2.gz IEMXMIMQTCNOFU-UHFFFAOYSA-N 1 2 421.549 3.509 20 30 HHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438631628 982951303 /nfs/dbraw/zinc/95/13/03/982951303.db2.gz VRTVTBVMNCVOKW-AWEZNQCLSA-N 1 2 403.408 3.883 20 30 HHEDLO COc1ccc([C@@H](CNc2c(C#N)cnc3c(C)cc(C)cc32)[NH+]2CCOCC2)cc1 ZINC000461448097 983113420 /nfs/dbraw/zinc/11/34/20/983113420.db2.gz JKHGZTIMXDJBIH-HSZRJFAPSA-N 1 2 416.525 3.639 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCc3cc(OCC)ccc3C2)cc1 ZINC000441059448 984048728 /nfs/dbraw/zinc/04/87/28/984048728.db2.gz DEEAIXKVXLVLPV-UHFFFAOYSA-N 1 2 407.514 3.789 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCc3cc(OCC)ccc3C2)cc1 ZINC000441059448 984048735 /nfs/dbraw/zinc/04/87/35/984048735.db2.gz DEEAIXKVXLVLPV-UHFFFAOYSA-N 1 2 407.514 3.789 20 30 HHEDLO COc1cccc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]2CCCO2)c1 ZINC000441235283 984130440 /nfs/dbraw/zinc/13/04/40/984130440.db2.gz SBMUXXGBFOSEAQ-OAQYLSRUSA-N 1 2 404.470 3.798 20 30 HHEDLO COc1cccc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]2CCCO2)c1 ZINC000441235283 984130441 /nfs/dbraw/zinc/13/04/41/984130441.db2.gz SBMUXXGBFOSEAQ-OAQYLSRUSA-N 1 2 404.470 3.798 20 30 HHEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1O ZINC000442964572 985305509 /nfs/dbraw/zinc/30/55/09/985305509.db2.gz KQNDKHNSDCVITR-UHFFFAOYSA-N 1 2 404.297 3.965 20 30 HHEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1O ZINC000443107087 985378838 /nfs/dbraw/zinc/37/88/38/985378838.db2.gz JYPYGKXNNUKYNC-UHFFFAOYSA-N 1 2 404.297 3.965 20 30 HHEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000462572664 985520104 /nfs/dbraw/zinc/52/01/04/985520104.db2.gz KIPMRWGNFHDNHC-CYBMUJFWSA-N 1 2 420.416 3.802 20 30 HHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000463046369 986005918 /nfs/dbraw/zinc/00/59/18/986005918.db2.gz ZUIVWTWPVRVIPO-IBGZPJMESA-N 1 2 424.570 3.680 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463359312 986324950 /nfs/dbraw/zinc/32/49/50/986324950.db2.gz GXJKPHXPXQZAAX-WZONZLPQSA-N 1 2 409.555 3.513 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463359312 986324961 /nfs/dbraw/zinc/32/49/61/986324961.db2.gz GXJKPHXPXQZAAX-WZONZLPQSA-N 1 2 409.555 3.513 20 30 HHEDLO C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000468841545 986551560 /nfs/dbraw/zinc/55/15/60/986551560.db2.gz FSQORPHZGQAYRR-KXBFYZLASA-N 1 2 406.515 3.917 20 30 HHEDLO C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@@H]1n1cc[nH+]c1 ZINC000468841266 986551668 /nfs/dbraw/zinc/55/16/68/986551668.db2.gz FSQORPHZGQAYRR-BEFAXECRSA-N 1 2 406.515 3.917 20 30 HHEDLO N#Cc1ccc(Oc2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc2)nc1 ZINC000445823416 987891052 /nfs/dbraw/zinc/89/10/52/987891052.db2.gz DYVJKBHCIJRYIK-PKOBYXMFSA-N 1 2 403.442 3.721 20 30 HHEDLO N#Cc1ccc(Oc2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc2)nc1 ZINC000445823416 987891054 /nfs/dbraw/zinc/89/10/54/987891054.db2.gz DYVJKBHCIJRYIK-PKOBYXMFSA-N 1 2 403.442 3.721 20 30 HHEDLO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2Cl)c(C)c1 ZINC000470530153 988533416 /nfs/dbraw/zinc/53/34/16/988533416.db2.gz HDZDZOAZDOSHMU-QHCPKHFHSA-N 1 2 424.932 3.992 20 30 HHEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)sc1C ZINC000471010854 989080817 /nfs/dbraw/zinc/08/08/17/989080817.db2.gz HSEPVQPPLWZRRG-SFHVURJKSA-N 1 2 421.526 3.847 20 30 HHEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)sc1C ZINC000471010854 989080826 /nfs/dbraw/zinc/08/08/26/989080826.db2.gz HSEPVQPPLWZRRG-SFHVURJKSA-N 1 2 421.526 3.847 20 30 HHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000471149402 989264012 /nfs/dbraw/zinc/26/40/12/989264012.db2.gz VEIQRJPBSDTTAV-XMMPIXPASA-N 1 2 402.542 3.695 20 30 HHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000464971210 989271961 /nfs/dbraw/zinc/27/19/61/989271961.db2.gz HFXHGGASRFEUKN-JOCHJYFZSA-N 1 2 419.525 3.986 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)CC2)cc1 ZINC000466162392 991351079 /nfs/dbraw/zinc/35/10/79/991351079.db2.gz JRQLRMBIDHOLJO-UHFFFAOYSA-N 1 2 421.932 3.763 20 30 HHEDLO Cc1ccc(-n2cc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn2)c(C)c1 ZINC000466939309 992249627 /nfs/dbraw/zinc/24/96/27/992249627.db2.gz QXLFZZULPIPRLR-UHFFFAOYSA-N 1 2 414.513 3.711 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000467196996 992519775 /nfs/dbraw/zinc/51/97/75/992519775.db2.gz SSNFROFYMHGGFH-FQEVSTJZSA-N 1 2 407.562 3.961 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000467196996 992519785 /nfs/dbraw/zinc/51/97/85/992519785.db2.gz SSNFROFYMHGGFH-FQEVSTJZSA-N 1 2 407.562 3.961 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3cccs3)C2)sc2c1CCCC2 ZINC000472815129 993752104 /nfs/dbraw/zinc/75/21/04/993752104.db2.gz YUXVOHCLUPBHBH-INIZCTEOSA-N 1 2 401.557 3.962 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3cccs3)C2)sc2c1CCCC2 ZINC000472815129 993752115 /nfs/dbraw/zinc/75/21/15/993752115.db2.gz YUXVOHCLUPBHBH-INIZCTEOSA-N 1 2 401.557 3.962 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000473201561 994063392 /nfs/dbraw/zinc/06/33/92/994063392.db2.gz UHYYNBWIIJCKLB-MRXNPFEDSA-N 1 2 405.589 3.617 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000473201561 994063403 /nfs/dbraw/zinc/06/34/03/994063403.db2.gz UHYYNBWIIJCKLB-MRXNPFEDSA-N 1 2 405.589 3.617 20 30 HHEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000482524811 995533848 /nfs/dbraw/zinc/53/38/48/995533848.db2.gz IZAPGCCHDAUUOD-PXNSSMCTSA-N 1 2 406.486 3.677 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000483268434 996072189 /nfs/dbraw/zinc/07/21/89/996072189.db2.gz FGKYNWKGJDDZFB-FQEVSTJZSA-N 1 2 414.509 3.966 20 30 HHEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(-c2ccncc2)n1 ZINC000475345831 996081214 /nfs/dbraw/zinc/08/12/14/996081214.db2.gz DKHNKCZLTVIXIM-NRFANRHFSA-N 1 2 406.921 3.518 20 30 HHEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000483285643 996081293 /nfs/dbraw/zinc/08/12/93/996081293.db2.gz SZDDNMXDGJWOHD-UHFFFAOYSA-N 1 2 412.515 3.907 20 30 HHEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(-c2cccnc2)n1 ZINC000475357197 996087877 /nfs/dbraw/zinc/08/78/77/996087877.db2.gz YTMCRWATOSWIIV-NRFANRHFSA-N 1 2 406.921 3.518 20 30 HHEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000484556113 996888373 /nfs/dbraw/zinc/88/83/73/996888373.db2.gz LWTSEPXMEWBCOC-IBGZPJMESA-N 1 2 407.470 3.838 20 30 HHEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000484556113 996888386 /nfs/dbraw/zinc/88/83/86/996888386.db2.gz LWTSEPXMEWBCOC-IBGZPJMESA-N 1 2 407.470 3.838 20 30 HHEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000476530307 997019612 /nfs/dbraw/zinc/01/96/12/997019612.db2.gz FROPCGIYDRHNGM-FUHWJXTLSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000476530307 997019621 /nfs/dbraw/zinc/01/96/21/997019621.db2.gz FROPCGIYDRHNGM-FUHWJXTLSA-N 1 2 410.326 3.589 20 30 HHEDLO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477490134 998211083 /nfs/dbraw/zinc/21/10/83/998211083.db2.gz FLAWATZPJQHOBX-MSOLQXFVSA-N 1 2 413.946 3.616 20 30 HHEDLO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477490134 998211097 /nfs/dbraw/zinc/21/10/97/998211097.db2.gz FLAWATZPJQHOBX-MSOLQXFVSA-N 1 2 413.946 3.616 20 30 HHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485749643 998220773 /nfs/dbraw/zinc/22/07/73/998220773.db2.gz ZFNSADCTLVPIKC-QFIPXVFZSA-N 1 2 404.514 3.713 20 30 HHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485749643 998220786 /nfs/dbraw/zinc/22/07/86/998220786.db2.gz ZFNSADCTLVPIKC-QFIPXVFZSA-N 1 2 404.514 3.713 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000477862766 998613219 /nfs/dbraw/zinc/61/32/19/998613219.db2.gz OPGOZTFUNOWISH-UHFFFAOYSA-N 1 2 412.415 3.801 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3NCc3ccco3)CC2)cc1 ZINC000478161390 998794623 /nfs/dbraw/zinc/79/46/23/998794623.db2.gz PWSNTKBXLPADCE-UHFFFAOYSA-N 1 2 400.482 3.721 20 30 HHEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000486523281 998806958 /nfs/dbraw/zinc/80/69/58/998806958.db2.gz WIIPHJRRCANFJC-QHCPKHFHSA-N 1 2 414.509 3.522 20 30 HHEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000486523281 998806961 /nfs/dbraw/zinc/80/69/61/998806961.db2.gz WIIPHJRRCANFJC-QHCPKHFHSA-N 1 2 414.509 3.522 20 30 HHEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(-c4ccc(F)cc4)n3)C2=O)cc1 ZINC000486903095 998999033 /nfs/dbraw/zinc/99/90/33/998999033.db2.gz MRSLDKZRVUXNDP-FQEVSTJZSA-N 1 2 406.486 3.712 20 30 HHEDLO Fc1ccc(-c2nnc(SCC#Cc3ccccc3)n2CC[NH+]2CCOCC2)cc1 ZINC000478530393 999011942 /nfs/dbraw/zinc/01/19/42/999011942.db2.gz QQXDTUWCOCHUML-UHFFFAOYSA-N 1 2 422.529 3.560 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)CC2)cc1 ZINC000487872687 999300453 /nfs/dbraw/zinc/30/04/53/999300453.db2.gz DOKQVUZQOZYDNF-UHFFFAOYSA-N 1 2 424.302 3.542 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937099 999321845 /nfs/dbraw/zinc/32/18/45/999321845.db2.gz VGGVTRKYZXVXSV-CYBMUJFWSA-N 1 2 402.296 3.541 20 30 HHEDLO CC(C)n1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1-c1ccccc1 ZINC000488577602 999533768 /nfs/dbraw/zinc/53/37/68/999533768.db2.gz MFBHDIVQPDIIOT-UHFFFAOYSA-N 1 2 413.525 3.961 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CCn2c3ccccc3[nH+]c2NCc2ccccc2)cc1 ZINC000480307518 999767841 /nfs/dbraw/zinc/76/78/41/999767841.db2.gz OCKOCQVMNJIUAD-UHFFFAOYSA-N 1 2 416.506 3.994 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000489534387 999786498 /nfs/dbraw/zinc/78/64/98/999786498.db2.gz CCODAPFRWONQID-WOJBJXKFSA-N 1 2 400.885 3.592 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000489534387 999786499 /nfs/dbraw/zinc/78/64/99/999786499.db2.gz CCODAPFRWONQID-WOJBJXKFSA-N 1 2 400.885 3.592 20 30 HHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1I ZINC000491397312 1000071573 /nfs/dbraw/zinc/07/15/73/1000071573.db2.gz OROZCAOVRLYTNG-UHFFFAOYSA-N 1 2 410.255 3.553 20 30 HHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1I ZINC000491397312 1000071576 /nfs/dbraw/zinc/07/15/76/1000071576.db2.gz OROZCAOVRLYTNG-UHFFFAOYSA-N 1 2 410.255 3.553 20 30 HHEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491935994 1000101237 /nfs/dbraw/zinc/10/12/37/1000101237.db2.gz DHARTBPHFPNYAL-UHFFFAOYSA-N 1 2 411.962 3.991 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492371584 1000123698 /nfs/dbraw/zinc/12/36/98/1000123698.db2.gz DKKBICICDLHDQU-UHFFFAOYSA-N 1 2 413.568 3.866 20 30 HHEDLO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505314931 1000695738 /nfs/dbraw/zinc/69/57/38/1000695738.db2.gz SAOPLKSUPURRSE-QZTJIDSGSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505314931 1000695743 /nfs/dbraw/zinc/69/57/43/1000695743.db2.gz SAOPLKSUPURRSE-QZTJIDSGSA-N 1 2 404.297 3.575 20 30 HHEDLO N#Cc1cccc(F)c1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000505325555 1000702971 /nfs/dbraw/zinc/70/29/71/1000702971.db2.gz IULAMLFQWJSYGJ-IBGZPJMESA-N 1 2 403.860 3.986 20 30 HHEDLO C[C@H](NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000505363903 1000724864 /nfs/dbraw/zinc/72/48/64/1000724864.db2.gz INROVBPNRFHVIM-KRWDZBQOSA-N 1 2 412.921 3.679 20 30 HHEDLO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000505552750 1000898395 /nfs/dbraw/zinc/89/83/95/1000898395.db2.gz DLJGSYMHBVIVMJ-HIFRSBDPSA-N 1 2 413.547 3.787 20 30 HHEDLO Cc1noc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000505552750 1000898399 /nfs/dbraw/zinc/89/83/99/1000898399.db2.gz DLJGSYMHBVIVMJ-HIFRSBDPSA-N 1 2 413.547 3.787 20 30 HHEDLO C=CCOc1ccc(C[N@H+](CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1 ZINC000505631236 1000944258 /nfs/dbraw/zinc/94/42/58/1000944258.db2.gz HPZJYCPFQILCNV-UHFFFAOYSA-N 1 2 409.486 3.940 20 30 HHEDLO C=CCOc1ccc(C[N@@H+](CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1 ZINC000505631236 1000944268 /nfs/dbraw/zinc/94/42/68/1000944268.db2.gz HPZJYCPFQILCNV-UHFFFAOYSA-N 1 2 409.486 3.940 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000505643530 1000950980 /nfs/dbraw/zinc/95/09/80/1000950980.db2.gz DWQGXXLBPUNBAS-LEWJYISDSA-N 1 2 411.933 3.959 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000505643530 1000950986 /nfs/dbraw/zinc/95/09/86/1000950986.db2.gz DWQGXXLBPUNBAS-LEWJYISDSA-N 1 2 411.933 3.959 20 30 HHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000505718576 1000991991 /nfs/dbraw/zinc/99/19/91/1000991991.db2.gz FLNSRPBMAHPOJU-NRFANRHFSA-N 1 2 400.507 3.891 20 30 HHEDLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)nn1-c1cccc(C#N)c1 ZINC000505736367 1000999420 /nfs/dbraw/zinc/99/94/20/1000999420.db2.gz OXBXJHCWNHATDP-OAHLLOKOSA-N 1 2 420.542 3.993 20 30 HHEDLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)nn1-c1cccc(C#N)c1 ZINC000505736367 1000999427 /nfs/dbraw/zinc/99/94/27/1000999427.db2.gz OXBXJHCWNHATDP-OAHLLOKOSA-N 1 2 420.542 3.993 20 30 HHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000506099366 1001219522 /nfs/dbraw/zinc/21/95/22/1001219522.db2.gz PKQBSZMKBKVCKE-UHFFFAOYSA-N 1 2 421.495 3.957 20 30 HHEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000506129642 1001238260 /nfs/dbraw/zinc/23/82/60/1001238260.db2.gz BQDXJUUBNZNQSE-UHFFFAOYSA-N 1 2 413.905 3.814 20 30 HHEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1 ZINC000506129642 1001238265 /nfs/dbraw/zinc/23/82/65/1001238265.db2.gz BQDXJUUBNZNQSE-UHFFFAOYSA-N 1 2 413.905 3.814 20 30 HHEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000497554779 1001432955 /nfs/dbraw/zinc/43/29/55/1001432955.db2.gz KKLVFCOBXXRNNO-UHFFFAOYSA-N 1 2 406.273 3.533 20 30 HHEDLO C=CCc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc(OC)c1O ZINC000506669083 1001488849 /nfs/dbraw/zinc/48/88/49/1001488849.db2.gz OAKOSHDKCSUGQO-JOCHJYFZSA-N 1 2 406.526 3.679 20 30 HHEDLO C=CCc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc(OC)c1O ZINC000506669083 1001488851 /nfs/dbraw/zinc/48/88/51/1001488851.db2.gz OAKOSHDKCSUGQO-JOCHJYFZSA-N 1 2 406.526 3.679 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497721829 1001495479 /nfs/dbraw/zinc/49/54/79/1001495479.db2.gz IBIQIEQTRPZDRR-LEWJYISDSA-N 1 2 414.912 3.982 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497721829 1001495482 /nfs/dbraw/zinc/49/54/82/1001495482.db2.gz IBIQIEQTRPZDRR-LEWJYISDSA-N 1 2 414.912 3.982 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507039600 1001776425 /nfs/dbraw/zinc/77/64/25/1001776425.db2.gz NVSZJMVHPDRSCW-LJQANCHMSA-N 1 2 423.586 3.913 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507227815 1001913964 /nfs/dbraw/zinc/91/39/64/1001913964.db2.gz DPTUHRXLFCIPES-JPYJTQIMSA-N 1 2 407.514 3.576 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507227815 1001913970 /nfs/dbraw/zinc/91/39/70/1001913970.db2.gz DPTUHRXLFCIPES-JPYJTQIMSA-N 1 2 407.514 3.576 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 ZINC000498585251 1001997456 /nfs/dbraw/zinc/99/74/56/1001997456.db2.gz WHEYGFKDIKTKOU-SFTDATJTSA-N 1 2 424.342 3.769 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498861043 1002245847 /nfs/dbraw/zinc/24/58/47/1002245847.db2.gz JDDIBHIAXVEECZ-UXHICEINSA-N 1 2 415.946 3.757 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498861043 1002245856 /nfs/dbraw/zinc/24/58/56/1002245856.db2.gz JDDIBHIAXVEECZ-UXHICEINSA-N 1 2 415.946 3.757 20 30 HHEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507698582 1002291438 /nfs/dbraw/zinc/29/14/38/1002291438.db2.gz GDCBYQUEQGIWLG-TZIWHRDSSA-N 1 2 418.324 3.830 20 30 HHEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507698582 1002291427 /nfs/dbraw/zinc/29/14/27/1002291427.db2.gz GDCBYQUEQGIWLG-TZIWHRDSSA-N 1 2 418.324 3.830 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000499557071 1002938070 /nfs/dbraw/zinc/93/80/70/1002938070.db2.gz NPHIXHRYJAWYJJ-OALUTQOASA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000499557071 1002938075 /nfs/dbraw/zinc/93/80/75/1002938075.db2.gz NPHIXHRYJAWYJJ-OALUTQOASA-N 1 2 402.857 3.544 20 30 HHEDLO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000508461481 1002946866 /nfs/dbraw/zinc/94/68/66/1002946866.db2.gz MNEBZLXNBFPIJU-UHFFFAOYSA-N 1 2 424.574 3.683 20 30 HHEDLO C=CCn1c(CC2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508476680 1002960748 /nfs/dbraw/zinc/96/07/48/1002960748.db2.gz FXGLQDZMSCIZKA-UHFFFAOYSA-N 1 2 409.582 3.745 20 30 HHEDLO COc1ccc2oc(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2c1 ZINC000508583303 1003044971 /nfs/dbraw/zinc/04/49/71/1003044971.db2.gz QEDCTVOJGYNRRP-UHFFFAOYSA-N 1 2 404.426 3.883 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000508645085 1003092435 /nfs/dbraw/zinc/09/24/35/1003092435.db2.gz JXENLOOWEQTYND-UHFFFAOYSA-N 1 2 404.470 3.917 20 30 HHEDLO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000508953572 1003410517 /nfs/dbraw/zinc/41/05/17/1003410517.db2.gz VBSRMJKQTMZPNF-UHFFFAOYSA-N 1 2 411.481 3.502 20 30 HHEDLO Cc1nc2ccccn2c1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501062535 1004164277 /nfs/dbraw/zinc/16/42/77/1004164277.db2.gz JNQMCOHFODTPHT-IBGZPJMESA-N 1 2 424.346 3.788 20 30 HHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 ZINC000512288070 1004190189 /nfs/dbraw/zinc/19/01/89/1004190189.db2.gz YCODEDTWYZPFRW-UHFFFAOYSA-N 1 2 411.933 3.909 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C ZINC000509950810 1004228406 /nfs/dbraw/zinc/22/84/06/1004228406.db2.gz BLMNCLGUAIVANX-UHFFFAOYSA-N 1 2 402.502 3.824 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](NC(=O)CC)C2)cc1OC ZINC000512416730 1004283878 /nfs/dbraw/zinc/28/38/78/1004283878.db2.gz VCRAGGJJENQQOH-OAHLLOKOSA-N 1 2 411.340 3.513 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](NC(=O)CC)C2)cc1OC ZINC000512416730 1004283888 /nfs/dbraw/zinc/28/38/88/1004283888.db2.gz VCRAGGJJENQQOH-OAHLLOKOSA-N 1 2 411.340 3.513 20 30 HHEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](CO)c1cccc(Br)c1 ZINC000501422120 1004410590 /nfs/dbraw/zinc/41/05/90/1004410590.db2.gz TZSXYIMIXSLQNW-QGZVFWFLSA-N 1 2 422.710 3.578 20 30 HHEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](CO)c1cccc(Br)c1 ZINC000501422120 1004410598 /nfs/dbraw/zinc/41/05/98/1004410598.db2.gz TZSXYIMIXSLQNW-QGZVFWFLSA-N 1 2 422.710 3.578 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)o2)c1 ZINC000512802256 1004567478 /nfs/dbraw/zinc/56/74/78/1004567478.db2.gz RXHVATJHFNWYHZ-UHFFFAOYSA-N 1 2 403.417 3.662 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CCCS(=O)(=O)c3ccc(F)cc3)CC2)c(F)c1 ZINC000512812436 1004574873 /nfs/dbraw/zinc/57/48/73/1004574873.db2.gz UGLFLGLPRSOWCI-UHFFFAOYSA-N 1 2 420.481 3.544 20 30 HHEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000513113138 1004813527 /nfs/dbraw/zinc/81/35/27/1004813527.db2.gz JYMGDBOBMOHZCJ-UHFFFAOYSA-N 1 2 400.482 3.643 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CCc2nccs2)cc1 ZINC000510788719 1004852967 /nfs/dbraw/zinc/85/29/67/1004852967.db2.gz ZHPGATVAQMLUCY-UHFFFAOYSA-N 1 2 423.542 3.544 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)CCc2nccs2)cc1 ZINC000510788719 1004852973 /nfs/dbraw/zinc/85/29/73/1004852973.db2.gz ZHPGATVAQMLUCY-UHFFFAOYSA-N 1 2 423.542 3.544 20 30 HHEDLO CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510871573 1004902862 /nfs/dbraw/zinc/90/28/62/1004902862.db2.gz GDFQDVLPMIHFFH-UHFFFAOYSA-N 1 2 409.505 3.942 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502144940 1004922027 /nfs/dbraw/zinc/92/20/27/1004922027.db2.gz ODAQYNCQRMQWSU-GOSISDBHSA-N 1 2 407.518 3.547 20 30 HHEDLO CCCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000502184099 1004944309 /nfs/dbraw/zinc/94/43/09/1004944309.db2.gz DETNXWMWLOSVLO-UHFFFAOYSA-N 1 2 406.530 3.920 20 30 HHEDLO N#Cc1cccc(NC(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000513524501 1005004440 /nfs/dbraw/zinc/00/44/40/1005004440.db2.gz IODUROKDXZJQGH-UHFFFAOYSA-N 1 2 414.263 3.845 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3N3CCCCC3)CC2)cc1 ZINC000511245601 1005089139 /nfs/dbraw/zinc/08/91/39/1005089139.db2.gz DMUAJKAVPCUZEW-UHFFFAOYSA-N 1 2 403.530 3.898 20 30 HHEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502526377 1005102866 /nfs/dbraw/zinc/10/28/66/1005102866.db2.gz AOLHPSVGDNQGFT-UHFFFAOYSA-N 1 2 416.525 3.768 20 30 HHEDLO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502526377 1005102873 /nfs/dbraw/zinc/10/28/73/1005102873.db2.gz AOLHPSVGDNQGFT-UHFFFAOYSA-N 1 2 416.525 3.768 20 30 HHEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000503795206 1005494008 /nfs/dbraw/zinc/49/40/08/1005494008.db2.gz CBWFKQNTWOVHGS-AEFFLSMTSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000503795206 1005494009 /nfs/dbraw/zinc/49/40/09/1005494009.db2.gz CBWFKQNTWOVHGS-AEFFLSMTSA-N 1 2 410.326 3.589 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cccc(Br)c3)CC2)cc1 ZINC000514641048 1006068896 /nfs/dbraw/zinc/06/88/96/1006068896.db2.gz YGQLMUKVMHSFAU-UHFFFAOYSA-N 1 2 412.331 3.598 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000532773405 1007174824 /nfs/dbraw/zinc/17/48/24/1007174824.db2.gz JTLWFGOEUBQWGB-IRXDYDNUSA-N 1 2 411.527 3.649 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000532773405 1007174833 /nfs/dbraw/zinc/17/48/33/1007174833.db2.gz JTLWFGOEUBQWGB-IRXDYDNUSA-N 1 2 411.527 3.649 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c1C#N ZINC000532988704 1007360058 /nfs/dbraw/zinc/36/00/58/1007360058.db2.gz JIQBUQKLQHLVIX-UHFFFAOYSA-N 1 2 402.498 3.801 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c1C#N ZINC000532988704 1007360071 /nfs/dbraw/zinc/36/00/71/1007360071.db2.gz JIQBUQKLQHLVIX-UHFFFAOYSA-N 1 2 402.498 3.801 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000533347240 1007655768 /nfs/dbraw/zinc/65/57/68/1007655768.db2.gz CGFOUDRTZALHLI-QFBILLFUSA-N 1 2 411.468 3.574 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000533426001 1007734242 /nfs/dbraw/zinc/73/42/42/1007734242.db2.gz BFJKFRFCOFASHZ-IAGOWNOFSA-N 1 2 414.550 3.928 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000533426001 1007734245 /nfs/dbraw/zinc/73/42/45/1007734245.db2.gz BFJKFRFCOFASHZ-IAGOWNOFSA-N 1 2 414.550 3.928 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000533432357 1007745309 /nfs/dbraw/zinc/74/53/09/1007745309.db2.gz WGHAJFUTWVGRHP-RBUKOAKNSA-N 1 2 423.586 3.793 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000533432356 1007745637 /nfs/dbraw/zinc/74/56/37/1007745637.db2.gz WGHAJFUTWVGRHP-OALUTQOASA-N 1 2 423.586 3.793 20 30 HHEDLO C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000533504628 1007817488 /nfs/dbraw/zinc/81/74/88/1007817488.db2.gz PIQJNFXGBXQLKH-DEOSSOPVSA-N 1 2 415.497 3.557 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533506971 1007821827 /nfs/dbraw/zinc/82/18/27/1007821827.db2.gz WEOFCGZPFJXESO-HNNXBMFYSA-N 1 2 411.462 3.627 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533506971 1007821837 /nfs/dbraw/zinc/82/18/37/1007821837.db2.gz WEOFCGZPFJXESO-HNNXBMFYSA-N 1 2 411.462 3.627 20 30 HHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000539718080 1008034271 /nfs/dbraw/zinc/03/42/71/1008034271.db2.gz DJTOIDKGUQWGRN-UTKZUKDTSA-N 1 2 423.565 3.573 20 30 HHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000539718080 1008034330 /nfs/dbraw/zinc/03/43/30/1008034330.db2.gz DJTOIDKGUQWGRN-UTKZUKDTSA-N 1 2 423.565 3.573 20 30 HHEDLO C=CCn1cccc1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000518414983 1008295992 /nfs/dbraw/zinc/29/59/92/1008295992.db2.gz WJDLRXVAEVOSCE-UHFFFAOYSA-N 1 2 403.280 3.569 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518967652 1008490325 /nfs/dbraw/zinc/49/03/25/1008490325.db2.gz WCXVGWFUUXATTM-GOSISDBHSA-N 1 2 415.484 3.993 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518967652 1008490328 /nfs/dbraw/zinc/49/03/28/1008490328.db2.gz WCXVGWFUUXATTM-GOSISDBHSA-N 1 2 415.484 3.993 20 30 HHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000542963376 1008536309 /nfs/dbraw/zinc/53/63/09/1008536309.db2.gz XPJGMSPZLNCRCG-UHFFFAOYSA-N 1 2 409.881 3.806 20 30 HHEDLO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000548951526 1008536873 /nfs/dbraw/zinc/53/68/73/1008536873.db2.gz GGNJYAOAADUBCI-QFIPXVFZSA-N 1 2 402.546 3.723 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000543167554 1008744267 /nfs/dbraw/zinc/74/42/67/1008744267.db2.gz ULCBQFVAOCNEGY-UHFFFAOYSA-N 1 2 424.353 3.808 20 30 HHEDLO COc1cc(C#N)ccc1OCCCc1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000545682992 1008776078 /nfs/dbraw/zinc/77/60/78/1008776078.db2.gz CUICOPOFLZJPEZ-UHFFFAOYSA-N 1 2 403.442 3.508 20 30 HHEDLO CCOc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1OCC(F)(F)F ZINC000519622048 1008933667 /nfs/dbraw/zinc/93/36/67/1008933667.db2.gz OHOIAOXTBQJBGD-UHFFFAOYSA-N 1 2 420.435 3.615 20 30 HHEDLO COc1cccc([C@@H]2[C@@H](NCc3nnc(-c4ccc(C#N)cc4)o3)CC[N@@H+]2C2CC2)c1 ZINC000549478080 1009075720 /nfs/dbraw/zinc/07/57/20/1009075720.db2.gz PAHVRRXMPSRVIJ-JTHBVZDNSA-N 1 2 415.497 3.684 20 30 HHEDLO COc1cccc([C@@H]2[C@@H](NCc3nnc(-c4ccc(C#N)cc4)o3)CC[N@H+]2C2CC2)c1 ZINC000549478080 1009075732 /nfs/dbraw/zinc/07/57/32/1009075732.db2.gz PAHVRRXMPSRVIJ-JTHBVZDNSA-N 1 2 415.497 3.684 20 30 HHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000543547372 1009146347 /nfs/dbraw/zinc/14/63/47/1009146347.db2.gz PRNLBRTVKOSPIV-XXUFKVEXSA-N 1 2 413.497 3.846 20 30 HHEDLO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549656789 1009285514 /nfs/dbraw/zinc/28/55/14/1009285514.db2.gz QZVNOUWPXRDHRH-UHFFFAOYSA-N 1 2 408.937 3.892 20 30 HHEDLO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549668539 1009298887 /nfs/dbraw/zinc/29/88/87/1009298887.db2.gz ZITMFDXDMGMZOM-UHFFFAOYSA-N 1 2 413.529 3.720 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543880866 1009454778 /nfs/dbraw/zinc/45/47/78/1009454778.db2.gz XFLTXIHKKXMWCM-ICSRJNTNSA-N 1 2 402.420 3.610 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543880866 1009454783 /nfs/dbraw/zinc/45/47/83/1009454783.db2.gz XFLTXIHKKXMWCM-ICSRJNTNSA-N 1 2 402.420 3.610 20 30 HHEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)CC2)cc[nH+]1 ZINC000546833975 1009792050 /nfs/dbraw/zinc/79/20/50/1009792050.db2.gz MODCXQAXXUTMLF-UHFFFAOYSA-N 1 2 414.469 3.803 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000544248493 1009860515 /nfs/dbraw/zinc/86/05/15/1009860515.db2.gz IYZUKWNCCVKEIK-UHFFFAOYSA-N 1 2 421.457 3.503 20 30 HHEDLO Cn1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C2CCCCC2)n1 ZINC000544351912 1009978035 /nfs/dbraw/zinc/97/80/35/1009978035.db2.gz ZSMINLRMFDTVIU-UHFFFAOYSA-N 1 2 420.517 3.910 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1cccc(C#N)c1 ZINC000521095303 1010112774 /nfs/dbraw/zinc/11/27/74/1010112774.db2.gz KQPKCVARRMCZAQ-HSZRJFAPSA-N 1 2 419.525 3.927 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1cccc(C#N)c1 ZINC000521095303 1010112787 /nfs/dbraw/zinc/11/27/87/1010112787.db2.gz KQPKCVARRMCZAQ-HSZRJFAPSA-N 1 2 419.525 3.927 20 30 HHEDLO O=C1[C@@H]([NH+]2CCN(CC#Cc3cccc(Cl)c3)CC2)CCCN1Cc1ccccc1 ZINC000551396199 1010559318 /nfs/dbraw/zinc/55/93/18/1010559318.db2.gz YRTSUGREZAFBDC-DEOSSOPVSA-N 1 2 421.972 3.500 20 30 HHEDLO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C3)cc1 ZINC000521854792 1010664231 /nfs/dbraw/zinc/66/42/31/1010664231.db2.gz LSOJJYFBYHGODV-SFHVURJKSA-N 1 2 419.529 3.758 20 30 HHEDLO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C3)cc1 ZINC000521854792 1010664236 /nfs/dbraw/zinc/66/42/36/1010664236.db2.gz LSOJJYFBYHGODV-SFHVURJKSA-N 1 2 419.529 3.758 20 30 HHEDLO Cc1cc(Br)cn2c(CN3CCC(C#N)(c4ccccn4)CC3)c[nH+]c12 ZINC000548791714 1010731725 /nfs/dbraw/zinc/73/17/25/1010731725.db2.gz CXDYGNKFQJSHAS-UHFFFAOYSA-N 1 2 410.319 3.858 20 30 HHEDLO CC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000536676704 1011837576 /nfs/dbraw/zinc/83/75/76/1011837576.db2.gz MLMOMNOQAZZKPH-SFHVURJKSA-N 1 2 400.544 3.782 20 30 HHEDLO CC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000536676704 1011837588 /nfs/dbraw/zinc/83/75/88/1011837588.db2.gz MLMOMNOQAZZKPH-SFHVURJKSA-N 1 2 400.544 3.782 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536918164 1012196243 /nfs/dbraw/zinc/19/62/43/1012196243.db2.gz YYWZUBBJZXTVHJ-SJLPKXTDSA-N 1 2 407.276 3.964 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536918164 1012196253 /nfs/dbraw/zinc/19/62/53/1012196253.db2.gz YYWZUBBJZXTVHJ-SJLPKXTDSA-N 1 2 407.276 3.964 20 30 HHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000552313462 1012324903 /nfs/dbraw/zinc/32/49/03/1012324903.db2.gz GTELNBIGPZJNDI-NQIIRXRSSA-N 1 2 405.498 3.594 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000541683205 1012519633 /nfs/dbraw/zinc/51/96/33/1012519633.db2.gz JJYCYZYFXIOYFA-IRXDYDNUSA-N 1 2 420.542 3.808 20 30 HHEDLO Cc1cc(C#N)ccc1C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552807458 1012811371 /nfs/dbraw/zinc/81/13/71/1012811371.db2.gz GVWJSRXHZDLEAJ-UHFFFAOYSA-N 1 2 413.275 3.761 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542019361 1012910930 /nfs/dbraw/zinc/91/09/30/1012910930.db2.gz CIBJGSFTZNOZNS-AWEZNQCLSA-N 1 2 411.815 3.703 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542019361 1012910943 /nfs/dbraw/zinc/91/09/43/1012910943.db2.gz CIBJGSFTZNOZNS-AWEZNQCLSA-N 1 2 411.815 3.703 20 30 HHEDLO CC1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587983445 1072729454 /nfs/dbraw/zinc/72/94/54/1072729454.db2.gz PQUMJFVZYJLSGS-IBGZPJMESA-N 1 2 423.948 3.608 20 30 HHEDLO C=C(C)Cn1c(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)nnc1C(C)(C)C ZINC000555285532 1073308917 /nfs/dbraw/zinc/30/89/17/1073308917.db2.gz JLPZKPYJVCCXPR-UHFFFAOYSA-N 1 2 401.530 3.622 20 30 HHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000590068420 1073543311 /nfs/dbraw/zinc/54/33/11/1073543311.db2.gz NDKLLVVEVKRKLR-UHFFFAOYSA-N 1 2 418.522 3.721 20 30 HHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000591317410 1074245004 /nfs/dbraw/zinc/24/50/04/1074245004.db2.gz HLMQWSXRNFNDLR-UZUQRXQVSA-N 1 2 411.546 3.701 20 30 HHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000591317410 1074245012 /nfs/dbraw/zinc/24/50/12/1074245012.db2.gz HLMQWSXRNFNDLR-UZUQRXQVSA-N 1 2 411.546 3.701 20 30 HHEDLO C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000573356103 1074353616 /nfs/dbraw/zinc/35/36/16/1074353616.db2.gz NEYTVFFSXIRKLR-INIZCTEOSA-N 1 2 409.449 3.689 20 30 HHEDLO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000575111320 1075480118 /nfs/dbraw/zinc/48/01/18/1075480118.db2.gz HXJJIMKLDAGIRJ-OAHLLOKOSA-N 1 2 410.461 3.914 20 30 HHEDLO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000575111320 1075480121 /nfs/dbraw/zinc/48/01/21/1075480121.db2.gz HXJJIMKLDAGIRJ-OAHLLOKOSA-N 1 2 410.461 3.914 20 30 HHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C/c3c[nH+]c4cccc(C)n34)c2)cc1 ZINC000761201922 1075592366 /nfs/dbraw/zinc/59/23/66/1075592366.db2.gz XTQJLPOKLCGEGU-DHZHZOJOSA-N 1 2 405.479 3.886 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C)c(C#N)n1)CC2 ZINC001164663092 719349760 /nfs/dbraw/zinc/34/97/60/719349760.db2.gz CKYRTCQTQPTFQX-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C)c(C#N)n1)CC2 ZINC001164663092 719349762 /nfs/dbraw/zinc/34/97/62/719349762.db2.gz CKYRTCQTQPTFQX-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC001164919935 721821745 /nfs/dbraw/zinc/82/17/45/721821745.db2.gz YVHVRNYYPUKGNB-UHFFFAOYSA-N 1 2 404.562 3.513 20 30 HHEDLO N#Cc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC000301373659 970894326 /nfs/dbraw/zinc/89/43/26/970894326.db2.gz WOMKMVLLNMTSMV-NRFANRHFSA-N 1 2 403.442 3.500 20 30 HHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301648707 971014145 /nfs/dbraw/zinc/01/41/45/971014145.db2.gz OVLMZPFSCUCFJS-YADHBBJMSA-N 1 2 402.473 3.644 20 30 HHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301648707 971014156 /nfs/dbraw/zinc/01/41/56/971014156.db2.gz OVLMZPFSCUCFJS-YADHBBJMSA-N 1 2 402.473 3.644 20 30 HHEDLO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000303302776 971613120 /nfs/dbraw/zinc/61/31/20/971613120.db2.gz DBFMQRWLVXRPKF-QZTJIDSGSA-N 1 2 416.591 3.648 20 30 HHEDLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000303302776 971613125 /nfs/dbraw/zinc/61/31/25/971613125.db2.gz DBFMQRWLVXRPKF-QZTJIDSGSA-N 1 2 416.591 3.648 20 30 HHEDLO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000303394736 971679687 /nfs/dbraw/zinc/67/96/87/971679687.db2.gz PJOZPRJFOCFGDX-QZTJIDSGSA-N 1 2 416.591 3.505 20 30 HHEDLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000303394736 971679690 /nfs/dbraw/zinc/67/96/90/971679690.db2.gz PJOZPRJFOCFGDX-QZTJIDSGSA-N 1 2 416.591 3.505 20 30 HHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393140 962275368 /nfs/dbraw/zinc/27/53/68/962275368.db2.gz UMRFQOIDCVEKGY-MRXNPFEDSA-N 1 2 417.431 3.689 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3-c3ccccc3)CC2)cc1 ZINC000015742059 962854481 /nfs/dbraw/zinc/85/44/81/962854481.db2.gz KCPQUBYQMFIGNC-UHFFFAOYSA-N 1 2 411.505 3.948 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1Cl ZINC000537843457 1013405145 /nfs/dbraw/zinc/40/51/45/1013405145.db2.gz QUVATAAWPXZIRS-UHFFFAOYSA-N 1 2 409.873 3.711 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1Cl ZINC000537843457 1013405151 /nfs/dbraw/zinc/40/51/51/1013405151.db2.gz QUVATAAWPXZIRS-UHFFFAOYSA-N 1 2 409.873 3.711 20 30 HHEDLO Cc1cccc(-c2nc(CC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)c1 ZINC000017843609 963234551 /nfs/dbraw/zinc/23/45/51/963234551.db2.gz BRYJQVSHYAQUKG-UHFFFAOYSA-N 1 2 416.550 3.877 20 30 HHEDLO C[C@@H](c1nnc(SCC(=O)Nc2cccc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000022718383 963703298 /nfs/dbraw/zinc/70/32/98/963703298.db2.gz IOSMGJVWUHWBOF-AWEZNQCLSA-N 1 2 424.505 3.631 20 30 HHEDLO N#Cc1ccc(OCC[NH+]2CCN(Cc3ccc(Br)s3)CC2)cc1 ZINC000023332594 963800091 /nfs/dbraw/zinc/80/00/91/963800091.db2.gz BKEKFORLYQVWFL-UHFFFAOYSA-N 1 2 406.349 3.579 20 30 HHEDLO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000025511362 964289870 /nfs/dbraw/zinc/28/98/70/964289870.db2.gz FZWKACLNSPEIIP-OAQYLSRUSA-N 1 2 420.557 3.851 20 30 HHEDLO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)C1 ZINC000050997272 964438886 /nfs/dbraw/zinc/43/88/86/964438886.db2.gz OCOYSZKAJQIRTM-GOSISDBHSA-N 1 2 414.575 3.869 20 30 HHEDLO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)C1 ZINC000050997272 964438891 /nfs/dbraw/zinc/43/88/91/964438891.db2.gz OCOYSZKAJQIRTM-GOSISDBHSA-N 1 2 414.575 3.869 20 30 HHEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000026331379 964526982 /nfs/dbraw/zinc/52/69/82/964526982.db2.gz QJUUVDULILYDGY-DEOSSOPVSA-N 1 2 413.477 3.776 20 30 HHEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000026331379 964526991 /nfs/dbraw/zinc/52/69/91/964526991.db2.gz QJUUVDULILYDGY-DEOSSOPVSA-N 1 2 413.477 3.776 20 30 HHEDLO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000026467449 964575432 /nfs/dbraw/zinc/57/54/32/964575432.db2.gz HIFMPDCGAKDTSN-GOSISDBHSA-N 1 2 410.949 3.973 20 30 HHEDLO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000542589681 1013529794 /nfs/dbraw/zinc/52/97/94/1013529794.db2.gz DZYGDVNYPWAWEL-CQSZACIVSA-N 1 2 408.531 3.787 20 30 HHEDLO COc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746221 965174692 /nfs/dbraw/zinc/17/46/92/965174692.db2.gz APSOTKPUVDLOHH-GOSISDBHSA-N 1 2 414.303 3.567 20 30 HHEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028746221 965174702 /nfs/dbraw/zinc/17/47/02/965174702.db2.gz APSOTKPUVDLOHH-GOSISDBHSA-N 1 2 414.303 3.567 20 30 HHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000054809095 965654717 /nfs/dbraw/zinc/65/47/17/965654717.db2.gz KEXKMRPBCAKTGK-UHFFFAOYSA-N 1 2 406.505 3.646 20 30 HHEDLO COc1ccc([C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)C)cc1 ZINC000054973998 965715413 /nfs/dbraw/zinc/71/54/13/965715413.db2.gz WRDNQRBAYDDDIQ-QHCPKHFHSA-N 1 2 406.530 3.791 20 30 HHEDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2nccn2C)c1 ZINC000030649053 965754800 /nfs/dbraw/zinc/75/48/00/965754800.db2.gz RMWJTCJWGDZRQC-HSZRJFAPSA-N 1 2 419.529 3.666 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000058578809 965791660 /nfs/dbraw/zinc/79/16/60/965791660.db2.gz XYDLOPJTIMAULF-UHFFFAOYSA-N 1 2 424.589 3.665 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000058578809 965791671 /nfs/dbraw/zinc/79/16/71/965791671.db2.gz XYDLOPJTIMAULF-UHFFFAOYSA-N 1 2 424.589 3.665 20 30 HHEDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1OCC ZINC000058580238 965793269 /nfs/dbraw/zinc/79/32/69/965793269.db2.gz KCGVSRFKBAGJDA-UHFFFAOYSA-N 1 2 422.529 3.506 20 30 HHEDLO CCOc1ccc(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1OCC ZINC000058580238 965793275 /nfs/dbraw/zinc/79/32/75/965793275.db2.gz KCGVSRFKBAGJDA-UHFFFAOYSA-N 1 2 422.529 3.506 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000056551181 966368537 /nfs/dbraw/zinc/36/85/37/966368537.db2.gz QHQYSAOROZOVKJ-UHFFFAOYSA-N 1 2 408.502 3.891 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000042101149 966718240 /nfs/dbraw/zinc/71/82/40/966718240.db2.gz YOYBQRUQWOAULL-GOSISDBHSA-N 1 2 411.575 3.544 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000062905533 966736366 /nfs/dbraw/zinc/73/63/66/966736366.db2.gz PVPUVBBEEMGICG-UHFFFAOYSA-N 1 2 413.481 3.612 20 30 HHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000063401684 966844647 /nfs/dbraw/zinc/84/46/47/966844647.db2.gz REVGVVMCSQRNTJ-UHFFFAOYSA-N 1 2 405.458 3.737 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccc(C#N)cc1 ZINC000063753948 966947457 /nfs/dbraw/zinc/94/74/57/966947457.db2.gz CPSIVPFXNMMGOZ-UHFFFAOYSA-N 1 2 424.501 3.908 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccc(C#N)cc1 ZINC000063753948 966947465 /nfs/dbraw/zinc/94/74/65/966947465.db2.gz CPSIVPFXNMMGOZ-UHFFFAOYSA-N 1 2 424.501 3.908 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000043835330 967047737 /nfs/dbraw/zinc/04/77/37/967047737.db2.gz VKMIOLWACRETFJ-UHFFFAOYSA-N 1 2 405.527 3.536 20 30 HHEDLO COc1cccc(C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]2CCCO2)c1 ZINC000064400500 967172627 /nfs/dbraw/zinc/17/26/27/967172627.db2.gz XOVPHDXIWWKCJK-QHCPKHFHSA-N 1 2 407.514 3.623 20 30 HHEDLO COc1cccc(C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]2CCCO2)c1 ZINC000064400500 967172630 /nfs/dbraw/zinc/17/26/30/967172630.db2.gz XOVPHDXIWWKCJK-QHCPKHFHSA-N 1 2 407.514 3.623 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)c1C#N ZINC000044438347 967216121 /nfs/dbraw/zinc/21/61/21/967216121.db2.gz FJDOBMIRGQMYAD-UHFFFAOYSA-N 1 2 412.440 3.967 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)c1C#N ZINC000044438347 967216128 /nfs/dbraw/zinc/21/61/28/967216128.db2.gz FJDOBMIRGQMYAD-UHFFFAOYSA-N 1 2 412.440 3.967 20 30 HHEDLO C=CCc1cc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc(OC)c1OC ZINC000065286861 967428469 /nfs/dbraw/zinc/42/84/69/967428469.db2.gz OLULTOSQDQQTEU-UHFFFAOYSA-N 1 2 424.545 3.817 20 30 HHEDLO C=CCc1cc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc(OC)c1OC ZINC000065290147 967429694 /nfs/dbraw/zinc/42/96/94/967429694.db2.gz ZZUSZLGMLRWDJT-UHFFFAOYSA-N 1 2 420.513 3.677 20 30 HHEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000046046861 967647130 /nfs/dbraw/zinc/64/71/30/967647130.db2.gz NHYJOUDXFSMZIE-UHFFFAOYSA-N 1 2 402.420 3.604 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)cc1 ZINC000047713973 968283722 /nfs/dbraw/zinc/28/37/22/968283722.db2.gz ZJAMACBVOJPVJC-UHFFFAOYSA-N 1 2 404.392 3.648 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCCNc3cccc[nH+]3)c2)c1 ZINC000048126258 968443144 /nfs/dbraw/zinc/44/31/44/968443144.db2.gz VYSVODARRDLLSB-UHFFFAOYSA-N 1 2 414.469 3.829 20 30 HHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000096971216 969068260 /nfs/dbraw/zinc/06/82/60/969068260.db2.gz HOAVPZVIFZBUSH-HXUWFJFHSA-N 1 2 406.530 3.981 20 30 HHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000096971216 969068271 /nfs/dbraw/zinc/06/82/71/969068271.db2.gz HOAVPZVIFZBUSH-HXUWFJFHSA-N 1 2 406.530 3.981 20 30 HHEDLO C[C@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000105491915 969241253 /nfs/dbraw/zinc/24/12/53/969241253.db2.gz XGFQLACAJSDHGD-SFHVURJKSA-N 1 2 410.949 3.597 20 30 HHEDLO C[C@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000105491915 969241258 /nfs/dbraw/zinc/24/12/58/969241258.db2.gz XGFQLACAJSDHGD-SFHVURJKSA-N 1 2 410.949 3.597 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000213883623 970041957 /nfs/dbraw/zinc/04/19/57/970041957.db2.gz KSDRCBFGONCAIW-OJTSNAHWSA-N 1 2 402.542 3.653 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c(OC)c1 ZINC000247909012 970489180 /nfs/dbraw/zinc/48/91/80/970489180.db2.gz JJZXKKYQBKCKSK-XFFZJAGNSA-N 1 2 406.526 3.660 20 30 HHEDLO C=CCc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(OC)c1OC ZINC000247896529 970489325 /nfs/dbraw/zinc/48/93/25/970489325.db2.gz CVYMVTLHXZDGGO-XYOKQWHBSA-N 1 2 406.526 3.904 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)CC2)cc1 ZINC000426587670 974547592 /nfs/dbraw/zinc/54/75/92/974547592.db2.gz SHVKVWJBVFITAY-UHFFFAOYSA-N 1 2 411.918 3.621 20 30 HHEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428795998 976072987 /nfs/dbraw/zinc/07/29/87/976072987.db2.gz ZQFVJPFEAUJIKR-KBXCAEBGSA-N 1 2 409.877 3.795 20 30 HHEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428795998 976073002 /nfs/dbraw/zinc/07/30/02/976073002.db2.gz ZQFVJPFEAUJIKR-KBXCAEBGSA-N 1 2 409.877 3.795 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C2)nc1 ZINC000428820986 976101638 /nfs/dbraw/zinc/10/16/38/976101638.db2.gz UHIVJXQIIGGAAN-WZQKQDCOSA-N 1 2 410.326 3.521 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C2)nc1 ZINC000428820986 976101646 /nfs/dbraw/zinc/10/16/46/976101646.db2.gz UHIVJXQIIGGAAN-WZQKQDCOSA-N 1 2 410.326 3.521 20 30 HHEDLO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C(F)(F)F)O1 ZINC000428934571 976234792 /nfs/dbraw/zinc/23/47/92/976234792.db2.gz NLEKYJIQEUIGKJ-OAHLLOKOSA-N 1 2 415.481 3.869 20 30 HHEDLO CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](C(F)(F)F)O1 ZINC000428934571 976234801 /nfs/dbraw/zinc/23/48/01/976234801.db2.gz NLEKYJIQEUIGKJ-OAHLLOKOSA-N 1 2 415.481 3.869 20 30 HHEDLO CCCc1c(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cnn1-c1cccc(C#N)c1 ZINC000429631504 976920358 /nfs/dbraw/zinc/92/03/58/976920358.db2.gz OQSZTVMIWMVPQH-UHFFFAOYSA-N 1 2 417.517 3.893 20 30 HHEDLO Cc1ccccc1Cc1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000430029857 977282523 /nfs/dbraw/zinc/28/25/23/977282523.db2.gz UHTSSUSEKKUSSO-UHFFFAOYSA-N 1 2 415.497 3.691 20 30 HHEDLO N#Cc1cccc(-c2cc(-c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)on2)c1 ZINC000432671356 978931323 /nfs/dbraw/zinc/93/13/23/978931323.db2.gz PGCUXLZCFHBHHL-UHFFFAOYSA-N 1 2 413.437 3.762 20 30 HHEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)oc1C ZINC000432935999 979015998 /nfs/dbraw/zinc/01/59/98/979015998.db2.gz BTWUZVLWJBXCOD-HNNXBMFYSA-N 1 2 404.470 3.678 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000435255636 980744542 /nfs/dbraw/zinc/74/45/42/980744542.db2.gz JAFGNSOLCKLMLB-UHFFFAOYSA-N 1 2 422.529 3.519 20 30 HHEDLO C=CCC[C@@H](NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000435745203 981013008 /nfs/dbraw/zinc/01/30/08/981013008.db2.gz KOWRNGOTDWTZEF-WMZHIEFXSA-N 1 2 421.541 3.842 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000437343919 981994418 /nfs/dbraw/zinc/99/44/18/981994418.db2.gz RCUSUYDANRJZQV-UHFFFAOYSA-N 1 2 418.950 3.534 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437773981 982348099 /nfs/dbraw/zinc/34/80/99/982348099.db2.gz MXVDWEHAMIQOEE-XCLNPWKQSA-N 1 2 409.933 3.895 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437773981 982348104 /nfs/dbraw/zinc/34/81/04/982348104.db2.gz MXVDWEHAMIQOEE-XCLNPWKQSA-N 1 2 409.933 3.895 20 30 HHEDLO C=C(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000460791145 982544527 /nfs/dbraw/zinc/54/45/27/982544527.db2.gz FAHUAATVUKHVDR-PKTZIBPZSA-N 1 2 421.589 3.677 20 30 HHEDLO C=C(C)Cn1c(CC2CCCC2)nnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000460791145 982544530 /nfs/dbraw/zinc/54/45/30/982544530.db2.gz FAHUAATVUKHVDR-PKTZIBPZSA-N 1 2 421.589 3.677 20 30 HHEDLO CCC(CC)[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCOCC1 ZINC000460991004 982712005 /nfs/dbraw/zinc/71/20/05/982712005.db2.gz JESLODVPNSVTGG-BBHUYCHWSA-N 1 2 413.562 3.501 20 30 HHEDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438312963 982716768 /nfs/dbraw/zinc/71/67/68/982716768.db2.gz LJQAHAHZNJTCGP-SOAGJPPSSA-N 1 2 413.905 3.671 20 30 HHEDLO N#Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C(F)(F)F ZINC000438635998 982955001 /nfs/dbraw/zinc/95/50/01/982955001.db2.gz NESJZZOJVFABJG-UHFFFAOYSA-N 1 2 418.419 3.731 20 30 HHEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)[C@@H]2C ZINC000439300180 983352535 /nfs/dbraw/zinc/35/25/35/983352535.db2.gz UDKFCDWQGLYZDV-CQSZACIVSA-N 1 2 412.563 3.619 20 30 HHEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)[C@@H]2C ZINC000439300180 983352540 /nfs/dbraw/zinc/35/25/40/983352540.db2.gz UDKFCDWQGLYZDV-CQSZACIVSA-N 1 2 412.563 3.619 20 30 HHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000439812206 983547650 /nfs/dbraw/zinc/54/76/50/983547650.db2.gz SOKBSPHSAPLJQT-FOIQADDNSA-N 1 2 411.937 3.683 20 30 HHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000439812206 983547652 /nfs/dbraw/zinc/54/76/52/983547652.db2.gz SOKBSPHSAPLJQT-FOIQADDNSA-N 1 2 411.937 3.683 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440237811 983692186 /nfs/dbraw/zinc/69/21/86/983692186.db2.gz GWQHDILBKIANHB-URXFXBBRSA-N 1 2 420.557 3.964 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000440930405 983984740 /nfs/dbraw/zinc/98/47/40/983984740.db2.gz RBBJOADTNHAYEL-RBUKOAKNSA-N 1 2 406.530 3.934 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000440930405 983984743 /nfs/dbraw/zinc/98/47/43/983984743.db2.gz RBBJOADTNHAYEL-RBUKOAKNSA-N 1 2 406.530 3.934 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000440930144 983984939 /nfs/dbraw/zinc/98/49/39/983984939.db2.gz AUXZVLVWHKNWLA-KRWDZBQOSA-N 1 2 408.502 3.704 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC)[C@@H](C)C1 ZINC000440930144 983984947 /nfs/dbraw/zinc/98/49/47/983984947.db2.gz AUXZVLVWHKNWLA-KRWDZBQOSA-N 1 2 408.502 3.704 20 30 HHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000441364928 984210311 /nfs/dbraw/zinc/21/03/11/984210311.db2.gz NWOIOIKCGBQGKP-GOSISDBHSA-N 1 2 402.970 3.703 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c(C)c1 ZINC000441766185 984439548 /nfs/dbraw/zinc/43/95/48/984439548.db2.gz OCSDIDFZVIBZJD-FQEVSTJZSA-N 1 2 421.888 3.521 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441801125 984463286 /nfs/dbraw/zinc/46/32/86/984463286.db2.gz LVEBIGREFYMJAT-FQEVSTJZSA-N 1 2 421.888 3.521 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000441878018 984514563 /nfs/dbraw/zinc/51/45/63/984514563.db2.gz ZIUPDIGHBIBBBO-HXUWFJFHSA-N 1 2 414.918 3.745 20 30 HHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442047053 984609988 /nfs/dbraw/zinc/60/99/88/984609988.db2.gz HVIOCPDMDJHDPB-AWEZNQCLSA-N 1 2 419.407 3.763 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000442207919 984727607 /nfs/dbraw/zinc/72/76/07/984727607.db2.gz KOVCDGRYCUWVMN-QFIPXVFZSA-N 1 2 417.513 3.979 20 30 HHEDLO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000461795206 984783010 /nfs/dbraw/zinc/78/30/10/984783010.db2.gz JLDBJIMNSZZRAE-UHFFFAOYSA-N 1 2 408.449 3.690 20 30 HHEDLO Cc1nc(C(F)(F)F)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000461795206 984783015 /nfs/dbraw/zinc/78/30/15/984783015.db2.gz JLDBJIMNSZZRAE-UHFFFAOYSA-N 1 2 408.449 3.690 20 30 HHEDLO CC(C)(C)c1ccccc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462449955 985414491 /nfs/dbraw/zinc/41/44/91/985414491.db2.gz HREFAMPVOFSUMO-UHFFFAOYSA-N 1 2 411.571 3.752 20 30 HHEDLO CC(C)(C)c1ccccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462449955 985414494 /nfs/dbraw/zinc/41/44/94/985414494.db2.gz HREFAMPVOFSUMO-UHFFFAOYSA-N 1 2 411.571 3.752 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1OCC ZINC000462869196 985794261 /nfs/dbraw/zinc/79/42/61/985794261.db2.gz FBGUNXQWVOIWMY-CQSZACIVSA-N 1 2 420.294 3.862 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1OCC ZINC000462869196 985794271 /nfs/dbraw/zinc/79/42/71/985794271.db2.gz FBGUNXQWVOIWMY-CQSZACIVSA-N 1 2 420.294 3.862 20 30 HHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000444172107 986348412 /nfs/dbraw/zinc/34/84/12/986348412.db2.gz ZQFBXEQQIUPGQI-HTAPYJJXSA-N 1 2 408.933 3.696 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000463501405 986477167 /nfs/dbraw/zinc/47/71/67/986477167.db2.gz BCUBFFHQBJLIRV-UHFFFAOYSA-N 1 2 401.432 3.854 20 30 HHEDLO C=CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444381382 986556553 /nfs/dbraw/zinc/55/65/53/986556553.db2.gz JXEOVZOUNDIZAP-JOCHJYFZSA-N 1 2 403.482 3.675 20 30 HHEDLO N#Cc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ccc1C(F)(F)F ZINC000463649789 986627880 /nfs/dbraw/zinc/62/78/80/986627880.db2.gz MRMUVSOPRSJKEQ-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000470006230 987618248 /nfs/dbraw/zinc/61/82/48/987618248.db2.gz OAUDLMMBJZSGBT-UHFFFAOYSA-N 1 2 418.324 3.783 20 30 HHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000470287712 988245813 /nfs/dbraw/zinc/24/58/13/988245813.db2.gz QMRYASCORGQSDN-NRFANRHFSA-N 1 2 400.482 3.891 20 30 HHEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464462188 988638227 /nfs/dbraw/zinc/63/82/27/988638227.db2.gz CWOLNXGWIKQLEJ-ZDUSSCGKSA-N 1 2 401.304 3.684 20 30 HHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000471019076 989090351 /nfs/dbraw/zinc/09/03/51/989090351.db2.gz QPWWJWAHJDKWTQ-OAHLLOKOSA-N 1 2 411.802 3.736 20 30 HHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000471215174 989357847 /nfs/dbraw/zinc/35/78/47/989357847.db2.gz IAVAVYWSIBMRIE-UHFFFAOYSA-N 1 2 401.457 3.805 20 30 HHEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000471751658 989946095 /nfs/dbraw/zinc/94/60/95/989946095.db2.gz TWLANIHCOVIDHD-GHTZIAJQSA-N 1 2 424.907 3.986 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)C2)n1 ZINC000471779523 989968541 /nfs/dbraw/zinc/96/85/41/989968541.db2.gz IQQNINLPJOTDHU-GOSISDBHSA-N 1 2 424.574 3.559 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000465623150 990008579 /nfs/dbraw/zinc/00/85/79/990008579.db2.gz BZSQFARJIXCURS-DNQXCXABSA-N 1 2 418.541 3.500 20 30 HHEDLO C=CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000466957478 992267354 /nfs/dbraw/zinc/26/73/54/992267354.db2.gz HVQRBUMBRSWBMF-INIZCTEOSA-N 1 2 420.908 3.646 20 30 HHEDLO C=CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000466957478 992267366 /nfs/dbraw/zinc/26/73/66/992267366.db2.gz HVQRBUMBRSWBMF-INIZCTEOSA-N 1 2 420.908 3.646 20 30 HHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)n2)CC1 ZINC000467123453 992438926 /nfs/dbraw/zinc/43/89/26/992438926.db2.gz YSAJUKNSRVQIFC-UHFFFAOYSA-N 1 2 406.515 3.685 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472520275 993512186 /nfs/dbraw/zinc/51/21/86/993512186.db2.gz OPJGRKLVAJRGTI-GMAHTHKFSA-N 1 2 406.505 3.861 20 30 HHEDLO Cn1cc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000472581318 993546284 /nfs/dbraw/zinc/54/62/84/993546284.db2.gz NDVGWEOVCRIZAO-UHFFFAOYSA-N 1 2 407.275 3.632 20 30 HHEDLO Cn1cc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000472581318 993546287 /nfs/dbraw/zinc/54/62/87/993546287.db2.gz NDVGWEOVCRIZAO-UHFFFAOYSA-N 1 2 407.275 3.632 20 30 HHEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000472846387 993779823 /nfs/dbraw/zinc/77/98/23/993779823.db2.gz HCWIORNVPGVPQY-HXUWFJFHSA-N 1 2 421.541 3.623 20 30 HHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000474273414 995269606 /nfs/dbraw/zinc/26/96/06/995269606.db2.gz KQTUSTYWQUGMPM-UHFFFAOYSA-N 1 2 412.472 3.753 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000474696682 995638018 /nfs/dbraw/zinc/63/80/18/995638018.db2.gz HZLSYBZGGCNZHL-INIZCTEOSA-N 1 2 419.229 3.767 20 30 HHEDLO C=CCCC1(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)CC1 ZINC000474905979 995792645 /nfs/dbraw/zinc/79/26/45/995792645.db2.gz MVGIEHQDQIKYNW-UHFFFAOYSA-N 1 2 408.521 3.910 20 30 HHEDLO Cc1cccc(CC2(O)CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000482946013 995872966 /nfs/dbraw/zinc/87/29/66/995872966.db2.gz JXOOGGXDQYEVEL-QGZVFWFLSA-N 1 2 423.582 3.814 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000483037429 995934093 /nfs/dbraw/zinc/93/40/93/995934093.db2.gz CXCFPJQMYYDJQE-AWEZNQCLSA-N 1 2 421.423 3.719 20 30 HHEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000475404094 996117980 /nfs/dbraw/zinc/11/79/80/996117980.db2.gz YCAMVSZRVKHNTB-DNVCBOLYSA-N 1 2 414.550 3.551 20 30 HHEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000475404094 996117984 /nfs/dbraw/zinc/11/79/84/996117984.db2.gz YCAMVSZRVKHNTB-DNVCBOLYSA-N 1 2 414.550 3.551 20 30 HHEDLO C=C(C)COc1cc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)ccc1OC ZINC000475430201 996132961 /nfs/dbraw/zinc/13/29/61/996132961.db2.gz VLKKNCXHDAVLIW-LJQANCHMSA-N 1 2 419.319 3.729 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](c4ccccc4F)C3)CC2)cc1 ZINC000483402210 996153966 /nfs/dbraw/zinc/15/39/66/996153966.db2.gz ZBBUXCJIFKCHAH-RTWAWAEBSA-N 1 2 406.505 3.861 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000475737680 996336914 /nfs/dbraw/zinc/33/69/14/996336914.db2.gz MOBUBEVAASKDHT-SONOPUAISA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000475737680 996336919 /nfs/dbraw/zinc/33/69/19/996336919.db2.gz MOBUBEVAASKDHT-SONOPUAISA-N 1 2 411.571 3.981 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)C2 ZINC000476666769 997205788 /nfs/dbraw/zinc/20/57/88/997205788.db2.gz VYIQFPOEYVTRIK-CQSZACIVSA-N 1 2 408.893 3.987 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)CC2 ZINC000476666769 997205797 /nfs/dbraw/zinc/20/57/97/997205797.db2.gz VYIQFPOEYVTRIK-CQSZACIVSA-N 1 2 408.893 3.987 20 30 HHEDLO C=CCSc1ccccc1C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000485480660 997931934 /nfs/dbraw/zinc/93/19/34/997931934.db2.gz RAYYMFQLFMZUBU-UHFFFAOYSA-N 1 2 412.555 3.770 20 30 HHEDLO C=CCSc1ccccc1C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000485480660 997931944 /nfs/dbraw/zinc/93/19/44/997931944.db2.gz RAYYMFQLFMZUBU-UHFFFAOYSA-N 1 2 412.555 3.770 20 30 HHEDLO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000485789425 998260405 /nfs/dbraw/zinc/26/04/05/998260405.db2.gz RAFKNRLGCLZUKP-AUSIDOKSSA-N 1 2 416.468 3.642 20 30 HHEDLO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000485789425 998260418 /nfs/dbraw/zinc/26/04/18/998260418.db2.gz RAFKNRLGCLZUKP-AUSIDOKSSA-N 1 2 416.468 3.642 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(C(F)F)CC2)c1C#N ZINC000486136847 998584941 /nfs/dbraw/zinc/58/49/41/998584941.db2.gz MHAUNSXQXVFJCG-UHFFFAOYSA-N 1 2 400.473 3.941 20 30 HHEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000486309635 998706317 /nfs/dbraw/zinc/70/63/17/998706317.db2.gz RYAFTJUHSVQZLN-HNNXBMFYSA-N 1 2 412.559 3.801 20 30 HHEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000486309635 998706325 /nfs/dbraw/zinc/70/63/25/998706325.db2.gz RYAFTJUHSVQZLN-HNNXBMFYSA-N 1 2 412.559 3.801 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)cc1 ZINC000478013540 998713554 /nfs/dbraw/zinc/71/35/54/998713554.db2.gz DROUYOSXAWTTQW-XMMPIXPASA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)cc1 ZINC000478013540 998713557 /nfs/dbraw/zinc/71/35/57/998713557.db2.gz DROUYOSXAWTTQW-XMMPIXPASA-N 1 2 402.519 3.980 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1C ZINC000478327819 998890646 /nfs/dbraw/zinc/89/06/46/998890646.db2.gz OJULEKNSCHHEEC-DEOSSOPVSA-N 1 2 419.504 3.802 20 30 HHEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Br ZINC000487982911 999336277 /nfs/dbraw/zinc/33/62/77/999336277.db2.gz IPFSWTDAFAHOAB-UHFFFAOYSA-N 1 2 405.321 3.732 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487991978 999340229 /nfs/dbraw/zinc/34/02/29/999340229.db2.gz JWQNIIASBARFRX-CQSZACIVSA-N 1 2 414.307 3.626 20 30 HHEDLO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000488034662 999354671 /nfs/dbraw/zinc/35/46/71/999354671.db2.gz XFJRSSKBUQAJDD-QGZVFWFLSA-N 1 2 400.454 3.932 20 30 HHEDLO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000488034661 999354731 /nfs/dbraw/zinc/35/47/31/999354731.db2.gz XFJRSSKBUQAJDD-KRWDZBQOSA-N 1 2 400.454 3.932 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)no1 ZINC000480219517 999748527 /nfs/dbraw/zinc/74/85/27/999748527.db2.gz DXJWVBNLNSYUDQ-MRXNPFEDSA-N 1 2 412.444 3.567 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)no1 ZINC000480219517 999748529 /nfs/dbraw/zinc/74/85/29/999748529.db2.gz DXJWVBNLNSYUDQ-MRXNPFEDSA-N 1 2 412.444 3.567 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)no1 ZINC000480232521 999752057 /nfs/dbraw/zinc/75/20/57/999752057.db2.gz UEFXUEUYJAVGDW-LJQANCHMSA-N 1 2 404.518 3.906 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)no1 ZINC000480232521 999752059 /nfs/dbraw/zinc/75/20/59/999752059.db2.gz UEFXUEUYJAVGDW-LJQANCHMSA-N 1 2 404.518 3.906 20 30 HHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000480569906 999829049 /nfs/dbraw/zinc/82/90/49/999829049.db2.gz QRWVLHSVAOSHTH-UHFFFAOYSA-N 1 2 406.534 3.997 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236722 999917866 /nfs/dbraw/zinc/91/78/66/999917866.db2.gz CKWFDQFHWDYLAM-YLJYHZDGSA-N 1 2 400.429 3.802 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236722 999917867 /nfs/dbraw/zinc/91/78/67/999917867.db2.gz CKWFDQFHWDYLAM-YLJYHZDGSA-N 1 2 400.429 3.802 20 30 HHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)cc1Cl ZINC000492378187 1000124436 /nfs/dbraw/zinc/12/44/36/1000124436.db2.gz STYRLUVZIXQVAX-UHFFFAOYSA-N 1 2 401.919 3.776 20 30 HHEDLO N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000504763793 1000359895 /nfs/dbraw/zinc/35/98/95/1000359895.db2.gz YAKGOBWZLLTYOR-QGZVFWFLSA-N 1 2 408.506 3.708 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494233275 1000377180 /nfs/dbraw/zinc/37/71/80/1000377180.db2.gz HJWSNWDRESJIDI-MRXNPFEDSA-N 1 2 401.507 3.510 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494233275 1000377186 /nfs/dbraw/zinc/37/71/86/1000377186.db2.gz HJWSNWDRESJIDI-MRXNPFEDSA-N 1 2 401.507 3.510 20 30 HHEDLO N#Cc1cccc(NCC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000494564652 1000556797 /nfs/dbraw/zinc/55/67/97/1000556797.db2.gz LUIMUGNIIPZFKL-LJQANCHMSA-N 1 2 400.885 3.716 20 30 HHEDLO Cc1csc(C2([NH2+]CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CCC2)n1 ZINC000494788397 1000656809 /nfs/dbraw/zinc/65/68/09/1000656809.db2.gz RAVBMKQUNVVFOA-UHFFFAOYSA-N 1 2 407.461 3.607 20 30 HHEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494829585 1000681974 /nfs/dbraw/zinc/68/19/74/1000681974.db2.gz OUBAFFSGJLEGRJ-DLBZAZTESA-N 1 2 410.518 3.642 20 30 HHEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494829585 1000681976 /nfs/dbraw/zinc/68/19/76/1000681976.db2.gz OUBAFFSGJLEGRJ-DLBZAZTESA-N 1 2 410.518 3.642 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1C ZINC000505790243 1001025028 /nfs/dbraw/zinc/02/50/28/1001025028.db2.gz LMXLUYXVEYHDSD-UHFFFAOYSA-N 1 2 412.509 3.899 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OCCCC#N ZINC000506146026 1001247793 /nfs/dbraw/zinc/24/77/93/1001247793.db2.gz AERXCXBSPGCNEB-UHFFFAOYSA-N 1 2 423.561 3.922 20 30 HHEDLO C=CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1OC ZINC000506615925 1001472104 /nfs/dbraw/zinc/47/21/04/1001472104.db2.gz CDJLTVMFJBVCRH-QFIPXVFZSA-N 1 2 406.526 3.809 20 30 HHEDLO C=CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1OC ZINC000506615925 1001472106 /nfs/dbraw/zinc/47/21/06/1001472106.db2.gz CDJLTVMFJBVCRH-QFIPXVFZSA-N 1 2 406.526 3.809 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507081854 1001796399 /nfs/dbraw/zinc/79/63/99/1001796399.db2.gz BQJRNAONFZUEFJ-YRISNDGFSA-N 1 2 423.916 3.602 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507081854 1001796405 /nfs/dbraw/zinc/79/64/05/1001796405.db2.gz BQJRNAONFZUEFJ-YRISNDGFSA-N 1 2 423.916 3.602 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507227813 1001913645 /nfs/dbraw/zinc/91/36/45/1001913645.db2.gz DPTUHRXLFCIPES-FDDCHVKYSA-N 1 2 407.514 3.576 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507227813 1001913656 /nfs/dbraw/zinc/91/36/56/1001913656.db2.gz DPTUHRXLFCIPES-FDDCHVKYSA-N 1 2 407.514 3.576 20 30 HHEDLO Cc1ccc(SCCNC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507775243 1002338348 /nfs/dbraw/zinc/33/83/48/1002338348.db2.gz ZTDXSDHJJBIQBP-UHFFFAOYSA-N 1 2 409.555 3.618 20 30 HHEDLO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508502579 1002984270 /nfs/dbraw/zinc/98/42/70/1002984270.db2.gz BXILBTCQHQOFAT-UHFFFAOYSA-N 1 2 407.518 3.575 20 30 HHEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000508828036 1003250577 /nfs/dbraw/zinc/25/05/77/1003250577.db2.gz OCFFNIWRWJEBMA-SFHVURJKSA-N 1 2 421.467 3.657 20 30 HHEDLO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000508849198 1003270286 /nfs/dbraw/zinc/27/02/86/1003270286.db2.gz PQXDSJSEMPWXQE-QFIPXVFZSA-N 1 2 419.504 3.602 20 30 HHEDLO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000508859480 1003279483 /nfs/dbraw/zinc/27/94/83/1003279483.db2.gz VYGBZQNAKHPTSG-KRWDZBQOSA-N 1 2 424.499 3.996 20 30 HHEDLO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000508859482 1003279760 /nfs/dbraw/zinc/27/97/60/1003279760.db2.gz VYGBZQNAKHPTSG-QGZVFWFLSA-N 1 2 424.499 3.996 20 30 HHEDLO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508863187 1003283338 /nfs/dbraw/zinc/28/33/38/1003283338.db2.gz IXRHQGGGCVUUIK-UHFFFAOYSA-N 1 2 407.518 3.575 20 30 HHEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000508921395 1003360996 /nfs/dbraw/zinc/36/09/96/1003360996.db2.gz YOKWIZDAWMSPBR-GOSISDBHSA-N 1 2 404.356 3.808 20 30 HHEDLO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508934206 1003380171 /nfs/dbraw/zinc/38/01/71/1003380171.db2.gz IWUXURBRNBWEGU-QFBILLFUSA-N 1 2 401.942 3.537 20 30 HHEDLO C=CCn1c(-c2cccc3ccccc32)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000508952153 1003409888 /nfs/dbraw/zinc/40/98/88/1003409888.db2.gz OYEDGSLOJDMSAA-UHFFFAOYSA-N 1 2 411.513 3.709 20 30 HHEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000509612181 1003979237 /nfs/dbraw/zinc/97/92/37/1003979237.db2.gz XCFNMIGYWLWMLY-NRFANRHFSA-N 1 2 422.529 3.554 20 30 HHEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3csc(CC)n3)CC2)ccc1OC ZINC000512068188 1003997114 /nfs/dbraw/zinc/99/71/14/1003997114.db2.gz PXNROKWQJKDVGQ-UHFFFAOYSA-N 1 2 401.576 3.987 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000512192687 1004094049 /nfs/dbraw/zinc/09/40/49/1004094049.db2.gz BGYMTZAITLUQFT-HNNXBMFYSA-N 1 2 408.901 3.990 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000512192687 1004094056 /nfs/dbraw/zinc/09/40/56/1004094056.db2.gz BGYMTZAITLUQFT-HNNXBMFYSA-N 1 2 408.901 3.990 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000512212665 1004113975 /nfs/dbraw/zinc/11/39/75/1004113975.db2.gz OBDOFXRAMPNXIR-IBGZPJMESA-N 1 2 408.420 3.974 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000512212665 1004113980 /nfs/dbraw/zinc/11/39/80/1004113980.db2.gz OBDOFXRAMPNXIR-IBGZPJMESA-N 1 2 408.420 3.974 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501121414 1004218481 /nfs/dbraw/zinc/21/84/81/1004218481.db2.gz NZYPNCTVMLHWES-NHCUHLMSSA-N 1 2 419.472 3.583 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501121414 1004218486 /nfs/dbraw/zinc/21/84/86/1004218486.db2.gz NZYPNCTVMLHWES-NHCUHLMSSA-N 1 2 419.472 3.583 20 30 HHEDLO N#Cc1ccc2ncc(C[N@H+]3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)n2c1 ZINC000512557654 1004383881 /nfs/dbraw/zinc/38/38/81/1004383881.db2.gz VRRSQXQHOOPMAK-UHFFFAOYSA-N 1 2 408.893 3.599 20 30 HHEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCN(C(=O)Nc4cccc(Cl)c4)CC3)n2c1 ZINC000512557654 1004383887 /nfs/dbraw/zinc/38/38/87/1004383887.db2.gz VRRSQXQHOOPMAK-UHFFFAOYSA-N 1 2 408.893 3.599 20 30 HHEDLO C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)cc2C1=O ZINC000512569939 1004392042 /nfs/dbraw/zinc/39/20/42/1004392042.db2.gz OLDKVMBBSYTDEX-UHFFFAOYSA-N 1 2 406.829 3.560 20 30 HHEDLO N#Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cnc1C(F)(F)F ZINC000512758789 1004541513 /nfs/dbraw/zinc/54/15/13/1004541513.db2.gz LRWRBOOUBNMTIU-ZDUSSCGKSA-N 1 2 403.408 3.525 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c(F)c1 ZINC000512811550 1004573991 /nfs/dbraw/zinc/57/39/91/1004573991.db2.gz HUXCRJVRLBOLQF-JOCHJYFZSA-N 1 2 411.452 3.700 20 30 HHEDLO Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512815171 1004576505 /nfs/dbraw/zinc/57/65/05/1004576505.db2.gz ASPPNOJLYZEHON-UHFFFAOYSA-N 1 2 416.518 3.713 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Cl)c3-n3cccn3)CC2)cc1 ZINC000510512005 1004636179 /nfs/dbraw/zinc/63/61/79/1004636179.db2.gz ZMWMOBFTQHHDCT-UHFFFAOYSA-N 1 2 420.904 3.747 20 30 HHEDLO CCOC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000502216896 1004962910 /nfs/dbraw/zinc/96/29/10/1004962910.db2.gz OCSXMHNVKINHTB-OAHLLOKOSA-N 1 2 417.575 3.881 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1OCCCC#N ZINC000513762372 1005114407 /nfs/dbraw/zinc/11/44/07/1005114407.db2.gz QVURVVWUIXPXFL-UHFFFAOYSA-N 1 2 403.429 3.726 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1OCCCC#N ZINC000513762372 1005114410 /nfs/dbraw/zinc/11/44/10/1005114410.db2.gz QVURVVWUIXPXFL-UHFFFAOYSA-N 1 2 403.429 3.726 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)c1 ZINC000513784544 1005125093 /nfs/dbraw/zinc/12/50/93/1005125093.db2.gz TZOIRHFNLVPKBC-XMMPIXPASA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)c1 ZINC000513784544 1005125097 /nfs/dbraw/zinc/12/50/97/1005125097.db2.gz TZOIRHFNLVPKBC-XMMPIXPASA-N 1 2 402.519 3.980 20 30 HHEDLO C=CCc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc(OC)c1OC ZINC000513991837 1005217186 /nfs/dbraw/zinc/21/71/86/1005217186.db2.gz KRSKFBAYUPVPNK-IBGZPJMESA-N 1 2 400.906 3.872 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000502896382 1005264443 /nfs/dbraw/zinc/26/44/43/1005264443.db2.gz OFVGAUJMTDUGOR-QGZVFWFLSA-N 1 2 403.592 3.776 20 30 HHEDLO CCOc1ccccc1C[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000514112758 1005271315 /nfs/dbraw/zinc/27/13/15/1005271315.db2.gz JDCCSPGBGSEWHH-UHFFFAOYSA-N 1 2 404.432 3.704 20 30 HHEDLO CCOc1ccccc1C[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000514112758 1005271319 /nfs/dbraw/zinc/27/13/19/1005271319.db2.gz JDCCSPGBGSEWHH-UHFFFAOYSA-N 1 2 404.432 3.704 20 30 HHEDLO CCC[C@@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000514338414 1005338741 /nfs/dbraw/zinc/33/87/41/1005338741.db2.gz VFXICWHBSAJJPT-XMMPIXPASA-N 1 2 404.558 3.724 20 30 HHEDLO CCC[C@@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000514338414 1005338746 /nfs/dbraw/zinc/33/87/46/1005338746.db2.gz VFXICWHBSAJJPT-XMMPIXPASA-N 1 2 404.558 3.724 20 30 HHEDLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(F)c(C#N)c1 ZINC000503208944 1005369031 /nfs/dbraw/zinc/36/90/31/1005369031.db2.gz LMFCSKRKTLTCGN-UHFFFAOYSA-N 1 2 410.312 3.660 20 30 HHEDLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(F)c(C#N)c1 ZINC000503208944 1005369034 /nfs/dbraw/zinc/36/90/34/1005369034.db2.gz LMFCSKRKTLTCGN-UHFFFAOYSA-N 1 2 410.312 3.660 20 30 HHEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000503795208 1005494073 /nfs/dbraw/zinc/49/40/73/1005494073.db2.gz CBWFKQNTWOVHGS-SJLPKXTDSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000503795208 1005494075 /nfs/dbraw/zinc/49/40/75/1005494075.db2.gz CBWFKQNTWOVHGS-SJLPKXTDSA-N 1 2 410.326 3.589 20 30 HHEDLO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000514829815 1006160054 /nfs/dbraw/zinc/16/00/54/1006160054.db2.gz NBCMZCNKBMEJIJ-KSSFIOAISA-N 1 2 423.460 3.829 20 30 HHEDLO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000514829815 1006160066 /nfs/dbraw/zinc/16/00/66/1006160066.db2.gz NBCMZCNKBMEJIJ-KSSFIOAISA-N 1 2 423.460 3.829 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000534225680 1006223060 /nfs/dbraw/zinc/22/30/60/1006223060.db2.gz IYDJPFONWJTBDE-UHFFFAOYSA-N 1 2 420.916 3.876 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000534225680 1006223072 /nfs/dbraw/zinc/22/30/72/1006223072.db2.gz IYDJPFONWJTBDE-UHFFFAOYSA-N 1 2 420.916 3.876 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000534778278 1006776893 /nfs/dbraw/zinc/77/68/93/1006776893.db2.gz XVAPLBPKVNINSS-HXUWFJFHSA-N 1 2 420.513 3.988 20 30 HHEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000532518275 1006954858 /nfs/dbraw/zinc/95/48/58/1006954858.db2.gz NSQHTWYIMFZMDV-OAQYLSRUSA-N 1 2 408.889 3.598 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC2)c1 ZINC000532556934 1006990195 /nfs/dbraw/zinc/99/01/95/1006990195.db2.gz SZZFJJNNNQBLLY-UHFFFAOYSA-N 1 2 401.413 3.642 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c1C#N ZINC000532589418 1007026590 /nfs/dbraw/zinc/02/65/90/1007026590.db2.gz GYNDPTALVFFOJC-UHFFFAOYSA-N 1 2 406.461 3.881 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c1C#N ZINC000532589418 1007026605 /nfs/dbraw/zinc/02/66/05/1007026605.db2.gz GYNDPTALVFFOJC-UHFFFAOYSA-N 1 2 406.461 3.881 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532903965 1007279414 /nfs/dbraw/zinc/27/94/14/1007279414.db2.gz DFTNKGQUEYVNNM-INIZCTEOSA-N 1 2 411.527 3.780 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532903965 1007279421 /nfs/dbraw/zinc/27/94/21/1007279421.db2.gz DFTNKGQUEYVNNM-INIZCTEOSA-N 1 2 411.527 3.780 20 30 HHEDLO C=CCOc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1OC ZINC000517624930 1007833213 /nfs/dbraw/zinc/83/32/13/1007833213.db2.gz FLCRUFHLMZZFMV-UHFFFAOYSA-N 1 2 407.470 3.809 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000536018572 1008057502 /nfs/dbraw/zinc/05/75/02/1008057502.db2.gz URXBUIXJAICHSQ-UHFFFAOYSA-N 1 2 424.570 3.837 20 30 HHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539765427 1008081236 /nfs/dbraw/zinc/08/12/36/1008081236.db2.gz HNKIYYDBUXCBDK-APWZRJJASA-N 1 2 406.534 3.931 20 30 HHEDLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)ccc2NC1=O ZINC000540459698 1008440410 /nfs/dbraw/zinc/44/04/10/1008440410.db2.gz XVQMKZSLVARUJL-ACJLOTCBSA-N 1 2 403.442 3.569 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cn(-c4ccc(F)c(Cl)c4)nn3)CC2)c1 ZINC000543028084 1008610410 /nfs/dbraw/zinc/61/04/10/1008610410.db2.gz HCWNMHYFGBHUKD-UHFFFAOYSA-N 1 2 411.868 3.975 20 30 HHEDLO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549260711 1008831447 /nfs/dbraw/zinc/83/14/47/1008831447.db2.gz STUDLPKGTMPBPV-UHFFFAOYSA-N 1 2 416.573 3.747 20 30 HHEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3cccc(Br)c3)CC2)CCCCC1 ZINC000546103684 1009127001 /nfs/dbraw/zinc/12/70/01/1009127001.db2.gz AQLRJNQRPLHYQI-UHFFFAOYSA-N 1 2 420.351 3.635 20 30 HHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc1C ZINC000543547535 1009147395 /nfs/dbraw/zinc/14/73/95/1009147395.db2.gz YODLPZDHGOFHDE-KFQBCUIXSA-N 1 2 420.579 3.598 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543880868 1009454443 /nfs/dbraw/zinc/45/44/43/1009454443.db2.gz XFLTXIHKKXMWCM-QUCCMNQESA-N 1 2 402.420 3.610 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543880868 1009454449 /nfs/dbraw/zinc/45/44/49/1009454449.db2.gz XFLTXIHKKXMWCM-QUCCMNQESA-N 1 2 402.420 3.610 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543893169 1009473298 /nfs/dbraw/zinc/47/32/98/1009473298.db2.gz FLKFKZBLBJWKQO-TZIWHRDSSA-N 1 2 416.447 3.952 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543893169 1009473301 /nfs/dbraw/zinc/47/33/01/1009473301.db2.gz FLKFKZBLBJWKQO-TZIWHRDSSA-N 1 2 416.447 3.952 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543893167 1009473584 /nfs/dbraw/zinc/47/35/84/1009473584.db2.gz FLKFKZBLBJWKQO-FPOVZHCZSA-N 1 2 416.447 3.952 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543893167 1009473591 /nfs/dbraw/zinc/47/35/91/1009473591.db2.gz FLKFKZBLBJWKQO-FPOVZHCZSA-N 1 2 416.447 3.952 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)N3CCC(CCCn4cc[nH+]c4)CC3)n2)c(F)c1 ZINC000543973736 1009576368 /nfs/dbraw/zinc/57/63/68/1009576368.db2.gz LYTSNNMRVXHWRT-UHFFFAOYSA-N 1 2 421.480 3.804 20 30 HHEDLO Cc1nc(C)c(C#N)c(SCC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000551059304 1010340965 /nfs/dbraw/zinc/34/09/65/1010340965.db2.gz KSHIVRJNRNRYIU-UHFFFAOYSA-N 1 2 423.586 3.525 20 30 HHEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)c1C#N ZINC000551556370 1010659147 /nfs/dbraw/zinc/65/91/47/1010659147.db2.gz LJBLLJRYBDVQHZ-UHFFFAOYSA-N 1 2 412.950 3.699 20 30 HHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000548755365 1010724028 /nfs/dbraw/zinc/72/40/28/1010724028.db2.gz PBTXIKOFEQSTKQ-NRFANRHFSA-N 1 2 409.921 3.668 20 30 HHEDLO C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000548848390 1010744156 /nfs/dbraw/zinc/74/41/56/1010744156.db2.gz NFJDCGJBZGZYLF-UHFFFAOYSA-N 1 2 414.513 3.903 20 30 HHEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000522984105 1011435668 /nfs/dbraw/zinc/43/56/68/1011435668.db2.gz BBNUKTAWENWNNV-AWEZNQCLSA-N 1 2 418.360 3.981 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)cc1 ZINC000523388697 1011867023 /nfs/dbraw/zinc/86/70/23/1011867023.db2.gz WBDRLEOCWRYRCH-BJKOFHAPSA-N 1 2 402.542 3.797 20 30 HHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2)[nH]n1 ZINC000536995919 1012297238 /nfs/dbraw/zinc/29/72/38/1012297238.db2.gz QXLDSNBBPREERF-UHFFFAOYSA-N 1 2 416.529 3.815 20 30 HHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2)n[nH]1 ZINC000536995919 1012297243 /nfs/dbraw/zinc/29/72/43/1012297243.db2.gz QXLDSNBBPREERF-UHFFFAOYSA-N 1 2 416.529 3.815 20 30 HHEDLO N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)o2)cc1 ZINC000523959197 1012702745 /nfs/dbraw/zinc/70/27/45/1012702745.db2.gz UUNVLWDTQJFNIR-UHFFFAOYSA-N 1 2 417.465 3.815 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542047605 1012954924 /nfs/dbraw/zinc/95/49/24/1012954924.db2.gz OJOUWQPTDVGCTC-CTNGQTDRSA-N 1 2 416.447 3.952 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542047605 1012954931 /nfs/dbraw/zinc/95/49/31/1012954931.db2.gz OJOUWQPTDVGCTC-CTNGQTDRSA-N 1 2 416.447 3.952 20 30 HHEDLO C[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCc2ccccc2C1 ZINC000542069183 1012990209 /nfs/dbraw/zinc/99/02/09/1012990209.db2.gz BUNYVPKOBALCTC-OAHLLOKOSA-N 1 2 405.889 3.783 20 30 HHEDLO C[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@H+]1CCc2ccccc2C1 ZINC000542069183 1012990227 /nfs/dbraw/zinc/99/02/27/1012990227.db2.gz BUNYVPKOBALCTC-OAHLLOKOSA-N 1 2 405.889 3.783 20 30 HHEDLO Fc1cc2[nH]c([N-][NH+]=Cc3cc4ccccc4nc3N3CCOCC3)[nH+]c2cc1F ZINC000912825227 1072287305 /nfs/dbraw/zinc/28/73/05/1072287305.db2.gz MLQNYVJYXVNNLA-UHFFFAOYSA-N 1 2 408.412 3.672 20 30 HHEDLO N#Cc1ccc(NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000574092074 1075165755 /nfs/dbraw/zinc/16/57/55/1075165755.db2.gz MDMWUBKGQVVARG-IBGZPJMESA-N 1 2 420.391 3.971 20 30 HHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C/c3c[nH+]c4c(C)cccn34)c2)cc1 ZINC000761197401 1075581162 /nfs/dbraw/zinc/58/11/62/1075581162.db2.gz COGHESAAVMOAGW-JXMROGBWSA-N 1 2 405.479 3.886 20 30 HHEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001165010984 721719151 /nfs/dbraw/zinc/71/91/51/721719151.db2.gz LRZDXJDHLMNXLP-UHFFFAOYSA-N 1 2 409.925 3.602 20 30 HHEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001165010984 721719157 /nfs/dbraw/zinc/71/91/57/721719157.db2.gz LRZDXJDHLMNXLP-UHFFFAOYSA-N 1 2 409.925 3.602 20 30 HHEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000542111565 1013045361 /nfs/dbraw/zinc/04/53/61/1013045361.db2.gz LISFHWTYIDDOSR-UHFFFAOYSA-N 1 2 421.480 3.804 20 30 HHEDLO Cc1ccc([C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCOCC2)cc1 ZINC000301335155 970874492 /nfs/dbraw/zinc/87/44/92/970874492.db2.gz CQAXCKAUMBULSI-QFIPXVFZSA-N 1 2 417.469 3.809 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000302737737 971296633 /nfs/dbraw/zinc/29/66/33/971296633.db2.gz GGKUEVBJJOTTLL-QHCPKHFHSA-N 1 2 412.555 3.913 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000302737737 971296648 /nfs/dbraw/zinc/29/66/48/971296648.db2.gz GGKUEVBJJOTTLL-QHCPKHFHSA-N 1 2 412.555 3.913 20 30 HHEDLO CC(C)(C#N)c1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000302972902 971428445 /nfs/dbraw/zinc/42/84/45/971428445.db2.gz GPHDJBSVUGRDFB-UHFFFAOYSA-N 1 2 401.470 3.965 20 30 HHEDLO C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000303476597 971776999 /nfs/dbraw/zinc/77/69/99/971776999.db2.gz NXUYWXGGWFQZCK-GOSISDBHSA-N 1 2 410.493 3.657 20 30 HHEDLO N#Cc1ccc(N2CC[C@@H](C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)C2)c(F)c1 ZINC000553287574 1013243823 /nfs/dbraw/zinc/24/38/23/1013243823.db2.gz WUNWOXHRXOHOAG-HXUWFJFHSA-N 1 2 421.520 3.615 20 30 HHEDLO COc1ccccc1COC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000537684205 1013246187 /nfs/dbraw/zinc/24/61/87/1013246187.db2.gz VEEZKRNCBMYZOV-UHFFFAOYSA-N 1 2 413.905 3.840 20 30 HHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000553406489 1013332448 /nfs/dbraw/zinc/33/24/48/1013332448.db2.gz AXJMLKKCNXSAFG-IBGZPJMESA-N 1 2 401.417 3.600 20 30 HHEDLO COc1cc(C[N@H+](CC(=O)Nc2sccc2C#N)C2CC2)ccc1OC(F)F ZINC000015036707 962636274 /nfs/dbraw/zinc/63/62/74/962636274.db2.gz FUTWYPBFFRQKGY-UHFFFAOYSA-N 1 2 407.442 3.833 20 30 HHEDLO COc1cc(C[N@@H+](CC(=O)Nc2sccc2C#N)C2CC2)ccc1OC(F)F ZINC000015036707 962636281 /nfs/dbraw/zinc/63/62/81/962636281.db2.gz FUTWYPBFFRQKGY-UHFFFAOYSA-N 1 2 407.442 3.833 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000553479510 1013385395 /nfs/dbraw/zinc/38/53/95/1013385395.db2.gz HCDNWCOTBXVUBL-UHFFFAOYSA-N 1 2 418.478 3.542 20 30 HHEDLO Cc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)n2c3ccccc3nc2c1C#N ZINC000022534821 963669427 /nfs/dbraw/zinc/66/94/27/963669427.db2.gz AHZCHVGCQWVMGB-UHFFFAOYSA-N 1 2 421.508 3.638 20 30 HHEDLO C[C@@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc2ccccc21 ZINC000022778950 963714644 /nfs/dbraw/zinc/71/46/44/963714644.db2.gz PKHVCLXGBFQRQZ-HXUWFJFHSA-N 1 2 412.537 3.706 20 30 HHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000023057712 963761722 /nfs/dbraw/zinc/76/17/22/963761722.db2.gz ROONSKCCYFRQEK-ROUUACIJSA-N 1 2 402.970 3.750 20 30 HHEDLO Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000023753016 963884675 /nfs/dbraw/zinc/88/46/75/963884675.db2.gz IHJHNEFCWWHCHV-UHFFFAOYSA-N 1 2 418.541 3.698 20 30 HHEDLO Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000023753016 963884677 /nfs/dbraw/zinc/88/46/77/963884677.db2.gz IHJHNEFCWWHCHV-UHFFFAOYSA-N 1 2 418.541 3.698 20 30 HHEDLO C=CCN(C(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000542521711 1013464472 /nfs/dbraw/zinc/46/44/72/1013464472.db2.gz OQQLCEJEIMIAID-UHFFFAOYSA-N 1 2 410.949 3.848 20 30 HHEDLO N#Cc1ccc(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000048981775 964103403 /nfs/dbraw/zinc/10/34/03/964103403.db2.gz JURIZBQHDSQURD-IBGZPJMESA-N 1 2 400.885 3.987 20 30 HHEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(C)Cc3ccc4c(c3)OCO4)n2)CC1 ZINC000051828966 964714859 /nfs/dbraw/zinc/71/48/59/964714859.db2.gz KJSZFQMIELDQOC-UHFFFAOYSA-N 1 2 416.547 3.824 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027417415 964885217 /nfs/dbraw/zinc/88/52/17/964885217.db2.gz JFECTWVJYVCEPZ-HNNXBMFYSA-N 1 2 422.554 3.786 20 30 HHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000054537466 965558111 /nfs/dbraw/zinc/55/81/11/965558111.db2.gz YAAAQBUDKIBUAP-UHFFFAOYSA-N 1 2 403.486 3.954 20 30 HHEDLO Cc1cc(C)cc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000060197191 966073485 /nfs/dbraw/zinc/07/34/85/966073485.db2.gz RZMVAALFGACLIG-UHFFFAOYSA-N 1 2 404.470 3.553 20 30 HHEDLO N#Cc1ccccc1OCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895366 966148110 /nfs/dbraw/zinc/14/81/10/966148110.db2.gz HZOGVAUVAXJLMV-SFHVURJKSA-N 1 2 401.869 3.683 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000042101147 966718339 /nfs/dbraw/zinc/71/83/39/966718339.db2.gz YOYBQRUQWOAULL-SFHVURJKSA-N 1 2 411.575 3.544 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1cccc(C#N)c1 ZINC000063300518 966807172 /nfs/dbraw/zinc/80/71/72/966807172.db2.gz KABKFJNNHYLSFQ-UHFFFAOYSA-N 1 2 404.514 3.667 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1cccc(C#N)c1 ZINC000063300518 966807180 /nfs/dbraw/zinc/80/71/80/966807180.db2.gz KABKFJNNHYLSFQ-UHFFFAOYSA-N 1 2 404.514 3.667 20 30 HHEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042684150 966828449 /nfs/dbraw/zinc/82/84/49/966828449.db2.gz STDJQVQEAXLQMG-IBGZPJMESA-N 1 2 413.525 3.641 20 30 HHEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042684150 966828458 /nfs/dbraw/zinc/82/84/58/966828458.db2.gz STDJQVQEAXLQMG-IBGZPJMESA-N 1 2 413.525 3.641 20 30 HHEDLO COCC[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063753615 966947108 /nfs/dbraw/zinc/94/71/08/966947108.db2.gz SMKVYSPODNOJPN-UHFFFAOYSA-N 1 2 420.340 3.972 20 30 HHEDLO COCC[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063753615 966947114 /nfs/dbraw/zinc/94/71/14/966947114.db2.gz SMKVYSPODNOJPN-UHFFFAOYSA-N 1 2 420.340 3.972 20 30 HHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045531506 967490221 /nfs/dbraw/zinc/49/02/21/967490221.db2.gz YVSSPACIWDKNHI-UHFFFAOYSA-N 1 2 401.514 3.967 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000048273558 968508652 /nfs/dbraw/zinc/50/86/52/968508652.db2.gz DJMSCNFSNRPQDK-UHFFFAOYSA-N 1 2 405.502 3.862 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000048273558 968508678 /nfs/dbraw/zinc/50/86/78/968508678.db2.gz DJMSCNFSNRPQDK-UHFFFAOYSA-N 1 2 405.502 3.862 20 30 HHEDLO C=CCN(CCc1ccccc1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000065776109 968636998 /nfs/dbraw/zinc/63/69/98/968636998.db2.gz SZTFEUQKMGZKKW-UHFFFAOYSA-N 1 2 402.498 3.783 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000065870099 968691330 /nfs/dbraw/zinc/69/13/30/968691330.db2.gz UVZQHTWQIUBRCX-UHFFFAOYSA-N 1 2 400.482 3.998 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCOc4c(Cl)cccc43)CC2)cc1 ZINC000538290128 1013825800 /nfs/dbraw/zinc/82/58/00/1013825800.db2.gz IQIKJMYFXGEHEU-NRFANRHFSA-N 1 2 424.932 3.953 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H](C)C(=O)Nc3c(C)cccc3C)c2)n1 ZINC000097571587 969166013 /nfs/dbraw/zinc/16/60/13/969166013.db2.gz GDDYZWHMUKPRSN-LJQANCHMSA-N 1 2 419.529 3.829 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000554249351 1013873183 /nfs/dbraw/zinc/87/31/83/1013873183.db2.gz FFXLANGRQVYYCU-PKOBYXMFSA-N 1 2 410.543 3.563 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000554249351 1013873186 /nfs/dbraw/zinc/87/31/86/1013873186.db2.gz FFXLANGRQVYYCU-PKOBYXMFSA-N 1 2 410.543 3.563 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)Cc1ccc(OC)cc1 ZINC000109574824 969536043 /nfs/dbraw/zinc/53/60/43/969536043.db2.gz ZUJNRNMCLFHTHH-PMACEKPBSA-N 1 2 423.557 3.936 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)Cc1ccc(OC)cc1 ZINC000109574824 969536051 /nfs/dbraw/zinc/53/60/51/969536051.db2.gz ZUJNRNMCLFHTHH-PMACEKPBSA-N 1 2 423.557 3.936 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000554565125 1013978805 /nfs/dbraw/zinc/97/88/05/1013978805.db2.gz ZNSGBUPPENCPTO-SFHVURJKSA-N 1 2 414.431 3.763 20 30 HHEDLO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000554630814 1013993739 /nfs/dbraw/zinc/99/37/39/1013993739.db2.gz UCYMVKSXIQKCRG-UHFFFAOYSA-N 1 2 400.486 3.595 20 30 HHEDLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000248170311 970517586 /nfs/dbraw/zinc/51/75/86/970517586.db2.gz RLXPIZNXUFSHBA-RUZDIDTESA-N 1 2 404.558 3.579 20 30 HHEDLO CC(C)[C@@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000248170311 970517592 /nfs/dbraw/zinc/51/75/92/970517592.db2.gz RLXPIZNXUFSHBA-RUZDIDTESA-N 1 2 404.558 3.579 20 30 HHEDLO CC(C)[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248251587 970523781 /nfs/dbraw/zinc/52/37/81/970523781.db2.gz JEGSBTRABZKNCN-HBUWYVDXSA-N 1 2 413.440 3.572 20 30 HHEDLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000328606329 972767386 /nfs/dbraw/zinc/76/73/86/972767386.db2.gz RCEOHFVNYBROLU-LSDHHAIUSA-N 1 2 403.527 3.587 20 30 HHEDLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000328606329 972767395 /nfs/dbraw/zinc/76/73/95/972767395.db2.gz RCEOHFVNYBROLU-LSDHHAIUSA-N 1 2 403.527 3.587 20 30 HHEDLO N#Cc1cccc(N2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)n1 ZINC000409730191 973204239 /nfs/dbraw/zinc/20/42/39/973204239.db2.gz VYTYBTOUXYDDGV-UHFFFAOYSA-N 1 2 412.266 3.730 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426184432 974294786 /nfs/dbraw/zinc/29/47/86/974294786.db2.gz USIPBRGCOWUWST-HZPDHXFCSA-N 1 2 403.548 3.683 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426184432 974294788 /nfs/dbraw/zinc/29/47/88/974294788.db2.gz USIPBRGCOWUWST-HZPDHXFCSA-N 1 2 403.548 3.683 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426211862 974315776 /nfs/dbraw/zinc/31/57/76/974315776.db2.gz WATSYUAETCGDBN-CABCVRRESA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426211862 974315783 /nfs/dbraw/zinc/31/57/83/974315783.db2.gz WATSYUAETCGDBN-CABCVRRESA-N 1 2 417.575 3.879 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000426368506 974418275 /nfs/dbraw/zinc/41/82/75/974418275.db2.gz YXPGSSWSCLWMDP-QFIPXVFZSA-N 1 2 408.933 3.525 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000426368506 974418278 /nfs/dbraw/zinc/41/82/78/974418278.db2.gz YXPGSSWSCLWMDP-QFIPXVFZSA-N 1 2 408.933 3.525 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCC(CO)CC3)sc2C1 ZINC000426398657 974432450 /nfs/dbraw/zinc/43/24/50/974432450.db2.gz XPNURMSCOHMGTK-MRXNPFEDSA-N 1 2 403.592 3.804 20 30 HHEDLO CSc1ccc([C@H](CNC(=O)NCCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000426437925 974449029 /nfs/dbraw/zinc/44/90/29/974449029.db2.gz AESIDPQAYQCEFB-SFHVURJKSA-N 1 2 400.573 3.782 20 30 HHEDLO CSc1ccc([C@H](CNC(=O)NCCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000426437925 974449035 /nfs/dbraw/zinc/44/90/35/974449035.db2.gz AESIDPQAYQCEFB-SFHVURJKSA-N 1 2 400.573 3.782 20 30 HHEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000427673622 975233916 /nfs/dbraw/zinc/23/39/16/975233916.db2.gz VXKPECXWPWXTJZ-AWEZNQCLSA-N 1 2 409.271 3.578 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccccc3Oc3ccccc3)C2)nc1 ZINC000428786233 976060920 /nfs/dbraw/zinc/06/09/20/976060920.db2.gz NRJCZKDUQGAXGS-FQEVSTJZSA-N 1 2 414.465 3.837 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccccc3Oc3ccccc3)C2)nc1 ZINC000428786233 976060929 /nfs/dbraw/zinc/06/09/29/976060929.db2.gz NRJCZKDUQGAXGS-FQEVSTJZSA-N 1 2 414.465 3.837 20 30 HHEDLO COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)c1OC ZINC000428809401 976088178 /nfs/dbraw/zinc/08/81/78/976088178.db2.gz VTQGCKWFZBOAHN-QGZVFWFLSA-N 1 2 422.510 3.747 20 30 HHEDLO COc1cccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)c1OC ZINC000428809401 976088191 /nfs/dbraw/zinc/08/81/91/976088191.db2.gz VTQGCKWFZBOAHN-QGZVFWFLSA-N 1 2 422.510 3.747 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428811376 976090312 /nfs/dbraw/zinc/09/03/12/976090312.db2.gz ZXKNUWYLNQXFAP-DOMZBBRYSA-N 1 2 405.285 3.740 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428811376 976090324 /nfs/dbraw/zinc/09/03/24/976090324.db2.gz ZXKNUWYLNQXFAP-DOMZBBRYSA-N 1 2 405.285 3.740 20 30 HHEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000428814404 976093579 /nfs/dbraw/zinc/09/35/79/976093579.db2.gz ROKFERSEDIBPMJ-JJXUHFIVSA-N 1 2 420.431 3.779 20 30 HHEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000428814404 976093590 /nfs/dbraw/zinc/09/35/90/976093590.db2.gz ROKFERSEDIBPMJ-JJXUHFIVSA-N 1 2 420.431 3.779 20 30 HHEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000428814407 976093799 /nfs/dbraw/zinc/09/37/99/976093799.db2.gz ROKFERSEDIBPMJ-VMRPVKRXSA-N 1 2 420.431 3.779 20 30 HHEDLO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)C[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000428814407 976093812 /nfs/dbraw/zinc/09/38/12/976093812.db2.gz ROKFERSEDIBPMJ-VMRPVKRXSA-N 1 2 420.431 3.779 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)Cc2occc2C)cc1 ZINC000429387293 976660521 /nfs/dbraw/zinc/66/05/21/976660521.db2.gz LMICXLYUVSDFCY-UHFFFAOYSA-N 1 2 406.486 3.946 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)Cc2occc2C)cc1 ZINC000429387293 976660529 /nfs/dbraw/zinc/66/05/29/976660529.db2.gz LMICXLYUVSDFCY-UHFFFAOYSA-N 1 2 406.486 3.946 20 30 HHEDLO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2F)c1 ZINC000429426104 976703973 /nfs/dbraw/zinc/70/39/73/976703973.db2.gz MTCNIEHAWBUUHA-SFHVURJKSA-N 1 2 405.433 3.609 20 30 HHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000429480004 976742108 /nfs/dbraw/zinc/74/21/08/976742108.db2.gz ZILRMNIYPITZMU-UHFFFAOYSA-N 1 2 407.396 3.696 20 30 HHEDLO N#CCCn1ncc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1-c1ccccc1 ZINC000430087902 977314460 /nfs/dbraw/zinc/31/44/60/977314460.db2.gz VORALFGUKBTPNL-UHFFFAOYSA-N 1 2 416.529 3.993 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1Cl ZINC000430251399 977420710 /nfs/dbraw/zinc/42/07/10/977420710.db2.gz DBWJTIGOMLBZPI-KGVIQGDOSA-N 1 2 419.953 3.554 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)ccc1Cl ZINC000430251399 977420715 /nfs/dbraw/zinc/42/07/15/977420715.db2.gz DBWJTIGOMLBZPI-KGVIQGDOSA-N 1 2 419.953 3.554 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000430270292 977434740 /nfs/dbraw/zinc/43/47/40/977434740.db2.gz UTVQTCZZRDBBLE-MDAIXWLXSA-N 1 2 413.562 3.597 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000430270292 977434741 /nfs/dbraw/zinc/43/47/41/977434741.db2.gz UTVQTCZZRDBBLE-MDAIXWLXSA-N 1 2 413.562 3.597 20 30 HHEDLO N#CCCC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000431783236 978510074 /nfs/dbraw/zinc/51/00/74/978510074.db2.gz ROOLPCWKTVREJM-HSZRJFAPSA-N 1 2 406.530 3.753 20 30 HHEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)c2C1 ZINC000432766812 978966293 /nfs/dbraw/zinc/96/62/93/978966293.db2.gz QZKXIPJVGYVIDQ-UHFFFAOYSA-N 1 2 420.332 3.847 20 30 HHEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)c2C1 ZINC000432766812 978966296 /nfs/dbraw/zinc/96/62/96/978966296.db2.gz QZKXIPJVGYVIDQ-UHFFFAOYSA-N 1 2 420.332 3.847 20 30 HHEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)c2C1 ZINC000432951910 979021298 /nfs/dbraw/zinc/02/12/98/979021298.db2.gz VKKNHXSPSBYOAU-UHFFFAOYSA-N 1 2 420.332 3.846 20 30 HHEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Br)c3)c2C1 ZINC000432951910 979021303 /nfs/dbraw/zinc/02/13/03/979021303.db2.gz VKKNHXSPSBYOAU-UHFFFAOYSA-N 1 2 420.332 3.846 20 30 HHEDLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000434691396 980343648 /nfs/dbraw/zinc/34/36/48/980343648.db2.gz QPMOIMQJQHQWJH-QGZVFWFLSA-N 1 2 405.477 3.944 20 30 HHEDLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000434691396 980343652 /nfs/dbraw/zinc/34/36/52/980343652.db2.gz QPMOIMQJQHQWJH-QGZVFWFLSA-N 1 2 405.477 3.944 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000434834053 980431295 /nfs/dbraw/zinc/43/12/95/980431295.db2.gz ZKBIEVWUQOCKDP-QHCPKHFHSA-N 1 2 420.488 3.877 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000434834053 980431300 /nfs/dbraw/zinc/43/13/00/980431300.db2.gz ZKBIEVWUQOCKDP-QHCPKHFHSA-N 1 2 420.488 3.877 20 30 HHEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000434886979 980469814 /nfs/dbraw/zinc/46/98/14/980469814.db2.gz LIWFEPBPWMXCEL-HSZRJFAPSA-N 1 2 424.497 3.989 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCSC(C)(C)C2)c1C#N ZINC000434898799 980478842 /nfs/dbraw/zinc/47/88/42/980478842.db2.gz XAGVTFNQBNQBAO-UHFFFAOYSA-N 1 2 414.550 3.930 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCSC(C)(C)C2)c1C#N ZINC000434898799 980478849 /nfs/dbraw/zinc/47/88/49/980478849.db2.gz XAGVTFNQBNQBAO-UHFFFAOYSA-N 1 2 414.550 3.930 20 30 HHEDLO CCOc1ccc2nc(NC(=O)C[N@H+](CCOC)Cc3ccc(C#N)cc3)sc2c1 ZINC000434906381 980484027 /nfs/dbraw/zinc/48/40/27/980484027.db2.gz WALCBXGVNQDHQN-UHFFFAOYSA-N 1 2 424.526 3.654 20 30 HHEDLO CCOc1ccc2nc(NC(=O)C[N@@H+](CCOC)Cc3ccc(C#N)cc3)sc2c1 ZINC000434906381 980484032 /nfs/dbraw/zinc/48/40/32/980484032.db2.gz WALCBXGVNQDHQN-UHFFFAOYSA-N 1 2 424.526 3.654 20 30 HHEDLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000437146861 981796182 /nfs/dbraw/zinc/79/61/82/981796182.db2.gz QSGDKZCUUQCOTM-DFBJGRDBSA-N 1 2 409.493 3.695 20 30 HHEDLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000437146861 981796188 /nfs/dbraw/zinc/79/61/88/981796188.db2.gz QSGDKZCUUQCOTM-DFBJGRDBSA-N 1 2 409.493 3.695 20 30 HHEDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460886985 982625033 /nfs/dbraw/zinc/62/50/33/982625033.db2.gz XJVDYBJYUOPRAR-CYFREDJKSA-N 1 2 418.541 3.792 20 30 HHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000438550862 982891058 /nfs/dbraw/zinc/89/10/58/982891058.db2.gz CVYSFBMCPUSKDY-APWZRJJASA-N 1 2 404.297 3.935 20 30 HHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000438550862 982891077 /nfs/dbraw/zinc/89/10/77/982891077.db2.gz CVYSFBMCPUSKDY-APWZRJJASA-N 1 2 404.297 3.935 20 30 HHEDLO Cc1oc(NC(=O)C[NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000438670933 982989933 /nfs/dbraw/zinc/98/99/33/982989933.db2.gz XTCMAZAJCLKHOI-NRFANRHFSA-N 1 2 402.454 3.676 20 30 HHEDLO CCCc1c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439692697 983504245 /nfs/dbraw/zinc/50/42/45/983504245.db2.gz KUBJYFBTPDVNAQ-UHFFFAOYSA-N 1 2 403.490 3.762 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441873423 984511746 /nfs/dbraw/zinc/51/17/46/984511746.db2.gz MTRQXLDLARBMCI-FQEVSTJZSA-N 1 2 414.918 3.745 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000441878017 984514410 /nfs/dbraw/zinc/51/44/10/984514410.db2.gz ZIUPDIGHBIBBBO-FQEVSTJZSA-N 1 2 414.918 3.745 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000462552314 985499610 /nfs/dbraw/zinc/49/96/10/985499610.db2.gz OELNNQVCPBXRFN-AWEZNQCLSA-N 1 2 411.303 3.739 20 30 HHEDLO N#CCCN(C(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000443645658 985837825 /nfs/dbraw/zinc/83/78/25/985837825.db2.gz IQRNESWIHRUXNC-UHFFFAOYSA-N 1 2 416.447 3.774 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463415252 986384974 /nfs/dbraw/zinc/38/49/74/986384974.db2.gz QGZHDQLCFZNTBD-QGZVFWFLSA-N 1 2 405.498 3.583 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463415252 986384980 /nfs/dbraw/zinc/38/49/80/986384980.db2.gz QGZHDQLCFZNTBD-QGZVFWFLSA-N 1 2 405.498 3.583 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444705660 986878964 /nfs/dbraw/zinc/87/89/64/986878964.db2.gz MSLDAUTUIGQHTB-OAHLLOKOSA-N 1 2 408.424 3.831 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444705660 986878975 /nfs/dbraw/zinc/87/89/75/986878975.db2.gz MSLDAUTUIGQHTB-OAHLLOKOSA-N 1 2 408.424 3.831 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000444713459 986886123 /nfs/dbraw/zinc/88/61/23/986886123.db2.gz AQBICMDEBWCFMX-RDTXWAMCSA-N 1 2 417.859 3.530 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000444713459 986886133 /nfs/dbraw/zinc/88/61/33/986886133.db2.gz AQBICMDEBWCFMX-RDTXWAMCSA-N 1 2 417.859 3.530 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000469296183 987011938 /nfs/dbraw/zinc/01/19/38/987011938.db2.gz IWYAGVMGGLEHPX-GHTZIAJQSA-N 1 2 408.408 3.667 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000469296183 987011950 /nfs/dbraw/zinc/01/19/50/987011950.db2.gz IWYAGVMGGLEHPX-GHTZIAJQSA-N 1 2 408.408 3.667 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1C ZINC000470002754 987615493 /nfs/dbraw/zinc/61/54/93/987615493.db2.gz HZHLYFNSOBHJAW-UHFFFAOYSA-N 1 2 416.529 3.886 20 30 HHEDLO C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000470537533 988542919 /nfs/dbraw/zinc/54/29/19/988542919.db2.gz LRYMPHPHHIMCGK-LAUBAEHRSA-N 1 2 420.517 3.581 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000470992463 989057043 /nfs/dbraw/zinc/05/70/43/989057043.db2.gz HYJBSWDSPJKRPR-QZTJIDSGSA-N 1 2 416.543 3.543 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000470992463 989057052 /nfs/dbraw/zinc/05/70/52/989057052.db2.gz HYJBSWDSPJKRPR-QZTJIDSGSA-N 1 2 416.543 3.543 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000464985220 989290720 /nfs/dbraw/zinc/29/07/20/989290720.db2.gz KOCFCIHYUBZRIL-UHFFFAOYSA-N 1 2 408.571 3.952 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000465560870 989927036 /nfs/dbraw/zinc/92/70/36/989927036.db2.gz AWCHTELHWOLSKI-XZOQPEGZSA-N 1 2 413.525 3.955 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3-n3cccn3)CC2)cc1 ZINC000471886261 990059679 /nfs/dbraw/zinc/05/96/79/990059679.db2.gz SHBSUQYEJXUXRI-UHFFFAOYSA-N 1 2 420.904 3.747 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000471963159 990128692 /nfs/dbraw/zinc/12/86/92/990128692.db2.gz GXEWMUJHXQXZFX-PKOBYXMFSA-N 1 2 415.444 3.609 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000471963159 990128695 /nfs/dbraw/zinc/12/86/95/990128695.db2.gz GXEWMUJHXQXZFX-PKOBYXMFSA-N 1 2 415.444 3.609 20 30 HHEDLO CCc1c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1 ZINC000466675022 991989288 /nfs/dbraw/zinc/98/92/88/991989288.db2.gz CXJNYGZIUKWJQJ-UHFFFAOYSA-N 1 2 414.513 3.656 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)nc3)CC2)cc1 ZINC000473283074 994131144 /nfs/dbraw/zinc/13/11/44/994131144.db2.gz ORVSKIKNTQQRGT-UHFFFAOYSA-N 1 2 404.436 3.602 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(OCC(F)(F)F)nc3)CC2)cc1 ZINC000473283074 994131146 /nfs/dbraw/zinc/13/11/46/994131146.db2.gz ORVSKIKNTQQRGT-UHFFFAOYSA-N 1 2 404.436 3.602 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000473967710 994950116 /nfs/dbraw/zinc/95/01/16/994950116.db2.gz GRYBLKRPCITQGP-VXKWHMMOSA-N 1 2 415.497 3.849 20 30 HHEDLO C=CCOc1ccc(C[N@@H+](CC2=Nc3ccccc3S(=O)(=O)N2)C(C)(C)C)cc1 ZINC000474168312 995155734 /nfs/dbraw/zinc/15/57/34/995155734.db2.gz IWDWPFGUNHSZCF-UHFFFAOYSA-N 1 2 413.543 3.874 20 30 HHEDLO C=CCOc1ccc(C[N@H+](CC2=Nc3ccccc3S(=O)(=O)N2)C(C)(C)C)cc1 ZINC000474168312 995155743 /nfs/dbraw/zinc/15/57/43/995155743.db2.gz IWDWPFGUNHSZCF-UHFFFAOYSA-N 1 2 413.543 3.874 20 30 HHEDLO C[C@H](CC(=O)c1ccccc1F)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000482582166 995584416 /nfs/dbraw/zinc/58/44/16/995584416.db2.gz SIIYBBRIXVZZPM-GOSISDBHSA-N 1 2 407.489 3.709 20 30 HHEDLO C=C(C)[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000482640237 995635233 /nfs/dbraw/zinc/63/52/33/995635233.db2.gz GSQKCNTVAOKFQQ-KNQAVFIVSA-N 1 2 415.484 3.782 20 30 HHEDLO C=C(C)[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000482640237 995635242 /nfs/dbraw/zinc/63/52/42/995635242.db2.gz GSQKCNTVAOKFQQ-KNQAVFIVSA-N 1 2 415.484 3.782 20 30 HHEDLO N#Cc1ccc(CSc2nnc(NC(=O)NCc3ccn4cc[nH+]c4c3)s2)cc1 ZINC000474727276 995662820 /nfs/dbraw/zinc/66/28/20/995662820.db2.gz BCXYEENCFGISIC-UHFFFAOYSA-N 1 2 421.511 3.671 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000475737681 996336694 /nfs/dbraw/zinc/33/66/94/996336694.db2.gz MOBUBEVAASKDHT-XBBWARJSSA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000475737681 996336703 /nfs/dbraw/zinc/33/67/03/996336703.db2.gz MOBUBEVAASKDHT-XBBWARJSSA-N 1 2 411.571 3.981 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000476543223 997035279 /nfs/dbraw/zinc/03/52/79/997035279.db2.gz UVBCIXSWUUHOQB-RRPUWOKSSA-N 1 2 411.933 3.915 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000476543223 997035296 /nfs/dbraw/zinc/03/52/96/997035296.db2.gz UVBCIXSWUUHOQB-RRPUWOKSSA-N 1 2 411.933 3.915 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000476543218 997035455 /nfs/dbraw/zinc/03/54/55/997035455.db2.gz UVBCIXSWUUHOQB-IEIRFRATSA-N 1 2 411.933 3.915 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C[C@H](CC#N)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000476543218 997035472 /nfs/dbraw/zinc/03/54/72/997035472.db2.gz UVBCIXSWUUHOQB-IEIRFRATSA-N 1 2 411.933 3.915 20 30 HHEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)C2=O)cc1 ZINC000485550378 998004996 /nfs/dbraw/zinc/00/49/96/998004996.db2.gz MHPXBYSRWPSDSK-CQSZACIVSA-N 1 2 405.342 3.870 20 30 HHEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)C2=O)cc1 ZINC000485550378 998005020 /nfs/dbraw/zinc/00/50/20/998005020.db2.gz MHPXBYSRWPSDSK-CQSZACIVSA-N 1 2 405.342 3.870 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000485657047 998105838 /nfs/dbraw/zinc/10/58/38/998105838.db2.gz LDCLOLXAXSTKDK-NQIIRXRSSA-N 1 2 402.441 3.713 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000485657047 998105844 /nfs/dbraw/zinc/10/58/44/998105844.db2.gz LDCLOLXAXSTKDK-NQIIRXRSSA-N 1 2 402.441 3.713 20 30 HHEDLO CC#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000478486505 998987693 /nfs/dbraw/zinc/98/76/93/998987693.db2.gz GNTSHZVZDYPNIB-SFHVURJKSA-N 1 2 424.326 3.565 20 30 HHEDLO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000478486505 998987698 /nfs/dbraw/zinc/98/76/98/998987698.db2.gz GNTSHZVZDYPNIB-SFHVURJKSA-N 1 2 424.326 3.565 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCO1 ZINC000488375225 999463633 /nfs/dbraw/zinc/46/36/33/999463633.db2.gz BHIDUUUNTOIULB-LJQANCHMSA-N 1 2 408.502 3.891 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCO1 ZINC000488375225 999463637 /nfs/dbraw/zinc/46/36/37/999463637.db2.gz BHIDUUUNTOIULB-LJQANCHMSA-N 1 2 408.502 3.891 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488973552 999661410 /nfs/dbraw/zinc/66/14/10/999661410.db2.gz GCFJFWCOCIUVII-IRXDYDNUSA-N 1 2 403.523 3.729 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488973552 999661411 /nfs/dbraw/zinc/66/14/11/999661411.db2.gz GCFJFWCOCIUVII-IRXDYDNUSA-N 1 2 403.523 3.729 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000489534383 999786439 /nfs/dbraw/zinc/78/64/39/999786439.db2.gz CCODAPFRWONQID-UXHICEINSA-N 1 2 400.885 3.592 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000489534383 999786441 /nfs/dbraw/zinc/78/64/41/999786441.db2.gz CCODAPFRWONQID-UXHICEINSA-N 1 2 400.885 3.592 20 30 HHEDLO Cc1cc(N2CCN(Cc3ccc(C#N)cc3Br)CC2)nc(C(C)C)[nH+]1 ZINC000480681203 999857668 /nfs/dbraw/zinc/85/76/68/999857668.db2.gz HEXLKCJUJUOZRU-UHFFFAOYSA-N 1 2 414.351 3.865 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236716 999917931 /nfs/dbraw/zinc/91/79/31/999917931.db2.gz CKWFDQFHWDYLAM-XLIONFOSSA-N 1 2 400.429 3.802 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236716 999917932 /nfs/dbraw/zinc/91/79/32/999917932.db2.gz CKWFDQFHWDYLAM-XLIONFOSSA-N 1 2 400.429 3.802 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCOc3cccc(Cl)c3Cl)CC2)cc1 ZINC000490630264 999986537 /nfs/dbraw/zinc/98/65/37/999986537.db2.gz NUOMWGXNCNPFIE-UHFFFAOYSA-N 1 2 418.324 3.978 20 30 HHEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c(C)c1 ZINC000491250978 1000058969 /nfs/dbraw/zinc/05/89/69/1000058969.db2.gz VPXAACLEQXZQKR-UHFFFAOYSA-N 1 2 401.514 3.955 20 30 HHEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c(C)c1 ZINC000491250978 1000058972 /nfs/dbraw/zinc/05/89/72/1000058972.db2.gz VPXAACLEQXZQKR-UHFFFAOYSA-N 1 2 401.514 3.955 20 30 HHEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494829588 1000682009 /nfs/dbraw/zinc/68/20/09/1000682009.db2.gz OUBAFFSGJLEGRJ-SJORKVTESA-N 1 2 410.518 3.642 20 30 HHEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494829588 1000682013 /nfs/dbraw/zinc/68/20/13/1000682013.db2.gz OUBAFFSGJLEGRJ-SJORKVTESA-N 1 2 410.518 3.642 20 30 HHEDLO C=CCc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc(OC)c1OC ZINC000505485577 1000811696 /nfs/dbraw/zinc/81/16/96/1000811696.db2.gz CZDRHIZFGUGOMG-SFHVURJKSA-N 1 2 424.541 3.960 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)o1 ZINC000505498710 1000837188 /nfs/dbraw/zinc/83/71/88/1000837188.db2.gz MYLNFKKJDXXTKA-FQEVSTJZSA-N 1 2 405.429 3.656 20 30 HHEDLO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505933335 1001110497 /nfs/dbraw/zinc/11/04/97/1001110497.db2.gz HYPPOCPDBCPHLK-RBUKOAKNSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505933335 1001110504 /nfs/dbraw/zinc/11/05/04/1001110504.db2.gz HYPPOCPDBCPHLK-RBUKOAKNSA-N 1 2 404.297 3.575 20 30 HHEDLO CCc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000506009892 1001160334 /nfs/dbraw/zinc/16/03/34/1001160334.db2.gz OFABELRIVVXRIP-UHFFFAOYSA-N 1 2 420.557 3.688 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000497407320 1001343310 /nfs/dbraw/zinc/34/33/10/1001343310.db2.gz LJOZYDZPBIRVDO-QGZVFWFLSA-N 1 2 403.592 3.778 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000497407320 1001343314 /nfs/dbraw/zinc/34/33/14/1001343314.db2.gz LJOZYDZPBIRVDO-QGZVFWFLSA-N 1 2 403.592 3.778 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000506859693 1001569589 /nfs/dbraw/zinc/56/95/89/1001569589.db2.gz XREYQVUFXWFYNR-IBGZPJMESA-N 1 2 406.530 3.683 20 30 HHEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000507116403 1001818474 /nfs/dbraw/zinc/81/84/74/1001818474.db2.gz QBOZNQRXTQLUKG-OAQYLSRUSA-N 1 2 424.451 3.615 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507185616 1001875043 /nfs/dbraw/zinc/87/50/43/1001875043.db2.gz ZVAJWYVZUGLIPI-LJQANCHMSA-N 1 2 408.521 3.645 20 30 HHEDLO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnn1-c1ccc(C)cc1 ZINC000507396065 1002047442 /nfs/dbraw/zinc/04/74/42/1002047442.db2.gz BFMLIDSBZHFEDC-VGOFRKELSA-N 1 2 414.513 3.602 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499248170 1002644277 /nfs/dbraw/zinc/64/42/77/1002644277.db2.gz ZUEBKFNAJWLKFE-SIKLNZKXSA-N 1 2 419.468 3.830 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499248170 1002644284 /nfs/dbraw/zinc/64/42/84/1002644284.db2.gz ZUEBKFNAJWLKFE-SIKLNZKXSA-N 1 2 419.468 3.830 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000508442410 1002929410 /nfs/dbraw/zinc/92/94/10/1002929410.db2.gz BYKVTDLVEBBXAT-OAQYLSRUSA-N 1 2 423.557 3.684 20 30 HHEDLO C=CCn1c(Cc2ccsc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508481163 1002965375 /nfs/dbraw/zinc/96/53/75/1002965375.db2.gz NVSUTWMAGMQLAI-UHFFFAOYSA-N 1 2 423.590 3.665 20 30 HHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000508680544 1003118265 /nfs/dbraw/zinc/11/82/65/1003118265.db2.gz PSFZRGHDNYPLSV-UHFFFAOYSA-N 1 2 416.525 3.737 20 30 HHEDLO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508930465 1003376443 /nfs/dbraw/zinc/37/64/43/1003376443.db2.gz FBSWDSDAKMZCPU-UHFFFAOYSA-N 1 2 409.559 3.980 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000509137699 1003579617 /nfs/dbraw/zinc/57/96/17/1003579617.db2.gz MBIUSVJWKMLSTH-UHFFFAOYSA-N 1 2 410.319 3.681 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000509137699 1003579622 /nfs/dbraw/zinc/57/96/22/1003579622.db2.gz MBIUSVJWKMLSTH-UHFFFAOYSA-N 1 2 410.319 3.681 20 30 HHEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000509423880 1003851510 /nfs/dbraw/zinc/85/15/10/1003851510.db2.gz OKRCATDZZJEECF-JOCHJYFZSA-N 1 2 419.916 3.607 20 30 HHEDLO CCc1noc(C)c1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501047985 1004149246 /nfs/dbraw/zinc/14/92/46/1004149246.db2.gz GAQDLOQHSYPHHW-LJQANCHMSA-N 1 2 403.324 3.690 20 30 HHEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000501422640 1004411520 /nfs/dbraw/zinc/41/15/20/1004411520.db2.gz DSWUBMASCHRJEG-QGZVFWFLSA-N 1 2 413.275 3.536 20 30 HHEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000501422640 1004411527 /nfs/dbraw/zinc/41/15/27/1004411527.db2.gz DSWUBMASCHRJEG-QGZVFWFLSA-N 1 2 413.275 3.536 20 30 HHEDLO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512660647 1004471319 /nfs/dbraw/zinc/47/13/19/1004471319.db2.gz OGAOXSUTYCYDBR-INIZCTEOSA-N 1 2 401.507 3.723 20 30 HHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000512691184 1004497511 /nfs/dbraw/zinc/49/75/11/1004497511.db2.gz RWKDORCJRAIMLA-WYNBGMTASA-N 1 2 404.514 3.532 20 30 HHEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)n1 ZINC000510417798 1004551728 /nfs/dbraw/zinc/55/17/28/1004551728.db2.gz RICWJDFSXAEGKU-HNNXBMFYSA-N 1 2 413.547 3.622 20 30 HHEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000510432964 1004563093 /nfs/dbraw/zinc/56/30/93/1004563093.db2.gz VMPNOOVQUCATHK-GOSISDBHSA-N 1 2 415.902 3.614 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)CC2)c(F)c1 ZINC000512811486 1004574078 /nfs/dbraw/zinc/57/40/78/1004574078.db2.gz HACHFMFQKXSNHG-OAQYLSRUSA-N 1 2 411.452 3.875 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512816985 1004577417 /nfs/dbraw/zinc/57/74/17/1004577417.db2.gz JSTKKGLTHNJPJQ-MRXNPFEDSA-N 1 2 408.493 3.981 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512816985 1004577424 /nfs/dbraw/zinc/57/74/24/1004577424.db2.gz JSTKKGLTHNJPJQ-MRXNPFEDSA-N 1 2 408.493 3.981 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512829785 1004587863 /nfs/dbraw/zinc/58/78/63/1004587863.db2.gz XQDFQTVOHSGILX-SFHVURJKSA-N 1 2 416.472 3.525 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512829785 1004587868 /nfs/dbraw/zinc/58/78/68/1004587868.db2.gz XQDFQTVOHSGILX-SFHVURJKSA-N 1 2 416.472 3.525 20 30 HHEDLO CCCCn1c(SCC(=O)N(C)C2(C#N)CCCCC2)nnc1[C@H](CC)[NH+](C)C ZINC000501758661 1004689880 /nfs/dbraw/zinc/68/98/80/1004689880.db2.gz VMJNELTUOLGFMI-KRWDZBQOSA-N 1 2 420.627 3.868 20 30 HHEDLO N#Cc1c(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cn2ccccc12 ZINC000510568760 1004712982 /nfs/dbraw/zinc/71/29/82/1004712982.db2.gz HEAVVLRDAXSVKJ-JOCHJYFZSA-N 1 2 400.526 3.914 20 30 HHEDLO N#Cc1c(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cn2ccccc12 ZINC000510568760 1004712987 /nfs/dbraw/zinc/71/29/87/1004712987.db2.gz HEAVVLRDAXSVKJ-JOCHJYFZSA-N 1 2 400.526 3.914 20 30 HHEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000511182972 1005062626 /nfs/dbraw/zinc/06/26/26/1005062626.db2.gz BTAGDPTVWQXDKN-UHFFFAOYSA-N 1 2 413.319 3.979 20 30 HHEDLO Cn1ccnc1[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000513661298 1005071304 /nfs/dbraw/zinc/07/13/04/1005071304.db2.gz NQFRQLXPJRZQJK-HXUWFJFHSA-N 1 2 407.499 3.812 20 30 HHEDLO N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)c1 ZINC000511241861 1005087491 /nfs/dbraw/zinc/08/74/91/1005087491.db2.gz QRWRGTNEQBEOTF-UHFFFAOYSA-N 1 2 415.497 3.556 20 30 HHEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548068 1005113337 /nfs/dbraw/zinc/11/33/37/1005113337.db2.gz HPHUDFGOBLAHEH-MRXNPFEDSA-N 1 2 418.497 3.642 20 30 HHEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548068 1005113340 /nfs/dbraw/zinc/11/33/40/1005113340.db2.gz HPHUDFGOBLAHEH-MRXNPFEDSA-N 1 2 418.497 3.642 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c1 ZINC000513784543 1005125072 /nfs/dbraw/zinc/12/50/72/1005125072.db2.gz TZOIRHFNLVPKBC-DEOSSOPVSA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c1 ZINC000513784543 1005125076 /nfs/dbraw/zinc/12/50/76/1005125076.db2.gz TZOIRHFNLVPKBC-DEOSSOPVSA-N 1 2 402.519 3.980 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)c1C ZINC000502744297 1005198587 /nfs/dbraw/zinc/19/85/87/1005198587.db2.gz QPXKDCDFWCSCBR-UHFFFAOYSA-N 1 2 408.521 3.507 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c(OC)c1 ZINC000513989633 1005216423 /nfs/dbraw/zinc/21/64/23/1005216423.db2.gz MYSHSSHZGBFBOX-IBGZPJMESA-N 1 2 400.906 3.629 20 30 HHEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc(OCCCC#N)c1 ZINC000514089436 1005260763 /nfs/dbraw/zinc/26/07/63/1005260763.db2.gz QBQDWHHKSDYEBV-UHFFFAOYSA-N 1 2 417.307 3.597 20 30 HHEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc(OCCCC#N)c1 ZINC000514089436 1005260768 /nfs/dbraw/zinc/26/07/68/1005260768.db2.gz QBQDWHHKSDYEBV-UHFFFAOYSA-N 1 2 417.307 3.597 20 30 HHEDLO N#Cc1cccc(COc2cccc(CNc3cccc(CN4CCOCC4)[nH+]3)c2)c1 ZINC000503267423 1005380599 /nfs/dbraw/zinc/38/05/99/1005380599.db2.gz KRDQSLAZFLQDRM-UHFFFAOYSA-N 1 2 414.509 3.977 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503381698 1005403696 /nfs/dbraw/zinc/40/36/96/1005403696.db2.gz DZJYXCPDTFVSLE-UHFFFAOYSA-N 1 2 406.555 3.768 20 30 HHEDLO C=CCOc1cc(OC)ccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000504215079 1005574787 /nfs/dbraw/zinc/57/47/87/1005574787.db2.gz GBEZWDPSRSVSMG-OAQYLSRUSA-N 1 2 407.470 3.884 20 30 HHEDLO C=CCOc1cc(OC)ccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000504215079 1005574790 /nfs/dbraw/zinc/57/47/90/1005574790.db2.gz GBEZWDPSRSVSMG-OAQYLSRUSA-N 1 2 407.470 3.884 20 30 HHEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514839000 1006166971 /nfs/dbraw/zinc/16/69/71/1006166971.db2.gz UZTHQWLGGMCRAR-OAQYLSRUSA-N 1 2 408.477 3.542 20 30 HHEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514839000 1006166977 /nfs/dbraw/zinc/16/69/77/1006166977.db2.gz UZTHQWLGGMCRAR-OAQYLSRUSA-N 1 2 408.477 3.542 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000514969095 1006224970 /nfs/dbraw/zinc/22/49/70/1006224970.db2.gz SOFAHRZGAIOTEH-OAQYLSRUSA-N 1 2 404.558 3.502 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000514969095 1006224980 /nfs/dbraw/zinc/22/49/80/1006224980.db2.gz SOFAHRZGAIOTEH-OAQYLSRUSA-N 1 2 404.558 3.502 20 30 HHEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534514639 1006510288 /nfs/dbraw/zinc/51/02/88/1006510288.db2.gz IIYSVFPNKIIEBJ-UHFFFAOYSA-N 1 2 412.493 3.755 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000534664185 1006641602 /nfs/dbraw/zinc/64/16/02/1006641602.db2.gz HJAPSAJMPMRNHQ-IBGZPJMESA-N 1 2 401.413 3.562 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000534664185 1006641610 /nfs/dbraw/zinc/64/16/10/1006641610.db2.gz HJAPSAJMPMRNHQ-IBGZPJMESA-N 1 2 401.413 3.562 20 30 HHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000532351567 1006812442 /nfs/dbraw/zinc/81/24/42/1006812442.db2.gz BNGWBPZUPCWBSF-BVZFJXPGSA-N 1 2 421.541 3.659 20 30 HHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000532351567 1006812454 /nfs/dbraw/zinc/81/24/54/1006812454.db2.gz BNGWBPZUPCWBSF-BVZFJXPGSA-N 1 2 421.541 3.659 20 30 HHEDLO C=CC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)Cc1ccccc1F ZINC000532493311 1006935854 /nfs/dbraw/zinc/93/58/54/1006935854.db2.gz KFYOVQLOBJJZOF-UHFFFAOYSA-N 1 2 402.267 3.784 20 30 HHEDLO C=CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)Cc1ccccc1F ZINC000532493311 1006935865 /nfs/dbraw/zinc/93/58/65/1006935865.db2.gz KFYOVQLOBJJZOF-UHFFFAOYSA-N 1 2 402.267 3.784 20 30 HHEDLO CC1CCC(OC2CC[NH+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)CC1 ZINC000532552854 1006983626 /nfs/dbraw/zinc/98/36/26/1006983626.db2.gz QJCVBUJXSGNKJS-UHFFFAOYSA-N 1 2 421.545 3.742 20 30 HHEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000538717964 1006991070 /nfs/dbraw/zinc/99/10/70/1006991070.db2.gz LKNXRANGSZXVSB-NRFANRHFSA-N 1 2 421.541 3.789 20 30 HHEDLO COCC[N@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000532944732 1007315824 /nfs/dbraw/zinc/31/58/24/1007315824.db2.gz XLYUMAYVPUXUDA-GOSISDBHSA-N 1 2 405.498 3.972 20 30 HHEDLO COCC[N@@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000532944732 1007315839 /nfs/dbraw/zinc/31/58/39/1007315839.db2.gz XLYUMAYVPUXUDA-GOSISDBHSA-N 1 2 405.498 3.972 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000532961508 1007329887 /nfs/dbraw/zinc/32/98/87/1007329887.db2.gz POFMGXRPPKQJAL-LJQANCHMSA-N 1 2 417.619 3.766 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000532961508 1007329898 /nfs/dbraw/zinc/32/98/98/1007329898.db2.gz POFMGXRPPKQJAL-LJQANCHMSA-N 1 2 417.619 3.766 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533287351 1007598565 /nfs/dbraw/zinc/59/85/65/1007598565.db2.gz BSHHDRZQNNABQL-HNNXBMFYSA-N 1 2 408.889 3.954 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000533426002 1007735101 /nfs/dbraw/zinc/73/51/01/1007735101.db2.gz BFJKFRFCOFASHZ-IRXDYDNUSA-N 1 2 414.550 3.928 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000533426002 1007735111 /nfs/dbraw/zinc/73/51/11/1007735111.db2.gz BFJKFRFCOFASHZ-IRXDYDNUSA-N 1 2 414.550 3.928 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000533426003 1007735651 /nfs/dbraw/zinc/73/56/51/1007735651.db2.gz BFJKFRFCOFASHZ-SJORKVTESA-N 1 2 414.550 3.928 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000533426003 1007735660 /nfs/dbraw/zinc/73/56/60/1007735660.db2.gz BFJKFRFCOFASHZ-SJORKVTESA-N 1 2 414.550 3.928 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000533481018 1007789767 /nfs/dbraw/zinc/78/97/67/1007789767.db2.gz MIOBKXFRORYDBF-HNNXBMFYSA-N 1 2 416.953 3.700 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886972 1007906442 /nfs/dbraw/zinc/90/64/42/1007906442.db2.gz BEZVFRDRIFIHEQ-CYFNAFFESA-N 1 2 401.869 3.680 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886972 1007906451 /nfs/dbraw/zinc/90/64/51/1007906451.db2.gz BEZVFRDRIFIHEQ-CYFNAFFESA-N 1 2 401.869 3.680 20 30 HHEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000535966934 1008003118 /nfs/dbraw/zinc/00/31/18/1008003118.db2.gz DWCJMGOQPPHNTG-KRWDZBQOSA-N 1 2 407.489 3.764 20 30 HHEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000535966934 1008003134 /nfs/dbraw/zinc/00/31/34/1008003134.db2.gz DWCJMGOQPPHNTG-KRWDZBQOSA-N 1 2 407.489 3.764 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCn3c4ccccc4nc3C3CC3)CC2)cc1 ZINC000539850556 1008139053 /nfs/dbraw/zinc/13/90/53/1008139053.db2.gz VUOHMXOIVURYDV-UHFFFAOYSA-N 1 2 413.525 3.520 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000518237328 1008220200 /nfs/dbraw/zinc/22/02/00/1008220200.db2.gz IGYQTPSOUNEJQJ-UHFFFAOYSA-N 1 2 424.353 3.808 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540231399 1008345977 /nfs/dbraw/zinc/34/59/77/1008345977.db2.gz ZICXBNDBFKSJOF-RXVVDRJESA-N 1 2 401.869 3.681 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540231399 1008345979 /nfs/dbraw/zinc/34/59/79/1008345979.db2.gz ZICXBNDBFKSJOF-RXVVDRJESA-N 1 2 401.869 3.681 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000540339733 1008388065 /nfs/dbraw/zinc/38/80/65/1008388065.db2.gz XIBANDXXWJEFHT-SJORKVTESA-N 1 2 424.574 3.825 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000540339733 1008388069 /nfs/dbraw/zinc/38/80/69/1008388069.db2.gz XIBANDXXWJEFHT-SJORKVTESA-N 1 2 424.574 3.825 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542964756 1008538269 /nfs/dbraw/zinc/53/82/69/1008538269.db2.gz CIVJRQIRSKONIM-QUCCMNQESA-N 1 2 402.420 3.610 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542964756 1008538283 /nfs/dbraw/zinc/53/82/83/1008538283.db2.gz CIVJRQIRSKONIM-QUCCMNQESA-N 1 2 402.420 3.610 20 30 HHEDLO N#CC1(c2nc(-c3ccc(N4CCN(c5cccc[nH+]5)CC4)nc3)no2)CCCCC1 ZINC000545801838 1008889930 /nfs/dbraw/zinc/88/99/30/1008889930.db2.gz UYDGUIWSKRUXKJ-UHFFFAOYSA-N 1 2 415.501 3.579 20 30 HHEDLO COCCOc1ccc(C#N)cc1NCc1c[nH+]c2c(C)cc(Br)cn12 ZINC000544179132 1009783608 /nfs/dbraw/zinc/78/36/08/1009783608.db2.gz ZYLBOMZNEHJSDU-UHFFFAOYSA-N 1 2 415.291 3.914 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000550303482 1009848400 /nfs/dbraw/zinc/84/84/00/1009848400.db2.gz BVBQSBMXZIAQGK-UHFFFAOYSA-N 1 2 405.527 3.536 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000544421233 1010040269 /nfs/dbraw/zinc/04/02/69/1010040269.db2.gz JUTNSUPPNPCWML-NSHDSACASA-N 1 2 404.396 3.835 20 30 HHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000550598296 1010055800 /nfs/dbraw/zinc/05/58/00/1010055800.db2.gz AFCIXCKSZMQMRP-SPLOXXLWSA-N 1 2 422.916 3.987 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(Cl)c3Cl)CC2)cc1 ZINC000521160467 1010191523 /nfs/dbraw/zinc/19/15/23/1010191523.db2.gz TWXBVKRSOSAVAD-UHFFFAOYSA-N 1 2 403.313 3.892 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000521418555 1010364573 /nfs/dbraw/zinc/36/45/73/1010364573.db2.gz ACVHMOKRBABJQI-RTBURBONSA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000521418555 1010364588 /nfs/dbraw/zinc/36/45/88/1010364588.db2.gz ACVHMOKRBABJQI-RTBURBONSA-N 1 2 402.857 3.544 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(Cl)c(C#N)c3)[nH+]c12 ZINC000545356050 1010748118 /nfs/dbraw/zinc/74/81/18/1010748118.db2.gz DBRWXBSXHNVSNY-UHFFFAOYSA-N 1 2 417.694 3.903 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000522069755 1010789886 /nfs/dbraw/zinc/78/98/86/1010789886.db2.gz FHKQLPFQADSQOX-UHFFFAOYSA-N 1 2 400.482 3.923 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(Cl)cc2)C1 ZINC000540749679 1011403170 /nfs/dbraw/zinc/40/31/70/1011403170.db2.gz MRYNEMYLRDYYQP-RTWAWAEBSA-N 1 2 409.917 3.697 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(Cl)cc2)C1 ZINC000540749679 1011403177 /nfs/dbraw/zinc/40/31/77/1011403177.db2.gz MRYNEMYLRDYYQP-RTWAWAEBSA-N 1 2 409.917 3.697 20 30 HHEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000536323129 1011519711 /nfs/dbraw/zinc/51/97/11/1011519711.db2.gz CNCRWXBEBGKDFJ-WMZOPIPTSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000536323129 1011519724 /nfs/dbraw/zinc/51/97/24/1011519724.db2.gz CNCRWXBEBGKDFJ-WMZOPIPTSA-N 1 2 410.326 3.589 20 30 HHEDLO C=CCc1ccc(OCC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c(OC)c1 ZINC000523144931 1011618843 /nfs/dbraw/zinc/61/88/43/1011618843.db2.gz FYMXNQNXCRMAKW-UHFFFAOYSA-N 1 2 410.514 3.582 20 30 HHEDLO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000541098012 1011744500 /nfs/dbraw/zinc/74/45/00/1011744500.db2.gz FCMHBWTVPUVKHG-KDOFPFPSSA-N 1 2 409.881 3.709 20 30 HHEDLO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000552191689 1012204382 /nfs/dbraw/zinc/20/43/82/1012204382.db2.gz OOPQMTLAOFFYCI-FDDCHVKYSA-N 1 2 402.546 3.642 20 30 HHEDLO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000552191689 1012204398 /nfs/dbraw/zinc/20/43/98/1012204398.db2.gz OOPQMTLAOFFYCI-FDDCHVKYSA-N 1 2 402.546 3.642 20 30 HHEDLO C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000552279234 1012292209 /nfs/dbraw/zinc/29/22/09/1012292209.db2.gz XAUZMPQBXJPYMW-MOPGFXCFSA-N 1 2 422.529 3.562 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523770787 1012407620 /nfs/dbraw/zinc/40/76/20/1012407620.db2.gz CNBKZAZBWWNOBH-INIZCTEOSA-N 1 2 419.510 3.521 20 30 HHEDLO N#CCc1ccc(S(=O)(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c(Cl)c1 ZINC001211961099 1071767550 /nfs/dbraw/zinc/76/75/50/1071767550.db2.gz ZVVYSHCBJFKLCO-UHFFFAOYSA-N 1 2 421.309 3.724 20 30 HHEDLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)c1 ZINC000729674904 1071791094 /nfs/dbraw/zinc/79/10/94/1071791094.db2.gz URADKHDLYCNUBG-UHFFFAOYSA-N 1 2 421.472 3.944 20 30 HHEDLO CC(C)Cc1ccc([C@@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)[NH+](C)C)cc1 ZINC001212066414 1071949889 /nfs/dbraw/zinc/94/98/89/1071949889.db2.gz GLYMWSPOAIEANL-HXUWFJFHSA-N 1 2 421.513 3.616 20 30 HHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000614922485 1071986509 /nfs/dbraw/zinc/98/65/09/1071986509.db2.gz UPRSJASIVKQCIB-KDOFPFPSSA-N 1 2 401.404 3.504 20 30 HHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000614922485 1071986519 /nfs/dbraw/zinc/98/65/19/1071986519.db2.gz UPRSJASIVKQCIB-KDOFPFPSSA-N 1 2 401.404 3.504 20 30 HHEDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000571299858 1072599706 /nfs/dbraw/zinc/59/97/06/1072599706.db2.gz KFFAZGMDGKLVAO-HXUWFJFHSA-N 1 2 402.542 3.766 20 30 HHEDLO Cn1cc([C@H]2C[N@H+](CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2(C)C)cn1 ZINC000590603357 1073958575 /nfs/dbraw/zinc/95/85/75/1073958575.db2.gz RQFJAZGCGBXGRP-GOSISDBHSA-N 1 2 411.575 3.686 20 30 HHEDLO Cn1cc([C@H]2C[N@@H+](CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2(C)C)cn1 ZINC000590603357 1073958578 /nfs/dbraw/zinc/95/85/78/1073958578.db2.gz RQFJAZGCGBXGRP-GOSISDBHSA-N 1 2 411.575 3.686 20 30 HHEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC001670861289 1074082267 /nfs/dbraw/zinc/08/22/67/1074082267.db2.gz XGPXYXRBYOHRBO-GOSISDBHSA-N 1 2 419.497 3.560 20 30 HHEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001670861289 1074082271 /nfs/dbraw/zinc/08/22/71/1074082271.db2.gz XGPXYXRBYOHRBO-GOSISDBHSA-N 1 2 419.497 3.560 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccc(Br)cc4)CC3)CC2)cc1 ZINC000592373271 1074729169 /nfs/dbraw/zinc/72/91/69/1074729169.db2.gz MUSOQIHAVVFPMU-UHFFFAOYSA-N 1 2 424.342 3.697 20 30 HHEDLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N(CC)CCC#N)c2c1C ZINC001165047924 721987550 /nfs/dbraw/zinc/98/75/50/721987550.db2.gz FUZQJYPYNDECDZ-UHFFFAOYSA-N 1 2 415.563 3.902 20 30 HHEDLO N#Cc1cc(Br)ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000302183821 971200697 /nfs/dbraw/zinc/20/06/97/971200697.db2.gz OQFWZXMKUDHDGV-UHFFFAOYSA-N 1 2 416.319 3.644 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000302737736 971296439 /nfs/dbraw/zinc/29/64/39/971296439.db2.gz GGKUEVBJJOTTLL-HSZRJFAPSA-N 1 2 412.555 3.913 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000302737736 971296444 /nfs/dbraw/zinc/29/64/44/971296444.db2.gz GGKUEVBJJOTTLL-HSZRJFAPSA-N 1 2 412.555 3.913 20 30 HHEDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000303399930 971682409 /nfs/dbraw/zinc/68/24/09/971682409.db2.gz QQCJABVBRKNQIZ-ROUUACIJSA-N 1 2 416.591 3.504 20 30 HHEDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000303399930 971682414 /nfs/dbraw/zinc/68/24/14/971682414.db2.gz QQCJABVBRKNQIZ-ROUUACIJSA-N 1 2 416.591 3.504 20 30 HHEDLO CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1C#N ZINC000553165758 1013125061 /nfs/dbraw/zinc/12/50/61/1013125061.db2.gz YREPOQXGEYGULB-UHFFFAOYSA-N 1 2 403.511 3.727 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000009956737 961720611 /nfs/dbraw/zinc/72/06/11/961720611.db2.gz UZSDTKDYYGDNRA-UHFFFAOYSA-N 1 2 401.894 3.736 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000009956737 961720619 /nfs/dbraw/zinc/72/06/19/961720619.db2.gz UZSDTKDYYGDNRA-UHFFFAOYSA-N 1 2 401.894 3.736 20 30 HHEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778732 963714670 /nfs/dbraw/zinc/71/46/70/963714670.db2.gz KUQLWYKDMWDTHX-MRXNPFEDSA-N 1 2 416.447 3.722 20 30 HHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000023057711 963761773 /nfs/dbraw/zinc/76/17/73/963761773.db2.gz ROONSKCCYFRQEK-ZWKOTPCHSA-N 1 2 402.970 3.750 20 30 HHEDLO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258775 963790356 /nfs/dbraw/zinc/79/03/56/963790356.db2.gz JIJAUCAIPIHSTJ-UHFFFAOYSA-N 1 2 404.558 3.503 20 30 HHEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258775 963790359 /nfs/dbraw/zinc/79/03/59/963790359.db2.gz JIJAUCAIPIHSTJ-UHFFFAOYSA-N 1 2 404.558 3.503 20 30 HHEDLO CCc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023752169 963884789 /nfs/dbraw/zinc/88/47/89/963884789.db2.gz VHRRSVJQXTZFGP-UHFFFAOYSA-N 1 2 403.526 3.818 20 30 HHEDLO CCc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000023752169 963884794 /nfs/dbraw/zinc/88/47/94/963884794.db2.gz VHRRSVJQXTZFGP-UHFFFAOYSA-N 1 2 403.526 3.818 20 30 HHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CSCc3ccc(C#N)cc3)n2)C1 ZINC000049623934 964184127 /nfs/dbraw/zinc/18/41/27/964184127.db2.gz LEPXEEJQQHFYCK-HNNXBMFYSA-N 1 2 400.573 4.119 20 30 HHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CSCc3ccc(C#N)cc3)n2)C1 ZINC000049623934 964184134 /nfs/dbraw/zinc/18/41/34/964184134.db2.gz LEPXEEJQQHFYCK-HNNXBMFYSA-N 1 2 400.573 4.119 20 30 HHEDLO C=CCc1cc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)cc(OC)c1OC ZINC000051778160 964695996 /nfs/dbraw/zinc/69/59/96/964695996.db2.gz GFIBYERBFXOKJZ-UHFFFAOYSA-N 1 2 415.559 3.521 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000052074323 964799995 /nfs/dbraw/zinc/79/99/95/964799995.db2.gz NQMKMUMZXUQOTK-QGZVFWFLSA-N 1 2 400.498 3.784 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000052074323 964800000 /nfs/dbraw/zinc/80/00/00/964800000.db2.gz NQMKMUMZXUQOTK-QGZVFWFLSA-N 1 2 400.498 3.784 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1I)Cc1ccccc1 ZINC000027775624 964970429 /nfs/dbraw/zinc/97/04/29/964970429.db2.gz HERVPCYQNOWCHB-UHFFFAOYSA-N 1 2 406.267 3.918 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1I)Cc1ccccc1 ZINC000027775624 964970435 /nfs/dbraw/zinc/97/04/35/964970435.db2.gz HERVPCYQNOWCHB-UHFFFAOYSA-N 1 2 406.267 3.918 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccccc1 ZINC000027777213 964970442 /nfs/dbraw/zinc/97/04/42/964970442.db2.gz JOYKNQWJJOISES-LJQANCHMSA-N 1 2 417.431 3.981 20 30 HHEDLO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccccc1 ZINC000027777213 964970449 /nfs/dbraw/zinc/97/04/49/964970449.db2.gz JOYKNQWJJOISES-LJQANCHMSA-N 1 2 417.431 3.981 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N(C)CCCC)CC1 ZINC000053241681 965103339 /nfs/dbraw/zinc/10/33/39/965103339.db2.gz KEDMAJNJXYXTPK-UHFFFAOYSA-N 1 2 403.592 3.874 20 30 HHEDLO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057045375 965262938 /nfs/dbraw/zinc/26/29/38/965262938.db2.gz NYLDUDKNMBFZGT-JOCHJYFZSA-N 1 2 403.526 3.721 20 30 HHEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N(C3CCCCC3)C3CCCCC3)CC2)c1 ZINC000029444565 965381363 /nfs/dbraw/zinc/38/13/63/965381363.db2.gz JJVNKMRYRQRUBC-UHFFFAOYSA-N 1 2 409.578 3.569 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000054390200 965498232 /nfs/dbraw/zinc/49/82/32/965498232.db2.gz RFDTUCWATQRTKB-UHFFFAOYSA-N 1 2 404.514 3.567 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000054390200 965498238 /nfs/dbraw/zinc/49/82/38/965498238.db2.gz RFDTUCWATQRTKB-UHFFFAOYSA-N 1 2 404.514 3.567 20 30 HHEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)C2)n1 ZINC000054676418 965606118 /nfs/dbraw/zinc/60/61/18/965606118.db2.gz CMKWIBIMFNXSGN-KRWDZBQOSA-N 1 2 410.522 3.601 20 30 HHEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)C2)n1 ZINC000054676418 965606126 /nfs/dbraw/zinc/60/61/26/965606126.db2.gz CMKWIBIMFNXSGN-KRWDZBQOSA-N 1 2 410.522 3.601 20 30 HHEDLO COc1cc(OC)cc([C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)c2nccn2C)c1 ZINC000030649057 965754944 /nfs/dbraw/zinc/75/49/44/965754944.db2.gz RMWJTCJWGDZRQC-QHCPKHFHSA-N 1 2 419.529 3.666 20 30 HHEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)sc2C1 ZINC000032488554 966272039 /nfs/dbraw/zinc/27/20/39/966272039.db2.gz SYVOPUGEUGDQHY-UHFFFAOYSA-N 1 2 404.495 3.834 20 30 HHEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)sc2C1 ZINC000032488554 966272045 /nfs/dbraw/zinc/27/20/45/966272045.db2.gz SYVOPUGEUGDQHY-UHFFFAOYSA-N 1 2 404.495 3.834 20 30 HHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063403737 966845994 /nfs/dbraw/zinc/84/59/94/966845994.db2.gz RFMHYRYGJQIEOB-UHFFFAOYSA-N 1 2 409.421 3.817 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)cc1 ZINC000043260191 966937481 /nfs/dbraw/zinc/93/74/81/966937481.db2.gz PKAXXVHHIJVIMW-UHFFFAOYSA-N 1 2 417.282 3.810 20 30 HHEDLO COCC[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccc(C#N)cc1 ZINC000063753929 966947662 /nfs/dbraw/zinc/94/76/62/966947662.db2.gz KESBEZTZSFMAQI-UHFFFAOYSA-N 1 2 405.542 3.635 20 30 HHEDLO COCC[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)Cc1ccc(C#N)cc1 ZINC000063753929 966947668 /nfs/dbraw/zinc/94/76/68/966947668.db2.gz KESBEZTZSFMAQI-UHFFFAOYSA-N 1 2 405.542 3.635 20 30 HHEDLO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1C ZINC000538140006 1013701415 /nfs/dbraw/zinc/70/14/15/1013701415.db2.gz KMYNQWPNZMSZMF-INIZCTEOSA-N 1 2 404.470 3.678 20 30 HHEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632469 967254755 /nfs/dbraw/zinc/25/47/55/967254755.db2.gz AQSYZDZQQXBVPA-UHFFFAOYSA-N 1 2 421.419 3.942 20 30 HHEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000064632469 967254769 /nfs/dbraw/zinc/25/47/69/967254769.db2.gz AQSYZDZQQXBVPA-UHFFFAOYSA-N 1 2 421.419 3.942 20 30 HHEDLO C=CCc1cc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc(OC)c1OC ZINC000065290913 967429886 /nfs/dbraw/zinc/42/98/86/967429886.db2.gz AMEZFLOBGPHECY-UHFFFAOYSA-N 1 2 424.476 3.757 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078714781 969012978 /nfs/dbraw/zinc/01/29/78/969012978.db2.gz BQONFGPRFCUMSS-UYAOXDASSA-N 1 2 424.570 3.961 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078714781 969012985 /nfs/dbraw/zinc/01/29/85/969012985.db2.gz BQONFGPRFCUMSS-UYAOXDASSA-N 1 2 424.570 3.961 20 30 HHEDLO O=C(C[NH2+][C@@H](c1ccccc1)c1ccccn1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000097057466 969085383 /nfs/dbraw/zinc/08/53/83/969085383.db2.gz BTEPSZUHIXTWQP-QHCPKHFHSA-N 1 2 423.438 3.947 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H](C)C(=O)Nc3ccc(C)c(F)c3)c2)n1 ZINC000097571567 969166051 /nfs/dbraw/zinc/16/60/51/969166051.db2.gz IUWZZBHSGVHVRI-QGZVFWFLSA-N 1 2 423.492 3.660 20 30 HHEDLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000105309389 969229923 /nfs/dbraw/zinc/22/99/23/969229923.db2.gz CNRCDJXUZHWPOT-LJQANCHMSA-N 1 2 411.571 3.968 20 30 HHEDLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000105309389 969229932 /nfs/dbraw/zinc/22/99/32/969229932.db2.gz CNRCDJXUZHWPOT-LJQANCHMSA-N 1 2 411.571 3.968 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000106042887 969284018 /nfs/dbraw/zinc/28/40/18/969284018.db2.gz YOSBVDTXJBESOT-UHFFFAOYSA-N 1 2 403.417 3.816 20 30 HHEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000554304685 1013902648 /nfs/dbraw/zinc/90/26/48/1013902648.db2.gz VZKUTLIJULZKPF-AWEZNQCLSA-N 1 2 424.574 3.763 20 30 HHEDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000554304685 1013902651 /nfs/dbraw/zinc/90/26/51/1013902651.db2.gz VZKUTLIJULZKPF-AWEZNQCLSA-N 1 2 424.574 3.763 20 30 HHEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554566062 1013979273 /nfs/dbraw/zinc/97/92/73/1013979273.db2.gz JHZGVVKYCYXHDD-HNNXBMFYSA-N 1 2 402.420 3.985 20 30 HHEDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1-c1cccc(C#N)c1 ZINC000410279830 973800904 /nfs/dbraw/zinc/80/09/04/973800904.db2.gz RRQHHLYVNVNJCZ-LJQANCHMSA-N 1 2 414.513 3.605 20 30 HHEDLO N#Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C(F)(F)F ZINC000410338029 973921376 /nfs/dbraw/zinc/92/13/76/973921376.db2.gz BTOUOYLQOVJVSP-UHFFFAOYSA-N 1 2 410.352 3.703 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426203237 974310210 /nfs/dbraw/zinc/31/02/10/974310210.db2.gz YYGMAPOKFQFNOO-HZPDHXFCSA-N 1 2 403.548 3.540 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426203237 974310218 /nfs/dbraw/zinc/31/02/18/974310218.db2.gz YYGMAPOKFQFNOO-HZPDHXFCSA-N 1 2 403.548 3.540 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000426759405 974638871 /nfs/dbraw/zinc/63/88/71/974638871.db2.gz MSILVGATCMMOPL-IBGZPJMESA-N 1 2 404.576 3.953 20 30 HHEDLO N#C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000428801585 976079799 /nfs/dbraw/zinc/07/97/99/976079799.db2.gz NOQVILSBPNHDAZ-IBGZPJMESA-N 1 2 404.297 3.820 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC000428802464 976080624 /nfs/dbraw/zinc/08/06/24/976080624.db2.gz JQPAIYQGNUNQDL-AWEZNQCLSA-N 1 2 424.245 3.970 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(Br)c3OC(F)F)C2)nc1 ZINC000428802464 976080631 /nfs/dbraw/zinc/08/06/31/976080631.db2.gz JQPAIYQGNUNQDL-AWEZNQCLSA-N 1 2 424.245 3.970 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428811377 976090761 /nfs/dbraw/zinc/09/07/61/976090761.db2.gz ZXKNUWYLNQXFAP-IUODEOHRSA-N 1 2 405.285 3.740 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428811377 976090774 /nfs/dbraw/zinc/09/07/74/976090774.db2.gz ZXKNUWYLNQXFAP-IUODEOHRSA-N 1 2 405.285 3.740 20 30 HHEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000428811540 976091038 /nfs/dbraw/zinc/09/10/38/976091038.db2.gz VODCWJPQYIDJMK-XJKSGUPXSA-N 1 2 419.312 3.591 20 30 HHEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000428811540 976091054 /nfs/dbraw/zinc/09/10/54/976091054.db2.gz VODCWJPQYIDJMK-XJKSGUPXSA-N 1 2 419.312 3.591 20 30 HHEDLO N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000429112760 976394356 /nfs/dbraw/zinc/39/43/56/976394356.db2.gz IFRMOESQVFICGP-FQEVSTJZSA-N 1 2 401.470 3.665 20 30 HHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000432499282 978850492 /nfs/dbraw/zinc/85/04/92/978850492.db2.gz FWJSDKWCBFRRTQ-JXMROGBWSA-N 1 2 416.525 3.525 20 30 HHEDLO N#C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc(Br)c1 ZINC000433371642 979259819 /nfs/dbraw/zinc/25/98/19/979259819.db2.gz MALJEVGCNDHUID-IBGZPJMESA-N 1 2 409.287 3.617 20 30 HHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000433734164 979530092 /nfs/dbraw/zinc/53/00/92/979530092.db2.gz WWRDOOKNPWSACE-BEFAXECRSA-N 1 2 414.962 3.757 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686921 980339779 /nfs/dbraw/zinc/33/97/79/980339779.db2.gz YAGBUTGLYOADGK-HNNXBMFYSA-N 1 2 411.937 3.951 20 30 HHEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000434890178 980473010 /nfs/dbraw/zinc/47/30/10/980473010.db2.gz ZSJNGRHEQIZPSB-QHCPKHFHSA-N 1 2 406.507 3.850 20 30 HHEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OCCCC#N ZINC000434982443 980547582 /nfs/dbraw/zinc/54/75/82/980547582.db2.gz LPYRSYIKOQLDND-QFIPXVFZSA-N 1 2 404.514 3.760 20 30 HHEDLO N#CCCCn1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c2ccccc21 ZINC000435231485 980736894 /nfs/dbraw/zinc/73/68/94/980736894.db2.gz WKUJEGLISBSYGP-UHFFFAOYSA-N 1 2 416.525 3.707 20 30 HHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000435584291 980950188 /nfs/dbraw/zinc/95/01/88/980950188.db2.gz NRYXUOKXRQBLGL-UXHICEINSA-N 1 2 422.891 3.989 20 30 HHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000435584291 980950191 /nfs/dbraw/zinc/95/01/91/980950191.db2.gz NRYXUOKXRQBLGL-UXHICEINSA-N 1 2 422.891 3.989 20 30 HHEDLO Cc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435904593 981084763 /nfs/dbraw/zinc/08/47/63/981084763.db2.gz XPVXFWZMFINACK-AUUYWEPGSA-N 1 2 421.360 3.893 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000437152644 981802078 /nfs/dbraw/zinc/80/20/78/981802078.db2.gz FBLKYHAZJHAZDQ-QGZVFWFLSA-N 1 2 404.392 3.695 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000437152644 981802093 /nfs/dbraw/zinc/80/20/93/981802093.db2.gz FBLKYHAZJHAZDQ-QGZVFWFLSA-N 1 2 404.392 3.695 20 30 HHEDLO N#CCCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C12CC3CC(CC(C3)C1)C2 ZINC000460464088 982258144 /nfs/dbraw/zinc/25/81/44/982258144.db2.gz BHNOBXSEYHVANB-XOTIMPRHSA-N 1 2 407.558 3.598 20 30 HHEDLO N#CCCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C12CC3CC(CC(C3)C1)C2 ZINC000460464088 982258150 /nfs/dbraw/zinc/25/81/50/982258150.db2.gz BHNOBXSEYHVANB-XOTIMPRHSA-N 1 2 407.558 3.598 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437773979 982348369 /nfs/dbraw/zinc/34/83/69/982348369.db2.gz MXVDWEHAMIQOEE-NMLACTOBSA-N 1 2 409.933 3.895 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437773979 982348377 /nfs/dbraw/zinc/34/83/77/982348377.db2.gz MXVDWEHAMIQOEE-NMLACTOBSA-N 1 2 409.933 3.895 20 30 HHEDLO FC(F)(F)Oc1ccc(C#CC[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000438703680 983014100 /nfs/dbraw/zinc/01/41/00/983014100.db2.gz FYRJCYFJYGRPLO-UHFFFAOYSA-N 1 2 418.444 3.764 20 30 HHEDLO Cc1cc(N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000438837594 983106161 /nfs/dbraw/zinc/10/61/61/983106161.db2.gz JCVSIWKVORLWDY-FQEVSTJZSA-N 1 2 406.534 3.785 20 30 HHEDLO CC(C)c1nnc2n1CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)[C@H]2C ZINC000439300175 983352620 /nfs/dbraw/zinc/35/26/20/983352620.db2.gz UDKFCDWQGLYZDV-AWEZNQCLSA-N 1 2 412.563 3.619 20 30 HHEDLO CC(C)c1nnc2n1CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)[C@H]2C ZINC000439300175 983352627 /nfs/dbraw/zinc/35/26/27/983352627.db2.gz UDKFCDWQGLYZDV-AWEZNQCLSA-N 1 2 412.563 3.619 20 30 HHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CCCO1 ZINC000439477170 983424222 /nfs/dbraw/zinc/42/42/22/983424222.db2.gz JSJCHFIFLDNXAI-IBGZPJMESA-N 1 2 406.530 3.667 20 30 HHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CCCO1 ZINC000439477170 983424226 /nfs/dbraw/zinc/42/42/26/983424226.db2.gz JSJCHFIFLDNXAI-IBGZPJMESA-N 1 2 406.530 3.667 20 30 HHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000440059465 983628002 /nfs/dbraw/zinc/62/80/02/983628002.db2.gz FERBBWACRMHHIH-FQEVSTJZSA-N 1 2 423.941 3.853 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440237810 983692294 /nfs/dbraw/zinc/69/22/94/983692294.db2.gz GWQHDILBKIANHB-QPPBQGQZSA-N 1 2 420.557 3.964 20 30 HHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000440607408 983814323 /nfs/dbraw/zinc/81/43/23/983814323.db2.gz ASFIOJPSDXZKMD-DEOSSOPVSA-N 1 2 414.509 3.592 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCC3CCC(C#N)CC3)[nH+]c12 ZINC000441034191 984033866 /nfs/dbraw/zinc/03/38/66/984033866.db2.gz TUISOUBMCXRXSP-UHFFFAOYSA-N 1 2 418.339 3.577 20 30 HHEDLO COCCN(CC1(C#N)CC1)CC1(c2ccccc2)CC[NH+](CC2(C#N)CC2)CC1 ZINC000442888720 985262527 /nfs/dbraw/zinc/26/25/27/985262527.db2.gz HHJIETKIPKWAOV-UHFFFAOYSA-N 1 2 406.574 3.576 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000468077417 985733774 /nfs/dbraw/zinc/73/37/74/985733774.db2.gz JGRJIHMMCCPNAM-CQSZACIVSA-N 1 2 410.381 3.884 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468077417 985733782 /nfs/dbraw/zinc/73/37/82/985733782.db2.gz JGRJIHMMCCPNAM-CQSZACIVSA-N 1 2 410.381 3.884 20 30 HHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000463046370 986005989 /nfs/dbraw/zinc/00/59/89/986005989.db2.gz ZUIVWTWPVRVIPO-LJQANCHMSA-N 1 2 424.570 3.680 20 30 HHEDLO Cc1coc(-c2cccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000468323147 986018636 /nfs/dbraw/zinc/01/86/36/986018636.db2.gz WNJFEHIRYFDXQH-UHFFFAOYSA-N 1 2 401.470 3.871 20 30 HHEDLO Cc1nc(SCC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C#N)c(C)c1C ZINC000463089894 986047179 /nfs/dbraw/zinc/04/71/79/986047179.db2.gz WZGPKYUHFKZXFK-KRWDZBQOSA-N 1 2 414.600 3.938 20 30 HHEDLO Cc1c(C[NH+]2CCSCC2)cccc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000444035062 986231767 /nfs/dbraw/zinc/23/17/67/986231767.db2.gz QKBAMIPSMFFBQS-UHFFFAOYSA-N 1 2 421.975 3.870 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc1Cl ZINC000444035509 986231951 /nfs/dbraw/zinc/23/19/51/986231951.db2.gz WMWZNUWLESXCCV-UHFFFAOYSA-N 1 2 407.948 3.561 20 30 HHEDLO COc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1OCCCC#N ZINC000468547876 986254811 /nfs/dbraw/zinc/25/48/11/986254811.db2.gz LMQCEIGOWHMJAM-QGZVFWFLSA-N 1 2 400.548 3.713 20 30 HHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](c1ccccc1)C2 ZINC000468876629 986583447 /nfs/dbraw/zinc/58/34/47/986583447.db2.gz HRAGTEFCHYAACR-RUZDIDTESA-N 1 2 411.505 3.983 20 30 HHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](c1ccccc1)C2 ZINC000468876629 986583454 /nfs/dbraw/zinc/58/34/54/986583454.db2.gz HRAGTEFCHYAACR-RUZDIDTESA-N 1 2 411.505 3.983 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000469067127 986778818 /nfs/dbraw/zinc/77/88/18/986778818.db2.gz YTZJLPNSBKVRHA-MRXNPFEDSA-N 1 2 413.905 3.797 20 30 HHEDLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469076580 986788535 /nfs/dbraw/zinc/78/85/35/986788535.db2.gz VXRRAJVNWRCZHD-CYBMUJFWSA-N 1 2 411.333 3.595 20 30 HHEDLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469076580 986788546 /nfs/dbraw/zinc/78/85/46/986788546.db2.gz VXRRAJVNWRCZHD-CYBMUJFWSA-N 1 2 411.333 3.595 20 30 HHEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 ZINC000469151023 986874068 /nfs/dbraw/zinc/87/40/68/986874068.db2.gz IKKFKBIXVKBOCJ-SFHVURJKSA-N 1 2 405.376 3.638 20 30 HHEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 ZINC000469151023 986874075 /nfs/dbraw/zinc/87/40/75/986874075.db2.gz IKKFKBIXVKBOCJ-SFHVURJKSA-N 1 2 405.376 3.638 20 30 HHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469505637 987182586 /nfs/dbraw/zinc/18/25/86/987182586.db2.gz WFHBFYQTBSHRFB-CJNGLKHVSA-N 1 2 407.396 3.811 20 30 HHEDLO C[C@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000469505639 987182613 /nfs/dbraw/zinc/18/26/13/987182613.db2.gz WFHBFYQTBSHRFB-XJKSGUPXSA-N 1 2 407.396 3.811 20 30 HHEDLO CC[N@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000470966811 989030505 /nfs/dbraw/zinc/03/05/05/989030505.db2.gz KVNQCOANNHPKEP-MRXNPFEDSA-N 1 2 407.543 3.975 20 30 HHEDLO CC[N@@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000470966811 989030513 /nfs/dbraw/zinc/03/05/13/989030513.db2.gz KVNQCOANNHPKEP-MRXNPFEDSA-N 1 2 407.543 3.975 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000471149764 989263719 /nfs/dbraw/zinc/26/37/19/989263719.db2.gz YELAKTVHBDKSCJ-GOSISDBHSA-N 1 2 424.570 3.957 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000471149764 989263732 /nfs/dbraw/zinc/26/37/32/989263732.db2.gz YELAKTVHBDKSCJ-GOSISDBHSA-N 1 2 424.570 3.957 20 30 HHEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1Cl ZINC000466169911 991361433 /nfs/dbraw/zinc/36/14/33/991361433.db2.gz RXOATVIYKSMUGE-QGZVFWFLSA-N 1 2 412.921 3.506 20 30 HHEDLO CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000467194876 992518353 /nfs/dbraw/zinc/51/83/53/992518353.db2.gz DXBFWXDCEGMJNA-INIZCTEOSA-N 1 2 411.506 3.526 20 30 HHEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000472092634 993142337 /nfs/dbraw/zinc/14/23/37/993142337.db2.gz DICYBSDJEFFHLM-TZIWHRDSSA-N 1 2 424.907 3.814 20 30 HHEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000472092634 993142342 /nfs/dbraw/zinc/14/23/42/993142342.db2.gz DICYBSDJEFFHLM-TZIWHRDSSA-N 1 2 424.907 3.814 20 30 HHEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473227605 994081689 /nfs/dbraw/zinc/08/16/89/994081689.db2.gz RPQXVVVEERIOFK-UHFFFAOYSA-N 1 2 420.472 3.527 20 30 HHEDLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481397306 994229198 /nfs/dbraw/zinc/22/91/98/994229198.db2.gz CLJLKGVKFQJXFC-XCLFUZPHSA-N 1 2 423.517 3.687 20 30 HHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)c1 ZINC000481433180 994267879 /nfs/dbraw/zinc/26/78/79/994267879.db2.gz IKKYGVCGBHOBED-SFHVURJKSA-N 1 2 407.514 3.630 20 30 HHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000473576406 994446591 /nfs/dbraw/zinc/44/65/91/994446591.db2.gz KPDVNMGIWRTSFJ-NRFANRHFSA-N 1 2 405.889 3.548 20 30 HHEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000482524808 995532944 /nfs/dbraw/zinc/53/29/44/995532944.db2.gz IZAPGCCHDAUUOD-FXAWDEMLSA-N 1 2 406.486 3.677 20 30 HHEDLO C[C@@H](CC(=O)c1ccccc1F)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000482582167 995584684 /nfs/dbraw/zinc/58/46/84/995584684.db2.gz SIIYBBRIXVZZPM-SFHVURJKSA-N 1 2 407.489 3.709 20 30 HHEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(-c2cccnc2)n1 ZINC000475357198 996087816 /nfs/dbraw/zinc/08/78/16/996087816.db2.gz YTMCRWATOSWIIV-OAQYLSRUSA-N 1 2 406.921 3.518 20 30 HHEDLO N#Cc1ccc(C(F)(F)F)c(NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000475368046 996094764 /nfs/dbraw/zinc/09/47/64/996094764.db2.gz ZEUZMIPYHOYZSQ-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO COc1cc(Br)c(OCC[NH+]2CCC(C#N)CC2)cc1Br ZINC000475523474 996200146 /nfs/dbraw/zinc/20/01/46/996200146.db2.gz DBEPQIWIMJGLTK-UHFFFAOYSA-N 1 2 418.129 3.835 20 30 HHEDLO COc1ccc(F)c(N2CC[NH+](Cc3ccc(OC)c(OCCCC#N)c3)CC2)c1 ZINC000483632072 996297604 /nfs/dbraw/zinc/29/76/04/996297604.db2.gz CLDADXGLXDFORJ-UHFFFAOYSA-N 1 2 413.493 3.848 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000475736214 996335362 /nfs/dbraw/zinc/33/53/62/996335362.db2.gz VYDVSYIUSWPVCS-SONOPUAISA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000475736214 996335366 /nfs/dbraw/zinc/33/53/66/996335366.db2.gz VYDVSYIUSWPVCS-SONOPUAISA-N 1 2 411.571 3.981 20 30 HHEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000484556116 996888134 /nfs/dbraw/zinc/88/81/34/996888134.db2.gz LWTSEPXMEWBCOC-LJQANCHMSA-N 1 2 407.470 3.838 20 30 HHEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000484556116 996888143 /nfs/dbraw/zinc/88/81/43/996888143.db2.gz LWTSEPXMEWBCOC-LJQANCHMSA-N 1 2 407.470 3.838 20 30 HHEDLO C=CCSc1ccccc1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000485466746 997912796 /nfs/dbraw/zinc/91/27/96/997912796.db2.gz PUUIPWDMNYZBRV-UHFFFAOYSA-N 1 2 412.555 3.606 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485718134 998187105 /nfs/dbraw/zinc/18/71/05/998187105.db2.gz CWSZFWMKZHGGEP-BVSLBCMMSA-N 1 2 413.468 3.801 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485718134 998187109 /nfs/dbraw/zinc/18/71/09/998187109.db2.gz CWSZFWMKZHGGEP-BVSLBCMMSA-N 1 2 413.468 3.801 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)sc2c1CCCC2 ZINC000486142038 998590693 /nfs/dbraw/zinc/59/06/93/998590693.db2.gz DRPOUGIKIFSZPN-IBGZPJMESA-N 1 2 411.527 3.606 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)sc2c1CCCC2 ZINC000486142038 998590703 /nfs/dbraw/zinc/59/07/03/998590703.db2.gz DRPOUGIKIFSZPN-IBGZPJMESA-N 1 2 411.527 3.606 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000478306930 998877233 /nfs/dbraw/zinc/87/72/33/998877233.db2.gz JDCPFJFTIHZYHC-XMMPIXPASA-N 1 2 419.504 3.802 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 ZINC000488375486 999464162 /nfs/dbraw/zinc/46/41/62/999464162.db2.gz RBZSDSVXMFRLIF-OAQYLSRUSA-N 1 2 422.529 3.564 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 ZINC000488375486 999464171 /nfs/dbraw/zinc/46/41/71/999464171.db2.gz RBZSDSVXMFRLIF-OAQYLSRUSA-N 1 2 422.529 3.564 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1 ZINC000488461120 999493870 /nfs/dbraw/zinc/49/38/70/999493870.db2.gz IDRRXZZUEXZHOV-GOSISDBHSA-N 1 2 412.465 3.722 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1 ZINC000488461120 999493875 /nfs/dbraw/zinc/49/38/75/999493875.db2.gz IDRRXZZUEXZHOV-GOSISDBHSA-N 1 2 412.465 3.722 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488978784 999663051 /nfs/dbraw/zinc/66/30/51/999663051.db2.gz JWCZXTHBFBGIIA-QFBILLFUSA-N 1 2 414.456 3.538 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488978784 999663055 /nfs/dbraw/zinc/66/30/55/999663055.db2.gz JWCZXTHBFBGIIA-QFBILLFUSA-N 1 2 414.456 3.538 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000480295478 999764854 /nfs/dbraw/zinc/76/48/54/999764854.db2.gz WKPGSWZFURBYKR-IBGZPJMESA-N 1 2 422.529 3.712 20 30 HHEDLO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490023209 999879758 /nfs/dbraw/zinc/87/97/58/999879758.db2.gz AQPIESNDAYLRBO-HXUWFJFHSA-N 1 2 406.530 3.981 20 30 HHEDLO CCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490023209 999879759 /nfs/dbraw/zinc/87/97/59/999879759.db2.gz AQPIESNDAYLRBO-HXUWFJFHSA-N 1 2 406.530 3.981 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)c(OC(F)F)cc3F)CC2)cc1 ZINC000491247421 1000058539 /nfs/dbraw/zinc/05/85/39/1000058539.db2.gz OPDFSYICLIJFNA-UHFFFAOYSA-N 1 2 422.382 3.788 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1C#N ZINC000494705385 1000613102 /nfs/dbraw/zinc/61/31/02/1000613102.db2.gz YWATUZPCDBBOSJ-JOCHJYFZSA-N 1 2 420.557 3.854 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1C#N ZINC000494705385 1000613106 /nfs/dbraw/zinc/61/31/06/1000613106.db2.gz YWATUZPCDBBOSJ-JOCHJYFZSA-N 1 2 420.557 3.854 20 30 HHEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)cc2)nc1 ZINC000505453326 1000783413 /nfs/dbraw/zinc/78/34/13/1000783413.db2.gz LFEKDEXBDSJVMT-OAQYLSRUSA-N 1 2 402.429 3.671 20 30 HHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)c1 ZINC000505494941 1000822715 /nfs/dbraw/zinc/82/27/15/1000822715.db2.gz OUKSUJMPZIBKEQ-NTKDMRAZSA-N 1 2 421.541 3.876 20 30 HHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H](C)O1 ZINC000495086833 1000827068 /nfs/dbraw/zinc/82/70/68/1000827068.db2.gz JHLGELFRHZTDSS-ROUUACIJSA-N 1 2 415.497 3.605 20 30 HHEDLO Cc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)nn1-c1cccc(C#N)c1 ZINC000505736366 1000999221 /nfs/dbraw/zinc/99/92/21/1000999221.db2.gz OXBXJHCWNHATDP-HNNXBMFYSA-N 1 2 420.542 3.993 20 30 HHEDLO Cc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)nn1-c1cccc(C#N)c1 ZINC000505736366 1000999226 /nfs/dbraw/zinc/99/92/26/1000999226.db2.gz OXBXJHCWNHATDP-HNNXBMFYSA-N 1 2 420.542 3.993 20 30 HHEDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000506011494 1001160985 /nfs/dbraw/zinc/16/09/85/1001160985.db2.gz CLZJWNCENKILRZ-UHFFFAOYSA-N 1 2 420.557 3.742 20 30 HHEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000506052260 1001193121 /nfs/dbraw/zinc/19/31/21/1001193121.db2.gz RSBJXUXHGMQUBW-AWEZNQCLSA-N 1 2 413.440 3.683 20 30 HHEDLO N#Cc1cccc(C2(NC(=O)N[C@H]3CCC[N@@H+](Cc4c(F)cccc4F)C3)CC2)c1 ZINC000496653095 1001211223 /nfs/dbraw/zinc/21/12/23/1001211223.db2.gz VLEUCCMYWYVBHS-SFHVURJKSA-N 1 2 410.468 3.789 20 30 HHEDLO N#Cc1cccc(C2(NC(=O)N[C@H]3CCC[N@H+](Cc4c(F)cccc4F)C3)CC2)c1 ZINC000496653095 1001211226 /nfs/dbraw/zinc/21/12/26/1001211226.db2.gz VLEUCCMYWYVBHS-SFHVURJKSA-N 1 2 410.468 3.789 20 30 HHEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1OCCCC#N ZINC000506100184 1001219616 /nfs/dbraw/zinc/21/96/16/1001219616.db2.gz VEMHOYGUVNRDEB-UHFFFAOYSA-N 1 2 404.514 3.567 20 30 HHEDLO CC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594251 1001451317 /nfs/dbraw/zinc/45/13/17/1001451317.db2.gz TYBNZHWWFSETOO-ZDUSSCGKSA-N 1 2 410.499 3.534 20 30 HHEDLO CC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594251 1001451320 /nfs/dbraw/zinc/45/13/20/1001451320.db2.gz TYBNZHWWFSETOO-ZDUSSCGKSA-N 1 2 410.499 3.534 20 30 HHEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000506691253 1001495408 /nfs/dbraw/zinc/49/54/08/1001495408.db2.gz WHAADLGLKKPCSR-OAQYLSRUSA-N 1 2 412.515 3.907 20 30 HHEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1OC ZINC000506746008 1001512238 /nfs/dbraw/zinc/51/22/38/1001512238.db2.gz BHBGNJVKFDOHEM-UHFFFAOYSA-N 1 2 404.894 3.993 20 30 HHEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc1OC ZINC000506746008 1001512241 /nfs/dbraw/zinc/51/22/41/1001512241.db2.gz BHBGNJVKFDOHEM-UHFFFAOYSA-N 1 2 404.894 3.993 20 30 HHEDLO COC(=O)c1cc(C(C)C)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506836075 1001557818 /nfs/dbraw/zinc/55/78/18/1001557818.db2.gz AJQOWKVQSQNUJG-UHFFFAOYSA-N 1 2 420.513 3.818 20 30 HHEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1C#N ZINC000498562678 1001978341 /nfs/dbraw/zinc/97/83/41/1001978341.db2.gz WLAXBCSBONJEAO-UHFFFAOYSA-N 1 2 424.501 3.609 20 30 HHEDLO N#Cc1ccsc1N1CC[C@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1=O ZINC000507604451 1002211001 /nfs/dbraw/zinc/21/10/01/1002211001.db2.gz LCIYOMABBMMQIT-IBGZPJMESA-N 1 2 401.495 3.752 20 30 HHEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507817769 1002364062 /nfs/dbraw/zinc/36/40/62/1002364062.db2.gz GNQLBOPJAHNCNS-KRWDZBQOSA-N 1 2 407.539 3.929 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)C1 ZINC000499171007 1002557560 /nfs/dbraw/zinc/55/75/60/1002557560.db2.gz QWOQJWJXMCQECV-RTWAWAEBSA-N 1 2 424.932 3.572 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)C1 ZINC000499171007 1002557582 /nfs/dbraw/zinc/55/75/82/1002557582.db2.gz QWOQJWJXMCQECV-RTWAWAEBSA-N 1 2 424.932 3.572 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OC ZINC000508667848 1003107976 /nfs/dbraw/zinc/10/79/76/1003107976.db2.gz VHEIPRWOFJGRNK-UHFFFAOYSA-N 1 2 408.458 3.536 20 30 HHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000508684057 1003121947 /nfs/dbraw/zinc/12/19/47/1003121947.db2.gz UHKIHBZXGAEQSL-OAQYLSRUSA-N 1 2 422.483 3.905 20 30 HHEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000508831736 1003253442 /nfs/dbraw/zinc/25/34/42/1003253442.db2.gz GKJNRALFMVXIKY-HNNXBMFYSA-N 1 2 416.367 3.987 20 30 HHEDLO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000508918625 1003357432 /nfs/dbraw/zinc/35/74/32/1003357432.db2.gz NMCOIFKMYXVSMU-OAQYLSRUSA-N 1 2 406.534 3.625 20 30 HHEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500127696 1003489091 /nfs/dbraw/zinc/48/90/91/1003489091.db2.gz WRMVBJRCYIRZFJ-SFHVURJKSA-N 1 2 415.431 3.900 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000512212666 1004113869 /nfs/dbraw/zinc/11/38/69/1004113869.db2.gz OBDOFXRAMPNXIR-LJQANCHMSA-N 1 2 408.420 3.974 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000512212666 1004113873 /nfs/dbraw/zinc/11/38/73/1004113873.db2.gz OBDOFXRAMPNXIR-LJQANCHMSA-N 1 2 408.420 3.974 20 30 HHEDLO C[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[NH+]1CCCCCC1 ZINC000509811552 1004115886 /nfs/dbraw/zinc/11/58/86/1004115886.db2.gz VIJRJRPZDJZMOG-CQSZACIVSA-N 1 2 401.561 3.905 20 30 HHEDLO CC(C)(C#N)CC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000501180424 1004259851 /nfs/dbraw/zinc/25/98/51/1004259851.db2.gz HOGMRCJUAIPMIP-UHFFFAOYSA-N 1 2 405.542 3.877 20 30 HHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000512443470 1004305153 /nfs/dbraw/zinc/30/51/53/1004305153.db2.gz CNSRZSZINPFLRC-UHFFFAOYSA-N 1 2 412.472 3.753 20 30 HHEDLO N#Cc1cc(S(=O)(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)ccc1Cl ZINC000510371453 1004516982 /nfs/dbraw/zinc/51/69/82/1004516982.db2.gz AYADUODGJDGGHF-IBGZPJMESA-N 1 2 415.902 3.614 20 30 HHEDLO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512811876 1004573785 /nfs/dbraw/zinc/57/37/85/1004573785.db2.gz MIMGGXWAELFOMB-UHFFFAOYSA-N 1 2 421.925 3.914 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)CC2)c(F)c1 ZINC000512811485 1004574224 /nfs/dbraw/zinc/57/42/24/1004574224.db2.gz HACHFMFQKXSNHG-NRFANRHFSA-N 1 2 411.452 3.875 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC2)c(F)c1 ZINC000512844930 1004607048 /nfs/dbraw/zinc/60/70/48/1004607048.db2.gz QCOKADACQUKRRV-UHFFFAOYSA-N 1 2 419.403 3.781 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CC(n3cc(-c4ccc(OCC)cc4)nn3)C2)cc1OC ZINC000501701056 1004620186 /nfs/dbraw/zinc/62/01/86/1004620186.db2.gz AKYPJZCODREFAA-UHFFFAOYSA-N 1 2 420.513 3.974 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC([C@H](F)c3ccccc3F)CC2)c1 ZINC000511123138 1005030562 /nfs/dbraw/zinc/03/05/62/1005030562.db2.gz PQIKPRXIJPKOOC-NRFANRHFSA-N 1 2 404.482 3.894 20 30 HHEDLO N#Cc1cccc(F)c1CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000511183582 1005063209 /nfs/dbraw/zinc/06/32/09/1005063209.db2.gz KUHOTWHWJVLRIM-UHFFFAOYSA-N 1 2 402.433 3.515 20 30 HHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)c1 ZINC000511191761 1005067662 /nfs/dbraw/zinc/06/76/62/1005067662.db2.gz JBIWNNGKZQWBQW-KRWDZBQOSA-N 1 2 407.489 3.643 20 30 HHEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528435 1005104148 /nfs/dbraw/zinc/10/41/48/1005104148.db2.gz BZBRROBFGSJJPF-HNNXBMFYSA-N 1 2 406.442 3.591 20 30 HHEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502528435 1005104151 /nfs/dbraw/zinc/10/41/51/1005104151.db2.gz BZBRROBFGSJJPF-HNNXBMFYSA-N 1 2 406.442 3.591 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502534394 1005107159 /nfs/dbraw/zinc/10/71/59/1005107159.db2.gz NBVZUPIUUISBPZ-UHFFFAOYSA-N 1 2 414.509 3.993 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502534394 1005107160 /nfs/dbraw/zinc/10/71/60/1005107160.db2.gz NBVZUPIUUISBPZ-UHFFFAOYSA-N 1 2 414.509 3.993 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000534129195 1006105990 /nfs/dbraw/zinc/10/59/90/1006105990.db2.gz UEEBHWUJRBJJGZ-QZTJIDSGSA-N 1 2 417.575 3.537 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000514969092 1006224891 /nfs/dbraw/zinc/22/48/91/1006224891.db2.gz SOFAHRZGAIOTEH-NRFANRHFSA-N 1 2 404.558 3.502 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000514969092 1006224907 /nfs/dbraw/zinc/22/49/07/1006224907.db2.gz SOFAHRZGAIOTEH-NRFANRHFSA-N 1 2 404.558 3.502 20 30 HHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000531587328 1006289641 /nfs/dbraw/zinc/28/96/41/1006289641.db2.gz LHEACPOJAVGOOT-SFHVURJKSA-N 1 2 419.529 3.697 20 30 HHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000531587328 1006289650 /nfs/dbraw/zinc/28/96/50/1006289650.db2.gz LHEACPOJAVGOOT-SFHVURJKSA-N 1 2 419.529 3.697 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)ccc1Cl ZINC000532351868 1006812525 /nfs/dbraw/zinc/81/25/25/1006812525.db2.gz ZKQHJYMVTMXONA-UHFFFAOYSA-N 1 2 419.953 3.949 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(Nc3ccccn3)CC2)ccc1Cl ZINC000534863859 1006889067 /nfs/dbraw/zinc/88/90/67/1006889067.db2.gz XFIZSIKZJVIJGE-UHFFFAOYSA-N 1 2 411.937 3.867 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)CC2)cc1 ZINC000516272542 1006986695 /nfs/dbraw/zinc/98/66/95/1006986695.db2.gz PNPQYQRERAQBOW-RPWUZVMVSA-N 1 2 418.541 3.553 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000532558503 1006991693 /nfs/dbraw/zinc/99/16/93/1006991693.db2.gz MQIDUVHPHDMYQG-UHFFFAOYSA-N 1 2 423.567 3.894 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000532558503 1006991699 /nfs/dbraw/zinc/99/16/99/1006991699.db2.gz MQIDUVHPHDMYQG-UHFFFAOYSA-N 1 2 423.567 3.894 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CN3CCc4ccccc43)CC2)c(C#N)c1C ZINC000532576084 1007007226 /nfs/dbraw/zinc/00/72/26/1007007226.db2.gz GONZQEVBFGDWCB-QGZVFWFLSA-N 1 2 406.530 3.870 20 30 HHEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3ccc4cc(C#N)ccc4n3)CC2)cs1 ZINC000538978478 1007270830 /nfs/dbraw/zinc/27/08/30/1007270830.db2.gz LFTMRLBJEQLREZ-INIZCTEOSA-N 1 2 407.543 3.983 20 30 HHEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3ccc4cc(C#N)ccc4n3)CC2)cs1 ZINC000538978478 1007270844 /nfs/dbraw/zinc/27/08/44/1007270844.db2.gz LFTMRLBJEQLREZ-INIZCTEOSA-N 1 2 407.543 3.983 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532963506 1007331511 /nfs/dbraw/zinc/33/15/11/1007331511.db2.gz JUIHJZZTVZINPQ-OQFUBPRESA-N 1 2 409.599 3.982 20 30 HHEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532966147 1007332642 /nfs/dbraw/zinc/33/26/42/1007332642.db2.gz FYDJQHBXDGGECZ-UHFFFAOYSA-N 1 2 418.541 3.949 20 30 HHEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533169860 1007509840 /nfs/dbraw/zinc/50/98/40/1007509840.db2.gz IALMXQOKDMZAQN-PMACEKPBSA-N 1 2 400.885 3.938 20 30 HHEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533169860 1007509846 /nfs/dbraw/zinc/50/98/46/1007509846.db2.gz IALMXQOKDMZAQN-PMACEKPBSA-N 1 2 400.885 3.938 20 30 HHEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000533229463 1007552133 /nfs/dbraw/zinc/55/21/33/1007552133.db2.gz VVYCTCXNWQFHDP-INIZCTEOSA-N 1 2 410.543 3.511 20 30 HHEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000533229463 1007552141 /nfs/dbraw/zinc/55/21/41/1007552141.db2.gz VVYCTCXNWQFHDP-INIZCTEOSA-N 1 2 410.543 3.511 20 30 HHEDLO C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533280315 1007592539 /nfs/dbraw/zinc/59/25/39/1007592539.db2.gz NUNILOJQVBTREB-XMMPIXPASA-N 1 2 415.493 3.674 20 30 HHEDLO C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533280315 1007592551 /nfs/dbraw/zinc/59/25/51/1007592551.db2.gz NUNILOJQVBTREB-XMMPIXPASA-N 1 2 415.493 3.674 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c1C#N ZINC000533447642 1007763955 /nfs/dbraw/zinc/76/39/55/1007763955.db2.gz KPMDTODZKHOWMS-UHFFFAOYSA-N 1 2 420.488 3.940 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c1C#N ZINC000533447642 1007763961 /nfs/dbraw/zinc/76/39/61/1007763961.db2.gz KPMDTODZKHOWMS-UHFFFAOYSA-N 1 2 420.488 3.940 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886989 1007906120 /nfs/dbraw/zinc/90/61/20/1007906120.db2.gz BEZVFRDRIFIHEQ-VIZZQPHQSA-N 1 2 401.869 3.680 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886989 1007906127 /nfs/dbraw/zinc/90/61/27/1007906127.db2.gz BEZVFRDRIFIHEQ-VIZZQPHQSA-N 1 2 401.869 3.680 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886986 1007906622 /nfs/dbraw/zinc/90/66/22/1007906622.db2.gz BEZVFRDRIFIHEQ-GMVOTWDCSA-N 1 2 401.869 3.680 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535886986 1007906627 /nfs/dbraw/zinc/90/66/27/1007906627.db2.gz BEZVFRDRIFIHEQ-GMVOTWDCSA-N 1 2 401.869 3.680 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000517807432 1007983560 /nfs/dbraw/zinc/98/35/60/1007983560.db2.gz HZTQZTIAXSCJQY-UHFFFAOYSA-N 1 2 409.490 3.616 20 30 HHEDLO CCc1nsc(N2CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)n1 ZINC000539817659 1008112675 /nfs/dbraw/zinc/11/26/75/1008112675.db2.gz SOAKXEBVEWQHGA-UHFFFAOYSA-N 1 2 419.554 3.873 20 30 HHEDLO Cn1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(-c2cccs2)n1 ZINC000540507150 1008460039 /nfs/dbraw/zinc/46/00/39/1008460039.db2.gz XAJKCQZBRBFPHZ-UHFFFAOYSA-N 1 2 420.498 3.590 20 30 HHEDLO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000549220420 1008790073 /nfs/dbraw/zinc/79/00/73/1008790073.db2.gz YHXHOLUNWCKEMB-UHFFFAOYSA-N 1 2 408.937 3.892 20 30 HHEDLO COc1cc(-c2nnc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)o2)cc(OC)c1OC ZINC000543245158 1008814461 /nfs/dbraw/zinc/81/44/61/1008814461.db2.gz OKGZBRCJLFHBRF-UHFFFAOYSA-N 1 2 420.469 3.799 20 30 HHEDLO COc1cc(-c2nnc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)o2)cc(OC)c1OC ZINC000543245158 1008814482 /nfs/dbraw/zinc/81/44/82/1008814482.db2.gz OKGZBRCJLFHBRF-UHFFFAOYSA-N 1 2 420.469 3.799 20 30 HHEDLO C=C(C)Cn1c(COCC)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000549254340 1008825539 /nfs/dbraw/zinc/82/55/39/1008825539.db2.gz ZVOUXIBCWLMWFY-UHFFFAOYSA-N 1 2 423.483 3.732 20 30 HHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccc(C)o1 ZINC000543486311 1009074731 /nfs/dbraw/zinc/07/47/31/1009074731.db2.gz LFDQCJSBEHHANQ-FQEVSTJZSA-N 1 2 424.476 3.922 20 30 HHEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000543488906 1009078112 /nfs/dbraw/zinc/07/81/12/1009078112.db2.gz ZZGSASVUQXEYPD-QGZVFWFLSA-N 1 2 401.532 3.960 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C4(C#N)CC4)cc3)[nH+]c12 ZINC000546064318 1009088092 /nfs/dbraw/zinc/08/80/92/1009088092.db2.gz WXBBXIQHPLAJOQ-UHFFFAOYSA-N 1 2 423.314 3.933 20 30 HHEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(Br)cc4cccnc43)CC2)n1 ZINC000546213362 1009238169 /nfs/dbraw/zinc/23/81/69/1009238169.db2.gz PWQFXILBXFWQQG-UHFFFAOYSA-N 1 2 408.303 3.586 20 30 HHEDLO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000549691103 1009321293 /nfs/dbraw/zinc/32/12/93/1009321293.db2.gz VJTIHLLVFZWACR-UHFFFAOYSA-N 1 2 408.937 3.892 20 30 HHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000520478724 1009583115 /nfs/dbraw/zinc/58/31/15/1009583115.db2.gz JKBIFAVATGWKRQ-UHFFFAOYSA-N 1 2 406.530 3.511 20 30 HHEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)o1 ZINC000544448768 1010071706 /nfs/dbraw/zinc/07/17/06/1010071706.db2.gz YVDKQPIQQSVHDG-HXUWFJFHSA-N 1 2 424.501 3.689 20 30 HHEDLO N#Cc1ccc(Oc2ccc(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)cc2)nc1 ZINC000521105742 1010125683 /nfs/dbraw/zinc/12/56/83/1010125683.db2.gz XIQBQGXALOGVDM-UHFFFAOYSA-N 1 2 423.476 3.963 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000544515897 1010141031 /nfs/dbraw/zinc/14/10/31/1010141031.db2.gz RGKQFSRLYFMROO-KBPBESRZSA-N 1 2 421.339 3.963 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)C3(c4cccc(C#N)c4)CC3)[nH+]c12 ZINC000544711800 1010320217 /nfs/dbraw/zinc/32/02/17/1010320217.db2.gz OIUZFYLKRBHNLR-UHFFFAOYSA-N 1 2 423.314 3.667 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3cccc(C#N)c3C)[nH+]c12 ZINC000544813117 1010406228 /nfs/dbraw/zinc/40/62/28/1010406228.db2.gz POKIEVSAPWDVEF-UHFFFAOYSA-N 1 2 412.291 3.950 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C#N)c(Cl)c3)[nH+]c12 ZINC000548288180 1010580809 /nfs/dbraw/zinc/58/08/09/1010580809.db2.gz ZFFBKCXUHWQFQX-UHFFFAOYSA-N 1 2 417.694 3.903 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545224486 1010691727 /nfs/dbraw/zinc/69/17/27/1010691727.db2.gz CYJPSCSQBNHTQT-APPDUMDISA-N 1 2 403.832 3.564 20 30 HHEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798684 1010732883 /nfs/dbraw/zinc/73/28/83/1010732883.db2.gz MDPKCUKWGDEDOB-UHFFFAOYSA-N 1 2 417.340 3.904 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865759 1010747783 /nfs/dbraw/zinc/74/77/83/1010747783.db2.gz KQBUMTPTYGLNKM-HNNXBMFYSA-N 1 2 400.429 3.567 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000548865022 1010747857 /nfs/dbraw/zinc/74/78/57/1010747857.db2.gz IUEMTJPVKXLBDC-UHFFFAOYSA-N 1 2 417.340 3.604 20 30 HHEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551712341 1010755640 /nfs/dbraw/zinc/75/56/40/1010755640.db2.gz DNFLDPSTXXMJFQ-MRXNPFEDSA-N 1 2 407.358 3.964 20 30 HHEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551712341 1010755645 /nfs/dbraw/zinc/75/56/45/1010755645.db2.gz DNFLDPSTXXMJFQ-MRXNPFEDSA-N 1 2 407.358 3.964 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000536349890 1011556372 /nfs/dbraw/zinc/55/63/72/1011556372.db2.gz LMHCWBVRLLKVPP-UXHICEINSA-N 1 2 424.932 3.641 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000536349890 1011556384 /nfs/dbraw/zinc/55/63/84/1011556384.db2.gz LMHCWBVRLLKVPP-UXHICEINSA-N 1 2 424.932 3.641 20 30 HHEDLO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000541101872 1011748015 /nfs/dbraw/zinc/74/80/15/1011748015.db2.gz WDPGKUODMPQBLR-OAHLLOKOSA-N 1 2 415.432 3.951 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1Cl ZINC000551738312 1011898576 /nfs/dbraw/zinc/89/85/76/1011898576.db2.gz HYUJLWZFQSJHBI-UHFFFAOYSA-N 1 2 404.848 3.641 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1Cl ZINC000551738312 1011898596 /nfs/dbraw/zinc/89/85/96/1011898596.db2.gz HYUJLWZFQSJHBI-UHFFFAOYSA-N 1 2 404.848 3.641 20 30 HHEDLO N#CCCn1cc(C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000552060454 1012077945 /nfs/dbraw/zinc/07/79/45/1012077945.db2.gz WPWDMHVWRJESEZ-UHFFFAOYSA-N 1 2 409.497 3.603 20 30 HHEDLO N#CCCn1cc(C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000552060454 1012077965 /nfs/dbraw/zinc/07/79/65/1012077965.db2.gz WPWDMHVWRJESEZ-UHFFFAOYSA-N 1 2 409.497 3.603 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1OC ZINC000552059726 1012078547 /nfs/dbraw/zinc/07/85/47/1012078547.db2.gz WPWABCCNCCWCPE-INIZCTEOSA-N 1 2 423.351 3.609 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1OC ZINC000552059726 1012078563 /nfs/dbraw/zinc/07/85/63/1012078563.db2.gz WPWABCCNCCWCPE-INIZCTEOSA-N 1 2 423.351 3.609 20 30 HHEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cs1 ZINC000541646224 1012467644 /nfs/dbraw/zinc/46/76/44/1012467644.db2.gz AYEVODIRKFADOV-AWEZNQCLSA-N 1 2 411.531 3.926 20 30 HHEDLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)ccc2NC1=O ZINC000537155718 1012551629 /nfs/dbraw/zinc/55/16/29/1012551629.db2.gz ADLCSAHLUPLCRT-ACJLOTCBSA-N 1 2 403.442 3.569 20 30 HHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000760480337 1072379465 /nfs/dbraw/zinc/37/94/65/1072379465.db2.gz YBKVAMAFVHZEGW-RBUKOAKNSA-N 1 2 402.502 3.562 20 30 HHEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000587024727 1072509320 /nfs/dbraw/zinc/50/93/20/1072509320.db2.gz SDUHQMBOIHEBEX-CYBMUJFWSA-N 1 2 408.487 3.542 20 30 HHEDLO Cc1nsc(N2CC[NH+](Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1C#N ZINC000571696765 1072699831 /nfs/dbraw/zinc/69/98/31/1072699831.db2.gz HYWZROXCZHZECX-UHFFFAOYSA-N 1 2 410.522 3.587 20 30 HHEDLO CCN1CC[NH+]([C@H](C)CNc2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479378390 1072786796 /nfs/dbraw/zinc/78/67/96/1072786796.db2.gz LHOUCIWLMJRNAO-OAHLLOKOSA-N 1 2 416.367 3.615 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H](C)C1 ZINC000588986233 1073370823 /nfs/dbraw/zinc/37/08/23/1073370823.db2.gz BMELAKFIZLFUDS-GOSISDBHSA-N 1 2 421.516 3.861 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H](C)C1 ZINC000588986233 1073370836 /nfs/dbraw/zinc/37/08/36/1073370836.db2.gz BMELAKFIZLFUDS-GOSISDBHSA-N 1 2 421.516 3.861 20 30 HHEDLO COc1cc(OC)cc(C2(F)CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000573818838 1074649127 /nfs/dbraw/zinc/64/91/27/1074649127.db2.gz FFXRQIIRIORDJQ-MRXNPFEDSA-N 1 2 411.477 3.863 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000574317172 1075219656 /nfs/dbraw/zinc/21/96/56/1075219656.db2.gz LUNWREQALHZKPA-FPOVZHCZSA-N 1 2 416.447 3.653 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000574317172 1075219661 /nfs/dbraw/zinc/21/96/61/1075219661.db2.gz LUNWREQALHZKPA-FPOVZHCZSA-N 1 2 416.447 3.653 20 30 HHEDLO CN(C)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)c[nH+]1 ZINC000328603979 569417203 /nfs/dbraw/zinc/41/72/03/569417203.db2.gz HZDSXTNWKOARGV-RXVVDRJESA-N 1 2 409.465 3.707 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)c(C#N)cn1)CC2 ZINC001164663871 719348902 /nfs/dbraw/zinc/34/89/02/719348902.db2.gz ODFVKTYWVMLLIL-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)c(C#N)cn1)CC2 ZINC001164663871 719348905 /nfs/dbraw/zinc/34/89/05/719348905.db2.gz ODFVKTYWVMLLIL-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO Cc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)cc1C#N ZINC001164677555 719531271 /nfs/dbraw/zinc/53/12/71/719531271.db2.gz FSROYKZQQJSWPE-UHFFFAOYSA-N 1 2 414.912 3.926 20 30 HHEDLO Cc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)cc1C#N ZINC001164677555 719531279 /nfs/dbraw/zinc/53/12/79/719531279.db2.gz FSROYKZQQJSWPE-UHFFFAOYSA-N 1 2 414.912 3.926 20 30 HHEDLO N#Cc1c2c(cnc1N1CCC3(CC1)COCC[N@H+]3Cc1ccc(F)cc1)CCCC2 ZINC001164678891 719533398 /nfs/dbraw/zinc/53/33/98/719533398.db2.gz OFLVAJYFIQAAJF-UHFFFAOYSA-N 1 2 420.532 3.843 20 30 HHEDLO N#Cc1c2c(cnc1N1CCC3(CC1)COCC[N@@H+]3Cc1ccc(F)cc1)CCCC2 ZINC001164678891 719533403 /nfs/dbraw/zinc/53/34/03/719533403.db2.gz OFLVAJYFIQAAJF-UHFFFAOYSA-N 1 2 420.532 3.843 20 30 HHEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001165008443 721695837 /nfs/dbraw/zinc/69/58/37/721695837.db2.gz JHDSQKAEGFUNEA-UHFFFAOYSA-N 1 2 419.508 3.601 20 30 HHEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001165008443 721695840 /nfs/dbraw/zinc/69/58/40/721695840.db2.gz JHDSQKAEGFUNEA-UHFFFAOYSA-N 1 2 419.508 3.601 20 30 HHEDLO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053524 722009059 /nfs/dbraw/zinc/00/90/59/722009059.db2.gz IZGANAYAOVABAM-UHFFFAOYSA-N 1 2 412.271 3.565 20 30 HHEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000301507182 970960131 /nfs/dbraw/zinc/96/01/31/970960131.db2.gz AAFUYSLLNDZKAF-UHFFFAOYSA-N 1 2 420.488 3.877 20 30 HHEDLO N#Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301705975 971035051 /nfs/dbraw/zinc/03/50/51/971035051.db2.gz IIADPMQRVVQDHQ-UHFFFAOYSA-N 1 2 407.861 3.990 20 30 HHEDLO N#Cc1cc(NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000302150911 971188330 /nfs/dbraw/zinc/18/83/30/971188330.db2.gz BJEZWDFBOVYXEC-LJQANCHMSA-N 1 2 420.391 3.971 20 30 HHEDLO Cc1cccc(NC2CC[NH+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)c1 ZINC000303858241 972399449 /nfs/dbraw/zinc/39/94/49/972399449.db2.gz MABQXFZPPATGNT-UHFFFAOYSA-N 1 2 414.513 3.567 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000007927441 961374648 /nfs/dbraw/zinc/37/46/48/961374648.db2.gz OPJHRQMJEBYWOP-INIZCTEOSA-N 1 2 401.557 3.983 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000007927441 961374664 /nfs/dbraw/zinc/37/46/64/961374664.db2.gz OPJHRQMJEBYWOP-INIZCTEOSA-N 1 2 401.557 3.983 20 30 HHEDLO N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000015317968 962719993 /nfs/dbraw/zinc/71/99/93/962719993.db2.gz AHNROXYPSDFAKK-UHFFFAOYSA-N 1 2 404.495 3.591 20 30 HHEDLO N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000015317968 962720006 /nfs/dbraw/zinc/72/00/06/962720006.db2.gz AHNROXYPSDFAKK-UHFFFAOYSA-N 1 2 404.495 3.591 20 30 HHEDLO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000537855408 1013423830 /nfs/dbraw/zinc/42/38/30/1013423830.db2.gz WWQLFJHBJZYZSL-UHFFFAOYSA-N 1 2 405.502 3.956 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781538 963715660 /nfs/dbraw/zinc/71/56/60/963715660.db2.gz KDWBZIXWQUKQIX-INIZCTEOSA-N 1 2 416.447 3.722 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025361339 964251071 /nfs/dbraw/zinc/25/10/71/964251071.db2.gz PNLVYCQXUMPIEL-OAQYLSRUSA-N 1 2 412.509 3.928 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000025361339 964251088 /nfs/dbraw/zinc/25/10/88/964251088.db2.gz PNLVYCQXUMPIEL-OAQYLSRUSA-N 1 2 412.509 3.928 20 30 HHEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CC2)c1 ZINC000025678359 964332732 /nfs/dbraw/zinc/33/27/32/964332732.db2.gz WSCLTYBHVLIGHQ-UHFFFAOYSA-N 1 2 408.571 3.623 20 30 HHEDLO CC[C@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000026467100 964575137 /nfs/dbraw/zinc/57/51/37/964575137.db2.gz CXLOVTFUSWUSDA-QFIPXVFZSA-N 1 2 410.949 3.597 20 30 HHEDLO Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000051500502 964595111 /nfs/dbraw/zinc/59/51/11/964595111.db2.gz KQQYWDYQTCIPSA-UHFFFAOYSA-N 1 2 415.563 3.514 20 30 HHEDLO CC(C)Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000026766161 964670966 /nfs/dbraw/zinc/67/09/66/964670966.db2.gz MTXKYINJCWDDMO-UHFFFAOYSA-N 1 2 411.571 3.653 20 30 HHEDLO CC(C)Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000026766161 964670973 /nfs/dbraw/zinc/67/09/73/964670973.db2.gz MTXKYINJCWDDMO-UHFFFAOYSA-N 1 2 411.571 3.653 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052455751 964913019 /nfs/dbraw/zinc/91/30/19/964913019.db2.gz OKLVOTRDHMDFTI-OAQYLSRUSA-N 1 2 412.509 3.928 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052455751 964913026 /nfs/dbraw/zinc/91/30/26/964913026.db2.gz OKLVOTRDHMDFTI-OAQYLSRUSA-N 1 2 412.509 3.928 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000027552280 964917641 /nfs/dbraw/zinc/91/76/41/964917641.db2.gz PJUNOPZFXAYDPS-UHFFFAOYSA-N 1 2 411.571 3.872 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000027552280 964917644 /nfs/dbraw/zinc/91/76/44/964917644.db2.gz PJUNOPZFXAYDPS-UHFFFAOYSA-N 1 2 411.571 3.872 20 30 HHEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052800939 964987022 /nfs/dbraw/zinc/98/70/22/964987022.db2.gz VPOQOBLRSBJMAG-UHFFFAOYSA-N 1 2 412.921 3.680 20 30 HHEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052800939 964987027 /nfs/dbraw/zinc/98/70/27/964987027.db2.gz VPOQOBLRSBJMAG-UHFFFAOYSA-N 1 2 412.921 3.680 20 30 HHEDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000542611230 1013546353 /nfs/dbraw/zinc/54/63/53/1013546353.db2.gz IWQVHHDXJOGGAL-IBGZPJMESA-N 1 2 403.548 3.539 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000028794021 965184328 /nfs/dbraw/zinc/18/43/28/965184328.db2.gz ZNDNBFWDJNKGSZ-UHFFFAOYSA-N 1 2 404.297 3.588 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000028935953 965220797 /nfs/dbraw/zinc/22/07/97/965220797.db2.gz UCBGXPHFZFVTEO-UHFFFAOYSA-N 1 2 405.889 3.560 20 30 HHEDLO N#Cc1ccc(NC(=O)CCN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000054424049 965510825 /nfs/dbraw/zinc/51/08/25/965510825.db2.gz BQFRROPXOGQXKZ-QPJJXVBHSA-N 1 2 408.933 3.871 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)Cc1ccc(OC)cc1 ZINC000059423183 966024587 /nfs/dbraw/zinc/02/45/87/966024587.db2.gz YONUZNULUVOQAE-UHFFFAOYSA-N 1 2 402.516 3.787 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)Cc1ccc(OC)cc1 ZINC000059423183 966024597 /nfs/dbraw/zinc/02/45/97/966024597.db2.gz YONUZNULUVOQAE-UHFFFAOYSA-N 1 2 402.516 3.787 20 30 HHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000055902349 966131725 /nfs/dbraw/zinc/13/17/25/966131725.db2.gz PHUWQEBHMAPLQQ-UHFFFAOYSA-N 1 2 418.472 3.543 20 30 HHEDLO CC(C)COc1ccccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000060619652 966232171 /nfs/dbraw/zinc/23/21/71/966232171.db2.gz YWMUSVCXOOKLDT-UHFFFAOYSA-N 1 2 406.530 3.620 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccc(C#N)cc1 ZINC000063754450 966947308 /nfs/dbraw/zinc/94/73/08/966947308.db2.gz VAXOQRSMOCALRY-UHFFFAOYSA-N 1 2 401.894 3.616 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)Cc1ccc(C#N)cc1 ZINC000063754450 966947316 /nfs/dbraw/zinc/94/73/16/966947316.db2.gz VAXOQRSMOCALRY-UHFFFAOYSA-N 1 2 401.894 3.616 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C#N)cc1 ZINC000063754415 966947331 /nfs/dbraw/zinc/94/73/31/966947331.db2.gz DRCQVPYDJVSNSW-UHFFFAOYSA-N 1 2 420.282 3.547 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C#N)cc1 ZINC000063754415 966947340 /nfs/dbraw/zinc/94/73/40/966947340.db2.gz DRCQVPYDJVSNSW-UHFFFAOYSA-N 1 2 420.282 3.547 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000046484577 967821998 /nfs/dbraw/zinc/82/19/98/967821998.db2.gz KYDZLUYYOZZXHP-JXFKEZNVSA-N 1 2 412.921 3.838 20 30 HHEDLO CC(C)Oc1ccccc1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000046649992 967903741 /nfs/dbraw/zinc/90/37/41/967903741.db2.gz BWUCRUJJZHXMSE-LJQANCHMSA-N 1 2 406.530 3.934 20 30 HHEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048054594 968400665 /nfs/dbraw/zinc/40/06/65/968400665.db2.gz VQFUAMQYFGSFHE-UHFFFAOYSA-N 1 2 408.521 3.647 20 30 HHEDLO CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000048257182 968504330 /nfs/dbraw/zinc/50/43/30/968504330.db2.gz IVUWAKRPFDWAPZ-UHFFFAOYSA-N 1 2 405.502 3.565 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C2 ZINC000097506251 969149765 /nfs/dbraw/zinc/14/97/65/969149765.db2.gz NTDYJCBYNKNYBV-UHFFFAOYSA-N 1 2 424.932 3.912 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C2 ZINC000097506251 969149767 /nfs/dbraw/zinc/14/97/67/969149767.db2.gz NTDYJCBYNKNYBV-UHFFFAOYSA-N 1 2 424.932 3.912 20 30 HHEDLO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c(F)c1 ZINC000097571435 969165199 /nfs/dbraw/zinc/16/51/99/969165199.db2.gz LGGCYBILDUHWSW-MRXNPFEDSA-N 1 2 422.460 3.772 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCOc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000105975115 969277044 /nfs/dbraw/zinc/27/70/44/969277044.db2.gz LGOJKNMRSRJEHI-UHFFFAOYSA-N 1 2 418.324 3.978 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000108448757 969384900 /nfs/dbraw/zinc/38/49/00/969384900.db2.gz IWJGLAYBVHZKHT-UHFFFAOYSA-N 1 2 424.570 3.957 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000554249345 1013873351 /nfs/dbraw/zinc/87/33/51/1013873351.db2.gz FFXLANGRQVYYCU-HKUYNNGSSA-N 1 2 410.543 3.563 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000554249345 1013873359 /nfs/dbraw/zinc/87/33/59/1013873359.db2.gz FFXLANGRQVYYCU-HKUYNNGSSA-N 1 2 410.543 3.563 20 30 HHEDLO Cc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000116712483 969916321 /nfs/dbraw/zinc/91/63/21/969916321.db2.gz WPTXYYMWTTTXAA-UHFFFAOYSA-N 1 2 401.470 3.781 20 30 HHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1Br ZINC000195674353 969947788 /nfs/dbraw/zinc/94/77/88/969947788.db2.gz WXEKQZTWZMKFCV-UHFFFAOYSA-N 1 2 419.319 3.987 20 30 HHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1Br ZINC000195674353 969947793 /nfs/dbraw/zinc/94/77/93/969947793.db2.gz WXEKQZTWZMKFCV-UHFFFAOYSA-N 1 2 419.319 3.987 20 30 HHEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000228025903 970122771 /nfs/dbraw/zinc/12/27/71/970122771.db2.gz LPZWGKLUNUQVEI-RPBOFIJWSA-N 1 2 421.541 3.706 20 30 HHEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000228025903 970122776 /nfs/dbraw/zinc/12/27/76/970122776.db2.gz LPZWGKLUNUQVEI-RPBOFIJWSA-N 1 2 421.541 3.706 20 30 HHEDLO N#CC1CC[NH+](CC(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)CC1 ZINC000142048352 970139159 /nfs/dbraw/zinc/13/91/59/970139159.db2.gz MBKHCPIERWAIGS-QPJJXVBHSA-N 1 2 417.509 3.740 20 30 HHEDLO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237305773 970259420 /nfs/dbraw/zinc/25/94/20/970259420.db2.gz XTKNUNXSEGZTEM-UHFFFAOYSA-N 1 2 413.327 3.845 20 30 HHEDLO CCCCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000195538673 970499581 /nfs/dbraw/zinc/49/95/81/970499581.db2.gz RLIHBTUBXKMGCJ-DLBZAZTESA-N 1 2 420.627 3.914 20 30 HHEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000248170312 970517858 /nfs/dbraw/zinc/51/78/58/970517858.db2.gz RLXPIZNXUFSHBA-VWLOTQADSA-N 1 2 404.558 3.579 20 30 HHEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000248170312 970517868 /nfs/dbraw/zinc/51/78/68/970517868.db2.gz RLXPIZNXUFSHBA-VWLOTQADSA-N 1 2 404.558 3.579 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CSc2nc(N)cc(C)[nH+]2)c1C#N ZINC000253478461 970561477 /nfs/dbraw/zinc/56/14/77/970561477.db2.gz LEHHGQVJEDCGEW-UHFFFAOYSA-N 1 2 410.478 3.516 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410261483 973771839 /nfs/dbraw/zinc/77/18/39/973771839.db2.gz YBLCUEVOZCNBHR-IBGZPJMESA-N 1 2 422.529 3.665 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426211865 974315629 /nfs/dbraw/zinc/31/56/29/974315629.db2.gz WATSYUAETCGDBN-LSDHHAIUSA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426211865 974315642 /nfs/dbraw/zinc/31/56/42/974315642.db2.gz WATSYUAETCGDBN-LSDHHAIUSA-N 1 2 417.575 3.879 20 30 HHEDLO O=S(=O)(c1cccc(OC(F)(F)F)c1F)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000427787069 975288582 /nfs/dbraw/zinc/28/85/82/975288582.db2.gz FUCSYRBFKMKVGT-UHFFFAOYSA-N 1 2 418.290 3.877 20 30 HHEDLO C=CCN(CCc1ccco1)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428357189 975670838 /nfs/dbraw/zinc/67/08/38/975670838.db2.gz XWKQAUKHDDJZPV-UHFFFAOYSA-N 1 2 402.564 3.637 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4c(c3)C(=O)CCC4)CC2)cc1 ZINC000428764706 976036695 /nfs/dbraw/zinc/03/66/95/976036695.db2.gz ZTLAICSABGBJFT-UHFFFAOYSA-N 1 2 402.498 3.817 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4c(c3)C(=O)CCC4)CC2)cc1 ZINC000428764706 976036713 /nfs/dbraw/zinc/03/67/13/976036713.db2.gz ZTLAICSABGBJFT-UHFFFAOYSA-N 1 2 402.498 3.817 20 30 HHEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428796000 976072195 /nfs/dbraw/zinc/07/21/95/976072195.db2.gz ZQFVJPFEAUJIKR-KSSFIOAISA-N 1 2 409.877 3.795 20 30 HHEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428796000 976072209 /nfs/dbraw/zinc/07/22/09/976072209.db2.gz ZQFVJPFEAUJIKR-KSSFIOAISA-N 1 2 409.877 3.795 20 30 HHEDLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000428797657 976075431 /nfs/dbraw/zinc/07/54/31/976075431.db2.gz QXLRGCLGJQDQBV-FQEVSTJZSA-N 1 2 419.485 3.835 20 30 HHEDLO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000428797657 976075441 /nfs/dbraw/zinc/07/54/41/976075441.db2.gz QXLRGCLGJQDQBV-FQEVSTJZSA-N 1 2 419.485 3.835 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C2)nc1 ZINC000428820983 976101454 /nfs/dbraw/zinc/10/14/54/976101454.db2.gz UHIVJXQIIGGAAN-HAWMADMCSA-N 1 2 410.326 3.521 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C2)nc1 ZINC000428820983 976101463 /nfs/dbraw/zinc/10/14/63/976101463.db2.gz UHIVJXQIIGGAAN-HAWMADMCSA-N 1 2 410.326 3.521 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430947682 977907808 /nfs/dbraw/zinc/90/78/08/977907808.db2.gz BYCVCNUMAMRTTQ-FQEVSTJZSA-N 1 2 409.555 3.964 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430947682 977907813 /nfs/dbraw/zinc/90/78/13/977907813.db2.gz BYCVCNUMAMRTTQ-FQEVSTJZSA-N 1 2 409.555 3.964 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433249400 979181150 /nfs/dbraw/zinc/18/11/50/979181150.db2.gz WLLSMOOSZZMZSO-UHFFFAOYSA-N 1 2 420.916 3.876 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433249400 979181158 /nfs/dbraw/zinc/18/11/58/979181158.db2.gz WLLSMOOSZZMZSO-UHFFFAOYSA-N 1 2 420.916 3.876 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434671687 980331509 /nfs/dbraw/zinc/33/15/09/980331509.db2.gz VNRVEAGUFIMZPH-LJQANCHMSA-N 1 2 405.546 3.734 20 30 HHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434679775 980335777 /nfs/dbraw/zinc/33/57/77/980335777.db2.gz FQTMAAVBGXDGHX-SZTYLXMGSA-N 1 2 411.594 3.718 20 30 HHEDLO N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1 ZINC000434790958 980400275 /nfs/dbraw/zinc/40/02/75/980400275.db2.gz AGCBFLFAXJTTLI-UHFFFAOYSA-N 1 2 418.522 3.560 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C(F)(F)F ZINC000435201299 980717938 /nfs/dbraw/zinc/71/79/38/980717938.db2.gz FYSGKBSIRSIPOF-UHFFFAOYSA-N 1 2 410.352 3.703 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3-c3cc4ccccc4o3)CC2)cc1 ZINC000435828963 981049481 /nfs/dbraw/zinc/04/94/81/981049481.db2.gz XEOPUSXCLYOWKK-UHFFFAOYSA-N 1 2 411.465 3.653 20 30 HHEDLO C=C(C)Cn1c(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)nnc1C(C)(C)C ZINC000460771587 982525021 /nfs/dbraw/zinc/52/50/21/982525021.db2.gz PAJFVDPRFPVFMN-UHFFFAOYSA-N 1 2 419.577 3.660 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)CC2)cc1 ZINC000438054343 982555492 /nfs/dbraw/zinc/55/54/92/982555492.db2.gz HRDYKPTVLHNFIQ-AQYVVDRMSA-N 1 2 408.933 3.985 20 30 HHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCCO1 ZINC000439463000 983421162 /nfs/dbraw/zinc/42/11/62/983421162.db2.gz AFINJDHALJTGHW-FQEVSTJZSA-N 1 2 412.509 3.603 20 30 HHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCCO1 ZINC000439463000 983421164 /nfs/dbraw/zinc/42/11/64/983421164.db2.gz AFINJDHALJTGHW-FQEVSTJZSA-N 1 2 412.509 3.603 20 30 HHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000440098280 983643154 /nfs/dbraw/zinc/64/31/54/983643154.db2.gz GPBJMKSAAOSQIS-QVKFZJNVSA-N 1 2 412.484 3.913 20 30 HHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000440098280 983643157 /nfs/dbraw/zinc/64/31/57/983643157.db2.gz GPBJMKSAAOSQIS-QVKFZJNVSA-N 1 2 412.484 3.913 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000441042983 984039928 /nfs/dbraw/zinc/03/99/28/984039928.db2.gz GKVZEPOAQDWMDF-NRFANRHFSA-N 1 2 411.914 3.760 20 30 HHEDLO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)Cc2ccccc21 ZINC000441116693 984075765 /nfs/dbraw/zinc/07/57/65/984075765.db2.gz PWUHCLCPMJDPCQ-JTSKRJEESA-N 1 2 423.488 3.623 20 30 HHEDLO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)Cc2ccccc21 ZINC000441116693 984075773 /nfs/dbraw/zinc/07/57/73/984075773.db2.gz PWUHCLCPMJDPCQ-JTSKRJEESA-N 1 2 423.488 3.623 20 30 HHEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)Cc2ccccc21 ZINC000441130912 984082614 /nfs/dbraw/zinc/08/26/14/984082614.db2.gz ATBIUQJCTXPCBZ-QFIPXVFZSA-N 1 2 419.525 3.713 20 30 HHEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)Cc2ccccc21 ZINC000441130912 984082619 /nfs/dbraw/zinc/08/26/19/984082619.db2.gz ATBIUQJCTXPCBZ-QFIPXVFZSA-N 1 2 419.525 3.713 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000441187130 984106320 /nfs/dbraw/zinc/10/63/20/984106320.db2.gz FXOFLYUXRPHDSV-QGZVFWFLSA-N 1 2 410.493 3.512 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000441187130 984106324 /nfs/dbraw/zinc/10/63/24/984106324.db2.gz FXOFLYUXRPHDSV-QGZVFWFLSA-N 1 2 410.493 3.512 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000442221501 984740773 /nfs/dbraw/zinc/74/07/73/984740773.db2.gz ZJXVQNHCMIYUNU-CYBMUJFWSA-N 1 2 407.396 3.677 20 30 HHEDLO CC[C@@]1(C)Oc2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2O1 ZINC000443363052 985524299 /nfs/dbraw/zinc/52/42/99/985524299.db2.gz UJYZSFYFUWHIBD-QHCPKHFHSA-N 1 2 406.486 3.805 20 30 HHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000443660312 985860051 /nfs/dbraw/zinc/86/00/51/985860051.db2.gz RBDQCZGDDWORHG-PBHICJAKSA-N 1 2 410.474 3.885 20 30 HHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000443660312 985860065 /nfs/dbraw/zinc/86/00/65/985860065.db2.gz RBDQCZGDDWORHG-PBHICJAKSA-N 1 2 410.474 3.885 20 30 HHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444170298 986345756 /nfs/dbraw/zinc/34/57/56/986345756.db2.gz MTKMKXHRVBEUSA-HRAATJIYSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444170298 986345769 /nfs/dbraw/zinc/34/57/69/986345769.db2.gz MTKMKXHRVBEUSA-HRAATJIYSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444170300 986346329 /nfs/dbraw/zinc/34/63/29/986346329.db2.gz MTKMKXHRVBEUSA-IIBYNOLFSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444170300 986346340 /nfs/dbraw/zinc/34/63/40/986346340.db2.gz MTKMKXHRVBEUSA-IIBYNOLFSA-N 1 2 403.461 3.905 20 30 HHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000444683109 986863641 /nfs/dbraw/zinc/86/36/41/986863641.db2.gz WYGUNPCFZMTAOX-FQEVSTJZSA-N 1 2 400.482 3.891 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000444713458 986885402 /nfs/dbraw/zinc/88/54/02/986885402.db2.gz AQBICMDEBWCFMX-KSSFIOAISA-N 1 2 417.859 3.530 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)ccc1Cl ZINC000444713458 986885419 /nfs/dbraw/zinc/88/54/19/986885419.db2.gz AQBICMDEBWCFMX-KSSFIOAISA-N 1 2 417.859 3.530 20 30 HHEDLO Cc1cccc2nc(C3CC[NH+](CCS(=O)(=O)c4cccc(C#N)c4)CC3)oc21 ZINC000444765373 986925939 /nfs/dbraw/zinc/92/59/39/986925939.db2.gz ZIDBRRRGTSACII-UHFFFAOYSA-N 1 2 409.511 3.661 20 30 HHEDLO C=CC[C@@H]1[N@H+](CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CCCC1(C)C ZINC000444778570 986935840 /nfs/dbraw/zinc/93/58/40/986935840.db2.gz JEUMSFZQAGXVKF-NQIIRXRSSA-N 1 2 406.592 3.714 20 30 HHEDLO C=CC[C@@H]1[N@@H+](CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CCCC1(C)C ZINC000444778570 986935850 /nfs/dbraw/zinc/93/58/50/986935850.db2.gz JEUMSFZQAGXVKF-NQIIRXRSSA-N 1 2 406.592 3.714 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000469750128 987402037 /nfs/dbraw/zinc/40/20/37/987402037.db2.gz BSYQSILUZZHDIU-GRERDSQWSA-N 1 2 406.486 3.506 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3-c3cccc(Cl)c3)CC2)cc1 ZINC000445645680 987719030 /nfs/dbraw/zinc/71/90/30/987719030.db2.gz WDYLXEHZKPHLHN-UHFFFAOYSA-N 1 2 405.889 3.560 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnc(Cc4ccccc4)s3)CC2)cc1 ZINC000445767527 987830538 /nfs/dbraw/zinc/83/05/38/987830538.db2.gz MEYNFYKDXMDMQV-UHFFFAOYSA-N 1 2 416.550 3.954 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnc(Cc4ccccc4)s3)CC2)cc1 ZINC000445767527 987830543 /nfs/dbraw/zinc/83/05/43/987830543.db2.gz MEYNFYKDXMDMQV-UHFFFAOYSA-N 1 2 416.550 3.954 20 30 HHEDLO N#Cc1ccc(OCc2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)o2)cc1 ZINC000445815688 987877547 /nfs/dbraw/zinc/87/75/47/987877547.db2.gz NRFITVCGTXBFGP-OXJNMPFZSA-N 1 2 406.442 3.706 20 30 HHEDLO N#Cc1ccc(OCc2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)o2)cc1 ZINC000445815688 987877554 /nfs/dbraw/zinc/87/75/54/987877554.db2.gz NRFITVCGTXBFGP-OXJNMPFZSA-N 1 2 406.442 3.706 20 30 HHEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000470180191 988096471 /nfs/dbraw/zinc/09/64/71/988096471.db2.gz JQQDSQGUMQZZSV-FOWTUZBSSA-N 1 2 419.441 3.940 20 30 HHEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000464415669 988586144 /nfs/dbraw/zinc/58/61/44/988586144.db2.gz ZVRRRFPGMGZLQJ-UHFFFAOYSA-N 1 2 410.499 3.736 20 30 HHEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000464495214 988667614 /nfs/dbraw/zinc/66/76/14/988667614.db2.gz MWKFQXZFTDMGJY-ZWKOTPCHSA-N 1 2 417.575 3.931 20 30 HHEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000464495214 988667618 /nfs/dbraw/zinc/66/76/18/988667618.db2.gz MWKFQXZFTDMGJY-ZWKOTPCHSA-N 1 2 417.575 3.931 20 30 HHEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000470846443 988925162 /nfs/dbraw/zinc/92/51/62/988925162.db2.gz CTEPRVVBMIODEQ-UHFFFAOYSA-N 1 2 413.481 3.767 20 30 HHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000471001434 989068428 /nfs/dbraw/zinc/06/84/28/989068428.db2.gz PEHBDQXSFBQESI-QHCPKHFHSA-N 1 2 405.933 3.967 20 30 HHEDLO N#Cc1ccnc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1[N+](=O)[O-] ZINC000471052130 989132022 /nfs/dbraw/zinc/13/20/22/989132022.db2.gz IFIXHUAKLCOZIN-UHFFFAOYSA-N 1 2 404.430 3.593 20 30 HHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)ccc1O ZINC000471147748 989260805 /nfs/dbraw/zinc/26/08/05/989260805.db2.gz HHLRPSAINDXTTI-UHFFFAOYSA-N 1 2 418.497 3.751 20 30 HHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)ccc1O ZINC000471147748 989260814 /nfs/dbraw/zinc/26/08/14/989260814.db2.gz HHLRPSAINDXTTI-UHFFFAOYSA-N 1 2 418.497 3.751 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)c3cccc(-n4cc[nH+]c4)c3)C2)n1 ZINC000471430350 989608912 /nfs/dbraw/zinc/60/89/12/989608912.db2.gz CPEGDENRQZKDQK-WIYYLYMNSA-N 1 2 414.513 3.541 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H](C)c3cccc(-n4cc[nH+]c4)c3)C2)n1 ZINC000471430348 989609152 /nfs/dbraw/zinc/60/91/52/989609152.db2.gz CPEGDENRQZKDQK-NQIIRXRSSA-N 1 2 414.513 3.541 20 30 HHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)c1 ZINC000466606170 991922433 /nfs/dbraw/zinc/92/24/33/991922433.db2.gz GKIOJJPDVHUQIA-GOSISDBHSA-N 1 2 423.517 3.683 20 30 HHEDLO FC(F)(F)c1nnc(N2CCC[N@H+](CC#Cc3ccc(Cl)cc3)CC2)s1 ZINC000467269313 992591059 /nfs/dbraw/zinc/59/10/59/992591059.db2.gz QYJFWHWDKNTBIQ-UHFFFAOYSA-N 1 2 400.857 3.774 20 30 HHEDLO FC(F)(F)c1nnc(N2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)CC2)s1 ZINC000467269313 992591066 /nfs/dbraw/zinc/59/10/66/992591066.db2.gz QYJFWHWDKNTBIQ-UHFFFAOYSA-N 1 2 400.857 3.774 20 30 HHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472149917 993203879 /nfs/dbraw/zinc/20/38/79/993203879.db2.gz DHBHSAOXDNEHDC-GOSISDBHSA-N 1 2 402.340 3.636 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCc3ccc(OC)cc3)CC2)c1C ZINC000472362426 993360490 /nfs/dbraw/zinc/36/04/90/993360490.db2.gz WNFJELNMKSQQTL-UHFFFAOYSA-N 1 2 423.557 3.511 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000473201560 994063163 /nfs/dbraw/zinc/06/31/63/994063163.db2.gz UHYYNBWIIJCKLB-INIZCTEOSA-N 1 2 405.589 3.617 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000473201560 994063170 /nfs/dbraw/zinc/06/31/70/994063170.db2.gz UHYYNBWIIJCKLB-INIZCTEOSA-N 1 2 405.589 3.617 20 30 HHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)c1 ZINC000481433179 994268117 /nfs/dbraw/zinc/26/81/17/994268117.db2.gz IKKYGVCGBHOBED-GOSISDBHSA-N 1 2 407.514 3.630 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000482942752 995870531 /nfs/dbraw/zinc/87/05/31/995870531.db2.gz IWMAHOUUJBBFQB-SFHVURJKSA-N 1 2 424.570 3.543 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)ccc1Cl ZINC000483354179 996120339 /nfs/dbraw/zinc/12/03/39/996120339.db2.gz JASFKVMKAOOSFM-QFIPXVFZSA-N 1 2 419.953 3.555 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)ccc1Cl ZINC000483354179 996120342 /nfs/dbraw/zinc/12/03/42/996120342.db2.gz JASFKVMKAOOSFM-QFIPXVFZSA-N 1 2 419.953 3.555 20 30 HHEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000483433204 996176178 /nfs/dbraw/zinc/17/61/78/996176178.db2.gz TUWRVTNNXVLXID-UHFFFAOYSA-N 1 2 412.515 3.564 20 30 HHEDLO CCCN1C(=O)CC[C@@H](C(=O)Nc2sc(C)c(CC)c2C#N)[C@@H]1c1c[nH+]cn1C ZINC000483461428 996195148 /nfs/dbraw/zinc/19/51/48/996195148.db2.gz NKEOKMQOPIGAMZ-DNVCBOLYSA-N 1 2 413.547 3.553 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475609154 996245382 /nfs/dbraw/zinc/24/53/82/996245382.db2.gz QEVCBSILPAQUCX-QPPBQGQZSA-N 1 2 405.542 3.823 20 30 HHEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CCC2 ZINC000478056908 998740710 /nfs/dbraw/zinc/74/07/10/998740710.db2.gz UVPYQFNJAGMDLN-SFHVURJKSA-N 1 2 420.542 3.711 20 30 HHEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CCC2 ZINC000478056908 998740715 /nfs/dbraw/zinc/74/07/15/998740715.db2.gz UVPYQFNJAGMDLN-SFHVURJKSA-N 1 2 420.542 3.711 20 30 HHEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1Br)C1CCCC1 ZINC000486787506 998940011 /nfs/dbraw/zinc/94/00/11/998940011.db2.gz JDHKMRPODRQKOI-UHFFFAOYSA-N 1 2 417.351 3.850 20 30 HHEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000486787506 998940013 /nfs/dbraw/zinc/94/00/13/998940013.db2.gz JDHKMRPODRQKOI-UHFFFAOYSA-N 1 2 417.351 3.850 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1C#N ZINC000486807982 998948733 /nfs/dbraw/zinc/94/87/33/998948733.db2.gz IDTXBOXXVFHRFS-UXHICEINSA-N 1 2 416.591 3.627 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)c1C#N ZINC000486807982 998948735 /nfs/dbraw/zinc/94/87/35/998948735.db2.gz IDTXBOXXVFHRFS-UXHICEINSA-N 1 2 416.591 3.627 20 30 HHEDLO COc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000487357358 999146099 /nfs/dbraw/zinc/14/60/99/999146099.db2.gz AZOCILIYNNGLFY-QHCPKHFHSA-N 1 2 424.497 3.989 20 30 HHEDLO COc1ccc(C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000487383628 999154974 /nfs/dbraw/zinc/15/49/74/999154974.db2.gz ZOYXSXZWUXVZJL-HXUWFJFHSA-N 1 2 412.555 3.686 20 30 HHEDLO COc1ccc(C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000487383628 999154976 /nfs/dbraw/zinc/15/49/76/999154976.db2.gz ZOYXSXZWUXVZJL-HXUWFJFHSA-N 1 2 412.555 3.686 20 30 HHEDLO C=CC[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000487924841 999317777 /nfs/dbraw/zinc/31/77/77/999317777.db2.gz ZLLIKQFGTMNFPE-INIZCTEOSA-N 1 2 421.455 3.875 20 30 HHEDLO C=CC[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000487924841 999317780 /nfs/dbraw/zinc/31/77/80/999317780.db2.gz ZLLIKQFGTMNFPE-INIZCTEOSA-N 1 2 421.455 3.875 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488973549 999661444 /nfs/dbraw/zinc/66/14/44/999661444.db2.gz GCFJFWCOCIUVII-IAGOWNOFSA-N 1 2 403.523 3.729 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488973549 999661446 /nfs/dbraw/zinc/66/14/46/999661446.db2.gz GCFJFWCOCIUVII-IAGOWNOFSA-N 1 2 403.523 3.729 20 30 HHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000480318596 999770287 /nfs/dbraw/zinc/77/02/87/999770287.db2.gz HTSVEIKQULABNK-UHFFFAOYSA-N 1 2 422.529 3.678 20 30 HHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000480318596 999770289 /nfs/dbraw/zinc/77/02/89/999770289.db2.gz HTSVEIKQULABNK-UHFFFAOYSA-N 1 2 422.529 3.678 20 30 HHEDLO C=CCC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000489771415 999834786 /nfs/dbraw/zinc/83/47/86/999834786.db2.gz QHZNMDHFJCGCJF-MOPGFXCFSA-N 1 2 411.468 3.875 20 30 HHEDLO C=CCC[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000489771415 999834788 /nfs/dbraw/zinc/83/47/88/999834788.db2.gz QHZNMDHFJCGCJF-MOPGFXCFSA-N 1 2 411.468 3.875 20 30 HHEDLO Cc1cc(C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC(C)C)nc(N2CCCCC2)n1 ZINC000490999520 1000032087 /nfs/dbraw/zinc/03/20/87/1000032087.db2.gz TWAXZFWGHAUBGU-UHFFFAOYSA-N 1 2 420.561 3.744 20 30 HHEDLO Cc1cc(C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC(C)C)nc(N2CCCCC2)n1 ZINC000490999520 1000032088 /nfs/dbraw/zinc/03/20/88/1000032088.db2.gz TWAXZFWGHAUBGU-UHFFFAOYSA-N 1 2 420.561 3.744 20 30 HHEDLO Cc1cc([C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)ccc1F ZINC000491197674 1000054634 /nfs/dbraw/zinc/05/46/34/1000054634.db2.gz XBMVGCLEXZBNBK-IBGZPJMESA-N 1 2 413.518 3.958 20 30 HHEDLO Cc1cc([C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)ccc1F ZINC000491197674 1000054635 /nfs/dbraw/zinc/05/46/35/1000054635.db2.gz XBMVGCLEXZBNBK-IBGZPJMESA-N 1 2 413.518 3.958 20 30 HHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000492417054 1000125729 /nfs/dbraw/zinc/12/57/29/1000125729.db2.gz MJTBSASVIWSQDV-UHFFFAOYSA-N 1 2 404.352 3.935 20 30 HHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000492417054 1000125730 /nfs/dbraw/zinc/12/57/30/1000125730.db2.gz MJTBSASVIWSQDV-UHFFFAOYSA-N 1 2 404.352 3.935 20 30 HHEDLO N#Cc1cccc(OCCCCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000504851273 1000403396 /nfs/dbraw/zinc/40/33/96/1000403396.db2.gz HJNLHCSYXATIOC-UHFFFAOYSA-N 1 2 418.497 3.842 20 30 HHEDLO CCOc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000505232567 1000635725 /nfs/dbraw/zinc/63/57/25/1000635725.db2.gz UWPUSUUMRWZLOI-SFHVURJKSA-N 1 2 422.529 3.554 20 30 HHEDLO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505314932 1000695837 /nfs/dbraw/zinc/69/58/37/1000695837.db2.gz SAOPLKSUPURRSE-ROUUACIJSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505314932 1000695839 /nfs/dbraw/zinc/69/58/39/1000695839.db2.gz SAOPLKSUPURRSE-ROUUACIJSA-N 1 2 404.297 3.575 20 30 HHEDLO CCc1c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1CCC(C)C ZINC000494943688 1000744720 /nfs/dbraw/zinc/74/47/20/1000744720.db2.gz ZAKLUWUJKQYPMW-UHFFFAOYSA-N 1 2 408.550 3.713 20 30 HHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000505580121 1000918933 /nfs/dbraw/zinc/91/89/33/1000918933.db2.gz WHKNXFYGJNYDBI-NRFANRHFSA-N 1 2 402.429 3.671 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000505643533 1000950826 /nfs/dbraw/zinc/95/08/26/1000950826.db2.gz DWQGXXLBPUNBAS-RTWAWAEBSA-N 1 2 411.933 3.959 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000505643533 1000950831 /nfs/dbraw/zinc/95/08/31/1000950831.db2.gz DWQGXXLBPUNBAS-RTWAWAEBSA-N 1 2 411.933 3.959 20 30 HHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n2)C1 ZINC000505737469 1001000472 /nfs/dbraw/zinc/00/04/72/1001000472.db2.gz XTARXRRTIKMNKQ-VBKZILBWSA-N 1 2 406.552 3.575 20 30 HHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n2)C1 ZINC000505737469 1001000476 /nfs/dbraw/zinc/00/04/76/1001000476.db2.gz XTARXRRTIKMNKQ-VBKZILBWSA-N 1 2 406.552 3.575 20 30 HHEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000498285238 1001755450 /nfs/dbraw/zinc/75/54/50/1001755450.db2.gz LXSNRCPJHMFIKN-SFTDATJTSA-N 1 2 417.937 3.745 20 30 HHEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000498285238 1001755453 /nfs/dbraw/zinc/75/54/53/1001755453.db2.gz LXSNRCPJHMFIKN-SFTDATJTSA-N 1 2 417.937 3.745 20 30 HHEDLO CCCCCC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000498687005 1002074335 /nfs/dbraw/zinc/07/43/35/1002074335.db2.gz ZBXIHQIFCXGZKD-OAHLLOKOSA-N 1 2 416.591 3.596 20 30 HHEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC12CCCCC2 ZINC000498943193 1002342676 /nfs/dbraw/zinc/34/26/76/1002342676.db2.gz WOYUPVGNJXKVFC-NRFANRHFSA-N 1 2 424.589 3.806 20 30 HHEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC12CCCCC2 ZINC000498943193 1002342685 /nfs/dbraw/zinc/34/26/85/1002342685.db2.gz WOYUPVGNJXKVFC-NRFANRHFSA-N 1 2 424.589 3.806 20 30 HHEDLO COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1C ZINC000507817619 1002364036 /nfs/dbraw/zinc/36/40/36/1002364036.db2.gz CVQULXNHEFSGDO-SFHVURJKSA-N 1 2 409.530 3.910 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C#N)c1C ZINC000508116868 1002646290 /nfs/dbraw/zinc/64/62/90/1002646290.db2.gz DHWFSDMOIPYSCR-INIZCTEOSA-N 1 2 423.448 3.775 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C#N)c1C ZINC000508116868 1002646295 /nfs/dbraw/zinc/64/62/95/1002646295.db2.gz DHWFSDMOIPYSCR-INIZCTEOSA-N 1 2 423.448 3.775 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(F)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000499557082 1002938161 /nfs/dbraw/zinc/93/81/61/1002938161.db2.gz NPHIXHRYJAWYJJ-RTBURBONSA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(F)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000499557082 1002938171 /nfs/dbraw/zinc/93/81/71/1002938171.db2.gz NPHIXHRYJAWYJJ-RTBURBONSA-N 1 2 402.857 3.544 20 30 HHEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000508662533 1003104120 /nfs/dbraw/zinc/10/41/20/1003104120.db2.gz NGHAHGXABPSGFD-UHFFFAOYSA-N 1 2 408.506 3.697 20 30 HHEDLO CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)c1ccccc1Br ZINC000508726861 1003167484 /nfs/dbraw/zinc/16/74/84/1003167484.db2.gz YIFBFVJGQLHSJA-MRXNPFEDSA-N 1 2 405.340 3.878 20 30 HHEDLO CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@H](C)c1ccccc1Br ZINC000508726861 1003167475 /nfs/dbraw/zinc/16/74/75/1003167475.db2.gz YIFBFVJGQLHSJA-MRXNPFEDSA-N 1 2 405.340 3.878 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000499941398 1003264456 /nfs/dbraw/zinc/26/44/56/1003264456.db2.gz YFQFEUSOXWKADE-LJQANCHMSA-N 1 2 403.885 3.666 20 30 HHEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000508859515 1003279902 /nfs/dbraw/zinc/27/99/02/1003279902.db2.gz WCEHTJOPYLHKDL-PMACEKPBSA-N 1 2 417.504 3.867 20 30 HHEDLO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508895384 1003324920 /nfs/dbraw/zinc/32/49/20/1003324920.db2.gz OSTBEYSQZLZXFE-UHFFFAOYSA-N 1 2 410.909 3.515 20 30 HHEDLO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508906754 1003344825 /nfs/dbraw/zinc/34/48/25/1003344825.db2.gz IPRPEVJAGSULBZ-UHFFFAOYSA-N 1 2 411.937 3.818 20 30 HHEDLO C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000509014469 1003486792 /nfs/dbraw/zinc/48/67/92/1003486792.db2.gz XJALLTDDOMSQJY-JXFKEZNVSA-N 1 2 417.504 3.520 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(COc4cccc(C#N)c4)c3)n2)C1 ZINC000500897429 1004036564 /nfs/dbraw/zinc/03/65/64/1004036564.db2.gz SLLUJFLWJLIMNR-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(COc4cccc(C#N)c4)c3)n2)C1 ZINC000500897429 1004036574 /nfs/dbraw/zinc/03/65/74/1004036574.db2.gz SLLUJFLWJLIMNR-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000512192688 1004093791 /nfs/dbraw/zinc/09/37/91/1004093791.db2.gz BGYMTZAITLUQFT-OAHLLOKOSA-N 1 2 408.901 3.990 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000512192688 1004093805 /nfs/dbraw/zinc/09/38/05/1004093805.db2.gz BGYMTZAITLUQFT-OAHLLOKOSA-N 1 2 408.901 3.990 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512262121 1004163659 /nfs/dbraw/zinc/16/36/59/1004163659.db2.gz RSSPAPMENUGXQE-KBXCAEBGSA-N 1 2 415.481 3.799 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512262121 1004163662 /nfs/dbraw/zinc/16/36/62/1004163662.db2.gz RSSPAPMENUGXQE-KBXCAEBGSA-N 1 2 415.481 3.799 20 30 HHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000512736458 1004527260 /nfs/dbraw/zinc/52/72/60/1004527260.db2.gz UAXFCGPHHYBMTH-UHFFFAOYSA-N 1 2 402.498 3.808 20 30 HHEDLO CCCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000501576680 1004529816 /nfs/dbraw/zinc/52/98/16/1004529816.db2.gz VUOYHZVCWSPWAA-OAHLLOKOSA-N 1 2 411.575 3.922 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c(F)c1 ZINC000512800721 1004566237 /nfs/dbraw/zinc/56/62/37/1004566237.db2.gz GWQAKOTWPQWHJA-UHFFFAOYSA-N 1 2 412.852 3.704 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCN(c3nccs3)CC2)ccc1Cl ZINC000513341320 1004919318 /nfs/dbraw/zinc/91/93/18/1004919318.db2.gz TZDMCENEXKDJNV-UHFFFAOYSA-N 1 2 417.966 3.564 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCN(c3nccs3)CC2)ccc1Cl ZINC000513341320 1004919323 /nfs/dbraw/zinc/91/93/23/1004919323.db2.gz TZDMCENEXKDJNV-UHFFFAOYSA-N 1 2 417.966 3.564 20 30 HHEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000502540435 1005109958 /nfs/dbraw/zinc/10/99/58/1005109958.db2.gz LWVAZZJRXIRYOY-OAHLLOKOSA-N 1 2 406.442 3.591 20 30 HHEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 ZINC000502540435 1005109961 /nfs/dbraw/zinc/10/99/61/1005109961.db2.gz LWVAZZJRXIRYOY-OAHLLOKOSA-N 1 2 406.442 3.591 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555102 1005116369 /nfs/dbraw/zinc/11/63/69/1005116369.db2.gz UTRAVJOKAUSOGF-LJQANCHMSA-N 1 2 414.509 3.991 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555102 1005116372 /nfs/dbraw/zinc/11/63/72/1005116372.db2.gz UTRAVJOKAUSOGF-LJQANCHMSA-N 1 2 414.509 3.991 20 30 HHEDLO N#C[C@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513978098 1005210516 /nfs/dbraw/zinc/21/05/16/1005210516.db2.gz FRHRVDKOTQGEML-RNODOKPDSA-N 1 2 402.281 3.718 20 30 HHEDLO N#C[C@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513978098 1005210520 /nfs/dbraw/zinc/21/05/20/1005210520.db2.gz FRHRVDKOTQGEML-RNODOKPDSA-N 1 2 402.281 3.718 20 30 HHEDLO N#C[C@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513978097 1005210562 /nfs/dbraw/zinc/21/05/62/1005210562.db2.gz FRHRVDKOTQGEML-RBZFPXEDSA-N 1 2 402.281 3.718 20 30 HHEDLO N#C[C@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513978097 1005210565 /nfs/dbraw/zinc/21/05/65/1005210565.db2.gz FRHRVDKOTQGEML-RBZFPXEDSA-N 1 2 402.281 3.718 20 30 HHEDLO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000514829813 1006159764 /nfs/dbraw/zinc/15/97/64/1006159764.db2.gz NBCMZCNKBMEJIJ-KBXCAEBGSA-N 1 2 423.460 3.829 20 30 HHEDLO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000514829813 1006159771 /nfs/dbraw/zinc/15/97/71/1006159771.db2.gz NBCMZCNKBMEJIJ-KBXCAEBGSA-N 1 2 423.460 3.829 20 30 HHEDLO COCCOCC[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000515079752 1006274735 /nfs/dbraw/zinc/27/47/35/1006274735.db2.gz FGJPLVHVLXXBDT-UHFFFAOYSA-N 1 2 403.320 3.986 20 30 HHEDLO COCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000515079752 1006274747 /nfs/dbraw/zinc/27/47/47/1006274747.db2.gz FGJPLVHVLXXBDT-UHFFFAOYSA-N 1 2 403.320 3.986 20 30 HHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)Cc1cccc(C#N)c1 ZINC000532153235 1006676062 /nfs/dbraw/zinc/67/60/62/1006676062.db2.gz IOFMWRDHQLZDRA-GOSISDBHSA-N 1 2 407.514 3.749 20 30 HHEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)Cc1cccc(C#N)c1 ZINC000532153235 1006676070 /nfs/dbraw/zinc/67/60/70/1006676070.db2.gz IOFMWRDHQLZDRA-GOSISDBHSA-N 1 2 407.514 3.749 20 30 HHEDLO COCCOC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000532572956 1007003806 /nfs/dbraw/zinc/00/38/06/1007003806.db2.gz FYVHYDRDBXNBBX-UHFFFAOYSA-N 1 2 416.566 3.548 20 30 HHEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)n1 ZINC000538733952 1007015194 /nfs/dbraw/zinc/01/51/94/1007015194.db2.gz MTPSQRNEGJIHKZ-UHFFFAOYSA-N 1 2 405.527 3.619 20 30 HHEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c(SC)cc1OC ZINC000532584239 1007019078 /nfs/dbraw/zinc/01/90/78/1007019078.db2.gz YMCQORNODJOHDM-ZDUSSCGKSA-N 1 2 417.531 3.966 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c(SC)cc1OC ZINC000532584239 1007019091 /nfs/dbraw/zinc/01/90/91/1007019091.db2.gz YMCQORNODJOHDM-ZDUSSCGKSA-N 1 2 417.531 3.966 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000532726857 1007135743 /nfs/dbraw/zinc/13/57/43/1007135743.db2.gz JVGUIKDKHOWFSD-QPPBQGQZSA-N 1 2 404.558 3.695 20 30 HHEDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000532828127 1007212005 /nfs/dbraw/zinc/21/20/05/1007212005.db2.gz XIQAYLQJOQZRIG-UHFFFAOYSA-N 1 2 405.523 3.911 20 30 HHEDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000532828127 1007212017 /nfs/dbraw/zinc/21/20/17/1007212017.db2.gz XIQAYLQJOQZRIG-UHFFFAOYSA-N 1 2 405.523 3.911 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000532918304 1007290471 /nfs/dbraw/zinc/29/04/71/1007290471.db2.gz SWCFUOSZUGZRCH-SFHVURJKSA-N 1 2 410.484 3.509 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000532918304 1007290482 /nfs/dbraw/zinc/29/04/82/1007290482.db2.gz SWCFUOSZUGZRCH-SFHVURJKSA-N 1 2 410.484 3.509 20 30 HHEDLO CCOC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000532923686 1007294830 /nfs/dbraw/zinc/29/48/30/1007294830.db2.gz PUJQHGSRKJMEAX-INIZCTEOSA-N 1 2 403.548 3.542 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000532963504 1007330607 /nfs/dbraw/zinc/33/06/07/1007330607.db2.gz JUIHJZZTVZINPQ-FTUXVVSKSA-N 1 2 409.599 3.982 20 30 HHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC000533400782 1007711684 /nfs/dbraw/zinc/71/16/84/1007711684.db2.gz SDXQZSHYRQGOAK-NRFANRHFSA-N 1 2 408.889 3.598 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c1C#N ZINC000533475562 1007783355 /nfs/dbraw/zinc/78/33/55/1007783355.db2.gz PGKOKBHEMGHHNU-UHFFFAOYSA-N 1 2 408.546 3.853 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1OC ZINC000535823071 1007837352 /nfs/dbraw/zinc/83/73/52/1007837352.db2.gz DVOYIJPKPVOSIC-DOTOQJQBSA-N 1 2 414.365 3.729 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1OC ZINC000535823071 1007837365 /nfs/dbraw/zinc/83/73/65/1007837365.db2.gz DVOYIJPKPVOSIC-DOTOQJQBSA-N 1 2 414.365 3.729 20 30 HHEDLO C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000517893481 1008041540 /nfs/dbraw/zinc/04/15/40/1008041540.db2.gz NYBGQSRDUYHTGH-RTBURBONSA-N 1 2 422.529 3.562 20 30 HHEDLO C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000517893478 1008041583 /nfs/dbraw/zinc/04/15/83/1008041583.db2.gz NYBGQSRDUYHTGH-MOPGFXCFSA-N 1 2 422.529 3.562 20 30 HHEDLO CCOc1ccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1OCC ZINC000517908777 1008051315 /nfs/dbraw/zinc/05/13/15/1008051315.db2.gz KXVVUPAQFPDCBM-UHFFFAOYSA-N 1 2 423.513 3.838 20 30 HHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000533763458 1008088710 /nfs/dbraw/zinc/08/87/10/1008088710.db2.gz OFTJKOKBCHFSOY-GOSISDBHSA-N 1 2 414.469 3.565 20 30 HHEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000533767917 1008092952 /nfs/dbraw/zinc/09/29/52/1008092952.db2.gz SOVNHOFQUVZSKA-AWEZNQCLSA-N 1 2 407.539 3.739 20 30 HHEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000533767917 1008092958 /nfs/dbraw/zinc/09/29/58/1008092958.db2.gz SOVNHOFQUVZSKA-AWEZNQCLSA-N 1 2 407.539 3.739 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000533810317 1008127837 /nfs/dbraw/zinc/12/78/37/1008127837.db2.gz NGAOBEYZTOULLG-UHFFFAOYSA-N 1 2 424.570 3.912 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256110 1008228728 /nfs/dbraw/zinc/22/87/28/1008228728.db2.gz ZSLBXALUQRXVPN-OAHLLOKOSA-N 1 2 405.437 3.601 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256110 1008228729 /nfs/dbraw/zinc/22/87/29/1008228729.db2.gz ZSLBXALUQRXVPN-OAHLLOKOSA-N 1 2 405.437 3.601 20 30 HHEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000543020864 1008598925 /nfs/dbraw/zinc/59/89/25/1008598925.db2.gz IZYQKVAYCLJHQU-HNNXBMFYSA-N 1 2 405.889 3.783 20 30 HHEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@H+]1CCc2ccccc2C1 ZINC000543020864 1008598932 /nfs/dbraw/zinc/59/89/32/1008598932.db2.gz IZYQKVAYCLJHQU-HNNXBMFYSA-N 1 2 405.889 3.783 20 30 HHEDLO COc1ccc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c(Br)c1O ZINC000519844226 1009027599 /nfs/dbraw/zinc/02/75/99/1009027599.db2.gz DPQWCAISWBZLOX-UHFFFAOYSA-N 1 2 405.292 3.684 20 30 HHEDLO COc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(Br)c1O ZINC000519844226 1009027612 /nfs/dbraw/zinc/02/76/12/1009027612.db2.gz DPQWCAISWBZLOX-UHFFFAOYSA-N 1 2 405.292 3.684 20 30 HHEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Br)c4cccnc34)CC2)n1 ZINC000546212232 1009237057 /nfs/dbraw/zinc/23/70/57/1009237057.db2.gz HJKVYENOMXJLLI-UHFFFAOYSA-N 1 2 408.303 3.586 20 30 HHEDLO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549689997 1009320117 /nfs/dbraw/zinc/32/01/17/1009320117.db2.gz GAGWLXYZSDXRMY-UHFFFAOYSA-N 1 2 413.529 3.648 20 30 HHEDLO CCN(CC)C(=O)CCC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000543874700 1009445462 /nfs/dbraw/zinc/44/54/62/1009445462.db2.gz LBQGERHSKOWZHH-UHFFFAOYSA-N 1 2 404.580 3.536 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000520547532 1009632960 /nfs/dbraw/zinc/63/29/60/1009632960.db2.gz OLZBYJZDRCXUQC-SFHVURJKSA-N 1 2 423.513 3.758 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000520547531 1009633044 /nfs/dbraw/zinc/63/30/44/1009633044.db2.gz OLZBYJZDRCXUQC-GOSISDBHSA-N 1 2 423.513 3.758 20 30 HHEDLO Cc1cn(C2CCCCC2)nc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000544240084 1009850917 /nfs/dbraw/zinc/85/09/17/1009850917.db2.gz GDIJSRQRLSRVCB-UHFFFAOYSA-N 1 2 406.534 3.918 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1C ZINC000547346052 1010263161 /nfs/dbraw/zinc/26/31/61/1010263161.db2.gz LJEQARIGBAPVMP-HXUWFJFHSA-N 1 2 411.468 3.575 20 30 HHEDLO Cc1nc(SCC(=O)NCc2ccccc2Cn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000551339418 1010525407 /nfs/dbraw/zinc/52/54/07/1010525407.db2.gz RBADLBXDOPEHRA-UHFFFAOYSA-N 1 2 405.527 3.532 20 30 HHEDLO Cc1nc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)ccc1C#N ZINC000521794222 1010623700 /nfs/dbraw/zinc/62/37/00/1010623700.db2.gz NWVBXWSOBHYEHT-UHFFFAOYSA-N 1 2 403.313 3.963 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000548615421 1010683283 /nfs/dbraw/zinc/68/32/83/1010683283.db2.gz YUCWSCLTEOPGQL-MOPGFXCFSA-N 1 2 404.297 3.667 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000548615421 1010683288 /nfs/dbraw/zinc/68/32/88/1010683288.db2.gz YUCWSCLTEOPGQL-MOPGFXCFSA-N 1 2 404.297 3.667 20 30 HHEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000522163516 1010842072 /nfs/dbraw/zinc/84/20/72/1010842072.db2.gz VHGMMMKKCBFUJE-UHFFFAOYSA-N 1 2 423.492 3.590 20 30 HHEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000522163516 1010842078 /nfs/dbraw/zinc/84/20/78/1010842078.db2.gz VHGMMMKKCBFUJE-UHFFFAOYSA-N 1 2 423.492 3.590 20 30 HHEDLO Cc1cc(N2CCN(C(=O)CS[C@H](C)c3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000522841028 1011278205 /nfs/dbraw/zinc/27/82/05/1011278205.db2.gz IHVDRRMNMNCRIR-GOSISDBHSA-N 1 2 423.586 3.923 20 30 HHEDLO Cc1cc(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nn1CCC#N ZINC000540816831 1011477390 /nfs/dbraw/zinc/47/73/90/1011477390.db2.gz NWMBHACFGVOBGQ-QGZVFWFLSA-N 1 2 418.904 3.856 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000536454043 1011673740 /nfs/dbraw/zinc/67/37/40/1011673740.db2.gz PPAGRDSYZUJQNG-UHFFFAOYSA-N 1 2 403.486 3.616 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000536454043 1011673746 /nfs/dbraw/zinc/67/37/46/1011673746.db2.gz PPAGRDSYZUJQNG-UHFFFAOYSA-N 1 2 403.486 3.616 20 30 HHEDLO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000541098009 1011744045 /nfs/dbraw/zinc/74/40/45/1011744045.db2.gz FCMHBWTVPUVKHG-KBXCAEBGSA-N 1 2 409.881 3.709 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)c1 ZINC000536745259 1011929114 /nfs/dbraw/zinc/92/91/14/1011929114.db2.gz LXOBCZBPEHQAAE-INIZCTEOSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)c1 ZINC000536745259 1011929123 /nfs/dbraw/zinc/92/91/23/1011929123.db2.gz LXOBCZBPEHQAAE-INIZCTEOSA-N 1 2 415.375 3.675 20 30 HHEDLO COc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000541294870 1011996688 /nfs/dbraw/zinc/99/66/88/1011996688.db2.gz ZZKOVEUHISKCGP-HSZRJFAPSA-N 1 2 424.497 3.989 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3F)CC2)cc1OCCCC#N ZINC000552041701 1012062168 /nfs/dbraw/zinc/06/21/68/1012062168.db2.gz GWLKQDPTXSAYGO-UHFFFAOYSA-N 1 2 401.457 3.978 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000541593386 1012384349 /nfs/dbraw/zinc/38/43/49/1012384349.db2.gz GXZCZKFHVDXPFM-MOPGFXCFSA-N 1 2 404.297 3.667 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000541593386 1012384365 /nfs/dbraw/zinc/38/43/65/1012384365.db2.gz GXZCZKFHVDXPFM-MOPGFXCFSA-N 1 2 404.297 3.667 20 30 HHEDLO N#CCc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000552807726 1012813482 /nfs/dbraw/zinc/81/34/82/1012813482.db2.gz RTUYYRFBSZTMCL-UHFFFAOYSA-N 1 2 413.275 3.647 20 30 HHEDLO CCOC(=O)c1sc2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)nc(N)c2c1C ZINC000552812908 1012819904 /nfs/dbraw/zinc/81/99/04/1012819904.db2.gz HYVLYFCTSKYQAE-UHFFFAOYSA-N 1 2 421.526 3.795 20 30 HHEDLO CCOC(=O)c1sc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)nc(N)c2c1C ZINC000552812908 1012819910 /nfs/dbraw/zinc/81/99/10/1012819910.db2.gz HYVLYFCTSKYQAE-UHFFFAOYSA-N 1 2 421.526 3.795 20 30 HHEDLO COCC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccc(C#N)cc1 ZINC000541999685 1012878636 /nfs/dbraw/zinc/87/86/36/1012878636.db2.gz SJGDSKWXFLLZSB-UHFFFAOYSA-N 1 2 405.454 3.648 20 30 HHEDLO COCC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)Cc1ccc(C#N)cc1 ZINC000541999685 1012878649 /nfs/dbraw/zinc/87/86/49/1012878649.db2.gz SJGDSKWXFLLZSB-UHFFFAOYSA-N 1 2 405.454 3.648 20 30 HHEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000488212662 1072139421 /nfs/dbraw/zinc/13/94/21/1072139421.db2.gz CIOBDKCQVQVFEU-ZOCIIQOWSA-N 1 2 409.933 3.592 20 30 HHEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000488212662 1072139424 /nfs/dbraw/zinc/13/94/24/1072139424.db2.gz CIOBDKCQVQVFEU-ZOCIIQOWSA-N 1 2 409.933 3.592 20 30 HHEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC001168325688 1072506080 /nfs/dbraw/zinc/50/60/80/1072506080.db2.gz YVFIFWZKZQKGSE-UHFFFAOYSA-N 1 2 400.320 3.647 20 30 HHEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000571532865 1072663955 /nfs/dbraw/zinc/66/39/55/1072663955.db2.gz LTCRPIJEHXJMLD-UHFFFAOYSA-N 1 2 412.449 3.905 20 30 HHEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000555093003 1073141370 /nfs/dbraw/zinc/14/13/70/1073141370.db2.gz MGDJPBGJRUDVOU-UHFFFAOYSA-N 1 2 418.419 3.996 20 30 HHEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000555093003 1073141372 /nfs/dbraw/zinc/14/13/72/1073141372.db2.gz MGDJPBGJRUDVOU-UHFFFAOYSA-N 1 2 418.419 3.996 20 30 HHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(C(F)(F)F)ccc1Br ZINC000555093598 1073143163 /nfs/dbraw/zinc/14/31/63/1073143163.db2.gz XBZFHLXOBXGQGO-UHFFFAOYSA-N 1 2 420.273 3.516 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCCc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000574317173 1075219540 /nfs/dbraw/zinc/21/95/40/1075219540.db2.gz LUNWREQALHZKPA-PZJWPPBQSA-N 1 2 416.447 3.653 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCCc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000574317173 1075219541 /nfs/dbraw/zinc/21/95/41/1075219541.db2.gz LUNWREQALHZKPA-PZJWPPBQSA-N 1 2 416.447 3.653 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3cc(Cl)ccc3C#N)CC2)cc(OC)c1OC ZINC000301561191 970980248 /nfs/dbraw/zinc/98/02/48/970980248.db2.gz IJCWUYHPYMVRNU-UHFFFAOYSA-N 1 2 401.894 3.560 20 30 HHEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303717630 971974684 /nfs/dbraw/zinc/97/46/84/971974684.db2.gz VONYZYDKAKTASK-UHFFFAOYSA-N 1 2 400.338 3.991 20 30 HHEDLO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303717630 971974686 /nfs/dbraw/zinc/97/46/86/971974686.db2.gz VONYZYDKAKTASK-UHFFFAOYSA-N 1 2 400.338 3.991 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000007927442 961374990 /nfs/dbraw/zinc/37/49/90/961374990.db2.gz OPJHRQMJEBYWOP-MRXNPFEDSA-N 1 2 401.557 3.983 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000007927442 961375003 /nfs/dbraw/zinc/37/50/03/961375003.db2.gz OPJHRQMJEBYWOP-MRXNPFEDSA-N 1 2 401.557 3.983 20 30 HHEDLO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000542563932 1013505197 /nfs/dbraw/zinc/50/51/97/1013505197.db2.gz JNKHGGAZJKUQRN-CYBMUJFWSA-N 1 2 403.451 3.548 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000027775198 964970579 /nfs/dbraw/zinc/97/05/79/964970579.db2.gz SFFWPPRJAQEWSN-UHFFFAOYSA-N 1 2 404.264 3.984 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1 ZINC000027775198 964970592 /nfs/dbraw/zinc/97/05/92/964970592.db2.gz SFFWPPRJAQEWSN-UHFFFAOYSA-N 1 2 404.264 3.984 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000027894122 964993493 /nfs/dbraw/zinc/99/34/93/964993493.db2.gz HEKIRIORRFLBIE-UHFFFAOYSA-N 1 2 418.522 3.560 20 30 HHEDLO Cc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000029984995 965584399 /nfs/dbraw/zinc/58/43/99/965584399.db2.gz UFSVTZYVPIBNIC-UHFFFAOYSA-N 1 2 403.526 3.873 20 30 HHEDLO Cc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000029984995 965584408 /nfs/dbraw/zinc/58/44/08/965584408.db2.gz UFSVTZYVPIBNIC-UHFFFAOYSA-N 1 2 403.526 3.873 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000058444378 965733485 /nfs/dbraw/zinc/73/34/85/965733485.db2.gz WJZVKTGXPDKZBT-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000058444378 965733497 /nfs/dbraw/zinc/73/34/97/965733497.db2.gz WJZVKTGXPDKZBT-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)sc2C1 ZINC000055127214 965763595 /nfs/dbraw/zinc/76/35/95/965763595.db2.gz JZCDKIYUZOHGTO-UHFFFAOYSA-N 1 2 404.495 3.834 20 30 HHEDLO C[N@H+]1CCc2nc(NC(=O)c3cccc(OCc4ccccc4C#N)c3)sc2C1 ZINC000055127214 965763604 /nfs/dbraw/zinc/76/36/04/965763604.db2.gz JZCDKIYUZOHGTO-UHFFFAOYSA-N 1 2 404.495 3.834 20 30 HHEDLO NC(=[NH+]OCC(=O)Nc1ccc(F)c(F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000060100311 966062720 /nfs/dbraw/zinc/06/27/20/966062720.db2.gz IXGYYWGHMFNPLP-UHFFFAOYSA-N 1 2 411.408 3.819 20 30 HHEDLO N#Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1OCC(F)(F)F ZINC000060690631 966260943 /nfs/dbraw/zinc/26/09/43/966260943.db2.gz DORXJKSMGBPPOU-UHFFFAOYSA-N 1 2 400.360 3.996 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000056802110 966469413 /nfs/dbraw/zinc/46/94/13/966469413.db2.gz LEXVXFAQFOTHRL-UHFFFAOYSA-N 1 2 408.506 3.533 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000061761588 966543168 /nfs/dbraw/zinc/54/31/68/966543168.db2.gz UAYFVUCHQQWMDY-UHFFFAOYSA-N 1 2 401.576 3.628 20 30 HHEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+](Cc2cccs2)Cc2cccs2)CC1 ZINC000538095144 1013666159 /nfs/dbraw/zinc/66/61/59/1013666159.db2.gz FAPBYMFEVOJHDI-HXUWFJFHSA-N 1 2 416.616 3.504 20 30 HHEDLO CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000044031569 967099835 /nfs/dbraw/zinc/09/98/35/967099835.db2.gz DEINOVIJLNMJGB-UHFFFAOYSA-N 1 2 419.529 3.893 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000538147950 1013707463 /nfs/dbraw/zinc/70/74/63/1013707463.db2.gz RTBUZZOVKMDGRZ-IAGOWNOFSA-N 1 2 424.574 3.683 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000538147950 1013707469 /nfs/dbraw/zinc/70/74/69/1013707469.db2.gz RTBUZZOVKMDGRZ-IAGOWNOFSA-N 1 2 424.574 3.683 20 30 HHEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3)n(-c3ccc(C)cc3)c2=S)CC1 ZINC000044756543 967280447 /nfs/dbraw/zinc/28/04/47/967280447.db2.gz OQAZUGHLINPZNE-UHFFFAOYSA-N 1 2 403.555 3.587 20 30 HHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCc2ccc(C#N)cc2)cc1 ZINC000046048624 967648106 /nfs/dbraw/zinc/64/81/06/967648106.db2.gz BOOKAWZTQPYEBC-UHFFFAOYSA-N 1 2 417.513 3.956 20 30 HHEDLO CCCc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]c(C)c1C(C)=O ZINC000048346119 968526310 /nfs/dbraw/zinc/52/63/10/968526310.db2.gz VBRDNIMBLMLTDW-UHFFFAOYSA-N 1 2 406.530 3.698 20 30 HHEDLO CCCc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]c(C)c1C(C)=O ZINC000048346119 968526315 /nfs/dbraw/zinc/52/63/15/968526315.db2.gz VBRDNIMBLMLTDW-UHFFFAOYSA-N 1 2 406.530 3.698 20 30 HHEDLO Cc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cc1F ZINC000097571420 969165431 /nfs/dbraw/zinc/16/54/31/969165431.db2.gz BKUIBXCBACWFTM-MRXNPFEDSA-N 1 2 422.460 3.772 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H](C)C(=O)Nc3ccc(C)cc3F)c2)n1 ZINC000097571575 969166157 /nfs/dbraw/zinc/16/61/57/969166157.db2.gz PYQJWVMJVJMZDK-QGZVFWFLSA-N 1 2 423.492 3.660 20 30 HHEDLO CCCCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nnc1[C@H](CC)[NH+](C)C ZINC000195538677 970499550 /nfs/dbraw/zinc/49/95/50/970499550.db2.gz RLIHBTUBXKMGCJ-IRXDYDNUSA-N 1 2 420.627 3.914 20 30 HHEDLO CCCCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000195538675 970499853 /nfs/dbraw/zinc/49/98/53/970499853.db2.gz RLIHBTUBXKMGCJ-IAGOWNOFSA-N 1 2 420.627 3.914 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409877535 973344681 /nfs/dbraw/zinc/34/46/81/973344681.db2.gz SDMSCZKMBNFDSG-FPOVZHCZSA-N 1 2 423.879 3.712 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409877535 973344692 /nfs/dbraw/zinc/34/46/92/973344692.db2.gz SDMSCZKMBNFDSG-FPOVZHCZSA-N 1 2 423.879 3.712 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1 ZINC000426211617 974315691 /nfs/dbraw/zinc/31/56/91/974315691.db2.gz CVPBFWIWAYAQJW-JPYJTQIMSA-N 1 2 406.530 3.696 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1 ZINC000426211617 974315699 /nfs/dbraw/zinc/31/56/99/974315699.db2.gz CVPBFWIWAYAQJW-JPYJTQIMSA-N 1 2 406.530 3.696 20 30 HHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000426627088 974570987 /nfs/dbraw/zinc/57/09/87/974570987.db2.gz ZYVJFYIZVMYOQI-ZDUSSCGKSA-N 1 2 423.464 3.622 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000426762203 974641297 /nfs/dbraw/zinc/64/12/97/974641297.db2.gz IGGABNUCIOOAGK-HXUWFJFHSA-N 1 2 403.935 3.547 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCO1 ZINC000427742833 975263452 /nfs/dbraw/zinc/26/34/52/975263452.db2.gz ROUZQTZKOXQIPY-SFHVURJKSA-N 1 2 413.905 3.845 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCO1 ZINC000427742833 975263457 /nfs/dbraw/zinc/26/34/57/975263457.db2.gz ROUZQTZKOXQIPY-SFHVURJKSA-N 1 2 413.905 3.845 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)nc1 ZINC000428805348 976084032 /nfs/dbraw/zinc/08/40/32/976084032.db2.gz NIXBCDYXPYOUBF-QFIPXVFZSA-N 1 2 414.465 3.837 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)nc1 ZINC000428805348 976084041 /nfs/dbraw/zinc/08/40/41/976084041.db2.gz NIXBCDYXPYOUBF-QFIPXVFZSA-N 1 2 414.465 3.837 20 30 HHEDLO N#CCSc1cccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000430723600 977712295 /nfs/dbraw/zinc/71/22/95/977712295.db2.gz KCCKNASDOFZRLS-UHFFFAOYSA-N 1 2 415.946 3.792 20 30 HHEDLO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000431162085 978062975 /nfs/dbraw/zinc/06/29/75/978062975.db2.gz QVKFTGCFXGCUMD-KRWDZBQOSA-N 1 2 424.570 3.964 20 30 HHEDLO N#CCCC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000431783237 978509937 /nfs/dbraw/zinc/50/99/37/978509937.db2.gz ROOLPCWKTVREJM-QHCPKHFHSA-N 1 2 406.530 3.753 20 30 HHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2)cc1 ZINC000432731768 978952319 /nfs/dbraw/zinc/95/23/19/978952319.db2.gz ZYGHIAQXWIULBS-HXUWFJFHSA-N 1 2 406.486 3.679 20 30 HHEDLO N#CCCCOc1cccnc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433849138 979624889 /nfs/dbraw/zinc/62/48/89/979624889.db2.gz ZRFKJKCIHANDBY-UHFFFAOYSA-N 1 2 408.506 3.708 20 30 HHEDLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)C(=O)N(C)CCC#N ZINC000434525625 980228134 /nfs/dbraw/zinc/22/81/34/980228134.db2.gz GXDBHOUXIHFIIV-CABCVRRESA-N 1 2 412.456 3.505 20 30 HHEDLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)C(=O)N(C)CCC#N ZINC000434525625 980228141 /nfs/dbraw/zinc/22/81/41/980228141.db2.gz GXDBHOUXIHFIIV-CABCVRRESA-N 1 2 412.456 3.505 20 30 HHEDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000434752531 980379493 /nfs/dbraw/zinc/37/94/93/980379493.db2.gz NLJXGBZZSCZJAH-KRWDZBQOSA-N 1 2 411.575 3.973 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000434856791 980451200 /nfs/dbraw/zinc/45/12/00/980451200.db2.gz UTUQBMOZGPUQJI-QUCCMNQESA-N 1 2 420.444 3.841 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000434856791 980451202 /nfs/dbraw/zinc/45/12/02/980451202.db2.gz UTUQBMOZGPUQJI-QUCCMNQESA-N 1 2 420.444 3.841 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cccc(C#N)c2)n1CC ZINC000460200750 981974939 /nfs/dbraw/zinc/97/49/39/981974939.db2.gz FSUDLBCKZINGAQ-UHFFFAOYSA-N 1 2 415.545 3.975 20 30 HHEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)cc1F ZINC000437426327 982065522 /nfs/dbraw/zinc/06/55/22/982065522.db2.gz IOTKFYXKPPVQLZ-UHFFFAOYSA-N 1 2 405.420 3.625 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000437779214 982351791 /nfs/dbraw/zinc/35/17/91/982351791.db2.gz BJYXJDZTZWZXGK-HSGBFHSBSA-N 1 2 411.468 3.520 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000437779214 982351797 /nfs/dbraw/zinc/35/17/97/982351797.db2.gz BJYXJDZTZWZXGK-HSGBFHSBSA-N 1 2 411.468 3.520 20 30 HHEDLO C=C(C)Cn1c([C@H]2CCCO2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460774263 982527040 /nfs/dbraw/zinc/52/70/40/982527040.db2.gz XISVKCHIHYTTBI-HXUWFJFHSA-N 1 2 410.566 3.844 20 30 HHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000438550864 982890706 /nfs/dbraw/zinc/89/07/06/982890706.db2.gz CVYSFBMCPUSKDY-LPHOPBHVSA-N 1 2 404.297 3.935 20 30 HHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000438550864 982890718 /nfs/dbraw/zinc/89/07/18/982890718.db2.gz CVYSFBMCPUSKDY-LPHOPBHVSA-N 1 2 404.297 3.935 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)cc1 ZINC000439317038 983361921 /nfs/dbraw/zinc/36/19/21/983361921.db2.gz MAOGURNKMKYQDW-UHFFFAOYSA-N 1 2 406.910 3.946 20 30 HHEDLO N#CCC[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000439667298 983492413 /nfs/dbraw/zinc/49/24/13/983492413.db2.gz AIQVTOYBSAJBAO-OAQYLSRUSA-N 1 2 401.470 3.687 20 30 HHEDLO CCCc1c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cnn1-c1cccc(C#N)c1 ZINC000439682173 983499353 /nfs/dbraw/zinc/49/93/53/983499353.db2.gz LJCVTPHPBJOSIQ-UHFFFAOYSA-N 1 2 417.517 3.593 20 30 HHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCCC1 ZINC000441069517 984054379 /nfs/dbraw/zinc/05/43/79/984054379.db2.gz WDTFOAWTXSXNGL-ZDUSSCGKSA-N 1 2 400.470 3.684 20 30 HHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCCCC1 ZINC000441069517 984054389 /nfs/dbraw/zinc/05/43/89/984054389.db2.gz WDTFOAWTXSXNGL-ZDUSSCGKSA-N 1 2 400.470 3.684 20 30 HHEDLO COc1cccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]2CCCO2)c1 ZINC000441235190 984130456 /nfs/dbraw/zinc/13/04/56/984130456.db2.gz RUUKCTGCJDQMJI-NRFANRHFSA-N 1 2 404.470 3.798 20 30 HHEDLO COc1cccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]2CCCO2)c1 ZINC000441235190 984130458 /nfs/dbraw/zinc/13/04/58/984130458.db2.gz RUUKCTGCJDQMJI-NRFANRHFSA-N 1 2 404.470 3.798 20 30 HHEDLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000441447150 984256593 /nfs/dbraw/zinc/25/65/93/984256593.db2.gz ZJNKMCKOGYGHEF-OAQYLSRUSA-N 1 2 415.484 3.993 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000441471752 984269320 /nfs/dbraw/zinc/26/93/20/984269320.db2.gz LPFRDDRPAMFQAN-IBGZPJMESA-N 1 2 403.526 3.721 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000441471752 984269322 /nfs/dbraw/zinc/26/93/22/984269322.db2.gz LPFRDDRPAMFQAN-IBGZPJMESA-N 1 2 403.526 3.721 20 30 HHEDLO N#C[C@H]1CCC[C@@H]1NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000461941995 984943798 /nfs/dbraw/zinc/94/37/98/984943798.db2.gz ADFPWVZYKBHUMK-BEFAXECRSA-N 1 2 403.889 3.970 20 30 HHEDLO Cc1ccccc1-c1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000462075940 985048518 /nfs/dbraw/zinc/04/85/18/985048518.db2.gz MWDCNYKHJBVFJP-UHFFFAOYSA-N 1 2 414.513 3.617 20 30 HHEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000462190619 985172880 /nfs/dbraw/zinc/17/28/80/985172880.db2.gz MLWVLOJHCQQEEI-QHCPKHFHSA-N 1 2 412.917 3.991 20 30 HHEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c2ccccc21 ZINC000462230742 985211525 /nfs/dbraw/zinc/21/15/25/985211525.db2.gz IYDRJUYGVWLXMA-UHFFFAOYSA-N 1 2 403.486 3.878 20 30 HHEDLO N#Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c(C(F)(F)F)c1 ZINC000462383467 985366223 /nfs/dbraw/zinc/36/62/23/985366223.db2.gz FOSKZKZBQIDECB-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO C=C(C)[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000443202573 985440967 /nfs/dbraw/zinc/44/09/67/985440967.db2.gz XOXFZICYMXCGAH-FQEVSTJZSA-N 1 2 403.454 3.805 20 30 HHEDLO COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccc2OC)cc1 ZINC000443462247 985636279 /nfs/dbraw/zinc/63/62/79/985636279.db2.gz GYVREHSCGYCFSS-RUZDIDTESA-N 1 2 415.493 3.571 20 30 HHEDLO COc1ccc([C@@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccc2OC)cc1 ZINC000443464190 985638648 /nfs/dbraw/zinc/63/86/48/985638648.db2.gz VFRLEBXPVWPFJL-RUZDIDTESA-N 1 2 415.493 3.571 20 30 HHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(Br)cn1C ZINC000468070417 985728573 /nfs/dbraw/zinc/72/85/73/985728573.db2.gz UUPNTVYYUOTFCI-HVEKOLDVSA-N 1 2 409.372 3.539 20 30 HHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468070417 985728578 /nfs/dbraw/zinc/72/85/78/985728578.db2.gz UUPNTVYYUOTFCI-HVEKOLDVSA-N 1 2 409.372 3.539 20 30 HHEDLO Cc1oc(NC(=O)CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c(C#N)c1C ZINC000444170244 986345813 /nfs/dbraw/zinc/34/58/13/986345813.db2.gz MDGIUDUJCNKXAF-OAHLLOKOSA-N 1 2 400.910 3.739 20 30 HHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000444172110 986348227 /nfs/dbraw/zinc/34/82/27/986348227.db2.gz ZQFBXEQQIUPGQI-VGSWGCGISA-N 1 2 408.933 3.696 20 30 HHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(CCC#N)Cc2ccccn2)C[C@H](C)O1 ZINC000444643826 986829086 /nfs/dbraw/zinc/82/90/86/986829086.db2.gz UPJQRYMYGKXXFC-OALUTQOASA-N 1 2 407.518 3.639 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(OC)c1 ZINC000470199447 988120979 /nfs/dbraw/zinc/12/09/79/988120979.db2.gz YTYNDPSFDQICGQ-ZWDAVXSWSA-N 1 2 403.544 3.687 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(OC)c1 ZINC000470199447 988120983 /nfs/dbraw/zinc/12/09/83/988120983.db2.gz YTYNDPSFDQICGQ-ZWDAVXSWSA-N 1 2 403.544 3.687 20 30 HHEDLO C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000470537534 988542880 /nfs/dbraw/zinc/54/28/80/988542880.db2.gz LRYMPHPHHIMCGK-UTKZUKDTSA-N 1 2 420.517 3.581 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1O ZINC000471181835 989312914 /nfs/dbraw/zinc/31/29/14/989312914.db2.gz IHJBRXJDNXJHEN-UHFFFAOYSA-N 1 2 418.497 3.751 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1O ZINC000471181835 989312928 /nfs/dbraw/zinc/31/29/28/989312928.db2.gz IHJBRXJDNXJHEN-UHFFFAOYSA-N 1 2 418.497 3.751 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471935459 990100817 /nfs/dbraw/zinc/10/08/17/990100817.db2.gz SAXWMIXYPHNHKO-IEBWSBKVSA-N 1 2 418.904 3.855 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471935459 990100822 /nfs/dbraw/zinc/10/08/22/990100822.db2.gz SAXWMIXYPHNHKO-IEBWSBKVSA-N 1 2 418.904 3.855 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472427699 993427193 /nfs/dbraw/zinc/42/71/93/993427193.db2.gz SGLLRBUZWWPVFU-JRGCBEDISA-N 1 2 410.880 3.595 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472427699 993427199 /nfs/dbraw/zinc/42/71/99/993427199.db2.gz SGLLRBUZWWPVFU-JRGCBEDISA-N 1 2 410.880 3.595 20 30 HHEDLO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481416073 994250929 /nfs/dbraw/zinc/25/09/29/994250929.db2.gz HCRSOIJADCXJCA-XCLFUZPHSA-N 1 2 411.868 3.790 20 30 HHEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000482524816 995533718 /nfs/dbraw/zinc/53/37/18/995533718.db2.gz IZAPGCCHDAUUOD-YLJYHZDGSA-N 1 2 406.486 3.677 20 30 HHEDLO N#CC1(NC(=O)CCC(=O)c2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000482572513 995577004 /nfs/dbraw/zinc/57/70/04/995577004.db2.gz FZUUQLKXGSFLPT-UHFFFAOYSA-N 1 2 411.452 3.602 20 30 HHEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1OC ZINC000474659991 995606318 /nfs/dbraw/zinc/60/63/18/995606318.db2.gz UZEWYVDJFPQAMX-UHFFFAOYSA-N 1 2 400.906 3.702 20 30 HHEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1OC ZINC000474659991 995606322 /nfs/dbraw/zinc/60/63/22/995606322.db2.gz UZEWYVDJFPQAMX-UHFFFAOYSA-N 1 2 400.906 3.702 20 30 HHEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000475404095 996118052 /nfs/dbraw/zinc/11/80/52/996118052.db2.gz YCAMVSZRVKHNTB-HNAYVOBHSA-N 1 2 414.550 3.551 20 30 HHEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000475404095 996118054 /nfs/dbraw/zinc/11/80/54/996118054.db2.gz YCAMVSZRVKHNTB-HNAYVOBHSA-N 1 2 414.550 3.551 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)C2 ZINC000475457771 996152564 /nfs/dbraw/zinc/15/25/64/996152564.db2.gz PBSQGIMQKPNXJC-SUMWQHHRSA-N 1 2 401.308 3.782 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)CC2 ZINC000475457771 996152571 /nfs/dbraw/zinc/15/25/71/996152571.db2.gz PBSQGIMQKPNXJC-SUMWQHHRSA-N 1 2 401.308 3.782 20 30 HHEDLO CC#CCCNC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000483412114 996161404 /nfs/dbraw/zinc/16/14/04/996161404.db2.gz FGMVZZRCRWKKMC-UHFFFAOYSA-N 1 2 405.542 3.533 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1OCC ZINC000483435026 996177277 /nfs/dbraw/zinc/17/72/77/996177277.db2.gz GDVAJMCEAPIKAB-MRXNPFEDSA-N 1 2 423.351 3.609 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1OCC ZINC000483435026 996177278 /nfs/dbraw/zinc/17/72/78/996177278.db2.gz GDVAJMCEAPIKAB-MRXNPFEDSA-N 1 2 423.351 3.609 20 30 HHEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000484553870 996886197 /nfs/dbraw/zinc/88/61/97/996886197.db2.gz CNFIPVWAKIDOQW-LJQANCHMSA-N 1 2 401.894 3.745 20 30 HHEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000484553870 996886208 /nfs/dbraw/zinc/88/62/08/996886208.db2.gz CNFIPVWAKIDOQW-LJQANCHMSA-N 1 2 401.894 3.745 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000476768241 997325782 /nfs/dbraw/zinc/32/57/82/997325782.db2.gz RKFXHAHZQBDKFH-UHFFFAOYSA-N 1 2 415.497 3.933 20 30 HHEDLO N#CCCCCNC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000485598321 998045493 /nfs/dbraw/zinc/04/54/93/998045493.db2.gz GFYSRDLONJGTIE-UHFFFAOYSA-N 1 2 420.557 3.814 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000485657044 998106201 /nfs/dbraw/zinc/10/62/01/998106201.db2.gz LDCLOLXAXSTKDK-GHTZIAJQSA-N 1 2 402.441 3.713 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000485657044 998106203 /nfs/dbraw/zinc/10/62/03/998106203.db2.gz LDCLOLXAXSTKDK-GHTZIAJQSA-N 1 2 402.441 3.713 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485694886 998156190 /nfs/dbraw/zinc/15/61/90/998156190.db2.gz POZQWQXATXPHCM-GMAHTHKFSA-N 1 2 413.468 3.947 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485694886 998156195 /nfs/dbraw/zinc/15/61/95/998156195.db2.gz POZQWQXATXPHCM-GMAHTHKFSA-N 1 2 413.468 3.947 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000485694887 998156399 /nfs/dbraw/zinc/15/63/99/998156399.db2.gz POZQWQXATXPHCM-JTHBVZDNSA-N 1 2 413.468 3.947 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000485694887 998156407 /nfs/dbraw/zinc/15/64/07/998156407.db2.gz POZQWQXATXPHCM-JTHBVZDNSA-N 1 2 413.468 3.947 20 30 HHEDLO N#CCCCOc1cccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000485721438 998191788 /nfs/dbraw/zinc/19/17/88/998191788.db2.gz AFEPTDZGVHABFL-UHFFFAOYSA-N 1 2 411.453 3.562 20 30 HHEDLO N#CC1(CS(=O)(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC1 ZINC000477479661 998200474 /nfs/dbraw/zinc/20/04/74/998200474.db2.gz WACGMUQFTWZFRB-UHFFFAOYSA-N 1 2 416.374 3.571 20 30 HHEDLO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000485789428 998260366 /nfs/dbraw/zinc/26/03/66/998260366.db2.gz RAFKNRLGCLZUKP-XXBNENTESA-N 1 2 416.468 3.642 20 30 HHEDLO C=CCc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000485789428 998260369 /nfs/dbraw/zinc/26/03/69/998260369.db2.gz RAFKNRLGCLZUKP-XXBNENTESA-N 1 2 416.468 3.642 20 30 HHEDLO COCC[N@H+](Cc1nc2ccc(Br)cc2n1C)Cc1ccc(C#N)cc1 ZINC000485815794 998283447 /nfs/dbraw/zinc/28/34/47/998283447.db2.gz IFHBLFXNBDGJON-UHFFFAOYSA-N 1 2 413.319 3.856 20 30 HHEDLO COCC[N@@H+](Cc1nc2ccc(Br)cc2n1C)Cc1ccc(C#N)cc1 ZINC000485815794 998283453 /nfs/dbraw/zinc/28/34/53/998283453.db2.gz IFHBLFXNBDGJON-UHFFFAOYSA-N 1 2 413.319 3.856 20 30 HHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000486500837 998795782 /nfs/dbraw/zinc/79/57/82/998795782.db2.gz GDJVNSBTPQJYDQ-HOYKHHGWSA-N 1 2 419.573 3.700 20 30 HHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000486500837 998795788 /nfs/dbraw/zinc/79/57/88/998795788.db2.gz GDJVNSBTPQJYDQ-HOYKHHGWSA-N 1 2 419.573 3.700 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4cccc(Br)c43)CC2)cc1 ZINC000478174819 998803094 /nfs/dbraw/zinc/80/30/94/998803094.db2.gz IOIZOXHKVGJWHS-UHFFFAOYSA-N 1 2 423.314 3.760 20 30 HHEDLO Cc1c(Br)cccc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000478282792 998863148 /nfs/dbraw/zinc/86/31/48/998863148.db2.gz QGZGYYKYXXZLIH-UHFFFAOYSA-N 1 2 412.331 3.516 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488978783 999663079 /nfs/dbraw/zinc/66/30/79/999663079.db2.gz JWCZXTHBFBGIIA-LPHOPBHVSA-N 1 2 414.456 3.538 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488978783 999663083 /nfs/dbraw/zinc/66/30/83/999663083.db2.gz JWCZXTHBFBGIIA-LPHOPBHVSA-N 1 2 414.456 3.538 20 30 HHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000480114558 999720878 /nfs/dbraw/zinc/72/08/78/999720878.db2.gz DYSZKFGZDGKHIT-HXUWFJFHSA-N 1 2 407.539 3.646 20 30 HHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000492514946 1000130212 /nfs/dbraw/zinc/13/02/12/1000130212.db2.gz PFJPCTZAQUQOGG-QGZVFWFLSA-N 1 2 417.282 3.856 20 30 HHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000492514946 1000130214 /nfs/dbraw/zinc/13/02/14/1000130214.db2.gz PFJPCTZAQUQOGG-QGZVFWFLSA-N 1 2 417.282 3.856 20 30 HHEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000494216110 1000368946 /nfs/dbraw/zinc/36/89/46/1000368946.db2.gz MLRCOULBHWAAJP-UHFFFAOYSA-N 1 2 402.458 3.561 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494233274 1000377028 /nfs/dbraw/zinc/37/70/28/1000377028.db2.gz HJWSNWDRESJIDI-INIZCTEOSA-N 1 2 401.507 3.510 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494233274 1000377032 /nfs/dbraw/zinc/37/70/32/1000377032.db2.gz HJWSNWDRESJIDI-INIZCTEOSA-N 1 2 401.507 3.510 20 30 HHEDLO C=CC[N@@H+](C)CC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OCC ZINC000494670693 1000597721 /nfs/dbraw/zinc/59/77/21/1000597721.db2.gz GMYURURJNWVCGD-UHFFFAOYSA-N 1 2 415.515 3.542 20 30 HHEDLO C=CC[N@H+](C)CC(=O)Nc1sc(C(=O)Nc2ccccc2)c(C)c1C(=O)OCC ZINC000494670693 1000597724 /nfs/dbraw/zinc/59/77/24/1000597724.db2.gz GMYURURJNWVCGD-UHFFFAOYSA-N 1 2 415.515 3.542 20 30 HHEDLO C=CCc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc(OC)c1OC ZINC000505485576 1000811587 /nfs/dbraw/zinc/81/15/87/1000811587.db2.gz CZDRHIZFGUGOMG-GOSISDBHSA-N 1 2 424.541 3.960 20 30 HHEDLO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505541282 1000888876 /nfs/dbraw/zinc/88/88/76/1000888876.db2.gz WSPHEKZMGDGLCJ-ZWKOTPCHSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505541282 1000888881 /nfs/dbraw/zinc/88/88/81/1000888881.db2.gz WSPHEKZMGDGLCJ-ZWKOTPCHSA-N 1 2 404.297 3.575 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000505593844 1000925754 /nfs/dbraw/zinc/92/57/54/1000925754.db2.gz OIFQUBTXIJIKJF-LEWJYISDSA-N 1 2 413.468 3.584 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000505593844 1000925757 /nfs/dbraw/zinc/92/57/57/1000925757.db2.gz OIFQUBTXIJIKJF-LEWJYISDSA-N 1 2 413.468 3.584 20 30 HHEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000505944961 1001118631 /nfs/dbraw/zinc/11/86/31/1001118631.db2.gz XELORSYXMAKLCF-OAHLLOKOSA-N 1 2 415.331 3.794 20 30 HHEDLO C=CCc1cc(C[NH+]2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc(OC)c1O ZINC000506011956 1001161961 /nfs/dbraw/zinc/16/19/61/1001161961.db2.gz IUQDLUGMMBFWHK-UHFFFAOYSA-N 1 2 423.557 3.502 20 30 HHEDLO Cc1cc(CN2CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)on1 ZINC000506236021 1001297806 /nfs/dbraw/zinc/29/78/06/1001297806.db2.gz PHNGKICMAIZWGM-UHFFFAOYSA-N 1 2 402.498 3.752 20 30 HHEDLO CCOc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1OCC(F)(F)F ZINC000506248706 1001306090 /nfs/dbraw/zinc/30/60/90/1001306090.db2.gz YBHCMCPDCHLTLU-UHFFFAOYSA-N 1 2 420.435 3.615 20 30 HHEDLO CC(C)c1nc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)no1 ZINC000506264026 1001316057 /nfs/dbraw/zinc/31/60/57/1001316057.db2.gz MMTRZDOZXJUBTR-UHFFFAOYSA-N 1 2 415.925 3.973 20 30 HHEDLO N#CCCn1cc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c(-c2ccccc2)n1 ZINC000506478157 1001430716 /nfs/dbraw/zinc/43/07/16/1001430716.db2.gz RNULEMICFFEJKP-UHFFFAOYSA-N 1 2 417.488 3.561 20 30 HHEDLO C=CCOc1cccc(C[NH+]2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)c1 ZINC000506640046 1001479933 /nfs/dbraw/zinc/47/99/33/1001479933.db2.gz SOANTVQHYYZIHI-UHFFFAOYSA-N 1 2 420.513 3.628 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507039598 1001776376 /nfs/dbraw/zinc/77/63/76/1001776376.db2.gz NVSZJMVHPDRSCW-IBGZPJMESA-N 1 2 423.586 3.913 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(Br)cc3)CC2)cc1 ZINC000498582132 1001994638 /nfs/dbraw/zinc/99/46/38/1001994638.db2.gz DBTZBXHXHMNEEA-RTWAWAEBSA-N 1 2 424.342 3.769 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)CC2)cc1 ZINC000498582131 1001994744 /nfs/dbraw/zinc/99/47/44/1001994744.db2.gz DBTZBXHXHMNEEA-NHCUHLMSSA-N 1 2 424.342 3.769 20 30 HHEDLO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508491463 1002974577 /nfs/dbraw/zinc/97/45/77/1002974577.db2.gz GHVCSVWIVNHAJA-UHFFFAOYSA-N 1 2 418.932 3.978 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000508604159 1003059499 /nfs/dbraw/zinc/05/94/99/1003059499.db2.gz LYOMMBGPODSOGT-UHFFFAOYSA-N 1 2 414.412 3.772 20 30 HHEDLO Cc1[nH+]cc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1-c1ccccc1 ZINC000508625829 1003077283 /nfs/dbraw/zinc/07/72/83/1003077283.db2.gz ROMYYLVSYWABEA-UHFFFAOYSA-N 1 2 414.469 3.623 20 30 HHEDLO CCCCOc1ccc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000499772604 1003110426 /nfs/dbraw/zinc/11/04/26/1003110426.db2.gz LVRZBEHNJSDEOY-UHFFFAOYSA-N 1 2 420.557 3.807 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499942223 1003265596 /nfs/dbraw/zinc/26/55/96/1003265596.db2.gz XXJTUEOBUHXJPH-SUMWQHHRSA-N 1 2 421.925 3.993 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1C ZINC000499953215 1003274178 /nfs/dbraw/zinc/27/41/78/1003274178.db2.gz KJYLBBMFTHQVDP-SFHVURJKSA-N 1 2 403.885 3.666 20 30 HHEDLO CCCc1noc2nc(CC)cc(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c12 ZINC000499956481 1003276856 /nfs/dbraw/zinc/27/68/56/1003276856.db2.gz QWGVOKBMHFLMTR-UHFFFAOYSA-N 1 2 417.513 3.567 20 30 HHEDLO C=CCn1c(-c2sccc2C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000508862338 1003281880 /nfs/dbraw/zinc/28/18/80/1003281880.db2.gz DKUFWGGKVPCWAS-UHFFFAOYSA-N 1 2 400.577 3.588 20 30 HHEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000508881634 1003303540 /nfs/dbraw/zinc/30/35/40/1003303540.db2.gz RNWTZMWUQJIIBE-UHFFFAOYSA-N 1 2 401.530 3.523 20 30 HHEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1)C1CC1 ZINC000500127644 1003489043 /nfs/dbraw/zinc/48/90/43/1003489043.db2.gz DVWRXLKQNHQXIT-SFHVURJKSA-N 1 2 413.415 3.654 20 30 HHEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC000500591675 1003804738 /nfs/dbraw/zinc/80/47/38/1003804738.db2.gz MEVGHONTJJUWHT-LJQANCHMSA-N 1 2 413.525 3.670 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000511850190 1003829055 /nfs/dbraw/zinc/82/90/55/1003829055.db2.gz NTZBSNHPBLKYKP-FPOVZHCZSA-N 1 2 419.422 3.729 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000511850190 1003829077 /nfs/dbraw/zinc/82/90/77/1003829077.db2.gz NTZBSNHPBLKYKP-FPOVZHCZSA-N 1 2 419.422 3.729 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(OCc4ccccc4C#N)c3)n2)C1 ZINC000500890550 1004031791 /nfs/dbraw/zinc/03/17/91/1004031791.db2.gz MXYAPFRIIRBYCN-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(OCc4ccccc4C#N)c3)n2)C1 ZINC000500890550 1004031797 /nfs/dbraw/zinc/03/17/97/1004031797.db2.gz MXYAPFRIIRBYCN-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO C[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[NH+]1CCCCCC1 ZINC000509811550 1004116006 /nfs/dbraw/zinc/11/60/06/1004116006.db2.gz VIJRJRPZDJZMOG-AWEZNQCLSA-N 1 2 401.561 3.905 20 30 HHEDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000509972668 1004240386 /nfs/dbraw/zinc/24/03/86/1004240386.db2.gz CVSJWQHCQAJVJD-UHFFFAOYSA-N 1 2 406.530 3.739 20 30 HHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000512421532 1004287332 /nfs/dbraw/zinc/28/73/32/1004287332.db2.gz SSNHVOHHZAXVJD-HXUWFJFHSA-N 1 2 405.527 3.737 20 30 HHEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)c(C#N)c1C ZINC000501416085 1004405901 /nfs/dbraw/zinc/40/59/01/1004405901.db2.gz GSBPFXDQXCLAMW-MRXNPFEDSA-N 1 2 422.348 3.603 20 30 HHEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H](CO)c2cccc(Br)c2)c(C#N)c1C ZINC000501416085 1004405903 /nfs/dbraw/zinc/40/59/03/1004405903.db2.gz GSBPFXDQXCLAMW-MRXNPFEDSA-N 1 2 422.348 3.603 20 30 HHEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000510352469 1004502185 /nfs/dbraw/zinc/50/21/85/1004502185.db2.gz DUOHAABQGDOOHU-GOSISDBHSA-N 1 2 415.902 3.614 20 30 HHEDLO N#CCCN(C(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000501604483 1004546613 /nfs/dbraw/zinc/54/66/13/1004546613.db2.gz MHRHHFQCXIOZSU-WEVVVXLNSA-N 1 2 422.960 3.918 20 30 HHEDLO N#CC1(CS(=O)(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)CCCCC1 ZINC000510429868 1004561026 /nfs/dbraw/zinc/56/10/26/1004561026.db2.gz LMYOYWSJLNWMSU-IBGZPJMESA-N 1 2 401.532 3.504 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c(Cl)c1 ZINC000510443166 1004570404 /nfs/dbraw/zinc/57/04/04/1004570404.db2.gz KMKBCSOZPHJVRT-GOSISDBHSA-N 1 2 415.902 3.614 20 30 HHEDLO CCOc1ccccc1[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000510443313 1004570710 /nfs/dbraw/zinc/57/07/10/1004570710.db2.gz MMMVQXSMPYWOQT-QFIPXVFZSA-N 1 2 406.530 3.935 20 30 HHEDLO CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512821020 1004580804 /nfs/dbraw/zinc/58/08/04/1004580804.db2.gz AEGCWAISHSWIKI-MRXNPFEDSA-N 1 2 411.477 3.966 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)o2)cc1 ZINC000512839655 1004599428 /nfs/dbraw/zinc/59/94/28/1004599428.db2.gz JUOVTDLPKZGGPZ-UHFFFAOYSA-N 1 2 403.417 3.662 20 30 HHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000510789232 1004852839 /nfs/dbraw/zinc/85/28/39/1004852839.db2.gz ZJHRAAJLJNIUQI-UHFFFAOYSA-N 1 2 422.492 3.563 20 30 HHEDLO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH+]2CCC(F)(C#N)CC2)C1=O ZINC000510929533 1004938868 /nfs/dbraw/zinc/93/88/68/1004938868.db2.gz GJJXEJDNJBAWHB-MRXNPFEDSA-N 1 2 408.315 3.889 20 30 HHEDLO N#Cc1ccc(F)c(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510948445 1004948924 /nfs/dbraw/zinc/94/89/24/1004948924.db2.gz FFMVDWIUMPRONK-UHFFFAOYSA-N 1 2 403.255 3.952 20 30 HHEDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000511119612 1005027768 /nfs/dbraw/zinc/02/77/68/1005027768.db2.gz ATVFMOWXFLMCFW-UHFFFAOYSA-N 1 2 412.515 3.910 20 30 HHEDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000511119612 1005027773 /nfs/dbraw/zinc/02/77/73/1005027773.db2.gz ATVFMOWXFLMCFW-UHFFFAOYSA-N 1 2 412.515 3.910 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000502385039 1005049794 /nfs/dbraw/zinc/04/97/94/1005049794.db2.gz JKNCBFYZTQZGGR-UHFFFAOYSA-N 1 2 417.937 3.571 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000502385039 1005049802 /nfs/dbraw/zinc/04/98/02/1005049802.db2.gz JKNCBFYZTQZGGR-UHFFFAOYSA-N 1 2 417.937 3.571 20 30 HHEDLO CCOc1cc2c(cc1NC(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)O[C@@H](C)C2 ZINC000511179009 1005061273 /nfs/dbraw/zinc/06/12/73/1005061273.db2.gz XWJVBBGHPHMCLH-KRWDZBQOSA-N 1 2 420.513 3.630 20 30 HHEDLO N#Cc1cccc(OC2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)c1 ZINC000511259948 1005095959 /nfs/dbraw/zinc/09/59/59/1005095959.db2.gz QWYCFHBGYXSJNT-UHFFFAOYSA-N 1 2 419.529 3.697 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)n2)c(Cl)c1 ZINC000504258050 1005583920 /nfs/dbraw/zinc/58/39/20/1005583920.db2.gz MOKFKBDFTNCZAF-UHFFFAOYSA-N 1 2 402.845 3.894 20 30 HHEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000534010778 1005979070 /nfs/dbraw/zinc/97/90/70/1005979070.db2.gz VAHLBXFVSUEPNC-HXUWFJFHSA-N 1 2 423.941 3.853 20 30 HHEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)c2)cc1 ZINC000534037632 1006007300 /nfs/dbraw/zinc/00/73/00/1006007300.db2.gz PZUFJTVQWTVADO-HXUWFJFHSA-N 1 2 406.486 3.679 20 30 HHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000531587327 1006289345 /nfs/dbraw/zinc/28/93/45/1006289345.db2.gz LHEACPOJAVGOOT-GOSISDBHSA-N 1 2 419.529 3.697 20 30 HHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000531587327 1006289358 /nfs/dbraw/zinc/28/93/58/1006289358.db2.gz LHEACPOJAVGOOT-GOSISDBHSA-N 1 2 419.529 3.697 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000532115189 1006648590 /nfs/dbraw/zinc/64/85/90/1006648590.db2.gz ZTAMSRIMNFISOQ-UXHICEINSA-N 1 2 416.529 3.870 20 30 HHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000532351570 1006812481 /nfs/dbraw/zinc/81/24/81/1006812481.db2.gz BNGWBPZUPCWBSF-CJAUYULYSA-N 1 2 421.541 3.659 20 30 HHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000532351570 1006812494 /nfs/dbraw/zinc/81/24/94/1006812494.db2.gz BNGWBPZUPCWBSF-CJAUYULYSA-N 1 2 421.541 3.659 20 30 HHEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534816952 1006824061 /nfs/dbraw/zinc/82/40/61/1006824061.db2.gz UVJYRMARNYVNCZ-ROUUACIJSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534816952 1006824071 /nfs/dbraw/zinc/82/40/71/1006824071.db2.gz UVJYRMARNYVNCZ-ROUUACIJSA-N 1 2 410.326 3.589 20 30 HHEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(C(=O)c4cc(F)ccc4F)CC3)C2=O)cc1 ZINC000532476699 1006916384 /nfs/dbraw/zinc/91/63/84/1006916384.db2.gz IXQXJCITEZFTSO-NRFANRHFSA-N 1 2 409.436 3.537 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538662237 1006937842 /nfs/dbraw/zinc/93/78/42/1006937842.db2.gz LYOZGPARGUITHX-KRWDZBQOSA-N 1 2 420.904 3.815 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538662237 1006937854 /nfs/dbraw/zinc/93/78/54/1006937854.db2.gz LYOZGPARGUITHX-KRWDZBQOSA-N 1 2 420.904 3.815 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000516272541 1006986883 /nfs/dbraw/zinc/98/68/83/1006986883.db2.gz PNPQYQRERAQBOW-DNQXCXABSA-N 1 2 418.541 3.553 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000532625547 1007046483 /nfs/dbraw/zinc/04/64/83/1007046483.db2.gz BOMAJTMLTWUWJQ-QGZVFWFLSA-N 1 2 411.552 3.821 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000532625547 1007046495 /nfs/dbraw/zinc/04/64/95/1007046495.db2.gz BOMAJTMLTWUWJQ-QGZVFWFLSA-N 1 2 411.552 3.821 20 30 HHEDLO N#CCCn1cc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)c(-c2ccccc2)n1 ZINC000532676242 1007089708 /nfs/dbraw/zinc/08/97/08/1007089708.db2.gz PYKYZTZEMGQRKH-UHFFFAOYSA-N 1 2 416.529 3.680 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C3)cs1 ZINC000539001596 1007299557 /nfs/dbraw/zinc/29/95/57/1007299557.db2.gz UNLIZOMZTGCMSF-ZUOKHONESA-N 1 2 402.589 3.981 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C3)cs1 ZINC000539001596 1007299562 /nfs/dbraw/zinc/29/95/62/1007299562.db2.gz UNLIZOMZTGCMSF-ZUOKHONESA-N 1 2 402.589 3.981 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000533148699 1007487113 /nfs/dbraw/zinc/48/71/13/1007487113.db2.gz DCZQMMWNHXEJSH-UHFFFAOYSA-N 1 2 423.513 3.611 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000533148699 1007487120 /nfs/dbraw/zinc/48/71/20/1007487120.db2.gz DCZQMMWNHXEJSH-UHFFFAOYSA-N 1 2 423.513 3.611 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000533286890 1007598759 /nfs/dbraw/zinc/59/87/59/1007598759.db2.gz ZYICEZTVSUHAJH-UHFFFAOYSA-N 1 2 414.303 3.803 20 30 HHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000533402805 1007713077 /nfs/dbraw/zinc/71/30/77/1007713077.db2.gz ZZRQPFCANNQZKO-UHFFFAOYSA-N 1 2 406.493 3.886 20 30 HHEDLO O=C(C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000533434541 1007747133 /nfs/dbraw/zinc/74/71/33/1007747133.db2.gz QRAYJOGITAHYNZ-VIFPVBQESA-N 1 2 400.285 3.604 20 30 HHEDLO O=C(C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000533434541 1007747145 /nfs/dbraw/zinc/74/71/45/1007747145.db2.gz QRAYJOGITAHYNZ-VIFPVBQESA-N 1 2 400.285 3.604 20 30 HHEDLO O=C(c1ccc(F)cc1)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000533461833 1007773143 /nfs/dbraw/zinc/77/31/43/1007773143.db2.gz WKZMNOXWYMREFZ-UHFFFAOYSA-N 1 2 420.406 3.924 20 30 HHEDLO O=C(c1ccc(F)cc1)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000533461833 1007773152 /nfs/dbraw/zinc/77/31/52/1007773152.db2.gz WKZMNOXWYMREFZ-UHFFFAOYSA-N 1 2 420.406 3.924 20 30 HHEDLO CCCCCOc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1OC ZINC000535819769 1007831987 /nfs/dbraw/zinc/83/19/87/1007831987.db2.gz HHNJZJVGVXGNNT-GOSISDBHSA-N 1 2 409.534 3.637 20 30 HHEDLO CCCCCOc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1OC ZINC000535819769 1007831999 /nfs/dbraw/zinc/83/19/99/1007831999.db2.gz HHNJZJVGVXGNNT-GOSISDBHSA-N 1 2 409.534 3.637 20 30 HHEDLO CC(C)c1ccccc1OCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000517704844 1007918882 /nfs/dbraw/zinc/91/88/82/1007918882.db2.gz CMNKPPIJVLUGCE-UHFFFAOYSA-N 1 2 406.530 3.588 20 30 HHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000539718079 1008034868 /nfs/dbraw/zinc/03/48/68/1008034868.db2.gz DJTOIDKGUQWGRN-LAUBAEHRSA-N 1 2 423.565 3.573 20 30 HHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000539718079 1008034911 /nfs/dbraw/zinc/03/49/11/1008034911.db2.gz DJTOIDKGUQWGRN-LAUBAEHRSA-N 1 2 423.565 3.573 20 30 HHEDLO Cc1sc(NC(=O)CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(C#N)c1C ZINC000539883317 1008160247 /nfs/dbraw/zinc/16/02/47/1008160247.db2.gz PSKXNYLXNXLECV-OAHLLOKOSA-N 1 2 400.523 3.693 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000519171478 1008575406 /nfs/dbraw/zinc/57/54/06/1008575406.db2.gz NCXQXFPNQVFNGO-IRXDYDNUSA-N 1 2 424.501 3.590 20 30 HHEDLO Cc1nc(N2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)CC2)cc[nH+]1 ZINC000545483338 1008589014 /nfs/dbraw/zinc/58/90/14/1008589014.db2.gz PTEDJMLGNCYSES-UHFFFAOYSA-N 1 2 417.444 3.551 20 30 HHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000549087574 1008652163 /nfs/dbraw/zinc/65/21/63/1008652163.db2.gz UPJRSFOQWIMDOG-UXHICEINSA-N 1 2 409.921 3.640 20 30 HHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000549087574 1008652167 /nfs/dbraw/zinc/65/21/67/1008652167.db2.gz UPJRSFOQWIMDOG-UXHICEINSA-N 1 2 409.921 3.640 20 30 HHEDLO N#CCCCS(=O)(=O)c1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000545693049 1008785582 /nfs/dbraw/zinc/78/55/82/1008785582.db2.gz KRBJSEOIVMYHQK-UHFFFAOYSA-N 1 2 419.466 3.667 20 30 HHEDLO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549253351 1008824669 /nfs/dbraw/zinc/82/46/69/1008824669.db2.gz SAQGFJVDUHWMNF-GOSISDBHSA-N 1 2 422.508 3.855 20 30 HHEDLO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549298104 1008872740 /nfs/dbraw/zinc/87/27/40/1008872740.db2.gz IRUJVCOORRJZBX-UHFFFAOYSA-N 1 2 408.937 3.820 20 30 HHEDLO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000549365541 1008947423 /nfs/dbraw/zinc/94/74/23/1008947423.db2.gz GYEUEGRZRROXEB-UHFFFAOYSA-N 1 2 406.921 3.812 20 30 HHEDLO COc1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1OCCCC#N ZINC000546197437 1009224430 /nfs/dbraw/zinc/22/44/30/1009224430.db2.gz NYSIHNMQZQJWEV-UHFFFAOYSA-N 1 2 401.551 3.847 20 30 HHEDLO COc1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)cc1OCCCC#N ZINC000546197437 1009224446 /nfs/dbraw/zinc/22/44/46/1009224446.db2.gz NYSIHNMQZQJWEV-UHFFFAOYSA-N 1 2 401.551 3.847 20 30 HHEDLO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000549665735 1009295314 /nfs/dbraw/zinc/29/53/14/1009295314.db2.gz UTXPTPJGVAESGX-UHFFFAOYSA-N 1 2 421.545 3.563 20 30 HHEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000549678210 1009309643 /nfs/dbraw/zinc/30/96/43/1009309643.db2.gz TXYHCPRRPNILOG-OAHLLOKOSA-N 1 2 404.356 3.808 20 30 HHEDLO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549699587 1009329132 /nfs/dbraw/zinc/32/91/32/1009329132.db2.gz NWCXBWMCOJXIDA-UHFFFAOYSA-N 1 2 414.513 3.985 20 30 HHEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000546586298 1009612083 /nfs/dbraw/zinc/61/20/83/1009612083.db2.gz IRADQKLVPXZNLF-GOSISDBHSA-N 1 2 406.486 3.634 20 30 HHEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000546586298 1009612092 /nfs/dbraw/zinc/61/20/92/1009612092.db2.gz IRADQKLVPXZNLF-GOSISDBHSA-N 1 2 406.486 3.634 20 30 HHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ncc(C#N)cc2C)cc1 ZINC000550709628 1010117983 /nfs/dbraw/zinc/11/79/83/1010117983.db2.gz KHBHJWXCVOKECT-UHFFFAOYSA-N 1 2 403.486 3.590 20 30 HHEDLO C=CCOc1ccccc1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544713411 1010322569 /nfs/dbraw/zinc/32/25/69/1010322569.db2.gz KXVGOBBBUVBCMT-UHFFFAOYSA-N 1 2 414.303 3.943 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3ccc(CC#N)cc3)[nH+]c12 ZINC000544783828 1010378448 /nfs/dbraw/zinc/37/84/48/1010378448.db2.gz RIXOJDCHNNHSEM-UHFFFAOYSA-N 1 2 412.291 3.836 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000540714523 1011365249 /nfs/dbraw/zinc/36/52/49/1011365249.db2.gz VHDDARMKRSRDQP-FQEVSTJZSA-N 1 2 403.526 3.605 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(Cl)cc2)C1 ZINC000540749680 1011403255 /nfs/dbraw/zinc/40/32/55/1011403255.db2.gz MRYNEMYLRDYYQP-SFTDATJTSA-N 1 2 409.917 3.697 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(Cl)cc2)C1 ZINC000540749680 1011403260 /nfs/dbraw/zinc/40/32/60/1011403260.db2.gz MRYNEMYLRDYYQP-SFTDATJTSA-N 1 2 409.917 3.697 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000523179501 1011664769 /nfs/dbraw/zinc/66/47/69/1011664769.db2.gz STZZECHRSNWGNN-UHFFFAOYSA-N 1 2 402.502 3.754 20 30 HHEDLO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000541101871 1011748137 /nfs/dbraw/zinc/74/81/37/1011748137.db2.gz WDPGKUODMPQBLR-HNNXBMFYSA-N 1 2 415.432 3.951 20 30 HHEDLO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1Cl ZINC000536618070 1011775919 /nfs/dbraw/zinc/77/59/19/1011775919.db2.gz XSMUSTPYAHBIBT-HXUWFJFHSA-N 1 2 421.884 3.641 20 30 HHEDLO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1Cl ZINC000536618070 1011775929 /nfs/dbraw/zinc/77/59/29/1011775929.db2.gz XSMUSTPYAHBIBT-HXUWFJFHSA-N 1 2 421.884 3.641 20 30 HHEDLO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541126030 1011783821 /nfs/dbraw/zinc/78/38/21/1011783821.db2.gz VPTUCTRRLYAVNA-IAGOWNOFSA-N 1 2 401.935 3.616 20 30 HHEDLO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541126030 1011783837 /nfs/dbraw/zinc/78/38/37/1011783837.db2.gz VPTUCTRRLYAVNA-IAGOWNOFSA-N 1 2 401.935 3.616 20 30 HHEDLO CCc1cnc(N2CC[NH+](Cc3ccc(OC)c(OCCCC#N)c3)CC2)s1 ZINC000536673160 1011830973 /nfs/dbraw/zinc/83/09/73/1011830973.db2.gz VGXWPCKTQZYPTN-UHFFFAOYSA-N 1 2 400.548 3.719 20 30 HHEDLO COc1cc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000537125279 1012508793 /nfs/dbraw/zinc/50/87/93/1012508793.db2.gz HQIBJPKSRATWKP-UHFFFAOYSA-N 1 2 407.514 3.589 20 30 HHEDLO COc1cc(C[N@H+]2CCN(C(C)=O)CC2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000537125279 1012508805 /nfs/dbraw/zinc/50/88/05/1012508805.db2.gz HQIBJPKSRATWKP-UHFFFAOYSA-N 1 2 407.514 3.589 20 30 HHEDLO N#Cc1ccc(N2CCC[C@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000614969396 1072010195 /nfs/dbraw/zinc/01/01/95/1072010195.db2.gz BOFVLWUYHRSWSI-QFIPXVFZSA-N 1 2 415.497 3.782 20 30 HHEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000912823195 1072286918 /nfs/dbraw/zinc/28/69/18/1072286918.db2.gz PIENTZHGMLDZFA-UHFFFAOYSA-N 1 2 417.379 3.561 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCCN(CC(F)F)CC2)cc1OC ZINC000554879200 1072932059 /nfs/dbraw/zinc/93/20/59/1072932059.db2.gz MUXUMPAITJHNOF-UHFFFAOYSA-N 1 2 419.310 3.795 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCCN(CC(F)F)CC2)cc1OC ZINC000554879200 1072932055 /nfs/dbraw/zinc/93/20/55/1072932055.db2.gz MUXUMPAITJHNOF-UHFFFAOYSA-N 1 2 419.310 3.795 20 30 HHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000591317407 1074244985 /nfs/dbraw/zinc/24/49/85/1074244985.db2.gz HLMQWSXRNFNDLR-GAJHUEQPSA-N 1 2 411.546 3.701 20 30 HHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000591317407 1074244990 /nfs/dbraw/zinc/24/49/90/1074244990.db2.gz HLMQWSXRNFNDLR-GAJHUEQPSA-N 1 2 411.546 3.701 20 30 HHEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3nc4c(cc3C#N)CCCC4)CC2)c1 ZINC000602245359 1075723553 /nfs/dbraw/zinc/72/35/53/1075723553.db2.gz LAFKHKFEYFCXBI-UHFFFAOYSA-N 1 2 420.582 3.577 20 30 HHEDLO N#Cc1cc(NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000302150909 971188557 /nfs/dbraw/zinc/18/85/57/971188557.db2.gz BJEZWDFBOVYXEC-IBGZPJMESA-N 1 2 420.391 3.971 20 30 HHEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000303589312 971882359 /nfs/dbraw/zinc/88/23/59/971882359.db2.gz HDSFQWAWXKPABC-UHFFFAOYSA-N 1 2 405.523 3.526 20 30 HHEDLO CCc1nc2ccccc2n1C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000537857090 1013426621 /nfs/dbraw/zinc/42/66/21/1013426621.db2.gz JUSKTWYQPWPNEM-UHFFFAOYSA-N 1 2 422.554 3.581 20 30 HHEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778728 963714574 /nfs/dbraw/zinc/71/45/74/963714574.db2.gz KUQLWYKDMWDTHX-INIZCTEOSA-N 1 2 416.447 3.722 20 30 HHEDLO CCC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000022778420 963714824 /nfs/dbraw/zinc/71/48/24/963714824.db2.gz RZZVHEIVJCOSMP-HYBUGGRVSA-N 1 2 404.558 3.722 20 30 HHEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000023614137 963861902 /nfs/dbraw/zinc/86/19/02/963861902.db2.gz JEESHELZFNCCLE-UHFFFAOYSA-N 1 2 421.570 3.528 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026326107 964525234 /nfs/dbraw/zinc/52/52/34/964525234.db2.gz YLKAQFBVSMBRNU-UHFFFAOYSA-N 1 2 401.470 3.560 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026326107 964525238 /nfs/dbraw/zinc/52/52/38/964525238.db2.gz YLKAQFBVSMBRNU-UHFFFAOYSA-N 1 2 401.470 3.560 20 30 HHEDLO Cc1nc(-c2ccc(CNC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cs1 ZINC000026532596 964591858 /nfs/dbraw/zinc/59/18/58/964591858.db2.gz ZBOXLAUHMWROFM-UHFFFAOYSA-N 1 2 421.526 3.611 20 30 HHEDLO CCN(C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)c1nc2ccccc2s1 ZINC000052801174 964988493 /nfs/dbraw/zinc/98/84/93/964988493.db2.gz HMWMSLHDDFYMKW-UHFFFAOYSA-N 1 2 419.554 3.733 20 30 HHEDLO CCN(C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1nc2ccccc2s1 ZINC000052801174 964988502 /nfs/dbraw/zinc/98/85/02/964988502.db2.gz HMWMSLHDDFYMKW-UHFFFAOYSA-N 1 2 419.554 3.733 20 30 HHEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000052862167 965002748 /nfs/dbraw/zinc/00/27/48/965002748.db2.gz DLJGSYMHBVIVMJ-DZGCQCFKSA-N 1 2 413.547 3.787 20 30 HHEDLO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000052862167 965002757 /nfs/dbraw/zinc/00/27/57/965002757.db2.gz DLJGSYMHBVIVMJ-DZGCQCFKSA-N 1 2 413.547 3.787 20 30 HHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029780302 965496321 /nfs/dbraw/zinc/49/63/21/965496321.db2.gz ZRCYKPKMRUWADQ-MRXNPFEDSA-N 1 2 417.431 3.689 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542691240 1013610219 /nfs/dbraw/zinc/61/02/19/1013610219.db2.gz FPUUTOFHJYQLDS-OAHLLOKOSA-N 1 2 421.339 3.829 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542691240 1013610223 /nfs/dbraw/zinc/61/02/23/1013610223.db2.gz FPUUTOFHJYQLDS-OAHLLOKOSA-N 1 2 421.339 3.829 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542691240 1013610229 /nfs/dbraw/zinc/61/02/29/1013610229.db2.gz FPUUTOFHJYQLDS-OAHLLOKOSA-N 1 2 421.339 3.829 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542691240 1013610233 /nfs/dbraw/zinc/61/02/33/1013610233.db2.gz FPUUTOFHJYQLDS-OAHLLOKOSA-N 1 2 421.339 3.829 20 30 HHEDLO Cc1ccc(-c2nnc(CO[NH+]=C(N)c3ccc(OCc4cccnc4)cc3)o2)cc1 ZINC000060360993 966111736 /nfs/dbraw/zinc/11/17/36/966111736.db2.gz BXONADMIMMEYIX-UHFFFAOYSA-N 1 2 415.453 3.856 20 30 HHEDLO Cc1ccc(C)n1-c1sccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000060777685 966285465 /nfs/dbraw/zinc/28/54/65/966285465.db2.gz PIYBHPYAGKKQIG-UHFFFAOYSA-N 1 2 404.539 3.985 20 30 HHEDLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000060893872 966320039 /nfs/dbraw/zinc/32/00/39/966320039.db2.gz LBYMSLNYOPYWJH-QHCPKHFHSA-N 1 2 402.498 3.608 20 30 HHEDLO C[C@H](NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(C#N)cc1 ZINC000042019219 966689356 /nfs/dbraw/zinc/68/93/56/966689356.db2.gz PHVUVJKCHHJNED-INIZCTEOSA-N 1 2 413.481 3.574 20 30 HHEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354367 966784545 /nfs/dbraw/zinc/78/45/45/966784545.db2.gz XUQCGNTUEOLPRF-LJQANCHMSA-N 1 2 404.558 3.828 20 30 HHEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Br)c1 ZINC000043328471 966953240 /nfs/dbraw/zinc/95/32/40/966953240.db2.gz BFRUIAUSKNROEZ-UHFFFAOYSA-N 1 2 413.319 3.979 20 30 HHEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000553909073 1013693236 /nfs/dbraw/zinc/69/32/36/1013693236.db2.gz DZWYKOYTKZFPHF-UHFFFAOYSA-N 1 2 400.324 3.628 20 30 HHEDLO C[C@H](c1cccc2ccccc21)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000064138020 967061723 /nfs/dbraw/zinc/06/17/23/967061723.db2.gz NEYHOPAIXYSMOE-GOSISDBHSA-N 1 2 405.523 3.779 20 30 HHEDLO Cc1cc(C)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(OCc2ccccc2)n1 ZINC000553917825 1013699763 /nfs/dbraw/zinc/69/97/63/1013699763.db2.gz CDNWHOJZSSRWIO-UHFFFAOYSA-N 1 2 413.525 3.866 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)cc1 ZINC000044309187 967188836 /nfs/dbraw/zinc/18/88/36/967188836.db2.gz IXJAHVICQRIJGF-UHFFFAOYSA-N 1 2 401.470 3.927 20 30 HHEDLO COc1cc(C#N)ccc1OCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568648 967242746 /nfs/dbraw/zinc/24/27/46/967242746.db2.gz QBVJWXJOBCPMPB-UHFFFAOYSA-N 1 2 402.454 3.784 20 30 HHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC(F)F)cc1 ZINC000045039924 967339820 /nfs/dbraw/zinc/33/98/20/967339820.db2.gz JVRNVCLZJOGMOM-INIZCTEOSA-N 1 2 414.456 3.748 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)Cc2ccoc2C)cc1 ZINC000065603121 967542565 /nfs/dbraw/zinc/54/25/65/967542565.db2.gz IKPSXMZUCCVTKA-UHFFFAOYSA-N 1 2 406.486 3.946 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)Cc2ccoc2C)cc1 ZINC000065603121 967542571 /nfs/dbraw/zinc/54/25/71/967542571.db2.gz IKPSXMZUCCVTKA-UHFFFAOYSA-N 1 2 406.486 3.946 20 30 HHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCc2cccc(C#N)c2)cc1 ZINC000046040805 967645666 /nfs/dbraw/zinc/64/56/66/967645666.db2.gz PTPISIINWFSQAR-UHFFFAOYSA-N 1 2 417.513 3.956 20 30 HHEDLO CCCOCc1ccccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000047100254 968054007 /nfs/dbraw/zinc/05/40/07/968054007.db2.gz INQWDGLHYSGDMD-UHFFFAOYSA-N 1 2 406.530 3.512 20 30 HHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000047266122 968111479 /nfs/dbraw/zinc/11/14/79/968111479.db2.gz SCGMJEAWGUWMDK-UHFFFAOYSA-N 1 2 406.408 3.687 20 30 HHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000096971801 969068753 /nfs/dbraw/zinc/06/87/53/969068753.db2.gz LHOLKSXVQDFDPX-UHFFFAOYSA-N 1 2 415.541 3.587 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC(=O)Nc3ccc(C(C)C)cc3)c2)n1 ZINC000110180138 969633533 /nfs/dbraw/zinc/63/35/33/969633533.db2.gz CYMDDQMURLXHIK-UHFFFAOYSA-N 1 2 419.529 3.947 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409877539 973344269 /nfs/dbraw/zinc/34/42/69/973344269.db2.gz SDMSCZKMBNFDSG-TZIWHRDSSA-N 1 2 423.879 3.712 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409877539 973344275 /nfs/dbraw/zinc/34/42/75/973344275.db2.gz SDMSCZKMBNFDSG-TZIWHRDSSA-N 1 2 423.879 3.712 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c(C)c1 ZINC000409894369 973356892 /nfs/dbraw/zinc/35/68/92/973356892.db2.gz BWVLRZHGIJXKLZ-QHCPKHFHSA-N 1 2 410.481 3.729 20 30 HHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281327 973804342 /nfs/dbraw/zinc/80/43/42/973804342.db2.gz HTJVXKQSZWTFOY-DENIHFKCSA-N 1 2 406.530 3.901 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1OC ZINC000426382215 974424741 /nfs/dbraw/zinc/42/47/41/974424741.db2.gz PWPXLXAQGCIWLN-UHFFFAOYSA-N 1 2 405.292 3.681 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1OC ZINC000426382215 974424744 /nfs/dbraw/zinc/42/47/44/974424744.db2.gz PWPXLXAQGCIWLN-UHFFFAOYSA-N 1 2 405.292 3.681 20 30 HHEDLO COc1cccc(C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]2CCCO2)c1 ZINC000426413160 974437908 /nfs/dbraw/zinc/43/79/08/974437908.db2.gz VTROZYMOMILSEF-IBGZPJMESA-N 1 2 413.543 3.865 20 30 HHEDLO COc1cccc(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]2CCCO2)c1 ZINC000426413160 974437910 /nfs/dbraw/zinc/43/79/10/974437910.db2.gz VTROZYMOMILSEF-IBGZPJMESA-N 1 2 413.543 3.865 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCO1 ZINC000427742828 975263277 /nfs/dbraw/zinc/26/32/77/975263277.db2.gz ROUZQTZKOXQIPY-GOSISDBHSA-N 1 2 413.905 3.845 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCO1 ZINC000427742828 975263283 /nfs/dbraw/zinc/26/32/83/975263283.db2.gz ROUZQTZKOXQIPY-GOSISDBHSA-N 1 2 413.905 3.845 20 30 HHEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000428814406 976094064 /nfs/dbraw/zinc/09/40/64/976094064.db2.gz ROKFERSEDIBPMJ-QFIXIFRTSA-N 1 2 420.431 3.779 20 30 HHEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000428814406 976094071 /nfs/dbraw/zinc/09/40/71/976094071.db2.gz ROKFERSEDIBPMJ-QFIXIFRTSA-N 1 2 420.431 3.779 20 30 HHEDLO CCOC(=O)C(CC)(CC)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429290458 976571085 /nfs/dbraw/zinc/57/10/85/976571085.db2.gz GHIIIUGDGCVQIX-UHFFFAOYSA-N 1 2 405.564 3.929 20 30 HHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)c1C#N ZINC000429545355 976811000 /nfs/dbraw/zinc/81/10/00/976811000.db2.gz CLHSHTSDIIGEGC-UHFFFAOYSA-N 1 2 416.529 3.569 20 30 HHEDLO N#CCCn1ncc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1-c1ccccc1 ZINC000429736519 977028074 /nfs/dbraw/zinc/02/80/74/977028074.db2.gz OXLZHKMXHHVLCE-UHFFFAOYSA-N 1 2 424.508 3.681 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000433266759 979201639 /nfs/dbraw/zinc/20/16/39/979201639.db2.gz WLEYWAPTCDVVLV-UHFFFAOYSA-N 1 2 407.518 3.547 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433355543 979254631 /nfs/dbraw/zinc/25/46/31/979254631.db2.gz WPZBFOUDUSGATL-XUZZJYLKSA-N 1 2 405.542 3.508 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C#N)c1C ZINC000434773976 980391836 /nfs/dbraw/zinc/39/18/36/980391836.db2.gz HOAKBMUSOZJTHB-AEFFLSMTSA-N 1 2 408.285 3.604 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C#N)c1C ZINC000434773976 980391840 /nfs/dbraw/zinc/39/18/40/980391840.db2.gz HOAKBMUSOZJTHB-AEFFLSMTSA-N 1 2 408.285 3.604 20 30 HHEDLO Cc1ccc(-n2cc(CN(CCC#N)CC[NH+]3CCOCC3)c(C(C)(C)C)n2)cc1 ZINC000434986137 980550899 /nfs/dbraw/zinc/55/08/99/980550899.db2.gz MWKLDOBYPYLIDV-UHFFFAOYSA-N 1 2 409.578 3.526 20 30 HHEDLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C3)cc1 ZINC000434987651 980552092 /nfs/dbraw/zinc/55/20/92/980552092.db2.gz OGFRQBRVESDSFH-UHFFFAOYSA-N 1 2 423.524 3.911 20 30 HHEDLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C3)cc1 ZINC000434987651 980552099 /nfs/dbraw/zinc/55/20/99/980552099.db2.gz OGFRQBRVESDSFH-UHFFFAOYSA-N 1 2 423.524 3.911 20 30 HHEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000435544762 980932816 /nfs/dbraw/zinc/93/28/16/980932816.db2.gz GHBRTFPJIATNLY-UHFFFAOYSA-N 1 2 408.502 3.704 20 30 HHEDLO Cc1cc(N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000438837596 983105988 /nfs/dbraw/zinc/10/59/88/983105988.db2.gz JCVSIWKVORLWDY-HXUWFJFHSA-N 1 2 406.534 3.785 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)c(Cl)c1 ZINC000439432209 983406175 /nfs/dbraw/zinc/40/61/75/983406175.db2.gz BHYWIOFAOSFSHG-IBGZPJMESA-N 1 2 415.946 3.569 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)c(Cl)c1 ZINC000439432209 983406178 /nfs/dbraw/zinc/40/61/78/983406178.db2.gz BHYWIOFAOSFSHG-IBGZPJMESA-N 1 2 415.946 3.569 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000439584199 983461243 /nfs/dbraw/zinc/46/12/43/983461243.db2.gz VUMWGXUSACGUPB-RTBURBONSA-N 1 2 408.468 3.754 20 30 HHEDLO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000439591959 983464047 /nfs/dbraw/zinc/46/40/47/983464047.db2.gz CRYMOHWSEPPAJT-UHFFFAOYSA-N 1 2 419.529 3.719 20 30 HHEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3c(C#N)cnc4ccccc43)CC2)cs1 ZINC000439601713 983467030 /nfs/dbraw/zinc/46/70/30/983467030.db2.gz BZEUFLKQNMSJJA-INIZCTEOSA-N 1 2 407.543 3.983 20 30 HHEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3c(C#N)cnc4ccccc43)CC2)cs1 ZINC000439601713 983467032 /nfs/dbraw/zinc/46/70/32/983467032.db2.gz BZEUFLKQNMSJJA-INIZCTEOSA-N 1 2 407.543 3.983 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000440930407 983984829 /nfs/dbraw/zinc/98/48/29/983984829.db2.gz RBBJOADTNHAYEL-RTBURBONSA-N 1 2 406.530 3.934 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@H](C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000440930407 983984831 /nfs/dbraw/zinc/98/48/31/983984831.db2.gz RBBJOADTNHAYEL-RTBURBONSA-N 1 2 406.530 3.934 20 30 HHEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)Cc2ccccc21 ZINC000441116694 984075625 /nfs/dbraw/zinc/07/56/25/984075625.db2.gz PWUHCLCPMJDPCQ-VGOFRKELSA-N 1 2 423.488 3.623 20 30 HHEDLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)Cc2ccccc21 ZINC000441116694 984075629 /nfs/dbraw/zinc/07/56/29/984075629.db2.gz PWUHCLCPMJDPCQ-VGOFRKELSA-N 1 2 423.488 3.623 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000441436007 984251028 /nfs/dbraw/zinc/25/10/28/984251028.db2.gz NKYVTIRXGQKNIF-IBGZPJMESA-N 1 2 403.526 3.721 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000441436007 984251029 /nfs/dbraw/zinc/25/10/29/984251029.db2.gz NKYVTIRXGQKNIF-IBGZPJMESA-N 1 2 403.526 3.721 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c(C)c1 ZINC000441793321 984457264 /nfs/dbraw/zinc/45/72/64/984457264.db2.gz GTFHHLUVOFEDSZ-HXUWFJFHSA-N 1 2 421.888 3.521 20 30 HHEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1O ZINC000442733656 985192495 /nfs/dbraw/zinc/19/24/95/985192495.db2.gz ZNYKHOFOIRJOQP-HXUWFJFHSA-N 1 2 403.507 3.855 20 30 HHEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1O ZINC000442733656 985192500 /nfs/dbraw/zinc/19/25/00/985192500.db2.gz ZNYKHOFOIRJOQP-HXUWFJFHSA-N 1 2 403.507 3.855 20 30 HHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000462306575 985292410 /nfs/dbraw/zinc/29/24/10/985292410.db2.gz BMJBWLBMHLQSJB-QGZVFWFLSA-N 1 2 414.600 3.941 20 30 HHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000442971746 985309666 /nfs/dbraw/zinc/30/96/66/985309666.db2.gz YIBNWEKOPAUNEJ-UHFFFAOYSA-N 1 2 404.470 3.592 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4ccc(Br)cc4o3)CC2)cc1 ZINC000463073937 986031695 /nfs/dbraw/zinc/03/16/95/986031695.db2.gz LSFDALTZMMTLHU-UHFFFAOYSA-N 1 2 411.303 3.780 20 30 HHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000463164271 986136024 /nfs/dbraw/zinc/13/60/24/986136024.db2.gz UVUPTAPADUOOQG-QGZVFWFLSA-N 1 2 410.543 3.634 20 30 HHEDLO C[C@@H]1C[N@@H+](Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)C[C@H](C)O1 ZINC000444196164 986373921 /nfs/dbraw/zinc/37/39/21/986373921.db2.gz OYMLPEPJEOWAPO-GASCZTMLSA-N 1 2 419.934 3.622 20 30 HHEDLO C[C@@H]1C[N@H+](Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)C[C@H](C)O1 ZINC000444196164 986373934 /nfs/dbraw/zinc/37/39/34/986373934.db2.gz OYMLPEPJEOWAPO-GASCZTMLSA-N 1 2 419.934 3.622 20 30 HHEDLO C[C@@H]1C[NH+](Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)C[C@@H](C)O1 ZINC000444200596 986379724 /nfs/dbraw/zinc/37/97/24/986379724.db2.gz CSVNYXQLCMEMKD-HUUCEWRRSA-N 1 2 419.934 3.622 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000463426708 986396809 /nfs/dbraw/zinc/39/68/09/986396809.db2.gz BNMMPEFMUUUXQE-UHFFFAOYSA-N 1 2 405.498 3.585 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000463426708 986396817 /nfs/dbraw/zinc/39/68/17/986396817.db2.gz BNMMPEFMUUUXQE-UHFFFAOYSA-N 1 2 405.498 3.585 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463447654 986427572 /nfs/dbraw/zinc/42/75/72/986427572.db2.gz ZUUCEIHBPBPJCE-WZONZLPQSA-N 1 2 409.555 3.655 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463447654 986427575 /nfs/dbraw/zinc/42/75/75/986427575.db2.gz ZUUCEIHBPBPJCE-WZONZLPQSA-N 1 2 409.555 3.655 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c1C#N ZINC000468750750 986464146 /nfs/dbraw/zinc/46/41/46/986464146.db2.gz AAMBCYGLOXNBCH-UHFFFAOYSA-N 1 2 412.534 3.836 20 30 HHEDLO Cc1cc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000463653081 986631347 /nfs/dbraw/zinc/63/13/47/986631347.db2.gz AHRWLKYSHMYWME-SFHVURJKSA-N 1 2 412.335 3.812 20 30 HHEDLO COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463811406 986803581 /nfs/dbraw/zinc/80/35/81/986803581.db2.gz WLGWZWVQQCBCSB-QFIPXVFZSA-N 1 2 418.541 3.514 20 30 HHEDLO C[C@@H](c1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1)[NH+]1CCOCC1 ZINC000469345105 987050397 /nfs/dbraw/zinc/05/03/97/987050397.db2.gz PMMKTQRIBRWNBS-INIZCTEOSA-N 1 2 402.454 3.859 20 30 HHEDLO CCCc1c(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cnn1-c1cccc(C#N)c1 ZINC000445164951 987252185 /nfs/dbraw/zinc/25/21/85/987252185.db2.gz MLQVJFPKVBXCAM-SFHVURJKSA-N 1 2 417.517 3.841 20 30 HHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000470021364 987632451 /nfs/dbraw/zinc/63/24/51/987632451.db2.gz VAUKYWQEXJYFMW-UHFFFAOYSA-N 1 2 400.482 3.942 20 30 HHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000470287716 988245839 /nfs/dbraw/zinc/24/58/39/988245839.db2.gz QMRYASCORGQSDN-OAQYLSRUSA-N 1 2 400.482 3.891 20 30 HHEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000464496047 988669989 /nfs/dbraw/zinc/66/99/89/988669989.db2.gz DWKDJOMGYMGUAS-QGZVFWFLSA-N 1 2 405.926 3.640 20 30 HHEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000464496047 988669991 /nfs/dbraw/zinc/66/99/91/988669991.db2.gz DWKDJOMGYMGUAS-QGZVFWFLSA-N 1 2 405.926 3.640 20 30 HHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nnc(-c4ccccc4)s3)CC2)c1 ZINC000464688778 988895577 /nfs/dbraw/zinc/89/55/77/988895577.db2.gz RTSPJKAPBDHCHN-UHFFFAOYSA-N 1 2 403.511 3.927 20 30 HHEDLO Cc1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)cc1F ZINC000471798701 989982983 /nfs/dbraw/zinc/98/29/83/989982983.db2.gz MNUJBJHQVIHGPY-UHFFFAOYSA-N 1 2 421.925 3.556 20 30 HHEDLO Cc1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)cc1F ZINC000471798701 989982993 /nfs/dbraw/zinc/98/29/93/989982993.db2.gz MNUJBJHQVIHGPY-UHFFFAOYSA-N 1 2 421.925 3.556 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000465714345 990100187 /nfs/dbraw/zinc/10/01/87/990100187.db2.gz DUAJJDHIUPRJHZ-TZIWHRDSSA-N 1 2 403.461 3.993 20 30 HHEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(Br)c2c(c1)OCCO2 ZINC000466618012 991933531 /nfs/dbraw/zinc/93/35/31/991933531.db2.gz DPOWFXBRBZKDSE-UHFFFAOYSA-N 1 2 404.264 3.910 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472490674 993492633 /nfs/dbraw/zinc/49/26/33/993492633.db2.gz ZIETYSQXNKFZIJ-YUXAGFNASA-N 1 2 424.907 3.985 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472490674 993492639 /nfs/dbraw/zinc/49/26/39/993492639.db2.gz ZIETYSQXNKFZIJ-YUXAGFNASA-N 1 2 424.907 3.985 20 30 HHEDLO Cc1ccccc1-c1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)no1 ZINC000472747570 993681070 /nfs/dbraw/zinc/68/10/70/993681070.db2.gz HMFQYSYHLXCEJT-UHFFFAOYSA-N 1 2 401.470 3.767 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(Br)c1 ZINC000481092496 993930527 /nfs/dbraw/zinc/93/05/27/993930527.db2.gz MWFRAZQFMIZRIT-KRWDZBQOSA-N 1 2 417.282 3.856 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(Br)c1 ZINC000481092496 993930535 /nfs/dbraw/zinc/93/05/35/993930535.db2.gz MWFRAZQFMIZRIT-KRWDZBQOSA-N 1 2 417.282 3.856 20 30 HHEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000482524814 995533447 /nfs/dbraw/zinc/53/34/47/995533447.db2.gz IZAPGCCHDAUUOD-XLIONFOSSA-N 1 2 406.486 3.677 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3-n3cncn3)CC2)c(Cl)c1 ZINC000475202854 995994362 /nfs/dbraw/zinc/99/43/62/995994362.db2.gz BIDWARDTXYKSTA-UHFFFAOYSA-N 1 2 413.312 3.768 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000483273968 996074231 /nfs/dbraw/zinc/07/42/31/996074231.db2.gz VSLWMJCNOPGNAR-KRWDZBQOSA-N 1 2 404.470 3.559 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475400549 996115307 /nfs/dbraw/zinc/11/53/07/996115307.db2.gz OXMGORJAWLELNY-GGAORHGYSA-N 1 2 406.505 3.861 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000475409925 996121663 /nfs/dbraw/zinc/12/16/63/996121663.db2.gz KMSXCZRCVMLIMI-UHFFFAOYSA-N 1 2 411.571 3.713 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000475409925 996121668 /nfs/dbraw/zinc/12/16/68/996121668.db2.gz KMSXCZRCVMLIMI-UHFFFAOYSA-N 1 2 411.571 3.713 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483364806 996128507 /nfs/dbraw/zinc/12/85/07/996128507.db2.gz IXCHHDILGMUCRX-MRXNPFEDSA-N 1 2 419.464 3.909 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483364806 996128512 /nfs/dbraw/zinc/12/85/12/996128512.db2.gz IXCHHDILGMUCRX-MRXNPFEDSA-N 1 2 419.464 3.909 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)C2 ZINC000475457768 996152607 /nfs/dbraw/zinc/15/26/07/996152607.db2.gz PBSQGIMQKPNXJC-CXAGYDPISA-N 1 2 401.308 3.782 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)CC2 ZINC000475457768 996152614 /nfs/dbraw/zinc/15/26/14/996152614.db2.gz PBSQGIMQKPNXJC-CXAGYDPISA-N 1 2 401.308 3.782 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)cc1 ZINC000483501483 996221187 /nfs/dbraw/zinc/22/11/87/996221187.db2.gz LDAXDDXYUPFROI-UHFFFAOYSA-N 1 2 408.477 3.978 20 30 HHEDLO N#Cc1ccc(Cc2cnc(NC(=O)CCc3c[nH]c[nH+]3)s2)c(C(F)(F)F)c1 ZINC000483650439 996308538 /nfs/dbraw/zinc/30/85/38/996308538.db2.gz YHQBGXLTHDYDJT-UHFFFAOYSA-N 1 2 405.405 3.919 20 30 HHEDLO N#Cc1ccc(Cc2cnc(NC(=O)CCc3c[nH+]c[nH]3)s2)c(C(F)(F)F)c1 ZINC000483650439 996308542 /nfs/dbraw/zinc/30/85/42/996308542.db2.gz YHQBGXLTHDYDJT-UHFFFAOYSA-N 1 2 405.405 3.919 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000475736212 996335085 /nfs/dbraw/zinc/33/50/85/996335085.db2.gz VYDVSYIUSWPVCS-ADXZGYQBSA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000475736212 996335092 /nfs/dbraw/zinc/33/50/92/996335092.db2.gz VYDVSYIUSWPVCS-ADXZGYQBSA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1-c1ncco1 ZINC000483783477 996385323 /nfs/dbraw/zinc/38/53/23/996385323.db2.gz LAWNKLDMPYHKON-UHFFFAOYSA-N 1 2 401.470 3.871 20 30 HHEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000484553869 996886112 /nfs/dbraw/zinc/88/61/12/996886112.db2.gz CNFIPVWAKIDOQW-IBGZPJMESA-N 1 2 401.894 3.745 20 30 HHEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000484553869 996886127 /nfs/dbraw/zinc/88/61/27/996886127.db2.gz CNFIPVWAKIDOQW-IBGZPJMESA-N 1 2 401.894 3.745 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000476530462 997019638 /nfs/dbraw/zinc/01/96/38/997019638.db2.gz FFFYTCDKRMANEL-RTWAWAEBSA-N 1 2 411.933 3.943 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000476530462 997019646 /nfs/dbraw/zinc/01/96/46/997019646.db2.gz FFFYTCDKRMANEL-RTWAWAEBSA-N 1 2 411.933 3.943 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000477013143 997647284 /nfs/dbraw/zinc/64/72/84/997647284.db2.gz OBSCXDBDXKBHAG-LJQANCHMSA-N 1 2 403.404 3.979 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000477013143 997647290 /nfs/dbraw/zinc/64/72/90/997647290.db2.gz OBSCXDBDXKBHAG-LJQANCHMSA-N 1 2 403.404 3.979 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485257465 997648837 /nfs/dbraw/zinc/64/88/37/997648837.db2.gz QQIDQPVLWAMAPT-KRWDZBQOSA-N 1 2 414.469 3.601 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485655993 998105027 /nfs/dbraw/zinc/10/50/27/998105027.db2.gz IRKWXKKFEMBIQG-FPOVZHCZSA-N 1 2 401.482 3.631 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485655993 998105032 /nfs/dbraw/zinc/10/50/32/998105032.db2.gz IRKWXKKFEMBIQG-FPOVZHCZSA-N 1 2 401.482 3.631 20 30 HHEDLO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000485789426 998260726 /nfs/dbraw/zinc/26/07/26/998260726.db2.gz RAFKNRLGCLZUKP-CVDCTZTESA-N 1 2 416.468 3.642 20 30 HHEDLO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000485789426 998260740 /nfs/dbraw/zinc/26/07/40/998260740.db2.gz RAFKNRLGCLZUKP-CVDCTZTESA-N 1 2 416.468 3.642 20 30 HHEDLO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CCC2 ZINC000478056907 998740221 /nfs/dbraw/zinc/74/02/21/998740221.db2.gz UVPYQFNJAGMDLN-GOSISDBHSA-N 1 2 420.542 3.711 20 30 HHEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CCC2 ZINC000478056907 998740225 /nfs/dbraw/zinc/74/02/25/998740225.db2.gz UVPYQFNJAGMDLN-GOSISDBHSA-N 1 2 420.542 3.711 20 30 HHEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000486523280 998806829 /nfs/dbraw/zinc/80/68/29/998806829.db2.gz WIIPHJRRCANFJC-HSZRJFAPSA-N 1 2 414.509 3.522 20 30 HHEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000486523280 998806834 /nfs/dbraw/zinc/80/68/34/998806834.db2.gz WIIPHJRRCANFJC-HSZRJFAPSA-N 1 2 414.509 3.522 20 30 HHEDLO CC[NH+]1CCN(C(=O)c2sc(-c3ccc(OCC(C)C)c(C#N)c3)nc2C)CC1 ZINC000486945326 999015228 /nfs/dbraw/zinc/01/52/28/999015228.db2.gz RRITVBYUSFXICJ-UHFFFAOYSA-N 1 2 412.559 3.803 20 30 HHEDLO C[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000487373271 999151033 /nfs/dbraw/zinc/15/10/33/999151033.db2.gz OYIZHJDTBPJAOQ-WMZHIEFXSA-N 1 2 408.521 3.888 20 30 HHEDLO N#Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Br ZINC000487987674 999337915 /nfs/dbraw/zinc/33/79/15/999337915.db2.gz WWQIHVMVKVPZRJ-UHFFFAOYSA-N 1 2 414.238 3.967 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCO1 ZINC000488264156 999415560 /nfs/dbraw/zinc/41/55/60/999415560.db2.gz NOKQSDXGZJEOQO-NRFANRHFSA-N 1 2 422.529 3.678 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCO1 ZINC000488264156 999415563 /nfs/dbraw/zinc/41/55/63/999415563.db2.gz NOKQSDXGZJEOQO-NRFANRHFSA-N 1 2 422.529 3.678 20 30 HHEDLO CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1cc(Cl)ccc1C#N ZINC000479572970 999484769 /nfs/dbraw/zinc/48/47/69/999484769.db2.gz GPTLRGKUTKVWKU-UHFFFAOYSA-N 1 2 407.861 3.714 20 30 HHEDLO Cc1ccc2c(ncc(C#N)c2N2CCN(c3cccc[nH+]3)CC2)c1Br ZINC000479848262 999623792 /nfs/dbraw/zinc/62/37/92/999623792.db2.gz NHPLYBGSLCSOCI-UHFFFAOYSA-N 1 2 408.303 3.899 20 30 HHEDLO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000489601466 999800506 /nfs/dbraw/zinc/80/05/06/999800506.db2.gz BQSBNKQGYMSNMR-OAQYLSRUSA-N 1 2 405.498 3.519 20 30 HHEDLO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000489601466 999800510 /nfs/dbraw/zinc/80/05/10/999800510.db2.gz BQSBNKQGYMSNMR-OAQYLSRUSA-N 1 2 405.498 3.519 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236001 999917731 /nfs/dbraw/zinc/91/77/31/999917731.db2.gz BVCNGGVQZXVPFI-FCHUYYIVSA-N 1 2 410.468 3.979 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236001 999917732 /nfs/dbraw/zinc/91/77/32/999917732.db2.gz BVCNGGVQZXVPFI-FCHUYYIVSA-N 1 2 410.468 3.979 20 30 HHEDLO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000490816612 1000010855 /nfs/dbraw/zinc/01/08/55/1000010855.db2.gz CWWIDCJQAJPVJD-HXUWFJFHSA-N 1 2 405.527 3.656 20 30 HHEDLO Cc1cc(N2CCN(Cc3cc(C#N)ccc3Br)CC2)nc(C(C)C)[nH+]1 ZINC000492358449 1000123646 /nfs/dbraw/zinc/12/36/46/1000123646.db2.gz RZQSGEPVVQPMGZ-UHFFFAOYSA-N 1 2 414.351 3.865 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000505242306 1000640976 /nfs/dbraw/zinc/64/09/76/1000640976.db2.gz JFMWOCREWDUQIX-UHFFFAOYSA-N 1 2 409.505 3.718 20 30 HHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1)CCCC2 ZINC000494783012 1000654019 /nfs/dbraw/zinc/65/40/19/1000654019.db2.gz ONDHFQWJSTYBHV-JTSKRJEESA-N 1 2 421.545 3.521 20 30 HHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1)CCCC2 ZINC000494783012 1000654023 /nfs/dbraw/zinc/65/40/23/1000654023.db2.gz ONDHFQWJSTYBHV-JTSKRJEESA-N 1 2 421.545 3.521 20 30 HHEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000505778279 1001018424 /nfs/dbraw/zinc/01/84/24/1001018424.db2.gz UAYYULCWEMVCAQ-UHFFFAOYSA-N 1 2 404.363 3.630 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1OC ZINC000506028058 1001173707 /nfs/dbraw/zinc/17/37/07/1001173707.db2.gz WTHHOZHBYDVGEX-UHFFFAOYSA-N 1 2 423.557 3.633 20 30 HHEDLO C=CCc1cc(C[NH+]2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc(OC)c1O ZINC000506041400 1001184711 /nfs/dbraw/zinc/18/47/11/1001184711.db2.gz UUABMEYVKZAJSI-UHFFFAOYSA-N 1 2 423.557 3.502 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(C#N)ccc3Cl)CCCC2)no1 ZINC000506814297 1001545276 /nfs/dbraw/zinc/54/52/76/1001545276.db2.gz IZLFJDUWXCMZDN-UHFFFAOYSA-N 1 2 401.898 3.636 20 30 HHEDLO N#Cc1ccc(N2CCC(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)c(F)c1 ZINC000506824555 1001551079 /nfs/dbraw/zinc/55/10/79/1001551079.db2.gz XVQKBDRJOKQYGQ-UHFFFAOYSA-N 1 2 421.451 3.555 20 30 HHEDLO COc1cc(C2(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)CCC2)ccc1C ZINC000498582722 1001994423 /nfs/dbraw/zinc/99/44/23/1001994423.db2.gz HOYMNOLVDGYCPL-UHFFFAOYSA-N 1 2 403.526 3.641 20 30 HHEDLO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnn1-c1ccc(C)cc1 ZINC000507396067 1002047110 /nfs/dbraw/zinc/04/71/10/1002047110.db2.gz BFMLIDSBZHFEDC-VGSWGCGISA-N 1 2 414.513 3.602 20 30 HHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000507534627 1002143726 /nfs/dbraw/zinc/14/37/26/1002143726.db2.gz SSBYHRADUQZVDS-DEOSSOPVSA-N 1 2 400.526 3.708 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000507858891 1002395617 /nfs/dbraw/zinc/39/56/17/1002395617.db2.gz IPBINXKVUVUUAV-FQEVSTJZSA-N 1 2 420.351 3.621 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000507858891 1002395605 /nfs/dbraw/zinc/39/56/05/1002395605.db2.gz IPBINXKVUVUUAV-FQEVSTJZSA-N 1 2 420.351 3.621 20 30 HHEDLO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508466727 1002952413 /nfs/dbraw/zinc/95/24/13/1002952413.db2.gz VTVBLQCKKMCGGH-UHFFFAOYSA-N 1 2 408.937 3.810 20 30 HHEDLO Cn1cc(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000508585745 1003046999 /nfs/dbraw/zinc/04/69/99/1003046999.db2.gz CIYJGMHJMJTBFO-UHFFFAOYSA-N 1 2 422.536 3.956 20 30 HHEDLO Cn1cc(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000508585745 1003046991 /nfs/dbraw/zinc/04/69/91/1003046991.db2.gz CIYJGMHJMJTBFO-UHFFFAOYSA-N 1 2 422.536 3.956 20 30 HHEDLO C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508700834 1003137802 /nfs/dbraw/zinc/13/78/02/1003137802.db2.gz RXRKGYGKEMLYOT-UHFFFAOYSA-N 1 2 407.522 3.581 20 30 HHEDLO CCC[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)c1ccccc1Br ZINC000508726860 1003167310 /nfs/dbraw/zinc/16/73/10/1003167310.db2.gz YIFBFVJGQLHSJA-INIZCTEOSA-N 1 2 405.340 3.878 20 30 HHEDLO CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)c1ccccc1Br ZINC000508726860 1003167320 /nfs/dbraw/zinc/16/73/20/1003167320.db2.gz YIFBFVJGQLHSJA-INIZCTEOSA-N 1 2 405.340 3.878 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(Cl)cc2)C1 ZINC000499934159 1003256654 /nfs/dbraw/zinc/25/66/54/1003256654.db2.gz VTCUIDGSVAMWOL-OALUTQOASA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(Cl)cc2)C1 ZINC000499934159 1003256660 /nfs/dbraw/zinc/25/66/60/1003256660.db2.gz VTCUIDGSVAMWOL-OALUTQOASA-N 1 2 402.857 3.544 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499942216 1003265644 /nfs/dbraw/zinc/26/56/44/1003265644.db2.gz XXJTUEOBUHXJPH-CXAGYDPISA-N 1 2 421.925 3.993 20 30 HHEDLO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508865278 1003284892 /nfs/dbraw/zinc/28/48/92/1003284892.db2.gz UQABYGKYKCZXEO-FQEVSTJZSA-N 1 2 418.545 3.943 20 30 HHEDLO Cc1onc(CC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)c1C#N ZINC000499973058 1003290243 /nfs/dbraw/zinc/29/02/43/1003290243.db2.gz NKNSTQAQCCVIHC-UHFFFAOYSA-N 1 2 415.856 3.505 20 30 HHEDLO C=CCn1c(-c2ccccc2C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000508873137 1003293381 /nfs/dbraw/zinc/29/33/81/1003293381.db2.gz MEVASLZPOMQIBV-UHFFFAOYSA-N 1 2 421.520 3.909 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000509242495 1003649045 /nfs/dbraw/zinc/64/90/45/1003649045.db2.gz AWZSQLJVJFJZBR-XQBPLPMBSA-N 1 2 413.562 3.573 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000509242495 1003649040 /nfs/dbraw/zinc/64/90/40/1003649040.db2.gz AWZSQLJVJFJZBR-XQBPLPMBSA-N 1 2 413.562 3.573 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000509248944 1003653582 /nfs/dbraw/zinc/65/35/82/1003653582.db2.gz VJXSPVHWNXBPCX-QGZVFWFLSA-N 1 2 408.502 3.876 20 30 HHEDLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000500599048 1003813283 /nfs/dbraw/zinc/81/32/83/1003813283.db2.gz ILZQXJYMTUDIKO-YXTQBTIXSA-N 1 2 419.573 3.558 20 30 HHEDLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000500743422 1003932080 /nfs/dbraw/zinc/93/20/80/1003932080.db2.gz CHEGEHPRWUZWMO-UHFFFAOYSA-N 1 2 421.541 3.709 20 30 HHEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000500867365 1004014575 /nfs/dbraw/zinc/01/45/75/1004014575.db2.gz NPOFTEFYLNSPPT-QHCPKHFHSA-N 1 2 424.497 3.989 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(OCc4ccccc4C#N)cc3)n2)C1 ZINC000500869924 1004016575 /nfs/dbraw/zinc/01/65/75/1004016575.db2.gz SESUOMCZXQVHNH-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(OCc4ccccc4C#N)cc3)n2)C1 ZINC000500869924 1004016582 /nfs/dbraw/zinc/01/65/82/1004016582.db2.gz SESUOMCZXQVHNH-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000512217018 1004118385 /nfs/dbraw/zinc/11/83/85/1004118385.db2.gz DJKLAPBQNFCYLT-UHFFFAOYSA-N 1 2 417.513 3.775 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000512217018 1004118396 /nfs/dbraw/zinc/11/83/96/1004118396.db2.gz DJKLAPBQNFCYLT-UHFFFAOYSA-N 1 2 417.513 3.775 20 30 HHEDLO Cc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)s1 ZINC000501062249 1004164240 /nfs/dbraw/zinc/16/42/40/1004164240.db2.gz ICCWVMMMBDYMGZ-QGZVFWFLSA-N 1 2 405.365 3.905 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501121413 1004218445 /nfs/dbraw/zinc/21/84/45/1004218445.db2.gz NZYPNCTVMLHWES-LEWJYISDSA-N 1 2 419.472 3.583 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000501121413 1004218452 /nfs/dbraw/zinc/21/84/52/1004218452.db2.gz NZYPNCTVMLHWES-LEWJYISDSA-N 1 2 419.472 3.583 20 30 HHEDLO Cc1cc(C(=O)N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c(C)o1 ZINC000510192331 1004387588 /nfs/dbraw/zinc/38/75/88/1004387588.db2.gz MWZAGJBATNDGGE-UHFFFAOYSA-N 1 2 417.513 3.632 20 30 HHEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000510432965 1004563400 /nfs/dbraw/zinc/56/34/00/1004563400.db2.gz VMPNOOVQUCATHK-SFHVURJKSA-N 1 2 415.902 3.614 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818350 1004578423 /nfs/dbraw/zinc/57/84/23/1004578423.db2.gz SHJDOLMAIGSTIF-CYBMUJFWSA-N 1 2 402.857 3.616 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512818423 1004578818 /nfs/dbraw/zinc/57/88/18/1004578818.db2.gz UANLZOWJTAYBND-HNNXBMFYSA-N 1 2 420.435 3.605 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512818423 1004578824 /nfs/dbraw/zinc/57/88/24/1004578824.db2.gz UANLZOWJTAYBND-HNNXBMFYSA-N 1 2 420.435 3.605 20 30 HHEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000513091485 1004800494 /nfs/dbraw/zinc/80/04/94/1004800494.db2.gz ZAFHTHQSKXKJDJ-UHFFFAOYSA-N 1 2 419.395 3.530 20 30 HHEDLO C[N@H+](CCc1nccs1)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000510774356 1004845655 /nfs/dbraw/zinc/84/56/55/1004845655.db2.gz QQWMLGAWQUUAGI-UHFFFAOYSA-N 1 2 419.554 3.797 20 30 HHEDLO C[N@@H+](CCc1nccs1)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 ZINC000510774356 1004845662 /nfs/dbraw/zinc/84/56/62/1004845662.db2.gz QQWMLGAWQUUAGI-UHFFFAOYSA-N 1 2 419.554 3.797 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)c1C#N ZINC000513275255 1004891175 /nfs/dbraw/zinc/89/11/75/1004891175.db2.gz CLGZJMZPJHMOIK-HNNXBMFYSA-N 1 2 423.467 3.987 20 30 HHEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000511144893 1005043632 /nfs/dbraw/zinc/04/36/32/1005043632.db2.gz UDYWOKJQRDKTJU-UHFFFAOYSA-N 1 2 407.905 3.888 20 30 HHEDLO Cc1cc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(-c2ccc(F)cc2)n1 ZINC000502508780 1005096277 /nfs/dbraw/zinc/09/62/77/1005096277.db2.gz SEYZYOGCCXERJH-UHFFFAOYSA-N 1 2 415.472 3.919 20 30 HHEDLO Cc1cc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(-c2ccc(F)cc2)n1 ZINC000502508780 1005096281 /nfs/dbraw/zinc/09/62/81/1005096281.db2.gz SEYZYOGCCXERJH-UHFFFAOYSA-N 1 2 415.472 3.919 20 30 HHEDLO Cc1nc(SCC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c(C#N)c(C)c1C ZINC000513987365 1005214923 /nfs/dbraw/zinc/21/49/23/1005214923.db2.gz LMXAEPHOPYBCIB-LJQANCHMSA-N 1 2 414.962 3.797 20 30 HHEDLO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000514925392 1006207510 /nfs/dbraw/zinc/20/75/10/1006207510.db2.gz YCGRDDXZYWWEKW-FQEVSTJZSA-N 1 2 404.558 3.506 20 30 HHEDLO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000514925392 1006207513 /nfs/dbraw/zinc/20/75/13/1006207513.db2.gz YCGRDDXZYWWEKW-FQEVSTJZSA-N 1 2 404.558 3.506 20 30 HHEDLO C=CCn1c(-c2ncccc2C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000515921780 1006765708 /nfs/dbraw/zinc/76/57/08/1006765708.db2.gz KLJDGQAFCAYFCE-UHFFFAOYSA-N 1 2 417.561 3.972 20 30 HHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000532351571 1006812899 /nfs/dbraw/zinc/81/28/99/1006812899.db2.gz BNGWBPZUPCWBSF-IQGLISFBSA-N 1 2 421.541 3.659 20 30 HHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000532351571 1006812913 /nfs/dbraw/zinc/81/29/13/1006812913.db2.gz BNGWBPZUPCWBSF-IQGLISFBSA-N 1 2 421.541 3.659 20 30 HHEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000532524120 1006960899 /nfs/dbraw/zinc/96/08/99/1006960899.db2.gz OFXFARBAKNMELE-DEOSSOPVSA-N 1 2 421.541 3.769 20 30 HHEDLO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000532524120 1006960907 /nfs/dbraw/zinc/96/09/07/1006960907.db2.gz OFXFARBAKNMELE-DEOSSOPVSA-N 1 2 421.541 3.769 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)c1 ZINC000532557527 1006991823 /nfs/dbraw/zinc/99/18/23/1006991823.db2.gz GINYDIVYNKUUOI-UHFFFAOYSA-N 1 2 405.414 3.560 20 30 HHEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560864 1006992418 /nfs/dbraw/zinc/99/24/18/1006992418.db2.gz WNCPOYOGUGAAPP-INIZCTEOSA-N 1 2 405.527 3.707 20 30 HHEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560864 1006992426 /nfs/dbraw/zinc/99/24/26/1006992426.db2.gz WNCPOYOGUGAAPP-INIZCTEOSA-N 1 2 405.527 3.707 20 30 HHEDLO N#Cc1ccc(C2=CC[N@H+]([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000535059178 1007084733 /nfs/dbraw/zinc/08/47/33/1007084733.db2.gz MCPDCOMREPMOSC-FQEVSTJZSA-N 1 2 409.848 3.772 20 30 HHEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000535059178 1007084749 /nfs/dbraw/zinc/08/47/49/1007084749.db2.gz MCPDCOMREPMOSC-FQEVSTJZSA-N 1 2 409.848 3.772 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000532726859 1007135886 /nfs/dbraw/zinc/13/58/86/1007135886.db2.gz JVGUIKDKHOWFSD-XUZZJYLKSA-N 1 2 404.558 3.695 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000532917362 1007289360 /nfs/dbraw/zinc/28/93/60/1007289360.db2.gz OVEDLMBWLUDYNT-UHFFFAOYSA-N 1 2 408.285 3.823 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000532917362 1007289368 /nfs/dbraw/zinc/28/93/68/1007289368.db2.gz OVEDLMBWLUDYNT-UHFFFAOYSA-N 1 2 408.285 3.823 20 30 HHEDLO CCOC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000532923687 1007295237 /nfs/dbraw/zinc/29/52/37/1007295237.db2.gz PUJQHGSRKJMEAX-MRXNPFEDSA-N 1 2 403.548 3.542 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C3)cs1 ZINC000539001593 1007299928 /nfs/dbraw/zinc/29/99/28/1007299928.db2.gz UNLIZOMZTGCMSF-RBZFPXEDSA-N 1 2 402.589 3.981 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C3)cs1 ZINC000539001593 1007299935 /nfs/dbraw/zinc/29/99/35/1007299935.db2.gz UNLIZOMZTGCMSF-RBZFPXEDSA-N 1 2 402.589 3.981 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000533237895 1007558557 /nfs/dbraw/zinc/55/85/57/1007558557.db2.gz BRKIYEZTYYBDOQ-UHFFFAOYSA-N 1 2 403.313 3.621 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000533312291 1007627093 /nfs/dbraw/zinc/62/70/93/1007627093.db2.gz PRYJGXFQTUWYDI-HKUYNNGSSA-N 1 2 411.468 3.982 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000533312291 1007627099 /nfs/dbraw/zinc/62/70/99/1007627099.db2.gz PRYJGXFQTUWYDI-HKUYNNGSSA-N 1 2 411.468 3.982 20 30 HHEDLO N#CCCCCS(=O)(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000517601707 1007805272 /nfs/dbraw/zinc/80/52/72/1007805272.db2.gz XLENSNZTKBIIFL-UHFFFAOYSA-N 1 2 408.527 3.712 20 30 HHEDLO N#Cc1ccc(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000533635421 1007942407 /nfs/dbraw/zinc/94/24/07/1007942407.db2.gz CSBCUUWPSGUEIV-UHFFFAOYSA-N 1 2 401.919 3.775 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccccc3OC(F)F)CC2)c1 ZINC000517907932 1008050335 /nfs/dbraw/zinc/05/03/35/1008050335.db2.gz LRPCDFNSMGISNN-UHFFFAOYSA-N 1 2 401.413 3.642 20 30 HHEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000533767918 1008093292 /nfs/dbraw/zinc/09/32/92/1008093292.db2.gz SOVNHOFQUVZSKA-CQSZACIVSA-N 1 2 407.539 3.739 20 30 HHEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000533767918 1008093298 /nfs/dbraw/zinc/09/32/98/1008093298.db2.gz SOVNHOFQUVZSKA-CQSZACIVSA-N 1 2 407.539 3.739 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540231400 1008345869 /nfs/dbraw/zinc/34/58/69/1008345869.db2.gz ZICXBNDBFKSJOF-WIYYLYMNSA-N 1 2 401.869 3.681 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540231400 1008345871 /nfs/dbraw/zinc/34/58/71/1008345871.db2.gz ZICXBNDBFKSJOF-WIYYLYMNSA-N 1 2 401.869 3.681 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000519201762 1008605873 /nfs/dbraw/zinc/60/58/73/1008605873.db2.gz XWOBJCREEWVPPK-UHFFFAOYSA-N 1 2 405.414 3.560 20 30 HHEDLO COc1cccc([C@H]2[C@@H](NCc3nnc(-c4ccc(C#N)cc4)o3)CC[N@@H+]2C2CC2)c1 ZINC000549478079 1009075274 /nfs/dbraw/zinc/07/52/74/1009075274.db2.gz PAHVRRXMPSRVIJ-GMAHTHKFSA-N 1 2 415.497 3.684 20 30 HHEDLO COc1cccc([C@H]2[C@@H](NCc3nnc(-c4ccc(C#N)cc4)o3)CC[N@H+]2C2CC2)c1 ZINC000549478079 1009075288 /nfs/dbraw/zinc/07/52/88/1009075288.db2.gz PAHVRRXMPSRVIJ-GMAHTHKFSA-N 1 2 415.497 3.684 20 30 HHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1ccco1 ZINC000543487796 1009077104 /nfs/dbraw/zinc/07/71/04/1009077104.db2.gz QRXPZZCHUFBQNH-HXUWFJFHSA-N 1 2 406.486 3.534 20 30 HHEDLO Cc1nc(N2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)cc[nH+]1 ZINC000546109247 1009132400 /nfs/dbraw/zinc/13/24/00/1009132400.db2.gz HEGUPNRRTRWCRB-UHFFFAOYSA-N 1 2 415.522 3.770 20 30 HHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc1C ZINC000543547533 1009147099 /nfs/dbraw/zinc/14/70/99/1009147099.db2.gz YODLPZDHGOFHDE-FCMDLWKCSA-N 1 2 420.579 3.598 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000520041058 1009201117 /nfs/dbraw/zinc/20/11/17/1009201117.db2.gz HEISYHIJEZAZDD-IBGZPJMESA-N 1 2 412.603 3.741 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000549945261 1009554316 /nfs/dbraw/zinc/55/43/16/1009554316.db2.gz CMOFAEMFSWEHLW-UHFFFAOYSA-N 1 2 412.415 3.801 20 30 HHEDLO CC(C)Oc1c(F)cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000544267845 1009882058 /nfs/dbraw/zinc/88/20/58/1009882058.db2.gz MTTOVPZAURZAAY-UHFFFAOYSA-N 1 2 414.456 3.973 20 30 HHEDLO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cc2)c1 ZINC000551368128 1010544331 /nfs/dbraw/zinc/54/43/31/1010544331.db2.gz AYPDDDKYEHANKV-QHCPKHFHSA-N 1 2 417.465 3.684 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000522445888 1011017291 /nfs/dbraw/zinc/01/72/91/1011017291.db2.gz ZIBMYZQUUIJYFH-UHFFFAOYSA-N 1 2 415.497 3.933 20 30 HHEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000522532517 1011067073 /nfs/dbraw/zinc/06/70/73/1011067073.db2.gz BBHKTOOPODZMRE-UHFFFAOYSA-N 1 2 407.495 3.580 20 30 HHEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000522532517 1011067076 /nfs/dbraw/zinc/06/70/76/1011067076.db2.gz BBHKTOOPODZMRE-UHFFFAOYSA-N 1 2 407.495 3.580 20 30 HHEDLO CC(C)(CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)[NH+]1CCOCC1 ZINC000522572930 1011086252 /nfs/dbraw/zinc/08/62/52/1011086252.db2.gz AQEJSICYNWUFSG-UHFFFAOYSA-N 1 2 413.905 3.845 20 30 HHEDLO Cc1cc([C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)ccc1F ZINC000536212352 1011359210 /nfs/dbraw/zinc/35/92/10/1011359210.db2.gz BSPKKSLDVLQIHZ-QHCPKHFHSA-N 1 2 406.505 3.984 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c1C ZINC000541085458 1011727205 /nfs/dbraw/zinc/72/72/05/1011727205.db2.gz CQUKTXKCCJAEGY-OCCSQVGLSA-N 1 2 409.412 3.648 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c1C ZINC000541085458 1011727216 /nfs/dbraw/zinc/72/72/16/1011727216.db2.gz CQUKTXKCCJAEGY-OCCSQVGLSA-N 1 2 409.412 3.648 20 30 HHEDLO Cc1ccnc(OC2CC[NH+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)c1 ZINC000541124777 1011781722 /nfs/dbraw/zinc/78/17/22/1011781722.db2.gz XFTADSTVEIODRG-UHFFFAOYSA-N 1 2 406.530 3.797 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536918165 1012196653 /nfs/dbraw/zinc/19/66/53/1012196653.db2.gz YYWZUBBJZXTVHJ-WMZOPIPTSA-N 1 2 407.276 3.964 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536918165 1012196662 /nfs/dbraw/zinc/19/66/62/1012196662.db2.gz YYWZUBBJZXTVHJ-WMZOPIPTSA-N 1 2 407.276 3.964 20 30 HHEDLO C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000552279235 1012292706 /nfs/dbraw/zinc/29/27/06/1012292706.db2.gz XAUZMPQBXJPYMW-OALUTQOASA-N 1 2 422.529 3.562 20 30 HHEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000552332369 1012340811 /nfs/dbraw/zinc/34/08/11/1012340811.db2.gz OKLWECHVBOHNQU-RUZDIDTESA-N 1 2 405.542 3.877 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(OC)c1 ZINC000552343621 1012355394 /nfs/dbraw/zinc/35/53/94/1012355394.db2.gz HXXUWBPEQVOVJW-GOSISDBHSA-N 1 2 412.505 3.847 20 30 HHEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537435089 1012924047 /nfs/dbraw/zinc/92/40/47/1012924047.db2.gz KUFUUALOTSLPDH-ZWKOTPCHSA-N 1 2 401.935 3.616 20 30 HHEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537435089 1012924061 /nfs/dbraw/zinc/92/40/61/1012924061.db2.gz KUFUUALOTSLPDH-ZWKOTPCHSA-N 1 2 401.935 3.616 20 30 HHEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000536741019 1072192309 /nfs/dbraw/zinc/19/23/09/1072192309.db2.gz DQTDEANKXIDRLA-QGZVFWFLSA-N 1 2 411.333 3.549 20 30 HHEDLO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000536741019 1072192313 /nfs/dbraw/zinc/19/23/13/1072192313.db2.gz DQTDEANKXIDRLA-QGZVFWFLSA-N 1 2 411.333 3.549 20 30 HHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC001142534818 1072429011 /nfs/dbraw/zinc/42/90/11/1072429011.db2.gz XVHADAVPNDKPFQ-UHFFFAOYSA-N 1 2 403.832 3.974 20 30 HHEDLO COC(=O)c1cccc(C[NH+]2CCC(F)(c3cc(OC)cc(OC)c3)CC2)c1C#N ZINC000555133827 1073185681 /nfs/dbraw/zinc/18/56/81/1073185681.db2.gz YBMZLIPXFVWPPF-UHFFFAOYSA-N 1 2 412.461 3.823 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000590089746 1073527137 /nfs/dbraw/zinc/52/71/37/1073527137.db2.gz ZIXWIEGBEBKSMQ-UHFFFAOYSA-N 1 2 416.447 3.601 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000590614984 1073942261 /nfs/dbraw/zinc/94/22/61/1073942261.db2.gz XAKSKCQENKDARN-NRFANRHFSA-N 1 2 420.557 3.538 20 30 HHEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1COc2ccccc2O1 ZINC000590926419 1074039035 /nfs/dbraw/zinc/03/90/35/1074039035.db2.gz DAECZWNPSNGZSN-LJQANCHMSA-N 1 2 413.905 3.749 20 30 HHEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1COc2ccccc2O1 ZINC000590926419 1074039043 /nfs/dbraw/zinc/03/90/43/1074039043.db2.gz DAECZWNPSNGZSN-LJQANCHMSA-N 1 2 413.905 3.749 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000574317174 1075219520 /nfs/dbraw/zinc/21/95/20/1075219520.db2.gz LUNWREQALHZKPA-TZIWHRDSSA-N 1 2 416.447 3.653 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCCc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000574317174 1075219521 /nfs/dbraw/zinc/21/95/21/1075219521.db2.gz LUNWREQALHZKPA-TZIWHRDSSA-N 1 2 416.447 3.653 20 30 HHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C/c3c[nH+]c4ccc(C)cn34)c2)cc1 ZINC000761206880 1075597654 /nfs/dbraw/zinc/59/76/54/1075597654.db2.gz YGWVHQJWCZYBTB-RMKNXTFCSA-N 1 2 405.479 3.886 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C#N)cc(C)n1)CC2 ZINC001164658559 719355263 /nfs/dbraw/zinc/35/52/63/719355263.db2.gz IZKUGCDKJHLYIE-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C#N)cc(C)n1)CC2 ZINC001164658559 719355265 /nfs/dbraw/zinc/35/52/65/719355265.db2.gz IZKUGCDKJHLYIE-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO N#Cc1c(Cl)ccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674354 719500150 /nfs/dbraw/zinc/50/01/50/719500150.db2.gz VEUODNCQWYXACT-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO N#Cc1c(Cl)ccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674354 719500157 /nfs/dbraw/zinc/50/01/57/719500157.db2.gz VEUODNCQWYXACT-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO N#Cc1cnc2ccc(Cl)cc2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301641897 971012437 /nfs/dbraw/zinc/01/24/37/971012437.db2.gz MOHKAUIRXDDAEN-YADHBBJMSA-N 1 2 404.901 3.849 20 30 HHEDLO N#Cc1cnc2ccc(Cl)cc2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301641897 971012447 /nfs/dbraw/zinc/01/24/47/971012447.db2.gz MOHKAUIRXDDAEN-YADHBBJMSA-N 1 2 404.901 3.849 20 30 HHEDLO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000302816427 971334176 /nfs/dbraw/zinc/33/41/76/971334176.db2.gz WAUCRHSIOJLMRV-HXUWFJFHSA-N 1 2 406.530 3.543 20 30 HHEDLO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000303394746 971679759 /nfs/dbraw/zinc/67/97/59/971679759.db2.gz PJOZPRJFOCFGDX-ZWKOTPCHSA-N 1 2 416.591 3.505 20 30 HHEDLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000303394746 971679765 /nfs/dbraw/zinc/67/97/65/971679765.db2.gz PJOZPRJFOCFGDX-ZWKOTPCHSA-N 1 2 416.591 3.505 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303635167 971915089 /nfs/dbraw/zinc/91/50/89/971915089.db2.gz GCYHZBBHHIXUNY-GCJKJVERSA-N 1 2 422.504 3.588 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303635167 971915094 /nfs/dbraw/zinc/91/50/94/971915094.db2.gz GCYHZBBHHIXUNY-GCJKJVERSA-N 1 2 422.504 3.588 20 30 HHEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000303829234 972365423 /nfs/dbraw/zinc/36/54/23/972365423.db2.gz LGIBIJASUCUGJZ-UHFFFAOYSA-N 1 2 405.523 3.526 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008318633 961516026 /nfs/dbraw/zinc/51/60/26/961516026.db2.gz JSOODXYQIGZVSS-SFHVURJKSA-N 1 2 409.511 3.849 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008318633 961516033 /nfs/dbraw/zinc/51/60/33/961516033.db2.gz JSOODXYQIGZVSS-SFHVURJKSA-N 1 2 409.511 3.849 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000010762638 961906094 /nfs/dbraw/zinc/90/60/94/961906094.db2.gz KCEUWATVSQOBMG-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000010762638 961906097 /nfs/dbraw/zinc/90/60/97/961906097.db2.gz KCEUWATVSQOBMG-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO COc1cc(CCC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc(OC)c1 ZINC000011413090 962079529 /nfs/dbraw/zinc/07/95/29/962079529.db2.gz FDNXZUFEWLTHEZ-UHFFFAOYSA-N 1 2 413.543 3.920 20 30 HHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000553406490 1013332463 /nfs/dbraw/zinc/33/24/63/1013332463.db2.gz AXJMLKKCNXSAFG-LJQANCHMSA-N 1 2 401.417 3.600 20 30 HHEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21 ZINC000014708446 962558519 /nfs/dbraw/zinc/55/85/19/962558519.db2.gz IFKRGKNRRWITBA-UHFFFAOYSA-N 1 2 414.509 3.632 20 30 HHEDLO C=CCn1c2ccccc2nc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019180371 963354280 /nfs/dbraw/zinc/35/42/80/963354280.db2.gz KTERVHWDYRKROY-UHFFFAOYSA-N 1 2 422.554 3.785 20 30 HHEDLO C[C@H](c1nnc(SCC(=O)Nc2ccc(C#N)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000022522547 963667165 /nfs/dbraw/zinc/66/71/65/963667165.db2.gz QDRZVFGEWWLRQD-CQSZACIVSA-N 1 2 424.505 3.631 20 30 HHEDLO CCC[C@H](NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000022778415 963714789 /nfs/dbraw/zinc/71/47/89/963714789.db2.gz RZZVHEIVJCOSMP-YKSBVNFPSA-N 1 2 404.558 3.722 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000025056373 964155683 /nfs/dbraw/zinc/15/56/83/964155683.db2.gz VGOULSMCOGMKTC-UHFFFAOYSA-N 1 2 419.525 3.927 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000051211873 964493760 /nfs/dbraw/zinc/49/37/60/964493760.db2.gz IXXLBPVDKXKAFY-KPKJPENVSA-N 1 2 416.569 3.881 20 30 HHEDLO Cc1ccc(CSCCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000026257101 964507429 /nfs/dbraw/zinc/50/74/29/964507429.db2.gz VJBBKGSBTBRBJS-UHFFFAOYSA-N 1 2 408.571 3.627 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)o1 ZINC000051376821 964552673 /nfs/dbraw/zinc/55/26/73/964552673.db2.gz FPJBNFFDBQFXBM-UHFFFAOYSA-N 1 2 402.454 3.655 20 30 HHEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000027051565 964763858 /nfs/dbraw/zinc/76/38/58/964763858.db2.gz FGOUSBFAZLWHAL-KRWDZBQOSA-N 1 2 421.806 3.994 20 30 HHEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000027051565 964763871 /nfs/dbraw/zinc/76/38/71/964763871.db2.gz FGOUSBFAZLWHAL-KRWDZBQOSA-N 1 2 421.806 3.994 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccccc1 ZINC000027777209 964970285 /nfs/dbraw/zinc/97/02/85/964970285.db2.gz JOYKNQWJJOISES-IBGZPJMESA-N 1 2 417.431 3.981 20 30 HHEDLO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccccc1 ZINC000027777209 964970297 /nfs/dbraw/zinc/97/02/97/964970297.db2.gz JOYKNQWJJOISES-IBGZPJMESA-N 1 2 417.431 3.981 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1 ZINC000027776300 964970378 /nfs/dbraw/zinc/97/03/78/964970378.db2.gz GAKRHTGYXCIUEF-UHFFFAOYSA-N 1 2 415.419 3.913 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1 ZINC000027776300 964970387 /nfs/dbraw/zinc/97/03/87/964970387.db2.gz GAKRHTGYXCIUEF-UHFFFAOYSA-N 1 2 415.419 3.913 20 30 HHEDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1cn(-c2ccccc2)nn1 ZINC000542621390 1013556632 /nfs/dbraw/zinc/55/66/32/1013556632.db2.gz DFBAGPBUKAEKGF-DLBZAZTESA-N 1 2 420.542 3.951 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000029192346 965302378 /nfs/dbraw/zinc/30/23/78/965302378.db2.gz GKEQNSVRTXYWAX-UHFFFAOYSA-N 1 2 423.582 3.932 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859790 965530708 /nfs/dbraw/zinc/53/07/08/965530708.db2.gz BMQHZFWRANWIBD-IBGZPJMESA-N 1 2 408.521 3.645 20 30 HHEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000029931474 965566357 /nfs/dbraw/zinc/56/63/57/965566357.db2.gz PHGCILSUYNXJQK-UHFFFAOYSA-N 1 2 421.545 3.522 20 30 HHEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000029931474 965566368 /nfs/dbraw/zinc/56/63/68/965566368.db2.gz PHGCILSUYNXJQK-UHFFFAOYSA-N 1 2 421.545 3.522 20 30 HHEDLO CCOC1CC[NH+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000060484659 966166403 /nfs/dbraw/zinc/16/64/03/966166403.db2.gz YDPGAFJOHSRAAF-UHFFFAOYSA-N 1 2 406.530 3.667 20 30 HHEDLO CC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000056691749 966419739 /nfs/dbraw/zinc/41/97/39/966419739.db2.gz GFVNAFFBNOCRAU-UHFFFAOYSA-N 1 2 411.893 3.520 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCOc4c(Cl)cccc43)CC2)cc1 ZINC000056804653 966472893 /nfs/dbraw/zinc/47/28/93/966472893.db2.gz REDRKEMYUOAQBZ-FQEVSTJZSA-N 1 2 410.905 3.563 20 30 HHEDLO COC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000063522811 966882139 /nfs/dbraw/zinc/88/21/39/966882139.db2.gz MKISWBVOTVHAMN-UHFFFAOYSA-N 1 2 411.527 3.502 20 30 HHEDLO COC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000063522811 966882143 /nfs/dbraw/zinc/88/21/43/966882143.db2.gz MKISWBVOTVHAMN-UHFFFAOYSA-N 1 2 411.527 3.502 20 30 HHEDLO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OCC ZINC000043417062 966968972 /nfs/dbraw/zinc/96/89/72/966968972.db2.gz QJAKLENIANCQIQ-UHFFFAOYSA-N 1 2 408.502 3.705 20 30 HHEDLO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000044209141 967163122 /nfs/dbraw/zinc/16/31/22/967163122.db2.gz KXDSGRPFJGOORZ-UHFFFAOYSA-N 1 2 414.513 3.711 20 30 HHEDLO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000064638460 967254318 /nfs/dbraw/zinc/25/43/18/967254318.db2.gz DLJGSYMHBVIVMJ-UKRRQHHQSA-N 1 2 413.547 3.787 20 30 HHEDLO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)n1 ZINC000064638460 967254329 /nfs/dbraw/zinc/25/43/29/967254329.db2.gz DLJGSYMHBVIVMJ-UKRRQHHQSA-N 1 2 413.547 3.787 20 30 HHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCCN(c2ccccc2C#N)CC1 ZINC000065227482 967413815 /nfs/dbraw/zinc/41/38/15/967413815.db2.gz VKUJQRBAWUVYIE-UHFFFAOYSA-N 1 2 400.482 4.000 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000045433212 967460609 /nfs/dbraw/zinc/46/06/09/967460609.db2.gz DFJWUTJCUMTOKD-UHFFFAOYSA-N 1 2 412.415 3.801 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000065513556 967500764 /nfs/dbraw/zinc/50/07/64/967500764.db2.gz LPYYZQWMECKTDO-UHFFFAOYSA-N 1 2 416.447 3.647 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000046484580 967822082 /nfs/dbraw/zinc/82/20/82/967822082.db2.gz KYDZLUYYOZZXHP-UZLBHIALSA-N 1 2 412.921 3.838 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000046484586 967822423 /nfs/dbraw/zinc/82/24/23/967822423.db2.gz KYDZLUYYOZZXHP-OXQOHEQNSA-N 1 2 412.921 3.838 20 30 HHEDLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@H+](C)Cc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000046526904 967841838 /nfs/dbraw/zinc/84/18/38/967841838.db2.gz UHQSRWNFACTBFW-CYBMUJFWSA-N 1 2 410.499 3.534 20 30 HHEDLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000046526904 967841843 /nfs/dbraw/zinc/84/18/43/967841843.db2.gz UHQSRWNFACTBFW-CYBMUJFWSA-N 1 2 410.499 3.534 20 30 HHEDLO N#Cc1ccccc1COc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000047123537 968059390 /nfs/dbraw/zinc/05/93/90/968059390.db2.gz LAKIPWKPVODPNM-UHFFFAOYSA-N 1 2 412.493 3.931 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000048415848 968545747 /nfs/dbraw/zinc/54/57/47/968545747.db2.gz OGLUGIVFHCDAFG-UHFFFAOYSA-N 1 2 412.415 3.801 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000065963523 968739362 /nfs/dbraw/zinc/73/93/62/968739362.db2.gz MIOBKXFRORYDBF-OAHLLOKOSA-N 1 2 416.953 3.700 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)ccc1Cl ZINC000096994185 969074397 /nfs/dbraw/zinc/07/43/97/969074397.db2.gz VLAPFRSWCYSZPA-UHFFFAOYSA-N 1 2 413.905 3.798 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)ccc1Cl ZINC000096994185 969074406 /nfs/dbraw/zinc/07/44/06/969074406.db2.gz VLAPFRSWCYSZPA-UHFFFAOYSA-N 1 2 413.905 3.798 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1cccs1 ZINC000105036343 969218751 /nfs/dbraw/zinc/21/87/51/969218751.db2.gz KLBBDNZYYJKQNT-UHFFFAOYSA-N 1 2 409.511 3.898 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccco1)Cc1cccs1 ZINC000105036343 969218758 /nfs/dbraw/zinc/21/87/58/969218758.db2.gz KLBBDNZYYJKQNT-UHFFFAOYSA-N 1 2 409.511 3.898 20 30 HHEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000554304686 1013902681 /nfs/dbraw/zinc/90/26/81/1013902681.db2.gz VZKUTLIJULZKPF-CQSZACIVSA-N 1 2 424.574 3.763 20 30 HHEDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000554304686 1013902687 /nfs/dbraw/zinc/90/26/87/1013902687.db2.gz VZKUTLIJULZKPF-CQSZACIVSA-N 1 2 424.574 3.763 20 30 HHEDLO NC(=NOCc1csc(C2CCCCC2)n1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000116446634 969895409 /nfs/dbraw/zinc/89/54/09/969895409.db2.gz NBJZPKDZUMGDNT-UHFFFAOYSA-N 1 2 414.575 3.860 20 30 HHEDLO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1nnnn1-c1ccccc1 ZINC000237597610 970318785 /nfs/dbraw/zinc/31/87/85/970318785.db2.gz ZNZLHQMNYYNMRI-SFHVURJKSA-N 1 2 410.481 3.964 20 30 HHEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000554621640 1013991302 /nfs/dbraw/zinc/99/13/02/1013991302.db2.gz UZADCUZMXRQAHZ-HNNXBMFYSA-N 1 2 404.356 3.672 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000410257119 973765841 /nfs/dbraw/zinc/76/58/41/973765841.db2.gz QHPRUMAMSFYMEO-LJQANCHMSA-N 1 2 409.530 3.742 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281328 973803923 /nfs/dbraw/zinc/80/39/23/973803923.db2.gz HTJVXKQSZWTFOY-KNQAVFIVSA-N 1 2 406.530 3.901 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281330 973804248 /nfs/dbraw/zinc/80/42/48/973804248.db2.gz HTJVXKQSZWTFOY-UGKGYDQZSA-N 1 2 406.530 3.901 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426184430 974294526 /nfs/dbraw/zinc/29/45/26/974294526.db2.gz USIPBRGCOWUWST-CVEARBPZSA-N 1 2 403.548 3.683 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426184430 974294533 /nfs/dbraw/zinc/29/45/33/974294533.db2.gz USIPBRGCOWUWST-CVEARBPZSA-N 1 2 403.548 3.683 20 30 HHEDLO COc1ccc(CCC(=O)N2CCC[N@H+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000427000804 974813385 /nfs/dbraw/zinc/81/33/85/974813385.db2.gz FXKWZSZWUCHFBT-UHFFFAOYSA-N 1 2 410.945 3.867 20 30 HHEDLO COc1ccc(CCC(=O)N2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000427000804 974813390 /nfs/dbraw/zinc/81/33/90/974813390.db2.gz FXKWZSZWUCHFBT-UHFFFAOYSA-N 1 2 410.945 3.867 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428722442 976010542 /nfs/dbraw/zinc/01/05/42/976010542.db2.gz HMCIRHIRPPIUPO-SIKLNZKXSA-N 1 2 412.484 3.941 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428722442 976010557 /nfs/dbraw/zinc/01/05/57/976010557.db2.gz HMCIRHIRPPIUPO-SIKLNZKXSA-N 1 2 412.484 3.941 20 30 HHEDLO COc1ccc(-c2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)c(OC)c1 ZINC000428779753 976052759 /nfs/dbraw/zinc/05/27/59/976052759.db2.gz LLBWMFQAURNQKT-SFHVURJKSA-N 1 2 422.510 3.747 20 30 HHEDLO COc1ccc(-c2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)c(OC)c1 ZINC000428779753 976052773 /nfs/dbraw/zinc/05/27/73/976052773.db2.gz LLBWMFQAURNQKT-SFHVURJKSA-N 1 2 422.510 3.747 20 30 HHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2c(Br)cccc12 ZINC000429062243 976349238 /nfs/dbraw/zinc/34/92/38/976349238.db2.gz UIHFFQHBGRVSCA-OAHLLOKOSA-N 1 2 422.330 3.975 20 30 HHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2c(Br)cccc12 ZINC000429062243 976349242 /nfs/dbraw/zinc/34/92/42/976349242.db2.gz UIHFFQHBGRVSCA-OAHLLOKOSA-N 1 2 422.330 3.975 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429244592 976534840 /nfs/dbraw/zinc/53/48/40/976534840.db2.gz GWSRXNSZBXHKLY-MOPGFXCFSA-N 1 2 424.520 3.680 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429244592 976534852 /nfs/dbraw/zinc/53/48/52/976534852.db2.gz GWSRXNSZBXHKLY-MOPGFXCFSA-N 1 2 424.520 3.680 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1C#N ZINC000431616637 978388131 /nfs/dbraw/zinc/38/81/31/978388131.db2.gz IDRXTXZBSNGJPB-HXUWFJFHSA-N 1 2 407.518 3.579 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1C#N ZINC000431616637 978388139 /nfs/dbraw/zinc/38/81/39/978388139.db2.gz IDRXTXZBSNGJPB-HXUWFJFHSA-N 1 2 407.518 3.579 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)no1 ZINC000431818852 978535849 /nfs/dbraw/zinc/53/58/49/978535849.db2.gz URDNPRWVHOKFLL-IBGZPJMESA-N 1 2 410.522 3.698 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)no1 ZINC000431818852 978535851 /nfs/dbraw/zinc/53/58/51/978535851.db2.gz URDNPRWVHOKFLL-IBGZPJMESA-N 1 2 410.522 3.698 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)c1 ZINC000432064576 978666149 /nfs/dbraw/zinc/66/61/49/978666149.db2.gz DWVPLGFKQLOKHB-LJQANCHMSA-N 1 2 413.522 3.851 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)c1 ZINC000432064576 978666150 /nfs/dbraw/zinc/66/61/50/978666150.db2.gz DWVPLGFKQLOKHB-LJQANCHMSA-N 1 2 413.522 3.851 20 30 HHEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000433768820 979560730 /nfs/dbraw/zinc/56/07/30/979560730.db2.gz MTMZXYPCJSMNEJ-UHFFFAOYSA-N 1 2 424.451 3.708 20 30 HHEDLO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000434837897 980434278 /nfs/dbraw/zinc/43/42/78/980434278.db2.gz WBCRZLLKXCLUON-UHFFFAOYSA-N 1 2 413.485 3.530 20 30 HHEDLO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000434837897 980434289 /nfs/dbraw/zinc/43/42/89/980434289.db2.gz WBCRZLLKXCLUON-UHFFFAOYSA-N 1 2 413.485 3.530 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000434856789 980451115 /nfs/dbraw/zinc/45/11/15/980451115.db2.gz UTUQBMOZGPUQJI-AZUAARDMSA-N 1 2 420.444 3.841 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000434856789 980451120 /nfs/dbraw/zinc/45/11/20/980451120.db2.gz UTUQBMOZGPUQJI-AZUAARDMSA-N 1 2 420.444 3.841 20 30 HHEDLO CCN(C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000434903642 980482508 /nfs/dbraw/zinc/48/25/08/980482508.db2.gz JYLKPBTWWMDMGY-UHFFFAOYSA-N 1 2 408.527 3.669 20 30 HHEDLO CCN(C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000434903642 980482514 /nfs/dbraw/zinc/48/25/14/980482514.db2.gz JYLKPBTWWMDMGY-UHFFFAOYSA-N 1 2 408.527 3.669 20 30 HHEDLO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(Cc2ccccc2)no1 ZINC000434986391 980551025 /nfs/dbraw/zinc/55/10/25/980551025.db2.gz OLGZAFRRVMAOGI-KRWDZBQOSA-N 1 2 413.485 3.683 20 30 HHEDLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434988640 980552584 /nfs/dbraw/zinc/55/25/84/980552584.db2.gz VCDIWZVGBVJOPW-SFHVURJKSA-N 1 2 406.559 3.799 20 30 HHEDLO N#CCCCn1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c2ccccc21 ZINC000435267341 980750518 /nfs/dbraw/zinc/75/05/18/980750518.db2.gz MHMJMFSSHGFNEJ-UHFFFAOYSA-N 1 2 416.525 3.782 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1C ZINC000435890026 981079121 /nfs/dbraw/zinc/07/91/21/981079121.db2.gz RHLVLHWFSSKFQY-AVRDEDQJSA-N 1 2 402.560 3.546 20 30 HHEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438623070 982944752 /nfs/dbraw/zinc/94/47/52/982944752.db2.gz CAKSTAXLADSZHV-UHFFFAOYSA-N 1 2 418.419 3.935 20 30 HHEDLO N#Cc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1C(F)(F)F ZINC000438639011 982958563 /nfs/dbraw/zinc/95/85/63/982958563.db2.gz UHORAYRRPWIVLT-UHFFFAOYSA-N 1 2 418.419 3.806 20 30 HHEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)c(C#N)c1C ZINC000438670934 982989896 /nfs/dbraw/zinc/98/98/96/982989896.db2.gz XTCMAZAJCLKHOI-OAQYLSRUSA-N 1 2 402.454 3.676 20 30 HHEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(Br)cc(C#N)c3)c2C1 ZINC000461431285 983094300 /nfs/dbraw/zinc/09/43/00/983094300.db2.gz MGFYNPGWQSBYIZ-UHFFFAOYSA-N 1 2 420.332 3.846 20 30 HHEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(Br)cc(C#N)c3)c2C1 ZINC000461431285 983094306 /nfs/dbraw/zinc/09/43/06/983094306.db2.gz MGFYNPGWQSBYIZ-UHFFFAOYSA-N 1 2 420.332 3.846 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000439355776 983377611 /nfs/dbraw/zinc/37/76/11/983377611.db2.gz JOCFVJLQXAQDGH-GOSISDBHSA-N 1 2 423.513 3.612 20 30 HHEDLO CCCc1c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439668265 983493061 /nfs/dbraw/zinc/49/30/61/983493061.db2.gz AOJPEJCQMCGCMN-UHFFFAOYSA-N 1 2 403.490 3.831 20 30 HHEDLO CCCc1c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439668265 983493063 /nfs/dbraw/zinc/49/30/63/983493063.db2.gz AOJPEJCQMCGCMN-UHFFFAOYSA-N 1 2 403.490 3.831 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000440930397 983984727 /nfs/dbraw/zinc/98/47/27/983984727.db2.gz RBBJOADTNHAYEL-MOPGFXCFSA-N 1 2 406.530 3.934 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000440930397 983984731 /nfs/dbraw/zinc/98/47/31/983984731.db2.gz RBBJOADTNHAYEL-MOPGFXCFSA-N 1 2 406.530 3.934 20 30 HHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCCC1 ZINC000441069515 984054068 /nfs/dbraw/zinc/05/40/68/984054068.db2.gz WDTFOAWTXSXNGL-CYBMUJFWSA-N 1 2 400.470 3.684 20 30 HHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCCCC1 ZINC000441069515 984054077 /nfs/dbraw/zinc/05/40/77/984054077.db2.gz WDTFOAWTXSXNGL-CYBMUJFWSA-N 1 2 400.470 3.684 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000441637618 984367885 /nfs/dbraw/zinc/36/78/85/984367885.db2.gz VQCJNXMUTSUCQW-CYBMUJFWSA-N 1 2 400.470 3.536 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000441637618 984367893 /nfs/dbraw/zinc/36/78/93/984367893.db2.gz VQCJNXMUTSUCQW-CYBMUJFWSA-N 1 2 400.470 3.536 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccsc3)C2)sc2c1CCCC2 ZINC000468112167 985774637 /nfs/dbraw/zinc/77/46/37/985774637.db2.gz WOOBQGQHOZISGA-KRWDZBQOSA-N 1 2 401.557 3.962 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccsc3)C2)sc2c1CCCC2 ZINC000468112167 985774644 /nfs/dbraw/zinc/77/46/44/985774644.db2.gz WOOBQGQHOZISGA-KRWDZBQOSA-N 1 2 401.557 3.962 20 30 HHEDLO C[C@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000463222275 986193300 /nfs/dbraw/zinc/19/33/00/986193300.db2.gz KMRNWYZQZAGOFK-LJQANCHMSA-N 1 2 405.523 3.990 20 30 HHEDLO C[C@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000463222275 986193305 /nfs/dbraw/zinc/19/33/05/986193305.db2.gz KMRNWYZQZAGOFK-LJQANCHMSA-N 1 2 405.523 3.990 20 30 HHEDLO COCC[N@H+](CC(=O)c1cc(C)n(Cc2ccco2)c1C)Cc1ccc(C#N)cc1 ZINC000444244585 986436849 /nfs/dbraw/zinc/43/68/49/986436849.db2.gz IXAMHITWWKPHGY-UHFFFAOYSA-N 1 2 405.498 3.949 20 30 HHEDLO COCC[N@@H+](CC(=O)c1cc(C)n(Cc2ccco2)c1C)Cc1ccc(C#N)cc1 ZINC000444244585 986436858 /nfs/dbraw/zinc/43/68/58/986436858.db2.gz IXAMHITWWKPHGY-UHFFFAOYSA-N 1 2 405.498 3.949 20 30 HHEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cn(CCCC#N)c4ccccc34)c2)CC1 ZINC000468913506 986620905 /nfs/dbraw/zinc/62/09/05/986620905.db2.gz JELBJYIRYQHPOC-UHFFFAOYSA-N 1 2 415.541 3.945 20 30 HHEDLO N#Cc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000463651084 986629511 /nfs/dbraw/zinc/62/95/11/986629511.db2.gz VMNVBAWJVITLMY-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000463761070 986752204 /nfs/dbraw/zinc/75/22/04/986752204.db2.gz SVZWSLZWCINYQX-SFHVURJKSA-N 1 2 410.514 3.788 20 30 HHEDLO COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463811404 986803850 /nfs/dbraw/zinc/80/38/50/986803850.db2.gz WLGWZWVQQCBCSB-JOCHJYFZSA-N 1 2 418.541 3.514 20 30 HHEDLO Cn1ccnc1COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000444772757 986931339 /nfs/dbraw/zinc/93/13/39/986931339.db2.gz OSBIIUQFVRDZEM-UHFFFAOYSA-N 1 2 421.932 3.846 20 30 HHEDLO C=CC[C@H]1[N@H+](CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CCCC1(C)C ZINC000444778564 986935952 /nfs/dbraw/zinc/93/59/52/986935952.db2.gz JEUMSFZQAGXVKF-GHTZIAJQSA-N 1 2 406.592 3.714 20 30 HHEDLO C=CC[C@H]1[N@@H+](CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CCCC1(C)C ZINC000444778564 986935959 /nfs/dbraw/zinc/93/59/59/986935959.db2.gz JEUMSFZQAGXVKF-GHTZIAJQSA-N 1 2 406.592 3.714 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000470010936 987622299 /nfs/dbraw/zinc/62/22/99/987622299.db2.gz DNHOPCGPXMQTEK-INIZCTEOSA-N 1 2 414.472 3.614 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000470010936 987622304 /nfs/dbraw/zinc/62/23/04/987622304.db2.gz DNHOPCGPXMQTEK-INIZCTEOSA-N 1 2 414.472 3.614 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)ccc3OC(F)F)CC2)cc1 ZINC000470268730 988219419 /nfs/dbraw/zinc/21/94/19/988219419.db2.gz OEVKDCIKODBNIA-UHFFFAOYSA-N 1 2 404.392 3.648 20 30 HHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[N@H+]1CCOC[C@@H]1C ZINC000470455312 988438833 /nfs/dbraw/zinc/43/88/33/988438833.db2.gz JBQOCDCMTQGRMW-HNNXBMFYSA-N 1 2 408.955 3.509 20 30 HHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[N@@H+]1CCOC[C@@H]1C ZINC000470455312 988438840 /nfs/dbraw/zinc/43/88/40/988438840.db2.gz JBQOCDCMTQGRMW-HNNXBMFYSA-N 1 2 408.955 3.509 20 30 HHEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000470890911 988964187 /nfs/dbraw/zinc/96/41/87/988964187.db2.gz DNORELJUMAAUCJ-HXUWFJFHSA-N 1 2 423.480 3.516 20 30 HHEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000471661817 989866561 /nfs/dbraw/zinc/86/65/61/989866561.db2.gz HMOCRDDJISEHJT-UHFFFAOYSA-N 1 2 408.502 3.722 20 30 HHEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000471700647 989903150 /nfs/dbraw/zinc/90/31/50/989903150.db2.gz LEANQHJEZGFFEV-UHFFFAOYSA-N 1 2 404.363 3.630 20 30 HHEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000471751660 989946122 /nfs/dbraw/zinc/94/61/22/989946122.db2.gz TWLANIHCOVIDHD-RXVVDRJESA-N 1 2 424.907 3.986 20 30 HHEDLO N#CCCCOc1cccnc1NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000466623108 991939339 /nfs/dbraw/zinc/93/93/39/991939339.db2.gz MRSCQTIWJTVBCH-UHFFFAOYSA-N 1 2 413.909 3.597 20 30 HHEDLO N#CCCCOc1cccnc1NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000466623108 991939344 /nfs/dbraw/zinc/93/93/44/991939344.db2.gz MRSCQTIWJTVBCH-UHFFFAOYSA-N 1 2 413.909 3.597 20 30 HHEDLO COCc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000467018779 992326611 /nfs/dbraw/zinc/32/66/11/992326611.db2.gz OPQJISUWAAJTHB-IBGZPJMESA-N 1 2 420.431 3.750 20 30 HHEDLO COCc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)o1 ZINC000467018779 992326624 /nfs/dbraw/zinc/32/66/24/992326624.db2.gz OPQJISUWAAJTHB-IBGZPJMESA-N 1 2 420.431 3.750 20 30 HHEDLO C=CCC(CC=C)C(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000467533918 992813523 /nfs/dbraw/zinc/81/35/23/992813523.db2.gz YASMYAIWQMGETD-UHFFFAOYSA-N 1 2 400.548 3.643 20 30 HHEDLO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472312066 993323925 /nfs/dbraw/zinc/32/39/25/993323925.db2.gz JBOPMOCJTLIUFA-QFBILLFUSA-N 1 2 402.857 3.926 20 30 HHEDLO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472312066 993323930 /nfs/dbraw/zinc/32/39/30/993323930.db2.gz JBOPMOCJTLIUFA-QFBILLFUSA-N 1 2 402.857 3.926 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473042049 993960736 /nfs/dbraw/zinc/96/07/36/993960736.db2.gz PLEMTBSZDDLTIU-UHFFFAOYSA-N 1 2 424.551 3.621 20 30 HHEDLO Cn1c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nnc1-c1ccc(Cl)cc1 ZINC000473214200 994073443 /nfs/dbraw/zinc/07/34/43/994073443.db2.gz JDRGAIUHQDQMSJ-UHFFFAOYSA-N 1 2 406.921 3.719 20 30 HHEDLO Cn1c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nnc1-c1ccc(Cl)cc1 ZINC000473214200 994073454 /nfs/dbraw/zinc/07/34/54/994073454.db2.gz JDRGAIUHQDQMSJ-UHFFFAOYSA-N 1 2 406.921 3.719 20 30 HHEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000473560505 994425750 /nfs/dbraw/zinc/42/57/50/994425750.db2.gz JVPWLKFFYRKWKM-JOCHJYFZSA-N 1 2 419.916 3.607 20 30 HHEDLO N#Cc1cc(NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)ccc1F ZINC000481621217 994482425 /nfs/dbraw/zinc/48/24/25/994482425.db2.gz FLSDRWMBJCANHD-UHFFFAOYSA-N 1 2 402.857 3.579 20 30 HHEDLO Cc1cccc([C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(F)(F)F)c1 ZINC000482032352 994948668 /nfs/dbraw/zinc/94/86/68/994948668.db2.gz LBJOSWIFPWWTJH-FQEVSTJZSA-N 1 2 416.447 3.998 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000475275289 996039964 /nfs/dbraw/zinc/03/99/64/996039964.db2.gz LRFFQEPPBAABND-SFHVURJKSA-N 1 2 408.546 3.692 20 30 HHEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000483229477 996049449 /nfs/dbraw/zinc/04/94/49/996049449.db2.gz YSADHCGECMUAKL-IBGZPJMESA-N 1 2 413.562 3.613 20 30 HHEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000483229478 996049554 /nfs/dbraw/zinc/04/95/54/996049554.db2.gz YSADHCGECMUAKL-LJQANCHMSA-N 1 2 413.562 3.613 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000483261045 996067308 /nfs/dbraw/zinc/06/73/08/996067308.db2.gz KUOVOEVXPARNRI-GOSISDBHSA-N 1 2 404.470 3.559 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000483273969 996074408 /nfs/dbraw/zinc/07/44/08/996074408.db2.gz VSLWMJCNOPGNAR-QGZVFWFLSA-N 1 2 404.470 3.559 20 30 HHEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(-c2ccncc2)n1 ZINC000475345833 996081361 /nfs/dbraw/zinc/08/13/61/996081361.db2.gz DKHNKCZLTVIXIM-OAQYLSRUSA-N 1 2 406.921 3.518 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000475651414 996277741 /nfs/dbraw/zinc/27/77/41/996277741.db2.gz PMQTVWIKTAIPLP-UHFFFAOYSA-N 1 2 410.424 3.565 20 30 HHEDLO N#Cc1ccc(Cc2cnc(NC(=O)CCc3[nH]cc[nH+]3)s2)c(C(F)(F)F)c1 ZINC000483645807 996305322 /nfs/dbraw/zinc/30/53/22/996305322.db2.gz PLTOWZYRLIVSLG-UHFFFAOYSA-N 1 2 405.405 3.919 20 30 HHEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000484681250 997019869 /nfs/dbraw/zinc/01/98/69/997019869.db2.gz QLBJRIORGIVJIC-UHFFFAOYSA-N 1 2 420.145 3.593 20 30 HHEDLO C=CC[N@H+](CCOC)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000484681250 997019880 /nfs/dbraw/zinc/01/98/80/997019880.db2.gz QLBJRIORGIVJIC-UHFFFAOYSA-N 1 2 420.145 3.593 20 30 HHEDLO CC(C)n1ncc2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000476573707 997072209 /nfs/dbraw/zinc/07/22/09/997072209.db2.gz XHBOLDBKVOIDQW-UHFFFAOYSA-N 1 2 402.502 3.839 20 30 HHEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000484890619 997258144 /nfs/dbraw/zinc/25/81/44/997258144.db2.gz FVZRUBIBQCKKQB-UHFFFAOYSA-N 1 2 415.946 3.527 20 30 HHEDLO C=CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000476877505 997456423 /nfs/dbraw/zinc/45/64/23/997456423.db2.gz BENYGAJVJOPENH-DENIHFKCSA-N 1 2 423.557 3.827 20 30 HHEDLO C=CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000476877505 997456435 /nfs/dbraw/zinc/45/64/35/997456435.db2.gz BENYGAJVJOPENH-DENIHFKCSA-N 1 2 423.557 3.827 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000477013142 997646621 /nfs/dbraw/zinc/64/66/21/997646621.db2.gz OBSCXDBDXKBHAG-IBGZPJMESA-N 1 2 403.404 3.979 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000477013142 997646637 /nfs/dbraw/zinc/64/66/37/997646637.db2.gz OBSCXDBDXKBHAG-IBGZPJMESA-N 1 2 403.404 3.979 20 30 HHEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000477132151 997787884 /nfs/dbraw/zinc/78/78/84/997787884.db2.gz CFTUMBGLXIEIIZ-UHFFFAOYSA-N 1 2 401.869 3.578 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718139 998187218 /nfs/dbraw/zinc/18/72/18/998187218.db2.gz CWSZFWMKZHGGEP-FCEUIQTBSA-N 1 2 413.468 3.801 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718139 998187220 /nfs/dbraw/zinc/18/72/20/998187220.db2.gz CWSZFWMKZHGGEP-FCEUIQTBSA-N 1 2 413.468 3.801 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCCc3ccc(F)c(F)c3)CC2)cc1 ZINC000477740353 998478564 /nfs/dbraw/zinc/47/85/64/998478564.db2.gz JOSXZRAKIQZHBW-UHFFFAOYSA-N 1 2 412.484 3.687 20 30 HHEDLO C=CCC1(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)CCC1 ZINC000477899957 998642098 /nfs/dbraw/zinc/64/20/98/998642098.db2.gz VDVCUNUQARIZHM-UHFFFAOYSA-N 1 2 400.548 3.621 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000478414911 998945472 /nfs/dbraw/zinc/94/54/72/998945472.db2.gz FZLNHVBQALPNDJ-UHFFFAOYSA-N 1 2 409.486 3.742 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000478414911 998945480 /nfs/dbraw/zinc/94/54/80/998945480.db2.gz FZLNHVBQALPNDJ-UHFFFAOYSA-N 1 2 409.486 3.742 20 30 HHEDLO Cc1cc(C[NH+]2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)ccc1C#N ZINC000486800773 998946235 /nfs/dbraw/zinc/94/62/35/998946235.db2.gz TZAPKZDBSCPPNK-UHFFFAOYSA-N 1 2 416.447 3.642 20 30 HHEDLO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)ccc2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000487357356 999146165 /nfs/dbraw/zinc/14/61/65/999146165.db2.gz AZOCILIYNNGLFY-HSZRJFAPSA-N 1 2 424.497 3.989 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 ZINC000488353708 999453779 /nfs/dbraw/zinc/45/37/79/999453779.db2.gz UVJYVPOUXJLOIO-QFIPXVFZSA-N 1 2 422.529 3.564 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 ZINC000488353708 999453780 /nfs/dbraw/zinc/45/37/80/999453780.db2.gz UVJYVPOUXJLOIO-QFIPXVFZSA-N 1 2 422.529 3.564 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCO1 ZINC000488360627 999456402 /nfs/dbraw/zinc/45/64/02/999456402.db2.gz WWCLNWOHRRRRPB-LJQANCHMSA-N 1 2 424.501 3.591 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCO1 ZINC000488360627 999456406 /nfs/dbraw/zinc/45/64/06/999456406.db2.gz WWCLNWOHRRRRPB-LJQANCHMSA-N 1 2 424.501 3.591 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000480249944 999756153 /nfs/dbraw/zinc/75/61/53/999756153.db2.gz JAQAEAINIMYJFV-UHFFFAOYSA-N 1 2 408.502 3.891 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000480249944 999756157 /nfs/dbraw/zinc/75/61/57/999756157.db2.gz JAQAEAINIMYJFV-UHFFFAOYSA-N 1 2 408.502 3.891 20 30 HHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000489505827 999780316 /nfs/dbraw/zinc/78/03/16/999780316.db2.gz FSZUDXUKXPFRAN-GOSISDBHSA-N 1 2 423.513 3.935 20 30 HHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000489505827 999780317 /nfs/dbraw/zinc/78/03/17/999780317.db2.gz FSZUDXUKXPFRAN-GOSISDBHSA-N 1 2 423.513 3.935 20 30 HHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000490071119 999888818 /nfs/dbraw/zinc/88/88/18/999888818.db2.gz HVWHHXVCUMNPCV-FQEVSTJZSA-N 1 2 423.904 3.655 20 30 HHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000490071119 999888821 /nfs/dbraw/zinc/88/88/21/999888821.db2.gz HVWHHXVCUMNPCV-FQEVSTJZSA-N 1 2 423.904 3.655 20 30 HHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491270099 1000060451 /nfs/dbraw/zinc/06/04/51/1000060451.db2.gz FZZONGQPYHOXFJ-UHFFFAOYSA-N 1 2 408.252 3.620 20 30 HHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000491270099 1000060452 /nfs/dbraw/zinc/06/04/52/1000060452.db2.gz FZZONGQPYHOXFJ-UHFFFAOYSA-N 1 2 408.252 3.620 20 30 HHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000491330958 1000065784 /nfs/dbraw/zinc/06/57/84/1000065784.db2.gz WFFFTHHYYYBCMY-UHFFFAOYSA-N 1 2 409.408 3.926 20 30 HHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000491330958 1000065787 /nfs/dbraw/zinc/06/57/87/1000065787.db2.gz WFFFTHHYYYBCMY-UHFFFAOYSA-N 1 2 409.408 3.926 20 30 HHEDLO CCOc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000505232564 1000635059 /nfs/dbraw/zinc/63/50/59/1000635059.db2.gz UWPUSUUMRWZLOI-GOSISDBHSA-N 1 2 422.529 3.554 20 30 HHEDLO O=C1[C@H]([NH+]2CCN(CC#Cc3ccc(Cl)cc3)CC2)CCCN1Cc1ccccc1 ZINC000505458380 1000787326 /nfs/dbraw/zinc/78/73/26/1000787326.db2.gz UFCKBOIGRJPCKP-XMMPIXPASA-N 1 2 421.972 3.500 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000505643535 1000951125 /nfs/dbraw/zinc/95/11/25/1000951125.db2.gz DWQGXXLBPUNBAS-SFTDATJTSA-N 1 2 411.933 3.959 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000505643535 1000951133 /nfs/dbraw/zinc/95/11/33/1000951133.db2.gz DWQGXXLBPUNBAS-SFTDATJTSA-N 1 2 411.933 3.959 20 30 HHEDLO N#C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1Cl ZINC000505700812 1000982332 /nfs/dbraw/zinc/98/23/32/1000982332.db2.gz RTNVNYMGQPNGBI-IBGZPJMESA-N 1 2 407.861 3.560 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@H]([C@@H](C)O)C3)sc2C1 ZINC000506018597 1001166677 /nfs/dbraw/zinc/16/66/77/1001166677.db2.gz XXESYRMOLZJMFT-OWCLPIDISA-N 1 2 403.592 3.802 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@H]([C@@H](C)O)C3)sc2C1 ZINC000506018597 1001166680 /nfs/dbraw/zinc/16/66/80/1001166680.db2.gz XXESYRMOLZJMFT-OWCLPIDISA-N 1 2 403.592 3.802 20 30 HHEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000506297255 1001337268 /nfs/dbraw/zinc/33/72/68/1001337268.db2.gz FGOUSBFAZLWHAL-QGZVFWFLSA-N 1 2 421.806 3.994 20 30 HHEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000506297255 1001337275 /nfs/dbraw/zinc/33/72/75/1001337275.db2.gz FGOUSBFAZLWHAL-QGZVFWFLSA-N 1 2 421.806 3.994 20 30 HHEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000506647465 1001482111 /nfs/dbraw/zinc/48/21/11/1001482111.db2.gz WJSWPEWICGPGQU-UHFFFAOYSA-N 1 2 420.513 3.628 20 30 HHEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000507086540 1001798842 /nfs/dbraw/zinc/79/88/42/1001798842.db2.gz HNZPEQGGWIMQLI-IFMALSPDSA-N 1 2 421.451 3.506 20 30 HHEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000507086540 1001798846 /nfs/dbraw/zinc/79/88/46/1001798846.db2.gz HNZPEQGGWIMQLI-IFMALSPDSA-N 1 2 421.451 3.506 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000507259614 1001944104 /nfs/dbraw/zinc/94/41/04/1001944104.db2.gz GOKRGARXOOWNMF-QHCPKHFHSA-N 1 2 407.514 3.578 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000507259614 1001944095 /nfs/dbraw/zinc/94/40/95/1001944095.db2.gz GOKRGARXOOWNMF-QHCPKHFHSA-N 1 2 407.514 3.578 20 30 HHEDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000507848065 1002387063 /nfs/dbraw/zinc/38/70/63/1002387063.db2.gz RFXGZBVPJCEZLX-MRXNPFEDSA-N 1 2 408.458 3.645 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000507858893 1002395355 /nfs/dbraw/zinc/39/53/55/1002395355.db2.gz IPBINXKVUVUUAV-HXUWFJFHSA-N 1 2 420.351 3.621 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000507858893 1002395347 /nfs/dbraw/zinc/39/53/47/1002395347.db2.gz IPBINXKVUVUUAV-HXUWFJFHSA-N 1 2 420.351 3.621 20 30 HHEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000499020414 1002396407 /nfs/dbraw/zinc/39/64/07/1002396407.db2.gz JSVAJCVVCJFUAH-OXJNMPFZSA-N 1 2 413.543 3.551 20 30 HHEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000499020414 1002396414 /nfs/dbraw/zinc/39/64/14/1002396414.db2.gz JSVAJCVVCJFUAH-OXJNMPFZSA-N 1 2 413.543 3.551 20 30 HHEDLO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000499078521 1002464382 /nfs/dbraw/zinc/46/43/82/1002464382.db2.gz UHRLPMWFGBDVMV-ONGXBYRLSA-N 1 2 412.921 3.644 20 30 HHEDLO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000499078521 1002464390 /nfs/dbraw/zinc/46/43/90/1002464390.db2.gz UHRLPMWFGBDVMV-ONGXBYRLSA-N 1 2 412.921 3.644 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)C1 ZINC000499171006 1002557846 /nfs/dbraw/zinc/55/78/46/1002557846.db2.gz QWOQJWJXMCQECV-NHCUHLMSSA-N 1 2 424.932 3.572 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)C1 ZINC000499171006 1002557860 /nfs/dbraw/zinc/55/78/60/1002557860.db2.gz QWOQJWJXMCQECV-NHCUHLMSSA-N 1 2 424.932 3.572 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499253330 1002652485 /nfs/dbraw/zinc/65/24/85/1002652485.db2.gz ZYUNLOPNHBXXSW-INIZCTEOSA-N 1 2 407.442 3.623 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499253330 1002652491 /nfs/dbraw/zinc/65/24/91/1002652491.db2.gz ZYUNLOPNHBXXSW-INIZCTEOSA-N 1 2 407.442 3.623 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000508442408 1002929226 /nfs/dbraw/zinc/92/92/26/1002929226.db2.gz BYKVTDLVEBBXAT-NRFANRHFSA-N 1 2 423.557 3.684 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000508610310 1003064739 /nfs/dbraw/zinc/06/47/39/1003064739.db2.gz VXPAIRDNNDRGLM-UHFFFAOYSA-N 1 2 406.471 3.580 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000508626765 1003077506 /nfs/dbraw/zinc/07/75/06/1003077506.db2.gz YXYIBNFODHQAQE-UHFFFAOYSA-N 1 2 418.432 3.658 20 30 HHEDLO C=CCn1c(CC2CCCCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000508824032 1003247244 /nfs/dbraw/zinc/24/72/44/1003247244.db2.gz AYJJVRZAVVYBTG-UHFFFAOYSA-N 1 2 400.596 3.674 20 30 HHEDLO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508832814 1003254136 /nfs/dbraw/zinc/25/41/36/1003254136.db2.gz MOWXGOBHDUIROG-UHFFFAOYSA-N 1 2 418.932 3.978 20 30 HHEDLO C=CCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000508965957 1003433602 /nfs/dbraw/zinc/43/36/02/1003433602.db2.gz YBTMLPCEWZEURG-MRXNPFEDSA-N 1 2 412.488 3.631 20 30 HHEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000500599046 1003813165 /nfs/dbraw/zinc/81/31/65/1003813165.db2.gz ILZQXJYMTUDIKO-IWQHBPENSA-N 1 2 419.573 3.558 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512262124 1004163362 /nfs/dbraw/zinc/16/33/62/1004163362.db2.gz RSSPAPMENUGXQE-RDTXWAMCSA-N 1 2 415.481 3.799 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512262124 1004163372 /nfs/dbraw/zinc/16/33/72/1004163372.db2.gz RSSPAPMENUGXQE-RDTXWAMCSA-N 1 2 415.481 3.799 20 30 HHEDLO N#CCCn1cc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000512286269 1004189223 /nfs/dbraw/zinc/18/92/23/1004189223.db2.gz NSPSHGFCFNPPLW-UHFFFAOYSA-N 1 2 405.546 3.688 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000512507334 1004349539 /nfs/dbraw/zinc/34/95/39/1004349539.db2.gz YDWMDOLUZGBTML-KRWDZBQOSA-N 1 2 400.523 3.887 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000512507334 1004349546 /nfs/dbraw/zinc/34/95/46/1004349546.db2.gz YDWMDOLUZGBTML-KRWDZBQOSA-N 1 2 400.523 3.887 20 30 HHEDLO C=CCN(C(=O)C[N@H+]1CC[C@H](O)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000510370520 1004516433 /nfs/dbraw/zinc/51/64/33/1004516433.db2.gz AKKFJMHNYBHWJI-ZDUSSCGKSA-N 1 2 412.342 3.703 20 30 HHEDLO C=CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000510370520 1004516435 /nfs/dbraw/zinc/51/64/35/1004516435.db2.gz AKKFJMHNYBHWJI-ZDUSSCGKSA-N 1 2 412.342 3.703 20 30 HHEDLO CCCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000501576679 1004529790 /nfs/dbraw/zinc/52/97/90/1004529790.db2.gz VUOYHZVCWSPWAA-HNNXBMFYSA-N 1 2 411.575 3.922 20 30 HHEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)n1 ZINC000510411239 1004547572 /nfs/dbraw/zinc/54/75/72/1004547572.db2.gz BVAAMQKJTIYTSR-HNNXBMFYSA-N 1 2 413.547 3.765 20 30 HHEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000510433976 1004563803 /nfs/dbraw/zinc/56/38/03/1004563803.db2.gz AAVRCQZFTDFLQF-SFHVURJKSA-N 1 2 415.902 3.614 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512816984 1004576843 /nfs/dbraw/zinc/57/68/43/1004576843.db2.gz JSTKKGLTHNJPJQ-INIZCTEOSA-N 1 2 408.493 3.981 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512816984 1004576853 /nfs/dbraw/zinc/57/68/53/1004576853.db2.gz JSTKKGLTHNJPJQ-INIZCTEOSA-N 1 2 408.493 3.981 20 30 HHEDLO C=CCNC(=O)Nc1ccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000513117599 1004816152 /nfs/dbraw/zinc/81/61/52/1004816152.db2.gz DVZRQWRZWSUGPS-UHFFFAOYSA-N 1 2 409.515 3.822 20 30 HHEDLO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000511107668 1005022405 /nfs/dbraw/zinc/02/24/05/1005022405.db2.gz LLDJIWIGGVBNAX-IBGZPJMESA-N 1 2 401.528 3.546 20 30 HHEDLO C=CC[N@H+](Cc1cc(OC)c(OC)cc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000511107668 1005022411 /nfs/dbraw/zinc/02/24/11/1005022411.db2.gz LLDJIWIGGVBNAX-IBGZPJMESA-N 1 2 401.528 3.546 20 30 HHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2)cc1 ZINC000502548414 1005114018 /nfs/dbraw/zinc/11/40/18/1005114018.db2.gz KUDKSEWFZPXMTF-UHFFFAOYSA-N 1 2 418.888 3.520 20 30 HHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2)cc1 ZINC000502548414 1005114020 /nfs/dbraw/zinc/11/40/20/1005114020.db2.gz KUDKSEWFZPXMTF-UHFFFAOYSA-N 1 2 418.888 3.520 20 30 HHEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3csc(COc4ccccc4)n3)C2=O)cc1 ZINC000503947062 1005517158 /nfs/dbraw/zinc/51/71/58/1005517158.db2.gz QJCBJVPIBFHCEM-OAQYLSRUSA-N 1 2 418.522 3.879 20 30 HHEDLO COCCN(C(C)=O)c1nc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cs1 ZINC000504127233 1005557761 /nfs/dbraw/zinc/55/77/61/1005557761.db2.gz ZNQFMLCIAAKANM-UHFFFAOYSA-N 1 2 400.548 3.672 20 30 HHEDLO COCCN(C(C)=O)c1nc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cs1 ZINC000504127233 1005557764 /nfs/dbraw/zinc/55/77/64/1005557764.db2.gz ZNQFMLCIAAKANM-UHFFFAOYSA-N 1 2 400.548 3.672 20 30 HHEDLO N#Cc1ccc(Cc2cnc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)s2)cc1 ZINC000514511828 1006014375 /nfs/dbraw/zinc/01/43/75/1006014375.db2.gz SHQRIGPVODKVSU-UHFFFAOYSA-N 1 2 418.526 3.791 20 30 HHEDLO N#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000531353120 1006143517 /nfs/dbraw/zinc/14/35/17/1006143517.db2.gz PFNZJKFNRZTTAR-SFHVURJKSA-N 1 2 400.360 3.825 20 30 HHEDLO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000514829816 1006159923 /nfs/dbraw/zinc/15/99/23/1006159923.db2.gz NBCMZCNKBMEJIJ-RDTXWAMCSA-N 1 2 423.460 3.829 20 30 HHEDLO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000514829816 1006159926 /nfs/dbraw/zinc/15/99/26/1006159926.db2.gz NBCMZCNKBMEJIJ-RDTXWAMCSA-N 1 2 423.460 3.829 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1OC ZINC000534335250 1006305792 /nfs/dbraw/zinc/30/57/92/1006305792.db2.gz RSFFVOKLKKYYGD-UHFFFAOYSA-N 1 2 420.513 3.628 20 30 HHEDLO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000516267349 1006982728 /nfs/dbraw/zinc/98/27/28/1006982728.db2.gz AYIGIWHUGIEARN-OAHLLOKOSA-N 1 2 410.461 3.914 20 30 HHEDLO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000516267349 1006982738 /nfs/dbraw/zinc/98/27/38/1006982738.db2.gz AYIGIWHUGIEARN-OAHLLOKOSA-N 1 2 410.461 3.914 20 30 HHEDLO O=C(c1ccccc1)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000532590280 1007027453 /nfs/dbraw/zinc/02/74/53/1007027453.db2.gz ARWDUMHTUZVPEN-UHFFFAOYSA-N 1 2 402.416 3.785 20 30 HHEDLO O=C(c1ccccc1)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000532590280 1007027464 /nfs/dbraw/zinc/02/74/64/1007027464.db2.gz ARWDUMHTUZVPEN-UHFFFAOYSA-N 1 2 402.416 3.785 20 30 HHEDLO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cc(C#N)ccc4F)CC3)cc2NC1=O ZINC000532690764 1007105518 /nfs/dbraw/zinc/10/55/18/1007105518.db2.gz RSCWFTKILXSAHZ-CQSZACIVSA-N 1 2 407.445 3.512 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000532744513 1007155983 /nfs/dbraw/zinc/15/59/83/1007155983.db2.gz SYPOVXZLPJJYPP-KRWDZBQOSA-N 1 2 407.543 3.826 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000532744513 1007155989 /nfs/dbraw/zinc/15/59/89/1007155989.db2.gz SYPOVXZLPJJYPP-KRWDZBQOSA-N 1 2 407.543 3.826 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)o2)cc1 ZINC000538944168 1007228414 /nfs/dbraw/zinc/22/84/14/1007228414.db2.gz OMSGQCXBFBDRSO-UHFFFAOYSA-N 1 2 400.438 3.669 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)o2)cc1 ZINC000538944168 1007228422 /nfs/dbraw/zinc/22/84/22/1007228422.db2.gz OMSGQCXBFBDRSO-UHFFFAOYSA-N 1 2 400.438 3.669 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C3)cs1 ZINC000539001595 1007299679 /nfs/dbraw/zinc/29/96/79/1007299679.db2.gz UNLIZOMZTGCMSF-XCLFUZPHSA-N 1 2 402.589 3.981 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C3)cs1 ZINC000539001595 1007299690 /nfs/dbraw/zinc/29/96/90/1007299690.db2.gz UNLIZOMZTGCMSF-XCLFUZPHSA-N 1 2 402.589 3.981 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532989465 1007360931 /nfs/dbraw/zinc/36/09/31/1007360931.db2.gz YVVHBRIWTRLSTL-RTBURBONSA-N 1 2 423.314 3.729 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532989465 1007360945 /nfs/dbraw/zinc/36/09/45/1007360945.db2.gz YVVHBRIWTRLSTL-RTBURBONSA-N 1 2 423.314 3.729 20 30 HHEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533169861 1007509438 /nfs/dbraw/zinc/50/94/38/1007509438.db2.gz IALMXQOKDMZAQN-UXHICEINSA-N 1 2 400.885 3.938 20 30 HHEDLO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533169861 1007509445 /nfs/dbraw/zinc/50/94/45/1007509445.db2.gz IALMXQOKDMZAQN-UXHICEINSA-N 1 2 400.885 3.938 20 30 HHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCC[C@@H](CO)C3)sc2C1 ZINC000533234678 1007555719 /nfs/dbraw/zinc/55/57/19/1007555719.db2.gz PDMNLAFOVBSIPR-CVEARBPZSA-N 1 2 403.592 3.804 20 30 HHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCC[C@@H](CO)C3)sc2C1 ZINC000533234678 1007555725 /nfs/dbraw/zinc/55/57/25/1007555725.db2.gz PDMNLAFOVBSIPR-CVEARBPZSA-N 1 2 403.592 3.804 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000533238581 1007558672 /nfs/dbraw/zinc/55/86/72/1007558672.db2.gz JFIWABONPCCNFH-INIZCTEOSA-N 1 2 400.544 3.727 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000533238581 1007558682 /nfs/dbraw/zinc/55/86/82/1007558682.db2.gz JFIWABONPCCNFH-INIZCTEOSA-N 1 2 400.544 3.727 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000533285298 1007597752 /nfs/dbraw/zinc/59/77/52/1007597752.db2.gz AIEJTOAYZHGKFT-UHFFFAOYSA-N 1 2 418.570 3.736 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000533285298 1007597762 /nfs/dbraw/zinc/59/77/62/1007597762.db2.gz AIEJTOAYZHGKFT-UHFFFAOYSA-N 1 2 418.570 3.736 20 30 HHEDLO N#Cc1c(NC(=O)CN2CCC(Nc3cccc[nH+]3)CC2)sc2c1CCCCC2 ZINC000535576192 1007600923 /nfs/dbraw/zinc/60/09/23/1007600923.db2.gz ZWQLZEOBYXBOEF-UHFFFAOYSA-N 1 2 409.559 3.799 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000533312294 1007627330 /nfs/dbraw/zinc/62/73/30/1007627330.db2.gz PRYJGXFQTUWYDI-PKOBYXMFSA-N 1 2 411.468 3.982 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000533312294 1007627331 /nfs/dbraw/zinc/62/73/31/1007627331.db2.gz PRYJGXFQTUWYDI-PKOBYXMFSA-N 1 2 411.468 3.982 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH+]2CCC(OC(C)C)CC2)cc1 ZINC000533338622 1007645709 /nfs/dbraw/zinc/64/57/09/1007645709.db2.gz WNHMMRUNEIYYGY-UHFFFAOYSA-N 1 2 424.545 3.802 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCOc4cc(Cl)ccc43)CC2)cc1 ZINC000539406336 1007713420 /nfs/dbraw/zinc/71/34/20/1007713420.db2.gz NDBBSIRXTSYBPE-NRFANRHFSA-N 1 2 424.932 3.953 20 30 HHEDLO C[C@](C#N)(CCc1ccccc1)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000533504629 1007816908 /nfs/dbraw/zinc/81/69/08/1007816908.db2.gz PIQJNFXGBXQLKH-XMMPIXPASA-N 1 2 415.497 3.557 20 30 HHEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000535811233 1007821919 /nfs/dbraw/zinc/82/19/19/1007821919.db2.gz VAIHHWBDLACMCP-INIZCTEOSA-N 1 2 415.478 3.951 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)n2)c(Cl)c1 ZINC000518019111 1008107426 /nfs/dbraw/zinc/10/74/26/1008107426.db2.gz KGPIZGRSVARIBT-UHFFFAOYSA-N 1 2 416.872 3.823 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000533817828 1008132259 /nfs/dbraw/zinc/13/22/59/1008132259.db2.gz KHHRWHQEKILNTE-QGZVFWFLSA-N 1 2 414.600 3.756 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000533935051 1008216942 /nfs/dbraw/zinc/21/69/42/1008216942.db2.gz UGWNIZMNFYEADZ-LJQANCHMSA-N 1 2 401.413 3.562 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000533935051 1008216947 /nfs/dbraw/zinc/21/69/47/1008216947.db2.gz UGWNIZMNFYEADZ-LJQANCHMSA-N 1 2 401.413 3.562 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000518532641 1008341255 /nfs/dbraw/zinc/34/12/55/1008341255.db2.gz FRZLAXLGKKIXTI-UHFFFAOYSA-N 1 2 416.378 3.881 20 30 HHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1C#N ZINC000518848731 1008444388 /nfs/dbraw/zinc/44/43/88/1008444388.db2.gz WCQDNDRBHLXSEQ-UHFFFAOYSA-N 1 2 409.471 3.814 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935484 1008479015 /nfs/dbraw/zinc/47/90/15/1008479015.db2.gz IHXLABKYQJVBAT-KXBFYZLASA-N 1 2 415.896 3.899 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935484 1008479017 /nfs/dbraw/zinc/47/90/17/1008479017.db2.gz IHXLABKYQJVBAT-KXBFYZLASA-N 1 2 415.896 3.899 20 30 HHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935482 1008479154 /nfs/dbraw/zinc/47/91/54/1008479154.db2.gz IHXLABKYQJVBAT-DNVCBOLYSA-N 1 2 415.896 3.899 20 30 HHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935482 1008479157 /nfs/dbraw/zinc/47/91/57/1008479157.db2.gz IHXLABKYQJVBAT-DNVCBOLYSA-N 1 2 415.896 3.899 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000519181054 1008583416 /nfs/dbraw/zinc/58/34/16/1008583416.db2.gz USLOOQRXCLJLJR-ZWKOTPCHSA-N 1 2 408.502 3.890 20 30 HHEDLO COc1cccc(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)c1OCc1ccccc1F ZINC000549171889 1008745783 /nfs/dbraw/zinc/74/57/83/1008745783.db2.gz KMQASOAFESNAKW-QGZVFWFLSA-N 1 2 413.493 3.606 20 30 HHEDLO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)c1OCc1ccccc1F ZINC000549171889 1008745793 /nfs/dbraw/zinc/74/57/93/1008745793.db2.gz KMQASOAFESNAKW-QGZVFWFLSA-N 1 2 413.493 3.606 20 30 HHEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000543488905 1009078305 /nfs/dbraw/zinc/07/83/05/1009078305.db2.gz ZZGSASVUQXEYPD-KRWDZBQOSA-N 1 2 401.532 3.960 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)CCc3ccc(C#N)cc3)[nH+]c12 ZINC000546061157 1009085048 /nfs/dbraw/zinc/08/50/48/1009085048.db2.gz ZFUMYIMTOFYLJC-UHFFFAOYSA-N 1 2 411.303 3.568 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)n2)c(Cl)c1 ZINC000543887810 1009464994 /nfs/dbraw/zinc/46/49/94/1009464994.db2.gz IQPAGBXMUFUNGW-UHFFFAOYSA-N 1 2 417.860 3.905 20 30 HHEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1Cl ZINC000548630972 1010690558 /nfs/dbraw/zinc/69/05/58/1010690558.db2.gz LPIFDPKUPHCWLE-UHFFFAOYSA-N 1 2 404.297 3.702 20 30 HHEDLO C=CCN1CC[C@H](Sc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)C1=O ZINC000540768419 1011424417 /nfs/dbraw/zinc/42/44/17/1011424417.db2.gz IHOVZYPBSLDNRE-MJGOQNOKSA-N 1 2 411.575 3.693 20 30 HHEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000522984106 1011435456 /nfs/dbraw/zinc/43/54/56/1011435456.db2.gz BBNUKTAWENWNNV-CQSZACIVSA-N 1 2 418.360 3.981 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000540864801 1011539254 /nfs/dbraw/zinc/53/92/54/1011539254.db2.gz QHWWRBHRDVGLMX-QAPCUYQASA-N 1 2 418.501 3.760 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000540864801 1011539268 /nfs/dbraw/zinc/53/92/68/1011539268.db2.gz QHWWRBHRDVGLMX-QAPCUYQASA-N 1 2 418.501 3.760 20 30 HHEDLO C[C@@H](c1cccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1)[NH+]1CCOCC1 ZINC000552950662 1012936398 /nfs/dbraw/zinc/93/63/98/1012936398.db2.gz ALFUWOFAMKJTHY-PXNSSMCTSA-N 1 2 422.504 3.556 20 30 HHEDLO C=CC[C@H](CC)NC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000537508999 1013021310 /nfs/dbraw/zinc/02/13/10/1013021310.db2.gz GRXAHLGZALOJTG-FQEVSTJZSA-N 1 2 411.525 3.701 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542108802 1013040782 /nfs/dbraw/zinc/04/07/82/1013040782.db2.gz WXDYWSUOPSYROC-UHFFFAOYSA-N 1 2 411.575 3.890 20 30 HHEDLO C=CCc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000729676356 1071791545 /nfs/dbraw/zinc/79/15/45/1071791545.db2.gz IWZCGLJQALNORM-GOSISDBHSA-N 1 2 419.319 3.511 20 30 HHEDLO N#CCOc1cccc(CC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000760351328 1072271902 /nfs/dbraw/zinc/27/19/02/1072271902.db2.gz PLRBEAURJQTIKE-HXUWFJFHSA-N 1 2 415.896 3.877 20 30 HHEDLO C[C@@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000571478617 1072632862 /nfs/dbraw/zinc/63/28/62/1072632862.db2.gz QRVCAGWCCODZKB-GOSISDBHSA-N 1 2 403.486 3.663 20 30 HHEDLO C[C@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000571478620 1072632901 /nfs/dbraw/zinc/63/29/01/1072632901.db2.gz QRVCAGWCCODZKB-SFHVURJKSA-N 1 2 403.486 3.663 20 30 HHEDLO CCN1CC[NH+]([C@@H](C)CNc2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479378388 1072786998 /nfs/dbraw/zinc/78/69/98/1072786998.db2.gz LHOUCIWLMJRNAO-HNNXBMFYSA-N 1 2 416.367 3.615 20 30 HHEDLO C[C@@H](c1nnc(Sc2ccc(C#N)c([N+](=O)[O-])c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000555129419 1073179972 /nfs/dbraw/zinc/17/99/72/1073179972.db2.gz MUTGDUQYSJRQDA-LBPRGKRZSA-N 1 2 412.450 3.960 20 30 HHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000591317409 1074245024 /nfs/dbraw/zinc/24/50/24/1074245024.db2.gz HLMQWSXRNFNDLR-SBUREZEXSA-N 1 2 411.546 3.701 20 30 HHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000591317409 1074245026 /nfs/dbraw/zinc/24/50/26/1074245026.db2.gz HLMQWSXRNFNDLR-SBUREZEXSA-N 1 2 411.546 3.701 20 30 HHEDLO COc1cc(OC)cc(C2(F)CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000573818837 1074649019 /nfs/dbraw/zinc/64/90/19/1074649019.db2.gz FFXRQIIRIORDJQ-INIZCTEOSA-N 1 2 411.477 3.863 20 30 HHEDLO N#CCc1ccc(OC[C@@H](O)COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000573867698 1074668077 /nfs/dbraw/zinc/66/80/77/1074668077.db2.gz HJAYOOIZENJLIL-OAQYLSRUSA-N 1 2 403.482 3.771 20 30 HHEDLO N#Cc1cnc(Cl)cc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672298 719496507 /nfs/dbraw/zinc/49/65/07/719496507.db2.gz ISCGDNOJSIKXCE-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO N#Cc1cnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672298 719496520 /nfs/dbraw/zinc/49/65/20/719496520.db2.gz ISCGDNOJSIKXCE-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001164916594 721812878 /nfs/dbraw/zinc/81/28/78/721812878.db2.gz IJSITZNYGYVLGH-UHFFFAOYSA-N 1 2 416.504 3.705 20 30 HHEDLO Cc1cccc([C@@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCOCC2)c1 ZINC000301387896 970901376 /nfs/dbraw/zinc/90/13/76/970901376.db2.gz YAPUFNWQIFYCLR-JOCHJYFZSA-N 1 2 417.469 3.809 20 30 HHEDLO N#Cc1ccc(OC2CCC(Nc3[nH+]cnc4c3cnn4-c3ccccc3)CC2)nc1 ZINC000301939137 971126309 /nfs/dbraw/zinc/12/63/09/971126309.db2.gz VBQDKESGNZWRAY-UHFFFAOYSA-N 1 2 411.469 3.884 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000302758170 971305776 /nfs/dbraw/zinc/30/57/76/971305776.db2.gz NCVZTRMYVGQWQL-UHFFFAOYSA-N 1 2 415.518 3.635 20 30 HHEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000303228877 971570939 /nfs/dbraw/zinc/57/09/39/971570939.db2.gz XDXGUSVQTPYFIJ-FQEVSTJZSA-N 1 2 401.470 3.528 20 30 HHEDLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000303228877 971570946 /nfs/dbraw/zinc/57/09/46/971570946.db2.gz XDXGUSVQTPYFIJ-FQEVSTJZSA-N 1 2 401.470 3.528 20 30 HHEDLO CCCCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000303378114 971670407 /nfs/dbraw/zinc/67/04/07/971670407.db2.gz LWBQKRKYVDYQAN-QGZVFWFLSA-N 1 2 416.591 3.505 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000303800215 972037191 /nfs/dbraw/zinc/03/71/91/972037191.db2.gz JMMHWAAJNJCXNO-JOCHJYFZSA-N 1 2 408.933 3.525 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000303800215 972037197 /nfs/dbraw/zinc/03/71/97/972037197.db2.gz JMMHWAAJNJCXNO-JOCHJYFZSA-N 1 2 408.933 3.525 20 30 HHEDLO CSc1c(F)cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000542394573 1013347816 /nfs/dbraw/zinc/34/78/16/1013347816.db2.gz BAZBISGOYKVZPQ-UHFFFAOYSA-N 1 2 402.470 3.908 20 30 HHEDLO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000016591809 963069467 /nfs/dbraw/zinc/06/94/67/963069467.db2.gz BDNRBXVHBGMUKT-CQSZACIVSA-N 1 2 408.340 3.621 20 30 HHEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000016591809 963069480 /nfs/dbraw/zinc/06/94/80/963069480.db2.gz BDNRBXVHBGMUKT-CQSZACIVSA-N 1 2 408.340 3.621 20 30 HHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021848369 963548616 /nfs/dbraw/zinc/54/86/16/963548616.db2.gz KGAUSYCMILCCGO-INIZCTEOSA-N 1 2 408.468 3.559 20 30 HHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000023057714 963761840 /nfs/dbraw/zinc/76/18/40/963761840.db2.gz ROONSKCCYFRQEK-MSOLQXFVSA-N 1 2 402.970 3.750 20 30 HHEDLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@H+](C)Cc3cccc(C#N)c3)nc(=O)c2c1C ZINC000026325376 964524686 /nfs/dbraw/zinc/52/46/86/964524686.db2.gz HATSUAMMDIIMRS-CYBMUJFWSA-N 1 2 410.499 3.534 20 30 HHEDLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@@H+](C)Cc3cccc(C#N)c3)nc(=O)c2c1C ZINC000026325376 964524699 /nfs/dbraw/zinc/52/46/99/964524699.db2.gz HATSUAMMDIIMRS-CYBMUJFWSA-N 1 2 410.499 3.534 20 30 HHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c(C)c1 ZINC000026644291 964631476 /nfs/dbraw/zinc/63/14/76/964631476.db2.gz MZFHPJAGDWXYBH-HSZRJFAPSA-N 1 2 401.510 3.875 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801023 964986967 /nfs/dbraw/zinc/98/69/67/964986967.db2.gz ZWHFEWPOIVCYAA-HNNXBMFYSA-N 1 2 400.885 3.890 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801023 964986978 /nfs/dbraw/zinc/98/69/78/964986978.db2.gz ZWHFEWPOIVCYAA-HNNXBMFYSA-N 1 2 400.885 3.890 20 30 HHEDLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000028155094 965047745 /nfs/dbraw/zinc/04/77/45/965047745.db2.gz XTBQRGJHKDGNAA-AREMUKBSSA-N 1 2 416.569 3.642 20 30 HHEDLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000028155094 965047757 /nfs/dbraw/zinc/04/77/57/965047757.db2.gz XTBQRGJHKDGNAA-AREMUKBSSA-N 1 2 416.569 3.642 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000053701957 965250023 /nfs/dbraw/zinc/25/00/23/965250023.db2.gz VNKFPESJIXWHSG-UHFFFAOYSA-N 1 2 405.523 3.608 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000053701957 965250032 /nfs/dbraw/zinc/25/00/32/965250032.db2.gz VNKFPESJIXWHSG-UHFFFAOYSA-N 1 2 405.523 3.608 20 30 HHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000029686911 965457829 /nfs/dbraw/zinc/45/78/29/965457829.db2.gz CZAYVKKRGBYORJ-GOSISDBHSA-N 1 2 402.970 3.703 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)c1C#N ZINC000054323783 965477150 /nfs/dbraw/zinc/47/71/50/965477150.db2.gz BCPOTFKMENXHGY-UHFFFAOYSA-N 1 2 412.534 3.693 20 30 HHEDLO COc1ccc(C2(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)CCCC2)cc1 ZINC000058782599 965896267 /nfs/dbraw/zinc/89/62/67/965896267.db2.gz JIWUCLQQQPOUAW-UHFFFAOYSA-N 1 2 403.526 3.723 20 30 HHEDLO C[C@@H]1CN(CCOC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000538045034 1013618000 /nfs/dbraw/zinc/61/80/00/1013618000.db2.gz JYFKJOGPFASHPO-KDURUIRLSA-N 1 2 424.507 3.647 20 30 HHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000060355956 966108082 /nfs/dbraw/zinc/10/80/82/966108082.db2.gz AXDPKJGAAIPZCW-UHFFFAOYSA-N 1 2 404.445 3.749 20 30 HHEDLO COc1ccc([C@H](CNC(=O)C[NH+]2CCC(C#N)CC2)c2c[nH]c3ccccc32)cc1 ZINC000060893558 966320015 /nfs/dbraw/zinc/32/00/15/966320015.db2.gz XCWUZLBFWNTRLK-QFIPXVFZSA-N 1 2 416.525 3.660 20 30 HHEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000061285609 966420274 /nfs/dbraw/zinc/42/02/74/966420274.db2.gz WOPUZGKDPLUZHS-UHFFFAOYSA-N 1 2 404.297 3.702 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000553922258 1013703387 /nfs/dbraw/zinc/70/33/87/1013703387.db2.gz KLCIBJJZLUEQIY-GFCCVEGCSA-N 1 2 413.425 3.663 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000553922258 1013703391 /nfs/dbraw/zinc/70/33/91/1013703391.db2.gz KLCIBJJZLUEQIY-GFCCVEGCSA-N 1 2 413.425 3.663 20 30 HHEDLO Cc1[nH]c2ccc(CNC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2c1C ZINC000065019231 967351336 /nfs/dbraw/zinc/35/13/36/967351336.db2.gz QHZZYGNISDSDHJ-UHFFFAOYSA-N 1 2 401.514 3.684 20 30 HHEDLO C[C@@H](OCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000045131705 967360372 /nfs/dbraw/zinc/36/03/72/967360372.db2.gz LWVUDMLGOGSDJV-HXUWFJFHSA-N 1 2 406.530 3.553 20 30 HHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(OC(F)F)c1 ZINC000046611230 967880085 /nfs/dbraw/zinc/88/00/85/967880085.db2.gz WFVFZEAESVWZSX-INIZCTEOSA-N 1 2 414.456 3.748 20 30 HHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000047279335 968118886 /nfs/dbraw/zinc/11/88/86/968118886.db2.gz CNLQFGHISLKMDE-UHFFFAOYSA-N 1 2 406.895 3.515 20 30 HHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000047279335 968118890 /nfs/dbraw/zinc/11/88/90/968118890.db2.gz CNLQFGHISLKMDE-UHFFFAOYSA-N 1 2 406.895 3.515 20 30 HHEDLO COc1cc(C(N)=[NH+]OCc2ccc(Br)cc2)ccc1OC(F)F ZINC000071795027 968854525 /nfs/dbraw/zinc/85/45/25/968854525.db2.gz AXOMYBJHEUUFPK-UHFFFAOYSA-N 1 2 401.207 3.896 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc3c(C)cccc3C)c2)n1 ZINC000097571588 969166139 /nfs/dbraw/zinc/16/61/39/969166139.db2.gz GDDYZWHMUKPRSN-IBGZPJMESA-N 1 2 419.529 3.829 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1C ZINC000195685378 969956058 /nfs/dbraw/zinc/95/60/58/969956058.db2.gz HNMJDVFUGLPREK-UHFFFAOYSA-N 1 2 405.542 3.775 20 30 HHEDLO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000139201178 970024288 /nfs/dbraw/zinc/02/42/88/970024288.db2.gz VUANSCRWMGQGSJ-OAQYLSRUSA-N 1 2 401.470 3.528 20 30 HHEDLO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000139201178 970024295 /nfs/dbraw/zinc/02/42/95/970024295.db2.gz VUANSCRWMGQGSJ-OAQYLSRUSA-N 1 2 401.470 3.528 20 30 HHEDLO CCCCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000195538809 970499742 /nfs/dbraw/zinc/49/97/42/970499742.db2.gz FQUJUKPGVVJOTP-QGZVFWFLSA-N 1 2 400.552 3.693 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(OC)c1 ZINC000255940762 970595589 /nfs/dbraw/zinc/59/55/89/970595589.db2.gz JJZXKKYQBKCKSK-YRNVUSSQSA-N 1 2 406.526 3.660 20 30 HHEDLO C=CCc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1OC ZINC000410292396 973823919 /nfs/dbraw/zinc/82/39/19/973823919.db2.gz HZTUJMRPNPUIST-GOSISDBHSA-N 1 2 409.530 3.985 20 30 HHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000428524083 975816725 /nfs/dbraw/zinc/81/67/25/975816725.db2.gz ILGFLXHDGLLNNH-UHFFFAOYSA-N 1 2 406.452 3.938 20 30 HHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000428583322 975894529 /nfs/dbraw/zinc/89/45/29/975894529.db2.gz MHYAFDXWBHJDMY-UHFFFAOYSA-N 1 2 407.518 3.623 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)C2)nc1 ZINC000428792465 976068711 /nfs/dbraw/zinc/06/87/11/976068711.db2.gz WSUKDYHCVNDOLZ-INIZCTEOSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)C2)nc1 ZINC000428792465 976068726 /nfs/dbraw/zinc/06/87/26/976068726.db2.gz WSUKDYHCVNDOLZ-INIZCTEOSA-N 1 2 415.375 3.675 20 30 HHEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428796001 976072654 /nfs/dbraw/zinc/07/26/54/976072654.db2.gz ZQFVJPFEAUJIKR-RDTXWAMCSA-N 1 2 409.877 3.795 20 30 HHEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428796001 976072662 /nfs/dbraw/zinc/07/26/62/976072662.db2.gz ZQFVJPFEAUJIKR-RDTXWAMCSA-N 1 2 409.877 3.795 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)cc1 ZINC000429115051 976396775 /nfs/dbraw/zinc/39/67/75/976396775.db2.gz INNILRWMGXVGCS-SFHVURJKSA-N 1 2 406.960 3.852 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)cc1 ZINC000429115051 976396784 /nfs/dbraw/zinc/39/67/84/976396784.db2.gz INNILRWMGXVGCS-SFHVURJKSA-N 1 2 406.960 3.852 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430329582 977479927 /nfs/dbraw/zinc/47/99/27/977479927.db2.gz JPVBRKQKMVOTGA-UHFFFAOYSA-N 1 2 405.889 3.685 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430329582 977479932 /nfs/dbraw/zinc/47/99/32/977479932.db2.gz JPVBRKQKMVOTGA-UHFFFAOYSA-N 1 2 405.889 3.685 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1C#N ZINC000431605597 978379463 /nfs/dbraw/zinc/37/94/63/978379463.db2.gz SJKXNYPBRDXAOW-NRFANRHFSA-N 1 2 421.545 3.969 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1C#N ZINC000431605597 978379469 /nfs/dbraw/zinc/37/94/69/978379469.db2.gz SJKXNYPBRDXAOW-NRFANRHFSA-N 1 2 421.545 3.969 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000431817425 978534553 /nfs/dbraw/zinc/53/45/53/978534553.db2.gz GNYHDJHTCDXEKY-UHFFFAOYSA-N 1 2 407.518 3.788 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000431900864 978586859 /nfs/dbraw/zinc/58/68/59/978586859.db2.gz VOFBJLRZJLQDOG-UHFFFAOYSA-N 1 2 415.453 3.538 20 30 HHEDLO N#CCCn1cc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c(-c2ccncc2)n1 ZINC000432756436 978960521 /nfs/dbraw/zinc/96/05/21/978960521.db2.gz HWTWNMVWIQDOTQ-UHFFFAOYSA-N 1 2 422.290 3.532 20 30 HHEDLO N#CCCn1cc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c(-c2ccncc2)n1 ZINC000432756436 978960522 /nfs/dbraw/zinc/96/05/22/978960522.db2.gz HWTWNMVWIQDOTQ-UHFFFAOYSA-N 1 2 422.290 3.532 20 30 HHEDLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)C(=O)N(C)CCC#N ZINC000434525627 980227952 /nfs/dbraw/zinc/22/79/52/980227952.db2.gz GXDBHOUXIHFIIV-GJZGRUSLSA-N 1 2 412.456 3.505 20 30 HHEDLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)C(=O)N(C)CCC#N ZINC000434525627 980227954 /nfs/dbraw/zinc/22/79/54/980227954.db2.gz GXDBHOUXIHFIIV-GJZGRUSLSA-N 1 2 412.456 3.505 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686923 980339559 /nfs/dbraw/zinc/33/95/59/980339559.db2.gz YAGBUTGLYOADGK-OAHLLOKOSA-N 1 2 411.937 3.951 20 30 HHEDLO CC[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(F)(F)F)cs1 ZINC000434881261 980465566 /nfs/dbraw/zinc/46/55/66/980465566.db2.gz UAVNRJSJLYITJB-QWRGUYRKSA-N 1 2 400.451 3.941 20 30 HHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435025092 980579893 /nfs/dbraw/zinc/57/98/93/980579893.db2.gz HMEMCGZVCACURL-KXBFYZLASA-N 1 2 414.962 3.757 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1C ZINC000435890029 981078836 /nfs/dbraw/zinc/07/88/36/981078836.db2.gz RHLVLHWFSSKFQY-XMSQKQJNSA-N 1 2 402.560 3.546 20 30 HHEDLO Cc1cc(Br)cn2c(CN3CCC[C@]4(CCCCO4)[C@@H]3C#N)c[nH+]c12 ZINC000448269814 981664339 /nfs/dbraw/zinc/66/43/39/981664339.db2.gz BRYVTSCWQSAXIE-PKOBYXMFSA-N 1 2 403.324 3.833 20 30 HHEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000460376846 982154471 /nfs/dbraw/zinc/15/44/71/982154471.db2.gz VSBLUJRLNHSRTL-UHFFFAOYSA-N 1 2 419.577 3.561 20 30 HHEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000437675084 982289578 /nfs/dbraw/zinc/28/95/78/982289578.db2.gz GSOLOOGJKAEDOA-DEOSSOPVSA-N 1 2 403.526 3.805 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(Br)c3)CC2)cc1 ZINC000438575540 982913625 /nfs/dbraw/zinc/91/36/25/982913625.db2.gz JBBWPAAYHPIQDT-UHFFFAOYSA-N 1 2 417.282 3.810 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Br)c(F)c3)CC2)cc1 ZINC000438617808 982941223 /nfs/dbraw/zinc/94/12/23/982941223.db2.gz GBVCUPYMNJEIIZ-UHFFFAOYSA-N 1 2 417.282 3.810 20 30 HHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000438810505 983085121 /nfs/dbraw/zinc/08/51/21/983085121.db2.gz CDRVJPFYDBQTCW-HNNXBMFYSA-N 1 2 402.951 3.981 20 30 HHEDLO COc1ccc([C@H](CNc2c(C#N)cnc3c(C)cc(C)cc32)[NH+]2CCOCC2)cc1 ZINC000461448098 983113479 /nfs/dbraw/zinc/11/34/79/983113479.db2.gz JKHGZTIMXDJBIH-QHCPKHFHSA-N 1 2 416.525 3.639 20 30 HHEDLO CC(C)OC(=O)c1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000441158298 984095487 /nfs/dbraw/zinc/09/54/87/984095487.db2.gz PJFGJHIREFGBKQ-UHFFFAOYSA-N 1 2 420.469 3.694 20 30 HHEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC(F)F ZINC000441181296 984104583 /nfs/dbraw/zinc/10/45/83/984104583.db2.gz XRHZYSXKPRBUOF-UHFFFAOYSA-N 1 2 400.385 3.850 20 30 HHEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC(F)F ZINC000441181296 984104586 /nfs/dbraw/zinc/10/45/86/984104586.db2.gz XRHZYSXKPRBUOF-UHFFFAOYSA-N 1 2 400.385 3.850 20 30 HHEDLO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)no1 ZINC000441279317 984155819 /nfs/dbraw/zinc/15/58/19/984155819.db2.gz SYLLSYXLHHBPON-UHFFFAOYSA-N 1 2 401.536 3.688 20 30 HHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000441383657 984222449 /nfs/dbraw/zinc/22/24/49/984222449.db2.gz WPQLRNUQQHGCAH-LJQANCHMSA-N 1 2 410.949 3.965 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c(C)c1 ZINC000441475663 984271799 /nfs/dbraw/zinc/27/17/99/984271799.db2.gz OCIZYPQBKLWWNZ-QFIPXVFZSA-N 1 2 417.513 3.579 20 30 HHEDLO N#C[C@@H]1CCC[C@H]1NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000461941997 984943834 /nfs/dbraw/zinc/94/38/34/984943834.db2.gz ADFPWVZYKBHUMK-HNAYVOBHSA-N 1 2 403.889 3.970 20 30 HHEDLO N#Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1C(F)(F)F ZINC000462387977 985369409 /nfs/dbraw/zinc/36/94/09/985369409.db2.gz JGGHHQWMRVZOIJ-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(Br)cn1C ZINC000468064482 985723349 /nfs/dbraw/zinc/72/33/49/985723349.db2.gz HJRMICLKYHCERZ-AWEZNQCLSA-N 1 2 421.314 3.694 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468064482 985723359 /nfs/dbraw/zinc/72/33/59/985723359.db2.gz HJRMICLKYHCERZ-AWEZNQCLSA-N 1 2 421.314 3.694 20 30 HHEDLO C=CCNC(=O)C[N@H+](Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000443663169 985866343 /nfs/dbraw/zinc/86/63/43/985866343.db2.gz WWMSKDDXIOSKGA-IBGZPJMESA-N 1 2 417.509 3.553 20 30 HHEDLO C=CCNC(=O)C[N@@H+](Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000443663169 985866356 /nfs/dbraw/zinc/86/63/56/985866356.db2.gz WWMSKDDXIOSKGA-IBGZPJMESA-N 1 2 417.509 3.553 20 30 HHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000463164270 986136121 /nfs/dbraw/zinc/13/61/21/986136121.db2.gz UVUPTAPADUOOQG-KRWDZBQOSA-N 1 2 410.543 3.634 20 30 HHEDLO COc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1OCCCC#N ZINC000468547872 986254713 /nfs/dbraw/zinc/25/47/13/986254713.db2.gz LMQCEIGOWHMJAM-KRWDZBQOSA-N 1 2 400.548 3.713 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463447652 986427793 /nfs/dbraw/zinc/42/77/93/986427793.db2.gz ZUUCEIHBPBPJCE-JPYJTQIMSA-N 1 2 409.555 3.655 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463447652 986427795 /nfs/dbraw/zinc/42/77/95/986427795.db2.gz ZUUCEIHBPBPJCE-JPYJTQIMSA-N 1 2 409.555 3.655 20 30 HHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000444683110 986863744 /nfs/dbraw/zinc/86/37/44/986863744.db2.gz WYGUNPCFZMTAOX-HXUWFJFHSA-N 1 2 400.482 3.891 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444705659 986878462 /nfs/dbraw/zinc/87/84/62/986878462.db2.gz MSLDAUTUIGQHTB-HNNXBMFYSA-N 1 2 408.424 3.831 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444705659 986878474 /nfs/dbraw/zinc/87/84/74/986878474.db2.gz MSLDAUTUIGQHTB-HNNXBMFYSA-N 1 2 408.424 3.831 20 30 HHEDLO COc1ccc(C2([NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)CCOCC2)cc1F ZINC000444820773 986974905 /nfs/dbraw/zinc/97/49/05/986974905.db2.gz YEWQQPPSELWZER-UHFFFAOYSA-N 1 2 408.433 3.551 20 30 HHEDLO N#Cc1cccc(-c2cc(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)on2)c1 ZINC000469331532 987040401 /nfs/dbraw/zinc/04/04/01/987040401.db2.gz KHQIJBNDNSJRRI-UHFFFAOYSA-N 1 2 401.470 3.919 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(OC)c1 ZINC000470199444 988120866 /nfs/dbraw/zinc/12/08/66/988120866.db2.gz YTYNDPSFDQICGQ-NBCNXNJRSA-N 1 2 403.544 3.687 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(OC)c1 ZINC000470199444 988120875 /nfs/dbraw/zinc/12/08/75/988120875.db2.gz YTYNDPSFDQICGQ-NBCNXNJRSA-N 1 2 403.544 3.687 20 30 HHEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000464727323 988946193 /nfs/dbraw/zinc/94/61/93/988946193.db2.gz VLHRYPRTFITVDZ-IERDGZPVSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000464727323 988946208 /nfs/dbraw/zinc/94/62/08/988946208.db2.gz VLHRYPRTFITVDZ-IERDGZPVSA-N 1 2 403.461 3.905 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)c1C#N ZINC000464816630 989052990 /nfs/dbraw/zinc/05/29/90/989052990.db2.gz DRWBHFDMBSFZTK-UHFFFAOYSA-N 1 2 424.520 3.934 20 30 HHEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)sc1C ZINC000471010853 989080752 /nfs/dbraw/zinc/08/07/52/989080752.db2.gz HSEPVQPPLWZRRG-GOSISDBHSA-N 1 2 421.526 3.847 20 30 HHEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)sc1C ZINC000471010853 989080764 /nfs/dbraw/zinc/08/07/64/989080764.db2.gz HSEPVQPPLWZRRG-GOSISDBHSA-N 1 2 421.526 3.847 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000465560869 989927063 /nfs/dbraw/zinc/92/70/63/989927063.db2.gz AWCHTELHWOLSKI-PKTZIBPZSA-N 1 2 413.525 3.955 20 30 HHEDLO Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000466765619 992072678 /nfs/dbraw/zinc/07/26/78/992072678.db2.gz GZUFPEURKRZOIO-UHFFFAOYSA-N 1 2 416.447 3.913 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472308931 993320885 /nfs/dbraw/zinc/32/08/85/993320885.db2.gz BVYCLRQZWRGWOS-OXJNMPFZSA-N 1 2 418.419 3.941 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000472308931 993320887 /nfs/dbraw/zinc/32/08/87/993320887.db2.gz BVYCLRQZWRGWOS-OXJNMPFZSA-N 1 2 418.419 3.941 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000472356348 993356051 /nfs/dbraw/zinc/35/60/51/993356051.db2.gz QCXALEGAQRACPE-OAQYLSRUSA-N 1 2 411.550 3.517 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000472356348 993356054 /nfs/dbraw/zinc/35/60/54/993356054.db2.gz QCXALEGAQRACPE-OAQYLSRUSA-N 1 2 411.550 3.517 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472427638 993427221 /nfs/dbraw/zinc/42/72/21/993427221.db2.gz SGLLRBUZWWPVFU-DZFGPLHGSA-N 1 2 410.880 3.595 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472427638 993427227 /nfs/dbraw/zinc/42/72/27/993427227.db2.gz SGLLRBUZWWPVFU-DZFGPLHGSA-N 1 2 410.880 3.595 20 30 HHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)Cc2ccc(C#N)cc2F)cc1 ZINC000480737183 993603517 /nfs/dbraw/zinc/60/35/17/993603517.db2.gz NTWFSYXKVVOIDR-UHFFFAOYSA-N 1 2 411.458 3.638 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000481151574 993985384 /nfs/dbraw/zinc/98/53/84/993985384.db2.gz FTMCJXLWCAHTIH-GOSISDBHSA-N 1 2 420.542 3.826 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000481286870 994102485 /nfs/dbraw/zinc/10/24/85/994102485.db2.gz SCYRNGMDYKBTID-HKUYNNGSSA-N 1 2 401.461 3.960 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000481286870 994102493 /nfs/dbraw/zinc/10/24/93/994102493.db2.gz SCYRNGMDYKBTID-HKUYNNGSSA-N 1 2 401.461 3.960 20 30 HHEDLO C=C(C)[C@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)c1ccc(F)c(F)c1 ZINC000481618554 994479014 /nfs/dbraw/zinc/47/90/14/994479014.db2.gz FSWAREPBRGEEGE-INIZCTEOSA-N 1 2 419.453 3.765 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000473967711 994949553 /nfs/dbraw/zinc/94/95/53/994949553.db2.gz GRYBLKRPCITQGP-YADHBBJMSA-N 1 2 415.497 3.849 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000482067012 995000189 /nfs/dbraw/zinc/00/01/89/995000189.db2.gz IAAYTJGTGKWWBQ-UHFFFAOYSA-N 1 2 420.904 3.747 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)Cc2cnccc2C)cc1 ZINC000483061051 995948015 /nfs/dbraw/zinc/94/80/15/995948015.db2.gz YJSHOESLNFQUSJ-UHFFFAOYSA-N 1 2 417.513 3.748 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)Cc2cnccc2C)cc1 ZINC000483061051 995948021 /nfs/dbraw/zinc/94/80/21/995948021.db2.gz YJSHOESLNFQUSJ-UHFFFAOYSA-N 1 2 417.513 3.748 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000475277459 996040914 /nfs/dbraw/zinc/04/09/14/996040914.db2.gz FHCCGJZUGYQKTC-UHFFFAOYSA-N 1 2 402.498 3.979 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000475287707 996046652 /nfs/dbraw/zinc/04/66/52/996046652.db2.gz OSHAUQWGJKBCFZ-UHFFFAOYSA-N 1 2 402.498 3.979 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000483271282 996073502 /nfs/dbraw/zinc/07/35/02/996073502.db2.gz RCJJAHRJHNGXGS-IBGZPJMESA-N 1 2 414.509 3.966 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000484011672 996520804 /nfs/dbraw/zinc/52/08/04/996520804.db2.gz CQZILTYDSKVFKJ-OALUTQOASA-N 1 2 408.468 3.754 20 30 HHEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000484561035 996894494 /nfs/dbraw/zinc/89/44/94/996894494.db2.gz JAICWOQFPCPQAY-HSZRJFAPSA-N 1 2 407.514 3.507 20 30 HHEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000484561035 996894507 /nfs/dbraw/zinc/89/45/07/996894507.db2.gz JAICWOQFPCPQAY-HSZRJFAPSA-N 1 2 407.514 3.507 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000476514894 997003117 /nfs/dbraw/zinc/00/31/17/997003117.db2.gz QIDWEPPVUYAPKV-UHFFFAOYSA-N 1 2 419.529 3.743 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)C2 ZINC000476633961 997158719 /nfs/dbraw/zinc/15/87/19/997158719.db2.gz MJYZGQRFGXMRTH-CYBMUJFWSA-N 1 2 408.893 3.987 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)CC2 ZINC000476633961 997158724 /nfs/dbraw/zinc/15/87/24/997158724.db2.gz MJYZGQRFGXMRTH-CYBMUJFWSA-N 1 2 408.893 3.987 20 30 HHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000477072636 997722201 /nfs/dbraw/zinc/72/22/01/997722201.db2.gz FIKWTOKSPFLICE-YVORESIASA-N 1 2 401.557 3.671 20 30 HHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000477072636 997722212 /nfs/dbraw/zinc/72/22/12/997722212.db2.gz FIKWTOKSPFLICE-YVORESIASA-N 1 2 401.557 3.671 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1C ZINC000477077197 997729356 /nfs/dbraw/zinc/72/93/56/997729356.db2.gz QCDURNMGCHZADE-UHFFFAOYSA-N 1 2 407.558 3.810 20 30 HHEDLO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1cccs1 ZINC000477680299 998392494 /nfs/dbraw/zinc/39/24/94/998392494.db2.gz RGUNUEJJLCBPIC-INIZCTEOSA-N 1 2 412.559 3.550 20 30 HHEDLO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1cccs1 ZINC000477680299 998392500 /nfs/dbraw/zinc/39/25/00/998392500.db2.gz RGUNUEJJLCBPIC-INIZCTEOSA-N 1 2 412.559 3.550 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH+]2CCC(C(F)F)CC2)cc1 ZINC000486135638 998583457 /nfs/dbraw/zinc/58/34/57/998583457.db2.gz IUWTXTRGDVZCBO-UHFFFAOYSA-N 1 2 416.472 3.890 20 30 HHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000477986993 998700810 /nfs/dbraw/zinc/70/08/10/998700810.db2.gz FFDZDGWWURHILU-UHFFFAOYSA-N 1 2 408.483 3.715 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000478053074 998738024 /nfs/dbraw/zinc/73/80/24/998738024.db2.gz JHJVYFZXOIBQGI-UHFFFAOYSA-N 1 2 423.513 3.611 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000478053074 998738027 /nfs/dbraw/zinc/73/80/27/998738027.db2.gz JHJVYFZXOIBQGI-UHFFFAOYSA-N 1 2 423.513 3.611 20 30 HHEDLO C=CCSc1ccccc1C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000478360114 998915424 /nfs/dbraw/zinc/91/54/24/998915424.db2.gz MCJVUJYXWDLZRN-QGZVFWFLSA-N 1 2 400.548 3.783 20 30 HHEDLO C=CCSc1ccccc1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000478360114 998915426 /nfs/dbraw/zinc/91/54/26/998915426.db2.gz MCJVUJYXWDLZRN-QGZVFWFLSA-N 1 2 400.548 3.783 20 30 HHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1Cl ZINC000478369352 998921046 /nfs/dbraw/zinc/92/10/46/998921046.db2.gz LFTLPFUZZPPNKI-HNNXBMFYSA-N 1 2 400.885 3.939 20 30 HHEDLO COc1ccccc1C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000478397391 998936471 /nfs/dbraw/zinc/93/64/71/998936471.db2.gz MATNWCDFHIIYDU-HSZRJFAPSA-N 1 2 420.557 3.661 20 30 HHEDLO CC#CCCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000478486504 998987554 /nfs/dbraw/zinc/98/75/54/998987554.db2.gz GNTSHZVZDYPNIB-GOSISDBHSA-N 1 2 424.326 3.565 20 30 HHEDLO CC#CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000478486504 998987561 /nfs/dbraw/zinc/98/75/61/998987561.db2.gz GNTSHZVZDYPNIB-GOSISDBHSA-N 1 2 424.326 3.565 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3ccc(F)cc3)C(F)(F)F)CC2)cc1 ZINC000487166324 999085675 /nfs/dbraw/zinc/08/56/75/999085675.db2.gz FYMZLQGOVIKCLX-IBGZPJMESA-N 1 2 420.410 3.828 20 30 HHEDLO C=C(C)CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000488592649 999538585 /nfs/dbraw/zinc/53/85/85/999538585.db2.gz RQUSWERUXQOVSF-UHFFFAOYSA-N 1 2 400.504 3.727 20 30 HHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000480366954 999781614 /nfs/dbraw/zinc/78/16/14/999781614.db2.gz NPOKNOLIWRURIC-DEOSSOPVSA-N 1 2 420.557 3.627 20 30 HHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000480366954 999781616 /nfs/dbraw/zinc/78/16/16/999781616.db2.gz NPOKNOLIWRURIC-DEOSSOPVSA-N 1 2 420.557 3.627 20 30 HHEDLO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000490071416 999888827 /nfs/dbraw/zinc/88/88/27/999888827.db2.gz JTOCIRWMCJSUKN-LLVKDONJSA-N 1 2 420.420 3.509 20 30 HHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000492557150 1000132425 /nfs/dbraw/zinc/13/24/25/1000132425.db2.gz HPNINTOODZDZJK-VGOFRKELSA-N 1 2 408.933 3.696 20 30 HHEDLO COCCOCC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1Br ZINC000492652972 1000136923 /nfs/dbraw/zinc/13/69/23/1000136923.db2.gz LKFFGQIFCDQSOU-UHFFFAOYSA-N 1 2 403.320 3.986 20 30 HHEDLO COCCOCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1Br ZINC000492652972 1000136925 /nfs/dbraw/zinc/13/69/25/1000136925.db2.gz LKFFGQIFCDQSOU-UHFFFAOYSA-N 1 2 403.320 3.986 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494227790 1000373916 /nfs/dbraw/zinc/37/39/16/1000373916.db2.gz QSJVANKYVNOMPN-INIZCTEOSA-N 1 2 401.507 3.653 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494227790 1000373919 /nfs/dbraw/zinc/37/39/19/1000373919.db2.gz QSJVANKYVNOMPN-INIZCTEOSA-N 1 2 401.507 3.653 20 30 HHEDLO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505541280 1000888932 /nfs/dbraw/zinc/88/89/32/1000888932.db2.gz WSPHEKZMGDGLCJ-QZTJIDSGSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505541280 1000888936 /nfs/dbraw/zinc/88/89/36/1000888936.db2.gz WSPHEKZMGDGLCJ-QZTJIDSGSA-N 1 2 404.297 3.575 20 30 HHEDLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)nn1-c1cccc(C#N)c1 ZINC000505729691 1000996327 /nfs/dbraw/zinc/99/63/27/1000996327.db2.gz OSZNHBZNMPMRKX-UHFFFAOYSA-N 1 2 420.542 3.993 20 30 HHEDLO Cc1cc(N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000505878008 1001075887 /nfs/dbraw/zinc/07/58/87/1001075887.db2.gz ZYZDWJXAJDPQCU-UHFFFAOYSA-N 1 2 409.509 3.546 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000506859694 1001569561 /nfs/dbraw/zinc/56/95/61/1001569561.db2.gz XREYQVUFXWFYNR-LJQANCHMSA-N 1 2 406.530 3.683 20 30 HHEDLO CCCCCC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000498664757 1002058871 /nfs/dbraw/zinc/05/88/71/1002058871.db2.gz WAXZXROHQJGHPI-OAHLLOKOSA-N 1 2 404.942 3.700 20 30 HHEDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)s1 ZINC000507447178 1002075888 /nfs/dbraw/zinc/07/58/88/1002075888.db2.gz HDSNEGIQHOHGLO-SMDDNHRTSA-N 1 2 405.321 3.623 20 30 HHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)cc1 ZINC000507521038 1002130413 /nfs/dbraw/zinc/13/04/13/1002130413.db2.gz VFAOVOGCMWJPIG-UHFFFAOYSA-N 1 2 413.525 3.825 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000498847416 1002232058 /nfs/dbraw/zinc/23/20/58/1002232058.db2.gz XPSWJAQRAPDRGT-LEWJYISDSA-N 1 2 400.906 3.707 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000498847416 1002232067 /nfs/dbraw/zinc/23/20/67/1002232067.db2.gz XPSWJAQRAPDRGT-LEWJYISDSA-N 1 2 400.906 3.707 20 30 HHEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507819142 1002365136 /nfs/dbraw/zinc/36/51/36/1002365136.db2.gz RLQLBOPSCMPQFQ-KRWDZBQOSA-N 1 2 421.497 3.524 20 30 HHEDLO CC(C)(c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1cc(F)cc(C#N)c1 ZINC000508015756 1002540326 /nfs/dbraw/zinc/54/03/26/1002540326.db2.gz YWPSVLYJBWTVJJ-UHFFFAOYSA-N 1 2 406.461 3.905 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000508293663 1002800889 /nfs/dbraw/zinc/80/08/89/1002800889.db2.gz USZJLQQOROKZMJ-UHFFFAOYSA-N 1 2 424.501 3.591 20 30 HHEDLO C=CCn1c(-c2cccc3ccccc32)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000508508198 1002990647 /nfs/dbraw/zinc/99/06/47/1002990647.db2.gz VWWSHNNKXGRSHY-UHFFFAOYSA-N 1 2 414.513 3.903 20 30 HHEDLO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000508828035 1003250427 /nfs/dbraw/zinc/25/04/27/1003250427.db2.gz OCFFNIWRWJEBMA-GOSISDBHSA-N 1 2 421.467 3.657 20 30 HHEDLO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508904015 1003341411 /nfs/dbraw/zinc/34/14/11/1003341411.db2.gz RNWQCBQQSAKWHO-UHFFFAOYSA-N 1 2 408.937 3.810 20 30 HHEDLO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000508910506 1003350789 /nfs/dbraw/zinc/35/07/89/1003350789.db2.gz CVURGZWAVFTXBH-UHFFFAOYSA-N 1 2 416.888 3.542 20 30 HHEDLO C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000509014472 1003486502 /nfs/dbraw/zinc/48/65/02/1003486502.db2.gz XJALLTDDOMSQJY-OXJNMPFZSA-N 1 2 417.504 3.520 20 30 HHEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cn2c1 ZINC000509095001 1003548861 /nfs/dbraw/zinc/54/88/61/1003548861.db2.gz MJRSSBAMVQGPNA-UHFFFAOYSA-N 1 2 420.538 3.818 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000509248941 1003653251 /nfs/dbraw/zinc/65/32/51/1003653251.db2.gz VJXSPVHWNXBPCX-KRWDZBQOSA-N 1 2 408.502 3.876 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(COc4ccccc4C#N)c3)n2)C1 ZINC000500884466 1004027304 /nfs/dbraw/zinc/02/73/04/1004027304.db2.gz AZICSUPGEQHVMB-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(COc4ccccc4C#N)c3)n2)C1 ZINC000500884466 1004027312 /nfs/dbraw/zinc/02/73/12/1004027312.db2.gz AZICSUPGEQHVMB-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000512194971 1004096010 /nfs/dbraw/zinc/09/60/10/1004096010.db2.gz MOPPOHXLDFQALN-IBGZPJMESA-N 1 2 419.319 3.718 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000512194971 1004096014 /nfs/dbraw/zinc/09/60/14/1004096014.db2.gz MOPPOHXLDFQALN-IBGZPJMESA-N 1 2 419.319 3.718 20 30 HHEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)ccc1OC ZINC000512216296 1004117851 /nfs/dbraw/zinc/11/78/51/1004117851.db2.gz ZPASGNXZFNSUCM-UHFFFAOYSA-N 1 2 406.477 3.560 20 30 HHEDLO Cc1nc(CC[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cs1 ZINC000501056268 1004158799 /nfs/dbraw/zinc/15/87/99/1004158799.db2.gz YGODLTIDTIOCJF-SFHVURJKSA-N 1 2 405.365 3.639 20 30 HHEDLO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C(C)C ZINC000512282431 1004184244 /nfs/dbraw/zinc/18/42/44/1004184244.db2.gz SIOKSFUYCOYRCK-UHFFFAOYSA-N 1 2 406.530 3.869 20 30 HHEDLO CC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C(C)C ZINC000512282431 1004184251 /nfs/dbraw/zinc/18/42/51/1004184251.db2.gz SIOKSFUYCOYRCK-UHFFFAOYSA-N 1 2 406.530 3.869 20 30 HHEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CCCCC1 ZINC000501112661 1004212790 /nfs/dbraw/zinc/21/27/90/1004212790.db2.gz MWYHFCGEFQOZMZ-LJQANCHMSA-N 1 2 419.573 3.798 20 30 HHEDLO Cc1nc(SCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(C#N)c(C)c1C ZINC000501295730 1004337381 /nfs/dbraw/zinc/33/73/81/1004337381.db2.gz UDZXYLDGOZHYGS-UHFFFAOYSA-N 1 2 409.559 3.672 20 30 HHEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000512946260 1004716614 /nfs/dbraw/zinc/71/66/14/1004716614.db2.gz ABUONLQLBMSVNK-OAHLLOKOSA-N 1 2 416.422 3.789 20 30 HHEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000513112926 1004813560 /nfs/dbraw/zinc/81/35/60/1004813560.db2.gz HGNKAHFONPIPJG-UHFFFAOYSA-N 1 2 419.464 3.590 20 30 HHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)c1 ZINC000502168138 1004935106 /nfs/dbraw/zinc/93/51/06/1004935106.db2.gz DVRISQNDWDHFJY-UHFFFAOYSA-N 1 2 421.888 3.711 20 30 HHEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502178240 1004940990 /nfs/dbraw/zinc/94/09/90/1004940990.db2.gz ZDDKEHMVDGRSRX-AWEZNQCLSA-N 1 2 412.440 3.514 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511574227 1005230154 /nfs/dbraw/zinc/23/01/54/1005230154.db2.gz PCVJSOYCUWKFHJ-WOJBJXKFSA-N 1 2 403.860 3.714 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511574227 1005230159 /nfs/dbraw/zinc/23/01/59/1005230159.db2.gz PCVJSOYCUWKFHJ-WOJBJXKFSA-N 1 2 403.860 3.714 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000503534921 1005446068 /nfs/dbraw/zinc/44/60/68/1005446068.db2.gz YRKOEGBFVXUSDW-UHFFFAOYSA-N 1 2 403.313 3.892 20 30 HHEDLO CC(C)(C#N)c1ccc(NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000514514379 1006015954 /nfs/dbraw/zinc/01/59/54/1006015954.db2.gz IXDFURLEPGXFCU-UHFFFAOYSA-N 1 2 419.529 3.712 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534514558 1006510050 /nfs/dbraw/zinc/51/00/50/1006510050.db2.gz GHPLNGYKJBJZPV-UHFFFAOYSA-N 1 2 418.522 3.817 20 30 HHEDLO Cc1cc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nn1CCC#N ZINC000538617109 1006886655 /nfs/dbraw/zinc/88/66/55/1006886655.db2.gz HRTGFYLTRRSYFG-KRWDZBQOSA-N 1 2 418.904 3.684 20 30 HHEDLO Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nn1CCC#N ZINC000538617109 1006886670 /nfs/dbraw/zinc/88/66/70/1006886670.db2.gz HRTGFYLTRRSYFG-KRWDZBQOSA-N 1 2 418.904 3.684 20 30 HHEDLO COCCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000534864867 1006890030 /nfs/dbraw/zinc/89/00/30/1006890030.db2.gz KHCIBDRHIGFCHK-FQEVSTJZSA-N 1 2 416.566 3.548 20 30 HHEDLO COCCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000534864867 1006890042 /nfs/dbraw/zinc/89/00/42/1006890042.db2.gz KHCIBDRHIGFCHK-FQEVSTJZSA-N 1 2 416.566 3.548 20 30 HHEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)C2)n1 ZINC000532486703 1006926848 /nfs/dbraw/zinc/92/68/48/1006926848.db2.gz NVPQEZZZENIRSG-SFHVURJKSA-N 1 2 424.549 3.991 20 30 HHEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)C2)n1 ZINC000532486703 1006926856 /nfs/dbraw/zinc/92/68/56/1006926856.db2.gz NVPQEZZZENIRSG-SFHVURJKSA-N 1 2 424.549 3.991 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(C#N)c1C ZINC000532689234 1007103692 /nfs/dbraw/zinc/10/36/92/1007103692.db2.gz RYCKAGFHCJLJKR-OAHLLOKOSA-N 1 2 418.501 3.760 20 30 HHEDLO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cc(C#N)ccc4F)CC3)cc2NC1=O ZINC000532690762 1007105759 /nfs/dbraw/zinc/10/57/59/1007105759.db2.gz RSCWFTKILXSAHZ-AWEZNQCLSA-N 1 2 407.445 3.512 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000517037395 1007376463 /nfs/dbraw/zinc/37/64/63/1007376463.db2.gz XVAPLBPKVNINSS-FQEVSTJZSA-N 1 2 420.513 3.988 20 30 HHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c2ccccc21 ZINC000533422268 1007731597 /nfs/dbraw/zinc/73/15/97/1007731597.db2.gz SDTPTCJHMYXXIH-UHFFFAOYSA-N 1 2 411.509 3.822 20 30 HHEDLO N#CCCn1cc(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c2ccccc21 ZINC000533422268 1007731613 /nfs/dbraw/zinc/73/16/13/1007731613.db2.gz SDTPTCJHMYXXIH-UHFFFAOYSA-N 1 2 411.509 3.822 20 30 HHEDLO C=CCOCC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000517817193 1007989772 /nfs/dbraw/zinc/98/97/72/1007989772.db2.gz BFONXVWEVQQGKK-IBGZPJMESA-N 1 2 402.585 3.888 20 30 HHEDLO C=CCOCC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000517817193 1007989817 /nfs/dbraw/zinc/98/98/17/1007989817.db2.gz BFONXVWEVQQGKK-IBGZPJMESA-N 1 2 402.585 3.888 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540255308 1008355932 /nfs/dbraw/zinc/35/59/32/1008355932.db2.gz XSIJLMCUQSJASV-WOJBJXKFSA-N 1 2 400.885 3.985 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540255308 1008355938 /nfs/dbraw/zinc/35/59/38/1008355938.db2.gz XSIJLMCUQSJASV-WOJBJXKFSA-N 1 2 400.885 3.985 20 30 HHEDLO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nc(-c2nc[nH]n2)no1 ZINC000518629761 1008372086 /nfs/dbraw/zinc/37/20/86/1008372086.db2.gz VVJDORXVTTUDQT-CQSZACIVSA-N 1 2 405.384 3.622 20 30 HHEDLO N#Cc1cccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000518967521 1008490275 /nfs/dbraw/zinc/49/02/75/1008490275.db2.gz SBSRONYLZHCTTA-IBGZPJMESA-N 1 2 400.885 3.815 20 30 HHEDLO N#Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000518967521 1008490278 /nfs/dbraw/zinc/49/02/78/1008490278.db2.gz SBSRONYLZHCTTA-IBGZPJMESA-N 1 2 400.885 3.815 20 30 HHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000542963716 1008536683 /nfs/dbraw/zinc/53/66/83/1008536683.db2.gz ZUMURZIRVKHXNR-UHFFFAOYSA-N 1 2 421.892 3.714 20 30 HHEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549414169 1009002133 /nfs/dbraw/zinc/00/21/33/1009002133.db2.gz VOKOMMYJOVHXOG-SFHVURJKSA-N 1 2 410.949 3.549 20 30 HHEDLO COc1cccc([C@H]2[C@@H](NCc3nnc(-c4cccc(C#N)c4)o3)CC[N@@H+]2C2CC2)c1 ZINC000549470847 1009065078 /nfs/dbraw/zinc/06/50/78/1009065078.db2.gz DXDNPHPLGYBAPV-GMAHTHKFSA-N 1 2 415.497 3.684 20 30 HHEDLO COc1cccc([C@H]2[C@@H](NCc3nnc(-c4cccc(C#N)c4)o3)CC[N@H+]2C2CC2)c1 ZINC000549470847 1009065083 /nfs/dbraw/zinc/06/50/83/1009065083.db2.gz DXDNPHPLGYBAPV-GMAHTHKFSA-N 1 2 415.497 3.684 20 30 HHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccc(C)o1 ZINC000543485733 1009074208 /nfs/dbraw/zinc/07/42/08/1009074208.db2.gz IISIYOBNRWDLPQ-FQEVSTJZSA-N 1 2 424.476 3.922 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000549478538 1009076675 /nfs/dbraw/zinc/07/66/75/1009076675.db2.gz SUIOVDGHBPRBSG-UHFFFAOYSA-N 1 2 400.276 3.544 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000549478538 1009076697 /nfs/dbraw/zinc/07/66/97/1009076697.db2.gz SUIOVDGHBPRBSG-UHFFFAOYSA-N 1 2 400.276 3.544 20 30 HHEDLO Cc1nc(N2CCN(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)CC2)cc[nH+]1 ZINC000546838384 1009796096 /nfs/dbraw/zinc/79/60/96/1009796096.db2.gz XFDGUJLURNEMHE-UHFFFAOYSA-N 1 2 414.469 3.803 20 30 HHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000521694347 1010556151 /nfs/dbraw/zinc/55/61/51/1010556151.db2.gz IIZOJWQBRQCSLB-UHFFFAOYSA-N 1 2 405.458 3.737 20 30 HHEDLO Cc1cc([C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)ccc1F ZINC000536212344 1011359633 /nfs/dbraw/zinc/35/96/33/1011359633.db2.gz BSPKKSLDVLQIHZ-HSZRJFAPSA-N 1 2 406.505 3.984 20 30 HHEDLO C=CCCCN(C)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000523033200 1011502583 /nfs/dbraw/zinc/50/25/83/1011502583.db2.gz MWRNVLTXWILRRN-UHFFFAOYSA-N 1 2 411.525 3.655 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000540864800 1011539868 /nfs/dbraw/zinc/53/98/68/1011539868.db2.gz QHWWRBHRDVGLMX-MAUKXSAKSA-N 1 2 418.501 3.760 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000540864800 1011539872 /nfs/dbraw/zinc/53/98/72/1011539872.db2.gz QHWWRBHRDVGLMX-MAUKXSAKSA-N 1 2 418.501 3.760 20 30 HHEDLO C[C@H]([C@H](C)NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000536418765 1011634820 /nfs/dbraw/zinc/63/48/20/1011634820.db2.gz CMXXCRAFLGENAA-JKSUJKDBSA-N 1 2 413.905 3.843 20 30 HHEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000536535468 1011722728 /nfs/dbraw/zinc/72/27/28/1011722728.db2.gz KRPOOGDVJBOUGP-UHFFFAOYSA-N 1 2 421.526 3.919 20 30 HHEDLO C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000541092859 1011737132 /nfs/dbraw/zinc/73/71/32/1011737132.db2.gz OCJZWEHRCSQPFX-CEXWTWQISA-N 1 2 406.530 3.695 20 30 HHEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)nc1 ZINC000523306696 1011784561 /nfs/dbraw/zinc/78/45/61/1011784561.db2.gz BKOQQYVXLZFONB-UHFFFAOYSA-N 1 2 406.486 3.779 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000536733590 1011908044 /nfs/dbraw/zinc/90/80/44/1011908044.db2.gz DNYFEOQVXPCJCJ-WOJBJXKFSA-N 1 2 408.521 3.840 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536918163 1012196024 /nfs/dbraw/zinc/19/60/24/1012196024.db2.gz YYWZUBBJZXTVHJ-FUHWJXTLSA-N 1 2 407.276 3.964 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536918163 1012196041 /nfs/dbraw/zinc/19/60/41/1012196041.db2.gz YYWZUBBJZXTVHJ-FUHWJXTLSA-N 1 2 407.276 3.964 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3OCC(F)F)CC2)cc1 ZINC000536940541 1012234282 /nfs/dbraw/zinc/23/42/82/1012234282.db2.gz SBKHLVJOHUMESM-UHFFFAOYSA-N 1 2 418.419 3.691 20 30 HHEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccc(Cl)s1 ZINC000537172243 1012576066 /nfs/dbraw/zinc/57/60/66/1012576066.db2.gz KJKQQULTWCIXMB-INIZCTEOSA-N 1 2 423.007 3.694 20 30 HHEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccc(Cl)s1 ZINC000537172243 1012576082 /nfs/dbraw/zinc/57/60/82/1012576082.db2.gz KJKQQULTWCIXMB-INIZCTEOSA-N 1 2 423.007 3.694 20 30 HHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1C ZINC000541906289 1012765621 /nfs/dbraw/zinc/76/56/21/1012765621.db2.gz LCVBNQZEQIHACS-UHFFFAOYSA-N 1 2 408.437 3.567 20 30 HHEDLO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537435068 1012924695 /nfs/dbraw/zinc/92/46/95/1012924695.db2.gz KUFUUALOTSLPDH-MSOLQXFVSA-N 1 2 401.935 3.616 20 30 HHEDLO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537435068 1012924709 /nfs/dbraw/zinc/92/47/09/1012924709.db2.gz KUFUUALOTSLPDH-MSOLQXFVSA-N 1 2 401.935 3.616 20 30 HHEDLO COCC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000524167019 1012959372 /nfs/dbraw/zinc/95/93/72/1012959372.db2.gz JFXWQFOJULAYQN-XMMPIXPASA-N 1 2 419.550 3.974 20 30 HHEDLO COCC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000524167019 1012959387 /nfs/dbraw/zinc/95/93/87/1012959387.db2.gz JFXWQFOJULAYQN-XMMPIXPASA-N 1 2 419.550 3.974 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542094211 1013023011 /nfs/dbraw/zinc/02/30/11/1013023011.db2.gz YKHRDVPDTPGTGI-CTNGQTDRSA-N 1 2 413.443 3.959 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542094211 1013023037 /nfs/dbraw/zinc/02/30/37/1013023037.db2.gz YKHRDVPDTPGTGI-CTNGQTDRSA-N 1 2 413.443 3.959 20 30 HHEDLO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Oc4cccc(C#N)c4)CC3)C2=O)cc1Cl ZINC000729679527 1071796627 /nfs/dbraw/zinc/79/66/27/1071796627.db2.gz RDZLQSPNUPFOOM-NRFANRHFSA-N 1 2 423.900 3.695 20 30 HHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000614922480 1071986704 /nfs/dbraw/zinc/98/67/04/1071986704.db2.gz UPRSJASIVKQCIB-KBXCAEBGSA-N 1 2 401.404 3.504 20 30 HHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000614922480 1071986712 /nfs/dbraw/zinc/98/67/12/1071986712.db2.gz UPRSJASIVKQCIB-KBXCAEBGSA-N 1 2 401.404 3.504 20 30 HHEDLO N#Cc1ccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cn2)cc1 ZINC000615072735 1072085440 /nfs/dbraw/zinc/08/54/40/1072085440.db2.gz MYWYPUZFGALEJQ-UHFFFAOYSA-N 1 2 424.420 3.508 20 30 HHEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000574479406 1075253431 /nfs/dbraw/zinc/25/34/31/1075253431.db2.gz FZSNSZZHIJGPBH-PKTZIBPZSA-N 1 2 417.488 3.648 20 30 HHEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000574479406 1075253434 /nfs/dbraw/zinc/25/34/34/1075253434.db2.gz FZSNSZZHIJGPBH-PKTZIBPZSA-N 1 2 417.488 3.648 20 30 HHEDLO N#CCCn1ncc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1-c1ccccc1 ZINC000575163511 1075491183 /nfs/dbraw/zinc/49/11/83/1075491183.db2.gz DGAWKXKORDIMIB-UHFFFAOYSA-N 1 2 410.481 3.639 20 30 HHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C\c3c[nH+]c4c(C)cccn34)c2)cc1 ZINC000761197408 1075581174 /nfs/dbraw/zinc/58/11/74/1075581174.db2.gz COGHESAAVMOAGW-YFHOEESVSA-N 1 2 405.479 3.886 20 30 HHEDLO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761240577 1075712073 /nfs/dbraw/zinc/71/20/73/1075712073.db2.gz QKYDZDOBHKAMIM-QFIPXVFZSA-N 1 2 417.465 3.870 20 30 HHEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)n1 ZINC000301513177 970962867 /nfs/dbraw/zinc/96/28/67/970962867.db2.gz BGPAYIOZNCWYNB-QGZVFWFLSA-N 1 2 420.517 3.526 20 30 HHEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)n1 ZINC000301513177 970962874 /nfs/dbraw/zinc/96/28/74/970962874.db2.gz BGPAYIOZNCWYNB-QGZVFWFLSA-N 1 2 420.517 3.526 20 30 HHEDLO N#Cc1ccnc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000301897249 971103934 /nfs/dbraw/zinc/10/39/34/971103934.db2.gz RBEUTHOUVLKLAF-UHFFFAOYSA-N 1 2 406.273 3.533 20 30 HHEDLO N#Cc1cccc(CSc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)c1 ZINC000302644436 971269905 /nfs/dbraw/zinc/26/99/05/971269905.db2.gz UPUZVNYCYHEJKN-UHFFFAOYSA-N 1 2 423.517 3.580 20 30 HHEDLO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000302816422 971334287 /nfs/dbraw/zinc/33/42/87/971334287.db2.gz WAUCRHSIOJLMRV-FQEVSTJZSA-N 1 2 406.530 3.543 20 30 HHEDLO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000303302773 971612774 /nfs/dbraw/zinc/61/27/74/971612774.db2.gz DBFMQRWLVXRPKF-MSOLQXFVSA-N 1 2 416.591 3.648 20 30 HHEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000303302773 971612780 /nfs/dbraw/zinc/61/27/80/971612780.db2.gz DBFMQRWLVXRPKF-MSOLQXFVSA-N 1 2 416.591 3.648 20 30 HHEDLO CN(C(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)C1(C#N)CCCCC1 ZINC000537564253 1013100594 /nfs/dbraw/zinc/10/05/94/1013100594.db2.gz RQRNZOFNLQVOOV-LJQANCHMSA-N 1 2 412.582 3.717 20 30 HHEDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000303399931 971682048 /nfs/dbraw/zinc/68/20/48/971682048.db2.gz QQCJABVBRKNQIZ-ZWKOTPCHSA-N 1 2 416.591 3.504 20 30 HHEDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000303399931 971682057 /nfs/dbraw/zinc/68/20/57/971682057.db2.gz QQCJABVBRKNQIZ-ZWKOTPCHSA-N 1 2 416.591 3.504 20 30 HHEDLO C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000303476599 971776955 /nfs/dbraw/zinc/77/69/55/971776955.db2.gz NXUYWXGGWFQZCK-SFHVURJKSA-N 1 2 410.493 3.657 20 30 HHEDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303639041 971918441 /nfs/dbraw/zinc/91/84/41/971918441.db2.gz ARRXFYFLLNZPKG-NSHDSACASA-N 1 2 400.338 3.690 20 30 HHEDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303639041 971918461 /nfs/dbraw/zinc/91/84/61/971918461.db2.gz ARRXFYFLLNZPKG-NSHDSACASA-N 1 2 400.338 3.690 20 30 HHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000303645158 971924824 /nfs/dbraw/zinc/92/48/24/971924824.db2.gz CGZCRNXSBSFPFS-IBGZPJMESA-N 1 2 408.521 3.647 20 30 HHEDLO N#Cc1ccc(OCC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000016003255 962912732 /nfs/dbraw/zinc/91/27/32/962912732.db2.gz MNEVHKMDHFVLEU-UHFFFAOYSA-N 1 2 404.495 3.591 20 30 HHEDLO N#Cc1ccc(OCC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000016003255 962912744 /nfs/dbraw/zinc/91/27/44/962912744.db2.gz MNEVHKMDHFVLEU-UHFFFAOYSA-N 1 2 404.495 3.591 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1cccs1 ZINC000019540607 963368582 /nfs/dbraw/zinc/36/85/82/963368582.db2.gz DJDUNZNMBOJMDK-UHFFFAOYSA-N 1 2 421.448 3.974 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1cccs1 ZINC000019540607 963368587 /nfs/dbraw/zinc/36/85/87/963368587.db2.gz DJDUNZNMBOJMDK-UHFFFAOYSA-N 1 2 421.448 3.974 20 30 HHEDLO COc1ccc(C(=O)C[C@@H](C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000542487604 1013434338 /nfs/dbraw/zinc/43/43/38/1013434338.db2.gz BMZSSCMYGMBUEY-LJQANCHMSA-N 1 2 419.525 3.510 20 30 HHEDLO COc1ccc(C(=O)C[C@@H](C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000542487604 1013434343 /nfs/dbraw/zinc/43/43/43/1013434343.db2.gz BMZSSCMYGMBUEY-LJQANCHMSA-N 1 2 419.525 3.510 20 30 HHEDLO CC(C)C[C@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000023257899 963789361 /nfs/dbraw/zinc/78/93/61/963789361.db2.gz FFBGCQJOBLKTPW-DEOSSOPVSA-N 1 2 404.558 3.579 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023355979 963806091 /nfs/dbraw/zinc/80/60/91/963806091.db2.gz RHYVDPKIQHRSSX-MRXNPFEDSA-N 1 2 418.488 3.923 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000023355979 963806096 /nfs/dbraw/zinc/80/60/96/963806096.db2.gz RHYVDPKIQHRSSX-MRXNPFEDSA-N 1 2 418.488 3.923 20 30 HHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CSCc3ccc(C#N)cc3)n2)C1 ZINC000049623933 964184175 /nfs/dbraw/zinc/18/41/75/964184175.db2.gz LEPXEEJQQHFYCK-OAHLLOKOSA-N 1 2 400.573 4.119 20 30 HHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CSCc3ccc(C#N)cc3)n2)C1 ZINC000049623933 964184183 /nfs/dbraw/zinc/18/41/83/964184183.db2.gz LEPXEEJQQHFYCK-OAHLLOKOSA-N 1 2 400.573 4.119 20 30 HHEDLO CC(C)Cn1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C(F)F)n1 ZINC000537912308 1013497632 /nfs/dbraw/zinc/49/76/32/1013497632.db2.gz XDVMMJJYFJMJKC-UHFFFAOYSA-N 1 2 416.476 3.698 20 30 HHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1OC(F)F ZINC000026160167 964470153 /nfs/dbraw/zinc/47/01/53/964470153.db2.gz DZTQRMQFBJRCLA-INIZCTEOSA-N 1 2 414.456 3.748 20 30 HHEDLO C[C@H](NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000026467945 964575284 /nfs/dbraw/zinc/57/52/84/964575284.db2.gz PIXIGQUPLSZZTK-OALUTQOASA-N 1 2 416.525 3.688 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027289446 964841908 /nfs/dbraw/zinc/84/19/08/964841908.db2.gz LXAZRXFYXGWHSO-UHFFFAOYSA-N 1 2 409.555 3.927 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000027289446 964841913 /nfs/dbraw/zinc/84/19/13/964841913.db2.gz LXAZRXFYXGWHSO-UHFFFAOYSA-N 1 2 409.555 3.927 20 30 HHEDLO N#Cc1c(NC(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)sc2c1CCCCC2 ZINC000027908708 964996554 /nfs/dbraw/zinc/99/65/54/964996554.db2.gz ISSFAQOKBWNSLS-UHFFFAOYSA-N 1 2 422.554 3.591 20 30 HHEDLO N#Cc1c(NC(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)sc2c1CCCCC2 ZINC000027908708 964996564 /nfs/dbraw/zinc/99/65/64/964996564.db2.gz ISSFAQOKBWNSLS-UHFFFAOYSA-N 1 2 422.554 3.591 20 30 HHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)nc1C ZINC000542613946 1013550089 /nfs/dbraw/zinc/55/00/89/1013550089.db2.gz BBYNUOKRCHGHIV-JKSUJKDBSA-N 1 2 414.531 3.614 20 30 HHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)nc1C ZINC000542613945 1013550121 /nfs/dbraw/zinc/55/01/21/1013550121.db2.gz BBYNUOKRCHGHIV-HZPDHXFCSA-N 1 2 414.531 3.614 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)ccc1Cl ZINC000542614663 1013550759 /nfs/dbraw/zinc/55/07/59/1013550759.db2.gz UJPZSBRXMDYEBH-KRWDZBQOSA-N 1 2 422.920 3.827 20 30 HHEDLO Cc1c2c(nc(SCC(=O)Nc3nc(C[NH+]4CCCC4)cs3)c1C#N)CCC2 ZINC000053570325 965216993 /nfs/dbraw/zinc/21/69/93/965216993.db2.gz XZUNDNHFERNHCR-UHFFFAOYSA-N 1 2 413.572 3.534 20 30 HHEDLO C[C@H](c1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000029001550 965237115 /nfs/dbraw/zinc/23/71/15/965237115.db2.gz KHCDZMQFPXRCFR-GFCCVEGCSA-N 1 2 412.450 3.960 20 30 HHEDLO N#Cc1ccccc1OCC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000060466720 966158144 /nfs/dbraw/zinc/15/81/44/966158144.db2.gz XPCWDDYIIUKAKH-UHFFFAOYSA-N 1 2 404.539 3.878 20 30 HHEDLO C=CCc1cc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc(OC)c1OC ZINC000033232944 966399735 /nfs/dbraw/zinc/39/97/35/966399735.db2.gz JUDJTUOMPWTTKJ-UHFFFAOYSA-N 1 2 424.545 3.617 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000056750832 966446442 /nfs/dbraw/zinc/44/64/42/966446442.db2.gz MIVRNOPIXQBPLK-OAHLLOKOSA-N 1 2 414.893 3.846 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754267 966947507 /nfs/dbraw/zinc/94/75/07/966947507.db2.gz VYIPCBSAKCEWBL-UHFFFAOYSA-N 1 2 423.847 3.900 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000063754267 966947509 /nfs/dbraw/zinc/94/75/09/966947509.db2.gz VYIPCBSAKCEWBL-UHFFFAOYSA-N 1 2 423.847 3.900 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000538147953 1013707575 /nfs/dbraw/zinc/70/75/75/1013707575.db2.gz RTBUZZOVKMDGRZ-IRXDYDNUSA-N 1 2 424.574 3.683 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000538147953 1013707584 /nfs/dbraw/zinc/70/75/84/1013707584.db2.gz RTBUZZOVKMDGRZ-IRXDYDNUSA-N 1 2 424.574 3.683 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000045156350 967366874 /nfs/dbraw/zinc/36/68/74/967366874.db2.gz KLPDDYHUDAXFCZ-HSZRJFAPSA-N 1 2 400.482 3.768 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000045567502 967498298 /nfs/dbraw/zinc/49/82/98/967498298.db2.gz UUDXOUOGCJVGAC-DEOSSOPVSA-N 1 2 411.509 3.570 20 30 HHEDLO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000045840556 967570247 /nfs/dbraw/zinc/57/02/47/967570247.db2.gz BCEDEGSVSLOICN-KRWDZBQOSA-N 1 2 405.477 3.935 20 30 HHEDLO CC(C)Oc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000046066876 967650992 /nfs/dbraw/zinc/65/09/92/967650992.db2.gz RUGJOKCREZFDPI-LJQANCHMSA-N 1 2 406.530 3.934 20 30 HHEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000554014430 1013754538 /nfs/dbraw/zinc/75/45/38/1013754538.db2.gz YNPIWRNGTPAOAQ-FUHIMQAGSA-N 1 2 402.498 3.971 20 30 HHEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000554014430 1013754543 /nfs/dbraw/zinc/75/45/43/1013754543.db2.gz YNPIWRNGTPAOAQ-FUHIMQAGSA-N 1 2 402.498 3.971 20 30 HHEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1C(F)(F)F ZINC000065950086 968734625 /nfs/dbraw/zinc/73/46/25/968734625.db2.gz UQGUCCJZBKTYTK-UHFFFAOYSA-N 1 2 413.403 3.833 20 30 HHEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1C(F)(F)F ZINC000065950086 968734628 /nfs/dbraw/zinc/73/46/28/968734628.db2.gz UQGUCCJZBKTYTK-UHFFFAOYSA-N 1 2 413.403 3.833 20 30 HHEDLO NC(=[NH+]OCC(=O)Nc1cc(F)cc(F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000109438487 969517282 /nfs/dbraw/zinc/51/72/82/969517282.db2.gz BTYODUIHYRGNAE-UHFFFAOYSA-N 1 2 411.408 3.819 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000115892180 969860095 /nfs/dbraw/zinc/86/00/95/969860095.db2.gz FTCIJXGPNCXBLS-MRXNPFEDSA-N 1 2 420.332 3.784 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000115892180 969860098 /nfs/dbraw/zinc/86/00/98/969860098.db2.gz FTCIJXGPNCXBLS-MRXNPFEDSA-N 1 2 420.332 3.784 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426203235 974309801 /nfs/dbraw/zinc/30/98/01/974309801.db2.gz YYGMAPOKFQFNOO-CVEARBPZSA-N 1 2 403.548 3.540 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426203235 974309809 /nfs/dbraw/zinc/30/98/09/974309809.db2.gz YYGMAPOKFQFNOO-CVEARBPZSA-N 1 2 403.548 3.540 20 30 HHEDLO C=CCN(CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)Cc1cccc(C#N)c1 ZINC000428467074 975767252 /nfs/dbraw/zinc/76/72/52/975767252.db2.gz XACKNWGSTKRFCB-UHFFFAOYSA-N 1 2 423.586 3.873 20 30 HHEDLO Cc1cc(C(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1ccco1 ZINC000428796152 976072464 /nfs/dbraw/zinc/07/24/64/976072464.db2.gz UXPBEUQHMQKTIZ-GHTZIAJQSA-N 1 2 418.497 3.737 20 30 HHEDLO Cc1cc(C(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1ccco1 ZINC000428796152 976072474 /nfs/dbraw/zinc/07/24/74/976072474.db2.gz UXPBEUQHMQKTIZ-GHTZIAJQSA-N 1 2 418.497 3.737 20 30 HHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429467168 976736336 /nfs/dbraw/zinc/73/63/36/976736336.db2.gz ZYKPDABWZVZMEL-IBGZPJMESA-N 1 2 401.470 3.779 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4cccc(Br)c4)c[nH]3)C2)nc1 ZINC000430177912 977372167 /nfs/dbraw/zinc/37/21/67/977372167.db2.gz NNCGGWCLVYMWKB-KRWDZBQOSA-N 1 2 424.302 3.759 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4cccc(Br)c4)c[nH]3)C2)nc1 ZINC000430177912 977372173 /nfs/dbraw/zinc/37/21/73/977372173.db2.gz NNCGGWCLVYMWKB-KRWDZBQOSA-N 1 2 424.302 3.759 20 30 HHEDLO N#Cc1ccc(OCCNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000430851272 977803727 /nfs/dbraw/zinc/80/37/27/977803727.db2.gz YTUIZYKMKSHDEV-UHFFFAOYSA-N 1 2 423.904 3.699 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C#N)CCc3ccccc3)CCCC2)no1 ZINC000433301661 979224296 /nfs/dbraw/zinc/22/42/96/979224296.db2.gz HBHYTFDLQXZYJV-IBGZPJMESA-N 1 2 409.534 3.569 20 30 HHEDLO N#C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc(Br)c1 ZINC000433371643 979259367 /nfs/dbraw/zinc/25/93/67/979259367.db2.gz MALJEVGCNDHUID-LJQANCHMSA-N 1 2 409.287 3.617 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3cc(F)ccc3F)C(F)F)CC2)cc1 ZINC000433646505 979450111 /nfs/dbraw/zinc/45/01/11/979450111.db2.gz SVRGJDQAAHRBNL-LJQANCHMSA-N 1 2 420.410 3.670 20 30 HHEDLO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434374368 980121521 /nfs/dbraw/zinc/12/15/21/980121521.db2.gz SAFTVJHKDXPCPV-RBUKOAKNSA-N 1 2 406.530 3.648 20 30 HHEDLO Cc1ccn(C2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)n1 ZINC000434510961 980221763 /nfs/dbraw/zinc/22/17/63/980221763.db2.gz OQWDAEDAYUZNLS-UHFFFAOYSA-N 1 2 408.550 3.872 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434671686 980331319 /nfs/dbraw/zinc/33/13/19/980331319.db2.gz VNRVEAGUFIMZPH-IBGZPJMESA-N 1 2 405.546 3.734 20 30 HHEDLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000434691395 980343825 /nfs/dbraw/zinc/34/38/25/980343825.db2.gz QPMOIMQJQHQWJH-KRWDZBQOSA-N 1 2 405.477 3.944 20 30 HHEDLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000434691395 980343834 /nfs/dbraw/zinc/34/38/34/980343834.db2.gz QPMOIMQJQHQWJH-KRWDZBQOSA-N 1 2 405.477 3.944 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000434796366 980403962 /nfs/dbraw/zinc/40/39/62/980403962.db2.gz PYVDMJNPSAQYCO-UHFFFAOYSA-N 1 2 418.522 3.560 20 30 HHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000436178168 981237306 /nfs/dbraw/zinc/23/73/06/981237306.db2.gz SEUSRVRCBMNUNH-UHFFFAOYSA-N 1 2 405.889 3.668 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000437327663 981979219 /nfs/dbraw/zinc/97/92/19/981979219.db2.gz WIEOTKZBPHJNDT-UHFFFAOYSA-N 1 2 418.950 3.534 20 30 HHEDLO C=C(C)Cn1c(CCCC)nnc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000460396139 982176743 /nfs/dbraw/zinc/17/67/43/982176743.db2.gz XIXWXFAOIVGGIE-UHFFFAOYSA-N 1 2 419.577 3.705 20 30 HHEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000437642509 982262166 /nfs/dbraw/zinc/26/21/66/982262166.db2.gz VTXCLPJBLOAGRH-UHFFFAOYSA-N 1 2 412.331 3.516 20 30 HHEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000460805605 982558949 /nfs/dbraw/zinc/55/89/49/982558949.db2.gz UDULNUDQSSIXNU-UHFFFAOYSA-N 1 2 417.561 3.630 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000441637619 984367640 /nfs/dbraw/zinc/36/76/40/984367640.db2.gz VQCJNXMUTSUCQW-ZDUSSCGKSA-N 1 2 400.470 3.536 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000441637619 984367647 /nfs/dbraw/zinc/36/76/47/984367647.db2.gz VQCJNXMUTSUCQW-ZDUSSCGKSA-N 1 2 400.470 3.536 20 30 HHEDLO N#Cc1cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1OC(F)(F)F ZINC000442034488 984603398 /nfs/dbraw/zinc/60/33/98/984603398.db2.gz QFXOXJIZSQSDBM-UHFFFAOYSA-N 1 2 405.380 3.642 20 30 HHEDLO N#Cc1cc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)ccc1OC(F)(F)F ZINC000442081679 984627172 /nfs/dbraw/zinc/62/71/72/984627172.db2.gz PQYIMFRTBJPUSP-UHFFFAOYSA-N 1 2 401.348 3.964 20 30 HHEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1O ZINC000443331742 985500318 /nfs/dbraw/zinc/50/03/18/985500318.db2.gz MAPOQGGNRJRGQK-UHFFFAOYSA-N 1 2 403.404 3.677 20 30 HHEDLO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccccc2OC)cc1 ZINC000443455140 985623772 /nfs/dbraw/zinc/62/37/72/985623772.db2.gz QALOUXWQEAVWTB-DEOSSOPVSA-N 1 2 401.466 3.893 20 30 HHEDLO N#Cc1ccc(N2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)nc1 ZINC000443513630 985684806 /nfs/dbraw/zinc/68/48/06/985684806.db2.gz BJMXEDOZLQFJOP-UHFFFAOYSA-N 1 2 412.266 3.730 20 30 HHEDLO C=CCNC(=O)c1ccc(N2CC[NH+]([C@H](CC)c3ccc(F)cc3F)CC2)nc1 ZINC000462900481 985828808 /nfs/dbraw/zinc/82/88/08/985828808.db2.gz NACHAWGKDUBCGL-HXUWFJFHSA-N 1 2 400.473 3.549 20 30 HHEDLO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1cccc(F)c1 ZINC000468248965 985947023 /nfs/dbraw/zinc/94/70/23/985947023.db2.gz GIKVRASMPWLCNE-GOSISDBHSA-N 1 2 407.489 3.641 20 30 HHEDLO C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1cccc(F)c1 ZINC000468248965 985947039 /nfs/dbraw/zinc/94/70/39/985947039.db2.gz GIKVRASMPWLCNE-GOSISDBHSA-N 1 2 407.489 3.641 20 30 HHEDLO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1cccc(F)c1 ZINC000468248966 985947199 /nfs/dbraw/zinc/94/71/99/985947199.db2.gz GIKVRASMPWLCNE-SFHVURJKSA-N 1 2 407.489 3.641 20 30 HHEDLO C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1cccc(F)c1 ZINC000468248966 985947208 /nfs/dbraw/zinc/94/72/08/985947208.db2.gz GIKVRASMPWLCNE-SFHVURJKSA-N 1 2 407.489 3.641 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(OC)c1 ZINC000463032336 985991603 /nfs/dbraw/zinc/99/16/03/985991603.db2.gz IFKHPAVBIQHDBY-QGZVFWFLSA-N 1 2 400.544 3.769 20 30 HHEDLO O=S(=O)(c1ccc(C(F)(F)F)cc1F)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000444050557 986249339 /nfs/dbraw/zinc/24/93/39/986249339.db2.gz ITXVXOGEXYWBQE-UHFFFAOYSA-N 1 2 402.291 3.997 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463447653 986427555 /nfs/dbraw/zinc/42/75/55/986427555.db2.gz ZUUCEIHBPBPJCE-MBSDFSHPSA-N 1 2 409.555 3.655 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463447653 986427559 /nfs/dbraw/zinc/42/75/59/986427559.db2.gz ZUUCEIHBPBPJCE-MBSDFSHPSA-N 1 2 409.555 3.655 20 30 HHEDLO COc1ccc(C2([NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)CCOCC2)cc1F ZINC000444811095 986964370 /nfs/dbraw/zinc/96/43/70/986964370.db2.gz IARBRDWENNYVTM-UHFFFAOYSA-N 1 2 408.433 3.551 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000464582832 988761433 /nfs/dbraw/zinc/76/14/33/988761433.db2.gz ACGVCWCXEPBMIE-SJORKVTESA-N 1 2 417.575 3.931 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000464582832 988761440 /nfs/dbraw/zinc/76/14/40/988761440.db2.gz ACGVCWCXEPBMIE-SJORKVTESA-N 1 2 417.575 3.931 20 30 HHEDLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000464727321 988946012 /nfs/dbraw/zinc/94/60/12/988946012.db2.gz VLHRYPRTFITVDZ-HRAATJIYSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000464727321 988946017 /nfs/dbraw/zinc/94/60/17/988946017.db2.gz VLHRYPRTFITVDZ-HRAATJIYSA-N 1 2 403.461 3.905 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471935460 990100602 /nfs/dbraw/zinc/10/06/02/990100602.db2.gz SAXWMIXYPHNHKO-MJGOQNOKSA-N 1 2 418.904 3.855 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C)n(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471935460 990100607 /nfs/dbraw/zinc/10/06/07/990100607.db2.gz SAXWMIXYPHNHKO-MJGOQNOKSA-N 1 2 418.904 3.855 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000471963156 990128883 /nfs/dbraw/zinc/12/88/83/990128883.db2.gz GXEWMUJHXQXZFX-HKUYNNGSSA-N 1 2 415.444 3.609 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000471963156 990128885 /nfs/dbraw/zinc/12/88/85/990128885.db2.gz GXEWMUJHXQXZFX-HKUYNNGSSA-N 1 2 415.444 3.609 20 30 HHEDLO COc1ccc([C@H](C)CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000466046711 991216997 /nfs/dbraw/zinc/21/69/97/991216997.db2.gz YKDXVUJWPCFDBX-LJQANCHMSA-N 1 2 406.530 3.588 20 30 HHEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000467515344 992793544 /nfs/dbraw/zinc/79/35/44/992793544.db2.gz YOFCQAXPPGBXHY-MRXNPFEDSA-N 1 2 406.349 3.791 20 30 HHEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000467515344 992793554 /nfs/dbraw/zinc/79/35/54/992793554.db2.gz YOFCQAXPPGBXHY-MRXNPFEDSA-N 1 2 406.349 3.791 20 30 HHEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000467781218 993019279 /nfs/dbraw/zinc/01/92/79/993019279.db2.gz BYKMNIBUBZLUCT-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO C=CCC(CC=C)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000467807863 993041707 /nfs/dbraw/zinc/04/17/07/993041707.db2.gz CVDIRDBZNFNXHN-UHFFFAOYSA-N 1 2 408.521 3.932 20 30 HHEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000472092631 993142420 /nfs/dbraw/zinc/14/24/20/993142420.db2.gz DICYBSDJEFFHLM-CTNGQTDRSA-N 1 2 424.907 3.814 20 30 HHEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000472092631 993142426 /nfs/dbraw/zinc/14/24/26/993142426.db2.gz DICYBSDJEFFHLM-CTNGQTDRSA-N 1 2 424.907 3.814 20 30 HHEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3Br)CC2)cc1F ZINC000480761022 993626310 /nfs/dbraw/zinc/62/63/10/993626310.db2.gz JGHMQRQUEUQKHF-UHFFFAOYSA-N 1 2 418.310 3.786 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000481286873 994103372 /nfs/dbraw/zinc/10/33/72/994103372.db2.gz SCYRNGMDYKBTID-PKOBYXMFSA-N 1 2 401.461 3.960 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000481286873 994103378 /nfs/dbraw/zinc/10/33/78/994103378.db2.gz SCYRNGMDYKBTID-PKOBYXMFSA-N 1 2 401.461 3.960 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccccc4Br)CC3)CC2)cc1 ZINC000473480880 994324482 /nfs/dbraw/zinc/32/44/82/994324482.db2.gz HEWXPFBLOAJZQQ-UHFFFAOYSA-N 1 2 424.342 3.697 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)C3(c4ccc(C#N)cc4)CC3)[nH+]c12 ZINC000474167253 995154986 /nfs/dbraw/zinc/15/49/86/995154986.db2.gz BSSSXOOJHPORLX-UHFFFAOYSA-N 1 2 423.314 3.667 20 30 HHEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000474275959 995272585 /nfs/dbraw/zinc/27/25/85/995272585.db2.gz QKNZTUCVGYCSBX-UHFFFAOYSA-N 1 2 408.509 3.923 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)C2 ZINC000474697657 995638851 /nfs/dbraw/zinc/63/88/51/995638851.db2.gz LYVLWXOPHZIWJF-GUYCJALGSA-N 1 2 401.308 3.782 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)CC2 ZINC000474697657 995638854 /nfs/dbraw/zinc/63/88/54/995638854.db2.gz LYVLWXOPHZIWJF-GUYCJALGSA-N 1 2 401.308 3.782 20 30 HHEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000475170512 995968612 /nfs/dbraw/zinc/96/86/12/995968612.db2.gz BWYQNIPFIYMDNC-HSZRJFAPSA-N 1 2 400.494 3.947 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000483271283 996073335 /nfs/dbraw/zinc/07/33/35/996073335.db2.gz RCJJAHRJHNGXGS-LJQANCHMSA-N 1 2 414.509 3.966 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H](c4ccccc4F)C3)CC2)cc1 ZINC000483402209 996153982 /nfs/dbraw/zinc/15/39/82/996153982.db2.gz ZBBUXCJIFKCHAH-NHCUHLMSSA-N 1 2 406.505 3.861 20 30 HHEDLO COc1cc(Br)c(OCC[N@H+](C)C[C@@H](C)C#N)cc1Br ZINC000475527360 996202346 /nfs/dbraw/zinc/20/23/46/996202346.db2.gz HOKBYUDPNQFPDG-JTQLQIEISA-N 1 2 406.118 3.690 20 30 HHEDLO COc1cc(Br)c(OCC[N@@H+](C)C[C@@H](C)C#N)cc1Br ZINC000475527360 996202352 /nfs/dbraw/zinc/20/23/52/996202352.db2.gz HOKBYUDPNQFPDG-JTQLQIEISA-N 1 2 406.118 3.690 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000475587154 996233286 /nfs/dbraw/zinc/23/32/86/996233286.db2.gz VINYFSMCBMTTTH-QFIPXVFZSA-N 1 2 403.592 3.868 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCc3cc(C)ccc3C2)c1C#N ZINC000483996329 996512575 /nfs/dbraw/zinc/51/25/75/996512575.db2.gz UGVFVLKJBZGJJP-UHFFFAOYSA-N 1 2 402.498 3.923 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCc3cc(C)ccc3C2)c1C#N ZINC000483996329 996512581 /nfs/dbraw/zinc/51/25/81/996512581.db2.gz UGVFVLKJBZGJJP-UHFFFAOYSA-N 1 2 402.498 3.923 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)C2 ZINC000476633964 997158089 /nfs/dbraw/zinc/15/80/89/997158089.db2.gz MJYZGQRFGXMRTH-ZDUSSCGKSA-N 1 2 408.893 3.987 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccn(-c3ccc(Cl)cc3C#N)n1)CC2 ZINC000476633964 997158100 /nfs/dbraw/zinc/15/81/00/997158100.db2.gz MJYZGQRFGXMRTH-ZDUSSCGKSA-N 1 2 408.893 3.987 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(F)ccc3OCC3CC3)CC2)cc1 ZINC000485271011 997665492 /nfs/dbraw/zinc/66/54/92/997665492.db2.gz GEONNUZRMWYSAY-UHFFFAOYSA-N 1 2 408.477 3.836 20 30 HHEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC000477166918 997831532 /nfs/dbraw/zinc/83/15/32/997831532.db2.gz MVODMRBXZWRQGM-UHFFFAOYSA-N 1 2 401.869 3.578 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485718141 998187319 /nfs/dbraw/zinc/18/73/19/998187319.db2.gz CWSZFWMKZHGGEP-HJNYFJLDSA-N 1 2 413.468 3.801 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000485718141 998187324 /nfs/dbraw/zinc/18/73/24/998187324.db2.gz CWSZFWMKZHGGEP-HJNYFJLDSA-N 1 2 413.468 3.801 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)sc2c1CCCC2 ZINC000486142039 998590409 /nfs/dbraw/zinc/59/04/09/998590409.db2.gz DRPOUGIKIFSZPN-LJQANCHMSA-N 1 2 411.527 3.606 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)sc2c1CCCC2 ZINC000486142039 998590417 /nfs/dbraw/zinc/59/04/17/998590417.db2.gz DRPOUGIKIFSZPN-LJQANCHMSA-N 1 2 411.527 3.606 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486854322 998974804 /nfs/dbraw/zinc/97/48/04/998974804.db2.gz PUSVVIVGFOVYHC-VGOFRKELSA-N 1 2 419.510 3.662 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486854322 998974809 /nfs/dbraw/zinc/97/48/09/998974809.db2.gz PUSVVIVGFOVYHC-VGOFRKELSA-N 1 2 419.510 3.662 20 30 HHEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)CCC1 ZINC000478708627 999099442 /nfs/dbraw/zinc/09/94/42/999099442.db2.gz DMODXIKPAMALGA-UHFFFAOYSA-N 1 2 408.521 3.910 20 30 HHEDLO C=C(C)C[N@@H+](CC)Cc1nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)n1CCCC ZINC000488609748 999545107 /nfs/dbraw/zinc/54/51/07/999545107.db2.gz LJBCXJBFGUKELR-UHFFFAOYSA-N 1 2 409.534 3.545 20 30 HHEDLO C=C(C)C[N@H+](CC)Cc1nc2c(c(=O)[nH]c(=O)n2Cc2ccccc2)n1CCCC ZINC000488609748 999545109 /nfs/dbraw/zinc/54/51/09/999545109.db2.gz LJBCXJBFGUKELR-UHFFFAOYSA-N 1 2 409.534 3.545 20 30 HHEDLO C=CC[NH+]1CCC(N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CC1 ZINC000491042949 1000038761 /nfs/dbraw/zinc/03/87/61/1000038761.db2.gz YRFRJGRJFMRTRI-JOCHJYFZSA-N 1 2 420.525 3.698 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000492557147 1000132437 /nfs/dbraw/zinc/13/24/37/1000132437.db2.gz HPNINTOODZDZJK-JTSKRJEESA-N 1 2 408.933 3.696 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1C(F)(F)F ZINC000494537700 1000544136 /nfs/dbraw/zinc/54/41/36/1000544136.db2.gz SBZAFMOEYBDUOE-UHFFFAOYSA-N 1 2 409.311 3.730 20 30 HHEDLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC[NH2+]1 ZINC000505523109 1000867029 /nfs/dbraw/zinc/86/70/29/1000867029.db2.gz GWCLWMRKWNLTNY-HXUWFJFHSA-N 1 2 417.465 3.526 20 30 HHEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505933333 1001110359 /nfs/dbraw/zinc/11/03/59/1001110359.db2.gz HYPPOCPDBCPHLK-MOPGFXCFSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505933333 1001110365 /nfs/dbraw/zinc/11/03/65/1001110365.db2.gz HYPPOCPDBCPHLK-MOPGFXCFSA-N 1 2 404.297 3.575 20 30 HHEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000506052261 1001193326 /nfs/dbraw/zinc/19/33/26/1001193326.db2.gz RSBJXUXHGMQUBW-CQSZACIVSA-N 1 2 413.440 3.683 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000497407319 1001343112 /nfs/dbraw/zinc/34/31/12/1001343112.db2.gz LJOZYDZPBIRVDO-KRWDZBQOSA-N 1 2 403.592 3.778 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000497407319 1001343115 /nfs/dbraw/zinc/34/31/15/1001343115.db2.gz LJOZYDZPBIRVDO-KRWDZBQOSA-N 1 2 403.592 3.778 20 30 HHEDLO Cc1[nH]c2ccc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2[nH+]1 ZINC000506497257 1001440294 /nfs/dbraw/zinc/44/02/94/1001440294.db2.gz XGBACIAPDWVQSW-UHFFFAOYSA-N 1 2 416.441 3.846 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507081853 1001796477 /nfs/dbraw/zinc/79/64/77/1001796477.db2.gz BQJRNAONFZUEFJ-MDKPJZGXSA-N 1 2 423.916 3.602 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507081853 1001796482 /nfs/dbraw/zinc/79/64/82/1001796482.db2.gz BQJRNAONFZUEFJ-MDKPJZGXSA-N 1 2 423.916 3.602 20 30 HHEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000507116400 1001818267 /nfs/dbraw/zinc/81/82/67/1001818267.db2.gz QBOZNQRXTQLUKG-NRFANRHFSA-N 1 2 424.451 3.615 20 30 HHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1 ZINC000507151365 1001841293 /nfs/dbraw/zinc/84/12/93/1001841293.db2.gz DVYXVTIHKCJVFJ-UHFFFAOYSA-N 1 2 411.933 3.909 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000507861457 1002397948 /nfs/dbraw/zinc/39/79/48/1002397948.db2.gz QIWDWXRAFLTBCI-UHFFFAOYSA-N 1 2 405.414 3.560 20 30 HHEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000507871511 1002405231 /nfs/dbraw/zinc/40/52/31/1002405231.db2.gz WEJSHNDYOFVRHV-HNNXBMFYSA-N 1 2 408.456 3.515 20 30 HHEDLO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508490374 1002973036 /nfs/dbraw/zinc/97/30/36/1002973036.db2.gz QFIIZUSDJKXCGQ-UHFFFAOYSA-N 1 2 406.559 3.786 20 30 HHEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000508492422 1002975176 /nfs/dbraw/zinc/97/51/76/1002975176.db2.gz JNIOSKCUWBBOFR-UHFFFAOYSA-N 1 2 424.936 3.510 20 30 HHEDLO N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccccc1 ZINC000508704035 1003140748 /nfs/dbraw/zinc/14/07/48/1003140748.db2.gz PCWFCOWWFWAJNB-QFIPXVFZSA-N 1 2 419.529 3.609 20 30 HHEDLO N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1)c1ccccc1 ZINC000508704035 1003140760 /nfs/dbraw/zinc/14/07/60/1003140760.db2.gz PCWFCOWWFWAJNB-QFIPXVFZSA-N 1 2 419.529 3.609 20 30 HHEDLO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508840861 1003261828 /nfs/dbraw/zinc/26/18/28/1003261828.db2.gz NLEAETYFGRHVCD-UHFFFAOYSA-N 1 2 411.513 3.709 20 30 HHEDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000499948484 1003270799 /nfs/dbraw/zinc/27/07/99/1003270799.db2.gz BKAUVMLEEOHPLJ-BMIGLBTASA-N 1 2 407.898 3.551 20 30 HHEDLO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000508859520 1003279881 /nfs/dbraw/zinc/27/98/81/1003279881.db2.gz WCEHTJOPYLHKDL-WOJBJXKFSA-N 1 2 417.504 3.867 20 30 HHEDLO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508907807 1003346886 /nfs/dbraw/zinc/34/68/86/1003346886.db2.gz OYAXRVSSXPCITP-UHFFFAOYSA-N 1 2 410.525 3.930 20 30 HHEDLO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000509014475 1003486602 /nfs/dbraw/zinc/48/66/02/1003486602.db2.gz XJALLTDDOMSQJY-OXQOHEQNSA-N 1 2 417.504 3.520 20 30 HHEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000500873606 1004019633 /nfs/dbraw/zinc/01/96/33/1004019633.db2.gz DILCQMPBPRHQLW-QHCPKHFHSA-N 1 2 406.507 3.850 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(COc4cccc(C#N)c4)c3)n2)C1 ZINC000500897426 1004036996 /nfs/dbraw/zinc/03/69/96/1004036996.db2.gz SLLUJFLWJLIMNR-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(COc4cccc(C#N)c4)c3)n2)C1 ZINC000500897426 1004037003 /nfs/dbraw/zinc/03/70/03/1004037003.db2.gz SLLUJFLWJLIMNR-NRFANRHFSA-N 1 2 404.470 3.969 20 30 HHEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000512433312 1004298829 /nfs/dbraw/zinc/29/88/29/1004298829.db2.gz KWYJAJRLARLPQB-LJQANCHMSA-N 1 2 415.291 3.740 20 30 HHEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)c(C#N)c1C ZINC000501416084 1004405717 /nfs/dbraw/zinc/40/57/17/1004405717.db2.gz GSBPFXDQXCLAMW-INIZCTEOSA-N 1 2 422.348 3.603 20 30 HHEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)c(C#N)c1C ZINC000501416084 1004405720 /nfs/dbraw/zinc/40/57/20/1004405720.db2.gz GSBPFXDQXCLAMW-INIZCTEOSA-N 1 2 422.348 3.603 20 30 HHEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000510433974 1004563921 /nfs/dbraw/zinc/56/39/21/1004563921.db2.gz AAVRCQZFTDFLQF-GOSISDBHSA-N 1 2 415.902 3.614 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(F)c(Cl)c3)CC2)c(F)c1 ZINC000512830124 1004587820 /nfs/dbraw/zinc/58/78/20/1004587820.db2.gz ZEZQSZYOQXGTCP-UHFFFAOYSA-N 1 2 405.832 3.972 20 30 HHEDLO COc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)n2)cc1 ZINC000512829745 1004588201 /nfs/dbraw/zinc/58/82/01/1004588201.db2.gz XBUPJDZCVIXFDM-UHFFFAOYSA-N 1 2 408.433 3.799 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000510505683 1004627952 /nfs/dbraw/zinc/62/79/52/1004627952.db2.gz IODKLVMVQQSQKU-UHFFFAOYSA-N 1 2 419.529 3.818 20 30 HHEDLO CC(C)(C#N)CNC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000512893049 1004659482 /nfs/dbraw/zinc/65/94/82/1004659482.db2.gz ADOJXKOCDROSDF-UHFFFAOYSA-N 1 2 420.557 3.670 20 30 HHEDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000501860372 1004782281 /nfs/dbraw/zinc/78/22/81/1004782281.db2.gz QIMPKVKXASDNCL-IMWIBFENSA-N 1 2 418.541 3.791 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)c2c(F)cncc2F)c1C#N ZINC000513275119 1004891188 /nfs/dbraw/zinc/89/11/88/1004891188.db2.gz AWXOBZAAKAQSIU-CYBMUJFWSA-N 1 2 413.428 3.580 20 30 HHEDLO COc1ccccc1CN1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000513378017 1004933912 /nfs/dbraw/zinc/93/39/12/1004933912.db2.gz YGLKQDNHWDMJDV-UHFFFAOYSA-N 1 2 409.530 3.704 20 30 HHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccnn3Cc3cccs3)CC2)cc1 ZINC000502529745 1005104746 /nfs/dbraw/zinc/10/47/46/1005104746.db2.gz ILQKWGBNRFQRLS-UHFFFAOYSA-N 1 2 403.511 3.592 20 30 HHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccnn3Cc3cccs3)CC2)cc1 ZINC000502529745 1005104749 /nfs/dbraw/zinc/10/47/49/1005104749.db2.gz ILQKWGBNRFQRLS-UHFFFAOYSA-N 1 2 403.511 3.592 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC000513789872 1005128425 /nfs/dbraw/zinc/12/84/25/1005128425.db2.gz OODUIOPLSLIDFW-GOSISDBHSA-N 1 2 418.946 3.776 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)c1 ZINC000513789872 1005128431 /nfs/dbraw/zinc/12/84/31/1005128431.db2.gz OODUIOPLSLIDFW-GOSISDBHSA-N 1 2 418.946 3.776 20 30 HHEDLO CC(C)(CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[NH+]1CCOCC1 ZINC000511436530 1005175408 /nfs/dbraw/zinc/17/54/08/1005175408.db2.gz GGLGMKSRABRLDY-UHFFFAOYSA-N 1 2 422.529 3.564 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511574226 1005230336 /nfs/dbraw/zinc/23/03/36/1005230336.db2.gz PCVJSOYCUWKFHJ-VQTJNVASSA-N 1 2 403.860 3.714 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511574226 1005230339 /nfs/dbraw/zinc/23/03/39/1005230339.db2.gz PCVJSOYCUWKFHJ-VQTJNVASSA-N 1 2 403.860 3.714 20 30 HHEDLO N#Cc1cccc(F)c1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511764132 1005312804 /nfs/dbraw/zinc/31/28/04/1005312804.db2.gz CJWMLUACANEUMA-KRWDZBQOSA-N 1 2 403.860 3.813 20 30 HHEDLO N#Cc1cccc(F)c1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511764132 1005312809 /nfs/dbraw/zinc/31/28/09/1005312809.db2.gz CJWMLUACANEUMA-KRWDZBQOSA-N 1 2 403.860 3.813 20 30 HHEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511764133 1005312985 /nfs/dbraw/zinc/31/29/85/1005312985.db2.gz CJWMLUACANEUMA-QGZVFWFLSA-N 1 2 403.860 3.813 20 30 HHEDLO N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000511764133 1005312989 /nfs/dbraw/zinc/31/29/89/1005312989.db2.gz CJWMLUACANEUMA-QGZVFWFLSA-N 1 2 403.860 3.813 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)no1 ZINC000503309021 1005387890 /nfs/dbraw/zinc/38/78/90/1005387890.db2.gz ISEKXWYMKOTGSQ-KRWDZBQOSA-N 1 2 423.542 3.900 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)no1 ZINC000503309021 1005387892 /nfs/dbraw/zinc/38/78/92/1005387892.db2.gz ISEKXWYMKOTGSQ-KRWDZBQOSA-N 1 2 423.542 3.900 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)no1 ZINC000503309022 1005387921 /nfs/dbraw/zinc/38/79/21/1005387921.db2.gz ISEKXWYMKOTGSQ-QGZVFWFLSA-N 1 2 423.542 3.900 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3sc4ccc(C#N)cc4c3C)CC2)no1 ZINC000503309022 1005387923 /nfs/dbraw/zinc/38/79/23/1005387923.db2.gz ISEKXWYMKOTGSQ-QGZVFWFLSA-N 1 2 423.542 3.900 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000503969286 1005522477 /nfs/dbraw/zinc/52/24/77/1005522477.db2.gz LFZYMGJSIUINJD-FQEVSTJZSA-N 1 2 410.518 3.762 20 30 HHEDLO C=CCNC(=O)c1cccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)c1 ZINC000515016636 1006251272 /nfs/dbraw/zinc/25/12/72/1006251272.db2.gz OFOQFRFZZAVBLP-HXUWFJFHSA-N 1 2 420.538 3.791 20 30 HHEDLO N#Cc1ccccc1N1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000534599520 1006581058 /nfs/dbraw/zinc/58/10/58/1006581058.db2.gz HQQNWHYBVQWHPA-UHFFFAOYSA-N 1 2 424.508 3.828 20 30 HHEDLO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2C#N)cc1 ZINC000516103336 1006884624 /nfs/dbraw/zinc/88/46/24/1006884624.db2.gz JGPGWDDEQGNZLX-ZDUSSCGKSA-N 1 2 407.333 3.965 20 30 HHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664252 1006943048 /nfs/dbraw/zinc/94/30/48/1006943048.db2.gz OIMJRYRUIYGMFK-VQIMIIECSA-N 1 2 406.534 3.931 20 30 HHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664252 1006943059 /nfs/dbraw/zinc/94/30/59/1006943059.db2.gz OIMJRYRUIYGMFK-VQIMIIECSA-N 1 2 406.534 3.931 20 30 HHEDLO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C#N)cc4F)CC3)cc2NC1=O ZINC000532689217 1007103271 /nfs/dbraw/zinc/10/32/71/1007103271.db2.gz PYWKXHWIWMPENZ-CQSZACIVSA-N 1 2 407.445 3.512 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532761895 1007167357 /nfs/dbraw/zinc/16/73/57/1007167357.db2.gz KBRWLBZLEIUNTJ-INIZCTEOSA-N 1 2 411.527 3.923 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532761895 1007167361 /nfs/dbraw/zinc/16/73/61/1007167361.db2.gz KBRWLBZLEIUNTJ-INIZCTEOSA-N 1 2 411.527 3.923 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000532764317 1007169573 /nfs/dbraw/zinc/16/95/73/1007169573.db2.gz XREXMRKMPXECMG-MRXNPFEDSA-N 1 2 412.559 3.626 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000532773403 1007174558 /nfs/dbraw/zinc/17/45/58/1007174558.db2.gz JTLWFGOEUBQWGB-DLBZAZTESA-N 1 2 411.527 3.649 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000532773403 1007174565 /nfs/dbraw/zinc/17/45/65/1007174565.db2.gz JTLWFGOEUBQWGB-DLBZAZTESA-N 1 2 411.527 3.649 20 30 HHEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c2ccccc21 ZINC000532960395 1007328874 /nfs/dbraw/zinc/32/88/74/1007328874.db2.gz ZPTNSWGBBHHLKH-UHFFFAOYSA-N 1 2 420.557 3.899 20 30 HHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(c2ccccc2F)CC1 ZINC000532980756 1007351806 /nfs/dbraw/zinc/35/18/06/1007351806.db2.gz SSIIKTGPMZTJSU-UHFFFAOYSA-N 1 2 403.461 3.701 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539117961 1007406881 /nfs/dbraw/zinc/40/68/81/1007406881.db2.gz QBKXXJJZQITASO-WOJBJXKFSA-N 1 2 421.925 3.606 20 30 HHEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539117961 1007406891 /nfs/dbraw/zinc/40/68/91/1007406891.db2.gz QBKXXJJZQITASO-WOJBJXKFSA-N 1 2 421.925 3.606 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000533293369 1007608563 /nfs/dbraw/zinc/60/85/63/1007608563.db2.gz RSBNAHBCMYDTHY-RTBURBONSA-N 1 2 423.586 3.651 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](Cc3csc(-c4ccc(C(N)=O)cc4)n3)CC2)c1 ZINC000533424707 1007732354 /nfs/dbraw/zinc/73/23/54/1007732354.db2.gz SODYSBLQMFGZNU-UHFFFAOYSA-N 1 2 418.522 3.824 20 30 HHEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1-c1cccc(F)c1 ZINC000539563754 1007879007 /nfs/dbraw/zinc/87/90/07/1007879007.db2.gz IXNSVCMTUXSJLZ-UHFFFAOYSA-N 1 2 418.476 3.541 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886991 1007906553 /nfs/dbraw/zinc/90/65/53/1007906553.db2.gz BEZVFRDRIFIHEQ-YHJVDBJQSA-N 1 2 401.869 3.680 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535886991 1007906558 /nfs/dbraw/zinc/90/65/58/1007906558.db2.gz BEZVFRDRIFIHEQ-YHJVDBJQSA-N 1 2 401.869 3.680 20 30 HHEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1C#N ZINC000535965652 1008001338 /nfs/dbraw/zinc/00/13/38/1008001338.db2.gz BTKUISFOQFLASU-LJQANCHMSA-N 1 2 406.486 3.521 20 30 HHEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1C#N ZINC000535965652 1008001346 /nfs/dbraw/zinc/00/13/46/1008001346.db2.gz BTKUISFOQFLASU-LJQANCHMSA-N 1 2 406.486 3.521 20 30 HHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000539718071 1008036389 /nfs/dbraw/zinc/03/63/89/1008036389.db2.gz DJTOIDKGUQWGRN-DYESRHJHSA-N 1 2 423.565 3.573 20 30 HHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000539718071 1008036425 /nfs/dbraw/zinc/03/64/25/1008036425.db2.gz DJTOIDKGUQWGRN-DYESRHJHSA-N 1 2 423.565 3.573 20 30 HHEDLO CCOc1cc(C[N@H+](C)Cc2cccc(C(=O)OC)c2C#N)ccc1OC(F)F ZINC000533776248 1008101264 /nfs/dbraw/zinc/10/12/64/1008101264.db2.gz RPWLWXWDEJBARH-UHFFFAOYSA-N 1 2 404.413 3.977 20 30 HHEDLO CCOc1cc(C[N@@H+](C)Cc2cccc(C(=O)OC)c2C#N)ccc1OC(F)F ZINC000533776248 1008101268 /nfs/dbraw/zinc/10/12/68/1008101268.db2.gz RPWLWXWDEJBARH-UHFFFAOYSA-N 1 2 404.413 3.977 20 30 HHEDLO N#CC1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCOCC1 ZINC000518791422 1008422076 /nfs/dbraw/zinc/42/20/76/1008422076.db2.gz RCIZHDRRWQXJID-UHFFFAOYSA-N 1 2 400.482 3.535 20 30 HHEDLO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c1OCc1ccccc1F ZINC000549171876 1008745571 /nfs/dbraw/zinc/74/55/71/1008745571.db2.gz KMQASOAFESNAKW-KRWDZBQOSA-N 1 2 413.493 3.606 20 30 HHEDLO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c1OCc1ccccc1F ZINC000549171876 1008745586 /nfs/dbraw/zinc/74/55/86/1008745586.db2.gz KMQASOAFESNAKW-KRWDZBQOSA-N 1 2 413.493 3.606 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543352518 1008939430 /nfs/dbraw/zinc/93/94/30/1008939430.db2.gz WFZPVDVOGPKAQU-UHFFFAOYSA-N 1 2 411.506 3.504 20 30 HHEDLO COc1cccc([C@H]2[C@H](NCc3nnc(-c4cccc(C#N)c4)o3)CC[N@@H+]2C2CC2)c1 ZINC000549470846 1009064341 /nfs/dbraw/zinc/06/43/41/1009064341.db2.gz DXDNPHPLGYBAPV-GGAORHGYSA-N 1 2 415.497 3.684 20 30 HHEDLO COc1cccc([C@H]2[C@H](NCc3nnc(-c4cccc(C#N)c4)o3)CC[N@H+]2C2CC2)c1 ZINC000549470846 1009064344 /nfs/dbraw/zinc/06/43/44/1009064344.db2.gz DXDNPHPLGYBAPV-GGAORHGYSA-N 1 2 415.497 3.684 20 30 HHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2)c1 ZINC000543541720 1009134733 /nfs/dbraw/zinc/13/47/33/1009134733.db2.gz JWFXAUGHZIZXCO-SJORKVTESA-N 1 2 419.485 3.731 20 30 HHEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000543549204 1009150418 /nfs/dbraw/zinc/15/04/18/1009150418.db2.gz OBSGMTOYYPHCKP-MRXNPFEDSA-N 1 2 408.893 3.518 20 30 HHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc1C ZINC000543549687 1009151720 /nfs/dbraw/zinc/15/17/20/1009151720.db2.gz VJBFIYCFVIMKIB-NEPJUHHUSA-N 1 2 420.922 3.831 20 30 HHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000520726509 1009794499 /nfs/dbraw/zinc/79/44/99/1009794499.db2.gz UFWLQNDFWNJLIS-UHFFFAOYSA-N 1 2 402.429 3.847 20 30 HHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000550598294 1010055634 /nfs/dbraw/zinc/05/56/34/1010055634.db2.gz AFCIXCKSZMQMRP-LHSJRXKWSA-N 1 2 422.916 3.987 20 30 HHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccco1 ZINC000544449761 1010072178 /nfs/dbraw/zinc/07/21/78/1010072178.db2.gz RXAKQHJICNKACC-LJQANCHMSA-N 1 2 410.449 3.614 20 30 HHEDLO C[C@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000544484069 1010108371 /nfs/dbraw/zinc/10/83/71/1010108371.db2.gz XQJGETWLRPJTOG-KBPBESRZSA-N 1 2 408.531 3.609 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3coc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000521449926 1010380412 /nfs/dbraw/zinc/38/04/12/1010380412.db2.gz VIDQBXAMOHYHLI-UHFFFAOYSA-N 1 2 420.900 3.754 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000548615424 1010683526 /nfs/dbraw/zinc/68/35/26/1010683526.db2.gz YUCWSCLTEOPGQL-RTBURBONSA-N 1 2 404.297 3.667 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000548615424 1010683530 /nfs/dbraw/zinc/68/35/30/1010683530.db2.gz YUCWSCLTEOPGQL-RTBURBONSA-N 1 2 404.297 3.667 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548864903 1010747708 /nfs/dbraw/zinc/74/77/08/1010747708.db2.gz PMOVIZNSJVYPSN-HNNXBMFYSA-N 1 2 418.419 3.865 20 30 HHEDLO C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1c(F)cccc1Cl ZINC000540592693 1011250295 /nfs/dbraw/zinc/25/02/95/1011250295.db2.gz QXMQCSQTZGHQEZ-PBHICJAKSA-N 1 2 420.941 3.600 20 30 HHEDLO Cc1cc(N2CCN(C(=O)CS[C@@H](C)c3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000522841029 1011278004 /nfs/dbraw/zinc/27/80/04/1011278004.db2.gz IHVDRRMNMNCRIR-SFHVURJKSA-N 1 2 423.586 3.923 20 30 HHEDLO C=CCN1CC[C@@H](Sc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)C1=O ZINC000540768420 1011424694 /nfs/dbraw/zinc/42/46/94/1011424694.db2.gz IHOVZYPBSLDNRE-PKOBYXMFSA-N 1 2 411.575 3.693 20 30 HHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccco1 ZINC000541630109 1012443110 /nfs/dbraw/zinc/44/31/10/1012443110.db2.gz VYFUFINOMHNGPT-IBGZPJMESA-N 1 2 410.449 3.614 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000541683204 1012519264 /nfs/dbraw/zinc/51/92/64/1012519264.db2.gz JJYCYZYFXIOYFA-IAGOWNOFSA-N 1 2 420.542 3.808 20 30 HHEDLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)ccc2NC1=O ZINC000537155719 1012552116 /nfs/dbraw/zinc/55/21/16/1012552116.db2.gz ADLCSAHLUPLCRT-FZKQIMNGSA-N 1 2 403.442 3.569 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](CCO)c1ccccc1Br ZINC000541953948 1012816309 /nfs/dbraw/zinc/81/63/09/1012816309.db2.gz YCOWUSCIQZCDSE-MRXNPFEDSA-N 1 2 422.710 3.626 20 30 HHEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000552922021 1012921912 /nfs/dbraw/zinc/92/19/12/1012921912.db2.gz OGIMZDVUNUHWEL-UHFFFAOYSA-N 1 2 416.525 3.639 20 30 HHEDLO N#Cc1cc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1OC(F)(F)F ZINC001671272490 1071771271 /nfs/dbraw/zinc/77/12/71/1071771271.db2.gz QKTFTNTXFXAZIG-UHFFFAOYSA-N 1 2 405.380 3.960 20 30 HHEDLO CN(C)C(=O)c1cccc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000729673889 1071789948 /nfs/dbraw/zinc/78/99/48/1071789948.db2.gz BBVCVZWODIXSNH-UHFFFAOYSA-N 1 2 403.482 3.805 20 30 HHEDLO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Oc4cccc(C#N)c4)CC3)C2=O)cc1Cl ZINC000729679530 1071796695 /nfs/dbraw/zinc/79/66/95/1071796695.db2.gz RDZLQSPNUPFOOM-OAQYLSRUSA-N 1 2 423.900 3.695 20 30 HHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614924489 1071987201 /nfs/dbraw/zinc/98/72/01/1071987201.db2.gz JUYKSBJAMQDOMK-YLJYHZDGSA-N 1 2 411.468 3.982 20 30 HHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614924489 1071987204 /nfs/dbraw/zinc/98/72/04/1071987204.db2.gz JUYKSBJAMQDOMK-YLJYHZDGSA-N 1 2 411.468 3.982 20 30 HHEDLO N#Cc1ccc(N2CCC(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)CC2)c(F)c1 ZINC000586806375 1072429305 /nfs/dbraw/zinc/42/93/05/1072429305.db2.gz NEAAPXMNYLFJDE-UHFFFAOYSA-N 1 2 423.536 3.829 20 30 HHEDLO CC1(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587169424 1072517481 /nfs/dbraw/zinc/51/74/81/1072517481.db2.gz SCTDYQPABXTSKR-IBGZPJMESA-N 1 2 411.937 3.878 20 30 HHEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)CC1 ZINC000590158203 1073600203 /nfs/dbraw/zinc/60/02/03/1073600203.db2.gz GHHSOLZQUJLNTC-UHFFFAOYSA-N 1 2 410.499 3.661 20 30 HHEDLO CC(C)C[C@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000590615116 1073942167 /nfs/dbraw/zinc/94/21/67/1073942167.db2.gz QWYZHVWHTREIME-VWLOTQADSA-N 1 2 418.585 3.970 20 30 HHEDLO CC(C)C[C@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000590615116 1073942173 /nfs/dbraw/zinc/94/21/73/1073942173.db2.gz QWYZHVWHTREIME-VWLOTQADSA-N 1 2 418.585 3.970 20 30 HHEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)c1C#N ZINC000574527043 1075283583 /nfs/dbraw/zinc/28/35/83/1075283583.db2.gz NBXMYCDOKXMMFL-UHFFFAOYSA-N 1 2 405.527 3.619 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213549 1075544503 /nfs/dbraw/zinc/54/45/03/1075544503.db2.gz VLRVYFHUZQQBNI-QGZVFWFLSA-N 1 2 401.474 3.770 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213549 1075544505 /nfs/dbraw/zinc/54/45/05/1075544505.db2.gz VLRVYFHUZQQBNI-QGZVFWFLSA-N 1 2 401.474 3.770 20 30 HHEDLO N#Cc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301364127 970887902 /nfs/dbraw/zinc/88/79/02/970887902.db2.gz RKMUJZXSCGHRAA-GOSISDBHSA-N 1 2 409.471 3.562 20 30 HHEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302158930 971190910 /nfs/dbraw/zinc/19/09/10/971190910.db2.gz JILXNUXSFHHJCN-OAHLLOKOSA-N 1 2 410.319 3.852 20 30 HHEDLO Cc1nc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c(C)c(C)[nH+]1 ZINC000302209237 971207907 /nfs/dbraw/zinc/20/79/07/971207907.db2.gz YEGDQPHVBVOMLF-SFHVURJKSA-N 1 2 400.324 3.551 20 30 HHEDLO N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000302761490 971307777 /nfs/dbraw/zinc/30/77/77/971307777.db2.gz XHZWHUVLGZFYDS-UHFFFAOYSA-N 1 2 404.371 3.924 20 30 HHEDLO COc1cc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)ccc1OCC(F)(F)F ZINC000537624486 1013172346 /nfs/dbraw/zinc/17/23/46/1013172346.db2.gz OICBHKXYYXNVBX-UHFFFAOYSA-N 1 2 418.353 3.654 20 30 HHEDLO C=CCn1c2nn(C[N@@H+](C)[C@H]3CCc4ccccc43)c(=S)n2c2ccccc2c1=O ZINC000022758001 963709765 /nfs/dbraw/zinc/70/97/65/963709765.db2.gz JBSZTGRUNBIYFU-IBGZPJMESA-N 1 2 417.538 3.943 20 30 HHEDLO C=CCn1c2nn(C[N@H+](C)[C@H]3CCc4ccccc43)c(=S)n2c2ccccc2c1=O ZINC000022758001 963709769 /nfs/dbraw/zinc/70/97/69/963709769.db2.gz JBSZTGRUNBIYFU-IBGZPJMESA-N 1 2 417.538 3.943 20 30 HHEDLO N#Cc1c(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)sc2c1CCCCC2 ZINC000023375760 963811887 /nfs/dbraw/zinc/81/18/87/963811887.db2.gz DWJQESDAUPCWAG-UHFFFAOYSA-N 1 2 414.600 3.706 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCC(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000023451315 963828640 /nfs/dbraw/zinc/82/86/40/963828640.db2.gz SBWHRRHPFIFJNL-UHFFFAOYSA-N 1 2 415.537 3.744 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCC(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000023451315 963828646 /nfs/dbraw/zinc/82/86/46/963828646.db2.gz SBWHRRHPFIFJNL-UHFFFAOYSA-N 1 2 415.537 3.744 20 30 HHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000024050880 963931661 /nfs/dbraw/zinc/93/16/61/963931661.db2.gz HVUMHHPBJUSPEL-UHFFFAOYSA-N 1 2 414.579 3.673 20 30 HHEDLO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000050997411 964439101 /nfs/dbraw/zinc/43/91/01/964439101.db2.gz SJHKMXRPNVLDJM-OAHLLOKOSA-N 1 2 404.511 3.775 20 30 HHEDLO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000050997411 964439105 /nfs/dbraw/zinc/43/91/05/964439105.db2.gz SJHKMXRPNVLDJM-OAHLLOKOSA-N 1 2 404.511 3.775 20 30 HHEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC(F)F ZINC000026453677 964570451 /nfs/dbraw/zinc/57/04/51/964570451.db2.gz PRZHUARUYLZIMP-LBPRGKRZSA-N 1 2 407.417 3.837 20 30 HHEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC(F)F ZINC000026453677 964570463 /nfs/dbraw/zinc/57/04/63/964570463.db2.gz PRZHUARUYLZIMP-LBPRGKRZSA-N 1 2 407.417 3.837 20 30 HHEDLO O=C(C[NH+]1CCC(c2ccc(O)cc2)CC1)Nc1nc(CN2CCCC2)cs1 ZINC000052468052 964915130 /nfs/dbraw/zinc/91/51/30/964915130.db2.gz GRBXOLLYWITKKT-UHFFFAOYSA-N 1 2 400.548 3.912 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000553694340 1013552086 /nfs/dbraw/zinc/55/20/86/1013552086.db2.gz FUPQJKCAWXPFJC-SFTDATJTSA-N 1 2 401.457 3.774 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000553694340 1013552090 /nfs/dbraw/zinc/55/20/90/1013552090.db2.gz FUPQJKCAWXPFJC-SFTDATJTSA-N 1 2 401.457 3.774 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000054392586 965501102 /nfs/dbraw/zinc/50/11/02/965501102.db2.gz OUCSMLDTXSZASM-IBGZPJMESA-N 1 2 418.541 3.955 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000054392586 965501113 /nfs/dbraw/zinc/50/11/13/965501113.db2.gz OUCSMLDTXSZASM-IBGZPJMESA-N 1 2 418.541 3.955 20 30 HHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000060356148 966107801 /nfs/dbraw/zinc/10/78/01/966107801.db2.gz JZQTTWCERHHHKZ-UHFFFAOYSA-N 1 2 411.527 3.502 20 30 HHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000060356148 966107805 /nfs/dbraw/zinc/10/78/05/966107805.db2.gz JZQTTWCERHHHKZ-UHFFFAOYSA-N 1 2 411.527 3.502 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054302 1013629166 /nfs/dbraw/zinc/62/91/66/1013629166.db2.gz PZJLXBLGAADEBC-VQTJNVASSA-N 1 2 400.885 3.985 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054302 1013629172 /nfs/dbraw/zinc/62/91/72/1013629172.db2.gz PZJLXBLGAADEBC-VQTJNVASSA-N 1 2 400.885 3.985 20 30 HHEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000060482734 966165465 /nfs/dbraw/zinc/16/54/65/966165465.db2.gz QKNLLFKOHAEISE-NRFANRHFSA-N 1 2 407.901 3.912 20 30 HHEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000041556117 966593928 /nfs/dbraw/zinc/59/39/28/966593928.db2.gz VYGZJKGGRULXJE-CYBMUJFWSA-N 1 2 401.304 3.684 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1ccc(C#N)cc1 ZINC000063754314 966947219 /nfs/dbraw/zinc/94/72/19/966947219.db2.gz DCGPASVCWCUOAA-UHFFFAOYSA-N 1 2 416.319 3.716 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1ccc(C)cc1Br)Cc1ccc(C#N)cc1 ZINC000063754314 966947227 /nfs/dbraw/zinc/94/72/27/966947227.db2.gz DCGPASVCWCUOAA-UHFFFAOYSA-N 1 2 416.319 3.716 20 30 HHEDLO COc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)cc1Cl ZINC000043449629 966972656 /nfs/dbraw/zinc/97/26/56/966972656.db2.gz GYHGNDDRFQCMFJ-UHFFFAOYSA-N 1 2 414.893 3.579 20 30 HHEDLO CSc1nc(C2CC2)cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1C#N ZINC000044231937 967170468 /nfs/dbraw/zinc/17/04/68/967170468.db2.gz LSEYEQUWVICBEL-UHFFFAOYSA-N 1 2 417.538 3.770 20 30 HHEDLO COc1cccc(C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]2CCCO2)c1 ZINC000064400545 967172540 /nfs/dbraw/zinc/17/25/40/967172540.db2.gz POXNPZCDYRCKLO-FQEVSTJZSA-N 1 2 413.905 3.840 20 30 HHEDLO COc1cccc(C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]2CCCO2)c1 ZINC000064400545 967172550 /nfs/dbraw/zinc/17/25/50/967172550.db2.gz POXNPZCDYRCKLO-FQEVSTJZSA-N 1 2 413.905 3.840 20 30 HHEDLO C=CCc1cc(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000065290351 967429779 /nfs/dbraw/zinc/42/97/79/967429779.db2.gz SQAQHXRJQSVZTL-UHFFFAOYSA-N 1 2 420.513 3.677 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)o2)cc1 ZINC000542945773 1013778849 /nfs/dbraw/zinc/77/88/49/1013778849.db2.gz VBNDFLHNFZXSNO-OAHLLOKOSA-N 1 2 402.380 3.661 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)o2)cc1 ZINC000542945773 1013778855 /nfs/dbraw/zinc/77/88/55/1013778855.db2.gz VBNDFLHNFZXSNO-OAHLLOKOSA-N 1 2 402.380 3.661 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048426443 968551247 /nfs/dbraw/zinc/55/12/47/968551247.db2.gz OPSKMLCAYJZRNS-UHFFFAOYSA-N 1 2 402.420 3.552 20 30 HHEDLO C=CCn1c2ccccc2nc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000071803050 968857042 /nfs/dbraw/zinc/85/70/42/968857042.db2.gz GPRBFEONNCUJDA-UHFFFAOYSA-N 1 2 412.584 3.720 20 30 HHEDLO CSc1ccc(NC(=O)CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)cc1 ZINC000110178929 969633517 /nfs/dbraw/zinc/63/35/17/969633517.db2.gz NYPMKSKUYWXDSI-UHFFFAOYSA-N 1 2 423.542 3.546 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1cccc(C#N)c1 ZINC000112691517 969825233 /nfs/dbraw/zinc/82/52/33/969825233.db2.gz KIUMZMSCNAZRCS-UHFFFAOYSA-N 1 2 403.461 3.818 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1cccc(C#N)c1 ZINC000112691517 969825240 /nfs/dbraw/zinc/82/52/40/969825240.db2.gz KIUMZMSCNAZRCS-UHFFFAOYSA-N 1 2 403.461 3.818 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000195661864 969940531 /nfs/dbraw/zinc/94/05/31/969940531.db2.gz CYCIZAJYTBHISJ-OAQYLSRUSA-N 1 2 411.596 3.698 20 30 HHEDLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)CC2)cc1 ZINC000142079011 970141084 /nfs/dbraw/zinc/14/10/84/970141084.db2.gz ZSEJGPOOEJSMAG-INIZCTEOSA-N 1 2 406.486 3.510 20 30 HHEDLO C[C@H](c1nnc(Sc2ccc([N+](=O)[O-])cc2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301112137 970753960 /nfs/dbraw/zinc/75/39/60/970753960.db2.gz XERKAOUBYNWQLH-GFCCVEGCSA-N 1 2 412.450 3.960 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426143539 974263021 /nfs/dbraw/zinc/26/30/21/974263021.db2.gz NUTKNLKCEFVTCP-QGZVFWFLSA-N 1 2 412.921 3.966 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@H](O)[C@@H](C)C3)sc2C1 ZINC000426161950 974275148 /nfs/dbraw/zinc/27/51/48/974275148.db2.gz PJOFJXIAOVTFGF-DAYGRLMNSA-N 1 2 403.592 3.802 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@H](O)[C@@H](C)C3)sc2C1 ZINC000426161950 974275150 /nfs/dbraw/zinc/27/51/50/974275150.db2.gz PJOFJXIAOVTFGF-DAYGRLMNSA-N 1 2 403.592 3.802 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000426186406 974296140 /nfs/dbraw/zinc/29/61/40/974296140.db2.gz JAQYJTZZZDJJNQ-KRWDZBQOSA-N 1 2 414.550 3.694 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000426186406 974296152 /nfs/dbraw/zinc/29/61/52/974296152.db2.gz JAQYJTZZZDJJNQ-KRWDZBQOSA-N 1 2 414.550 3.694 20 30 HHEDLO O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426447280 974453983 /nfs/dbraw/zinc/45/39/83/974453983.db2.gz IQQHRYCQGOIXKS-UHFFFAOYSA-N 1 2 418.434 3.973 20 30 HHEDLO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426447280 974453984 /nfs/dbraw/zinc/45/39/84/974453984.db2.gz IQQHRYCQGOIXKS-UHFFFAOYSA-N 1 2 418.434 3.973 20 30 HHEDLO COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)c(OC)c1 ZINC000428779748 976052890 /nfs/dbraw/zinc/05/28/90/976052890.db2.gz LLBWMFQAURNQKT-GOSISDBHSA-N 1 2 422.510 3.747 20 30 HHEDLO COc1ccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)c(OC)c1 ZINC000428779748 976052900 /nfs/dbraw/zinc/05/29/00/976052900.db2.gz LLBWMFQAURNQKT-GOSISDBHSA-N 1 2 422.510 3.747 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000428814567 976093485 /nfs/dbraw/zinc/09/34/85/976093485.db2.gz GUDQBSWNMFBCCX-QPPBQGQZSA-N 1 2 422.504 3.593 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000428814567 976093496 /nfs/dbraw/zinc/09/34/96/976093496.db2.gz GUDQBSWNMFBCCX-QPPBQGQZSA-N 1 2 422.504 3.593 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429244594 976534478 /nfs/dbraw/zinc/53/44/78/976534478.db2.gz GWSRXNSZBXHKLY-RBUKOAKNSA-N 1 2 424.520 3.680 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429244594 976534485 /nfs/dbraw/zinc/53/44/85/976534485.db2.gz GWSRXNSZBXHKLY-RBUKOAKNSA-N 1 2 424.520 3.680 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432963574 979026251 /nfs/dbraw/zinc/02/62/51/979026251.db2.gz XKSUSKACECFVFP-GOSISDBHSA-N 1 2 405.477 3.779 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432963574 979026256 /nfs/dbraw/zinc/02/62/56/979026256.db2.gz XKSUSKACECFVFP-GOSISDBHSA-N 1 2 405.477 3.779 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3cc(F)ccc3F)C(F)F)CC2)cc1 ZINC000433646452 979450303 /nfs/dbraw/zinc/45/03/03/979450303.db2.gz SVRGJDQAAHRBNL-IBGZPJMESA-N 1 2 420.410 3.670 20 30 HHEDLO C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(Cc2ccccc2)no1 ZINC000434986394 980551153 /nfs/dbraw/zinc/55/11/53/980551153.db2.gz OLGZAFRRVMAOGI-QGZVFWFLSA-N 1 2 413.485 3.683 20 30 HHEDLO COc1cc(C#N)ccc1OCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436158936 981226594 /nfs/dbraw/zinc/22/65/94/981226594.db2.gz DYNZVDOGEWQUEV-UHFFFAOYSA-N 1 2 402.454 3.784 20 30 HHEDLO C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@@H+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000460938567 982676464 /nfs/dbraw/zinc/67/64/64/982676464.db2.gz LAYKJWCQXNVVPL-KRWDZBQOSA-N 1 2 418.611 3.854 20 30 HHEDLO C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@H+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000460938567 982676466 /nfs/dbraw/zinc/67/64/66/982676466.db2.gz LAYKJWCQXNVVPL-KRWDZBQOSA-N 1 2 418.611 3.854 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)cc1 ZINC000438632448 982952017 /nfs/dbraw/zinc/95/20/17/982952017.db2.gz DDCLZXALJAPLDS-UHFFFAOYSA-N 1 2 413.403 3.798 20 30 HHEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC000438635094 982954329 /nfs/dbraw/zinc/95/43/29/982954329.db2.gz KLTRUFLMIOKAGK-GOSISDBHSA-N 1 2 418.419 3.600 20 30 HHEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC000438635094 982954331 /nfs/dbraw/zinc/95/43/31/982954331.db2.gz KLTRUFLMIOKAGK-GOSISDBHSA-N 1 2 418.419 3.600 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)cc1 ZINC000438637101 982956377 /nfs/dbraw/zinc/95/63/77/982956377.db2.gz RILYZMCGCFDTIE-UHFFFAOYSA-N 1 2 404.392 3.648 20 30 HHEDLO Cc1cn2cc(NC(=O)C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)ccc2[nH+]1 ZINC000439384257 983388073 /nfs/dbraw/zinc/38/80/73/983388073.db2.gz IFZKFVKHJWBFEH-UHFFFAOYSA-N 1 2 411.421 3.884 20 30 HHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CCCO1 ZINC000439477171 983424091 /nfs/dbraw/zinc/42/40/91/983424091.db2.gz JSJCHFIFLDNXAI-LJQANCHMSA-N 1 2 406.530 3.667 20 30 HHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CCCO1 ZINC000439477171 983424092 /nfs/dbraw/zinc/42/40/92/983424092.db2.gz JSJCHFIFLDNXAI-LJQANCHMSA-N 1 2 406.530 3.667 20 30 HHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000440098279 983643170 /nfs/dbraw/zinc/64/31/70/983643170.db2.gz GPBJMKSAAOSQIS-BTYIYWSLSA-N 1 2 412.484 3.913 20 30 HHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000440098279 983643173 /nfs/dbraw/zinc/64/31/73/983643173.db2.gz GPBJMKSAAOSQIS-BTYIYWSLSA-N 1 2 412.484 3.913 20 30 HHEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)Cc2ccccc21 ZINC000441113752 984074661 /nfs/dbraw/zinc/07/46/61/984074661.db2.gz FWMZYGHEIHNQGX-QFIPXVFZSA-N 1 2 415.493 3.900 20 30 HHEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)Cc2ccccc21 ZINC000441113752 984074666 /nfs/dbraw/zinc/07/46/66/984074666.db2.gz FWMZYGHEIHNQGX-QFIPXVFZSA-N 1 2 415.493 3.900 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000441253406 984140502 /nfs/dbraw/zinc/14/05/02/984140502.db2.gz KVFBSYALUAUACJ-UHFFFAOYSA-N 1 2 407.905 3.970 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)o2)cc1 ZINC000441253406 984140505 /nfs/dbraw/zinc/14/05/05/984140505.db2.gz KVFBSYALUAUACJ-UHFFFAOYSA-N 1 2 407.905 3.970 20 30 HHEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(Br)c1 ZINC000461777271 984774474 /nfs/dbraw/zinc/77/44/74/984774474.db2.gz UPTOIHFUPQXUQG-INIZCTEOSA-N 1 2 412.331 3.769 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(C)c1 ZINC000461963016 984952887 /nfs/dbraw/zinc/95/28/87/984952887.db2.gz QPTZUICJEKATEX-HSZRJFAPSA-N 1 2 415.497 3.586 20 30 HHEDLO Cc1cc(N2CCN(C(=O)CS[C@H](C)c3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000443163074 985419095 /nfs/dbraw/zinc/41/90/95/985419095.db2.gz XDWHALSVKXPHBD-GOSISDBHSA-N 1 2 423.586 3.923 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000468077416 985733585 /nfs/dbraw/zinc/73/35/85/985733585.db2.gz JGRJIHMMCCPNAM-AWEZNQCLSA-N 1 2 410.381 3.884 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468077416 985733593 /nfs/dbraw/zinc/73/35/93/985733593.db2.gz JGRJIHMMCCPNAM-AWEZNQCLSA-N 1 2 410.381 3.884 20 30 HHEDLO Cc1nc(SCC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C#N)c(C)c1C ZINC000463089896 986047361 /nfs/dbraw/zinc/04/73/61/986047361.db2.gz WZGPKYUHFKZXFK-QGZVFWFLSA-N 1 2 414.600 3.938 20 30 HHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](c1ccccc1)C2 ZINC000468752510 986467090 /nfs/dbraw/zinc/46/70/90/986467090.db2.gz ADYQWPOQGCTUQJ-RUZDIDTESA-N 1 2 411.505 3.983 20 30 HHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](c1ccccc1)C2 ZINC000468752510 986467093 /nfs/dbraw/zinc/46/70/93/986467093.db2.gz ADYQWPOQGCTUQJ-RUZDIDTESA-N 1 2 411.505 3.983 20 30 HHEDLO CC(C)(C)C1CCC(C#N)(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000468790734 986501145 /nfs/dbraw/zinc/50/11/45/986501145.db2.gz CAUYCHVUMKNLTA-UHFFFAOYSA-N 1 2 400.548 3.708 20 30 HHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000470302624 988260611 /nfs/dbraw/zinc/26/06/11/988260611.db2.gz MJCAVCOCWARANV-NRFANRHFSA-N 1 2 400.482 3.891 20 30 HHEDLO COc1cccc([C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2Cl)c1 ZINC000470530955 988534341 /nfs/dbraw/zinc/53/43/41/988534341.db2.gz SFJKYMARPRBXRV-JOCHJYFZSA-N 1 2 410.905 3.684 20 30 HHEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464462187 988637897 /nfs/dbraw/zinc/63/78/97/988637897.db2.gz CWOLNXGWIKQLEJ-CYBMUJFWSA-N 1 2 401.304 3.684 20 30 HHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000464495213 988667537 /nfs/dbraw/zinc/66/75/37/988667537.db2.gz MWKFQXZFTDMGJY-ROUUACIJSA-N 1 2 417.575 3.931 20 30 HHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000464495213 988667543 /nfs/dbraw/zinc/66/75/43/988667543.db2.gz MWKFQXZFTDMGJY-ROUUACIJSA-N 1 2 417.575 3.931 20 30 HHEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000471701448 989903982 /nfs/dbraw/zinc/90/39/82/989903982.db2.gz PDRQVMSKZUTHRD-UHFFFAOYSA-N 1 2 404.363 3.630 20 30 HHEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000471705731 989906151 /nfs/dbraw/zinc/90/61/51/989906151.db2.gz MDPOHCWZJLQHST-UHFFFAOYSA-N 1 2 404.363 3.630 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000465623152 990008727 /nfs/dbraw/zinc/00/87/27/990008727.db2.gz BZSQFARJIXCURS-ZEQRLZLVSA-N 1 2 418.541 3.500 20 30 HHEDLO N#Cc1cc(C(F)(F)F)ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000467715340 992968025 /nfs/dbraw/zinc/96/80/25/992968025.db2.gz RMFUMQJAIQCSJP-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472329500 993338206 /nfs/dbraw/zinc/33/82/06/993338206.db2.gz SSIVVIIFYBTALE-AOMKIAJQSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000472329500 993338212 /nfs/dbraw/zinc/33/82/12/993338212.db2.gz SSIVVIIFYBTALE-AOMKIAJQSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000472760299 993699273 /nfs/dbraw/zinc/69/92/73/993699273.db2.gz UQQTVNSVWVXXRS-FQEVSTJZSA-N 1 2 413.525 3.692 20 30 HHEDLO C=C(C)[C@@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccc(F)c(F)c1 ZINC000481017846 993860881 /nfs/dbraw/zinc/86/08/81/993860881.db2.gz WMOMZQUYWZHGED-HXUWFJFHSA-N 1 2 402.445 3.944 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000481286871 994103582 /nfs/dbraw/zinc/10/35/82/994103582.db2.gz SCYRNGMDYKBTID-IEBWSBKVSA-N 1 2 401.461 3.960 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000481286871 994103585 /nfs/dbraw/zinc/10/35/85/994103585.db2.gz SCYRNGMDYKBTID-IEBWSBKVSA-N 1 2 401.461 3.960 20 30 HHEDLO CN(C(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1)C1(C#N)CCCCC1 ZINC000481425577 994260618 /nfs/dbraw/zinc/26/06/18/994260618.db2.gz RJTKISNMZVYWQQ-QHCPKHFHSA-N 1 2 415.541 3.937 20 30 HHEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000473561918 994426296 /nfs/dbraw/zinc/42/62/96/994426296.db2.gz KBOWJXGUWYHJOP-OAQYLSRUSA-N 1 2 405.889 3.548 20 30 HHEDLO C=C(C)[C@H]([NH2+]CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1ccc(F)c(F)c1 ZINC000481596391 994444238 /nfs/dbraw/zinc/44/42/38/994444238.db2.gz JZWWWNAQXKSBFB-QFIPXVFZSA-N 1 2 415.484 3.852 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474189179 995180694 /nfs/dbraw/zinc/18/06/94/995180694.db2.gz MJFMPCDLBUDQET-PZJWPPBQSA-N 1 2 413.443 3.959 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474189179 995180698 /nfs/dbraw/zinc/18/06/98/995180698.db2.gz MJFMPCDLBUDQET-PZJWPPBQSA-N 1 2 413.443 3.959 20 30 HHEDLO C=C(C)[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000482640238 995634932 /nfs/dbraw/zinc/63/49/32/995634932.db2.gz GSQKCNTVAOKFQQ-SIKLNZKXSA-N 1 2 415.484 3.782 20 30 HHEDLO C=C(C)[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000482640238 995634936 /nfs/dbraw/zinc/63/49/36/995634936.db2.gz GSQKCNTVAOKFQQ-SIKLNZKXSA-N 1 2 415.484 3.782 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000482924336 995854109 /nfs/dbraw/zinc/85/41/09/995854109.db2.gz CYCKSGLMXMSDLF-LJQANCHMSA-N 1 2 421.545 3.721 20 30 HHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000483430623 996174238 /nfs/dbraw/zinc/17/42/38/996174238.db2.gz JTPXJPKNLQFXAS-HSZRJFAPSA-N 1 2 402.498 3.744 20 30 HHEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000483430623 996174242 /nfs/dbraw/zinc/17/42/42/996174242.db2.gz JTPXJPKNLQFXAS-HSZRJFAPSA-N 1 2 402.498 3.744 20 30 HHEDLO CCc1nnc(-c2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)o1 ZINC000475680380 996295829 /nfs/dbraw/zinc/29/58/29/996295829.db2.gz PETFMURCGABIBV-UHFFFAOYSA-N 1 2 416.485 3.520 20 30 HHEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000476530309 997019831 /nfs/dbraw/zinc/01/98/31/997019831.db2.gz FROPCGIYDRHNGM-WMZOPIPTSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000476530309 997019843 /nfs/dbraw/zinc/01/98/43/997019843.db2.gz FROPCGIYDRHNGM-WMZOPIPTSA-N 1 2 410.326 3.589 20 30 HHEDLO C=CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000476877507 997456630 /nfs/dbraw/zinc/45/66/30/997456630.db2.gz BENYGAJVJOPENH-KNQAVFIVSA-N 1 2 423.557 3.827 20 30 HHEDLO C=CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000476877507 997456632 /nfs/dbraw/zinc/45/66/32/997456632.db2.gz BENYGAJVJOPENH-KNQAVFIVSA-N 1 2 423.557 3.827 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000485423196 997858382 /nfs/dbraw/zinc/85/83/82/997858382.db2.gz MIMMVQYMNMXDMX-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000485423196 997858390 /nfs/dbraw/zinc/85/83/90/997858390.db2.gz MIMMVQYMNMXDMX-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000485694883 998156670 /nfs/dbraw/zinc/15/66/70/998156670.db2.gz POZQWQXATXPHCM-FYYLOGMGSA-N 1 2 413.468 3.947 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000485694883 998156677 /nfs/dbraw/zinc/15/66/77/998156677.db2.gz POZQWQXATXPHCM-FYYLOGMGSA-N 1 2 413.468 3.947 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485893603 998347336 /nfs/dbraw/zinc/34/73/36/998347336.db2.gz ITTLPYDOOHCUEL-UHFFFAOYSA-N 1 2 408.546 3.627 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485893603 998347341 /nfs/dbraw/zinc/34/73/41/998347341.db2.gz ITTLPYDOOHCUEL-UHFFFAOYSA-N 1 2 408.546 3.627 20 30 HHEDLO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1cccs1 ZINC000477680357 998392865 /nfs/dbraw/zinc/39/28/65/998392865.db2.gz RGUNUEJJLCBPIC-MRXNPFEDSA-N 1 2 412.559 3.550 20 30 HHEDLO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1cccs1 ZINC000477680357 998392871 /nfs/dbraw/zinc/39/28/71/998392871.db2.gz RGUNUEJJLCBPIC-MRXNPFEDSA-N 1 2 412.559 3.550 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000477923607 998660410 /nfs/dbraw/zinc/66/04/10/998660410.db2.gz PJMZMMKWYPJCSL-UHFFFAOYSA-N 1 2 416.378 3.881 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(C)c1 ZINC000486632410 998867240 /nfs/dbraw/zinc/86/72/40/998867240.db2.gz XUCAIZSFCGUDDJ-GOSISDBHSA-N 1 2 413.403 3.957 20 30 HHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1Cl ZINC000478369353 998921164 /nfs/dbraw/zinc/92/11/64/998921164.db2.gz LFTLPFUZZPPNKI-OAHLLOKOSA-N 1 2 400.885 3.939 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000478424818 998950778 /nfs/dbraw/zinc/95/07/78/998950778.db2.gz AEJRLPVBCFVYOI-UHFFFAOYSA-N 1 2 411.552 3.821 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC(F)F ZINC000478973706 999229792 /nfs/dbraw/zinc/22/97/92/999229792.db2.gz YNFZOVQEWSRDJI-UHFFFAOYSA-N 1 2 409.458 3.917 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC(F)F ZINC000478973706 999229795 /nfs/dbraw/zinc/22/97/95/999229795.db2.gz YNFZOVQEWSRDJI-UHFFFAOYSA-N 1 2 409.458 3.917 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(Br)cc3C#N)CC2)no1 ZINC000480225094 999749970 /nfs/dbraw/zinc/74/99/70/999749970.db2.gz MHGUDCARDTWANS-MRXNPFEDSA-N 1 2 404.312 3.503 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc(Br)cc3C#N)CC2)no1 ZINC000480225094 999749973 /nfs/dbraw/zinc/74/99/73/999749973.db2.gz MHGUDCARDTWANS-MRXNPFEDSA-N 1 2 404.312 3.503 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000480409931 999792227 /nfs/dbraw/zinc/79/22/27/999792227.db2.gz XKNXAVMLMGMNEN-UHFFFAOYSA-N 1 2 424.501 3.591 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000480409931 999792230 /nfs/dbraw/zinc/79/22/30/999792230.db2.gz XKNXAVMLMGMNEN-UHFFFAOYSA-N 1 2 424.501 3.591 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236013 999917683 /nfs/dbraw/zinc/91/76/83/999917683.db2.gz BVCNGGVQZXVPFI-VXKWHMMOSA-N 1 2 410.468 3.979 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236013 999917685 /nfs/dbraw/zinc/91/76/85/999917685.db2.gz BVCNGGVQZXVPFI-VXKWHMMOSA-N 1 2 410.468 3.979 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236016 999917710 /nfs/dbraw/zinc/91/77/10/999917710.db2.gz BVCNGGVQZXVPFI-YADHBBJMSA-N 1 2 410.468 3.979 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236016 999917711 /nfs/dbraw/zinc/91/77/11/999917711.db2.gz BVCNGGVQZXVPFI-YADHBBJMSA-N 1 2 410.468 3.979 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490261799 999924544 /nfs/dbraw/zinc/92/45/44/999924544.db2.gz YZUGNQNHUCDBFM-FCHUYYIVSA-N 1 2 410.468 3.956 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490261799 999924546 /nfs/dbraw/zinc/92/45/46/999924546.db2.gz YZUGNQNHUCDBFM-FCHUYYIVSA-N 1 2 410.468 3.956 20 30 HHEDLO C=CCc1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc(OC)c1OC ZINC000504832995 1000392173 /nfs/dbraw/zinc/39/21/73/1000392173.db2.gz CTADDVWMFXZNME-UHFFFAOYSA-N 1 2 421.497 3.982 20 30 HHEDLO COc1cc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000494784569 1000654799 /nfs/dbraw/zinc/65/47/99/1000654799.db2.gz LFGHDNLJNUKPLL-XMMPIXPASA-N 1 2 415.493 3.804 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000494784569 1000654802 /nfs/dbraw/zinc/65/48/02/1000654802.db2.gz LFGHDNLJNUKPLL-XMMPIXPASA-N 1 2 415.493 3.804 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000494949039 1000747714 /nfs/dbraw/zinc/74/77/14/1000747714.db2.gz LETRMJONGQFQQL-ADXZGYQBSA-N 1 2 411.571 3.808 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000494949039 1000747718 /nfs/dbraw/zinc/74/77/18/1000747718.db2.gz LETRMJONGQFQQL-ADXZGYQBSA-N 1 2 411.571 3.808 20 30 HHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n2)C1 ZINC000505737468 1001000293 /nfs/dbraw/zinc/00/02/93/1001000293.db2.gz XTARXRRTIKMNKQ-JLTOFOAXSA-N 1 2 406.552 3.575 20 30 HHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n2)C1 ZINC000505737468 1001000298 /nfs/dbraw/zinc/00/02/98/1001000298.db2.gz XTARXRRTIKMNKQ-JLTOFOAXSA-N 1 2 406.552 3.575 20 30 HHEDLO CCOc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000506101618 1001221030 /nfs/dbraw/zinc/22/10/30/1001221030.db2.gz SCZXDLCOFVNXPI-UHFFFAOYSA-N 1 2 401.457 3.876 20 30 HHEDLO N#CCCn1cc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000506414348 1001401989 /nfs/dbraw/zinc/40/19/89/1001401989.db2.gz AZUOTOHDRRITFV-UHFFFAOYSA-N 1 2 417.488 3.561 20 30 HHEDLO COc1cc(OC)cc(Oc2cccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)c2)c1 ZINC000506617396 1001472732 /nfs/dbraw/zinc/47/27/32/1001472732.db2.gz IYYALCPPYUCAFY-QHCPKHFHSA-N 1 2 417.465 3.684 20 30 HHEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000498285236 1001755568 /nfs/dbraw/zinc/75/55/68/1001755568.db2.gz LXSNRCPJHMFIKN-NHCUHLMSSA-N 1 2 417.937 3.745 20 30 HHEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000498285236 1001755576 /nfs/dbraw/zinc/75/55/76/1001755576.db2.gz LXSNRCPJHMFIKN-NHCUHLMSSA-N 1 2 417.937 3.745 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507185615 1001874832 /nfs/dbraw/zinc/87/48/32/1001874832.db2.gz ZVAJWYVZUGLIPI-IBGZPJMESA-N 1 2 408.521 3.645 20 30 HHEDLO N#Cc1ccsc1N1CC[C@@H](Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1=O ZINC000507604454 1002211152 /nfs/dbraw/zinc/21/11/52/1002211152.db2.gz LCIYOMABBMMQIT-LJQANCHMSA-N 1 2 401.495 3.752 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498861042 1002245326 /nfs/dbraw/zinc/24/53/26/1002245326.db2.gz JDDIBHIAXVEECZ-PMACEKPBSA-N 1 2 415.946 3.757 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498861042 1002245334 /nfs/dbraw/zinc/24/53/34/1002245334.db2.gz JDDIBHIAXVEECZ-PMACEKPBSA-N 1 2 415.946 3.757 20 30 HHEDLO N#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1C(F)(F)F ZINC000498927145 1002324646 /nfs/dbraw/zinc/32/46/46/1002324646.db2.gz FHFLIDAMHAXOCG-UHFFFAOYSA-N 1 2 408.468 3.713 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)C1 ZINC000499171003 1002557667 /nfs/dbraw/zinc/55/76/67/1002557667.db2.gz QWOQJWJXMCQECV-LEWJYISDSA-N 1 2 424.932 3.572 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)c2ccc(Cl)cc2)C1 ZINC000499171003 1002557675 /nfs/dbraw/zinc/55/76/75/1002557675.db2.gz QWOQJWJXMCQECV-LEWJYISDSA-N 1 2 424.932 3.572 20 30 HHEDLO N#CCCCOc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000508615268 1003070446 /nfs/dbraw/zinc/07/04/46/1003070446.db2.gz NWKGUNIOSXSFRL-UHFFFAOYSA-N 1 2 417.469 3.811 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OC ZINC000508632266 1003082432 /nfs/dbraw/zinc/08/24/32/1003082432.db2.gz OHVVJFSLGOBBEM-UHFFFAOYSA-N 1 2 420.469 3.702 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)c1C ZINC000499953214 1003274325 /nfs/dbraw/zinc/27/43/25/1003274325.db2.gz KJYLBBMFTHQVDP-GOSISDBHSA-N 1 2 403.885 3.666 20 30 HHEDLO C=CCn1c(COCC)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000508888713 1003314740 /nfs/dbraw/zinc/31/47/40/1003314740.db2.gz PCTACHSINHRMRH-IBGZPJMESA-N 1 2 405.493 3.552 20 30 HHEDLO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508921368 1003361102 /nfs/dbraw/zinc/36/11/02/1003361102.db2.gz YIOGZLQOQXKILC-UHFFFAOYSA-N 1 2 414.966 3.872 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000509242492 1003648993 /nfs/dbraw/zinc/64/89/93/1003648993.db2.gz AWZSQLJVJFJZBR-IPJJNNNSSA-N 1 2 413.562 3.573 20 30 HHEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000509612182 1003979153 /nfs/dbraw/zinc/97/91/53/1003979153.db2.gz XCFNMIGYWLWMLY-OAQYLSRUSA-N 1 2 422.529 3.554 20 30 HHEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1OC ZINC000500837079 1003992198 /nfs/dbraw/zinc/99/21/98/1003992198.db2.gz MDVRRRCROSAEKZ-NRFANRHFSA-N 1 2 407.470 3.884 20 30 HHEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1OC ZINC000500837079 1003992203 /nfs/dbraw/zinc/99/22/03/1003992203.db2.gz MDVRRRCROSAEKZ-NRFANRHFSA-N 1 2 407.470 3.884 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(COc4ccccc4C#N)c3)n2)C1 ZINC000500884467 1004027572 /nfs/dbraw/zinc/02/75/72/1004027572.db2.gz AZICSUPGEQHVMB-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(COc4ccccc4C#N)c3)n2)C1 ZINC000500884467 1004027577 /nfs/dbraw/zinc/02/75/77/1004027577.db2.gz AZICSUPGEQHVMB-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000512170477 1004073918 /nfs/dbraw/zinc/07/39/18/1004073918.db2.gz SCOCYVSNXHKTFQ-INIZCTEOSA-N 1 2 413.543 3.807 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000512170477 1004073920 /nfs/dbraw/zinc/07/39/20/1004073920.db2.gz SCOCYVSNXHKTFQ-INIZCTEOSA-N 1 2 413.543 3.807 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000512197580 1004098234 /nfs/dbraw/zinc/09/82/34/1004098234.db2.gz STVJNLPVEGVJKG-HXUWFJFHSA-N 1 2 420.456 3.947 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000512197580 1004098243 /nfs/dbraw/zinc/09/82/43/1004098243.db2.gz STVJNLPVEGVJKG-HXUWFJFHSA-N 1 2 420.456 3.947 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1Cl ZINC000512569897 1004392329 /nfs/dbraw/zinc/39/23/29/1004392329.db2.gz RCGOCULGFLTMHZ-GOSISDBHSA-N 1 2 417.859 3.674 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1Cl ZINC000512569897 1004392340 /nfs/dbraw/zinc/39/23/40/1004392340.db2.gz RCGOCULGFLTMHZ-GOSISDBHSA-N 1 2 417.859 3.674 20 30 HHEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)n1 ZINC000510423111 1004556790 /nfs/dbraw/zinc/55/67/90/1004556790.db2.gz CISOETVVGZNVJK-UHFFFAOYSA-N 1 2 424.549 3.775 20 30 HHEDLO CCOc1ccccc1[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000510443312 1004570534 /nfs/dbraw/zinc/57/05/34/1004570534.db2.gz MMMVQXSMPYWOQT-JOCHJYFZSA-N 1 2 406.530 3.935 20 30 HHEDLO Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1C ZINC000512824212 1004583120 /nfs/dbraw/zinc/58/31/20/1004583120.db2.gz PJJAEDSAZWAOHM-UHFFFAOYSA-N 1 2 424.476 3.506 20 30 HHEDLO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502200272 1004954445 /nfs/dbraw/zinc/95/44/45/1004954445.db2.gz XEYWKAJULGZWHC-OAHLLOKOSA-N 1 2 401.470 3.619 20 30 HHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000511178452 1005060712 /nfs/dbraw/zinc/06/07/12/1005060712.db2.gz VBEREOROFDEQRW-QGZVFWFLSA-N 1 2 402.429 3.893 20 30 HHEDLO N#C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513667966 1005074590 /nfs/dbraw/zinc/07/45/90/1005074590.db2.gz XVCFYHSSDQZQEJ-FNZWTVRRSA-N 1 2 422.488 3.784 20 30 HHEDLO N#C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513667966 1005074598 /nfs/dbraw/zinc/07/45/98/1005074598.db2.gz XVCFYHSSDQZQEJ-FNZWTVRRSA-N 1 2 422.488 3.784 20 30 HHEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000511282490 1005106027 /nfs/dbraw/zinc/10/60/27/1005106027.db2.gz SGRVHMWEAJKCOU-UHFFFAOYSA-N 1 2 414.513 3.711 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555101 1005116440 /nfs/dbraw/zinc/11/64/40/1005116440.db2.gz UTRAVJOKAUSOGF-IBGZPJMESA-N 1 2 414.509 3.991 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555101 1005116442 /nfs/dbraw/zinc/11/64/42/1005116442.db2.gz UTRAVJOKAUSOGF-IBGZPJMESA-N 1 2 414.509 3.991 20 30 HHEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000503795207 1005494115 /nfs/dbraw/zinc/49/41/15/1005494115.db2.gz CBWFKQNTWOVHGS-FUHWJXTLSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000503795207 1005494117 /nfs/dbraw/zinc/49/41/17/1005494117.db2.gz CBWFKQNTWOVHGS-FUHWJXTLSA-N 1 2 410.326 3.589 20 30 HHEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1C ZINC000531254973 1006073589 /nfs/dbraw/zinc/07/35/89/1006073589.db2.gz BDGMHHKQIHAAFH-GOSISDBHSA-N 1 2 409.530 3.910 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000534129193 1006106233 /nfs/dbraw/zinc/10/62/33/1006106233.db2.gz UEEBHWUJRBJJGZ-MSOLQXFVSA-N 1 2 417.575 3.537 20 30 HHEDLO N#CCCCOc1cccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000534335041 1006305342 /nfs/dbraw/zinc/30/53/42/1006305342.db2.gz MEGQRYBFDWDHIK-UHFFFAOYSA-N 1 2 417.513 3.737 20 30 HHEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000532518274 1006954547 /nfs/dbraw/zinc/95/45/47/1006954547.db2.gz NSQHTWYIMFZMDV-NRFANRHFSA-N 1 2 408.889 3.598 20 30 HHEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000538717965 1006990840 /nfs/dbraw/zinc/99/08/40/1006990840.db2.gz LKNXRANGSZXVSB-OAQYLSRUSA-N 1 2 421.541 3.789 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000532662520 1007079091 /nfs/dbraw/zinc/07/90/91/1007079091.db2.gz NCBHCCHLSQGYHS-SFHVURJKSA-N 1 2 424.570 3.957 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000532662520 1007079103 /nfs/dbraw/zinc/07/91/03/1007079103.db2.gz NCBHCCHLSQGYHS-SFHVURJKSA-N 1 2 424.570 3.957 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000532764316 1007169267 /nfs/dbraw/zinc/16/92/67/1007169267.db2.gz XREXMRKMPXECMG-INIZCTEOSA-N 1 2 412.559 3.626 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000532963503 1007330433 /nfs/dbraw/zinc/33/04/33/1007330433.db2.gz JUIHJZZTVZINPQ-AKERNLMBSA-N 1 2 409.599 3.982 20 30 HHEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533074896 1007437474 /nfs/dbraw/zinc/43/74/74/1007437474.db2.gz JFVZQENETFBFMP-FQEVSTJZSA-N 1 2 411.527 3.673 20 30 HHEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533074896 1007437508 /nfs/dbraw/zinc/43/75/08/1007437508.db2.gz JFVZQENETFBFMP-FQEVSTJZSA-N 1 2 411.527 3.673 20 30 HHEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000517129505 1007442610 /nfs/dbraw/zinc/44/26/10/1007442610.db2.gz KEGUFHZWLLQECK-LJQANCHMSA-N 1 2 422.529 3.632 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)c1C#N ZINC000533290397 1007603461 /nfs/dbraw/zinc/60/34/61/1007603461.db2.gz HCFGOXHTBQJSMF-GJZGRUSLSA-N 1 2 414.550 3.928 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000533369611 1007678109 /nfs/dbraw/zinc/67/81/09/1007678109.db2.gz KKMZXPVPBCAPIP-UHFFFAOYSA-N 1 2 420.904 3.815 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)CC2)cc1 ZINC000539406337 1007713219 /nfs/dbraw/zinc/71/32/19/1007713219.db2.gz NDBBSIRXTSYBPE-OAQYLSRUSA-N 1 2 424.932 3.953 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1OC ZINC000535823072 1007837751 /nfs/dbraw/zinc/83/77/51/1007837751.db2.gz DVOYIJPKPVOSIC-NVXWUHKLSA-N 1 2 414.365 3.729 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1OC ZINC000535823072 1007837766 /nfs/dbraw/zinc/83/77/66/1007837766.db2.gz DVOYIJPKPVOSIC-NVXWUHKLSA-N 1 2 414.365 3.729 20 30 HHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000539765430 1008080914 /nfs/dbraw/zinc/08/09/14/1008080914.db2.gz HNKIYYDBUXCBDK-QFBILLFUSA-N 1 2 406.534 3.931 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000533817827 1008131219 /nfs/dbraw/zinc/13/12/19/1008131219.db2.gz KHHRWHQEKILNTE-KRWDZBQOSA-N 1 2 414.600 3.756 20 30 HHEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000518295475 1008245206 /nfs/dbraw/zinc/24/52/06/1008245206.db2.gz OYIQFCMHOZLEDH-HXUWFJFHSA-N 1 2 412.921 3.791 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)cc1 ZINC000540054930 1008261741 /nfs/dbraw/zinc/26/17/41/1008261741.db2.gz DQKYCRGKQAKCHA-MRXNPFEDSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)o2)cc1 ZINC000540054930 1008261747 /nfs/dbraw/zinc/26/17/47/1008261747.db2.gz DQKYCRGKQAKCHA-MRXNPFEDSA-N 1 2 415.375 3.675 20 30 HHEDLO C=CCc1cc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc(OC)c1OC ZINC000518446432 1008310522 /nfs/dbraw/zinc/31/05/22/1008310522.db2.gz DSVXKAPRADLIOO-UHFFFAOYSA-N 1 2 405.498 3.536 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCO[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000540395432 1008415437 /nfs/dbraw/zinc/41/54/37/1008415437.db2.gz RIGIPYGBRNZYBY-VXKWHMMOSA-N 1 2 424.932 3.569 20 30 HHEDLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)ccc2NC1=O ZINC000540459699 1008440525 /nfs/dbraw/zinc/44/05/25/1008440525.db2.gz XVQMKZSLVARUJL-FZKQIMNGSA-N 1 2 403.442 3.569 20 30 HHEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)c2)cc1 ZINC000518957901 1008486398 /nfs/dbraw/zinc/48/63/98/1008486398.db2.gz BYXUZIBIMALABH-OAQYLSRUSA-N 1 2 405.498 3.677 20 30 HHEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)c2)cc1 ZINC000518957898 1008486421 /nfs/dbraw/zinc/48/64/21/1008486421.db2.gz BYXUZIBIMALABH-NRFANRHFSA-N 1 2 405.498 3.677 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000543030605 1008613325 /nfs/dbraw/zinc/61/33/25/1008613325.db2.gz YPGFPDJWFABKMU-UHFFFAOYSA-N 1 2 410.884 3.644 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000543030605 1008613330 /nfs/dbraw/zinc/61/33/30/1008613330.db2.gz YPGFPDJWFABKMU-UHFFFAOYSA-N 1 2 410.884 3.644 20 30 HHEDLO N#Cc1ccc(CSCc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)cc1 ZINC000545591332 1008690308 /nfs/dbraw/zinc/69/03/08/1008690308.db2.gz QYOZNAAZAKCYTQ-UHFFFAOYSA-N 1 2 406.511 3.874 20 30 HHEDLO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000549296285 1008869737 /nfs/dbraw/zinc/86/97/37/1008869737.db2.gz CHTDPONPPPJEIY-UHFFFAOYSA-N 1 2 420.561 3.648 20 30 HHEDLO N#CCc1ccc(OC[C@@H](O)C[NH+]2CC(OCc3cccc4ccccc43)C2)cc1 ZINC000546048070 1009072321 /nfs/dbraw/zinc/07/23/21/1009072321.db2.gz CZAZMIHTBYYXOL-QFIPXVFZSA-N 1 2 402.494 3.547 20 30 HHEDLO N#CCc1ccc(OC[C@H](O)C[NH+]2CC(OCc3cccc4ccccc43)C2)cc1 ZINC000546048064 1009072448 /nfs/dbraw/zinc/07/24/48/1009072448.db2.gz CZAZMIHTBYYXOL-JOCHJYFZSA-N 1 2 402.494 3.547 20 30 HHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)c1ccc(C)o1 ZINC000543485735 1009073838 /nfs/dbraw/zinc/07/38/38/1009073838.db2.gz IISIYOBNRWDLPQ-HXUWFJFHSA-N 1 2 424.476 3.922 20 30 HHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1C ZINC000519922015 1009079230 /nfs/dbraw/zinc/07/92/30/1009079230.db2.gz WMEDVGFINHGOOH-UHFFFAOYSA-N 1 2 405.420 3.919 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2nnc3ccccn32)c1C#N ZINC000543519385 1009110767 /nfs/dbraw/zinc/11/07/67/1009110767.db2.gz UUTNRSDNZZQRKP-INIZCTEOSA-N 1 2 419.533 3.814 20 30 HHEDLO C[C@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000543547365 1009146419 /nfs/dbraw/zinc/14/64/19/1009146419.db2.gz PRNLBRTVKOSPIV-OJLPUSQMSA-N 1 2 413.497 3.846 20 30 HHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc1C ZINC000543549694 1009151558 /nfs/dbraw/zinc/15/15/58/1009151558.db2.gz VJBFIYCFVIMKIB-VXGBXAGGSA-N 1 2 420.922 3.831 20 30 HHEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC(C)C ZINC000546223226 1009250558 /nfs/dbraw/zinc/25/05/58/1009250558.db2.gz MDXDYKGLPAVMIB-UHFFFAOYSA-N 1 2 408.502 3.704 20 30 HHEDLO N#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)cc1 ZINC000549729321 1009353032 /nfs/dbraw/zinc/35/30/32/1009353032.db2.gz VYDXDYCQKQBHGO-UHFFFAOYSA-N 1 2 409.287 3.860 20 30 HHEDLO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000543809348 1009372299 /nfs/dbraw/zinc/37/22/99/1009372299.db2.gz FXPXQDLIZBIMCX-UHFFFAOYSA-N 1 2 401.488 3.749 20 30 HHEDLO Cc1sc(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2Br)c(C#N)c1C ZINC000543811698 1009374127 /nfs/dbraw/zinc/37/41/27/1009374127.db2.gz UWUWLIMLDVZNMB-INIZCTEOSA-N 1 2 422.348 3.651 20 30 HHEDLO N#CCc1ccc(-c2nc(-c3ccc(N4CCN(c5cccc[nH+]5)CC4)nc3)no2)cc1 ZINC000546507560 1009530308 /nfs/dbraw/zinc/53/03/08/1009530308.db2.gz AUBDUJQFAHQURK-UHFFFAOYSA-N 1 2 423.480 3.586 20 30 HHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000550157903 1009739833 /nfs/dbraw/zinc/73/98/33/1009739833.db2.gz IZPKOFXZNSYDBW-YLJYHZDGSA-N 1 2 404.352 3.655 20 30 HHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000550157903 1009739846 /nfs/dbraw/zinc/73/98/46/1009739846.db2.gz IZPKOFXZNSYDBW-YLJYHZDGSA-N 1 2 404.352 3.655 20 30 HHEDLO Cc1nc(N2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)cc[nH+]1 ZINC000546816859 1009777875 /nfs/dbraw/zinc/77/78/75/1009777875.db2.gz ZYJQHXIGZDKWAA-UHFFFAOYSA-N 1 2 415.522 3.770 20 30 HHEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000550443404 1009944004 /nfs/dbraw/zinc/94/40/04/1009944004.db2.gz FSSGOUZPSCKCML-NZQKXSOJSA-N 1 2 417.933 3.890 20 30 HHEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000550443404 1009944022 /nfs/dbraw/zinc/94/40/22/1009944022.db2.gz FSSGOUZPSCKCML-NZQKXSOJSA-N 1 2 417.933 3.890 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000544421232 1010040663 /nfs/dbraw/zinc/04/06/63/1010040663.db2.gz JUTNSUPPNPCWML-LLVKDONJSA-N 1 2 404.396 3.835 20 30 HHEDLO CC(C)(C#N)CCS(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000550824671 1010203421 /nfs/dbraw/zinc/20/34/21/1010203421.db2.gz OVGKAWNQLWEQLY-UHFFFAOYSA-N 1 2 411.571 3.663 20 30 HHEDLO CCOC(=O)COc1c(Br)cc(C)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000547339988 1010259839 /nfs/dbraw/zinc/25/98/39/1010259839.db2.gz JIVKYOHPSVMHKU-UHFFFAOYSA-N 1 2 418.291 3.773 20 30 HHEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCCc1c[nH+]cn1C ZINC000547804810 1010432409 /nfs/dbraw/zinc/43/24/09/1010432409.db2.gz BZZHNJXMFQNELN-UHFFFAOYSA-N 1 2 423.542 3.731 20 30 HHEDLO C=CCC[C@@H](NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000521586934 1010483489 /nfs/dbraw/zinc/48/34/89/1010483489.db2.gz VGNLSPZBSLCFGN-OAQYLSRUSA-N 1 2 406.530 3.512 20 30 HHEDLO Cc1sc(NC(=O)C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)c(C#N)c1C ZINC000548924466 1010762579 /nfs/dbraw/zinc/76/25/79/1010762579.db2.gz DBKIOILGTIJANU-UHFFFAOYSA-N 1 2 412.534 3.841 20 30 HHEDLO C[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000522984117 1011436097 /nfs/dbraw/zinc/43/60/97/1011436097.db2.gz CBTRHPLEIHLNCZ-CQSZACIVSA-N 1 2 418.360 3.981 20 30 HHEDLO C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000536418743 1011634857 /nfs/dbraw/zinc/63/48/57/1011634857.db2.gz CMXXCRAFLGENAA-CVEARBPZSA-N 1 2 413.905 3.843 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3(c4ccc(F)cc4)CCC3)CC2)cc1 ZINC000523341896 1011821586 /nfs/dbraw/zinc/82/15/86/1011821586.db2.gz AXOHGKZUTAZXOK-UHFFFAOYSA-N 1 2 406.505 3.646 20 30 HHEDLO C=CC[N@H+](Cc1cc(O)ccc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674082 1011832666 /nfs/dbraw/zinc/83/26/66/1011832666.db2.gz NVSNKUWGYJWKFO-CQSZACIVSA-N 1 2 414.307 3.880 20 30 HHEDLO C=CC[N@@H+](Cc1cc(O)ccc1Br)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674082 1011832672 /nfs/dbraw/zinc/83/26/72/1011832672.db2.gz NVSNKUWGYJWKFO-CQSZACIVSA-N 1 2 414.307 3.880 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000536675076 1011834256 /nfs/dbraw/zinc/83/42/56/1011834256.db2.gz LPJJCINDJNDRSH-CZUORRHYSA-N 1 2 424.257 3.910 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000536675076 1011834270 /nfs/dbraw/zinc/83/42/70/1011834270.db2.gz LPJJCINDJNDRSH-CZUORRHYSA-N 1 2 424.257 3.910 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1OC ZINC000552059727 1012077637 /nfs/dbraw/zinc/07/76/37/1012077637.db2.gz WPWABCCNCCWCPE-MRXNPFEDSA-N 1 2 423.351 3.609 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1OC ZINC000552059727 1012077653 /nfs/dbraw/zinc/07/76/53/1012077653.db2.gz WPWABCCNCCWCPE-MRXNPFEDSA-N 1 2 423.351 3.609 20 30 HHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000552068713 1012085263 /nfs/dbraw/zinc/08/52/63/1012085263.db2.gz IUVBFLTXJUBTTP-UHFFFAOYSA-N 1 2 413.284 3.986 20 30 HHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000552068713 1012085280 /nfs/dbraw/zinc/08/52/80/1012085280.db2.gz IUVBFLTXJUBTTP-UHFFFAOYSA-N 1 2 413.284 3.986 20 30 HHEDLO N#Cc1ccc(NC2CC2)c(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000552246731 1012257158 /nfs/dbraw/zinc/25/71/58/1012257158.db2.gz IPCVIUFOVIVBAZ-UHFFFAOYSA-N 1 2 414.469 3.610 20 30 HHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000552313464 1012324300 /nfs/dbraw/zinc/32/43/00/1012324300.db2.gz GTELNBIGPZJNDI-WIYYLYMNSA-N 1 2 405.498 3.594 20 30 HHEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537435085 1012924584 /nfs/dbraw/zinc/92/45/84/1012924584.db2.gz KUFUUALOTSLPDH-ROUUACIJSA-N 1 2 401.935 3.616 20 30 HHEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537435085 1012924595 /nfs/dbraw/zinc/92/45/95/1012924595.db2.gz KUFUUALOTSLPDH-ROUUACIJSA-N 1 2 401.935 3.616 20 30 HHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614924485 1071987153 /nfs/dbraw/zinc/98/71/53/1071987153.db2.gz JUYKSBJAMQDOMK-PXNSSMCTSA-N 1 2 411.468 3.982 20 30 HHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614924485 1071987154 /nfs/dbraw/zinc/98/71/54/1071987154.db2.gz JUYKSBJAMQDOMK-PXNSSMCTSA-N 1 2 411.468 3.982 20 30 HHEDLO CCOc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1OCC(=O)N1CCCCC1 ZINC000571611584 1072683684 /nfs/dbraw/zinc/68/36/84/1072683684.db2.gz NLEMFBCCFMKJQD-UHFFFAOYSA-N 1 2 408.502 3.550 20 30 HHEDLO C=C(C)Cn1c(COCC)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000555270823 1073302349 /nfs/dbraw/zinc/30/23/49/1073302349.db2.gz NFSABVASJQMRKP-HXUWFJFHSA-N 1 2 419.520 3.942 20 30 HHEDLO COC(=O)c1cccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1C#N ZINC000555428970 1073456017 /nfs/dbraw/zinc/45/60/17/1073456017.db2.gz SOEOOLAZGBDMQG-KRWDZBQOSA-N 1 2 412.795 3.840 20 30 HHEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cnc1C(F)(F)F ZINC000555938022 1073985728 /nfs/dbraw/zinc/98/57/28/1073985728.db2.gz JRJJNNCEGBGSLJ-UHFFFAOYSA-N 1 2 403.408 3.677 20 30 HHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000591317408 1074244935 /nfs/dbraw/zinc/24/49/35/1074244935.db2.gz HLMQWSXRNFNDLR-HXOBKFHXSA-N 1 2 411.546 3.701 20 30 HHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000591317408 1074244937 /nfs/dbraw/zinc/24/49/37/1074244937.db2.gz HLMQWSXRNFNDLR-HXOBKFHXSA-N 1 2 411.546 3.701 20 30 HHEDLO N#Cc1cc(Cl)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673961 719517973 /nfs/dbraw/zinc/51/79/73/719517973.db2.gz VQJNLQYGFBQEQL-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO N#Cc1cc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673961 719517978 /nfs/dbraw/zinc/51/79/78/719517978.db2.gz VQJNLQYGFBQEQL-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000301605304 970999017 /nfs/dbraw/zinc/99/90/17/970999017.db2.gz LPZWGKLUNUQVEI-JWQCQUIFSA-N 1 2 421.541 3.706 20 30 HHEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000301605304 970999022 /nfs/dbraw/zinc/99/90/22/970999022.db2.gz LPZWGKLUNUQVEI-JWQCQUIFSA-N 1 2 421.541 3.706 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000524265663 1013077881 /nfs/dbraw/zinc/07/78/81/1013077881.db2.gz GBPHTLLDFDFHOD-UHFFFAOYSA-N 1 2 409.530 3.678 20 30 HHEDLO CCCCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000303378113 971670379 /nfs/dbraw/zinc/67/03/79/971670379.db2.gz LWBQKRKYVDYQAN-KRWDZBQOSA-N 1 2 416.591 3.505 20 30 HHEDLO N#Cc1ccsc1NC(=O)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000009872654 961699231 /nfs/dbraw/zinc/69/92/31/961699231.db2.gz AFBYJPVEGKEKOZ-UHFFFAOYSA-N 1 2 424.555 3.527 20 30 HHEDLO Cc1cc(Br)cn2c(CN3CCN(Cc4ccccc4)[C@@H](C#N)C3)c[nH+]c12 ZINC000542467007 1013414312 /nfs/dbraw/zinc/41/43/12/1013414312.db2.gz REBRPNSMUMAQLX-IBGZPJMESA-N 1 2 424.346 3.615 20 30 HHEDLO C=CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537861957 1013434624 /nfs/dbraw/zinc/43/46/24/1013434624.db2.gz SPCRGALFOBWBAA-CQSZACIVSA-N 1 2 420.546 3.615 20 30 HHEDLO C=CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537861957 1013434627 /nfs/dbraw/zinc/43/46/27/1013434627.db2.gz SPCRGALFOBWBAA-CQSZACIVSA-N 1 2 420.546 3.615 20 30 HHEDLO C=CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537861954 1013434759 /nfs/dbraw/zinc/43/47/59/1013434759.db2.gz SPCRGALFOBWBAA-AWEZNQCLSA-N 1 2 420.546 3.615 20 30 HHEDLO C=CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537861954 1013434764 /nfs/dbraw/zinc/43/47/64/1013434764.db2.gz SPCRGALFOBWBAA-AWEZNQCLSA-N 1 2 420.546 3.615 20 30 HHEDLO C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCC[NH+]1CCOCC1 ZINC000022463910 963655947 /nfs/dbraw/zinc/65/59/47/963655947.db2.gz FVMYMGSBTDVHMY-UHFFFAOYSA-N 1 2 413.568 3.735 20 30 HHEDLO C[C@H](c1nnc(SCC(=O)Nc2cccc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000022718379 963703375 /nfs/dbraw/zinc/70/33/75/963703375.db2.gz IOSMGJVWUHWBOF-CQSZACIVSA-N 1 2 424.505 3.631 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025059215 964157806 /nfs/dbraw/zinc/15/78/06/964157806.db2.gz GDINGOVRABHEAI-IBGZPJMESA-N 1 2 419.525 3.925 20 30 HHEDLO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000542563933 1013504967 /nfs/dbraw/zinc/50/49/67/1013504967.db2.gz JNKHGGAZJKUQRN-ZDUSSCGKSA-N 1 2 403.451 3.548 20 30 HHEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000542580920 1013521455 /nfs/dbraw/zinc/52/14/55/1013521455.db2.gz WFXPEPFQJCLWHY-UHFFFAOYSA-N 1 2 411.531 3.846 20 30 HHEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000028708788 965167454 /nfs/dbraw/zinc/16/74/54/965167454.db2.gz QWXWAJOVFDTLMK-FQEVSTJZSA-N 1 2 414.431 3.505 20 30 HHEDLO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](c2ccccc2)C1 ZINC000054148800 965398186 /nfs/dbraw/zinc/39/81/86/965398186.db2.gz FBDIMECJFHSLTK-OAQYLSRUSA-N 1 2 401.466 3.859 20 30 HHEDLO C[N@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@@H](c2ccccc2)C1 ZINC000054148800 965398199 /nfs/dbraw/zinc/39/81/99/965398199.db2.gz FBDIMECJFHSLTK-OAQYLSRUSA-N 1 2 401.466 3.859 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000029684566 965456675 /nfs/dbraw/zinc/45/66/75/965456675.db2.gz NAOMJZARNCMNNR-IBGZPJMESA-N 1 2 410.949 3.965 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000030972719 965844491 /nfs/dbraw/zinc/84/44/91/965844491.db2.gz YIFWRLYUUWTTRN-UHFFFAOYSA-N 1 2 409.917 3.909 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000030972719 965844498 /nfs/dbraw/zinc/84/44/98/965844498.db2.gz YIFWRLYUUWTTRN-UHFFFAOYSA-N 1 2 409.917 3.909 20 30 HHEDLO COc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000060100309 966063274 /nfs/dbraw/zinc/06/32/74/966063274.db2.gz LPURCKDDSLUVOR-UHFFFAOYSA-N 1 2 405.454 3.550 20 30 HHEDLO C[C@@H](NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccc(C#N)cc1 ZINC000042019220 966689210 /nfs/dbraw/zinc/68/92/10/966689210.db2.gz PHVUVJKCHHJNED-MRXNPFEDSA-N 1 2 413.481 3.574 20 30 HHEDLO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1C#N ZINC000063123182 966757537 /nfs/dbraw/zinc/75/75/37/966757537.db2.gz ZTZIDAKRVVKNJS-UHFFFAOYSA-N 1 2 407.474 3.807 20 30 HHEDLO COc1cc(OC)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000043413795 966967856 /nfs/dbraw/zinc/96/78/56/966967856.db2.gz SLDSKMDMFZYTBL-UHFFFAOYSA-N 1 2 414.893 3.579 20 30 HHEDLO CC(C)C(=O)Nc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000043675091 967013220 /nfs/dbraw/zinc/01/32/20/967013220.db2.gz GMHSMKWXOCOZPJ-UHFFFAOYSA-N 1 2 405.502 3.502 20 30 HHEDLO C[C@H](OCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000045131703 967360717 /nfs/dbraw/zinc/36/07/17/967360717.db2.gz LWVUDMLGOGSDJV-FQEVSTJZSA-N 1 2 406.530 3.553 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000045314257 967418028 /nfs/dbraw/zinc/41/80/28/967418028.db2.gz VMXMAZJWAWNNFU-UHFFFAOYSA-N 1 2 403.313 3.621 20 30 HHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(C#N)cc1 ZINC000046048626 967647871 /nfs/dbraw/zinc/64/78/71/967647871.db2.gz GOEXRRLLORQAHZ-UHFFFAOYSA-N 1 2 417.513 3.956 20 30 HHEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000554014429 1013754484 /nfs/dbraw/zinc/75/44/84/1013754484.db2.gz YNPIWRNGTPAOAQ-ABSDTBQOSA-N 1 2 402.498 3.971 20 30 HHEDLO CSc1ccc([C@H](CNC(=O)CSCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047042399 968039135 /nfs/dbraw/zinc/03/91/35/968039135.db2.gz ZHMOYIQDEBXNRX-SFHVURJKSA-N 1 2 417.625 3.942 20 30 HHEDLO CSc1ccc([C@H](CNC(=O)CSCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000047042399 968039149 /nfs/dbraw/zinc/03/91/49/968039149.db2.gz ZHMOYIQDEBXNRX-SFHVURJKSA-N 1 2 417.625 3.942 20 30 HHEDLO COc1ccc(-c2nc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)n[nH]2)c(OC)c1 ZINC000072059769 968965265 /nfs/dbraw/zinc/96/52/65/968965265.db2.gz XUEXRYBBDGOLTN-SFHVURJKSA-N 1 2 407.474 3.742 20 30 HHEDLO COc1ccc(-c2nc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)n[nH]2)c(OC)c1 ZINC000072059769 968965270 /nfs/dbraw/zinc/96/52/70/968965270.db2.gz XUEXRYBBDGOLTN-SFHVURJKSA-N 1 2 407.474 3.742 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)c(F)c1 ZINC000110301796 969649960 /nfs/dbraw/zinc/64/99/60/969649960.db2.gz SFOSPFAKGAQACA-HNNXBMFYSA-N 1 2 424.303 3.566 20 30 HHEDLO C=CCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000110878269 969733407 /nfs/dbraw/zinc/73/34/07/969733407.db2.gz RSDLXDQQKZMQDC-FQEVSTJZSA-N 1 2 424.541 3.623 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000217072553 970082821 /nfs/dbraw/zinc/08/28/21/970082821.db2.gz LJNIRYJLDDUUSG-UHFFFAOYSA-N 1 2 404.514 3.889 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000217072553 970082828 /nfs/dbraw/zinc/08/28/28/970082828.db2.gz LJNIRYJLDDUUSG-UHFFFAOYSA-N 1 2 404.514 3.889 20 30 HHEDLO CCOc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(Cl)c1O ZINC000218590852 970085763 /nfs/dbraw/zinc/08/57/63/970085763.db2.gz MCRAPCOINVLTEP-UHFFFAOYSA-N 1 2 413.905 3.664 20 30 HHEDLO CCOc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(Cl)c1O ZINC000218590852 970085771 /nfs/dbraw/zinc/08/57/71/970085771.db2.gz MCRAPCOINVLTEP-UHFFFAOYSA-N 1 2 413.905 3.664 20 30 HHEDLO CC(C)[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000228646651 970126658 /nfs/dbraw/zinc/12/66/58/970126658.db2.gz JEGSBTRABZKNCN-QWQRMKEZSA-N 1 2 413.440 3.572 20 30 HHEDLO CC(C)[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000228646651 970126662 /nfs/dbraw/zinc/12/66/62/970126662.db2.gz JEGSBTRABZKNCN-QWQRMKEZSA-N 1 2 413.440 3.572 20 30 HHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)n2)C1 ZINC000554532903 1013972418 /nfs/dbraw/zinc/97/24/18/1013972418.db2.gz WQEOGRCVTBEZJA-KRWDZBQOSA-N 1 2 424.574 3.859 20 30 HHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)n2)C1 ZINC000554532903 1013972422 /nfs/dbraw/zinc/97/24/22/1013972422.db2.gz WQEOGRCVTBEZJA-KRWDZBQOSA-N 1 2 424.574 3.859 20 30 HHEDLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000328606326 972766850 /nfs/dbraw/zinc/76/68/50/972766850.db2.gz RCEOHFVNYBROLU-HUUCEWRRSA-N 1 2 403.527 3.587 20 30 HHEDLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000328606326 972766860 /nfs/dbraw/zinc/76/68/60/972766860.db2.gz RCEOHFVNYBROLU-HUUCEWRRSA-N 1 2 403.527 3.587 20 30 HHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389962100 972819200 /nfs/dbraw/zinc/81/92/00/972819200.db2.gz IYGMNYQOVOLBSC-UHFFFAOYSA-N 1 2 410.315 3.996 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)c(C#N)c1C ZINC000554829461 1014064502 /nfs/dbraw/zinc/06/45/02/1014064502.db2.gz MURVNBCCDPTODY-OAHLLOKOSA-N 1 2 410.493 3.761 20 30 HHEDLO Cc1nc(SCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C#N)c(C)c1C ZINC000410276874 973797248 /nfs/dbraw/zinc/79/72/48/973797248.db2.gz TWHHNRWDIIPGPM-GOSISDBHSA-N 1 2 423.586 3.910 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000410309908 973850757 /nfs/dbraw/zinc/85/07/57/973850757.db2.gz FAOMJJDOJZLHEC-UHFFFAOYSA-N 1 2 422.529 3.818 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426211864 974316010 /nfs/dbraw/zinc/31/60/10/974316010.db2.gz WATSYUAETCGDBN-HUUCEWRRSA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000426211864 974316016 /nfs/dbraw/zinc/31/60/16/974316016.db2.gz WATSYUAETCGDBN-HUUCEWRRSA-N 1 2 417.575 3.879 20 30 HHEDLO CCC[N@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)Cc1ccc(C#N)cc1 ZINC000426405707 974435252 /nfs/dbraw/zinc/43/52/52/974435252.db2.gz NDZJZKRKJIGFJI-UHFFFAOYSA-N 1 2 407.543 3.805 20 30 HHEDLO CCC[N@@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)Cc1ccc(C#N)cc1 ZINC000426405707 974435259 /nfs/dbraw/zinc/43/52/59/974435259.db2.gz NDZJZKRKJIGFJI-UHFFFAOYSA-N 1 2 407.543 3.805 20 30 HHEDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000426808109 974675817 /nfs/dbraw/zinc/67/58/17/974675817.db2.gz KSKTYDZLRYQFLO-OAHLLOKOSA-N 1 2 403.935 3.945 20 30 HHEDLO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000426808109 974675819 /nfs/dbraw/zinc/67/58/19/974675819.db2.gz KSKTYDZLRYQFLO-OAHLLOKOSA-N 1 2 403.935 3.945 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)ccc3OC(F)F)C2)nc1 ZINC000428770504 976041999 /nfs/dbraw/zinc/04/19/99/976041999.db2.gz FRDOZEVWAFPNBA-OAHLLOKOSA-N 1 2 424.245 3.970 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Br)ccc3OC(F)F)C2)nc1 ZINC000428770504 976042012 /nfs/dbraw/zinc/04/20/12/976042012.db2.gz FRDOZEVWAFPNBA-OAHLLOKOSA-N 1 2 424.245 3.970 20 30 HHEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000428814405 976093866 /nfs/dbraw/zinc/09/38/66/976093866.db2.gz ROKFERSEDIBPMJ-MFMILTCTSA-N 1 2 420.431 3.779 20 30 HHEDLO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)C[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000428814405 976093878 /nfs/dbraw/zinc/09/38/78/976093878.db2.gz ROKFERSEDIBPMJ-MFMILTCTSA-N 1 2 420.431 3.779 20 30 HHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000429504566 976760376 /nfs/dbraw/zinc/76/03/76/976760376.db2.gz NDKWIJGJDABVPP-UHFFFAOYSA-N 1 2 400.482 3.942 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430321180 977474674 /nfs/dbraw/zinc/47/46/74/977474674.db2.gz BTSKLVLWRPXHPU-UHFFFAOYSA-N 1 2 417.538 3.776 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430321180 977474676 /nfs/dbraw/zinc/47/46/76/977474676.db2.gz BTSKLVLWRPXHPU-UHFFFAOYSA-N 1 2 417.538 3.776 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1C#N ZINC000431605598 978379819 /nfs/dbraw/zinc/37/98/19/978379819.db2.gz SJKXNYPBRDXAOW-OAQYLSRUSA-N 1 2 421.545 3.969 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1C#N ZINC000431605598 978379828 /nfs/dbraw/zinc/37/98/28/978379828.db2.gz SJKXNYPBRDXAOW-OAQYLSRUSA-N 1 2 421.545 3.969 20 30 HHEDLO N#Cc1cnc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c(Cl)c1 ZINC000432574211 978895753 /nfs/dbraw/zinc/89/57/53/978895753.db2.gz OYBCMCHYXRLOKV-INIZCTEOSA-N 1 2 407.276 3.966 20 30 HHEDLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)N(C)CCC#N ZINC000434525628 980228047 /nfs/dbraw/zinc/22/80/47/980228047.db2.gz GXDBHOUXIHFIIV-HUUCEWRRSA-N 1 2 412.456 3.505 20 30 HHEDLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)N(C)CCC#N ZINC000434525628 980228052 /nfs/dbraw/zinc/22/80/52/980228052.db2.gz GXDBHOUXIHFIIV-HUUCEWRRSA-N 1 2 412.456 3.505 20 30 HHEDLO N#CCCCn1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc21 ZINC000434724526 980358589 /nfs/dbraw/zinc/35/85/89/980358589.db2.gz FJPRHKOZFWGCES-NRFANRHFSA-N 1 2 416.525 3.576 20 30 HHEDLO N#CCCCn1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc21 ZINC000434724526 980358595 /nfs/dbraw/zinc/35/85/95/980358595.db2.gz FJPRHKOZFWGCES-NRFANRHFSA-N 1 2 416.525 3.576 20 30 HHEDLO CC[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(F)(F)F)cs1 ZINC000434881254 980465555 /nfs/dbraw/zinc/46/55/55/980465555.db2.gz UAVNRJSJLYITJB-GHMZBOCLSA-N 1 2 400.451 3.941 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1C ZINC000435890027 981078998 /nfs/dbraw/zinc/07/89/98/981078998.db2.gz RHLVLHWFSSKFQY-GCJKJVERSA-N 1 2 402.560 3.546 20 30 HHEDLO Cc1cc(Br)cn2c(CN3CCC[C@@]4(CCCCO4)[C@H]3C#N)c[nH+]c12 ZINC000448269813 981664350 /nfs/dbraw/zinc/66/43/50/981664350.db2.gz BRYVTSCWQSAXIE-MJGOQNOKSA-N 1 2 403.324 3.833 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(Oc3ccccn3)CC2)ccc1Cl ZINC000437886416 982436956 /nfs/dbraw/zinc/43/69/56/982436956.db2.gz FHTQGILOOFNCGL-UHFFFAOYSA-N 1 2 412.921 3.834 20 30 HHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)Cc1ccccn1 ZINC000438549706 982888582 /nfs/dbraw/zinc/88/85/82/982888582.db2.gz WSMLHUHOCPALIJ-UHFFFAOYSA-N 1 2 405.477 3.961 20 30 HHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)Cc1ccccn1 ZINC000438549706 982888591 /nfs/dbraw/zinc/88/85/91/982888591.db2.gz WSMLHUHOCPALIJ-UHFFFAOYSA-N 1 2 405.477 3.961 20 30 HHEDLO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000438671312 982989958 /nfs/dbraw/zinc/98/99/58/982989958.db2.gz YKBSTARLVJYDHJ-HOTGVXAUSA-N 1 2 412.465 3.720 20 30 HHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)n2)C1 ZINC000461402677 983072051 /nfs/dbraw/zinc/07/20/51/983072051.db2.gz WRTLNJSXYUKNRI-OAHLLOKOSA-N 1 2 411.531 3.542 20 30 HHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)n2)C1 ZINC000461402677 983072055 /nfs/dbraw/zinc/07/20/55/983072055.db2.gz WRTLNJSXYUKNRI-OAHLLOKOSA-N 1 2 411.531 3.542 20 30 HHEDLO Cc1cc(C#N)nc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000439101134 983250242 /nfs/dbraw/zinc/25/02/42/983250242.db2.gz QEVXNXNMTIDVJQ-UHFFFAOYSA-N 1 2 405.452 3.847 20 30 HHEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000439104424 983251366 /nfs/dbraw/zinc/25/13/66/983251366.db2.gz COIMZIYLDDHTJQ-SFHVURJKSA-N 1 2 424.526 3.671 20 30 HHEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000439104423 983251402 /nfs/dbraw/zinc/25/14/02/983251402.db2.gz COIMZIYLDDHTJQ-GOSISDBHSA-N 1 2 424.526 3.671 20 30 HHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000439812208 983547641 /nfs/dbraw/zinc/54/76/41/983547641.db2.gz SOKBSPHSAPLJQT-QRWLVFNGSA-N 1 2 411.937 3.683 20 30 HHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000439812208 983547642 /nfs/dbraw/zinc/54/76/42/983547642.db2.gz SOKBSPHSAPLJQT-QRWLVFNGSA-N 1 2 411.937 3.683 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440237812 983692153 /nfs/dbraw/zinc/69/21/53/983692153.db2.gz GWQHDILBKIANHB-XUZZJYLKSA-N 1 2 420.557 3.964 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000440988576 984013631 /nfs/dbraw/zinc/01/36/31/984013631.db2.gz MNXGZCIPVKZMJC-AGZDIEPXSA-N 1 2 408.468 3.868 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000440988576 984013640 /nfs/dbraw/zinc/01/36/40/984013640.db2.gz MNXGZCIPVKZMJC-AGZDIEPXSA-N 1 2 408.468 3.868 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442047058 984610032 /nfs/dbraw/zinc/61/00/32/984610032.db2.gz HVIOCPDMDJHDPB-CQSZACIVSA-N 1 2 419.407 3.763 20 30 HHEDLO C=CCc1cc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc(OC)c1O ZINC000468475499 986170234 /nfs/dbraw/zinc/17/02/34/986170234.db2.gz NBTOVBJWNMFMKY-SFHVURJKSA-N 1 2 419.319 3.550 20 30 HHEDLO C=CCc1cc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc(OC)c1O ZINC000468475499 986170235 /nfs/dbraw/zinc/17/02/35/986170235.db2.gz NBTOVBJWNMFMKY-SFHVURJKSA-N 1 2 419.319 3.550 20 30 HHEDLO C[C@@H](c1ccccc1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000463234523 986202865 /nfs/dbraw/zinc/20/28/65/986202865.db2.gz KMRNWYZQZAGOFK-IBGZPJMESA-N 1 2 405.523 3.990 20 30 HHEDLO C[C@@H](c1ccccc1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000463234523 986202872 /nfs/dbraw/zinc/20/28/72/986202872.db2.gz KMRNWYZQZAGOFK-IBGZPJMESA-N 1 2 405.523 3.990 20 30 HHEDLO Cc1cc(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1-c1nccs1 ZINC000444049826 986247447 /nfs/dbraw/zinc/24/74/47/986247447.db2.gz NINYSPIFTAGENB-UHFFFAOYSA-N 1 2 419.554 3.817 20 30 HHEDLO Cc1cc(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1-c1nccs1 ZINC000444049826 986247462 /nfs/dbraw/zinc/24/74/62/986247462.db2.gz NINYSPIFTAGENB-UHFFFAOYSA-N 1 2 419.554 3.817 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463359310 986325073 /nfs/dbraw/zinc/32/50/73/986325073.db2.gz GXJKPHXPXQZAAX-JPYJTQIMSA-N 1 2 409.555 3.513 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463359310 986325079 /nfs/dbraw/zinc/32/50/79/986325079.db2.gz GXJKPHXPXQZAAX-JPYJTQIMSA-N 1 2 409.555 3.513 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463359309 986325159 /nfs/dbraw/zinc/32/51/59/986325159.db2.gz GXJKPHXPXQZAAX-FDDCHVKYSA-N 1 2 409.555 3.513 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463359309 986325167 /nfs/dbraw/zinc/32/51/67/986325167.db2.gz GXJKPHXPXQZAAX-FDDCHVKYSA-N 1 2 409.555 3.513 20 30 HHEDLO C=CCOc1ccc(C[N@H+]2CCCN(Cc3ccc(OC)cc3)C(=O)C2)cc1OC ZINC000468682016 986392663 /nfs/dbraw/zinc/39/26/63/986392663.db2.gz VJDJHRRAVBVSFD-UHFFFAOYSA-N 1 2 410.514 3.503 20 30 HHEDLO C=CCOc1ccc(C[N@@H+]2CCCN(Cc3ccc(OC)cc3)C(=O)C2)cc1OC ZINC000468682016 986392668 /nfs/dbraw/zinc/39/26/68/986392668.db2.gz VJDJHRRAVBVSFD-UHFFFAOYSA-N 1 2 410.514 3.503 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCC(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000445769596 987832692 /nfs/dbraw/zinc/83/26/92/987832692.db2.gz RPTFLZACODSJDM-UHFFFAOYSA-N 1 2 411.452 3.534 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCC(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000445769596 987832695 /nfs/dbraw/zinc/83/26/95/987832695.db2.gz RPTFLZACODSJDM-UHFFFAOYSA-N 1 2 411.452 3.534 20 30 HHEDLO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000463845940 987950106 /nfs/dbraw/zinc/95/01/06/987950106.db2.gz JPSNMPMUAMTIDF-SJORKVTESA-N 1 2 413.946 3.616 20 30 HHEDLO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000463845940 987950113 /nfs/dbraw/zinc/95/01/13/987950113.db2.gz JPSNMPMUAMTIDF-SJORKVTESA-N 1 2 413.946 3.616 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCO1 ZINC000470432143 988398882 /nfs/dbraw/zinc/39/88/82/988398882.db2.gz CAAGOAYWFIPHOQ-IBGZPJMESA-N 1 2 413.905 3.845 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCO1 ZINC000470432143 988398892 /nfs/dbraw/zinc/39/88/92/988398892.db2.gz CAAGOAYWFIPHOQ-IBGZPJMESA-N 1 2 413.905 3.845 20 30 HHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[N@@H+]1CCO[C@H](C)C1 ZINC000470455084 988437263 /nfs/dbraw/zinc/43/72/63/988437263.db2.gz HRPWWLWHMGOMNJ-OAHLLOKOSA-N 1 2 408.955 3.509 20 30 HHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[N@H+]1CCO[C@H](C)C1 ZINC000470455084 988437267 /nfs/dbraw/zinc/43/72/67/988437267.db2.gz HRPWWLWHMGOMNJ-OAHLLOKOSA-N 1 2 408.955 3.509 20 30 HHEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000471001433 989068481 /nfs/dbraw/zinc/06/84/81/989068481.db2.gz PEHBDQXSFBQESI-HSZRJFAPSA-N 1 2 405.933 3.967 20 30 HHEDLO CCCCOC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000464853988 989106945 /nfs/dbraw/zinc/10/69/45/989106945.db2.gz PDKDUZKYECXSTE-UHFFFAOYSA-N 1 2 412.534 3.838 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000465623149 990008641 /nfs/dbraw/zinc/00/86/41/990008641.db2.gz BZSQFARJIXCURS-BJKOFHAPSA-N 1 2 418.541 3.500 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471935457 990100905 /nfs/dbraw/zinc/10/09/05/990100905.db2.gz SAXWMIXYPHNHKO-HKUYNNGSSA-N 1 2 418.904 3.855 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)n(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471935457 990100908 /nfs/dbraw/zinc/10/09/08/990100908.db2.gz SAXWMIXYPHNHKO-HKUYNNGSSA-N 1 2 418.904 3.855 20 30 HHEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1cccc(Cl)c1 ZINC000466174564 991366703 /nfs/dbraw/zinc/36/67/03/991366703.db2.gz BSQFSPXWDFUTKW-QGZVFWFLSA-N 1 2 412.921 3.506 20 30 HHEDLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 ZINC000467115878 992429782 /nfs/dbraw/zinc/42/97/82/992429782.db2.gz FENICHNSKGVDSF-PXNSSMCTSA-N 1 2 411.502 3.907 20 30 HHEDLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 ZINC000467115878 992429784 /nfs/dbraw/zinc/42/97/84/992429784.db2.gz FENICHNSKGVDSF-PXNSSMCTSA-N 1 2 411.502 3.907 20 30 HHEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000472092632 993142498 /nfs/dbraw/zinc/14/24/98/993142498.db2.gz DICYBSDJEFFHLM-FPOVZHCZSA-N 1 2 424.907 3.814 20 30 HHEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000472092632 993142505 /nfs/dbraw/zinc/14/25/05/993142505.db2.gz DICYBSDJEFFHLM-FPOVZHCZSA-N 1 2 424.907 3.814 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472308933 993320550 /nfs/dbraw/zinc/32/05/50/993320550.db2.gz BVYCLRQZWRGWOS-UZLBHIALSA-N 1 2 418.419 3.941 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472308933 993320555 /nfs/dbraw/zinc/32/05/55/993320555.db2.gz BVYCLRQZWRGWOS-UZLBHIALSA-N 1 2 418.419 3.941 20 30 HHEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472329510 993338272 /nfs/dbraw/zinc/33/82/72/993338272.db2.gz SSIVVIIFYBTALE-OPAMFIHVSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472329510 993338277 /nfs/dbraw/zinc/33/82/77/993338277.db2.gz SSIVVIIFYBTALE-OPAMFIHVSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000472760300 993699399 /nfs/dbraw/zinc/69/93/99/993699399.db2.gz UQQTVNSVWVXXRS-HXUWFJFHSA-N 1 2 413.525 3.692 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000481151576 993985875 /nfs/dbraw/zinc/98/58/75/993985875.db2.gz FTMCJXLWCAHTIH-SFHVURJKSA-N 1 2 420.542 3.826 20 30 HHEDLO C=C(C)C[N@@H+](C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000481249570 994075838 /nfs/dbraw/zinc/07/58/38/994075838.db2.gz AZVMZCLHJXDPEV-UHFFFAOYSA-N 1 2 401.102 3.868 20 30 HHEDLO C=C(C)C[N@H+](C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000481249570 994075849 /nfs/dbraw/zinc/07/58/49/994075849.db2.gz AZVMZCLHJXDPEV-UHFFFAOYSA-N 1 2 401.102 3.868 20 30 HHEDLO C=C(C)Cn1c(SCC(=O)N2CC[N@@H+](C)Cc3ccccc32)nnc1-c1ccco1 ZINC000481439841 994275486 /nfs/dbraw/zinc/27/54/86/994275486.db2.gz SSBOLMSVRMRQCC-UHFFFAOYSA-N 1 2 423.542 3.685 20 30 HHEDLO C=C(C)Cn1c(SCC(=O)N2CC[N@H+](C)Cc3ccccc32)nnc1-c1ccco1 ZINC000481439841 994275497 /nfs/dbraw/zinc/27/54/97/994275497.db2.gz SSBOLMSVRMRQCC-UHFFFAOYSA-N 1 2 423.542 3.685 20 30 HHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000473560506 994425603 /nfs/dbraw/zinc/42/56/03/994425603.db2.gz JVPWLKFFYRKWKM-QFIPXVFZSA-N 1 2 419.916 3.607 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481709893 994571765 /nfs/dbraw/zinc/57/17/65/994571765.db2.gz BCQORNJPAGMVOV-CMJOXMDJSA-N 1 2 407.539 3.957 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481709893 994571774 /nfs/dbraw/zinc/57/17/74/994571774.db2.gz BCQORNJPAGMVOV-CMJOXMDJSA-N 1 2 407.539 3.957 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000473967708 994949616 /nfs/dbraw/zinc/94/96/16/994949616.db2.gz GRYBLKRPCITQGP-FCHUYYIVSA-N 1 2 415.497 3.849 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000474696685 995637981 /nfs/dbraw/zinc/63/79/81/995637981.db2.gz HZLSYBZGGCNZHL-MRXNPFEDSA-N 1 2 419.229 3.767 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)cc1OC ZINC000475361821 996090606 /nfs/dbraw/zinc/09/06/06/996090606.db2.gz KOQLZPIIPAGULV-HIFRSBDPSA-N 1 2 412.324 3.654 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)cc1OC ZINC000475361821 996090611 /nfs/dbraw/zinc/09/06/11/996090611.db2.gz KOQLZPIIPAGULV-HIFRSBDPSA-N 1 2 412.324 3.654 20 30 HHEDLO CC(C)n1cc2cc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2n1 ZINC000475382712 996103153 /nfs/dbraw/zinc/10/31/53/996103153.db2.gz WLBDANLAUJFCKZ-UHFFFAOYSA-N 1 2 402.502 3.839 20 30 HHEDLO C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)Cc1cc(C#N)ccc1F ZINC000475571975 996224759 /nfs/dbraw/zinc/22/47/59/996224759.db2.gz IBVWPMZUSQERID-UHFFFAOYSA-N 1 2 418.310 3.928 20 30 HHEDLO C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)Cc1cc(C#N)ccc1F ZINC000475571975 996224762 /nfs/dbraw/zinc/22/47/62/996224762.db2.gz IBVWPMZUSQERID-UHFFFAOYSA-N 1 2 418.310 3.928 20 30 HHEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000476530308 997019389 /nfs/dbraw/zinc/01/93/89/997019389.db2.gz FROPCGIYDRHNGM-SJLPKXTDSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000476530308 997019396 /nfs/dbraw/zinc/01/93/96/997019396.db2.gz FROPCGIYDRHNGM-SJLPKXTDSA-N 1 2 410.326 3.589 20 30 HHEDLO C=C(C)[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000476741602 997293032 /nfs/dbraw/zinc/29/30/32/997293032.db2.gz FVTKSFYYZFSKFN-QFIPXVFZSA-N 1 2 415.484 3.914 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)C2 ZINC000477119278 997774848 /nfs/dbraw/zinc/77/48/48/997774848.db2.gz HNBJBTCIJOHKJH-MRXNPFEDSA-N 1 2 411.937 3.512 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)CC2 ZINC000477119278 997774855 /nfs/dbraw/zinc/77/48/55/997774855.db2.gz HNBJBTCIJOHKJH-MRXNPFEDSA-N 1 2 411.937 3.512 20 30 HHEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000485975888 998417148 /nfs/dbraw/zinc/41/71/48/998417148.db2.gz FWKXXFMNHIKAAP-LBPRGKRZSA-N 1 2 407.927 3.869 20 30 HHEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000485975888 998417153 /nfs/dbraw/zinc/41/71/53/998417153.db2.gz FWKXXFMNHIKAAP-LBPRGKRZSA-N 1 2 407.927 3.869 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(c3cc(C)cc[nH+]3)CC2)c1C#N ZINC000486243117 998671476 /nfs/dbraw/zinc/67/14/76/998671476.db2.gz JBQBFBAQBCPHEE-UHFFFAOYSA-N 1 2 420.561 3.556 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000478397426 998936650 /nfs/dbraw/zinc/93/66/50/998936650.db2.gz MFAJVUPZFPXAMA-QGZVFWFLSA-N 1 2 416.447 3.540 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000479196509 999321607 /nfs/dbraw/zinc/32/16/07/999321607.db2.gz SSKFWCCVGQRBKW-UHFFFAOYSA-N 1 2 407.518 3.835 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488978786 999662982 /nfs/dbraw/zinc/66/29/82/999662982.db2.gz JWCZXTHBFBGIIA-VQIMIIECSA-N 1 2 414.456 3.538 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488978786 999662983 /nfs/dbraw/zinc/66/29/83/999662983.db2.gz JWCZXTHBFBGIIA-VQIMIIECSA-N 1 2 414.456 3.538 20 30 HHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000480181310 999738219 /nfs/dbraw/zinc/73/82/19/999738219.db2.gz KXIOITNIYJVDLV-UHFFFAOYSA-N 1 2 422.529 3.564 20 30 HHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000480181310 999738221 /nfs/dbraw/zinc/73/82/21/999738221.db2.gz KXIOITNIYJVDLV-UHFFFAOYSA-N 1 2 422.529 3.564 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)no1 ZINC000480210959 999746420 /nfs/dbraw/zinc/74/64/20/999746420.db2.gz AKDSTCLRIWXKLG-SFHVURJKSA-N 1 2 408.481 3.736 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)no1 ZINC000480210959 999746422 /nfs/dbraw/zinc/74/64/22/999746422.db2.gz AKDSTCLRIWXKLG-SFHVURJKSA-N 1 2 408.481 3.736 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)no1 ZINC000480213301 999747030 /nfs/dbraw/zinc/74/70/30/999747030.db2.gz JYCYYFMEBVMHQB-QGZVFWFLSA-N 1 2 410.909 3.942 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)no1 ZINC000480213301 999747033 /nfs/dbraw/zinc/74/70/33/999747033.db2.gz JYCYYFMEBVMHQB-QGZVFWFLSA-N 1 2 410.909 3.942 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)no1 ZINC000480217641 999748066 /nfs/dbraw/zinc/74/80/66/999748066.db2.gz BXJOKYVLLCASHN-IBGZPJMESA-N 1 2 408.550 3.750 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)no1 ZINC000480217641 999748067 /nfs/dbraw/zinc/74/80/67/999748067.db2.gz BXJOKYVLLCASHN-IBGZPJMESA-N 1 2 408.550 3.750 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000489534385 999786387 /nfs/dbraw/zinc/78/63/87/999786387.db2.gz CCODAPFRWONQID-VQTJNVASSA-N 1 2 400.885 3.592 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000489534385 999786389 /nfs/dbraw/zinc/78/63/89/999786389.db2.gz CCODAPFRWONQID-VQTJNVASSA-N 1 2 400.885 3.592 20 30 HHEDLO C=CC[NH+]1CCC(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)cc2F)CC1 ZINC000491043051 1000038688 /nfs/dbraw/zinc/03/86/88/1000038688.db2.gz YRFRJGRJFMRTRI-QFIPXVFZSA-N 1 2 420.525 3.698 20 30 HHEDLO Cn1cc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491140717 1000049537 /nfs/dbraw/zinc/04/95/37/1000049537.db2.gz JMKZHYCJLAEERE-UHFFFAOYSA-N 1 2 419.916 3.570 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1C ZINC000505287735 1000673160 /nfs/dbraw/zinc/67/31/60/1000673160.db2.gz OEDHDJFWPIFPGT-UHFFFAOYSA-N 1 2 409.534 3.936 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000494949043 1000747793 /nfs/dbraw/zinc/74/77/93/1000747793.db2.gz LETRMJONGQFQQL-XBBWARJSSA-N 1 2 411.571 3.808 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000494949043 1000747795 /nfs/dbraw/zinc/74/77/95/1000747795.db2.gz LETRMJONGQFQQL-XBBWARJSSA-N 1 2 411.571 3.808 20 30 HHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)c1 ZINC000505513330 1000851509 /nfs/dbraw/zinc/85/15/09/1000851509.db2.gz NIXKFROCOBAMIB-SFHVURJKSA-N 1 2 409.555 3.705 20 30 HHEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505541279 1000889041 /nfs/dbraw/zinc/88/90/41/1000889041.db2.gz WSPHEKZMGDGLCJ-MSOLQXFVSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505541279 1000889045 /nfs/dbraw/zinc/88/90/45/1000889045.db2.gz WSPHEKZMGDGLCJ-MSOLQXFVSA-N 1 2 404.297 3.575 20 30 HHEDLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[NH2+]1 ZINC000505548991 1000894525 /nfs/dbraw/zinc/89/45/25/1000894525.db2.gz HPQAFLCTMJFRBC-OAQYLSRUSA-N 1 2 414.465 3.541 20 30 HHEDLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)n2)c1 ZINC000506135832 1001241895 /nfs/dbraw/zinc/24/18/95/1001241895.db2.gz NRLLBMGUPUBKDZ-UHFFFAOYSA-N 1 2 422.510 3.769 20 30 HHEDLO COc1ccc(OC)c(-c2csc(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)n2)c1 ZINC000506135832 1001241903 /nfs/dbraw/zinc/24/19/03/1001241903.db2.gz NRLLBMGUPUBKDZ-UHFFFAOYSA-N 1 2 422.510 3.769 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507227818 1001914119 /nfs/dbraw/zinc/91/41/19/1001914119.db2.gz DPTUHRXLFCIPES-WZONZLPQSA-N 1 2 407.514 3.576 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507227818 1001914111 /nfs/dbraw/zinc/91/41/11/1001914111.db2.gz DPTUHRXLFCIPES-WZONZLPQSA-N 1 2 407.514 3.576 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 ZINC000498585249 1001997176 /nfs/dbraw/zinc/99/71/76/1001997176.db2.gz WHEYGFKDIKTKOU-NHCUHLMSSA-N 1 2 424.342 3.769 20 30 HHEDLO CCOc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1OCC ZINC000507832945 1002374796 /nfs/dbraw/zinc/37/47/96/1002374796.db2.gz ILKZDKBSSMEKGZ-UHFFFAOYSA-N 1 2 423.513 3.838 20 30 HHEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000499020417 1002396571 /nfs/dbraw/zinc/39/65/71/1002396571.db2.gz JSVAJCVVCJFUAH-UZLBHIALSA-N 1 2 413.543 3.551 20 30 HHEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000499020417 1002396582 /nfs/dbraw/zinc/39/65/82/1002396582.db2.gz JSVAJCVVCJFUAH-UZLBHIALSA-N 1 2 413.543 3.551 20 30 HHEDLO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000499078522 1002464213 /nfs/dbraw/zinc/46/42/13/1002464213.db2.gz UHRLPMWFGBDVMV-RVHYNSKXSA-N 1 2 412.921 3.644 20 30 HHEDLO C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000499078522 1002464217 /nfs/dbraw/zinc/46/42/17/1002464217.db2.gz UHRLPMWFGBDVMV-RVHYNSKXSA-N 1 2 412.921 3.644 20 30 HHEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508729983 1003169235 /nfs/dbraw/zinc/16/92/35/1003169235.db2.gz LNHMJWSWDRUOSF-UHFFFAOYSA-N 1 2 400.939 3.563 20 30 HHEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Br)cc1 ZINC000499923027 1003250020 /nfs/dbraw/zinc/25/00/20/1003250020.db2.gz BBUYHDJBHNYHNR-INIZCTEOSA-N 1 2 412.331 3.769 20 30 HHEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000508831737 1003253640 /nfs/dbraw/zinc/25/36/40/1003253640.db2.gz GKJNRALFMVXIKY-OAHLLOKOSA-N 1 2 416.367 3.987 20 30 HHEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ncc(I)s2)cc1 ZINC000511998072 1003943856 /nfs/dbraw/zinc/94/38/56/1003943856.db2.gz YGUNHKPAYVUPGV-UHFFFAOYSA-N 1 2 422.213 3.908 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000512151018 1004060148 /nfs/dbraw/zinc/06/01/48/1004060148.db2.gz BFFLNXGOYWGLOY-IBGZPJMESA-N 1 2 424.419 3.854 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000512151018 1004060158 /nfs/dbraw/zinc/06/01/58/1004060158.db2.gz BFFLNXGOYWGLOY-IBGZPJMESA-N 1 2 424.419 3.854 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(SC)cc1OC ZINC000512230429 1004130818 /nfs/dbraw/zinc/13/08/18/1004130818.db2.gz TZOQZRWTDNNWQH-UHFFFAOYSA-N 1 2 401.507 3.759 20 30 HHEDLO Cc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)s1 ZINC000501062248 1004164499 /nfs/dbraw/zinc/16/44/99/1004164499.db2.gz ICCWVMMMBDYMGZ-KRWDZBQOSA-N 1 2 405.365 3.905 20 30 HHEDLO Cc1nc2ccccn2c1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501062537 1004164688 /nfs/dbraw/zinc/16/46/88/1004164688.db2.gz JNQMCOHFODTPHT-LJQANCHMSA-N 1 2 424.346 3.788 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000501121415 1004218775 /nfs/dbraw/zinc/21/87/75/1004218775.db2.gz NZYPNCTVMLHWES-RTWAWAEBSA-N 1 2 419.472 3.583 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000501121415 1004218792 /nfs/dbraw/zinc/21/87/92/1004218792.db2.gz NZYPNCTVMLHWES-RTWAWAEBSA-N 1 2 419.472 3.583 20 30 HHEDLO CCN(CC)c1ncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)s1 ZINC000512475938 1004329844 /nfs/dbraw/zinc/32/98/44/1004329844.db2.gz WNAHVTPWIGRZEU-UHFFFAOYSA-N 1 2 406.559 3.731 20 30 HHEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000501407440 1004398879 /nfs/dbraw/zinc/39/88/79/1004398879.db2.gz DBTLYUPVDZYRAZ-QGZVFWFLSA-N 1 2 413.275 3.536 20 30 HHEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](CO)c1cccc(Br)c1 ZINC000501407440 1004398887 /nfs/dbraw/zinc/39/88/87/1004398887.db2.gz DBTLYUPVDZYRAZ-QGZVFWFLSA-N 1 2 413.275 3.536 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c1C ZINC000501547967 1004506884 /nfs/dbraw/zinc/50/68/84/1004506884.db2.gz WXRAWQYHKMRLSN-UHFFFAOYSA-N 1 2 404.558 3.989 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)NCc3ccc(Cl)s3)CC2)c(F)c1 ZINC000512800995 1004567092 /nfs/dbraw/zinc/56/70/92/1004567092.db2.gz IMLKRKUXTQIUFN-UHFFFAOYSA-N 1 2 407.898 3.572 20 30 HHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818371 1004578371 /nfs/dbraw/zinc/57/83/71/1004578371.db2.gz SRHMVDREGUVCIO-INIZCTEOSA-N 1 2 411.477 3.885 20 30 HHEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818472 1004578765 /nfs/dbraw/zinc/57/87/65/1004578765.db2.gz UNYQOCIBXASROS-INIZCTEOSA-N 1 2 411.477 3.966 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)c(F)c1 ZINC000512829163 1004586974 /nfs/dbraw/zinc/58/69/74/1004586974.db2.gz UKHGNNSTRHZOSD-UHFFFAOYSA-N 1 2 423.404 3.699 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512829784 1004587950 /nfs/dbraw/zinc/58/79/50/1004587950.db2.gz XQDFQTVOHSGILX-GOSISDBHSA-N 1 2 416.472 3.525 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512829784 1004587960 /nfs/dbraw/zinc/58/79/60/1004587960.db2.gz XQDFQTVOHSGILX-GOSISDBHSA-N 1 2 416.472 3.525 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc4c(cc3OC(F)F)OCO4)CC2)c1 ZINC000510539486 1004672509 /nfs/dbraw/zinc/67/25/09/1004672509.db2.gz QSWGQSHCIXQWHP-UHFFFAOYSA-N 1 2 402.397 3.932 20 30 HHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000502530820 1005105199 /nfs/dbraw/zinc/10/51/99/1005105199.db2.gz MJUIVRVBWBFIJN-UHFFFAOYSA-N 1 2 401.514 3.671 20 30 HHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000502530820 1005105206 /nfs/dbraw/zinc/10/52/06/1005105206.db2.gz MJUIVRVBWBFIJN-UHFFFAOYSA-N 1 2 401.514 3.671 20 30 HHEDLO COc1ccc(-c2noc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)c(OC)c1 ZINC000502547575 1005113354 /nfs/dbraw/zinc/11/33/54/1005113354.db2.gz DCFVFOVTLVTKCT-UHFFFAOYSA-N 1 2 402.454 3.915 20 30 HHEDLO COc1ccc(-c2noc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)n2)c(OC)c1 ZINC000502547575 1005113356 /nfs/dbraw/zinc/11/33/56/1005113356.db2.gz DCFVFOVTLVTKCT-UHFFFAOYSA-N 1 2 402.454 3.915 20 30 HHEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548067 1005113399 /nfs/dbraw/zinc/11/33/99/1005113399.db2.gz HPHUDFGOBLAHEH-INIZCTEOSA-N 1 2 418.497 3.642 20 30 HHEDLO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548067 1005113401 /nfs/dbraw/zinc/11/34/01/1005113401.db2.gz HPHUDFGOBLAHEH-INIZCTEOSA-N 1 2 418.497 3.642 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000503969287 1005522410 /nfs/dbraw/zinc/52/24/10/1005522410.db2.gz LFZYMGJSIUINJD-HXUWFJFHSA-N 1 2 410.518 3.762 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000534475377 1006463523 /nfs/dbraw/zinc/46/35/23/1006463523.db2.gz RLIKSSOKEHFQKO-GOSISDBHSA-N 1 2 419.525 3.634 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000534475377 1006463528 /nfs/dbraw/zinc/46/35/28/1006463528.db2.gz RLIKSSOKEHFQKO-GOSISDBHSA-N 1 2 419.525 3.634 20 30 HHEDLO CN(C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)C1(C#N)CCCCC1 ZINC000516197602 1006936382 /nfs/dbraw/zinc/93/63/82/1006936382.db2.gz MEJJYHRHEIJXPW-IEBWSBKVSA-N 1 2 410.345 3.568 20 30 HHEDLO CN(C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)C1(C#N)CCCCC1 ZINC000516197602 1006936389 /nfs/dbraw/zinc/93/63/89/1006936389.db2.gz MEJJYHRHEIJXPW-IEBWSBKVSA-N 1 2 410.345 3.568 20 30 HHEDLO COc1cc(C[N@H+](CC(N)=O)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000532571322 1007003268 /nfs/dbraw/zinc/00/32/68/1007003268.db2.gz JZLDDCYIMUMXSJ-UHFFFAOYSA-N 1 2 415.493 3.633 20 30 HHEDLO COc1cc(C[N@@H+](CC(N)=O)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000532571322 1007003274 /nfs/dbraw/zinc/00/32/74/1007003274.db2.gz JZLDDCYIMUMXSJ-UHFFFAOYSA-N 1 2 415.493 3.633 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000532773404 1007174432 /nfs/dbraw/zinc/17/44/32/1007174432.db2.gz JTLWFGOEUBQWGB-IAGOWNOFSA-N 1 2 411.527 3.649 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000532773404 1007174440 /nfs/dbraw/zinc/17/44/40/1007174440.db2.gz JTLWFGOEUBQWGB-IAGOWNOFSA-N 1 2 411.527 3.649 20 30 HHEDLO CCc1nc2ccccc2n1C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000538956706 1007245673 /nfs/dbraw/zinc/24/56/73/1007245673.db2.gz YHUBZKRIDAUGSU-UHFFFAOYSA-N 1 2 422.554 3.581 20 30 HHEDLO C=C(C)COc1cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)ccc1OC ZINC000533070111 1007432237 /nfs/dbraw/zinc/43/22/37/1007432237.db2.gz LSVJTTDJDGXDGK-QGZVFWFLSA-N 1 2 412.494 3.695 20 30 HHEDLO Cc1ccc(SCCNC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000517134123 1007448038 /nfs/dbraw/zinc/44/80/38/1007448038.db2.gz OPRLVWNGADWUQU-UHFFFAOYSA-N 1 2 409.555 3.618 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000533221259 1007545359 /nfs/dbraw/zinc/54/53/59/1007545359.db2.gz RXMSBHNIGXYSME-HXUWFJFHSA-N 1 2 408.521 3.669 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000533221259 1007545366 /nfs/dbraw/zinc/54/53/66/1007545366.db2.gz RXMSBHNIGXYSME-HXUWFJFHSA-N 1 2 408.521 3.669 20 30 HHEDLO Cc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000533246696 1007565024 /nfs/dbraw/zinc/56/50/24/1007565024.db2.gz ZQMYZPIDEBJQCN-GOSISDBHSA-N 1 2 405.420 3.775 20 30 HHEDLO Cc1cc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000533246696 1007565030 /nfs/dbraw/zinc/56/50/30/1007565030.db2.gz ZQMYZPIDEBJQCN-GOSISDBHSA-N 1 2 405.420 3.775 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1C#N ZINC000533290396 1007602953 /nfs/dbraw/zinc/60/29/53/1007602953.db2.gz HCFGOXHTBQJSMF-GASCZTMLSA-N 1 2 414.550 3.928 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1C#N ZINC000533290396 1007602962 /nfs/dbraw/zinc/60/29/62/1007602962.db2.gz HCFGOXHTBQJSMF-GASCZTMLSA-N 1 2 414.550 3.928 20 30 HHEDLO CS(=O)(=O)c1cccc(Oc2ncccc2C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000533308947 1007624886 /nfs/dbraw/zinc/62/48/86/1007624886.db2.gz QTDFMCAFKWSYRK-UHFFFAOYSA-N 1 2 411.458 3.578 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000533312293 1007627353 /nfs/dbraw/zinc/62/73/53/1007627353.db2.gz PRYJGXFQTUWYDI-MJGOQNOKSA-N 1 2 411.468 3.982 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000533312293 1007627357 /nfs/dbraw/zinc/62/73/57/1007627357.db2.gz PRYJGXFQTUWYDI-MJGOQNOKSA-N 1 2 411.468 3.982 20 30 HHEDLO CC(C)[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1F ZINC000539452301 1007763968 /nfs/dbraw/zinc/76/39/68/1007763968.db2.gz BETOOFKCWABSIP-HXUWFJFHSA-N 1 2 414.550 3.507 20 30 HHEDLO CC(C)[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1F ZINC000539452301 1007763974 /nfs/dbraw/zinc/76/39/74/1007763974.db2.gz BETOOFKCWABSIP-HXUWFJFHSA-N 1 2 414.550 3.507 20 30 HHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000535820628 1007833448 /nfs/dbraw/zinc/83/34/48/1007833448.db2.gz HIVSHSMCLWRTBJ-OAHLLOKOSA-N 1 2 416.510 3.929 20 30 HHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000535820628 1007833459 /nfs/dbraw/zinc/83/34/59/1007833459.db2.gz HIVSHSMCLWRTBJ-OAHLLOKOSA-N 1 2 416.510 3.929 20 30 HHEDLO CCOCC[NH+]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000517672761 1007887513 /nfs/dbraw/zinc/88/75/13/1007887513.db2.gz RXTHOVKUAOMMDI-UHFFFAOYSA-N 1 2 409.555 3.645 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536021910 1008059244 /nfs/dbraw/zinc/05/92/44/1008059244.db2.gz UHFQVZXCTPJDIG-UHFFFAOYSA-N 1 2 407.461 3.646 20 30 HHEDLO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000517968084 1008076423 /nfs/dbraw/zinc/07/64/23/1008076423.db2.gz UDPDOVRZDSOEJA-UHFFFAOYSA-N 1 2 401.466 3.688 20 30 HHEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000518813436 1008429377 /nfs/dbraw/zinc/42/93/77/1008429377.db2.gz RSQNEESVKUQGSZ-UHFFFAOYSA-N 1 2 414.893 3.800 20 30 HHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935481 1008479230 /nfs/dbraw/zinc/47/92/30/1008479230.db2.gz IHXLABKYQJVBAT-BEFAXECRSA-N 1 2 415.896 3.899 20 30 HHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935481 1008479235 /nfs/dbraw/zinc/47/92/35/1008479235.db2.gz IHXLABKYQJVBAT-BEFAXECRSA-N 1 2 415.896 3.899 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000519181051 1008582754 /nfs/dbraw/zinc/58/27/54/1008582754.db2.gz USLOOQRXCLJLJR-MSOLQXFVSA-N 1 2 408.502 3.890 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000519181052 1008582962 /nfs/dbraw/zinc/58/29/62/1008582962.db2.gz USLOOQRXCLJLJR-QZTJIDSGSA-N 1 2 408.502 3.890 20 30 HHEDLO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(C(C)(C)C)no1 ZINC000543537894 1009129319 /nfs/dbraw/zinc/12/93/19/1009129319.db2.gz QXJDSJLMIWLSDM-LBPRGKRZSA-N 1 2 401.536 3.858 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543541567 1009135024 /nfs/dbraw/zinc/13/50/24/1009135024.db2.gz DERVNBVFHAVKNW-UONOGXRCSA-N 1 2 419.323 3.739 20 30 HHEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000549678209 1009309706 /nfs/dbraw/zinc/30/97/06/1009309706.db2.gz TXYHCPRRPNILOG-HNNXBMFYSA-N 1 2 404.356 3.808 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543880865 1009454618 /nfs/dbraw/zinc/45/46/18/1009454618.db2.gz XFLTXIHKKXMWCM-AZUAARDMSA-N 1 2 402.420 3.610 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543880865 1009454623 /nfs/dbraw/zinc/45/46/23/1009454623.db2.gz XFLTXIHKKXMWCM-AZUAARDMSA-N 1 2 402.420 3.610 20 30 HHEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000520347936 1009485296 /nfs/dbraw/zinc/48/52/96/1009485296.db2.gz CSRVHAYDRIGPMT-GOSISDBHSA-N 1 2 401.869 3.510 20 30 HHEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000520347936 1009485303 /nfs/dbraw/zinc/48/53/03/1009485303.db2.gz CSRVHAYDRIGPMT-GOSISDBHSA-N 1 2 401.869 3.510 20 30 HHEDLO Cc1ccnc(OC2CC[NH+](CC(=O)c3cn(CCC#N)c4ccccc34)CC2)c1 ZINC000543909372 1009494812 /nfs/dbraw/zinc/49/48/12/1009494812.db2.gz YGHBLBABDZOGAM-UHFFFAOYSA-N 1 2 402.498 3.985 20 30 HHEDLO O=S(=O)(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1Cn1cc[nH+]c1 ZINC000546794865 1009760816 /nfs/dbraw/zinc/76/08/16/1009760816.db2.gz MQEQJDTXQRPSEC-UHFFFAOYSA-N 1 2 414.490 3.527 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000521418552 1010364663 /nfs/dbraw/zinc/36/46/63/1010364663.db2.gz ACVHMOKRBABJQI-MOPGFXCFSA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000521418552 1010364677 /nfs/dbraw/zinc/36/46/77/1010364677.db2.gz ACVHMOKRBABJQI-MOPGFXCFSA-N 1 2 402.857 3.544 20 30 HHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000548755366 1010723862 /nfs/dbraw/zinc/72/38/62/1010723862.db2.gz PBTXIKOFEQSTKQ-OAQYLSRUSA-N 1 2 409.921 3.668 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000522093723 1010807456 /nfs/dbraw/zinc/80/74/56/1010807456.db2.gz MRUUBPGNECAYRY-GOSISDBHSA-N 1 2 414.469 3.945 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000536349892 1011556297 /nfs/dbraw/zinc/55/62/97/1011556297.db2.gz LMHCWBVRLLKVPP-WOJBJXKFSA-N 1 2 424.932 3.641 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000536349892 1011556313 /nfs/dbraw/zinc/55/63/13/1011556313.db2.gz LMHCWBVRLLKVPP-WOJBJXKFSA-N 1 2 424.932 3.641 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)o2)c1 ZINC000541129186 1011787322 /nfs/dbraw/zinc/78/73/22/1011787322.db2.gz JBZCOQWCZHHXRE-OAHLLOKOSA-N 1 2 402.380 3.661 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)o2)c1 ZINC000541129186 1011787332 /nfs/dbraw/zinc/78/73/32/1011787332.db2.gz JBZCOQWCZHHXRE-OAHLLOKOSA-N 1 2 402.380 3.661 20 30 HHEDLO N#CCCN(C(=O)CCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000552035343 1012059554 /nfs/dbraw/zinc/05/95/54/1012059554.db2.gz ULWCYVWSQHGFEQ-MXVIHJGJSA-N 1 2 419.529 3.648 20 30 HHEDLO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000552191690 1012204508 /nfs/dbraw/zinc/20/45/08/1012204508.db2.gz OOPQMTLAOFFYCI-JPYJTQIMSA-N 1 2 402.546 3.642 20 30 HHEDLO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000552191690 1012204526 /nfs/dbraw/zinc/20/45/26/1012204526.db2.gz OOPQMTLAOFFYCI-JPYJTQIMSA-N 1 2 402.546 3.642 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000541593388 1012385659 /nfs/dbraw/zinc/38/56/59/1012385659.db2.gz GXZCZKFHVDXPFM-RBUKOAKNSA-N 1 2 404.297 3.667 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000541593388 1012385670 /nfs/dbraw/zinc/38/56/70/1012385670.db2.gz GXZCZKFHVDXPFM-RBUKOAKNSA-N 1 2 404.297 3.667 20 30 HHEDLO CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537056507 1012388009 /nfs/dbraw/zinc/38/80/09/1012388009.db2.gz PCZDMFCQWHKOPZ-UHFFFAOYSA-N 1 2 420.513 3.863 20 30 HHEDLO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000537158886 1012555558 /nfs/dbraw/zinc/55/55/58/1012555558.db2.gz UIEMIMWRWOGOAN-AWEZNQCLSA-N 1 2 408.395 3.672 20 30 HHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000537170560 1012574827 /nfs/dbraw/zinc/57/48/27/1012574827.db2.gz DHXGICUFNFHABD-SFHVURJKSA-N 1 2 422.504 3.712 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)n2)c(Cl)c1 ZINC000542034021 1012932766 /nfs/dbraw/zinc/93/27/66/1012932766.db2.gz ZDOHRLWEDKNSTA-UHFFFAOYSA-N 1 2 421.892 3.714 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542046824 1012951754 /nfs/dbraw/zinc/95/17/54/1012951754.db2.gz ZRSVUIICHJNHSI-PZJWPPBQSA-N 1 2 401.432 3.590 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542046824 1012951761 /nfs/dbraw/zinc/95/17/61/1012951761.db2.gz ZRSVUIICHJNHSI-PZJWPPBQSA-N 1 2 401.432 3.590 20 30 HHEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)cn2c1 ZINC000542059150 1012976297 /nfs/dbraw/zinc/97/62/97/1012976297.db2.gz INOJRQMIMNXBFS-UHFFFAOYSA-N 1 2 420.473 3.711 20 30 HHEDLO C=CCc1cc(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000729676357 1071791629 /nfs/dbraw/zinc/79/16/29/1071791629.db2.gz IWZCGLJQALNORM-SFHVURJKSA-N 1 2 419.319 3.511 20 30 HHEDLO C[C@H](c1cccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000571716701 1072709608 /nfs/dbraw/zinc/70/96/08/1072709608.db2.gz GDQRTERINGVJMN-LJQANCHMSA-N 1 2 422.529 3.632 20 30 HHEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000555245599 1073288360 /nfs/dbraw/zinc/28/83/60/1073288360.db2.gz MGORUTAYNKZIDP-UHFFFAOYSA-N 1 2 401.530 3.523 20 30 HHEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000574479404 1075253363 /nfs/dbraw/zinc/25/33/63/1075253363.db2.gz FZSNSZZHIJGPBH-DHIUTWEWSA-N 1 2 417.488 3.648 20 30 HHEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000574479404 1075253365 /nfs/dbraw/zinc/25/33/65/1075253365.db2.gz FZSNSZZHIJGPBH-DHIUTWEWSA-N 1 2 417.488 3.648 20 30 HHEDLO C=CCn1c(N2CCC[N@@H+](Cc3csc([C@H](C)OC)n3)CC2)nnc1C(C)(C)C ZINC000575028785 1075446351 /nfs/dbraw/zinc/44/63/51/1075446351.db2.gz OOVNWTQTAWHJEI-INIZCTEOSA-N 1 2 418.611 3.638 20 30 HHEDLO C=CCn1c(N2CCC[N@H+](Cc3csc([C@H](C)OC)n3)CC2)nnc1C(C)(C)C ZINC000575028785 1075446356 /nfs/dbraw/zinc/44/63/56/1075446356.db2.gz OOVNWTQTAWHJEI-INIZCTEOSA-N 1 2 418.611 3.638 20 30 HHEDLO Cc1ccccc1CN(C)C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000302938602 971406133 /nfs/dbraw/zinc/40/61/33/971406133.db2.gz AOYQUDROWFXXPD-UHFFFAOYSA-N 1 2 417.509 3.870 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(OC)c1 ZINC000303903431 972473447 /nfs/dbraw/zinc/47/34/47/972473447.db2.gz LSMHUILRPXBJDN-UQJUWTFNSA-N 1 2 415.505 3.765 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(OC)c1 ZINC000303903431 972473453 /nfs/dbraw/zinc/47/34/53/972473453.db2.gz LSMHUILRPXBJDN-UQJUWTFNSA-N 1 2 415.505 3.765 20 30 HHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)ccc1OC(F)F ZINC000007976888 961389041 /nfs/dbraw/zinc/38/90/41/961389041.db2.gz LDNFKJCRBMNROH-UHFFFAOYSA-N 1 2 409.820 3.892 20 30 HHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)ccc1OC(F)F ZINC000007976888 961389056 /nfs/dbraw/zinc/38/90/56/961389056.db2.gz LDNFKJCRBMNROH-UHFFFAOYSA-N 1 2 409.820 3.892 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000010762613 961906105 /nfs/dbraw/zinc/90/61/05/961906105.db2.gz XTKGTJCYEGCGSS-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000010762613 961906108 /nfs/dbraw/zinc/90/61/08/961906108.db2.gz XTKGTJCYEGCGSS-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)c1C#N ZINC000012817339 962331045 /nfs/dbraw/zinc/33/10/45/962331045.db2.gz DDSNYGCIHBHMGC-LJQANCHMSA-N 1 2 422.529 3.802 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1C#N ZINC000012817339 962331068 /nfs/dbraw/zinc/33/10/68/962331068.db2.gz DDSNYGCIHBHMGC-LJQANCHMSA-N 1 2 422.529 3.802 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1I)Cc1cccs1 ZINC000019540656 963368518 /nfs/dbraw/zinc/36/85/18/963368518.db2.gz XPCRVYYTRDRJKR-UHFFFAOYSA-N 1 2 412.296 3.979 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1I)Cc1cccs1 ZINC000019540656 963368528 /nfs/dbraw/zinc/36/85/28/963368528.db2.gz XPCRVYYTRDRJKR-UHFFFAOYSA-N 1 2 412.296 3.979 20 30 HHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000023057713 963761863 /nfs/dbraw/zinc/76/18/63/963761863.db2.gz ROONSKCCYFRQEK-QZTJIDSGSA-N 1 2 402.970 3.750 20 30 HHEDLO CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000049984647 964231339 /nfs/dbraw/zinc/23/13/39/964231339.db2.gz KQEBYTODODCBCQ-UHFFFAOYSA-N 1 2 409.555 3.691 20 30 HHEDLO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)C1 ZINC000050997275 964438812 /nfs/dbraw/zinc/43/88/12/964438812.db2.gz OCOYSZKAJQIRTM-SFHVURJKSA-N 1 2 414.575 3.869 20 30 HHEDLO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)C1 ZINC000050997275 964438815 /nfs/dbraw/zinc/43/88/15/964438815.db2.gz OCOYSZKAJQIRTM-SFHVURJKSA-N 1 2 414.575 3.869 20 30 HHEDLO C=CCc1cc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc(OC)c1OC ZINC000051778408 964696258 /nfs/dbraw/zinc/69/62/58/964696258.db2.gz FEUHWMSNENCHSP-UHFFFAOYSA-N 1 2 413.518 3.794 20 30 HHEDLO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1C ZINC000052909666 965017153 /nfs/dbraw/zinc/01/71/53/965017153.db2.gz JGZFCEAYLMQORC-UHFFFAOYSA-N 1 2 414.550 3.539 20 30 HHEDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000542611231 1013546445 /nfs/dbraw/zinc/54/64/45/1013546445.db2.gz IWQVHHDXJOGGAL-LJQANCHMSA-N 1 2 403.548 3.539 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)ccc1Cl ZINC000542614665 1013550908 /nfs/dbraw/zinc/55/09/08/1013550908.db2.gz UJPZSBRXMDYEBH-QGZVFWFLSA-N 1 2 422.920 3.827 20 30 HHEDLO C[C@@H](c1nnc(Sc2ccc(C#N)cc2[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000029001555 965237579 /nfs/dbraw/zinc/23/75/79/965237579.db2.gz KHCDZMQFPXRCFR-LBPRGKRZSA-N 1 2 412.450 3.960 20 30 HHEDLO C=CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccc(OC)cc1 ZINC000054272721 965453296 /nfs/dbraw/zinc/45/32/96/965453296.db2.gz VNBLIKFQHMWEAH-UHFFFAOYSA-N 1 2 408.542 3.548 20 30 HHEDLO C=CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccc(OC)cc1 ZINC000054272721 965453311 /nfs/dbraw/zinc/45/33/11/965453311.db2.gz VNBLIKFQHMWEAH-UHFFFAOYSA-N 1 2 408.542 3.548 20 30 HHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000054537956 965557973 /nfs/dbraw/zinc/55/79/73/965557973.db2.gz DPTZYWUFWOLLPL-UHFFFAOYSA-N 1 2 403.486 3.567 20 30 HHEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)C2)n1 ZINC000054676420 965606093 /nfs/dbraw/zinc/60/60/93/965606093.db2.gz CMKWIBIMFNXSGN-QGZVFWFLSA-N 1 2 410.522 3.601 20 30 HHEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)C2)n1 ZINC000054676420 965606102 /nfs/dbraw/zinc/60/61/02/965606102.db2.gz CMKWIBIMFNXSGN-QGZVFWFLSA-N 1 2 410.522 3.601 20 30 HHEDLO N#Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1OCC(F)(F)F ZINC000058560139 965784577 /nfs/dbraw/zinc/78/45/77/965784577.db2.gz CBKBDSDJYWTVRT-UHFFFAOYSA-N 1 2 419.407 3.816 20 30 HHEDLO N#Cc1cccc(C[NH+]2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)c1 ZINC000055917766 966140756 /nfs/dbraw/zinc/14/07/56/966140756.db2.gz DXZSLFHDEIUANK-UHFFFAOYSA-N 1 2 418.501 3.791 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000056658046 966413175 /nfs/dbraw/zinc/41/31/75/966413175.db2.gz XPAYDNWJMXIXLE-UHFFFAOYSA-N 1 2 419.529 3.686 20 30 HHEDLO COc1cc2c(cc1OC)CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC000553864275 1013664535 /nfs/dbraw/zinc/66/45/35/1013664535.db2.gz SBFCBXGWFFWDJM-UHFFFAOYSA-N 1 2 401.304 3.939 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000063300722 966807399 /nfs/dbraw/zinc/80/73/99/966807399.db2.gz UBQIRXSYIBHJKD-JOCHJYFZSA-N 1 2 417.509 3.681 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000063300722 966807400 /nfs/dbraw/zinc/80/74/00/966807400.db2.gz UBQIRXSYIBHJKD-JOCHJYFZSA-N 1 2 417.509 3.681 20 30 HHEDLO Cc1ccc2[nH+]c(CSCC(=O)NCCSCc3ccccc3C#N)cn2c1 ZINC000042724635 966834373 /nfs/dbraw/zinc/83/43/73/966834373.db2.gz YVBWCDMDDSPACU-UHFFFAOYSA-N 1 2 410.568 3.797 20 30 HHEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccc(Br)cc1C#N)c1cccc(OC)c1 ZINC000553910267 1013694390 /nfs/dbraw/zinc/69/43/90/1013694390.db2.gz KWNZVEQQNKMTIX-HXUWFJFHSA-N 1 2 417.303 3.897 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000553922413 1013703018 /nfs/dbraw/zinc/70/30/18/1013703018.db2.gz BSXLPCDRUYZPKN-CQSZACIVSA-N 1 2 410.396 3.661 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000553922413 1013703027 /nfs/dbraw/zinc/70/30/27/1013703027.db2.gz BSXLPCDRUYZPKN-CQSZACIVSA-N 1 2 410.396 3.661 20 30 HHEDLO COc1ccc(C[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccc(OC)cc2)cc1 ZINC000064809492 967297832 /nfs/dbraw/zinc/29/78/32/967297832.db2.gz OQIJPLNRFWOTMK-DEOSSOPVSA-N 1 2 409.530 3.760 20 30 HHEDLO COc1cc(-c2noc(C[N@H+](C)Cc3ccc(C#N)cc3)n2)ccc1OC(F)F ZINC000046527352 967841771 /nfs/dbraw/zinc/84/17/71/967841771.db2.gz PJIMWVGKBVVDLZ-UHFFFAOYSA-N 1 2 400.385 3.850 20 30 HHEDLO COc1cc(-c2noc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2)ccc1OC(F)F ZINC000046527352 967841785 /nfs/dbraw/zinc/84/17/85/967841785.db2.gz PJIMWVGKBVVDLZ-UHFFFAOYSA-N 1 2 400.385 3.850 20 30 HHEDLO Cc1ccc(Br)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000047570766 968242669 /nfs/dbraw/zinc/24/26/69/968242669.db2.gz XFUBTBMXOHNHMF-UHFFFAOYSA-N 1 2 413.319 3.979 20 30 HHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797854 968316618 /nfs/dbraw/zinc/31/66/18/968316618.db2.gz HBPWQBHUIMKROL-HNNXBMFYSA-N 1 2 403.473 3.591 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000048169624 968468305 /nfs/dbraw/zinc/46/83/05/968468305.db2.gz WAYVGKRTIYYRIL-UHFFFAOYSA-N 1 2 401.466 3.688 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078714788 969012888 /nfs/dbraw/zinc/01/28/88/969012888.db2.gz BQONFGPRFCUMSS-QUCCMNQESA-N 1 2 424.570 3.961 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078714788 969012895 /nfs/dbraw/zinc/01/28/95/969012895.db2.gz BQONFGPRFCUMSS-QUCCMNQESA-N 1 2 424.570 3.961 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000554249347 1013872554 /nfs/dbraw/zinc/87/25/54/1013872554.db2.gz FFXLANGRQVYYCU-IEBWSBKVSA-N 1 2 410.543 3.563 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000554249347 1013872561 /nfs/dbraw/zinc/87/25/61/1013872561.db2.gz FFXLANGRQVYYCU-IEBWSBKVSA-N 1 2 410.543 3.563 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409877537 973344126 /nfs/dbraw/zinc/34/41/26/973344126.db2.gz SDMSCZKMBNFDSG-PZJWPPBQSA-N 1 2 423.879 3.712 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409877537 973344138 /nfs/dbraw/zinc/34/41/38/973344138.db2.gz SDMSCZKMBNFDSG-PZJWPPBQSA-N 1 2 423.879 3.712 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410261484 973771696 /nfs/dbraw/zinc/77/16/96/973771696.db2.gz YBLCUEVOZCNBHR-LJQANCHMSA-N 1 2 422.529 3.665 20 30 HHEDLO Cc1nc(SCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C#N)c(C)c1C ZINC000410276875 973797453 /nfs/dbraw/zinc/79/74/53/973797453.db2.gz TWHHNRWDIIPGPM-SFHVURJKSA-N 1 2 423.586 3.910 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000426759406 974639009 /nfs/dbraw/zinc/63/90/09/974639009.db2.gz MSILVGATCMMOPL-LJQANCHMSA-N 1 2 404.576 3.953 20 30 HHEDLO CCN(C(=O)CNc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000426868009 974721096 /nfs/dbraw/zinc/72/10/96/974721096.db2.gz DFYYNULULPBUBS-UHFFFAOYSA-N 1 2 420.561 3.710 20 30 HHEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(Cc3ccc(C#N)cc3)C3CC3)n2)CC1 ZINC000428350043 975663091 /nfs/dbraw/zinc/66/30/91/975663091.db2.gz MYZUOJSISYDJCS-UHFFFAOYSA-N 1 2 423.586 3.850 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2)nc1 ZINC000428789161 976064065 /nfs/dbraw/zinc/06/40/65/976064065.db2.gz UDVZHVPSHQBGEJ-AWEZNQCLSA-N 1 2 424.810 3.717 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2)nc1 ZINC000428789161 976064078 /nfs/dbraw/zinc/06/40/78/976064078.db2.gz UDVZHVPSHQBGEJ-AWEZNQCLSA-N 1 2 424.810 3.717 20 30 HHEDLO N#C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000428801586 976080015 /nfs/dbraw/zinc/08/00/15/976080015.db2.gz NOQVILSBPNHDAZ-LJQANCHMSA-N 1 2 404.297 3.820 20 30 HHEDLO N#C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000428807783 976087041 /nfs/dbraw/zinc/08/70/41/976087041.db2.gz SOOIHBYOGZDWRA-GOSISDBHSA-N 1 2 404.297 3.820 20 30 HHEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000428811537 976090996 /nfs/dbraw/zinc/09/09/96/976090996.db2.gz VODCWJPQYIDJMK-BBRMVZONSA-N 1 2 419.312 3.591 20 30 HHEDLO C[C@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000428811537 976091010 /nfs/dbraw/zinc/09/10/10/976091010.db2.gz VODCWJPQYIDJMK-BBRMVZONSA-N 1 2 419.312 3.591 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000428814573 976093353 /nfs/dbraw/zinc/09/33/53/976093353.db2.gz GUDQBSWNMFBCCX-XUZZJYLKSA-N 1 2 422.504 3.593 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000428814573 976093365 /nfs/dbraw/zinc/09/33/65/976093365.db2.gz GUDQBSWNMFBCCX-XUZZJYLKSA-N 1 2 422.504 3.593 20 30 HHEDLO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C(F)(F)F)O1 ZINC000428934570 976234995 /nfs/dbraw/zinc/23/49/95/976234995.db2.gz NLEKYJIQEUIGKJ-HNNXBMFYSA-N 1 2 415.481 3.869 20 30 HHEDLO CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C(F)(F)F)O1 ZINC000428934570 976235001 /nfs/dbraw/zinc/23/50/01/976235001.db2.gz NLEKYJIQEUIGKJ-HNNXBMFYSA-N 1 2 415.481 3.869 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429244593 976534303 /nfs/dbraw/zinc/53/43/03/976534303.db2.gz GWSRXNSZBXHKLY-OALUTQOASA-N 1 2 424.520 3.680 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429244593 976534313 /nfs/dbraw/zinc/53/43/13/976534313.db2.gz GWSRXNSZBXHKLY-OALUTQOASA-N 1 2 424.520 3.680 20 30 HHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429467171 976736263 /nfs/dbraw/zinc/73/62/63/976736263.db2.gz ZYKPDABWZVZMEL-LJQANCHMSA-N 1 2 401.470 3.779 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@H+](CCc2ccccn2)Cc2cccnc2)cc1Cl ZINC000430361549 977502370 /nfs/dbraw/zinc/50/23/70/977502370.db2.gz UJNBYAKXSMQPTK-UHFFFAOYSA-N 1 2 405.889 3.685 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCc2ccccn2)Cc2cccnc2)cc1Cl ZINC000430361549 977502373 /nfs/dbraw/zinc/50/23/73/977502373.db2.gz UJNBYAKXSMQPTK-UHFFFAOYSA-N 1 2 405.889 3.685 20 30 HHEDLO N#Cc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCC(F)(F)F ZINC000433266777 979201551 /nfs/dbraw/zinc/20/15/51/979201551.db2.gz WOSYBNOUJQVKBL-MRXNPFEDSA-N 1 2 406.364 3.580 20 30 HHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000433952362 979710758 /nfs/dbraw/zinc/71/07/58/979710758.db2.gz FGUZWMROALUXOU-WLBKGHODSA-N 1 2 412.578 3.965 20 30 HHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000433952362 979710762 /nfs/dbraw/zinc/71/07/62/979710762.db2.gz FGUZWMROALUXOU-WLBKGHODSA-N 1 2 412.578 3.965 20 30 HHEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)c1C ZINC000434833576 980431004 /nfs/dbraw/zinc/43/10/04/980431004.db2.gz LIGLUNNSEHJQCK-UHFFFAOYSA-N 1 2 402.502 3.546 20 30 HHEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)c1C ZINC000434833576 980431009 /nfs/dbraw/zinc/43/10/09/980431009.db2.gz LIGLUNNSEHJQCK-UHFFFAOYSA-N 1 2 402.502 3.546 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000434856790 980451070 /nfs/dbraw/zinc/45/10/70/980451070.db2.gz UTUQBMOZGPUQJI-ICSRJNTNSA-N 1 2 420.444 3.841 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000434856790 980451075 /nfs/dbraw/zinc/45/10/75/980451075.db2.gz UTUQBMOZGPUQJI-ICSRJNTNSA-N 1 2 420.444 3.841 20 30 HHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435025088 980579974 /nfs/dbraw/zinc/57/99/74/980579974.db2.gz HMEMCGZVCACURL-DNVCBOLYSA-N 1 2 414.962 3.757 20 30 HHEDLO COc1ccc(SCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000435829947 981049972 /nfs/dbraw/zinc/04/99/72/981049972.db2.gz ZIEAXAHABPIEKT-UHFFFAOYSA-N 1 2 409.555 3.784 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000436352859 981319325 /nfs/dbraw/zinc/31/93/25/981319325.db2.gz JVLURSAZEOYDPJ-OALUTQOASA-N 1 2 401.426 3.692 20 30 HHEDLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000460886986 982625087 /nfs/dbraw/zinc/62/50/87/982625087.db2.gz XJVDYBJYUOPRAR-DVECYGJZSA-N 1 2 418.541 3.792 20 30 HHEDLO COc1cc(C[NH+]2CCN(CC#Cc3cccc(Cl)c3)CC2)cc(OC)c1OC ZINC000438334784 982729291 /nfs/dbraw/zinc/72/92/91/982729291.db2.gz ZXVYRXSADOIOCQ-UHFFFAOYSA-N 1 2 414.933 3.535 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(NC(=O)Nc4ccc(F)cc4)CC3)o2)cc1 ZINC000438668434 982987687 /nfs/dbraw/zinc/98/76/87/982987687.db2.gz FYNYFDKECBWDKF-UHFFFAOYSA-N 1 2 420.448 3.533 20 30 HHEDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC000441054164 984045412 /nfs/dbraw/zinc/04/54/12/984045412.db2.gz AINBOCLMNQKDKY-SFHVURJKSA-N 1 2 407.514 3.787 20 30 HHEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC000441054164 984045417 /nfs/dbraw/zinc/04/54/17/984045417.db2.gz AINBOCLMNQKDKY-SFHVURJKSA-N 1 2 407.514 3.787 20 30 HHEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)Cc2ccccc21 ZINC000441113745 984074603 /nfs/dbraw/zinc/07/46/03/984074603.db2.gz FWMZYGHEIHNQGX-JOCHJYFZSA-N 1 2 415.493 3.900 20 30 HHEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)Cc2ccccc21 ZINC000441113745 984074607 /nfs/dbraw/zinc/07/46/07/984074607.db2.gz FWMZYGHEIHNQGX-JOCHJYFZSA-N 1 2 415.493 3.900 20 30 HHEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)Cc2ccccc21 ZINC000441116690 984075909 /nfs/dbraw/zinc/07/59/09/984075909.db2.gz PWUHCLCPMJDPCQ-HTAPYJJXSA-N 1 2 423.488 3.623 20 30 HHEDLO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)Cc2ccccc21 ZINC000441116690 984075916 /nfs/dbraw/zinc/07/59/16/984075916.db2.gz PWUHCLCPMJDPCQ-HTAPYJJXSA-N 1 2 423.488 3.623 20 30 HHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000441378862 984219674 /nfs/dbraw/zinc/21/96/74/984219674.db2.gz NFLYXUMIFUFGMG-MSOLQXFVSA-N 1 2 402.970 3.750 20 30 HHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441378865 984219681 /nfs/dbraw/zinc/21/96/81/984219681.db2.gz NFLYXUMIFUFGMG-ZWKOTPCHSA-N 1 2 402.970 3.750 20 30 HHEDLO N#Cc1ccc(NC(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(Cl)c1 ZINC000442180840 984703311 /nfs/dbraw/zinc/70/33/11/984703311.db2.gz IXLZMVSVJNESAW-UHFFFAOYSA-N 1 2 417.856 3.704 20 30 HHEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(Br)c1 ZINC000461777275 984774558 /nfs/dbraw/zinc/77/45/58/984774558.db2.gz UPTOIHFUPQXUQG-MRXNPFEDSA-N 1 2 412.331 3.769 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cc(Br)cn1C ZINC000468096707 985755812 /nfs/dbraw/zinc/75/58/12/985755812.db2.gz NAIAUSTUTYOJGO-LLVKDONJSA-N 1 2 409.715 3.772 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468096707 985755821 /nfs/dbraw/zinc/75/58/21/985755821.db2.gz NAIAUSTUTYOJGO-LLVKDONJSA-N 1 2 409.715 3.772 20 30 HHEDLO C[C@H](CC(=O)c1ccccc1F)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000463363728 986329370 /nfs/dbraw/zinc/32/93/70/986329370.db2.gz BZWYDQXJNMTDIS-GOSISDBHSA-N 1 2 407.489 3.641 20 30 HHEDLO C[C@H](CC(=O)c1ccccc1F)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000463363728 986329388 /nfs/dbraw/zinc/32/93/88/986329388.db2.gz BZWYDQXJNMTDIS-GOSISDBHSA-N 1 2 407.489 3.641 20 30 HHEDLO C[C@@H]1C[NH+](Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)C[C@@H](C)O1 ZINC000444196169 986373885 /nfs/dbraw/zinc/37/38/85/986373885.db2.gz OYMLPEPJEOWAPO-HUUCEWRRSA-N 1 2 419.934 3.622 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463431817 986405564 /nfs/dbraw/zinc/40/55/64/986405564.db2.gz CQAIVCQALUSZSG-MZNJEOGPSA-N 1 2 423.582 3.852 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463431817 986405574 /nfs/dbraw/zinc/40/55/74/986405574.db2.gz CQAIVCQALUSZSG-MZNJEOGPSA-N 1 2 423.582 3.852 20 30 HHEDLO COCC[N@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)Cc1ccc(C#N)cc1 ZINC000444254565 986450884 /nfs/dbraw/zinc/45/08/84/986450884.db2.gz XTYDHESVMZQPOW-UHFFFAOYSA-N 1 2 407.436 3.870 20 30 HHEDLO COCC[N@@H+](CC(=O)c1cc(C)n(CC(F)(F)F)c1C)Cc1ccc(C#N)cc1 ZINC000444254565 986450888 /nfs/dbraw/zinc/45/08/88/986450888.db2.gz XTYDHESVMZQPOW-UHFFFAOYSA-N 1 2 407.436 3.870 20 30 HHEDLO COCC[N@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)Cc1ccc(C#N)cc1 ZINC000444254953 986452256 /nfs/dbraw/zinc/45/22/56/986452256.db2.gz ZKJHABLGSFKMRV-UHFFFAOYSA-N 1 2 408.527 3.754 20 30 HHEDLO COCC[N@@H+](CC(=O)c1cc(C)n(-c2nccs2)c1C)Cc1ccc(C#N)cc1 ZINC000444254953 986452262 /nfs/dbraw/zinc/45/22/62/986452262.db2.gz ZKJHABLGSFKMRV-UHFFFAOYSA-N 1 2 408.527 3.754 20 30 HHEDLO N#CCCCn1cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c2ccccc21 ZINC000444280836 986469703 /nfs/dbraw/zinc/46/97/03/986469703.db2.gz UGRSXPCUSROERV-UHFFFAOYSA-N 1 2 402.498 3.609 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000463590502 986566868 /nfs/dbraw/zinc/56/68/68/986566868.db2.gz KGLJTMJHYNHOBW-FPOVZHCZSA-N 1 2 402.441 3.713 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000463590502 986566872 /nfs/dbraw/zinc/56/68/72/986566872.db2.gz KGLJTMJHYNHOBW-FPOVZHCZSA-N 1 2 402.441 3.713 20 30 HHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](c1ccccc1)C2 ZINC000468876729 986583559 /nfs/dbraw/zinc/58/35/59/986583559.db2.gz HRAGTEFCHYAACR-VWLOTQADSA-N 1 2 411.505 3.983 20 30 HHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](c1ccccc1)C2 ZINC000468876729 986583565 /nfs/dbraw/zinc/58/35/65/986583565.db2.gz HRAGTEFCHYAACR-VWLOTQADSA-N 1 2 411.505 3.983 20 30 HHEDLO N#Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000463651097 986629498 /nfs/dbraw/zinc/62/94/98/986629498.db2.gz VVEFCWWOSGAGBE-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000463761069 986752227 /nfs/dbraw/zinc/75/22/27/986752227.db2.gz SVZWSLZWCINYQX-GOSISDBHSA-N 1 2 410.514 3.788 20 30 HHEDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)c2c1 ZINC000444628457 986814459 /nfs/dbraw/zinc/81/44/59/986814459.db2.gz UESZWLSJMARQGE-UHFFFAOYSA-N 1 2 417.465 3.552 20 30 HHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(CCC#N)Cc2ccccn2)C[C@H](C)O1 ZINC000444643825 986829343 /nfs/dbraw/zinc/82/93/43/986829343.db2.gz UPJQRYMYGKXXFC-KDURUIRLSA-N 1 2 407.518 3.639 20 30 HHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(CCC#N)Cc2ccccn2)C[C@H](C)O1 ZINC000444643825 986829359 /nfs/dbraw/zinc/82/93/59/986829359.db2.gz UPJQRYMYGKXXFC-KDURUIRLSA-N 1 2 407.518 3.639 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000469506956 987183473 /nfs/dbraw/zinc/18/34/73/987183473.db2.gz PYINZQFUIOVLPH-GHTZIAJQSA-N 1 2 407.518 3.812 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000445233075 987293471 /nfs/dbraw/zinc/29/34/71/987293471.db2.gz CCXRSVYZBZWMPB-LJQANCHMSA-N 1 2 407.518 3.646 20 30 HHEDLO C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000469752516 987404468 /nfs/dbraw/zinc/40/44/68/987404468.db2.gz NDUGNKOSNJURCT-GHOZHQTGSA-N 1 2 407.518 3.737 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000469990049 987605688 /nfs/dbraw/zinc/60/56/88/987605688.db2.gz IVVHHPYQNIGUGJ-UHFFFAOYSA-N 1 2 419.525 3.510 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470010937 987622573 /nfs/dbraw/zinc/62/25/73/987622573.db2.gz DNHOPCGPXMQTEK-MRXNPFEDSA-N 1 2 414.472 3.614 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470010937 987622580 /nfs/dbraw/zinc/62/25/80/987622580.db2.gz DNHOPCGPXMQTEK-MRXNPFEDSA-N 1 2 414.472 3.614 20 30 HHEDLO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000463845939 987950234 /nfs/dbraw/zinc/95/02/34/987950234.db2.gz JPSNMPMUAMTIDF-IRXDYDNUSA-N 1 2 413.946 3.616 20 30 HHEDLO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000463845939 987950239 /nfs/dbraw/zinc/95/02/39/987950239.db2.gz JPSNMPMUAMTIDF-IRXDYDNUSA-N 1 2 413.946 3.616 20 30 HHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000464495211 988667680 /nfs/dbraw/zinc/66/76/80/988667680.db2.gz MWKFQXZFTDMGJY-MSOLQXFVSA-N 1 2 417.575 3.931 20 30 HHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000464495211 988667686 /nfs/dbraw/zinc/66/76/86/988667686.db2.gz MWKFQXZFTDMGJY-MSOLQXFVSA-N 1 2 417.575 3.931 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470931250 989002035 /nfs/dbraw/zinc/00/20/35/989002035.db2.gz KBOZQGQTBFIGQL-YOEHRIQHSA-N 1 2 408.424 3.829 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470931250 989002042 /nfs/dbraw/zinc/00/20/42/989002042.db2.gz KBOZQGQTBFIGQL-YOEHRIQHSA-N 1 2 408.424 3.829 20 30 HHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1Cl ZINC000464786359 989015973 /nfs/dbraw/zinc/01/59/73/989015973.db2.gz XFGXDVQLTUYWMW-UHFFFAOYSA-N 1 2 414.849 3.602 20 30 HHEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000471751659 989946245 /nfs/dbraw/zinc/94/62/45/989946245.db2.gz TWLANIHCOVIDHD-NQIIRXRSSA-N 1 2 424.907 3.986 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000471963158 990128804 /nfs/dbraw/zinc/12/88/04/990128804.db2.gz GXEWMUJHXQXZFX-MJGOQNOKSA-N 1 2 415.444 3.609 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000471963158 990128806 /nfs/dbraw/zinc/12/88/06/990128806.db2.gz GXEWMUJHXQXZFX-MJGOQNOKSA-N 1 2 415.444 3.609 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ncccc1OCCCC#N ZINC000466604669 991921177 /nfs/dbraw/zinc/92/11/77/991921177.db2.gz QYDMWUWOWPTCGF-UHFFFAOYSA-N 1 2 422.533 3.930 20 30 HHEDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 ZINC000467115871 992429629 /nfs/dbraw/zinc/42/96/29/992429629.db2.gz FENICHNSKGVDSF-FXAWDEMLSA-N 1 2 411.502 3.907 20 30 HHEDLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 ZINC000467115871 992429636 /nfs/dbraw/zinc/42/96/36/992429636.db2.gz FENICHNSKGVDSF-FXAWDEMLSA-N 1 2 411.502 3.907 20 30 HHEDLO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ncccc12 ZINC000467310986 992634436 /nfs/dbraw/zinc/63/44/36/992634436.db2.gz LCUODRBTMKURKD-UHFFFAOYSA-N 1 2 415.497 3.855 20 30 HHEDLO CCCN1CCC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1=O ZINC000472194516 993232191 /nfs/dbraw/zinc/23/21/91/993232191.db2.gz UIQIFQDEDOFXAP-UHFFFAOYSA-N 1 2 407.514 3.590 20 30 HHEDLO CCCN1CCC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1=O ZINC000472194516 993232198 /nfs/dbraw/zinc/23/21/98/993232198.db2.gz UIQIFQDEDOFXAP-UHFFFAOYSA-N 1 2 407.514 3.590 20 30 HHEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472312061 993324037 /nfs/dbraw/zinc/32/40/37/993324037.db2.gz JBOPMOCJTLIUFA-APWZRJJASA-N 1 2 402.857 3.926 20 30 HHEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472312061 993324043 /nfs/dbraw/zinc/32/40/43/993324043.db2.gz JBOPMOCJTLIUFA-APWZRJJASA-N 1 2 402.857 3.926 20 30 HHEDLO C=C(C)[C@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccc(F)c(F)c1 ZINC000481017844 993860897 /nfs/dbraw/zinc/86/08/97/993860897.db2.gz WMOMZQUYWZHGED-FQEVSTJZSA-N 1 2 402.445 3.944 20 30 HHEDLO C=C(C)Cn1c(SCC(=O)Nc2ccc3[nH+]c(C)cn3c2)nnc1-c1ccco1 ZINC000481267651 994086068 /nfs/dbraw/zinc/08/60/68/994086068.db2.gz WBLLBYIUACBLSR-UHFFFAOYSA-N 1 2 408.487 3.801 20 30 HHEDLO Cn1c2ccccc2nc1[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000481400028 994232719 /nfs/dbraw/zinc/23/27/19/994232719.db2.gz GINFSZUIYBODTG-JOCHJYFZSA-N 1 2 401.514 3.595 20 30 HHEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000481400031 994232764 /nfs/dbraw/zinc/23/27/64/994232764.db2.gz GINFSZUIYBODTG-QFIPXVFZSA-N 1 2 401.514 3.595 20 30 HHEDLO C=C(C)[C@@H]([NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C)c1ccc(F)c(F)c1 ZINC000481584051 994426065 /nfs/dbraw/zinc/42/60/65/994426065.db2.gz DFKPAMIDNQJAOS-OAQYLSRUSA-N 1 2 421.875 3.888 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000481815490 994666023 /nfs/dbraw/zinc/66/60/23/994666023.db2.gz LSBYDSIFLBBSSW-UHFFFAOYSA-N 1 2 411.575 3.711 20 30 HHEDLO COc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C)c(OC)c1 ZINC000474154422 995137906 /nfs/dbraw/zinc/13/79/06/995137906.db2.gz NWOSCVPQIPJRCI-UHFFFAOYSA-N 1 2 416.543 3.650 20 30 HHEDLO COc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C)c(OC)c1 ZINC000474154422 995137910 /nfs/dbraw/zinc/13/79/10/995137910.db2.gz NWOSCVPQIPJRCI-UHFFFAOYSA-N 1 2 416.543 3.650 20 30 HHEDLO C[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(=O)c1cccc(F)c1 ZINC000482609361 995606901 /nfs/dbraw/zinc/60/69/01/995606901.db2.gz YAADXQCYEBEAKH-GOSISDBHSA-N 1 2 407.489 3.709 20 30 HHEDLO CCOc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482724439 995709117 /nfs/dbraw/zinc/70/91/17/995709117.db2.gz QRDYYFCHWJOWEV-UHFFFAOYSA-N 1 2 419.525 3.723 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000475275288 996039896 /nfs/dbraw/zinc/03/98/96/996039896.db2.gz LRFFQEPPBAABND-GOSISDBHSA-N 1 2 408.546 3.692 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475608140 996244884 /nfs/dbraw/zinc/24/48/84/996244884.db2.gz MXUHMSJYXLBADF-HXUWFJFHSA-N 1 2 405.542 3.851 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000484011671 996520855 /nfs/dbraw/zinc/52/08/55/996520855.db2.gz CQZILTYDSKVFKJ-MOPGFXCFSA-N 1 2 408.468 3.754 20 30 HHEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)ccc1F ZINC000485306390 997714615 /nfs/dbraw/zinc/71/46/15/997714615.db2.gz VJTWROSNGKJYRE-YWZLYKJASA-N 1 2 419.460 3.902 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000485361468 997785533 /nfs/dbraw/zinc/78/55/33/997785533.db2.gz NLUZVECELOLLNG-KMFTYDHNSA-N 1 2 421.545 3.646 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485655994 998104869 /nfs/dbraw/zinc/10/48/69/998104869.db2.gz IRKWXKKFEMBIQG-PZJWPPBQSA-N 1 2 401.482 3.631 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485655994 998104879 /nfs/dbraw/zinc/10/48/79/998104879.db2.gz IRKWXKKFEMBIQG-PZJWPPBQSA-N 1 2 401.482 3.631 20 30 HHEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477490140 998210847 /nfs/dbraw/zinc/21/08/47/998210847.db2.gz FLAWATZPJQHOBX-ROUUACIJSA-N 1 2 413.946 3.616 20 30 HHEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477490140 998210859 /nfs/dbraw/zinc/21/08/59/998210859.db2.gz FLAWATZPJQHOBX-ROUUACIJSA-N 1 2 413.946 3.616 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000477861152 998611637 /nfs/dbraw/zinc/61/16/37/998611637.db2.gz XPLXJFGYOLWIIB-IBGZPJMESA-N 1 2 423.561 3.870 20 30 HHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000477939895 998669404 /nfs/dbraw/zinc/66/94/04/998669404.db2.gz JUSLRDKZVDEXHF-UHFFFAOYSA-N 1 2 412.538 3.614 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1C#N ZINC000486807987 998948788 /nfs/dbraw/zinc/94/87/88/998948788.db2.gz IDTXBOXXVFHRFS-WOJBJXKFSA-N 1 2 416.591 3.627 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1C#N ZINC000486807987 998948791 /nfs/dbraw/zinc/94/87/91/998948791.db2.gz IDTXBOXXVFHRFS-WOJBJXKFSA-N 1 2 416.591 3.627 20 30 HHEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000488360152 999456463 /nfs/dbraw/zinc/45/64/63/999456463.db2.gz NQDWPDSBTANYJY-UHFFFAOYSA-N 1 2 409.515 3.721 20 30 HHEDLO C=CCC[C@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000489771417 999834803 /nfs/dbraw/zinc/83/48/03/999834803.db2.gz QHZNMDHFJCGCJF-OALUTQOASA-N 1 2 411.468 3.875 20 30 HHEDLO C=CCC[C@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000489771417 999834804 /nfs/dbraw/zinc/83/48/04/999834804.db2.gz QHZNMDHFJCGCJF-OALUTQOASA-N 1 2 411.468 3.875 20 30 HHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)C1=O ZINC000490028540 999880882 /nfs/dbraw/zinc/88/08/82/999880882.db2.gz DMVLYSFBEOPQKA-NVXWUHKLSA-N 1 2 412.584 3.940 20 30 HHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)C1=O ZINC000490028540 999880884 /nfs/dbraw/zinc/88/08/84/999880884.db2.gz DMVLYSFBEOPQKA-NVXWUHKLSA-N 1 2 412.584 3.940 20 30 HHEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491166439 1000051662 /nfs/dbraw/zinc/05/16/62/1000051662.db2.gz ISVHAVGISNRDGN-UHFFFAOYSA-N 1 2 405.527 3.751 20 30 HHEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491166439 1000051665 /nfs/dbraw/zinc/05/16/65/1000051665.db2.gz ISVHAVGISNRDGN-UHFFFAOYSA-N 1 2 405.527 3.751 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CCO)Cc2cccc(F)c2)c1C#N ZINC000494228737 1000374632 /nfs/dbraw/zinc/37/46/32/1000374632.db2.gz XQINWGXUZNXFBY-UHFFFAOYSA-N 1 2 412.509 3.664 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)c1C#N ZINC000494228737 1000374639 /nfs/dbraw/zinc/37/46/39/1000374639.db2.gz XQINWGXUZNXFBY-UHFFFAOYSA-N 1 2 412.509 3.664 20 30 HHEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1Cl ZINC000494407058 1000477604 /nfs/dbraw/zinc/47/76/04/1000477604.db2.gz RDTTZPLAAUYIHX-PZJWPPBQSA-N 1 2 424.932 3.980 20 30 HHEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1Cl ZINC000494407058 1000477608 /nfs/dbraw/zinc/47/76/08/1000477608.db2.gz RDTTZPLAAUYIHX-PZJWPPBQSA-N 1 2 424.932 3.980 20 30 HHEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000494581328 1000563796 /nfs/dbraw/zinc/56/37/96/1000563796.db2.gz XORPYHGDDYTSKO-QFIPXVFZSA-N 1 2 417.488 3.758 20 30 HHEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000494581328 1000563801 /nfs/dbraw/zinc/56/38/01/1000563801.db2.gz XORPYHGDDYTSKO-QFIPXVFZSA-N 1 2 417.488 3.758 20 30 HHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)CCCC2 ZINC000494783013 1000654108 /nfs/dbraw/zinc/65/41/08/1000654108.db2.gz ONDHFQWJSTYBHV-VGOFRKELSA-N 1 2 421.545 3.521 20 30 HHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1)CCCC2 ZINC000494783013 1000654113 /nfs/dbraw/zinc/65/41/13/1000654113.db2.gz ONDHFQWJSTYBHV-VGOFRKELSA-N 1 2 421.545 3.521 20 30 HHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)c1 ZINC000505513329 1000851344 /nfs/dbraw/zinc/85/13/44/1000851344.db2.gz NIXKFROCOBAMIB-GOSISDBHSA-N 1 2 409.555 3.705 20 30 HHEDLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)nn1-c1cccc(C#N)c1 ZINC000505728539 1000995752 /nfs/dbraw/zinc/99/57/52/1000995752.db2.gz CDOZHFHZJDKZPD-UHFFFAOYSA-N 1 2 406.515 3.747 20 30 HHEDLO CCCOc1ccc(NC(=O)NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1OCCC ZINC000506040506 1001183995 /nfs/dbraw/zinc/18/39/95/1001183995.db2.gz CCUSOMDDGFCPDK-UHFFFAOYSA-N 1 2 416.522 3.538 20 30 HHEDLO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000506057379 1001196654 /nfs/dbraw/zinc/19/66/54/1001196654.db2.gz YYJUYTFBZHYUCE-KRWDZBQOSA-N 1 2 420.513 3.900 20 30 HHEDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000506568376 1001461060 /nfs/dbraw/zinc/46/10/60/1001461060.db2.gz OBKSYOMTFHOONO-UHFFFAOYSA-N 1 2 407.514 3.726 20 30 HHEDLO N#Cc1ccc(N2CCC(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)c(F)c1 ZINC000506650554 1001482887 /nfs/dbraw/zinc/48/28/87/1001482887.db2.gz ZOUCMIRIAXZQCT-UHFFFAOYSA-N 1 2 421.520 3.615 20 30 HHEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC12CCCCC2 ZINC000498943194 1002342604 /nfs/dbraw/zinc/34/26/04/1002342604.db2.gz WOYUPVGNJXKVFC-OAQYLSRUSA-N 1 2 424.589 3.806 20 30 HHEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC12CCCCC2 ZINC000498943194 1002342614 /nfs/dbraw/zinc/34/26/14/1002342614.db2.gz WOYUPVGNJXKVFC-OAQYLSRUSA-N 1 2 424.589 3.806 20 30 HHEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000499020413 1002396199 /nfs/dbraw/zinc/39/61/99/1002396199.db2.gz JSVAJCVVCJFUAH-JXFKEZNVSA-N 1 2 413.543 3.551 20 30 HHEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1 ZINC000499020413 1002396209 /nfs/dbraw/zinc/39/62/09/1002396209.db2.gz JSVAJCVVCJFUAH-JXFKEZNVSA-N 1 2 413.543 3.551 20 30 HHEDLO Cc1cc(N2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000508044658 1002566883 /nfs/dbraw/zinc/56/68/83/1002566883.db2.gz LVOJGFGZLGYUTK-UHFFFAOYSA-N 1 2 409.538 3.691 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000508241363 1002766972 /nfs/dbraw/zinc/76/69/72/1002766972.db2.gz INYCHHYPOBHTAF-UHFFFAOYSA-N 1 2 403.442 3.988 20 30 HHEDLO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508495449 1002978282 /nfs/dbraw/zinc/97/82/82/1002978282.db2.gz VCUBSTCXJGHLKU-UHFFFAOYSA-N 1 2 418.932 3.978 20 30 HHEDLO CCCOc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1OC ZINC000508645071 1003092566 /nfs/dbraw/zinc/09/25/66/1003092566.db2.gz JSZIYHJNPNSXFD-UHFFFAOYSA-N 1 2 422.485 3.926 20 30 HHEDLO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508818600 1003242797 /nfs/dbraw/zinc/24/27/97/1003242797.db2.gz TUKYAEHNYRJSKP-UHFFFAOYSA-N 1 2 418.932 3.978 20 30 HHEDLO N#Cc1c2c(sc1NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F)CCCCC2 ZINC000499960066 1003279354 /nfs/dbraw/zinc/27/93/54/1003279354.db2.gz BWVWGTAKJCOGLW-MRXNPFEDSA-N 1 2 421.925 3.943 20 30 HHEDLO C=CCn1c(-c2ccc(C)s2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000508953906 1003412131 /nfs/dbraw/zinc/41/21/31/1003412131.db2.gz WFPCMYIDOOGAHA-UHFFFAOYSA-N 1 2 400.577 3.588 20 30 HHEDLO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000509014479 1003486733 /nfs/dbraw/zinc/48/67/33/1003486733.db2.gz XJALLTDDOMSQJY-UZLBHIALSA-N 1 2 417.504 3.520 20 30 HHEDLO CC(=O)c1ccccc1OCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000500585953 1003800502 /nfs/dbraw/zinc/80/05/02/1003800502.db2.gz CLAQMOWCHJFQQP-UHFFFAOYSA-N 1 2 400.482 3.510 20 30 HHEDLO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000512228280 1004128408 /nfs/dbraw/zinc/12/84/08/1004128408.db2.gz NIQXOVSPHVJZTE-UHFFFAOYSA-N 1 2 403.505 3.881 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)c(F)c1 ZINC000512237340 1004139319 /nfs/dbraw/zinc/13/93/19/1004139319.db2.gz PQHZUHORHIKGBP-UHFFFAOYSA-N 1 2 402.473 3.994 20 30 HHEDLO Cc1nc(CC[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cs1 ZINC000501056267 1004158374 /nfs/dbraw/zinc/15/83/74/1004158374.db2.gz YGODLTIDTIOCJF-GOSISDBHSA-N 1 2 405.365 3.639 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000512506550 1004348736 /nfs/dbraw/zinc/34/87/36/1004348736.db2.gz NDWDZHAIWZPRIQ-KRWDZBQOSA-N 1 2 400.523 3.887 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000512506550 1004348745 /nfs/dbraw/zinc/34/87/45/1004348745.db2.gz NDWDZHAIWZPRIQ-KRWDZBQOSA-N 1 2 400.523 3.887 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512551551 1004379245 /nfs/dbraw/zinc/37/92/45/1004379245.db2.gz FERYTNADXGEYAZ-RDTXWAMCSA-N 1 2 415.481 3.656 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512551551 1004379254 /nfs/dbraw/zinc/37/92/54/1004379254.db2.gz FERYTNADXGEYAZ-RDTXWAMCSA-N 1 2 415.481 3.656 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512551546 1004379316 /nfs/dbraw/zinc/37/93/16/1004379316.db2.gz FERYTNADXGEYAZ-KBXCAEBGSA-N 1 2 415.481 3.656 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000512551546 1004379325 /nfs/dbraw/zinc/37/93/25/1004379325.db2.gz FERYTNADXGEYAZ-KBXCAEBGSA-N 1 2 415.481 3.656 20 30 HHEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000510352470 1004502211 /nfs/dbraw/zinc/50/22/11/1004502211.db2.gz DUOHAABQGDOOHU-SFHVURJKSA-N 1 2 415.902 3.614 20 30 HHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC000510754136 1004833929 /nfs/dbraw/zinc/83/39/29/1004833929.db2.gz TUSDLVRDLFZCLM-GCJKJVERSA-N 1 2 421.545 3.860 20 30 HHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC000510754136 1004833931 /nfs/dbraw/zinc/83/39/31/1004833931.db2.gz TUSDLVRDLFZCLM-GCJKJVERSA-N 1 2 421.545 3.860 20 30 HHEDLO CCN(C(=O)Cc1c(F)cccc1C#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000513299737 1004902274 /nfs/dbraw/zinc/90/22/74/1004902274.db2.gz YTZIMEBFGWLKFA-UHFFFAOYSA-N 1 2 423.536 3.979 20 30 HHEDLO N#Cc1ccc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c(F)c1 ZINC000510922845 1004934768 /nfs/dbraw/zinc/93/47/68/1004934768.db2.gz XJHDPPCLULQHFL-UHFFFAOYSA-N 1 2 403.255 3.952 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502176549 1004939718 /nfs/dbraw/zinc/93/97/18/1004939718.db2.gz UWPXSSMFNMYEHA-AWEZNQCLSA-N 1 2 412.440 3.514 20 30 HHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Cc2c(F)cccc2C#N)cc1 ZINC000511175929 1005059418 /nfs/dbraw/zinc/05/94/18/1005059418.db2.gz UEALJAOSSSSRPJ-UHFFFAOYSA-N 1 2 420.488 3.954 20 30 HHEDLO CCOc1ccc(OCC)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000511224830 1005081011 /nfs/dbraw/zinc/08/10/11/1005081011.db2.gz USDPJDDPRGPQPV-UHFFFAOYSA-N 1 2 408.502 3.705 20 30 HHEDLO N#CCCN(C(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000502540052 1005109423 /nfs/dbraw/zinc/10/94/23/1005109423.db2.gz JOLMNZXSGWKZLM-UHFFFAOYSA-N 1 2 406.313 3.735 20 30 HHEDLO N#CCCN(C(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000502540052 1005109426 /nfs/dbraw/zinc/10/94/26/1005109426.db2.gz JOLMNZXSGWKZLM-UHFFFAOYSA-N 1 2 406.313 3.735 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000502896381 1005264308 /nfs/dbraw/zinc/26/43/08/1005264308.db2.gz OFVGAUJMTDUGOR-KRWDZBQOSA-N 1 2 403.592 3.776 20 30 HHEDLO Cc1ccc2[nH+]c(CSCC(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cn2c1 ZINC000514246931 1005332263 /nfs/dbraw/zinc/33/22/63/1005332263.db2.gz SHQSPWFWFKWEBS-UHFFFAOYSA-N 1 2 422.510 3.594 20 30 HHEDLO Cc1cc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)nn1-c1cccc(C#N)c1 ZINC000503142624 1005356101 /nfs/dbraw/zinc/35/61/01/1005356101.db2.gz XGLDOZQHVRTOSB-GOSISDBHSA-N 1 2 415.497 3.698 20 30 HHEDLO C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000504227410 1005577692 /nfs/dbraw/zinc/57/76/92/1005577692.db2.gz WYNCVKUTMJEDSU-KOSHJBKYSA-N 1 2 403.526 3.903 20 30 HHEDLO C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000504227410 1005577696 /nfs/dbraw/zinc/57/76/96/1005577696.db2.gz WYNCVKUTMJEDSU-KOSHJBKYSA-N 1 2 403.526 3.903 20 30 HHEDLO CC1CC(C#N)(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)C1 ZINC000531753144 1006397410 /nfs/dbraw/zinc/39/74/10/1006397410.db2.gz IIFJFWXMXPWFGY-UHFFFAOYSA-N 1 2 424.526 3.907 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000534475384 1006463433 /nfs/dbraw/zinc/46/34/33/1006463433.db2.gz RLIKSSOKEHFQKO-SFHVURJKSA-N 1 2 419.525 3.634 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000534475384 1006463440 /nfs/dbraw/zinc/46/34/40/1006463440.db2.gz RLIKSSOKEHFQKO-SFHVURJKSA-N 1 2 419.525 3.634 20 30 HHEDLO COCC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000531899239 1006506331 /nfs/dbraw/zinc/50/63/31/1006506331.db2.gz WOFOMVWUJTWXPX-MRXNPFEDSA-N 1 2 401.457 3.504 20 30 HHEDLO COCC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000531899239 1006506337 /nfs/dbraw/zinc/50/63/37/1006506337.db2.gz WOFOMVWUJTWXPX-MRXNPFEDSA-N 1 2 401.457 3.504 20 30 HHEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534816950 1006824593 /nfs/dbraw/zinc/82/45/93/1006824593.db2.gz UVJYRMARNYVNCZ-MSOLQXFVSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000534816950 1006824606 /nfs/dbraw/zinc/82/46/06/1006824606.db2.gz UVJYRMARNYVNCZ-MSOLQXFVSA-N 1 2 410.326 3.589 20 30 HHEDLO C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000532642468 1007060254 /nfs/dbraw/zinc/06/02/54/1007060254.db2.gz KRCGXVLLXMRZRV-GOSISDBHSA-N 1 2 405.523 3.779 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000532744514 1007155736 /nfs/dbraw/zinc/15/57/36/1007155736.db2.gz SYPOVXZLPJJYPP-QGZVFWFLSA-N 1 2 407.543 3.826 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000532744514 1007155739 /nfs/dbraw/zinc/15/57/39/1007155739.db2.gz SYPOVXZLPJJYPP-QGZVFWFLSA-N 1 2 407.543 3.826 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000532960484 1007328571 /nfs/dbraw/zinc/32/85/71/1007328571.db2.gz URSLAICGWMAWJA-HNNXBMFYSA-N 1 2 416.953 3.700 20 30 HHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000533024677 1007385919 /nfs/dbraw/zinc/38/59/19/1007385919.db2.gz CONCIAMQUCGIBN-INIZCTEOSA-N 1 2 403.548 3.685 20 30 HHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000533024677 1007385934 /nfs/dbraw/zinc/38/59/34/1007385934.db2.gz CONCIAMQUCGIBN-INIZCTEOSA-N 1 2 403.548 3.685 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000533220667 1007544285 /nfs/dbraw/zinc/54/42/85/1007544285.db2.gz MHAXQVWZMFQVED-UHFFFAOYSA-N 1 2 422.916 3.707 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000533220667 1007544295 /nfs/dbraw/zinc/54/42/95/1007544295.db2.gz MHAXQVWZMFQVED-UHFFFAOYSA-N 1 2 422.916 3.707 20 30 HHEDLO COCCCOC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000533292323 1007606670 /nfs/dbraw/zinc/60/66/70/1007606670.db2.gz FEODKECPTIKWAI-UHFFFAOYSA-N 1 2 416.566 3.548 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000533293368 1007608319 /nfs/dbraw/zinc/60/83/19/1007608319.db2.gz RSBNAHBCMYDTHY-RBUKOAKNSA-N 1 2 423.586 3.651 20 30 HHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539362522 1007664435 /nfs/dbraw/zinc/66/44/35/1007664435.db2.gz SNJGGGJRXVPSQQ-VQIMIIECSA-N 1 2 416.978 3.803 20 30 HHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000539362522 1007664443 /nfs/dbraw/zinc/66/44/43/1007664443.db2.gz SNJGGGJRXVPSQQ-VQIMIIECSA-N 1 2 416.978 3.803 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000533366777 1007675265 /nfs/dbraw/zinc/67/52/65/1007675265.db2.gz LERKFIVFSPZXSA-AWEZNQCLSA-N 1 2 412.465 3.585 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000533382098 1007695260 /nfs/dbraw/zinc/69/52/60/1007695260.db2.gz AAEPQBUQTVJBKN-UHFFFAOYSA-N 1 2 423.542 3.894 20 30 HHEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](NC(=O)c4ccc5ccccc5c4)C3)n2c1 ZINC000535820569 1007833557 /nfs/dbraw/zinc/83/35/57/1007833557.db2.gz DBWOTARLPNMYRI-QFIPXVFZSA-N 1 2 409.493 3.754 20 30 HHEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](NC(=O)c4ccc5ccccc5c4)C3)n2c1 ZINC000535820569 1007833572 /nfs/dbraw/zinc/83/35/72/1007833572.db2.gz DBWOTARLPNMYRI-QFIPXVFZSA-N 1 2 409.493 3.754 20 30 HHEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000535966936 1008005245 /nfs/dbraw/zinc/00/52/45/1008005245.db2.gz DWCJMGOQPPHNTG-QGZVFWFLSA-N 1 2 407.489 3.764 20 30 HHEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000535966936 1008005253 /nfs/dbraw/zinc/00/52/53/1008005253.db2.gz DWCJMGOQPPHNTG-QGZVFWFLSA-N 1 2 407.489 3.764 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+](CC(N)=O)Cc2ccccc2)cc1OC ZINC000539830318 1008124151 /nfs/dbraw/zinc/12/41/51/1008124151.db2.gz KKADCAYRTFCYKS-UHFFFAOYSA-N 1 2 419.319 3.510 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+](CC(N)=O)Cc2ccccc2)cc1OC ZINC000539830318 1008124155 /nfs/dbraw/zinc/12/41/55/1008124155.db2.gz KKADCAYRTFCYKS-UHFFFAOYSA-N 1 2 419.319 3.510 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935483 1008479067 /nfs/dbraw/zinc/47/90/67/1008479067.db2.gz IHXLABKYQJVBAT-HNAYVOBHSA-N 1 2 415.896 3.899 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935483 1008479068 /nfs/dbraw/zinc/47/90/68/1008479068.db2.gz IHXLABKYQJVBAT-HNAYVOBHSA-N 1 2 415.896 3.899 20 30 HHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000519136234 1008557752 /nfs/dbraw/zinc/55/77/52/1008557752.db2.gz VJRURSRTRLCMRA-WZONZLPQSA-N 1 2 407.514 3.994 20 30 HHEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545506448 1008608108 /nfs/dbraw/zinc/60/81/08/1008608108.db2.gz GHAZAEYVUKPLJQ-LJQANCHMSA-N 1 2 411.509 3.769 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000549115341 1008680893 /nfs/dbraw/zinc/68/08/93/1008680893.db2.gz GHYFNAVAKIYXIO-KRWDZBQOSA-N 1 2 417.550 3.621 20 30 HHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)c1ccco1 ZINC000543485473 1009073878 /nfs/dbraw/zinc/07/38/78/1009073878.db2.gz LYDWFLYAVCTUFB-HXUWFJFHSA-N 1 2 424.476 3.673 20 30 HHEDLO COc1cccc([C@@H]2[C@H](NCc3nnc(-c4ccc(C#N)cc4)o3)CC[N@@H+]2C2CC2)c1 ZINC000549478076 1009076081 /nfs/dbraw/zinc/07/60/81/1009076081.db2.gz PAHVRRXMPSRVIJ-FYYLOGMGSA-N 1 2 415.497 3.684 20 30 HHEDLO COc1cccc([C@@H]2[C@H](NCc3nnc(-c4ccc(C#N)cc4)o3)CC[N@H+]2C2CC2)c1 ZINC000549478076 1009076095 /nfs/dbraw/zinc/07/60/95/1009076095.db2.gz PAHVRRXMPSRVIJ-FYYLOGMGSA-N 1 2 415.497 3.684 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546074169 1009097152 /nfs/dbraw/zinc/09/71/52/1009097152.db2.gz NYSQQICVBBLQEX-MSOLQXFVSA-N 1 2 413.946 3.618 20 30 HHEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546074169 1009097167 /nfs/dbraw/zinc/09/71/67/1009097167.db2.gz NYSQQICVBBLQEX-MSOLQXFVSA-N 1 2 413.946 3.618 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3ccc(F)c(C#N)c3)[nH+]c12 ZINC000546132800 1009158306 /nfs/dbraw/zinc/15/83/06/1009158306.db2.gz LIOKQJFUHFMERY-UHFFFAOYSA-N 1 2 416.254 3.780 20 30 HHEDLO Cc1sc(NC(=O)C[NH2+][C@H](CCO)c2ccccc2Br)c(C#N)c1C ZINC000543811699 1009373586 /nfs/dbraw/zinc/37/35/86/1009373586.db2.gz UWUWLIMLDVZNMB-MRXNPFEDSA-N 1 2 422.348 3.651 20 30 HHEDLO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000549807830 1009415666 /nfs/dbraw/zinc/41/56/66/1009415666.db2.gz FYUNJQCLAPIGAC-QFIPXVFZSA-N 1 2 420.948 3.920 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000543910305 1009496986 /nfs/dbraw/zinc/49/69/86/1009496986.db2.gz WCFXEYOUCOHFBM-LJQANCHMSA-N 1 2 422.529 3.577 20 30 HHEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C2CC2)cc1 ZINC000544108469 1009718490 /nfs/dbraw/zinc/71/84/90/1009718490.db2.gz GYPBIUNSIRXJKM-UHFFFAOYSA-N 1 2 414.509 3.821 20 30 HHEDLO N#Cc1ccc(C[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C2CC2)cc1 ZINC000544108469 1009718500 /nfs/dbraw/zinc/71/85/00/1009718500.db2.gz GYPBIUNSIRXJKM-UHFFFAOYSA-N 1 2 414.509 3.821 20 30 HHEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000550479966 1009970283 /nfs/dbraw/zinc/97/02/83/1009970283.db2.gz FSSGOUZPSCKCML-REWPJTCUSA-N 1 2 417.933 3.890 20 30 HHEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000550479966 1009970292 /nfs/dbraw/zinc/97/02/92/1009970292.db2.gz FSSGOUZPSCKCML-REWPJTCUSA-N 1 2 417.933 3.890 20 30 HHEDLO COc1cc(C#N)ccc1OCCCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000547102776 1010054946 /nfs/dbraw/zinc/05/49/46/1010054946.db2.gz UFYMRVSUDVALEP-UHFFFAOYSA-N 1 2 401.426 3.814 20 30 HHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000550598295 1010056067 /nfs/dbraw/zinc/05/60/67/1010056067.db2.gz AFCIXCKSZMQMRP-QKKBWIMNSA-N 1 2 422.916 3.987 20 30 HHEDLO C[C@](O)(C1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000547344619 1010262414 /nfs/dbraw/zinc/26/24/14/1010262414.db2.gz FDUBBGBOMNTTIL-SFHVURJKSA-N 1 2 417.859 3.612 20 30 HHEDLO N#Cc1cccc(OCCCCc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c1 ZINC000544996529 1010543500 /nfs/dbraw/zinc/54/35/00/1010543500.db2.gz WITVOSZHWICTED-UHFFFAOYSA-N 1 2 418.497 3.842 20 30 HHEDLO C[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000522984116 1011435595 /nfs/dbraw/zinc/43/55/95/1011435595.db2.gz CBTRHPLEIHLNCZ-AWEZNQCLSA-N 1 2 418.360 3.981 20 30 HHEDLO C=CCn1c(SCC(=O)Nc2cc(C)[nH+]cc2C)nnc1-c1ccc(Cl)cc1 ZINC000536575359 1011738414 /nfs/dbraw/zinc/73/84/14/1011738414.db2.gz QRQQUJQRBXNHDI-UHFFFAOYSA-N 1 2 413.934 3.949 20 30 HHEDLO Cc1cn2cc(NC(=O)C(=O)N[C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc2[nH+]1 ZINC000541137868 1011796808 /nfs/dbraw/zinc/79/68/08/1011796808.db2.gz RCBPULXGAATNMW-QGZVFWFLSA-N 1 2 423.476 3.997 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000536675075 1011834636 /nfs/dbraw/zinc/83/46/36/1011834636.db2.gz LPJJCINDJNDRSH-CJNGLKHVSA-N 1 2 424.257 3.910 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000536675075 1011834649 /nfs/dbraw/zinc/83/46/49/1011834649.db2.gz LPJJCINDJNDRSH-CJNGLKHVSA-N 1 2 424.257 3.910 20 30 HHEDLO C=CCOc1cccnc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000537089698 1012448188 /nfs/dbraw/zinc/44/81/88/1012448188.db2.gz RYLVBMDMBOXORO-UHFFFAOYSA-N 1 2 402.458 3.535 20 30 HHEDLO N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)cc2)nc1 ZINC000523956956 1012699207 /nfs/dbraw/zinc/69/92/07/1012699207.db2.gz KCLAJFPXCIAZSY-UHFFFAOYSA-N 1 2 414.465 3.830 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542094213 1013022771 /nfs/dbraw/zinc/02/27/71/1013022771.db2.gz YKHRDVPDTPGTGI-PZJWPPBQSA-N 1 2 413.443 3.959 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542094213 1013022775 /nfs/dbraw/zinc/02/27/75/1013022775.db2.gz YKHRDVPDTPGTGI-PZJWPPBQSA-N 1 2 413.443 3.959 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542094212 1013023314 /nfs/dbraw/zinc/02/33/14/1013023314.db2.gz YKHRDVPDTPGTGI-FPOVZHCZSA-N 1 2 413.443 3.959 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542094212 1013023327 /nfs/dbraw/zinc/02/33/27/1013023327.db2.gz YKHRDVPDTPGTGI-FPOVZHCZSA-N 1 2 413.443 3.959 20 30 HHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000760480335 1072379565 /nfs/dbraw/zinc/37/95/65/1072379565.db2.gz YBKVAMAFVHZEGW-MOPGFXCFSA-N 1 2 402.502 3.562 20 30 HHEDLO N#Cc1cc(Br)ccc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000588204657 1072908745 /nfs/dbraw/zinc/90/87/45/1072908745.db2.gz NJIYLFXOBIIFFZ-INIZCTEOSA-N 1 2 410.109 3.906 20 30 HHEDLO C=C(C)Cn1c(COCC)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000555270822 1073302278 /nfs/dbraw/zinc/30/22/78/1073302278.db2.gz NFSABVASJQMRKP-FQEVSTJZSA-N 1 2 419.520 3.942 20 30 HHEDLO C=CCc1ccc(OCC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c(OC)c1 ZINC000591249746 1074208054 /nfs/dbraw/zinc/20/80/54/1074208054.db2.gz HITYXDUPRJBRPP-SFHVURJKSA-N 1 2 410.514 3.834 20 30 HHEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2csc(COC)n2)cc1OC ZINC000573254832 1074325277 /nfs/dbraw/zinc/32/52/77/1074325277.db2.gz ZVZGZPBXYXSRLD-UHFFFAOYSA-N 1 2 413.337 3.915 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000574317171 1075219587 /nfs/dbraw/zinc/21/95/87/1075219587.db2.gz LUNWREQALHZKPA-CTNGQTDRSA-N 1 2 416.447 3.653 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000574317171 1075219589 /nfs/dbraw/zinc/21/95/89/1075219589.db2.gz LUNWREQALHZKPA-CTNGQTDRSA-N 1 2 416.447 3.653 20 30 HHEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccs3)ccc1C#N)C2 ZINC001165009112 721714142 /nfs/dbraw/zinc/71/41/42/721714142.db2.gz PMUJHUWJZVREKH-UHFFFAOYSA-N 1 2 407.547 3.524 20 30 HHEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3cccs3)ccc1C#N)C2 ZINC001165009112 721714145 /nfs/dbraw/zinc/71/41/45/721714145.db2.gz PMUJHUWJZVREKH-UHFFFAOYSA-N 1 2 407.547 3.524 20 30 HHEDLO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]ccc5ccc(C#N)cc54)CC[C@@H]32)cs1 ZINC001164991744 722180002 /nfs/dbraw/zinc/18/00/02/722180002.db2.gz QVWXORHCTFGDCU-VXKWHMMOSA-N 1 2 419.554 3.741 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)c(Cl)c3)CC2)c(OC)c1OC ZINC000301234842 970824066 /nfs/dbraw/zinc/82/40/66/970824066.db2.gz JTCGOMKSQOOREO-UHFFFAOYSA-N 1 2 401.894 3.560 20 30 HHEDLO N#Cc1cccc(C#N)c1NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000302830460 971339307 /nfs/dbraw/zinc/33/93/07/971339307.db2.gz KLRPIDFMFWGJGQ-UHFFFAOYSA-N 1 2 412.472 3.903 20 30 HHEDLO N#Cc1ccccc1OCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303563965 971858222 /nfs/dbraw/zinc/85/82/22/971858222.db2.gz XTTGDBMKCMBVOY-GOSISDBHSA-N 1 2 401.869 3.510 20 30 HHEDLO N#Cc1ccccc1OCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303563965 971858231 /nfs/dbraw/zinc/85/82/31/971858231.db2.gz XTTGDBMKCMBVOY-GOSISDBHSA-N 1 2 401.869 3.510 20 30 HHEDLO COc1ccccc1COC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000537684576 1013246650 /nfs/dbraw/zinc/24/66/50/1013246650.db2.gz YGXAPUMUERQQSR-UHFFFAOYSA-N 1 2 413.543 3.865 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000021674722 963518266 /nfs/dbraw/zinc/51/82/66/963518266.db2.gz VYRAPJSTEVRQAA-UHFFFAOYSA-N 1 2 422.476 3.785 20 30 HHEDLO C[C@@H](c1nnc(SCC(=O)Nc2ccc(C#N)cc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000022522551 963666928 /nfs/dbraw/zinc/66/69/28/963666928.db2.gz QDRZVFGEWWLRQD-AWEZNQCLSA-N 1 2 424.505 3.631 20 30 HHEDLO Cc1ccc(C)c(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023451288 963828818 /nfs/dbraw/zinc/82/88/18/963828818.db2.gz CVHXSICMCHPXKX-UHFFFAOYSA-N 1 2 403.526 3.873 20 30 HHEDLO Cc1ccc(C)c(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000023451288 963828824 /nfs/dbraw/zinc/82/88/24/963828824.db2.gz CVHXSICMCHPXKX-UHFFFAOYSA-N 1 2 403.526 3.873 20 30 HHEDLO N#Cc1cccc(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000048977842 964102507 /nfs/dbraw/zinc/10/25/07/964102507.db2.gz STMHLFSQMURPGZ-IBGZPJMESA-N 1 2 400.885 3.987 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050959663 964432003 /nfs/dbraw/zinc/43/20/03/964432003.db2.gz BJNYGWHABDCIDQ-UHFFFAOYSA-N 1 2 400.385 3.730 20 30 HHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1OC(F)F ZINC000026160160 964468840 /nfs/dbraw/zinc/46/88/40/964468840.db2.gz DZTQRMQFBJRCLA-MRXNPFEDSA-N 1 2 414.456 3.748 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1OC(F)F ZINC000026452445 964568198 /nfs/dbraw/zinc/56/81/98/964568198.db2.gz ZYGCBEXPNLELEZ-UHFFFAOYSA-N 1 2 403.429 3.675 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1OC(F)F ZINC000026452445 964568227 /nfs/dbraw/zinc/56/82/27/964568227.db2.gz ZYGCBEXPNLELEZ-UHFFFAOYSA-N 1 2 403.429 3.675 20 30 HHEDLO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000026467925 964575104 /nfs/dbraw/zinc/57/51/04/964575104.db2.gz PIXIGQUPLSZZTK-RTBURBONSA-N 1 2 416.525 3.688 20 30 HHEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801383 964988292 /nfs/dbraw/zinc/98/82/92/964988292.db2.gz XFMZCKLQFXPHCA-OAHLLOKOSA-N 1 2 400.885 3.890 20 30 HHEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801383 964988295 /nfs/dbraw/zinc/98/82/95/964988295.db2.gz XFMZCKLQFXPHCA-OAHLLOKOSA-N 1 2 400.885 3.890 20 30 HHEDLO COc1ccc([C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(C)C)cc1 ZINC000054974000 965715798 /nfs/dbraw/zinc/71/57/98/965715798.db2.gz WRDNQRBAYDDDIQ-HSZRJFAPSA-N 1 2 406.530 3.791 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000055049882 965744050 /nfs/dbraw/zinc/74/40/50/965744050.db2.gz FEONCBYBRPZQTN-HXUWFJFHSA-N 1 2 410.518 3.762 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000058931557 965960896 /nfs/dbraw/zinc/96/08/96/965960896.db2.gz HJHDMKRRRSACJU-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000058931557 965960901 /nfs/dbraw/zinc/96/09/01/965960901.db2.gz HJHDMKRRRSACJU-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000060290040 966084290 /nfs/dbraw/zinc/08/42/90/966084290.db2.gz NVWAQTYQPZRPQW-UHFFFAOYSA-N 1 2 419.876 3.628 20 30 HHEDLO N#Cc1ccccc1OCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000060464841 966156998 /nfs/dbraw/zinc/15/69/98/966156998.db2.gz QRASFMOPFARRQW-UHFFFAOYSA-N 1 2 406.349 3.579 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000056750831 966446515 /nfs/dbraw/zinc/44/65/15/966446515.db2.gz MIVRNOPIXQBPLK-HNNXBMFYSA-N 1 2 414.893 3.846 20 30 HHEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Br ZINC000043261251 966937729 /nfs/dbraw/zinc/93/77/29/966937729.db2.gz KGUKWXGIKUYRHO-UHFFFAOYSA-N 1 2 413.319 3.979 20 30 HHEDLO COCC[N@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)Cc1ccc(C#N)cc1 ZINC000063754248 966947152 /nfs/dbraw/zinc/94/71/52/966947152.db2.gz UQWSNSVVJYKYQT-IBGZPJMESA-N 1 2 405.542 3.763 20 30 HHEDLO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)Cc1ccc(C#N)cc1 ZINC000063754248 966947160 /nfs/dbraw/zinc/94/71/60/966947160.db2.gz UQWSNSVVJYKYQT-IBGZPJMESA-N 1 2 405.542 3.763 20 30 HHEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000063753559 966947176 /nfs/dbraw/zinc/94/71/76/966947176.db2.gz OFXFARBAKNMELE-XMMPIXPASA-N 1 2 421.541 3.769 20 30 HHEDLO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000063753559 966947184 /nfs/dbraw/zinc/94/71/84/966947184.db2.gz OFXFARBAKNMELE-XMMPIXPASA-N 1 2 421.541 3.769 20 30 HHEDLO COCC[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)Cc1ccc(C#N)cc1 ZINC000063753618 966947206 /nfs/dbraw/zinc/94/72/06/966947206.db2.gz FQWHJJFAQFCWSV-UHFFFAOYSA-N 1 2 423.532 3.774 20 30 HHEDLO COCC[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)Cc1ccc(C#N)cc1 ZINC000063753618 966947208 /nfs/dbraw/zinc/94/72/08/966947208.db2.gz FQWHJJFAQFCWSV-UHFFFAOYSA-N 1 2 423.532 3.774 20 30 HHEDLO COCC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1ccc(C#N)cc1 ZINC000063753638 966947556 /nfs/dbraw/zinc/94/75/56/966947556.db2.gz HMCHFASTUDFVOS-UHFFFAOYSA-N 1 2 420.340 3.672 20 30 HHEDLO COCC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1ccc(C#N)cc1 ZINC000063753638 966947572 /nfs/dbraw/zinc/94/75/72/966947572.db2.gz HMCHFASTUDFVOS-UHFFFAOYSA-N 1 2 420.340 3.672 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccc(C#N)cc1 ZINC000063754497 966947814 /nfs/dbraw/zinc/94/78/14/966947814.db2.gz YGGNEOUSTKODEZ-UHFFFAOYSA-N 1 2 416.319 3.716 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1ccc(Br)cc1C)Cc1ccc(C#N)cc1 ZINC000063754497 966947820 /nfs/dbraw/zinc/94/78/20/966947820.db2.gz YGGNEOUSTKODEZ-UHFFFAOYSA-N 1 2 416.319 3.716 20 30 HHEDLO CN(C(=O)C[NH+]1CCC(CC#N)CC1)[C@]1(c2ccccc2Cl)CCCCC1=O ZINC000542880122 1013728896 /nfs/dbraw/zinc/72/88/96/1013728896.db2.gz YTLWUPAAKVTKNT-QFIPXVFZSA-N 1 2 401.938 3.762 20 30 HHEDLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000045840553 967570422 /nfs/dbraw/zinc/57/04/22/967570422.db2.gz BCEDEGSVSLOICN-QGZVFWFLSA-N 1 2 405.477 3.935 20 30 HHEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)nc21 ZINC000554014431 1013754374 /nfs/dbraw/zinc/75/43/74/1013754374.db2.gz YNPIWRNGTPAOAQ-MBOZVWFJSA-N 1 2 402.498 3.971 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccccc3Br)CC2)cc1 ZINC000048163652 968465941 /nfs/dbraw/zinc/46/59/41/968465941.db2.gz MEFQHFLKPSOMTN-UHFFFAOYSA-N 1 2 412.331 3.598 20 30 HHEDLO Cc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c(F)c1 ZINC000097571436 969165331 /nfs/dbraw/zinc/16/53/31/969165331.db2.gz LGGCYBILDUHWSW-INIZCTEOSA-N 1 2 422.460 3.772 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc3ccc(C)c(F)c3)c2)n1 ZINC000097571568 969166078 /nfs/dbraw/zinc/16/60/78/969166078.db2.gz IUWZZBHSGVHVRI-KRWDZBQOSA-N 1 2 423.492 3.660 20 30 HHEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000108105363 969357948 /nfs/dbraw/zinc/35/79/48/969357948.db2.gz VUWOYKNPWVLFAR-UHFFFAOYSA-N 1 2 404.297 3.702 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110477825 969675874 /nfs/dbraw/zinc/67/58/74/969675874.db2.gz ZAMHHCMPNQXEDH-OAHLLOKOSA-N 1 2 411.462 3.627 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110477825 969675877 /nfs/dbraw/zinc/67/58/77/969675877.db2.gz ZAMHHCMPNQXEDH-OAHLLOKOSA-N 1 2 411.462 3.627 20 30 HHEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000112623348 969819230 /nfs/dbraw/zinc/81/92/30/969819230.db2.gz HXYAXIOJMXXCSA-LJQANCHMSA-N 1 2 413.543 3.501 20 30 HHEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000112623348 969819234 /nfs/dbraw/zinc/81/92/34/969819234.db2.gz HXYAXIOJMXXCSA-LJQANCHMSA-N 1 2 413.543 3.501 20 30 HHEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3sc4c(c3C#N)CCCC4)CCCCC2)no1 ZINC000138830200 970012280 /nfs/dbraw/zinc/01/22/80/970012280.db2.gz JXOUTIOJAMVOGF-UHFFFAOYSA-N 1 2 413.547 3.968 20 30 HHEDLO C#CC[NH+]1CCN(Cn2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3)c2=S)CC1 ZINC000219626356 970093871 /nfs/dbraw/zinc/09/38/71/970093871.db2.gz YTUVQDHAEWDYQD-UHFFFAOYSA-N 1 2 417.582 3.895 20 30 HHEDLO COc1cc(Br)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(OC)c1 ZINC000554559524 1013977222 /nfs/dbraw/zinc/97/72/22/1013977222.db2.gz ADBWLOCFKBHWLV-UHFFFAOYSA-N 1 2 416.319 3.919 20 30 HHEDLO C=CCc1ccc(OCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(OC)c1 ZINC000410311826 973855973 /nfs/dbraw/zinc/85/59/73/973855973.db2.gz IRIZBBYMHQRSOH-UHFFFAOYSA-N 1 2 409.530 3.894 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426211863 974315926 /nfs/dbraw/zinc/31/59/26/974315926.db2.gz WATSYUAETCGDBN-GJZGRUSLSA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426211863 974315929 /nfs/dbraw/zinc/31/59/29/974315929.db2.gz WATSYUAETCGDBN-GJZGRUSLSA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000428811539 976090639 /nfs/dbraw/zinc/09/06/39/976090639.db2.gz VODCWJPQYIDJMK-CZUORRHYSA-N 1 2 419.312 3.591 20 30 HHEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000428811539 976090650 /nfs/dbraw/zinc/09/06/50/976090650.db2.gz VODCWJPQYIDJMK-CZUORRHYSA-N 1 2 419.312 3.591 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(-c4c(Cl)cccc4Cl)o3)C2)nc1 ZINC000428818996 976098511 /nfs/dbraw/zinc/09/85/11/976098511.db2.gz OOCFLZDTZLJNFG-CYBMUJFWSA-N 1 2 416.268 3.963 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(-c4c(Cl)cccc4Cl)o3)C2)nc1 ZINC000428818996 976098526 /nfs/dbraw/zinc/09/85/26/976098526.db2.gz OOCFLZDTZLJNFG-CYBMUJFWSA-N 1 2 416.268 3.963 20 30 HHEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1cccs1 ZINC000428818808 976098549 /nfs/dbraw/zinc/09/85/49/976098549.db2.gz OBXWDHGYIVFRCX-IBGZPJMESA-N 1 2 420.538 3.817 20 30 HHEDLO Cc1cc(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1cccs1 ZINC000428818808 976098561 /nfs/dbraw/zinc/09/85/61/976098561.db2.gz OBXWDHGYIVFRCX-IBGZPJMESA-N 1 2 420.538 3.817 20 30 HHEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428930809 976231645 /nfs/dbraw/zinc/23/16/45/976231645.db2.gz NDFBVHCYYGAJAP-QFIXIFRTSA-N 1 2 420.431 3.779 20 30 HHEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428930809 976231653 /nfs/dbraw/zinc/23/16/53/976231653.db2.gz NDFBVHCYYGAJAP-QFIXIFRTSA-N 1 2 420.431 3.779 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000430270294 977435920 /nfs/dbraw/zinc/43/59/20/977435920.db2.gz UTVQTCZZRDBBLE-XBJMDHIQSA-N 1 2 413.562 3.597 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000430270294 977435924 /nfs/dbraw/zinc/43/59/24/977435924.db2.gz UTVQTCZZRDBBLE-XBJMDHIQSA-N 1 2 413.562 3.597 20 30 HHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000430509862 977607884 /nfs/dbraw/zinc/60/78/84/977607884.db2.gz PJRDAFUWSQKYAJ-UHFFFAOYSA-N 1 2 404.518 3.775 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000431813057 978532225 /nfs/dbraw/zinc/53/22/25/978532225.db2.gz VKUSDFROJOIXRJ-CTNGQTDRSA-N 1 2 405.502 3.530 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)no1 ZINC000431818853 978535949 /nfs/dbraw/zinc/53/59/49/978535949.db2.gz URDNPRWVHOKFLL-LJQANCHMSA-N 1 2 410.522 3.698 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)no1 ZINC000431818853 978535952 /nfs/dbraw/zinc/53/59/52/978535952.db2.gz URDNPRWVHOKFLL-LJQANCHMSA-N 1 2 410.522 3.698 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000431920326 978601575 /nfs/dbraw/zinc/60/15/75/978601575.db2.gz FZNGHMUTQUQCJY-UHFFFAOYSA-N 1 2 418.453 3.523 20 30 HHEDLO N#Cc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)cc1C(F)(F)F ZINC000433792600 979577571 /nfs/dbraw/zinc/57/75/71/979577571.db2.gz OEOMDVYCIIDKRR-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434713566 980348878 /nfs/dbraw/zinc/34/88/78/980348878.db2.gz IQPHIPBIYVQQAX-OAQYLSRUSA-N 1 2 419.554 3.968 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434713566 980348882 /nfs/dbraw/zinc/34/88/82/980348882.db2.gz IQPHIPBIYVQQAX-OAQYLSRUSA-N 1 2 419.554 3.968 20 30 HHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000435025090 980580125 /nfs/dbraw/zinc/58/01/25/980580125.db2.gz HMEMCGZVCACURL-HNAYVOBHSA-N 1 2 414.962 3.757 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000435058410 980603102 /nfs/dbraw/zinc/60/31/02/980603102.db2.gz SSJJXVGRCZIDAH-JOCHJYFZSA-N 1 2 406.461 3.866 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000435058410 980603104 /nfs/dbraw/zinc/60/31/04/980603104.db2.gz SSJJXVGRCZIDAH-JOCHJYFZSA-N 1 2 406.461 3.866 20 30 HHEDLO N#Cc1cccc(C2(C(=O)Nc3nc4ccccc4n3CCCn3cc[nH+]c3)CC2)c1 ZINC000435363993 980813383 /nfs/dbraw/zinc/81/33/83/980813383.db2.gz NFOAQQTWHYXBQU-UHFFFAOYSA-N 1 2 410.481 3.865 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)cc1 ZINC000436754182 981546624 /nfs/dbraw/zinc/54/66/24/981546624.db2.gz HLDASUUCWWBFQQ-UHFFFAOYSA-N 1 2 404.297 3.919 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)cc1 ZINC000436754182 981546628 /nfs/dbraw/zinc/54/66/28/981546628.db2.gz HLDASUUCWWBFQQ-UHFFFAOYSA-N 1 2 404.297 3.919 20 30 HHEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000448518894 981845332 /nfs/dbraw/zinc/84/53/32/981845332.db2.gz HDYZNHINHWGIRR-UHFFFAOYSA-N 1 2 418.419 3.806 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000437980936 982504586 /nfs/dbraw/zinc/50/45/86/982504586.db2.gz AXQCESFZDMALDQ-ICSRJNTNSA-N 1 2 402.926 3.730 20 30 HHEDLO C=C(C)Cn1c(-c2cccn2C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460943530 982680544 /nfs/dbraw/zinc/68/05/44/982680544.db2.gz MKNFAYJSFUGXLS-UHFFFAOYSA-N 1 2 419.577 3.998 20 30 HHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438658116 982976025 /nfs/dbraw/zinc/97/60/25/982976025.db2.gz YZQDIQOWEKFTJF-UHFFFAOYSA-N 1 2 412.465 3.722 20 30 HHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438658116 982976030 /nfs/dbraw/zinc/97/60/30/982976030.db2.gz YZQDIQOWEKFTJF-UHFFFAOYSA-N 1 2 412.465 3.722 20 30 HHEDLO CC(C)(CNC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[NH+]1CCOCC1 ZINC000438663759 982982341 /nfs/dbraw/zinc/98/23/41/982982341.db2.gz IZANVZNLHDFVIP-UHFFFAOYSA-N 1 2 412.465 3.722 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CNC(=O)Nc3ccccc3)o2)c1 ZINC000438696115 983008926 /nfs/dbraw/zinc/00/89/26/983008926.db2.gz LEIWNWBNXFQNLG-HXUWFJFHSA-N 1 2 416.485 3.784 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CNC(=O)Nc3ccccc3)o2)c1 ZINC000438696115 983008936 /nfs/dbraw/zinc/00/89/36/983008936.db2.gz LEIWNWBNXFQNLG-HXUWFJFHSA-N 1 2 416.485 3.784 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000439584196 983461225 /nfs/dbraw/zinc/46/12/25/983461225.db2.gz VUMWGXUSACGUPB-MOPGFXCFSA-N 1 2 408.468 3.754 20 30 HHEDLO CCCc1c(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cnn1-c1cccc(C#N)c1 ZINC000439678756 983497649 /nfs/dbraw/zinc/49/76/49/983497649.db2.gz DWRXQUAMUUNEGA-FQEVSTJZSA-N 1 2 416.485 3.777 20 30 HHEDLO CC(C)[C@H](CNc1c(C#N)cnc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000440673122 983847007 /nfs/dbraw/zinc/84/70/07/983847007.db2.gz DOIZIJYPPRVIGS-SFHVURJKSA-N 1 2 416.367 3.553 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000440988585 984013725 /nfs/dbraw/zinc/01/37/25/984013725.db2.gz MNXGZCIPVKZMJC-NROWEWAWSA-N 1 2 408.468 3.868 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000440988585 984013732 /nfs/dbraw/zinc/01/37/32/984013732.db2.gz MNXGZCIPVKZMJC-NROWEWAWSA-N 1 2 408.468 3.868 20 30 HHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)c(O)c1 ZINC000442964893 985305240 /nfs/dbraw/zinc/30/52/40/985305240.db2.gz JOYLQPNGQKMYJS-UHFFFAOYSA-N 1 2 404.470 3.592 20 30 HHEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1OC ZINC000468469422 986163057 /nfs/dbraw/zinc/16/30/57/986163057.db2.gz LBKDFWZXGJZZDE-LJQANCHMSA-N 1 2 419.319 3.681 20 30 HHEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1OC ZINC000468469422 986163059 /nfs/dbraw/zinc/16/30/59/986163059.db2.gz LBKDFWZXGJZZDE-LJQANCHMSA-N 1 2 419.319 3.681 20 30 HHEDLO N#Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000444035402 986232321 /nfs/dbraw/zinc/23/23/21/986232321.db2.gz WBYACMSQWPSNOU-UHFFFAOYSA-N 1 2 407.948 3.561 20 30 HHEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Br)s1 ZINC000463284887 986251871 /nfs/dbraw/zinc/25/18/71/986251871.db2.gz XIJHVORPBBJZSE-CQSZACIVSA-N 1 2 418.360 3.830 20 30 HHEDLO C[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000468841533 986551740 /nfs/dbraw/zinc/55/17/40/986551740.db2.gz FSQORPHZGQAYRR-DNVCBOLYSA-N 1 2 406.515 3.917 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000463590501 986566977 /nfs/dbraw/zinc/56/69/77/986566977.db2.gz KGLJTMJHYNHOBW-CTNGQTDRSA-N 1 2 402.441 3.713 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000463590501 986566987 /nfs/dbraw/zinc/56/69/87/986566987.db2.gz KGLJTMJHYNHOBW-CTNGQTDRSA-N 1 2 402.441 3.713 20 30 HHEDLO CC[C@@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469030158 986740181 /nfs/dbraw/zinc/74/01/81/986740181.db2.gz QWQDZFWLRHNYTE-CABCVRRESA-N 1 2 424.467 3.695 20 30 HHEDLO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469030158 986740188 /nfs/dbraw/zinc/74/01/88/986740188.db2.gz QWQDZFWLRHNYTE-CABCVRRESA-N 1 2 424.467 3.695 20 30 HHEDLO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444583744 986770544 /nfs/dbraw/zinc/77/05/44/986770544.db2.gz PPSBXGDDQWMOEV-UHFFFAOYSA-N 1 2 414.575 3.570 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469059958 986771570 /nfs/dbraw/zinc/77/15/70/986771570.db2.gz OOIAKQWCZRXOCK-UHFFFAOYSA-N 1 2 422.529 3.665 20 30 HHEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 ZINC000469150912 986874105 /nfs/dbraw/zinc/87/41/05/986874105.db2.gz IKKFKBIXVKBOCJ-GOSISDBHSA-N 1 2 405.376 3.638 20 30 HHEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)C1 ZINC000469150912 986874120 /nfs/dbraw/zinc/87/41/20/986874120.db2.gz IKKFKBIXVKBOCJ-GOSISDBHSA-N 1 2 405.376 3.638 20 30 HHEDLO Cc1cc(Br)ccc1C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000444712452 986884369 /nfs/dbraw/zinc/88/43/69/986884369.db2.gz YRGVNHKCIFNQMJ-UHFFFAOYSA-N 1 2 407.333 3.535 20 30 HHEDLO Cc1cc(Br)ccc1C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000444712452 986884387 /nfs/dbraw/zinc/88/43/87/986884387.db2.gz YRGVNHKCIFNQMJ-UHFFFAOYSA-N 1 2 407.333 3.535 20 30 HHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469211195 986933435 /nfs/dbraw/zinc/93/34/35/986933435.db2.gz LYLDYJGBYQDRNH-JOCHJYFZSA-N 1 2 406.530 3.901 20 30 HHEDLO N#Cc1cc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OCC(F)(F)F ZINC000469505679 987182715 /nfs/dbraw/zinc/18/27/15/987182715.db2.gz WOSYBNOUJQVKBL-INIZCTEOSA-N 1 2 406.364 3.580 20 30 HHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000470269192 988218920 /nfs/dbraw/zinc/21/89/20/988218920.db2.gz UEZVDNLKVYLQRH-FQEVSTJZSA-N 1 2 400.482 3.891 20 30 HHEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(Br)cc4cccnc43)CC2)c1 ZINC000470359135 988325189 /nfs/dbraw/zinc/32/51/89/988325189.db2.gz KWSVCOAKETVKQM-UHFFFAOYSA-N 1 2 408.303 3.586 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470931248 989001661 /nfs/dbraw/zinc/00/16/61/989001661.db2.gz KBOZQGQTBFIGQL-RHSMWYFYSA-N 1 2 408.424 3.829 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470931248 989001673 /nfs/dbraw/zinc/00/16/73/989001673.db2.gz KBOZQGQTBFIGQL-RHSMWYFYSA-N 1 2 408.424 3.829 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1ccccc1SC ZINC000471024141 989095357 /nfs/dbraw/zinc/09/53/57/989095357.db2.gz YMPVEKFTNKPWGX-UHFFFAOYSA-N 1 2 414.575 3.806 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)Cc1ccccc1SC ZINC000471024141 989095369 /nfs/dbraw/zinc/09/53/69/989095369.db2.gz YMPVEKFTNKPWGX-UHFFFAOYSA-N 1 2 414.575 3.806 20 30 HHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000471149401 989264259 /nfs/dbraw/zinc/26/42/59/989264259.db2.gz VEIQRJPBSDTTAV-DEOSSOPVSA-N 1 2 402.542 3.695 20 30 HHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000471729804 989925826 /nfs/dbraw/zinc/92/58/26/989925826.db2.gz WDQCAHBEMWWRMA-UHFFFAOYSA-N 1 2 423.557 3.686 20 30 HHEDLO CC(C)(C)NC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000482537153 995545252 /nfs/dbraw/zinc/54/52/52/995545252.db2.gz ZMZGPBFCCYIQKN-UHFFFAOYSA-N 1 2 406.530 3.763 20 30 HHEDLO N#CC1(NC(=O)CCC(=O)c2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000482540647 995548402 /nfs/dbraw/zinc/54/84/02/995548402.db2.gz YDZCOWRLCHQCHT-UHFFFAOYSA-N 1 2 409.917 3.977 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000482942740 995870428 /nfs/dbraw/zinc/87/04/28/995870428.db2.gz IWMAHOUUJBBFQB-GOSISDBHSA-N 1 2 424.570 3.543 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3OCC(F)F)CC2)cc1 ZINC000475040132 995887130 /nfs/dbraw/zinc/88/71/30/995887130.db2.gz KVWCDJGVSHIEPB-UHFFFAOYSA-N 1 2 400.429 3.552 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C(C)(C)C#N)cc3)CCCC2)no1 ZINC000475177890 995975111 /nfs/dbraw/zinc/97/51/11/995975111.db2.gz WRNBGEMZHBJSFH-UHFFFAOYSA-N 1 2 409.534 3.912 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000483244458 996057393 /nfs/dbraw/zinc/05/73/93/996057393.db2.gz ODNJWVVNFJSMLQ-SFHVURJKSA-N 1 2 404.470 3.559 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475400548 996115584 /nfs/dbraw/zinc/11/55/84/996115584.db2.gz OXMGORJAWLELNY-FYYLOGMGSA-N 1 2 406.505 3.861 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)ccc1Cl ZINC000483354178 996119711 /nfs/dbraw/zinc/11/97/11/996119711.db2.gz JASFKVMKAOOSFM-JOCHJYFZSA-N 1 2 419.953 3.555 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)ccc1Cl ZINC000483354178 996119715 /nfs/dbraw/zinc/11/97/15/996119715.db2.gz JASFKVMKAOOSFM-JOCHJYFZSA-N 1 2 419.953 3.555 20 30 HHEDLO C=CCOc1ccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)cc1Cl ZINC000475430337 996132990 /nfs/dbraw/zinc/13/29/90/996132990.db2.gz KCPDTBYUISEGGN-QGZVFWFLSA-N 1 2 409.711 3.984 20 30 HHEDLO C=CCOc1ccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1Cl ZINC000475430335 996133110 /nfs/dbraw/zinc/13/31/10/996133110.db2.gz KCPDTBYUISEGGN-KRWDZBQOSA-N 1 2 409.711 3.984 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)C2 ZINC000475457769 996152821 /nfs/dbraw/zinc/15/28/21/996152821.db2.gz PBSQGIMQKPNXJC-DYVFJYSZSA-N 1 2 401.308 3.782 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)CC2 ZINC000475457769 996152825 /nfs/dbraw/zinc/15/28/25/996152825.db2.gz PBSQGIMQKPNXJC-DYVFJYSZSA-N 1 2 401.308 3.782 20 30 HHEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000484557944 996890525 /nfs/dbraw/zinc/89/05/25/996890525.db2.gz QZCKARDHLJBJNI-LLVKDONJSA-N 1 2 420.145 3.673 20 30 HHEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000484557944 996890534 /nfs/dbraw/zinc/89/05/34/996890534.db2.gz QZCKARDHLJBJNI-LLVKDONJSA-N 1 2 420.145 3.673 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000476543221 997035801 /nfs/dbraw/zinc/03/58/01/997035801.db2.gz UVBCIXSWUUHOQB-NWSQWKLXSA-N 1 2 411.933 3.915 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000476543221 997035813 /nfs/dbraw/zinc/03/58/13/997035813.db2.gz UVBCIXSWUUHOQB-NWSQWKLXSA-N 1 2 411.933 3.915 20 30 HHEDLO C=CCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000476877509 997456687 /nfs/dbraw/zinc/45/66/87/997456687.db2.gz BENYGAJVJOPENH-SIKLNZKXSA-N 1 2 423.557 3.827 20 30 HHEDLO C=CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000476877509 997456695 /nfs/dbraw/zinc/45/66/95/997456695.db2.gz BENYGAJVJOPENH-SIKLNZKXSA-N 1 2 423.557 3.827 20 30 HHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485257466 997648936 /nfs/dbraw/zinc/64/89/36/997648936.db2.gz QQIDQPVLWAMAPT-QGZVFWFLSA-N 1 2 414.469 3.601 20 30 HHEDLO Cc1cc(-c2noc([C@@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)ccc1F ZINC000485306384 997714691 /nfs/dbraw/zinc/71/46/91/997714691.db2.gz VJTWROSNGKJYRE-FOIQADDNSA-N 1 2 419.460 3.902 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)C2 ZINC000477119265 997774927 /nfs/dbraw/zinc/77/49/27/997774927.db2.gz HNBJBTCIJOHKJH-INIZCTEOSA-N 1 2 411.937 3.512 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)CC2 ZINC000477119265 997774937 /nfs/dbraw/zinc/77/49/37/997774937.db2.gz HNBJBTCIJOHKJH-INIZCTEOSA-N 1 2 411.937 3.512 20 30 HHEDLO N#Cc1ccc(SCC(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000485412385 997845346 /nfs/dbraw/zinc/84/53/46/997845346.db2.gz PRUXCRATPKCHOG-UHFFFAOYSA-N 1 2 416.510 3.926 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000477249715 997924884 /nfs/dbraw/zinc/92/48/84/997924884.db2.gz IDVWIPLBAXOIRU-HXUWFJFHSA-N 1 2 418.484 3.963 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000485657053 998106088 /nfs/dbraw/zinc/10/60/88/998106088.db2.gz LDCLOLXAXSTKDK-WIYYLYMNSA-N 1 2 402.441 3.713 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1OC ZINC000485657053 998106097 /nfs/dbraw/zinc/10/60/97/998106097.db2.gz LDCLOLXAXSTKDK-WIYYLYMNSA-N 1 2 402.441 3.713 20 30 HHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485749642 998220998 /nfs/dbraw/zinc/22/09/98/998220998.db2.gz ZFNSADCTLVPIKC-JOCHJYFZSA-N 1 2 404.514 3.713 20 30 HHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485749642 998221010 /nfs/dbraw/zinc/22/10/10/998221010.db2.gz ZFNSADCTLVPIKC-JOCHJYFZSA-N 1 2 404.514 3.713 20 30 HHEDLO COc1cccc([C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)c1 ZINC000486123703 998571970 /nfs/dbraw/zinc/57/19/70/998571970.db2.gz GTYJMHICLVSFAA-LJQANCHMSA-N 1 2 411.527 3.519 20 30 HHEDLO COc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)c1 ZINC000486123703 998571984 /nfs/dbraw/zinc/57/19/84/998571984.db2.gz GTYJMHICLVSFAA-LJQANCHMSA-N 1 2 411.527 3.519 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000477859523 998610862 /nfs/dbraw/zinc/61/08/62/998610862.db2.gz UEDGKCVPCCQPTK-UHFFFAOYSA-N 1 2 412.415 3.801 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1C ZINC000478327822 998890730 /nfs/dbraw/zinc/89/07/30/998890730.db2.gz OJULEKNSCHHEEC-XMMPIXPASA-N 1 2 419.504 3.802 20 30 HHEDLO C=CCN(CCOC)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000478614033 999047472 /nfs/dbraw/zinc/04/74/72/999047472.db2.gz YORDPBKLWGIENP-UHFFFAOYSA-N 1 2 404.514 3.942 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1C ZINC000489009959 999671012 /nfs/dbraw/zinc/67/10/12/999671012.db2.gz IYFUYFBHXRILKA-LJQANCHMSA-N 1 2 410.493 3.628 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1C ZINC000489009959 999671015 /nfs/dbraw/zinc/67/10/15/999671015.db2.gz IYFUYFBHXRILKA-LJQANCHMSA-N 1 2 410.493 3.628 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236710 999917850 /nfs/dbraw/zinc/91/78/50/999917850.db2.gz CKWFDQFHWDYLAM-PXNSSMCTSA-N 1 2 400.429 3.802 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000490236710 999917853 /nfs/dbraw/zinc/91/78/53/999917853.db2.gz CKWFDQFHWDYLAM-PXNSSMCTSA-N 1 2 400.429 3.802 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236686 999917937 /nfs/dbraw/zinc/91/79/37/999917937.db2.gz CKWFDQFHWDYLAM-FXAWDEMLSA-N 1 2 400.429 3.802 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000490236686 999917938 /nfs/dbraw/zinc/91/79/38/999917938.db2.gz CKWFDQFHWDYLAM-FXAWDEMLSA-N 1 2 400.429 3.802 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000492540295 1000131686 /nfs/dbraw/zinc/13/16/86/1000131686.db2.gz OEKVGHRKLUBDQE-UHFFFAOYSA-N 1 2 411.815 3.703 20 30 HHEDLO C[N@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000494263543 1000398474 /nfs/dbraw/zinc/39/84/74/1000398474.db2.gz ZBEZNKHKFMSBCY-OAHLLOKOSA-N 1 2 408.296 3.759 20 30 HHEDLO C[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000494263543 1000398477 /nfs/dbraw/zinc/39/84/77/1000398477.db2.gz ZBEZNKHKFMSBCY-OAHLLOKOSA-N 1 2 408.296 3.759 20 30 HHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)c1 ZINC000505494940 1000824275 /nfs/dbraw/zinc/82/42/75/1000824275.db2.gz OUKSUJMPZIBKEQ-DVECYGJZSA-N 1 2 421.541 3.876 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1OCc1ccccc1 ZINC000506270925 1001320675 /nfs/dbraw/zinc/32/06/75/1001320675.db2.gz WNLTXTCEDKOLQP-UHFFFAOYSA-N 1 2 414.509 3.863 20 30 HHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000497493824 1001399294 /nfs/dbraw/zinc/39/92/94/1001399294.db2.gz MRBVDCPHHLJTGN-INIZCTEOSA-N 1 2 401.938 3.966 20 30 HHEDLO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507277963 1001962317 /nfs/dbraw/zinc/96/23/17/1001962317.db2.gz KMNPGQXUJDVZIY-FQEVSTJZSA-N 1 2 402.542 3.508 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC2)cc1 ZINC000498585707 1001997074 /nfs/dbraw/zinc/99/70/74/1001997074.db2.gz YJULXRJKMXDTTI-UHFFFAOYSA-N 1 2 423.944 3.604 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Br)c3)CC2)cc1 ZINC000498585250 1001997146 /nfs/dbraw/zinc/99/71/46/1001997146.db2.gz WHEYGFKDIKTKOU-RTWAWAEBSA-N 1 2 424.342 3.769 20 30 HHEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507847390 1002386395 /nfs/dbraw/zinc/38/63/95/1002386395.db2.gz NBPCMNDRUCAOQS-UHFFFAOYSA-N 1 2 418.541 3.949 20 30 HHEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000499033145 1002410568 /nfs/dbraw/zinc/41/05/68/1002410568.db2.gz YGYNLOOCURKITD-UZLBHIALSA-N 1 2 413.543 3.693 20 30 HHEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000499033145 1002410573 /nfs/dbraw/zinc/41/05/73/1002410573.db2.gz YGYNLOOCURKITD-UZLBHIALSA-N 1 2 413.543 3.693 20 30 HHEDLO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000499078519 1002464407 /nfs/dbraw/zinc/46/44/07/1002464407.db2.gz UHRLPMWFGBDVMV-IWMITWMQSA-N 1 2 412.921 3.644 20 30 HHEDLO C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000499078519 1002464412 /nfs/dbraw/zinc/46/44/12/1002464412.db2.gz UHRLPMWFGBDVMV-IWMITWMQSA-N 1 2 412.921 3.644 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000508610605 1003065396 /nfs/dbraw/zinc/06/53/96/1003065396.db2.gz XIZWOUKNBNTQHX-UHFFFAOYSA-N 1 2 400.442 3.519 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1SC ZINC000508616354 1003071119 /nfs/dbraw/zinc/07/11/19/1003071119.db2.gz CHGOZQGCQWUNLA-UHFFFAOYSA-N 1 2 410.499 3.859 20 30 HHEDLO CCOc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC ZINC000508619614 1003072761 /nfs/dbraw/zinc/07/27/61/1003072761.db2.gz MXWAEGMVCCGKMF-UHFFFAOYSA-N 1 2 408.458 3.536 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000508631664 1003082527 /nfs/dbraw/zinc/08/25/27/1003082527.db2.gz LKGOFYWUGUJZCI-UHFFFAOYSA-N 1 2 418.432 3.658 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000499941397 1003264995 /nfs/dbraw/zinc/26/49/95/1003264995.db2.gz YFQFEUSOXWKADE-IBGZPJMESA-N 1 2 403.885 3.666 20 30 HHEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000499959359 1003279270 /nfs/dbraw/zinc/27/92/70/1003279270.db2.gz APTRHRIBZCTSQD-UGSOOPFHSA-N 1 2 407.848 3.577 20 30 HHEDLO N#Cc1c2c(sc1NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F)CCCCC2 ZINC000499960063 1003279499 /nfs/dbraw/zinc/27/94/99/1003279499.db2.gz BWVWGTAKJCOGLW-INIZCTEOSA-N 1 2 421.925 3.943 20 30 HHEDLO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000508912267 1003351798 /nfs/dbraw/zinc/35/17/98/1003351798.db2.gz LCJUUZZSBHRJQO-UHFFFAOYSA-N 1 2 407.493 3.601 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000509235935 1003644496 /nfs/dbraw/zinc/64/44/96/1003644496.db2.gz OGLPZOSGRHXIRY-UHFFFAOYSA-N 1 2 414.531 3.807 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000511850192 1003829394 /nfs/dbraw/zinc/82/93/94/1003829394.db2.gz NTZBSNHPBLKYKP-PZJWPPBQSA-N 1 2 419.422 3.729 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000511850192 1003829400 /nfs/dbraw/zinc/82/94/00/1003829400.db2.gz NTZBSNHPBLKYKP-PZJWPPBQSA-N 1 2 419.422 3.729 20 30 HHEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000500873602 1004019704 /nfs/dbraw/zinc/01/97/04/1004019704.db2.gz DILCQMPBPRHQLW-HSZRJFAPSA-N 1 2 406.507 3.850 20 30 HHEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000509802311 1004108385 /nfs/dbraw/zinc/10/83/85/1004108385.db2.gz GGTAJKIWLFFRHO-OAHLLOKOSA-N 1 2 401.894 3.958 20 30 HHEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000509802311 1004108393 /nfs/dbraw/zinc/10/83/93/1004108393.db2.gz GGTAJKIWLFFRHO-OAHLLOKOSA-N 1 2 401.894 3.958 20 30 HHEDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000512254981 1004157290 /nfs/dbraw/zinc/15/72/90/1004157290.db2.gz ZOTBKWRTDUBJPC-UHFFFAOYSA-N 1 2 421.541 3.655 20 30 HHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000512449116 1004310848 /nfs/dbraw/zinc/31/08/48/1004310848.db2.gz BUVSRGZINZLKLM-UHFFFAOYSA-N 1 2 412.522 3.947 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000512517437 1004356023 /nfs/dbraw/zinc/35/60/23/1004356023.db2.gz WEOLRAGJQSNCDW-INIZCTEOSA-N 1 2 401.486 3.718 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000512517437 1004356032 /nfs/dbraw/zinc/35/60/32/1004356032.db2.gz WEOLRAGJQSNCDW-INIZCTEOSA-N 1 2 401.486 3.718 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000512525844 1004360668 /nfs/dbraw/zinc/36/06/68/1004360668.db2.gz ABJCYVGORMNASW-LJQANCHMSA-N 1 2 423.561 3.996 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000512525844 1004360672 /nfs/dbraw/zinc/36/06/72/1004360672.db2.gz ABJCYVGORMNASW-LJQANCHMSA-N 1 2 423.561 3.996 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1Cl ZINC000510405281 1004542616 /nfs/dbraw/zinc/54/26/16/1004542616.db2.gz ZNDMATCOHWBXDG-LJQANCHMSA-N 1 2 415.902 3.614 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c(F)c1 ZINC000512818359 1004578600 /nfs/dbraw/zinc/57/86/00/1004578600.db2.gz SHVSHNBGZKMGLZ-UHFFFAOYSA-N 1 2 413.405 3.515 20 30 HHEDLO COc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1OCCCC#N ZINC000501710564 1004631085 /nfs/dbraw/zinc/63/10/85/1004631085.db2.gz YMMDCJDFLYFYAG-UHFFFAOYSA-N 1 2 403.486 3.693 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000510595970 1004741761 /nfs/dbraw/zinc/74/17/61/1004741761.db2.gz IGNLFNJYDSEGBI-NRFANRHFSA-N 1 2 417.538 3.632 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)CCc2nccs2)c1C#N ZINC000510791996 1004855173 /nfs/dbraw/zinc/85/51/73/1004855173.db2.gz XMTKKCMQNSYNKP-UHFFFAOYSA-N 1 2 411.506 3.674 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)CCc2nccs2)c1C#N ZINC000510791996 1004855179 /nfs/dbraw/zinc/85/51/79/1004855179.db2.gz XMTKKCMQNSYNKP-UHFFFAOYSA-N 1 2 411.506 3.674 20 30 HHEDLO N#Cc1cccc(OC2CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)c1 ZINC000510874675 1004904522 /nfs/dbraw/zinc/90/45/22/1004904522.db2.gz OKIZWPFOVAEZFB-UHFFFAOYSA-N 1 2 415.497 3.556 20 30 HHEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513368384 1004929153 /nfs/dbraw/zinc/92/91/53/1004929153.db2.gz VQCPOLPRQJPLTK-KRWDZBQOSA-N 1 2 411.527 3.793 20 30 HHEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513368384 1004929159 /nfs/dbraw/zinc/92/91/59/1004929159.db2.gz VQCPOLPRQJPLTK-KRWDZBQOSA-N 1 2 411.527 3.793 20 30 HHEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502178241 1004941128 /nfs/dbraw/zinc/94/11/28/1004941128.db2.gz ZDDKEHMVDGRSRX-CQSZACIVSA-N 1 2 412.440 3.514 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000510994741 1004971699 /nfs/dbraw/zinc/97/16/99/1004971699.db2.gz HSKPPMGESDBGOH-UHFFFAOYSA-N 1 2 424.570 3.912 20 30 HHEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000511127116 1005032757 /nfs/dbraw/zinc/03/27/57/1005032757.db2.gz UCASDTBCOWJAEI-UHFFFAOYSA-N 1 2 407.905 3.888 20 30 HHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCCc3nc4ccccc4s3)CC2)cc1 ZINC000502532399 1005106325 /nfs/dbraw/zinc/10/63/25/1005106325.db2.gz ZZGKFLPGQLQNNP-UHFFFAOYSA-N 1 2 402.523 3.616 20 30 HHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCCc3nc4ccccc4s3)CC2)cc1 ZINC000502532399 1005106328 /nfs/dbraw/zinc/10/63/28/1005106328.db2.gz ZZGKFLPGQLQNNP-UHFFFAOYSA-N 1 2 402.523 3.616 20 30 HHEDLO N#C[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513978100 1005210879 /nfs/dbraw/zinc/21/08/79/1005210879.db2.gz FRHRVDKOTQGEML-ZUOKHONESA-N 1 2 402.281 3.718 20 30 HHEDLO N#C[C@@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513978100 1005210884 /nfs/dbraw/zinc/21/08/84/1005210884.db2.gz FRHRVDKOTQGEML-ZUOKHONESA-N 1 2 402.281 3.718 20 30 HHEDLO CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000511600431 1005240403 /nfs/dbraw/zinc/24/04/03/1005240403.db2.gz SQZZELABOZUEEV-GOSISDBHSA-N 1 2 416.529 3.540 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1OCc1ccccc1 ZINC000514704732 1006089182 /nfs/dbraw/zinc/08/91/82/1006089182.db2.gz FQVXPXZHJPNVMW-UHFFFAOYSA-N 1 2 414.509 3.863 20 30 HHEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000514827030 1006156675 /nfs/dbraw/zinc/15/66/75/1006156675.db2.gz MCPJCVOCCVEQGP-QGZVFWFLSA-N 1 2 401.530 3.838 20 30 HHEDLO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000514829814 1006159569 /nfs/dbraw/zinc/15/95/69/1006159569.db2.gz NBCMZCNKBMEJIJ-KDOFPFPSSA-N 1 2 423.460 3.829 20 30 HHEDLO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000514829814 1006159578 /nfs/dbraw/zinc/15/95/78/1006159578.db2.gz NBCMZCNKBMEJIJ-KDOFPFPSSA-N 1 2 423.460 3.829 20 30 HHEDLO Cc1cccn2cc(Cc3noc([C@H]4CCN(c5ccc(C#N)cc5F)C4)n3)[nH+]c12 ZINC000515051674 1006268479 /nfs/dbraw/zinc/26/84/79/1006268479.db2.gz ZISPIJQQAJAZHO-INIZCTEOSA-N 1 2 402.433 3.621 20 30 HHEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCO1 ZINC000534874657 1006902612 /nfs/dbraw/zinc/90/26/12/1006902612.db2.gz JIRQCNUFPWVLAL-UHFFFAOYSA-N 1 2 413.905 3.845 20 30 HHEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCO1 ZINC000534874657 1006902626 /nfs/dbraw/zinc/90/26/26/1006902626.db2.gz JIRQCNUFPWVLAL-UHFFFAOYSA-N 1 2 413.905 3.845 20 30 HHEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000516285137 1006997564 /nfs/dbraw/zinc/99/75/64/1006997564.db2.gz SJBDZBJUWFHSCL-UHFFFAOYSA-N 1 2 420.472 3.527 20 30 HHEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c(SC)cc1OC ZINC000532584226 1007019548 /nfs/dbraw/zinc/01/95/48/1007019548.db2.gz YMCQORNODJOHDM-CYBMUJFWSA-N 1 2 417.531 3.966 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c(SC)cc1OC ZINC000532584226 1007019554 /nfs/dbraw/zinc/01/95/54/1007019554.db2.gz YMCQORNODJOHDM-CYBMUJFWSA-N 1 2 417.531 3.966 20 30 HHEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000535059191 1007084565 /nfs/dbraw/zinc/08/45/65/1007084565.db2.gz MCPDCOMREPMOSC-HXUWFJFHSA-N 1 2 409.848 3.772 20 30 HHEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1 ZINC000535059191 1007084579 /nfs/dbraw/zinc/08/45/79/1007084579.db2.gz MCPDCOMREPMOSC-HXUWFJFHSA-N 1 2 409.848 3.772 20 30 HHEDLO CCCCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OCC ZINC000538808279 1007086867 /nfs/dbraw/zinc/08/68/67/1007086867.db2.gz KGDIATAXTKXZMR-SFHVURJKSA-N 1 2 409.534 3.637 20 30 HHEDLO CCCCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OCC ZINC000538808279 1007086881 /nfs/dbraw/zinc/08/68/81/1007086881.db2.gz KGDIATAXTKXZMR-SFHVURJKSA-N 1 2 409.534 3.637 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000532773406 1007174756 /nfs/dbraw/zinc/17/47/56/1007174756.db2.gz JTLWFGOEUBQWGB-SJORKVTESA-N 1 2 411.527 3.649 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000532773406 1007174763 /nfs/dbraw/zinc/17/47/63/1007174763.db2.gz JTLWFGOEUBQWGB-SJORKVTESA-N 1 2 411.527 3.649 20 30 HHEDLO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000538956544 1007244115 /nfs/dbraw/zinc/24/41/15/1007244115.db2.gz QJKQUBKOFNRAQW-GOSISDBHSA-N 1 2 400.320 3.909 20 30 HHEDLO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000538956544 1007244120 /nfs/dbraw/zinc/24/41/20/1007244120.db2.gz QJKQUBKOFNRAQW-GOSISDBHSA-N 1 2 400.320 3.909 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000532963952 1007331947 /nfs/dbraw/zinc/33/19/47/1007331947.db2.gz ZRRHGTBKMLCUFT-UHFFFAOYSA-N 1 2 417.538 3.833 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000532963952 1007331954 /nfs/dbraw/zinc/33/19/54/1007331954.db2.gz ZRRHGTBKMLCUFT-UHFFFAOYSA-N 1 2 417.538 3.833 20 30 HHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)c1 ZINC000533038431 1007398192 /nfs/dbraw/zinc/39/81/92/1007398192.db2.gz AFODOUXOSPHUSM-UHFFFAOYSA-N 1 2 421.888 3.711 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCC[C@H](CO)C3)sc2C1 ZINC000533234681 1007555503 /nfs/dbraw/zinc/55/55/03/1007555503.db2.gz PDMNLAFOVBSIPR-JKSUJKDBSA-N 1 2 403.592 3.804 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCC[C@H](CO)C3)sc2C1 ZINC000533234681 1007555511 /nfs/dbraw/zinc/55/55/11/1007555511.db2.gz PDMNLAFOVBSIPR-JKSUJKDBSA-N 1 2 403.592 3.804 20 30 HHEDLO Cc1noc(C)c1C[NH+](CCC(=O)Nc1sccc1C#N)Cc1c(C)noc1C ZINC000533301361 1007619155 /nfs/dbraw/zinc/61/91/55/1007619155.db2.gz RHHWZGYTMIRFFM-UHFFFAOYSA-N 1 2 413.503 3.860 20 30 HHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC000533400783 1007712025 /nfs/dbraw/zinc/71/20/25/1007712025.db2.gz SDXQZSHYRQGOAK-OAQYLSRUSA-N 1 2 408.889 3.598 20 30 HHEDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cccc1[N+](=O)[O-] ZINC000533424567 1007732212 /nfs/dbraw/zinc/73/22/12/1007732212.db2.gz HJVOYQTYNFWNDE-INIZCTEOSA-N 1 2 408.458 3.645 20 30 HHEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000533493544 1007805090 /nfs/dbraw/zinc/80/50/90/1007805090.db2.gz WWYSBTPWTVFEOB-UHFFFAOYSA-N 1 2 411.527 3.746 20 30 HHEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000533493544 1007805104 /nfs/dbraw/zinc/80/51/04/1007805104.db2.gz WWYSBTPWTVFEOB-UHFFFAOYSA-N 1 2 411.527 3.746 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1OC ZINC000535823074 1007837033 /nfs/dbraw/zinc/83/70/33/1007837033.db2.gz DVOYIJPKPVOSIC-WBVHZDCISA-N 1 2 414.365 3.729 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1OC ZINC000535823074 1007837047 /nfs/dbraw/zinc/83/70/47/1007837047.db2.gz DVOYIJPKPVOSIC-WBVHZDCISA-N 1 2 414.365 3.729 20 30 HHEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535876775 1007894429 /nfs/dbraw/zinc/89/44/29/1007894429.db2.gz ONBARXWQDHHTKK-PMACEKPBSA-N 1 2 400.885 3.938 20 30 HHEDLO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535876775 1007894445 /nfs/dbraw/zinc/89/44/45/1007894445.db2.gz ONBARXWQDHHTKK-PMACEKPBSA-N 1 2 400.885 3.938 20 30 HHEDLO C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000517893479 1008041783 /nfs/dbraw/zinc/04/17/83/1008041783.db2.gz NYBGQSRDUYHTGH-OALUTQOASA-N 1 2 422.529 3.562 20 30 HHEDLO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000549260773 1008831164 /nfs/dbraw/zinc/83/11/64/1008831164.db2.gz IRPKISSUCYVHLE-UHFFFAOYSA-N 1 2 416.529 3.772 20 30 HHEDLO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549302096 1008877802 /nfs/dbraw/zinc/87/78/02/1008877802.db2.gz JJOVFTBVOFCTDF-UHFFFAOYSA-N 1 2 418.545 3.772 20 30 HHEDLO CCOc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1O ZINC000545851489 1008938184 /nfs/dbraw/zinc/93/81/84/1008938184.db2.gz XRJGSQLNLZRVDK-UHFFFAOYSA-N 1 2 413.905 3.732 20 30 HHEDLO C=C(C)Cn1c(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)C ZINC000549667787 1009298101 /nfs/dbraw/zinc/29/81/01/1009298101.db2.gz GQOQAAGISKUSGQ-UHFFFAOYSA-N 1 2 401.530 3.622 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196125 1009335876 /nfs/dbraw/zinc/33/58/76/1009335876.db2.gz YICSSOKRUIOJIO-QGZVFWFLSA-N 1 2 401.474 3.770 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196125 1009335890 /nfs/dbraw/zinc/33/58/90/1009335890.db2.gz YICSSOKRUIOJIO-QGZVFWFLSA-N 1 2 401.474 3.770 20 30 HHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@@H](C)O1 ZINC000549822888 1009433768 /nfs/dbraw/zinc/43/37/68/1009433768.db2.gz YPAKBUHYUIIXAI-ZIAGYGMSSA-N 1 2 418.419 3.834 20 30 HHEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3cccc(Br)c3)CC2)c1 ZINC000546808549 1009770060 /nfs/dbraw/zinc/77/00/60/1009770060.db2.gz BQZSBWZCXVYHNK-UHFFFAOYSA-N 1 2 414.303 3.803 20 30 HHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000521075582 1010092653 /nfs/dbraw/zinc/09/26/53/1010092653.db2.gz ZPPJLARBIWXVBX-UHFFFAOYSA-N 1 2 419.485 3.780 20 30 HHEDLO C=CCOc1ccccc1CN(C(=O)CCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000521141919 1010168453 /nfs/dbraw/zinc/16/84/53/1010168453.db2.gz KYLDOEDPXLVRRA-UHFFFAOYSA-N 1 2 419.481 3.843 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3cc(C#N)ccc3C)[nH+]c12 ZINC000544809475 1010403727 /nfs/dbraw/zinc/40/37/27/1010403727.db2.gz BVMQHVREMSBEIA-UHFFFAOYSA-N 1 2 412.291 3.950 20 30 HHEDLO C[NH+](C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 ZINC000521567619 1010469336 /nfs/dbraw/zinc/46/93/36/1010469336.db2.gz SMMGRJYLHIZZCU-KRWDZBQOSA-N 1 2 409.540 3.943 20 30 HHEDLO CCN(C(=O)c1ncc(C#N)cc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000551365491 1010542257 /nfs/dbraw/zinc/54/22/57/1010542257.db2.gz MMHXRXPXHLUNRB-UHFFFAOYSA-N 1 2 406.534 3.615 20 30 HHEDLO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C3)cc1 ZINC000521854791 1010664327 /nfs/dbraw/zinc/66/43/27/1010664327.db2.gz LSOJJYFBYHGODV-GOSISDBHSA-N 1 2 419.529 3.758 20 30 HHEDLO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C3)cc1 ZINC000521854791 1010664328 /nfs/dbraw/zinc/66/43/28/1010664328.db2.gz LSOJJYFBYHGODV-GOSISDBHSA-N 1 2 419.529 3.758 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C#N)c(Cl)c3)CCCC2)no1 ZINC000548615398 1010683303 /nfs/dbraw/zinc/68/33/03/1010683303.db2.gz WCQFRNOYOOYBAS-UHFFFAOYSA-N 1 2 401.898 3.636 20 30 HHEDLO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548864861 1010747376 /nfs/dbraw/zinc/74/73/76/1010747376.db2.gz ABSBGSVRPGITLK-UHFFFAOYSA-N 1 2 408.521 3.905 20 30 HHEDLO Cc1cc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nn1CCC#N ZINC000540816830 1011477787 /nfs/dbraw/zinc/47/77/87/1011477787.db2.gz NWMBHACFGVOBGQ-KRWDZBQOSA-N 1 2 418.904 3.856 20 30 HHEDLO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000536618008 1011775328 /nfs/dbraw/zinc/77/53/28/1011775328.db2.gz DDYKCXOGGXENGL-QHCPKHFHSA-N 1 2 415.493 3.768 20 30 HHEDLO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000536618008 1011775347 /nfs/dbraw/zinc/77/53/47/1011775347.db2.gz DDYKCXOGGXENGL-QHCPKHFHSA-N 1 2 415.493 3.768 20 30 HHEDLO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000536618007 1011775890 /nfs/dbraw/zinc/77/58/90/1011775890.db2.gz DDYKCXOGGXENGL-HSZRJFAPSA-N 1 2 415.493 3.768 20 30 HHEDLO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000536618007 1011775896 /nfs/dbraw/zinc/77/58/96/1011775896.db2.gz DDYKCXOGGXENGL-HSZRJFAPSA-N 1 2 415.493 3.768 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3cc(F)ccc3F)CC2)cc1OCCCC#N ZINC000536676906 1011839362 /nfs/dbraw/zinc/83/93/62/1011839362.db2.gz ZXKYHJOPYDGYML-UHFFFAOYSA-N 1 2 401.457 3.978 20 30 HHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c1 ZINC000536697374 1011864350 /nfs/dbraw/zinc/86/43/50/1011864350.db2.gz UOQNVXYIMGKKKL-UHFFFAOYSA-N 1 2 411.933 3.909 20 30 HHEDLO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000537158887 1012556039 /nfs/dbraw/zinc/55/60/39/1012556039.db2.gz UIEMIMWRWOGOAN-CQSZACIVSA-N 1 2 408.395 3.672 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542046823 1012951709 /nfs/dbraw/zinc/95/17/09/1012951709.db2.gz ZRSVUIICHJNHSI-FPOVZHCZSA-N 1 2 401.432 3.590 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542046823 1012951719 /nfs/dbraw/zinc/95/17/19/1012951719.db2.gz ZRSVUIICHJNHSI-FPOVZHCZSA-N 1 2 401.432 3.590 20 30 HHEDLO CC1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587983446 1072729434 /nfs/dbraw/zinc/72/94/34/1072729434.db2.gz PQUMJFVZYJLSGS-LJQANCHMSA-N 1 2 423.948 3.608 20 30 HHEDLO C=CCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccc(Cl)s1 ZINC000555335565 1073360552 /nfs/dbraw/zinc/36/05/52/1073360552.db2.gz NLXMXRMSLFTGTA-UHFFFAOYSA-N 1 2 410.008 3.795 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H](C)C1 ZINC000588986234 1073371266 /nfs/dbraw/zinc/37/12/66/1073371266.db2.gz BMELAKFIZLFUDS-SFHVURJKSA-N 1 2 421.516 3.861 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H](C)C1 ZINC000588986234 1073371273 /nfs/dbraw/zinc/37/12/73/1073371273.db2.gz BMELAKFIZLFUDS-SFHVURJKSA-N 1 2 421.516 3.861 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1C#N ZINC000590601887 1073934914 /nfs/dbraw/zinc/93/49/14/1073934914.db2.gz SKZLTAVYCHQWGA-IBGZPJMESA-N 1 2 417.513 3.831 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H](c3ccccn3)C2)c1C#N ZINC000590601887 1073934922 /nfs/dbraw/zinc/93/49/22/1073934922.db2.gz SKZLTAVYCHQWGA-IBGZPJMESA-N 1 2 417.513 3.831 20 30 HHEDLO C=CCC1(c2nc(-c3ccc(N4CCN(c5cccc[nH+]5)CC4)nc3)no2)CCC1 ZINC000574000791 1074751193 /nfs/dbraw/zinc/75/11/93/1074751193.db2.gz KXTVGHRMICAVRW-UHFFFAOYSA-N 1 2 402.502 3.851 20 30 HHEDLO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000575111319 1075480222 /nfs/dbraw/zinc/48/02/22/1075480222.db2.gz HXJJIMKLDAGIRJ-HNNXBMFYSA-N 1 2 410.461 3.914 20 30 HHEDLO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000575111319 1075480226 /nfs/dbraw/zinc/48/02/26/1075480226.db2.gz HXJJIMKLDAGIRJ-HNNXBMFYSA-N 1 2 410.461 3.914 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)cc1C#N)CC2 ZINC001164664568 719346173 /nfs/dbraw/zinc/34/61/73/719346173.db2.gz YXKNTYPUOCPWRP-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C)cc1C#N)CC2 ZINC001164664568 719346176 /nfs/dbraw/zinc/34/61/76/719346176.db2.gz YXKNTYPUOCPWRP-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)cc1C#N)CC2 ZINC001164663783 719346951 /nfs/dbraw/zinc/34/69/51/719346951.db2.gz LQBTUENWGXTEJJ-UHFFFAOYSA-N 1 2 416.504 3.787 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)cc1C#N)CC2 ZINC001164663783 719346955 /nfs/dbraw/zinc/34/69/55/719346955.db2.gz LQBTUENWGXTEJJ-UHFFFAOYSA-N 1 2 416.504 3.787 20 30 HHEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000301141003 970767388 /nfs/dbraw/zinc/76/73/88/970767388.db2.gz FQNSMCPAPUISPX-UHFFFAOYSA-N 1 2 415.469 3.877 20 30 HHEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000301141003 970767394 /nfs/dbraw/zinc/76/73/94/970767394.db2.gz FQNSMCPAPUISPX-UHFFFAOYSA-N 1 2 415.469 3.877 20 30 HHEDLO N#Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301364128 970888101 /nfs/dbraw/zinc/88/81/01/970888101.db2.gz RKMUJZXSCGHRAA-SFHVURJKSA-N 1 2 409.471 3.562 20 30 HHEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000302962672 971422801 /nfs/dbraw/zinc/42/28/01/971422801.db2.gz CEXHHIQURMXYRD-UHFFFAOYSA-N 1 2 422.529 3.520 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)Cc1ccccc1 ZINC000303014983 971455506 /nfs/dbraw/zinc/45/55/06/971455506.db2.gz LCLOGRZJODCQBU-UHFFFAOYSA-N 1 2 409.555 3.502 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)Cc1ccccc1 ZINC000303014983 971455508 /nfs/dbraw/zinc/45/55/08/971455508.db2.gz LCLOGRZJODCQBU-UHFFFAOYSA-N 1 2 409.555 3.502 20 30 HHEDLO C=C(C)[C@@H](CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)OCC ZINC000553154640 1013114027 /nfs/dbraw/zinc/11/40/27/1013114027.db2.gz ISJLTYHUZFKHDS-MRXNPFEDSA-N 1 2 410.312 3.639 20 30 HHEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000303576473 971868726 /nfs/dbraw/zinc/86/87/26/971868726.db2.gz JSQKDOIOZIMEIN-HNNXBMFYSA-N 1 2 424.888 3.978 20 30 HHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000016003216 962913202 /nfs/dbraw/zinc/91/32/02/962913202.db2.gz VYHJNCVVVIKPRG-MRXNPFEDSA-N 1 2 418.522 3.979 20 30 HHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000016003216 962913221 /nfs/dbraw/zinc/91/32/21/962913221.db2.gz VYHJNCVVVIKPRG-MRXNPFEDSA-N 1 2 418.522 3.979 20 30 HHEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000542522578 1013465672 /nfs/dbraw/zinc/46/56/72/1013465672.db2.gz WMYZQQDOANWKJD-UHFFFAOYSA-N 1 2 421.526 3.627 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052455753 964912904 /nfs/dbraw/zinc/91/29/04/964912904.db2.gz OKLVOTRDHMDFTI-NRFANRHFSA-N 1 2 412.509 3.928 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052455753 964912910 /nfs/dbraw/zinc/91/29/10/964912910.db2.gz OKLVOTRDHMDFTI-NRFANRHFSA-N 1 2 412.509 3.928 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1 ZINC000542619702 1013555307 /nfs/dbraw/zinc/55/53/07/1013555307.db2.gz MOKPIBUNRKNDOS-UHFFFAOYSA-N 1 2 401.470 3.565 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000542621397 1013556726 /nfs/dbraw/zinc/55/67/26/1013556726.db2.gz DFBAGPBUKAEKGF-SJORKVTESA-N 1 2 420.542 3.951 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccc(OC)cc1 ZINC000054272415 965453639 /nfs/dbraw/zinc/45/36/39/965453639.db2.gz JURLOWCHTVWQJZ-UHFFFAOYSA-N 1 2 404.894 3.993 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1ccc(OC)cc1 ZINC000054272415 965453648 /nfs/dbraw/zinc/45/36/48/965453648.db2.gz JURLOWCHTVWQJZ-UHFFFAOYSA-N 1 2 404.894 3.993 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C2 ZINC000054393251 965502055 /nfs/dbraw/zinc/50/20/55/965502055.db2.gz IUJCLSYRSUDLLK-UHFFFAOYSA-N 1 2 404.514 3.567 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C2 ZINC000054393251 965502060 /nfs/dbraw/zinc/50/20/60/965502060.db2.gz IUJCLSYRSUDLLK-UHFFFAOYSA-N 1 2 404.514 3.567 20 30 HHEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(C#N)cc1 ZINC000058397658 965719088 /nfs/dbraw/zinc/71/90/88/965719088.db2.gz OYEXJFGFPGASPR-UHFFFAOYSA-N 1 2 404.514 3.570 20 30 HHEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccc(C#N)cc1 ZINC000058397658 965719099 /nfs/dbraw/zinc/71/90/99/965719099.db2.gz OYEXJFGFPGASPR-UHFFFAOYSA-N 1 2 404.514 3.570 20 30 HHEDLO Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000058444373 965733252 /nfs/dbraw/zinc/73/32/52/965733252.db2.gz KHSAKSYQOLFRRN-UHFFFAOYSA-N 1 2 411.571 3.689 20 30 HHEDLO Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000058444373 965733266 /nfs/dbraw/zinc/73/32/66/965733266.db2.gz KHSAKSYQOLFRRN-UHFFFAOYSA-N 1 2 411.571 3.689 20 30 HHEDLO CC(C)OCc1ccccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058678520 965839606 /nfs/dbraw/zinc/83/96/06/965839606.db2.gz VBMBWTJQILDCAL-UHFFFAOYSA-N 1 2 406.530 3.511 20 30 HHEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000058790688 965900880 /nfs/dbraw/zinc/90/08/80/965900880.db2.gz QSYCAWWVGOIIMI-FQEVSTJZSA-N 1 2 410.543 3.723 20 30 HHEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)cc1OC ZINC000032236202 966202413 /nfs/dbraw/zinc/20/24/13/966202413.db2.gz OEUNIZMISFXGEE-UHFFFAOYSA-N 1 2 410.514 3.535 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCCCn3cc[nH+]c3)c2)c1 ZINC000056638248 966405403 /nfs/dbraw/zinc/40/54/03/966405403.db2.gz QUDLTHUYZBPGPX-UHFFFAOYSA-N 1 2 402.458 3.609 20 30 HHEDLO C=CCn1c2ccccc2nc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000039576225 966505915 /nfs/dbraw/zinc/50/59/15/966505915.db2.gz VBAPFAITBPXZLI-UHFFFAOYSA-N 1 2 406.555 3.659 20 30 HHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1cccc(C#N)c1 ZINC000063300826 966807231 /nfs/dbraw/zinc/80/72/31/966807231.db2.gz PHDGRSWBXWXWRA-UHFFFAOYSA-N 1 2 412.331 3.967 20 30 HHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1cccc(C#N)c1 ZINC000063300826 966807240 /nfs/dbraw/zinc/80/72/40/966807240.db2.gz PHDGRSWBXWXWRA-UHFFFAOYSA-N 1 2 412.331 3.967 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1ccc(Br)c(C)c1)Cc1ccc(C#N)cc1 ZINC000063754110 966947289 /nfs/dbraw/zinc/94/72/89/966947289.db2.gz UMCAJTWTFMAJND-UHFFFAOYSA-N 1 2 416.319 3.716 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1ccc(Br)c(C)c1)Cc1ccc(C#N)cc1 ZINC000063754110 966947294 /nfs/dbraw/zinc/94/72/94/966947294.db2.gz UMCAJTWTFMAJND-UHFFFAOYSA-N 1 2 416.319 3.716 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000063754546 966947765 /nfs/dbraw/zinc/94/77/65/966947765.db2.gz GTTSOHVGHOHQNP-UHFFFAOYSA-N 1 2 407.392 3.544 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000063754546 966947769 /nfs/dbraw/zinc/94/77/69/966947769.db2.gz GTTSOHVGHOHQNP-UHFFFAOYSA-N 1 2 407.392 3.544 20 30 HHEDLO Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043496729 966985190 /nfs/dbraw/zinc/98/51/90/966985190.db2.gz MPDLPMSGHYWIOG-UHFFFAOYSA-N 1 2 403.530 3.817 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000553922409 1013703113 /nfs/dbraw/zinc/70/31/13/1013703113.db2.gz BSXLPCDRUYZPKN-AWEZNQCLSA-N 1 2 410.396 3.661 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000553922409 1013703119 /nfs/dbraw/zinc/70/31/19/1013703119.db2.gz BSXLPCDRUYZPKN-AWEZNQCLSA-N 1 2 410.396 3.661 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000044310371 967189974 /nfs/dbraw/zinc/18/99/74/967189974.db2.gz XSMZNILQZSVPLR-UHFFFAOYSA-N 1 2 418.419 3.849 20 30 HHEDLO C=CCc1cc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc(OC)c1OC ZINC000065284310 967428676 /nfs/dbraw/zinc/42/86/76/967428676.db2.gz SUSNEIWTKYXEDQ-UHFFFAOYSA-N 1 2 420.513 3.677 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000045409704 967453829 /nfs/dbraw/zinc/45/38/29/967453829.db2.gz GHGFJCYHIJQKSE-UHFFFAOYSA-N 1 2 412.559 3.549 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089385 967657160 /nfs/dbraw/zinc/65/71/60/967657160.db2.gz HKPGLGICRFTYTN-LJQANCHMSA-N 1 2 400.548 3.850 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089385 967657165 /nfs/dbraw/zinc/65/71/65/967657165.db2.gz HKPGLGICRFTYTN-LJQANCHMSA-N 1 2 400.548 3.850 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000048347642 968526086 /nfs/dbraw/zinc/52/60/86/968526086.db2.gz WODMCXQCOMZCDS-UHFFFAOYSA-N 1 2 412.449 3.905 20 30 HHEDLO CC(C)[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000110166718 969632317 /nfs/dbraw/zinc/63/23/17/969632317.db2.gz JEGSBTRABZKNCN-LBTNJELSSA-N 1 2 413.440 3.572 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1C ZINC000110983813 969753582 /nfs/dbraw/zinc/75/35/82/969753582.db2.gz SPFHBNXABRPAIQ-UHFFFAOYSA-N 1 2 414.937 3.873 20 30 HHEDLO Cc1csc(CC(=[NH2+])NOC=C(O)c2cc(C)n(Cc3cccs3)c2C)n1 ZINC000195673301 969947092 /nfs/dbraw/zinc/94/70/92/969947092.db2.gz JLZURLQYWWJJOW-UHFFFAOYSA-N 1 2 402.545 3.694 20 30 HHEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000139176443 970023206 /nfs/dbraw/zinc/02/32/06/970023206.db2.gz OGJDBFFNHMGGFG-NRFANRHFSA-N 1 2 401.470 3.528 20 30 HHEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000139176443 970023216 /nfs/dbraw/zinc/02/32/16/970023216.db2.gz OGJDBFFNHMGGFG-NRFANRHFSA-N 1 2 401.470 3.528 20 30 HHEDLO COc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000554558017 1013977299 /nfs/dbraw/zinc/97/72/99/1013977299.db2.gz SAXWWGYUKYELNB-UHFFFAOYSA-N 1 2 418.400 3.657 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000410257118 973766265 /nfs/dbraw/zinc/76/62/65/973766265.db2.gz QHPRUMAMSFYMEO-IBGZPJMESA-N 1 2 409.530 3.742 20 30 HHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410281329 973804214 /nfs/dbraw/zinc/80/42/14/973804214.db2.gz HTJVXKQSZWTFOY-SIKLNZKXSA-N 1 2 406.530 3.901 20 30 HHEDLO C=CCc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1OC ZINC000410292398 973824269 /nfs/dbraw/zinc/82/42/69/973824269.db2.gz HZTUJMRPNPUIST-SFHVURJKSA-N 1 2 409.530 3.985 20 30 HHEDLO N#Cc1cc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)ccc1C(F)(F)F ZINC000410353238 973944784 /nfs/dbraw/zinc/94/47/84/973944784.db2.gz LMQXUECRHQIDIY-UHFFFAOYSA-N 1 2 409.311 3.730 20 30 HHEDLO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)cc1F ZINC000427884599 975332685 /nfs/dbraw/zinc/33/26/85/975332685.db2.gz IYSRNBIWNANMHQ-SJCJKPOMSA-N 1 2 417.282 3.701 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)nc1 ZINC000428768712 976040181 /nfs/dbraw/zinc/04/01/81/976040181.db2.gz BEKFEBIIHBUJDD-MRXNPFEDSA-N 1 2 407.499 3.597 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)nc1 ZINC000428768712 976040195 /nfs/dbraw/zinc/04/01/95/976040195.db2.gz BEKFEBIIHBUJDD-MRXNPFEDSA-N 1 2 407.499 3.597 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)nc1 ZINC000428790010 976065045 /nfs/dbraw/zinc/06/50/45/976065045.db2.gz ADUGRMBQKNUUDO-CQSZACIVSA-N 1 2 416.268 3.963 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)nc1 ZINC000428790010 976065061 /nfs/dbraw/zinc/06/50/61/976065061.db2.gz ADUGRMBQKNUUDO-CQSZACIVSA-N 1 2 416.268 3.963 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C2)nc1 ZINC000428796376 976072945 /nfs/dbraw/zinc/07/29/45/976072945.db2.gz XBBINYSBDANPHQ-JOCHJYFZSA-N 1 2 412.493 3.636 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C2)nc1 ZINC000428796376 976072960 /nfs/dbraw/zinc/07/29/60/976072960.db2.gz XBBINYSBDANPHQ-JOCHJYFZSA-N 1 2 412.493 3.636 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429236244 976527164 /nfs/dbraw/zinc/52/71/64/976527164.db2.gz LSPJRJZYPJJEQU-NVXWUHKLSA-N 1 2 401.576 3.964 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429236244 976527183 /nfs/dbraw/zinc/52/71/83/976527183.db2.gz LSPJRJZYPJJEQU-NVXWUHKLSA-N 1 2 401.576 3.964 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000431813059 978532132 /nfs/dbraw/zinc/53/21/32/978532132.db2.gz VKUSDFROJOIXRJ-PZJWPPBQSA-N 1 2 405.502 3.530 20 30 HHEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)oc1C ZINC000432936001 979016189 /nfs/dbraw/zinc/01/61/89/979016189.db2.gz BTWUZVLWJBXCOD-OAHLLOKOSA-N 1 2 404.470 3.678 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000433271575 979205555 /nfs/dbraw/zinc/20/55/55/979205555.db2.gz UOGVWCSQNOFBIZ-OAQYLSRUSA-N 1 2 406.486 3.581 20 30 HHEDLO Cc1nc([C@](C)([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C2CC2)no1 ZINC000433294528 979221239 /nfs/dbraw/zinc/22/12/39/979221239.db2.gz MNAIBOWACPIQEG-OAQYLSRUSA-N 1 2 413.547 3.824 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433355544 979254682 /nfs/dbraw/zinc/25/46/82/979254682.db2.gz WPZBFOUDUSGATL-ZJSXRUAMSA-N 1 2 405.542 3.508 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433570583 979393102 /nfs/dbraw/zinc/39/31/02/979393102.db2.gz MINBYCYDURJLFE-UHFFFAOYSA-N 1 2 423.517 3.528 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000433734166 979530108 /nfs/dbraw/zinc/53/01/08/979530108.db2.gz WWRDOOKNPWSACE-HNAYVOBHSA-N 1 2 414.962 3.757 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000434185879 979951701 /nfs/dbraw/zinc/95/17/01/979951701.db2.gz BSYQSILUZZHDIU-GZNCHQMQSA-N 1 2 406.486 3.506 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1C ZINC000434508311 980218993 /nfs/dbraw/zinc/21/89/93/980218993.db2.gz BGSIRWMIJDVKAB-UHFFFAOYSA-N 1 2 402.502 3.824 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1C ZINC000434508311 980219005 /nfs/dbraw/zinc/21/90/05/980219005.db2.gz BGSIRWMIJDVKAB-UHFFFAOYSA-N 1 2 402.502 3.824 20 30 HHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nccn3C(F)F)sc2C1 ZINC000434680716 980335479 /nfs/dbraw/zinc/33/54/79/980335479.db2.gz KFVYCZNQGCLSCK-GFCCVEGCSA-N 1 2 407.490 3.797 20 30 HHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nccn3C(F)F)sc2C1 ZINC000434680716 980335488 /nfs/dbraw/zinc/33/54/88/980335488.db2.gz KFVYCZNQGCLSCK-GFCCVEGCSA-N 1 2 407.490 3.797 20 30 HHEDLO N#CCCCn1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c2ccccc21 ZINC000434724527 980358711 /nfs/dbraw/zinc/35/87/11/980358711.db2.gz FJPRHKOZFWGCES-OAQYLSRUSA-N 1 2 416.525 3.576 20 30 HHEDLO N#CCCCn1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c2ccccc21 ZINC000434724527 980358715 /nfs/dbraw/zinc/35/87/15/980358715.db2.gz FJPRHKOZFWGCES-OAQYLSRUSA-N 1 2 416.525 3.576 20 30 HHEDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000434801210 980406894 /nfs/dbraw/zinc/40/68/94/980406894.db2.gz FAZDIZFHTRAODZ-UHFFFAOYSA-N 1 2 411.575 3.923 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000434834052 980431443 /nfs/dbraw/zinc/43/14/43/980431443.db2.gz ZKBIEVWUQOCKDP-HSZRJFAPSA-N 1 2 420.488 3.877 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000434834052 980431462 /nfs/dbraw/zinc/43/14/62/980431462.db2.gz ZKBIEVWUQOCKDP-HSZRJFAPSA-N 1 2 420.488 3.877 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000434856792 980451805 /nfs/dbraw/zinc/45/18/05/980451805.db2.gz UTUQBMOZGPUQJI-UYAOXDASSA-N 1 2 420.444 3.841 20 30 HHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000434856792 980451810 /nfs/dbraw/zinc/45/18/10/980451810.db2.gz UTUQBMOZGPUQJI-UYAOXDASSA-N 1 2 420.444 3.841 20 30 HHEDLO C[C@H](c1ccsc1)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000434988639 980552689 /nfs/dbraw/zinc/55/26/89/980552689.db2.gz VCDIWZVGBVJOPW-GOSISDBHSA-N 1 2 406.559 3.799 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435334886 980793267 /nfs/dbraw/zinc/79/32/67/980793267.db2.gz IPPRASLRHBUAQR-KRWDZBQOSA-N 1 2 408.889 3.904 20 30 HHEDLO Cc1cc(N2CCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000435550814 980936964 /nfs/dbraw/zinc/93/69/64/980936964.db2.gz QCFKDULVYSUSTM-UHFFFAOYSA-N 1 2 422.533 3.921 20 30 HHEDLO CC(C)Oc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1C#N ZINC000435569151 980945202 /nfs/dbraw/zinc/94/52/02/980945202.db2.gz WSJQJAAVKFJCIV-UHFFFAOYSA-N 1 2 403.486 3.954 20 30 HHEDLO Cc1cc(Br)cn2c(CN3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c[nH+]c12 ZINC000448269811 981664368 /nfs/dbraw/zinc/66/43/68/981664368.db2.gz BRYVTSCWQSAXIE-HKUYNNGSSA-N 1 2 403.324 3.833 20 30 HHEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000437675086 982289552 /nfs/dbraw/zinc/28/95/52/982289552.db2.gz GSOLOOGJKAEDOA-XMMPIXPASA-N 1 2 403.526 3.805 20 30 HHEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000460805008 982558066 /nfs/dbraw/zinc/55/80/66/982558066.db2.gz PNMUDCRVOSFWPN-HXUWFJFHSA-N 1 2 419.577 3.876 20 30 HHEDLO N#CC1(NC(=O)C[NH+]2CCC(c3ccccc3Br)CC2)CCCCC1 ZINC000439261420 983336185 /nfs/dbraw/zinc/33/61/85/983336185.db2.gz UCRPJVGJWCEVSR-UHFFFAOYSA-N 1 2 404.352 3.971 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000439584198 983461198 /nfs/dbraw/zinc/46/11/98/983461198.db2.gz VUMWGXUSACGUPB-RBUKOAKNSA-N 1 2 408.468 3.754 20 30 HHEDLO CCCc1c(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cnn1-c1cccc(C#N)c1 ZINC000439682915 983499782 /nfs/dbraw/zinc/49/97/82/983499782.db2.gz RMFDHGNLVRGLRD-KRWDZBQOSA-N 1 2 403.490 3.831 20 30 HHEDLO COc1cccc(OC)c1OC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441193625 984109091 /nfs/dbraw/zinc/10/90/91/984109091.db2.gz GJOPQPDOMPWZMH-UHFFFAOYSA-N 1 2 420.469 3.669 20 30 HHEDLO COc1cccc(C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]2CCCO2)c1 ZINC000441235192 984130568 /nfs/dbraw/zinc/13/05/68/984130568.db2.gz RUUKCTGCJDQMJI-OAQYLSRUSA-N 1 2 404.470 3.798 20 30 HHEDLO COc1cccc(C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]2CCCO2)c1 ZINC000441235192 984130572 /nfs/dbraw/zinc/13/05/72/984130572.db2.gz RUUKCTGCJDQMJI-OAQYLSRUSA-N 1 2 404.470 3.798 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)o2)c1 ZINC000441252346 984139856 /nfs/dbraw/zinc/13/98/56/984139856.db2.gz JCWAWCLEHLPTLR-UHFFFAOYSA-N 1 2 407.905 3.970 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)o2)c1 ZINC000441252346 984139858 /nfs/dbraw/zinc/13/98/58/984139858.db2.gz JCWAWCLEHLPTLR-UHFFFAOYSA-N 1 2 407.905 3.970 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000441790756 984455451 /nfs/dbraw/zinc/45/54/51/984455451.db2.gz PNYRKNUSZPMRBQ-HXUWFJFHSA-N 1 2 421.888 3.521 20 30 HHEDLO N#C[C@H]1CCC[C@H]1NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000461941996 984943647 /nfs/dbraw/zinc/94/36/47/984943647.db2.gz ADFPWVZYKBHUMK-DNVCBOLYSA-N 1 2 403.889 3.970 20 30 HHEDLO Cc1cc(N2CCN(C(=O)CS[C@@H](C)c3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000443163075 985419242 /nfs/dbraw/zinc/41/92/42/985419242.db2.gz XDWHALSVKXPHBD-SFHVURJKSA-N 1 2 423.586 3.923 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443557486 985728390 /nfs/dbraw/zinc/72/83/90/985728390.db2.gz RURNIUCNFRSMSP-UHFFFAOYSA-N 1 2 408.933 3.968 20 30 HHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443557486 985728402 /nfs/dbraw/zinc/72/84/02/985728402.db2.gz RURNIUCNFRSMSP-UHFFFAOYSA-N 1 2 408.933 3.968 20 30 HHEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+](CC(=O)N(C)C4CCCCC4)CC3)c2c1 ZINC000462813572 985743142 /nfs/dbraw/zinc/74/31/42/985743142.db2.gz ALLSPTKEOKFNIM-UHFFFAOYSA-N 1 2 419.573 3.636 20 30 HHEDLO C=CC[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000443607037 985786177 /nfs/dbraw/zinc/78/61/77/985786177.db2.gz URUSBLJVWOQIBS-INIZCTEOSA-N 1 2 421.455 3.875 20 30 HHEDLO C=CC[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000443607037 985786187 /nfs/dbraw/zinc/78/61/87/985786187.db2.gz URUSBLJVWOQIBS-INIZCTEOSA-N 1 2 421.455 3.875 20 30 HHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000443660313 985860511 /nfs/dbraw/zinc/86/05/11/985860511.db2.gz RBDQCZGDDWORHG-RHSMWYFYSA-N 1 2 410.474 3.885 20 30 HHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000443660313 985860527 /nfs/dbraw/zinc/86/05/27/985860527.db2.gz RBDQCZGDDWORHG-RHSMWYFYSA-N 1 2 410.474 3.885 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(OC)c1 ZINC000463032335 985991379 /nfs/dbraw/zinc/99/13/79/985991379.db2.gz IFKHPAVBIQHDBY-KRWDZBQOSA-N 1 2 400.544 3.769 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463359311 986324818 /nfs/dbraw/zinc/32/48/18/986324818.db2.gz GXJKPHXPXQZAAX-MBSDFSHPSA-N 1 2 409.555 3.513 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463359311 986324829 /nfs/dbraw/zinc/32/48/29/986324829.db2.gz GXJKPHXPXQZAAX-MBSDFSHPSA-N 1 2 409.555 3.513 20 30 HHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000444172108 986348522 /nfs/dbraw/zinc/34/85/22/986348522.db2.gz ZQFBXEQQIUPGQI-JTSKRJEESA-N 1 2 408.933 3.696 20 30 HHEDLO C=C(C)COc1cc(C[N@H+]2CCCN(Cc3ccc(OC)cc3)C(=O)C2)ccc1OC ZINC000468683794 986394555 /nfs/dbraw/zinc/39/45/55/986394555.db2.gz HXOZATMWUMJXOB-UHFFFAOYSA-N 1 2 424.541 3.893 20 30 HHEDLO C=C(C)COc1cc(C[N@@H+]2CCCN(Cc3ccc(OC)cc3)C(=O)C2)ccc1OC ZINC000468683794 986394567 /nfs/dbraw/zinc/39/45/67/986394567.db2.gz HXOZATMWUMJXOB-UHFFFAOYSA-N 1 2 424.541 3.893 20 30 HHEDLO C=CC[C@@H]1[N@H+](CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CCCC1(C)C ZINC000444778571 986935611 /nfs/dbraw/zinc/93/56/11/986935611.db2.gz JEUMSFZQAGXVKF-RXVVDRJESA-N 1 2 406.592 3.714 20 30 HHEDLO C=CC[C@@H]1[N@@H+](CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CCCC1(C)C ZINC000444778571 986935614 /nfs/dbraw/zinc/93/56/14/986935614.db2.gz JEUMSFZQAGXVKF-RXVVDRJESA-N 1 2 406.592 3.714 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000469451492 987137663 /nfs/dbraw/zinc/13/76/63/987137663.db2.gz BXEBYGKJMSFEOP-UHFFFAOYSA-N 1 2 404.482 3.565 20 30 HHEDLO C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000469752518 987404585 /nfs/dbraw/zinc/40/45/85/987404585.db2.gz NDUGNKOSNJURCT-VWEINGBSSA-N 1 2 407.518 3.737 20 30 HHEDLO N#Cc1cccnc1OC1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000445483591 987544551 /nfs/dbraw/zinc/54/45/51/987544551.db2.gz PQRQMEYNZAZHDE-UHFFFAOYSA-N 1 2 411.469 3.884 20 30 HHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000470009324 987621558 /nfs/dbraw/zinc/62/15/58/987621558.db2.gz QXVRABUBSOGBKT-UHFFFAOYSA-N 1 2 400.482 3.942 20 30 HHEDLO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000463845932 987950400 /nfs/dbraw/zinc/95/04/00/987950400.db2.gz JPSNMPMUAMTIDF-DLBZAZTESA-N 1 2 413.946 3.616 20 30 HHEDLO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000463845932 987950411 /nfs/dbraw/zinc/95/04/11/987950411.db2.gz JPSNMPMUAMTIDF-DLBZAZTESA-N 1 2 413.946 3.616 20 30 HHEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](c2ccsc2)O1 ZINC000470218085 988145573 /nfs/dbraw/zinc/14/55/73/988145573.db2.gz LLEFFQBGZMSARZ-CXAGYDPISA-N 1 2 401.557 3.961 20 30 HHEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](c2ccsc2)O1 ZINC000470218085 988145578 /nfs/dbraw/zinc/14/55/78/988145578.db2.gz LLEFFQBGZMSARZ-CXAGYDPISA-N 1 2 401.557 3.961 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000470307716 988265109 /nfs/dbraw/zinc/26/51/09/988265109.db2.gz JRJSIZOWDYFFHN-HXUWFJFHSA-N 1 2 416.529 3.834 20 30 HHEDLO COc1cccc([C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2Cl)c1 ZINC000470530956 988534198 /nfs/dbraw/zinc/53/41/98/988534198.db2.gz SFJKYMARPRBXRV-QFIPXVFZSA-N 1 2 410.905 3.684 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470931249 989002119 /nfs/dbraw/zinc/00/21/19/989002119.db2.gz KBOZQGQTBFIGQL-WMLDXEAASA-N 1 2 408.424 3.829 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470931249 989002128 /nfs/dbraw/zinc/00/21/28/989002128.db2.gz KBOZQGQTBFIGQL-WMLDXEAASA-N 1 2 408.424 3.829 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000465560867 989926798 /nfs/dbraw/zinc/92/67/98/989926798.db2.gz AWCHTELHWOLSKI-DHIUTWEWSA-N 1 2 413.525 3.955 20 30 HHEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(-c4nc5ccccc5s4)o3)CC2)c1C#N ZINC000471804721 989987897 /nfs/dbraw/zinc/98/78/97/989987897.db2.gz OJPJNQMZGGHAMQ-UHFFFAOYSA-N 1 2 418.526 3.792 20 30 HHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000471891504 990064753 /nfs/dbraw/zinc/06/47/53/990064753.db2.gz ZESNZEYAQFWUFM-UHFFFAOYSA-N 1 2 423.557 3.850 20 30 HHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000471891504 990064759 /nfs/dbraw/zinc/06/47/59/990064759.db2.gz ZESNZEYAQFWUFM-UHFFFAOYSA-N 1 2 423.557 3.850 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000471963157 990128759 /nfs/dbraw/zinc/12/87/59/990128759.db2.gz GXEWMUJHXQXZFX-IEBWSBKVSA-N 1 2 415.444 3.609 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000471963157 990128763 /nfs/dbraw/zinc/12/87/63/990128763.db2.gz GXEWMUJHXQXZFX-IEBWSBKVSA-N 1 2 415.444 3.609 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471999300 990167711 /nfs/dbraw/zinc/16/77/11/990167711.db2.gz SLWRVCQJRPOLPB-FUHWJXTLSA-N 1 2 404.877 3.546 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471999300 990167717 /nfs/dbraw/zinc/16/77/17/990167717.db2.gz SLWRVCQJRPOLPB-FUHWJXTLSA-N 1 2 404.877 3.546 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNc3cc(C#N)ccc3[N+](=O)[O-])[nH+]c12 ZINC000466479467 991771539 /nfs/dbraw/zinc/77/15/39/991771539.db2.gz WWDRDMVGIDPCNZ-UHFFFAOYSA-N 1 2 400.236 3.840 20 30 HHEDLO Cc1ccc(-c2nc(CNC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000466770919 992078010 /nfs/dbraw/zinc/07/80/10/992078010.db2.gz BWSCSDNKCMDSOR-UHFFFAOYSA-N 1 2 415.497 3.549 20 30 HHEDLO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000467174292 992495283 /nfs/dbraw/zinc/49/52/83/992495283.db2.gz UCAOEIMIIBCZFO-CQSZACIVSA-N 1 2 419.913 3.789 20 30 HHEDLO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000467174292 992495286 /nfs/dbraw/zinc/49/52/86/992495286.db2.gz UCAOEIMIIBCZFO-CQSZACIVSA-N 1 2 419.913 3.789 20 30 HHEDLO C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472329508 993338472 /nfs/dbraw/zinc/33/84/72/993338472.db2.gz SSIVVIIFYBTALE-KSFYIVLOSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000472329508 993338478 /nfs/dbraw/zinc/33/84/78/993338478.db2.gz SSIVVIIFYBTALE-KSFYIVLOSA-N 1 2 403.461 3.905 20 30 HHEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000473363358 994224545 /nfs/dbraw/zinc/22/45/45/994224545.db2.gz VBBGTPBLIHRIQV-UHFFFAOYSA-N 1 2 420.472 3.527 20 30 HHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000481473155 994307181 /nfs/dbraw/zinc/30/71/81/994307181.db2.gz OGFIYKCARIUKGC-UHFFFAOYSA-N 1 2 424.520 3.520 20 30 HHEDLO CC1(C)COCC[N@H+]1CCNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000481473155 994307190 /nfs/dbraw/zinc/30/71/90/994307190.db2.gz OGFIYKCARIUKGC-UHFFFAOYSA-N 1 2 424.520 3.520 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481709896 994572230 /nfs/dbraw/zinc/57/22/30/994572230.db2.gz BCQORNJPAGMVOV-NPMXOYFQSA-N 1 2 407.539 3.957 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481709896 994572237 /nfs/dbraw/zinc/57/22/37/994572237.db2.gz BCQORNJPAGMVOV-NPMXOYFQSA-N 1 2 407.539 3.957 20 30 HHEDLO COc1cc(I)c(Cl)cc1C[NH2+]Cc1ccc(C#N)o1 ZINC000481749168 994602543 /nfs/dbraw/zinc/60/25/43/994602543.db2.gz WZHSOZFPWYHRFM-UHFFFAOYSA-N 1 2 402.619 3.708 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474189177 995179743 /nfs/dbraw/zinc/17/97/43/995179743.db2.gz MJFMPCDLBUDQET-CTNGQTDRSA-N 1 2 413.443 3.959 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474189177 995179747 /nfs/dbraw/zinc/17/97/47/995179747.db2.gz MJFMPCDLBUDQET-CTNGQTDRSA-N 1 2 413.443 3.959 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)C2 ZINC000474697659 995638610 /nfs/dbraw/zinc/63/86/10/995638610.db2.gz LYVLWXOPHZIWJF-SUMWQHHRSA-N 1 2 401.308 3.782 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)CC2 ZINC000474697659 995638617 /nfs/dbraw/zinc/63/86/17/995638617.db2.gz LYVLWXOPHZIWJF-SUMWQHHRSA-N 1 2 401.308 3.782 20 30 HHEDLO COc1cccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2cc(F)ccc2OC)c1 ZINC000475148791 995954824 /nfs/dbraw/zinc/95/48/24/995954824.db2.gz ARJTUGDWHLHAJR-GOTSBHOMSA-N 1 2 413.493 3.576 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000483246095 996058486 /nfs/dbraw/zinc/05/84/86/996058486.db2.gz SASUJAMLNZKIMN-FQEVSTJZSA-N 1 2 414.509 3.966 20 30 HHEDLO Cn1c2ccc(C[NH+]3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)cc2sc1=O ZINC000475344731 996080824 /nfs/dbraw/zinc/08/08/24/996080824.db2.gz DLNNXRQTYYIKLC-LJQANCHMSA-N 1 2 412.946 3.636 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475400550 996115349 /nfs/dbraw/zinc/11/53/49/996115349.db2.gz OXMGORJAWLELNY-GMAHTHKFSA-N 1 2 406.505 3.861 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000475406020 996119978 /nfs/dbraw/zinc/11/99/78/996119978.db2.gz CZDABCBLIWXCBQ-UHFFFAOYSA-N 1 2 406.530 3.789 20 30 HHEDLO C=CCc1cc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc(OC)c1OC ZINC000475450411 996148797 /nfs/dbraw/zinc/14/87/97/996148797.db2.gz GJKYVQURPSVTQL-UHFFFAOYSA-N 1 2 415.440 3.685 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000475567265 996222590 /nfs/dbraw/zinc/22/25/90/996222590.db2.gz KGPKCPLBFFDXEX-UHFFFAOYSA-N 1 2 419.533 3.569 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)c1 ZINC000475612385 996247748 /nfs/dbraw/zinc/24/77/48/996247748.db2.gz ONZHSPGXWKRADP-DENIHFKCSA-N 1 2 410.518 3.703 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000475737679 996337083 /nfs/dbraw/zinc/33/70/83/996337083.db2.gz MOBUBEVAASKDHT-SLQAJWMNSA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1C ZINC000475737679 996337087 /nfs/dbraw/zinc/33/70/87/996337087.db2.gz MOBUBEVAASKDHT-SLQAJWMNSA-N 1 2 411.571 3.981 20 30 HHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000476466352 996941917 /nfs/dbraw/zinc/94/19/17/996941917.db2.gz BLAHFFQKWSBKBI-UHFFFAOYSA-N 1 2 409.555 3.691 20 30 HHEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000476466352 996941926 /nfs/dbraw/zinc/94/19/26/996941926.db2.gz BLAHFFQKWSBKBI-UHFFFAOYSA-N 1 2 409.555 3.691 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(CCC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000485013531 997378799 /nfs/dbraw/zinc/37/87/99/997378799.db2.gz ICQNLMFWNPRTTD-UHFFFAOYSA-N 1 2 416.447 3.723 20 30 HHEDLO CC(C)[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477490142 998211344 /nfs/dbraw/zinc/21/13/44/998211344.db2.gz FLAWATZPJQHOBX-ZWKOTPCHSA-N 1 2 413.946 3.616 20 30 HHEDLO CC(C)[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477490142 998211351 /nfs/dbraw/zinc/21/13/51/998211351.db2.gz FLAWATZPJQHOBX-ZWKOTPCHSA-N 1 2 413.946 3.616 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000477586435 998303497 /nfs/dbraw/zinc/30/34/97/998303497.db2.gz JUWGEZRORYTZAL-LJQANCHMSA-N 1 2 409.530 3.848 20 30 HHEDLO Cc1cc(C[NH+]2CCN(CCCc3nc(-c4cccs4)no3)CC2)ccc1C#N ZINC000486808295 998949268 /nfs/dbraw/zinc/94/92/68/998949268.db2.gz CBBZAQGXYLWQKH-UHFFFAOYSA-N 1 2 407.543 3.729 20 30 HHEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c(C#N)c1C ZINC000478974782 999230249 /nfs/dbraw/zinc/23/02/49/999230249.db2.gz FPUSMAKFUFFRSY-UHFFFAOYSA-N 1 2 414.506 3.665 20 30 HHEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C(N)=O)cc1 ZINC000479186542 999316487 /nfs/dbraw/zinc/31/64/87/999316487.db2.gz DCFINGKBNAUHPZ-OAHLLOKOSA-N 1 2 412.209 3.656 20 30 HHEDLO N#Cc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1Br ZINC000487968896 999331089 /nfs/dbraw/zinc/33/10/89/999331089.db2.gz ONWQTYRKFQAMHW-UHFFFAOYSA-N 1 2 410.275 3.887 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCO1 ZINC000488264159 999415713 /nfs/dbraw/zinc/41/57/13/999415713.db2.gz NOKQSDXGZJEOQO-OAQYLSRUSA-N 1 2 422.529 3.678 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CCO1 ZINC000488264159 999415716 /nfs/dbraw/zinc/41/57/16/999415716.db2.gz NOKQSDXGZJEOQO-OAQYLSRUSA-N 1 2 422.529 3.678 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1 ZINC000488461121 999493987 /nfs/dbraw/zinc/49/39/87/999493987.db2.gz IDRRXZZUEXZHOV-SFHVURJKSA-N 1 2 412.465 3.722 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1 ZINC000488461121 999493992 /nfs/dbraw/zinc/49/39/92/999493992.db2.gz IDRRXZZUEXZHOV-SFHVURJKSA-N 1 2 412.465 3.722 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479774895 999585393 /nfs/dbraw/zinc/58/53/93/999585393.db2.gz CGYUPDARTQYOKI-TZIWHRDSSA-N 1 2 401.457 3.774 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479774895 999585394 /nfs/dbraw/zinc/58/53/94/999585394.db2.gz CGYUPDARTQYOKI-TZIWHRDSSA-N 1 2 401.457 3.774 20 30 HHEDLO N#Cc1c(C#N)c(N2CC[NH+](Cc3cccc(O)c3)CC2)nc2c1CCCCCC2 ZINC000479972588 999669385 /nfs/dbraw/zinc/66/93/85/999669385.db2.gz YIIWWLQEJIZENR-UHFFFAOYSA-N 1 2 401.514 3.512 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1C ZINC000489009957 999671019 /nfs/dbraw/zinc/67/10/19/999671019.db2.gz IYFUYFBHXRILKA-IBGZPJMESA-N 1 2 410.493 3.628 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1C ZINC000489009957 999671022 /nfs/dbraw/zinc/67/10/22/999671022.db2.gz IYFUYFBHXRILKA-IBGZPJMESA-N 1 2 410.493 3.628 20 30 HHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000480114554 999720978 /nfs/dbraw/zinc/72/09/78/999720978.db2.gz DYSZKFGZDGKHIT-FQEVSTJZSA-N 1 2 407.539 3.646 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3Br)CC2)no1 ZINC000480245473 999755131 /nfs/dbraw/zinc/75/51/31/999755131.db2.gz ITCRLOOXLLVMJN-OAHLLOKOSA-N 1 2 404.312 3.503 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3Br)CC2)no1 ZINC000480245473 999755132 /nfs/dbraw/zinc/75/51/32/999755132.db2.gz ITCRLOOXLLVMJN-OAHLLOKOSA-N 1 2 404.312 3.503 20 30 HHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000489505830 999780288 /nfs/dbraw/zinc/78/02/88/999780288.db2.gz FSZUDXUKXPFRAN-SFHVURJKSA-N 1 2 423.513 3.935 20 30 HHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC000489505830 999780290 /nfs/dbraw/zinc/78/02/90/999780290.db2.gz FSZUDXUKXPFRAN-SFHVURJKSA-N 1 2 423.513 3.935 20 30 HHEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000480687672 999859514 /nfs/dbraw/zinc/85/95/14/999859514.db2.gz YAUMMNNSOFYKRH-UHFFFAOYSA-N 1 2 412.331 3.977 20 30 HHEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000480687672 999859515 /nfs/dbraw/zinc/85/95/15/999859515.db2.gz YAUMMNNSOFYKRH-UHFFFAOYSA-N 1 2 412.331 3.977 20 30 HHEDLO Cc1sc(NC(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C#N)c1C ZINC000492493589 1000129517 /nfs/dbraw/zinc/12/95/17/1000129517.db2.gz ZFOZHYDKWOLYGB-UHFFFAOYSA-N 1 2 411.453 3.728 20 30 HHEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000494581325 1000563812 /nfs/dbraw/zinc/56/38/12/1000563812.db2.gz XORPYHGDDYTSKO-JOCHJYFZSA-N 1 2 417.488 3.758 20 30 HHEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000494581325 1000563819 /nfs/dbraw/zinc/56/38/19/1000563819.db2.gz XORPYHGDDYTSKO-JOCHJYFZSA-N 1 2 417.488 3.758 20 30 HHEDLO COc1cc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000494784568 1000654742 /nfs/dbraw/zinc/65/47/42/1000654742.db2.gz LFGHDNLJNUKPLL-DEOSSOPVSA-N 1 2 415.493 3.804 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000494784568 1000654746 /nfs/dbraw/zinc/65/47/46/1000654746.db2.gz LFGHDNLJNUKPLL-DEOSSOPVSA-N 1 2 415.493 3.804 20 30 HHEDLO O=C1[C@@H]([NH+]2CCN(CC#Cc3ccc(Cl)cc3)CC2)CCCN1Cc1ccccc1 ZINC000505458379 1000787397 /nfs/dbraw/zinc/78/73/97/1000787397.db2.gz UFCKBOIGRJPCKP-DEOSSOPVSA-N 1 2 421.972 3.500 20 30 HHEDLO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505541281 1000888772 /nfs/dbraw/zinc/88/87/72/1000888772.db2.gz WSPHEKZMGDGLCJ-ROUUACIJSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1c(Cl)cccc1Cl ZINC000505541281 1000888779 /nfs/dbraw/zinc/88/87/79/1000888779.db2.gz WSPHEKZMGDGLCJ-ROUUACIJSA-N 1 2 404.297 3.575 20 30 HHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n2)CC1 ZINC000505729580 1000996012 /nfs/dbraw/zinc/99/60/12/1000996012.db2.gz NLGMKTJOTAFVKO-FQEVSTJZSA-N 1 2 406.552 3.575 20 30 HHEDLO N#Cc1ccc(Cc2cnc(NC(=O)NCCn3cc[nH+]c3)s2)c(C(F)(F)F)c1 ZINC000496337252 1001161155 /nfs/dbraw/zinc/16/11/55/1001161155.db2.gz CMFAEKLJZCMNCZ-UHFFFAOYSA-N 1 2 420.420 3.643 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1OC ZINC000506050895 1001191600 /nfs/dbraw/zinc/19/16/00/1001191600.db2.gz HGNGWXFMKDRXRI-UHFFFAOYSA-N 1 2 423.557 3.633 20 30 HHEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506131487 1001238867 /nfs/dbraw/zinc/23/88/67/1001238867.db2.gz NUWCARSCVNJWHO-UHFFFAOYSA-N 1 2 421.419 3.673 20 30 HHEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506131487 1001238871 /nfs/dbraw/zinc/23/88/71/1001238871.db2.gz NUWCARSCVNJWHO-UHFFFAOYSA-N 1 2 421.419 3.673 20 30 HHEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000506249059 1001305958 /nfs/dbraw/zinc/30/59/58/1001305958.db2.gz YPWUSAPVCBOSOH-UHFFFAOYSA-N 1 2 412.541 3.814 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)cc1 ZINC000506625561 1001475546 /nfs/dbraw/zinc/47/55/46/1001475546.db2.gz TVVVYFURUGZTJG-UHFFFAOYSA-N 1 2 420.513 3.628 20 30 HHEDLO N#CCCCOc1cccc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000506671093 1001489148 /nfs/dbraw/zinc/48/91/48/1001489148.db2.gz WSOBMJXIZPHASV-UHFFFAOYSA-N 1 2 423.542 3.798 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497721836 1001495357 /nfs/dbraw/zinc/49/53/57/1001495357.db2.gz IBIQIEQTRPZDRR-SFTDATJTSA-N 1 2 414.912 3.982 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497721836 1001495361 /nfs/dbraw/zinc/49/53/61/1001495361.db2.gz IBIQIEQTRPZDRR-SFTDATJTSA-N 1 2 414.912 3.982 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)c(F)c1 ZINC000507166874 1001855040 /nfs/dbraw/zinc/85/50/40/1001855040.db2.gz ZNOPBKSAHZRZBE-UHFFFAOYSA-N 1 2 406.505 3.646 20 30 HHEDLO N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1 ZINC000507316024 1001995471 /nfs/dbraw/zinc/99/54/71/1001995471.db2.gz FMIHHPZOXQYCIO-UHFFFAOYSA-N 1 2 415.497 3.556 20 30 HHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000507534628 1002143649 /nfs/dbraw/zinc/14/36/49/1002143649.db2.gz SSBYHRADUQZVDS-XMMPIXPASA-N 1 2 400.526 3.708 20 30 HHEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507698574 1002291208 /nfs/dbraw/zinc/29/12/08/1002291208.db2.gz GDCBYQUEQGIWLG-CTNGQTDRSA-N 1 2 418.324 3.830 20 30 HHEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000507698574 1002291217 /nfs/dbraw/zinc/29/12/17/1002291217.db2.gz GDCBYQUEQGIWLG-CTNGQTDRSA-N 1 2 418.324 3.830 20 30 HHEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498923330 1002318909 /nfs/dbraw/zinc/31/89/09/1002318909.db2.gz PLDQCRGVKZWQMC-UHFFFAOYSA-N 1 2 423.369 3.725 20 30 HHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000507840371 1002380850 /nfs/dbraw/zinc/38/08/50/1002380850.db2.gz FWDFSYLHMDILNB-OAQYLSRUSA-N 1 2 422.483 3.905 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499253332 1002652107 /nfs/dbraw/zinc/65/21/07/1002652107.db2.gz ZYUNLOPNHBXXSW-MRXNPFEDSA-N 1 2 407.442 3.623 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499253332 1002652115 /nfs/dbraw/zinc/65/21/15/1002652115.db2.gz ZYUNLOPNHBXXSW-MRXNPFEDSA-N 1 2 407.442 3.623 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499270513 1002675810 /nfs/dbraw/zinc/67/58/10/1002675810.db2.gz CSTHLUNTLKWLFV-FQEVSTJZSA-N 1 2 404.413 3.621 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499270513 1002675814 /nfs/dbraw/zinc/67/58/14/1002675814.db2.gz CSTHLUNTLKWLFV-FQEVSTJZSA-N 1 2 404.413 3.621 20 30 HHEDLO N#Cc1ccc(OC2CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000508207194 1002739790 /nfs/dbraw/zinc/73/97/90/1002739790.db2.gz RCVWXEZRZSYTOZ-UHFFFAOYSA-N 1 2 415.497 3.556 20 30 HHEDLO CC(C)(C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1)c1ccccc1 ZINC000508598438 1003056360 /nfs/dbraw/zinc/05/63/60/1003056360.db2.gz HDKYHSLWBPNFMS-UHFFFAOYSA-N 1 2 405.542 3.991 20 30 HHEDLO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508832427 1003254162 /nfs/dbraw/zinc/25/41/62/1003254162.db2.gz KKWFMBRMSDVTFM-UHFFFAOYSA-N 1 2 414.966 3.872 20 30 HHEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000508834311 1003256372 /nfs/dbraw/zinc/25/63/72/1003256372.db2.gz STFVRYJMLCIDFB-INIZCTEOSA-N 1 2 410.472 3.688 20 30 HHEDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000499948489 1003270845 /nfs/dbraw/zinc/27/08/45/1003270845.db2.gz BKAUVMLEEOHPLJ-ZUZCIYMTSA-N 1 2 407.898 3.551 20 30 HHEDLO C=CCn1c(-c2ccccc2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508857052 1003277267 /nfs/dbraw/zinc/27/72/67/1003277267.db2.gz MSZXXUOFXLBTQW-UHFFFAOYSA-N 1 2 403.534 3.680 20 30 HHEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000508955410 1003413114 /nfs/dbraw/zinc/41/31/14/1003413114.db2.gz GFZDTHSYCDRVSS-INIZCTEOSA-N 1 2 410.472 3.688 20 30 HHEDLO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000509000010 1003472243 /nfs/dbraw/zinc/47/22/43/1003472243.db2.gz IKBDVTIVZCQHHI-UHFFFAOYSA-N 1 2 408.937 3.810 20 30 HHEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1OC ZINC000500384299 1003680409 /nfs/dbraw/zinc/68/04/09/1003680409.db2.gz NPRLZAAUDOTIJQ-UHFFFAOYSA-N 1 2 409.328 3.659 20 30 HHEDLO CCc1nc(CN2CC[NH+](Cc3ccc(OC)c(OCCCC#N)c3)CC2)cs1 ZINC000512057791 1003989327 /nfs/dbraw/zinc/98/93/27/1003989327.db2.gz LSPGDKAAHXRMIA-UHFFFAOYSA-N 1 2 414.575 3.714 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000512151019 1004059842 /nfs/dbraw/zinc/05/98/42/1004059842.db2.gz BFFLNXGOYWGLOY-LJQANCHMSA-N 1 2 424.419 3.854 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000512151019 1004059849 /nfs/dbraw/zinc/05/98/49/1004059849.db2.gz BFFLNXGOYWGLOY-LJQANCHMSA-N 1 2 424.419 3.854 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000512176611 1004078853 /nfs/dbraw/zinc/07/88/53/1004078853.db2.gz CYJCVEVJLLXWHX-OAQYLSRUSA-N 1 2 404.457 3.619 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000512176611 1004078864 /nfs/dbraw/zinc/07/88/64/1004078864.db2.gz CYJCVEVJLLXWHX-OAQYLSRUSA-N 1 2 404.457 3.619 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000512194972 1004095845 /nfs/dbraw/zinc/09/58/45/1004095845.db2.gz MOPPOHXLDFQALN-LJQANCHMSA-N 1 2 419.319 3.718 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000512194972 1004095849 /nfs/dbraw/zinc/09/58/49/1004095849.db2.gz MOPPOHXLDFQALN-LJQANCHMSA-N 1 2 419.319 3.718 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000512197579 1004097989 /nfs/dbraw/zinc/09/79/89/1004097989.db2.gz STVJNLPVEGVJKG-FQEVSTJZSA-N 1 2 420.456 3.947 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000512197579 1004097998 /nfs/dbraw/zinc/09/79/98/1004097998.db2.gz STVJNLPVEGVJKG-FQEVSTJZSA-N 1 2 420.456 3.947 20 30 HHEDLO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512660648 1004471005 /nfs/dbraw/zinc/47/10/05/1004471005.db2.gz OGAOXSUTYCYDBR-MRXNPFEDSA-N 1 2 401.507 3.723 20 30 HHEDLO N#Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cnc1C(F)(F)F ZINC000512758788 1004541268 /nfs/dbraw/zinc/54/12/68/1004541268.db2.gz LRWRBOOUBNMTIU-CYBMUJFWSA-N 1 2 403.408 3.525 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1C ZINC000501603106 1004546212 /nfs/dbraw/zinc/54/62/12/1004546212.db2.gz IXXLBPVDKXKAFY-GHXNOFRVSA-N 1 2 416.569 3.881 20 30 HHEDLO N#CCCN(C(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000501604480 1004546700 /nfs/dbraw/zinc/54/67/00/1004546700.db2.gz MHRHHFQCXIOZSU-UITAMQMPSA-N 1 2 422.960 3.918 20 30 HHEDLO Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512805584 1004569545 /nfs/dbraw/zinc/56/95/45/1004569545.db2.gz IYXFQCQFEGZOBP-UHFFFAOYSA-N 1 2 416.518 3.713 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512812021 1004574182 /nfs/dbraw/zinc/57/41/82/1004574182.db2.gz OLGHNKUYMWFKJF-OAHLLOKOSA-N 1 2 420.435 3.605 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512812021 1004574189 /nfs/dbraw/zinc/57/41/89/1004574189.db2.gz OLGHNKUYMWFKJF-OAHLLOKOSA-N 1 2 420.435 3.605 20 30 HHEDLO Cc1sc2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)nc(N)c2c1C ZINC000512815808 1004576465 /nfs/dbraw/zinc/57/64/65/1004576465.db2.gz DPGJJCSNZXZKDP-UHFFFAOYSA-N 1 2 411.506 3.945 20 30 HHEDLO COc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)o2)cc1 ZINC000512825932 1004584216 /nfs/dbraw/zinc/58/42/16/1004584216.db2.gz AKHFUFAGAPPJNT-UHFFFAOYSA-N 1 2 408.433 3.799 20 30 HHEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(F)c1 ZINC000502162759 1004931126 /nfs/dbraw/zinc/93/11/26/1004931126.db2.gz AEEMTGVDQPYPJY-INIZCTEOSA-N 1 2 408.477 3.684 20 30 HHEDLO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510972506 1004960959 /nfs/dbraw/zinc/96/09/59/1004960959.db2.gz YQVVRUMBHANXIH-SFHVURJKSA-N 1 2 422.504 3.786 20 30 HHEDLO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000511107669 1005022209 /nfs/dbraw/zinc/02/22/09/1005022209.db2.gz LLDJIWIGGVBNAX-LJQANCHMSA-N 1 2 401.528 3.546 20 30 HHEDLO C=CC[N@H+](Cc1cc(OC)c(OC)cc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000511107669 1005022214 /nfs/dbraw/zinc/02/22/14/1005022214.db2.gz LLDJIWIGGVBNAX-LJQANCHMSA-N 1 2 401.528 3.546 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC=C(c3ccco3)C2)c1C#N ZINC000511144459 1005043722 /nfs/dbraw/zinc/04/37/22/1005043722.db2.gz SIQVIVMKXXRESK-UHFFFAOYSA-N 1 2 404.470 3.939 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC=C(c3ccco3)C2)c1C#N ZINC000511144459 1005043725 /nfs/dbraw/zinc/04/37/25/1005043725.db2.gz SIQVIVMKXXRESK-UHFFFAOYSA-N 1 2 404.470 3.939 20 30 HHEDLO CCOc1cc2c(cc1NC(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)O[C@H](C)C2 ZINC000511179010 1005061296 /nfs/dbraw/zinc/06/12/96/1005061296.db2.gz XWJVBBGHPHMCLH-QGZVFWFLSA-N 1 2 420.513 3.630 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502543862 1005111456 /nfs/dbraw/zinc/11/14/56/1005111456.db2.gz LFJSQDVOTAENJR-UHFFFAOYSA-N 1 2 412.704 3.951 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000502543862 1005111457 /nfs/dbraw/zinc/11/14/57/1005111457.db2.gz LFJSQDVOTAENJR-UHFFFAOYSA-N 1 2 412.704 3.951 20 30 HHEDLO N#CCCN(C(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc(Cl)c1 ZINC000502744706 1005198538 /nfs/dbraw/zinc/19/85/38/1005198538.db2.gz UGSGWEDQPVXVQR-UHFFFAOYSA-N 1 2 414.912 3.544 20 30 HHEDLO Cc1nc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)sc1SCC#N ZINC000514246707 1005331793 /nfs/dbraw/zinc/33/17/93/1005331793.db2.gz PFBGABKVSDHBQW-UHFFFAOYSA-N 1 2 403.558 3.895 20 30 HHEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 ZINC000514501726 1006008039 /nfs/dbraw/zinc/00/80/39/1006008039.db2.gz AZAOXSCARUEBLS-UHFFFAOYSA-N 1 2 409.471 3.949 20 30 HHEDLO CCOc1ccc(F)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000534044397 1006013358 /nfs/dbraw/zinc/01/33/58/1006013358.db2.gz FNODHOAURWWRQJ-UHFFFAOYSA-N 1 2 400.429 3.585 20 30 HHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664250 1006944188 /nfs/dbraw/zinc/94/41/88/1006944188.db2.gz OIMJRYRUIYGMFK-LPHOPBHVSA-N 1 2 406.534 3.931 20 30 HHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664250 1006944200 /nfs/dbraw/zinc/94/42/00/1006944200.db2.gz OIMJRYRUIYGMFK-LPHOPBHVSA-N 1 2 406.534 3.931 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCN(C)c3ccccc3C2)c1C#N ZINC000532546650 1006979246 /nfs/dbraw/zinc/97/92/46/1006979246.db2.gz JIDKZIDBAVXHQN-UHFFFAOYSA-N 1 2 417.513 3.508 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCN(C)c3ccccc3C2)c1C#N ZINC000532546650 1006979255 /nfs/dbraw/zinc/97/92/55/1006979255.db2.gz JIDKZIDBAVXHQN-UHFFFAOYSA-N 1 2 417.513 3.508 20 30 HHEDLO C[C@@H](c1cccc2ccccc21)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000516298393 1007002865 /nfs/dbraw/zinc/00/28/65/1007002865.db2.gz NEYHOPAIXYSMOE-SFHVURJKSA-N 1 2 405.523 3.779 20 30 HHEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000532666248 1007082134 /nfs/dbraw/zinc/08/21/34/1007082134.db2.gz QKIMNRARMNIRHG-MRXNPFEDSA-N 1 2 411.527 3.938 20 30 HHEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000532666248 1007082151 /nfs/dbraw/zinc/08/21/51/1007082151.db2.gz QKIMNRARMNIRHG-MRXNPFEDSA-N 1 2 411.527 3.938 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCSC[C@H]2CCO)cc1OCC ZINC000538811743 1007091533 /nfs/dbraw/zinc/09/15/33/1007091533.db2.gz DQHBTGZSAJORNF-OAHLLOKOSA-N 1 2 416.381 3.712 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCSC[C@H]2CCO)cc1OCC ZINC000538811743 1007091548 /nfs/dbraw/zinc/09/15/48/1007091548.db2.gz DQHBTGZSAJORNF-OAHLLOKOSA-N 1 2 416.381 3.712 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(C#N)c1C ZINC000532689233 1007103702 /nfs/dbraw/zinc/10/37/02/1007103702.db2.gz RYCKAGFHCJLJKR-HNNXBMFYSA-N 1 2 418.501 3.760 20 30 HHEDLO COc1cc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)ccc1OC(F)F ZINC000532918242 1007290545 /nfs/dbraw/zinc/29/05/45/1007290545.db2.gz NCLGKNMQPONWQU-UHFFFAOYSA-N 1 2 419.428 3.981 20 30 HHEDLO COc1cc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)ccc1OC(F)F ZINC000532918242 1007290554 /nfs/dbraw/zinc/29/05/54/1007290554.db2.gz NCLGKNMQPONWQU-UHFFFAOYSA-N 1 2 419.428 3.981 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000532963913 1007331609 /nfs/dbraw/zinc/33/16/09/1007331609.db2.gz XOCNCQJTQVGGHD-OWLMGLOSSA-N 1 2 420.532 3.792 20 30 HHEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C#N)c1C ZINC000533221863 1007546057 /nfs/dbraw/zinc/54/60/57/1007546057.db2.gz DLROXGZPTPSHOU-UHFFFAOYSA-N 1 2 422.554 3.732 20 30 HHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C#N)c1C ZINC000533221863 1007546068 /nfs/dbraw/zinc/54/60/68/1007546068.db2.gz DLROXGZPTPSHOU-UHFFFAOYSA-N 1 2 422.554 3.732 20 30 HHEDLO Cc1cc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000533246697 1007566197 /nfs/dbraw/zinc/56/61/97/1007566197.db2.gz ZQMYZPIDEBJQCN-SFHVURJKSA-N 1 2 405.420 3.775 20 30 HHEDLO Cc1cc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc(C)c1OCC(F)(F)F ZINC000533246697 1007566203 /nfs/dbraw/zinc/56/62/03/1007566203.db2.gz ZQMYZPIDEBJQCN-SFHVURJKSA-N 1 2 405.420 3.775 20 30 HHEDLO CCCCn1c2nc(C[N@H+](CC)[C@@H](C)c3ccc(C#N)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000533248403 1007567485 /nfs/dbraw/zinc/56/74/85/1007567485.db2.gz JGWULUXPKXXMEH-INIZCTEOSA-N 1 2 422.533 3.573 20 30 HHEDLO CCCCn1c2nc(C[N@@H+](CC)[C@@H](C)c3ccc(C#N)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000533248403 1007567497 /nfs/dbraw/zinc/56/74/97/1007567497.db2.gz JGWULUXPKXXMEH-INIZCTEOSA-N 1 2 422.533 3.573 20 30 HHEDLO COc1cc(C[NH+]2CCN(CC(F)F)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533260224 1007576392 /nfs/dbraw/zinc/57/63/92/1007576392.db2.gz JBZYITGNHZEUHF-UHFFFAOYSA-N 1 2 401.457 3.529 20 30 HHEDLO C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533280314 1007592047 /nfs/dbraw/zinc/59/20/47/1007592047.db2.gz NUNILOJQVBTREB-DEOSSOPVSA-N 1 2 415.493 3.674 20 30 HHEDLO C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533280314 1007592050 /nfs/dbraw/zinc/59/20/50/1007592050.db2.gz NUNILOJQVBTREB-DEOSSOPVSA-N 1 2 415.493 3.674 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000533295632 1007611584 /nfs/dbraw/zinc/61/15/84/1007611584.db2.gz GLVKMVQQGDLLRQ-VXKWHMMOSA-N 1 2 419.573 3.712 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000533312292 1007627208 /nfs/dbraw/zinc/62/72/08/1007627208.db2.gz PRYJGXFQTUWYDI-IEBWSBKVSA-N 1 2 411.468 3.982 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000533312292 1007627214 /nfs/dbraw/zinc/62/72/14/1007627214.db2.gz PRYJGXFQTUWYDI-IEBWSBKVSA-N 1 2 411.468 3.982 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000533347239 1007655498 /nfs/dbraw/zinc/65/54/98/1007655498.db2.gz CGFOUDRTZALHLI-LPHOPBHVSA-N 1 2 411.468 3.574 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000533432355 1007746013 /nfs/dbraw/zinc/74/60/13/1007746013.db2.gz WGHAJFUTWVGRHP-MOPGFXCFSA-N 1 2 423.586 3.793 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c1C#N ZINC000533447166 1007761752 /nfs/dbraw/zinc/76/17/52/1007761752.db2.gz QAZIACZPEGAGLB-UHFFFAOYSA-N 1 2 406.461 3.881 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c1C#N ZINC000533447166 1007761758 /nfs/dbraw/zinc/76/17/58/1007761758.db2.gz QAZIACZPEGAGLB-UHFFFAOYSA-N 1 2 406.461 3.881 20 30 HHEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000535811234 1007821791 /nfs/dbraw/zinc/82/17/91/1007821791.db2.gz VAIHHWBDLACMCP-MRXNPFEDSA-N 1 2 415.478 3.951 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000533606799 1007905770 /nfs/dbraw/zinc/90/57/70/1007905770.db2.gz XTGXFRZUCBNPCZ-OAQYLSRUSA-N 1 2 411.914 3.760 20 30 HHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935495 1008479258 /nfs/dbraw/zinc/47/92/58/1008479258.db2.gz ISWHPUDAMFGLKB-HNAYVOBHSA-N 1 2 415.896 3.899 20 30 HHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935495 1008479260 /nfs/dbraw/zinc/47/92/60/1008479260.db2.gz ISWHPUDAMFGLKB-HNAYVOBHSA-N 1 2 415.896 3.899 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518967653 1008490089 /nfs/dbraw/zinc/49/00/89/1008490089.db2.gz WCXVGWFUUXATTM-SFHVURJKSA-N 1 2 415.484 3.993 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518967653 1008490094 /nfs/dbraw/zinc/49/00/94/1008490094.db2.gz WCXVGWFUUXATTM-SFHVURJKSA-N 1 2 415.484 3.993 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)n2)c(F)c1 ZINC000542958633 1008530885 /nfs/dbraw/zinc/53/08/85/1008530885.db2.gz KUUWLXSIUZVSRO-UHFFFAOYSA-N 1 2 419.464 3.590 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542964755 1008538390 /nfs/dbraw/zinc/53/83/90/1008538390.db2.gz CIVJRQIRSKONIM-ICSRJNTNSA-N 1 2 402.420 3.610 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542964755 1008538404 /nfs/dbraw/zinc/53/84/04/1008538404.db2.gz CIVJRQIRSKONIM-ICSRJNTNSA-N 1 2 402.420 3.610 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000519171476 1008575541 /nfs/dbraw/zinc/57/55/41/1008575541.db2.gz NCXQXFPNQVFNGO-DLBZAZTESA-N 1 2 424.501 3.590 20 30 HHEDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)c1 ZINC000543541717 1009135213 /nfs/dbraw/zinc/13/52/13/1009135213.db2.gz JWFXAUGHZIZXCO-DLBZAZTESA-N 1 2 419.485 3.731 20 30 HHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nc1C ZINC000543547541 1009147231 /nfs/dbraw/zinc/14/72/31/1009147231.db2.gz YODLPZDHGOFHDE-WUUIKMCFSA-N 1 2 420.579 3.598 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3ccc(F)cc3C#N)[nH+]c12 ZINC000546855062 1009816753 /nfs/dbraw/zinc/81/67/53/1009816753.db2.gz XMHSMZJYFPIPTO-UHFFFAOYSA-N 1 2 416.254 3.780 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1C ZINC000547346051 1010263301 /nfs/dbraw/zinc/26/33/01/1010263301.db2.gz LJEQARIGBAPVMP-FQEVSTJZSA-N 1 2 411.468 3.575 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000548859104 1010746656 /nfs/dbraw/zinc/74/66/56/1010746656.db2.gz CPGQARFNCNWHPY-UHFFFAOYSA-N 1 2 404.495 3.991 20 30 HHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000522634941 1011126678 /nfs/dbraw/zinc/12/66/78/1011126678.db2.gz QOOAVUJGICQDQR-UHFFFAOYSA-N 1 2 413.905 3.845 20 30 HHEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000522634941 1011126692 /nfs/dbraw/zinc/12/66/92/1011126692.db2.gz QOOAVUJGICQDQR-UHFFFAOYSA-N 1 2 413.905 3.845 20 30 HHEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000536323128 1011520103 /nfs/dbraw/zinc/52/01/03/1011520103.db2.gz CNCRWXBEBGKDFJ-SJLPKXTDSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000536323128 1011520115 /nfs/dbraw/zinc/52/01/15/1011520115.db2.gz CNCRWXBEBGKDFJ-SJLPKXTDSA-N 1 2 410.326 3.589 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cc(Cl)sc3Cl)CC2)cc1 ZINC000536597128 1011760494 /nfs/dbraw/zinc/76/04/94/1011760494.db2.gz WUPQBCBODOVXMF-UHFFFAOYSA-N 1 2 409.342 3.954 20 30 HHEDLO C=CCc1cc(C[N@H+](CC(=O)NC)Cc2cccc(C(F)(F)F)c2)cc(OC)c1O ZINC000536680417 1011843610 /nfs/dbraw/zinc/84/36/10/1011843610.db2.gz ODWANBRGKCIFMI-UHFFFAOYSA-N 1 2 422.447 3.896 20 30 HHEDLO C=CCc1cc(C[N@@H+](CC(=O)NC)Cc2cccc(C(F)(F)F)c2)cc(OC)c1O ZINC000536680417 1011843615 /nfs/dbraw/zinc/84/36/15/1011843615.db2.gz ODWANBRGKCIFMI-UHFFFAOYSA-N 1 2 422.447 3.896 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cccc(I)c2)CC1 ZINC000551834682 1011991936 /nfs/dbraw/zinc/99/19/36/1011991936.db2.gz WNXZGJZYGPMWMF-UHFFFAOYSA-N 1 2 403.267 3.744 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000537025865 1012336336 /nfs/dbraw/zinc/33/63/36/1012336336.db2.gz LYLKCLDCTZHKLN-AWEZNQCLSA-N 1 2 404.461 3.581 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000541593389 1012386517 /nfs/dbraw/zinc/38/65/17/1012386517.db2.gz GXZCZKFHVDXPFM-RTBURBONSA-N 1 2 404.297 3.667 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(Cl)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000541593389 1012386532 /nfs/dbraw/zinc/38/65/32/1012386532.db2.gz GXZCZKFHVDXPFM-RTBURBONSA-N 1 2 404.297 3.667 20 30 HHEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccc(Cl)s1 ZINC000537172244 1012577576 /nfs/dbraw/zinc/57/75/76/1012577576.db2.gz KJKQQULTWCIXMB-MRXNPFEDSA-N 1 2 423.007 3.694 20 30 HHEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccc(Cl)s1 ZINC000537172244 1012577583 /nfs/dbraw/zinc/57/75/83/1012577583.db2.gz KJKQQULTWCIXMB-MRXNPFEDSA-N 1 2 423.007 3.694 20 30 HHEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1CCc2ccccc2C1 ZINC000542069182 1012990640 /nfs/dbraw/zinc/99/06/40/1012990640.db2.gz BUNYVPKOBALCTC-HNNXBMFYSA-N 1 2 405.889 3.783 20 30 HHEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@H+]1CCc2ccccc2C1 ZINC000542069182 1012990652 /nfs/dbraw/zinc/99/06/52/1012990652.db2.gz BUNYVPKOBALCTC-HNNXBMFYSA-N 1 2 405.889 3.783 20 30 HHEDLO COC(=O)[C@H](c1ccccc1C(F)(F)F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000542090846 1013015042 /nfs/dbraw/zinc/01/50/42/1013015042.db2.gz RALWYNWOOSTLTM-FQEVSTJZSA-N 1 2 417.431 3.609 20 30 HHEDLO C=CC[C@@H](CC)NC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000537509001 1013020822 /nfs/dbraw/zinc/02/08/22/1013020822.db2.gz GRXAHLGZALOJTG-HXUWFJFHSA-N 1 2 411.525 3.701 20 30 HHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000614922488 1071987167 /nfs/dbraw/zinc/98/71/67/1071987167.db2.gz UPRSJASIVKQCIB-RDTXWAMCSA-N 1 2 401.404 3.504 20 30 HHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000614922488 1071987175 /nfs/dbraw/zinc/98/71/75/1071987175.db2.gz UPRSJASIVKQCIB-RDTXWAMCSA-N 1 2 401.404 3.504 20 30 HHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(Cc4cccc(F)c4)no3)CC2)c1 ZINC000488200678 1072121520 /nfs/dbraw/zinc/12/15/20/1072121520.db2.gz LPADOVDNCDTISY-UHFFFAOYSA-N 1 2 419.460 3.522 20 30 HHEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000729810097 1072126197 /nfs/dbraw/zinc/12/61/97/1072126197.db2.gz UCFVAWDQNKZQFL-INIZCTEOSA-N 1 2 404.919 3.938 20 30 HHEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000729810097 1072126198 /nfs/dbraw/zinc/12/61/98/1072126198.db2.gz UCFVAWDQNKZQFL-INIZCTEOSA-N 1 2 404.919 3.938 20 30 HHEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488212661 1072139442 /nfs/dbraw/zinc/13/94/42/1072139442.db2.gz CIOBDKCQVQVFEU-KYNGSXCRSA-N 1 2 409.933 3.592 20 30 HHEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488212661 1072139443 /nfs/dbraw/zinc/13/94/43/1072139443.db2.gz CIOBDKCQVQVFEU-KYNGSXCRSA-N 1 2 409.933 3.592 20 30 HHEDLO C=CCn1c(-c2cccn2C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000572050174 1073122494 /nfs/dbraw/zinc/12/24/94/1073122494.db2.gz ZMCOFSBLQPATNG-UHFFFAOYSA-N 1 2 405.550 3.608 20 30 HHEDLO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000555265300 1073298575 /nfs/dbraw/zinc/29/85/75/1073298575.db2.gz HLXDHBRQOGZPNF-UHFFFAOYSA-N 1 2 414.966 3.953 20 30 HHEDLO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 ZINC000328607125 569418870 /nfs/dbraw/zinc/41/88/70/569418870.db2.gz UPIMZMMVUFIKTH-FPOVZHCZSA-N 1 2 405.502 3.627 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164662923 719348657 /nfs/dbraw/zinc/34/86/57/719348657.db2.gz BBVQGXYYZCRVGG-UHFFFAOYSA-N 1 2 423.524 3.520 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164662923 719348660 /nfs/dbraw/zinc/34/86/60/719348660.db2.gz BBVQGXYYZCRVGG-UHFFFAOYSA-N 1 2 423.524 3.520 20 30 HHEDLO Cc1nc(CN2CCO[C@H]3CCN(c4[nH+]ccc5ccc(C#N)cc54)CC[C@H]32)cs1 ZINC001164991745 722180113 /nfs/dbraw/zinc/18/01/13/722180113.db2.gz QVWXORHCTFGDCU-YADHBBJMSA-N 1 2 419.554 3.741 20 30 HHEDLO Cc1ccc([C@@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCOCC2)cc1 ZINC000301335154 970874264 /nfs/dbraw/zinc/87/42/64/970874264.db2.gz CQAXCKAUMBULSI-JOCHJYFZSA-N 1 2 417.469 3.809 20 30 HHEDLO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000303394741 971679675 /nfs/dbraw/zinc/67/96/75/971679675.db2.gz PJOZPRJFOCFGDX-ROUUACIJSA-N 1 2 416.591 3.505 20 30 HHEDLO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000303394741 971679680 /nfs/dbraw/zinc/67/96/80/971679680.db2.gz PJOZPRJFOCFGDX-ROUUACIJSA-N 1 2 416.591 3.505 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303635165 971915219 /nfs/dbraw/zinc/91/52/19/971915219.db2.gz GCYHZBBHHIXUNY-AVRDEDQJSA-N 1 2 422.504 3.588 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303635165 971915222 /nfs/dbraw/zinc/91/52/22/971915222.db2.gz GCYHZBBHHIXUNY-AVRDEDQJSA-N 1 2 422.504 3.588 20 30 HHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000303645160 971924843 /nfs/dbraw/zinc/92/48/43/971924843.db2.gz CGZCRNXSBSFPFS-LJQANCHMSA-N 1 2 408.521 3.647 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000303903428 972473522 /nfs/dbraw/zinc/47/35/22/972473522.db2.gz LSMHUILRPXBJDN-JKHABCDFSA-N 1 2 415.505 3.765 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000303903428 972473528 /nfs/dbraw/zinc/47/35/28/972473528.db2.gz LSMHUILRPXBJDN-JKHABCDFSA-N 1 2 415.505 3.765 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000303903432 972473620 /nfs/dbraw/zinc/47/36/20/972473620.db2.gz LSMHUILRPXBJDN-XVWGUNQUSA-N 1 2 415.505 3.765 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000303903432 972473625 /nfs/dbraw/zinc/47/36/25/972473625.db2.gz LSMHUILRPXBJDN-XVWGUNQUSA-N 1 2 415.505 3.765 20 30 HHEDLO CCCCn1c(SCC(=O)NC2(C#N)CCCCC2)nnc1[C@H](CC)[NH+](C)C ZINC000004494736 960596850 /nfs/dbraw/zinc/59/68/50/960596850.db2.gz NWEINKNKJRDFSE-INIZCTEOSA-N 1 2 406.600 3.526 20 30 HHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393138 962274749 /nfs/dbraw/zinc/27/47/49/962274749.db2.gz UMRFQOIDCVEKGY-INIZCTEOSA-N 1 2 417.431 3.689 20 30 HHEDLO N#Cc1ccc(OCCSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)cc1 ZINC000022819761 963723196 /nfs/dbraw/zinc/72/31/96/963723196.db2.gz PJOISJUDMDIGIN-UHFFFAOYSA-N 1 2 419.554 3.965 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025361343 964250899 /nfs/dbraw/zinc/25/08/99/964250899.db2.gz PNLVYCQXUMPIEL-NRFANRHFSA-N 1 2 412.509 3.928 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000025361343 964250923 /nfs/dbraw/zinc/25/09/23/964250923.db2.gz PNLVYCQXUMPIEL-NRFANRHFSA-N 1 2 412.509 3.928 20 30 HHEDLO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000050994695 964439135 /nfs/dbraw/zinc/43/91/35/964439135.db2.gz GHJRZRPSVGJACI-MRXNPFEDSA-N 1 2 418.538 3.699 20 30 HHEDLO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000050994695 964439147 /nfs/dbraw/zinc/43/91/47/964439147.db2.gz GHJRZRPSVGJACI-MRXNPFEDSA-N 1 2 418.538 3.699 20 30 HHEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000026326978 964525993 /nfs/dbraw/zinc/52/59/93/964525993.db2.gz UEUAUJLAEFWWQP-LBPRGKRZSA-N 1 2 407.417 3.837 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000026326978 964525999 /nfs/dbraw/zinc/52/59/99/964525999.db2.gz UEUAUJLAEFWWQP-LBPRGKRZSA-N 1 2 407.417 3.837 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCSc3ccc(Cl)cc3)CC2)cc1 ZINC000026527898 964589272 /nfs/dbraw/zinc/58/92/72/964589272.db2.gz SFFAZGVBUKCDIA-UHFFFAOYSA-N 1 2 414.962 3.831 20 30 HHEDLO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000542564161 1013505888 /nfs/dbraw/zinc/50/58/88/1013505888.db2.gz XTZYWKKXZTXESI-ZDUSSCGKSA-N 1 2 403.451 3.548 20 30 HHEDLO Cc1nc(NCc2cccc(C(=O)NCCSCc3ccccc3C#N)c2)cc[nH+]1 ZINC000542632042 1013566493 /nfs/dbraw/zinc/56/64/93/1013566493.db2.gz DIRKZCVUQVCRFA-UHFFFAOYSA-N 1 2 417.538 3.932 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000029686777 965457932 /nfs/dbraw/zinc/45/79/32/965457932.db2.gz IHGMEDKUQUEHTE-HNNXBMFYSA-N 1 2 402.951 3.981 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538027197 1013599147 /nfs/dbraw/zinc/59/91/47/1013599147.db2.gz IBDMVKASALCEFY-CTNGQTDRSA-N 1 2 401.869 3.681 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538027197 1013599155 /nfs/dbraw/zinc/59/91/55/1013599155.db2.gz IBDMVKASALCEFY-CTNGQTDRSA-N 1 2 401.869 3.681 20 30 HHEDLO N#Cc1ccc(OCC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031895378 966148226 /nfs/dbraw/zinc/14/82/26/966148226.db2.gz ISBJQMXXBYBIEK-LJQANCHMSA-N 1 2 401.869 3.683 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000042253168 966759164 /nfs/dbraw/zinc/75/91/64/966759164.db2.gz CCBCLBIDIFUSNG-QGZVFWFLSA-N 1 2 414.912 3.936 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000045156348 967366675 /nfs/dbraw/zinc/36/66/75/967366675.db2.gz KLPDDYHUDAXFCZ-QHCPKHFHSA-N 1 2 400.482 3.768 20 30 HHEDLO C=C(C)CN(CC)C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000045965464 967609259 /nfs/dbraw/zinc/60/92/59/967609259.db2.gz KMJLFQGHWBMHJJ-UHFFFAOYSA-N 1 2 413.591 3.770 20 30 HHEDLO CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000046649993 967903427 /nfs/dbraw/zinc/90/34/27/967903427.db2.gz BWUCRUJJZHXMSE-IBGZPJMESA-N 1 2 406.530 3.934 20 30 HHEDLO COc1ccc(-c2nc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)n[nH]2)c(OC)c1 ZINC000072059770 968965205 /nfs/dbraw/zinc/96/52/05/968965205.db2.gz XUEXRYBBDGOLTN-GOSISDBHSA-N 1 2 407.474 3.742 20 30 HHEDLO COc1ccc(-c2nc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)n[nH]2)c(OC)c1 ZINC000072059770 968965212 /nfs/dbraw/zinc/96/52/12/968965212.db2.gz XUEXRYBBDGOLTN-GOSISDBHSA-N 1 2 407.474 3.742 20 30 HHEDLO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1COc2ccccc2O1 ZINC000096966023 969065607 /nfs/dbraw/zinc/06/56/07/969065607.db2.gz GCGNHYPPLKSMMI-SFHVURJKSA-N 1 2 403.482 3.900 20 30 HHEDLO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1COc2ccccc2O1 ZINC000096966023 969065617 /nfs/dbraw/zinc/06/56/17/969065617.db2.gz GCGNHYPPLKSMMI-SFHVURJKSA-N 1 2 403.482 3.900 20 30 HHEDLO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1COc2ccccc2O1 ZINC000096966022 969065920 /nfs/dbraw/zinc/06/59/20/969065920.db2.gz GCGNHYPPLKSMMI-GOSISDBHSA-N 1 2 403.482 3.900 20 30 HHEDLO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1COc2ccccc2O1 ZINC000096966022 969065930 /nfs/dbraw/zinc/06/59/30/969065930.db2.gz GCGNHYPPLKSMMI-GOSISDBHSA-N 1 2 403.482 3.900 20 30 HHEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000097571209 969164693 /nfs/dbraw/zinc/16/46/93/969164693.db2.gz BSEHDGAVMWRBKO-KRWDZBQOSA-N 1 2 414.465 3.801 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000107579526 969317054 /nfs/dbraw/zinc/31/70/54/969317054.db2.gz VYEFNKDZLXPNLY-WEVVVXLNSA-N 1 2 419.525 3.583 20 30 HHEDLO CCCCOC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000107707591 969327232 /nfs/dbraw/zinc/32/72/32/969327232.db2.gz MWNKWRWNKAIRCI-UHFFFAOYSA-N 1 2 420.513 3.865 20 30 HHEDLO Cc1ccccc1C(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000108178153 969362746 /nfs/dbraw/zinc/36/27/46/969362746.db2.gz KJUKDZXRXAZYSH-MRXNPFEDSA-N 1 2 424.932 3.742 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000554249349 1013872748 /nfs/dbraw/zinc/87/27/48/1013872748.db2.gz FFXLANGRQVYYCU-MJGOQNOKSA-N 1 2 410.543 3.563 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000554249349 1013872755 /nfs/dbraw/zinc/87/27/55/1013872755.db2.gz FFXLANGRQVYYCU-MJGOQNOKSA-N 1 2 410.543 3.563 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)Cc1ccc(OC)cc1 ZINC000109574827 969536182 /nfs/dbraw/zinc/53/61/82/969536182.db2.gz ZUJNRNMCLFHTHH-WOJBJXKFSA-N 1 2 423.557 3.936 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)Cc1ccc(OC)cc1 ZINC000109574827 969536188 /nfs/dbraw/zinc/53/61/88/969536188.db2.gz ZUJNRNMCLFHTHH-WOJBJXKFSA-N 1 2 423.557 3.936 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3nnc(-c4ccc(C)cc4)o3)c2)n1 ZINC000110182453 969634170 /nfs/dbraw/zinc/63/41/70/969634170.db2.gz BGWWHQVSXZFFKL-UHFFFAOYSA-N 1 2 416.485 3.744 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000111018958 969760686 /nfs/dbraw/zinc/76/06/86/969760686.db2.gz UMJWBYIXFSCLFQ-UHFFFAOYSA-N 1 2 405.414 3.740 20 30 HHEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000112623345 969819107 /nfs/dbraw/zinc/81/91/07/969819107.db2.gz HXYAXIOJMXXCSA-IBGZPJMESA-N 1 2 413.543 3.501 20 30 HHEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000112623345 969819111 /nfs/dbraw/zinc/81/91/11/969819111.db2.gz HXYAXIOJMXXCSA-IBGZPJMESA-N 1 2 413.543 3.501 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000115892176 969859838 /nfs/dbraw/zinc/85/98/38/969859838.db2.gz FTCIJXGPNCXBLS-INIZCTEOSA-N 1 2 420.332 3.784 20 30 HHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000115892176 969859842 /nfs/dbraw/zinc/85/98/42/969859842.db2.gz FTCIJXGPNCXBLS-INIZCTEOSA-N 1 2 420.332 3.784 20 30 HHEDLO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000139201087 970023819 /nfs/dbraw/zinc/02/38/19/970023819.db2.gz VUANSCRWMGQGSJ-NRFANRHFSA-N 1 2 401.470 3.528 20 30 HHEDLO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000139201087 970023832 /nfs/dbraw/zinc/02/38/32/970023832.db2.gz VUANSCRWMGQGSJ-NRFANRHFSA-N 1 2 401.470 3.528 20 30 HHEDLO C[C@@H](c1nnc(Sc2ccc([N+](=O)[O-])cc2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000301112139 970753979 /nfs/dbraw/zinc/75/39/79/970753979.db2.gz XERKAOUBYNWQLH-LBPRGKRZSA-N 1 2 412.450 3.960 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@@H](O)[C@H](C)C3)sc2C1 ZINC000426161952 974275468 /nfs/dbraw/zinc/27/54/68/974275468.db2.gz PJOFJXIAOVTFGF-IIDMSEBBSA-N 1 2 403.592 3.802 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@@H](O)[C@H](C)C3)sc2C1 ZINC000426161952 974275475 /nfs/dbraw/zinc/27/54/75/974275475.db2.gz PJOFJXIAOVTFGF-IIDMSEBBSA-N 1 2 403.592 3.802 20 30 HHEDLO FC(F)(F)c1ccc(C#CC[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1 ZINC000426464062 974466718 /nfs/dbraw/zinc/46/67/18/974466718.db2.gz XRFRAGMMXIRZDB-UHFFFAOYSA-N 1 2 402.445 3.884 20 30 HHEDLO N#CCCn1ncc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1-c1ccccc1 ZINC000428713904 976003487 /nfs/dbraw/zinc/00/34/87/976003487.db2.gz UBHUZAJNJLADJQ-UHFFFAOYSA-N 1 2 415.497 3.548 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C2)nc1 ZINC000428775188 976048066 /nfs/dbraw/zinc/04/80/66/976048066.db2.gz BIVMFBHXYSCKJI-INIZCTEOSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C2)nc1 ZINC000428775188 976048075 /nfs/dbraw/zinc/04/80/75/976048075.db2.gz BIVMFBHXYSCKJI-INIZCTEOSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3Oc3ccccc3)C2)nc1 ZINC000428786240 976061243 /nfs/dbraw/zinc/06/12/43/976061243.db2.gz NRJCZKDUQGAXGS-HXUWFJFHSA-N 1 2 414.465 3.837 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccccc3Oc3ccccc3)C2)nc1 ZINC000428786240 976061264 /nfs/dbraw/zinc/06/12/64/976061264.db2.gz NRJCZKDUQGAXGS-HXUWFJFHSA-N 1 2 414.465 3.837 20 30 HHEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428795999 976072337 /nfs/dbraw/zinc/07/23/37/976072337.db2.gz ZQFVJPFEAUJIKR-KDOFPFPSSA-N 1 2 409.877 3.795 20 30 HHEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428795999 976072351 /nfs/dbraw/zinc/07/23/51/976072351.db2.gz ZQFVJPFEAUJIKR-KDOFPFPSSA-N 1 2 409.877 3.795 20 30 HHEDLO COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)c1 ZINC000428799679 976077745 /nfs/dbraw/zinc/07/77/45/976077745.db2.gz AYIPDYAPFLJGAE-LJQANCHMSA-N 1 2 420.494 3.517 20 30 HHEDLO COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)cs2)c1 ZINC000428799679 976077756 /nfs/dbraw/zinc/07/77/56/976077756.db2.gz AYIPDYAPFLJGAE-LJQANCHMSA-N 1 2 420.494 3.517 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)nc1 ZINC000428807598 976086638 /nfs/dbraw/zinc/08/66/38/976086638.db2.gz RHHBXNCLOHJTEK-CQSZACIVSA-N 1 2 424.810 3.717 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)nc1 ZINC000428807598 976086651 /nfs/dbraw/zinc/08/66/51/976086651.db2.gz RHHBXNCLOHJTEK-CQSZACIVSA-N 1 2 424.810 3.717 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(-c4ccc(Br)cc4)c[nH]3)C2)nc1 ZINC000430179341 977372932 /nfs/dbraw/zinc/37/29/32/977372932.db2.gz OFSVNWFYPKVZPZ-KRWDZBQOSA-N 1 2 424.302 3.759 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(-c4ccc(Br)cc4)c[nH]3)C2)nc1 ZINC000430179341 977372937 /nfs/dbraw/zinc/37/29/37/977372937.db2.gz OFSVNWFYPKVZPZ-KRWDZBQOSA-N 1 2 424.302 3.759 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1Cl ZINC000430251401 977420691 /nfs/dbraw/zinc/42/06/91/977420691.db2.gz DBWJTIGOMLBZPI-SPEDKVCISA-N 1 2 419.953 3.554 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)ccc1Cl ZINC000430251401 977420695 /nfs/dbraw/zinc/42/06/95/977420695.db2.gz DBWJTIGOMLBZPI-SPEDKVCISA-N 1 2 419.953 3.554 20 30 HHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000430260232 977427879 /nfs/dbraw/zinc/42/78/79/977427879.db2.gz GHIKFQMYPFDAPK-OAQYLSRUSA-N 1 2 403.461 3.621 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000430270290 977434807 /nfs/dbraw/zinc/43/48/07/977434807.db2.gz UTVQTCZZRDBBLE-IBPRQYQWSA-N 1 2 413.562 3.597 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000430270290 977434811 /nfs/dbraw/zinc/43/48/11/977434811.db2.gz UTVQTCZZRDBBLE-IBPRQYQWSA-N 1 2 413.562 3.597 20 30 HHEDLO C=CCN1C(=O)N(CCc2[nH+]ccn2Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1 ZINC000430803373 977766774 /nfs/dbraw/zinc/76/67/74/977766774.db2.gz SXWLSBPXRNNLNJ-JOCHJYFZSA-N 1 2 414.509 3.535 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430947683 977908031 /nfs/dbraw/zinc/90/80/31/977908031.db2.gz BYCVCNUMAMRTTQ-HXUWFJFHSA-N 1 2 409.555 3.964 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430947683 977908045 /nfs/dbraw/zinc/90/80/45/977908045.db2.gz BYCVCNUMAMRTTQ-HXUWFJFHSA-N 1 2 409.555 3.964 20 30 HHEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)oc1C ZINC000433193141 979133019 /nfs/dbraw/zinc/13/30/19/979133019.db2.gz OZLVNKNZBXRYJO-LIRRHRJNSA-N 1 2 401.894 3.972 20 30 HHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434494472 980210835 /nfs/dbraw/zinc/21/08/35/980210835.db2.gz ONPAUSSHOZQVOV-UHFFFAOYSA-N 1 2 403.461 3.643 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434687121 980339794 /nfs/dbraw/zinc/33/97/94/980339794.db2.gz WPSQRSPKRDYYMV-SFHVURJKSA-N 1 2 423.536 3.873 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687121 980339798 /nfs/dbraw/zinc/33/97/98/980339798.db2.gz WPSQRSPKRDYYMV-SFHVURJKSA-N 1 2 423.536 3.873 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c(C#N)c1C ZINC000436363812 981326515 /nfs/dbraw/zinc/32/65/15/981326515.db2.gz NKOKAROGFOPMKH-UHFFFAOYSA-N 1 2 410.301 3.898 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c(C#N)c1C ZINC000436363812 981326522 /nfs/dbraw/zinc/32/65/22/981326522.db2.gz NKOKAROGFOPMKH-UHFFFAOYSA-N 1 2 410.301 3.898 20 30 HHEDLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000437146862 981796293 /nfs/dbraw/zinc/79/62/93/981796293.db2.gz QSGDKZCUUQCOTM-KBMIEXCESA-N 1 2 409.493 3.695 20 30 HHEDLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000437146862 981796296 /nfs/dbraw/zinc/79/62/96/981796296.db2.gz QSGDKZCUUQCOTM-KBMIEXCESA-N 1 2 409.493 3.695 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3cccc4ccccc43)CC2)cc1 ZINC000437224744 981881028 /nfs/dbraw/zinc/88/10/28/981881028.db2.gz GNZSFTUJEHWHQC-UHFFFAOYSA-N 1 2 405.523 3.608 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3cccc4ccccc43)CC2)cc1 ZINC000437224744 981881030 /nfs/dbraw/zinc/88/10/30/981881030.db2.gz GNZSFTUJEHWHQC-UHFFFAOYSA-N 1 2 405.523 3.608 20 30 HHEDLO C=CCN(Cc1c[nH+]cn1Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000437602830 982224571 /nfs/dbraw/zinc/22/45/71/982224571.db2.gz NPBWILPVJJLYMJ-UHFFFAOYSA-N 1 2 401.919 3.962 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000437908514 982455552 /nfs/dbraw/zinc/45/55/52/982455552.db2.gz WBKMRWRLKFHHBE-UHFFFAOYSA-N 1 2 421.545 3.768 20 30 HHEDLO C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@@H+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000460812594 982565114 /nfs/dbraw/zinc/56/51/14/982565114.db2.gz JZWSOIHPSXQDBF-INIZCTEOSA-N 1 2 416.595 3.608 20 30 HHEDLO C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@H+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000460812594 982565119 /nfs/dbraw/zinc/56/51/19/982565119.db2.gz JZWSOIHPSXQDBF-INIZCTEOSA-N 1 2 416.595 3.608 20 30 HHEDLO CCC(CC)[C@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)[NH+]1CCOCC1 ZINC000460991007 982711936 /nfs/dbraw/zinc/71/19/36/982711936.db2.gz JESLODVPNSVTGG-YDPRHXJPSA-N 1 2 413.562 3.501 20 30 HHEDLO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000439072937 983237756 /nfs/dbraw/zinc/23/77/56/983237756.db2.gz AWGGFNMDDFMMRS-UHFFFAOYSA-N 1 2 417.600 3.814 20 30 HHEDLO CC(C)(C)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000439072937 983237758 /nfs/dbraw/zinc/23/77/58/983237758.db2.gz AWGGFNMDDFMMRS-UHFFFAOYSA-N 1 2 417.600 3.814 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000439355778 983377496 /nfs/dbraw/zinc/37/74/96/983377496.db2.gz JOCFVJLQXAQDGH-SFHVURJKSA-N 1 2 423.513 3.612 20 30 HHEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3c(C#N)cnc4ccccc43)CC2)cs1 ZINC000439601714 983467035 /nfs/dbraw/zinc/46/70/35/983467035.db2.gz BZEUFLKQNMSJJA-MRXNPFEDSA-N 1 2 407.543 3.983 20 30 HHEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3c(C#N)cnc4ccccc43)CC2)cs1 ZINC000439601714 983467036 /nfs/dbraw/zinc/46/70/36/983467036.db2.gz BZEUFLKQNMSJJA-MRXNPFEDSA-N 1 2 407.543 3.983 20 30 HHEDLO CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C#N)c4ccccc4n3)CC2)cs1 ZINC000439602741 983467487 /nfs/dbraw/zinc/46/74/87/983467487.db2.gz SKVJIZGPSZYLQC-MRXNPFEDSA-N 1 2 407.543 3.983 20 30 HHEDLO CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc(C#N)c4ccccc4n3)CC2)cs1 ZINC000439602741 983467492 /nfs/dbraw/zinc/46/74/92/983467492.db2.gz SKVJIZGPSZYLQC-MRXNPFEDSA-N 1 2 407.543 3.983 20 30 HHEDLO N#CCC[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000439667293 983492322 /nfs/dbraw/zinc/49/23/22/983492322.db2.gz AIQVTOYBSAJBAO-NRFANRHFSA-N 1 2 401.470 3.687 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000440988579 984013493 /nfs/dbraw/zinc/01/34/93/984013493.db2.gz MNXGZCIPVKZMJC-GUBQMWQZSA-N 1 2 408.468 3.868 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000440988579 984013502 /nfs/dbraw/zinc/01/35/02/984013502.db2.gz MNXGZCIPVKZMJC-GUBQMWQZSA-N 1 2 408.468 3.868 20 30 HHEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC(F)F ZINC000441183919 984105094 /nfs/dbraw/zinc/10/50/94/984105094.db2.gz TYBKUQGRKGTFJR-UHFFFAOYSA-N 1 2 400.385 3.850 20 30 HHEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC(F)F ZINC000441183919 984105098 /nfs/dbraw/zinc/10/50/98/984105098.db2.gz TYBKUQGRKGTFJR-UHFFFAOYSA-N 1 2 400.385 3.850 20 30 HHEDLO COc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000441245962 984135883 /nfs/dbraw/zinc/13/58/83/984135883.db2.gz OEXQSEKCLTZSHL-UHFFFAOYSA-N 1 2 402.454 3.712 20 30 HHEDLO N#Cc1cccnc1N1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443439486 985598350 /nfs/dbraw/zinc/59/83/50/985598350.db2.gz SXGQYNMBQMJSAZ-UHFFFAOYSA-N 1 2 412.266 3.730 20 30 HHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000443660314 985860626 /nfs/dbraw/zinc/86/06/26/985860626.db2.gz RBDQCZGDDWORHG-WMLDXEAASA-N 1 2 410.474 3.885 20 30 HHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000443660314 985860639 /nfs/dbraw/zinc/86/06/39/985860639.db2.gz RBDQCZGDDWORHG-WMLDXEAASA-N 1 2 410.474 3.885 20 30 HHEDLO COC(=O)c1ccccc1CC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000463231077 986198780 /nfs/dbraw/zinc/19/87/80/986198780.db2.gz VJRDNVOGXNBQPO-MRXNPFEDSA-N 1 2 423.513 3.836 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463431818 986406068 /nfs/dbraw/zinc/40/60/68/986406068.db2.gz CQAIVCQALUSZSG-OSPHWJPCSA-N 1 2 423.582 3.852 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463431818 986406071 /nfs/dbraw/zinc/40/60/71/986406071.db2.gz CQAIVCQALUSZSG-OSPHWJPCSA-N 1 2 423.582 3.852 20 30 HHEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000444599299 986786732 /nfs/dbraw/zinc/78/67/32/986786732.db2.gz QXXUSCCMBOJICW-UHFFFAOYSA-N 1 2 401.935 3.505 20 30 HHEDLO N#CC(CC[NH+]1CCN(C(=O)c2ccccn2)CC1)(c1ccccc1)c1ccccc1 ZINC000444636423 986823593 /nfs/dbraw/zinc/82/35/93/986823593.db2.gz GRTVNJCSWZYRMT-UHFFFAOYSA-N 1 2 410.521 3.739 20 30 HHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(CCC#N)Cc2ccccn2)C[C@@H](C)O1 ZINC000444643827 986829543 /nfs/dbraw/zinc/82/95/43/986829543.db2.gz UPJQRYMYGKXXFC-RTBURBONSA-N 1 2 407.518 3.639 20 30 HHEDLO C=CCc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc(OC)c1OC ZINC000469140779 986861846 /nfs/dbraw/zinc/86/18/46/986861846.db2.gz BRESVZRCIBICPP-UHFFFAOYSA-N 1 2 409.530 3.985 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000444713456 986885348 /nfs/dbraw/zinc/88/53/48/986885348.db2.gz AQBICMDEBWCFMX-KBXCAEBGSA-N 1 2 417.859 3.530 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1Cl ZINC000444713456 986885366 /nfs/dbraw/zinc/88/53/66/986885366.db2.gz AQBICMDEBWCFMX-KBXCAEBGSA-N 1 2 417.859 3.530 20 30 HHEDLO C=CC[C@H]1[N@H+](CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CCCC1(C)C ZINC000444778572 986935426 /nfs/dbraw/zinc/93/54/26/986935426.db2.gz JEUMSFZQAGXVKF-WIYYLYMNSA-N 1 2 406.592 3.714 20 30 HHEDLO C=CC[C@H]1[N@@H+](CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CCCC1(C)C ZINC000444778572 986935434 /nfs/dbraw/zinc/93/54/34/986935434.db2.gz JEUMSFZQAGXVKF-WIYYLYMNSA-N 1 2 406.592 3.714 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000469296187 987012047 /nfs/dbraw/zinc/01/20/47/987012047.db2.gz IWYAGVMGGLEHPX-WIYYLYMNSA-N 1 2 408.408 3.667 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1ccc(F)c(F)c1 ZINC000469296187 987012058 /nfs/dbraw/zinc/01/20/58/987012058.db2.gz IWYAGVMGGLEHPX-WIYYLYMNSA-N 1 2 408.408 3.667 20 30 HHEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC(c4[nH+]cc5n4CCCC5)CC3)on2)c1 ZINC000469356610 987057916 /nfs/dbraw/zinc/05/79/16/987057916.db2.gz PKVKNPMXVKOWLG-UHFFFAOYSA-N 1 2 401.470 3.766 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469428142 987115674 /nfs/dbraw/zinc/11/56/74/987115674.db2.gz MLVCJRGSHCPENC-LJQANCHMSA-N 1 2 401.514 3.859 20 30 HHEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](c2ccsc2)O1 ZINC000470218087 988145817 /nfs/dbraw/zinc/14/58/17/988145817.db2.gz LLEFFQBGZMSARZ-GUYCJALGSA-N 1 2 401.557 3.961 20 30 HHEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](c2ccsc2)O1 ZINC000470218087 988145823 /nfs/dbraw/zinc/14/58/23/988145823.db2.gz LLEFFQBGZMSARZ-GUYCJALGSA-N 1 2 401.557 3.961 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Br)cc4cccnc43)CC2)nc1 ZINC000470360571 988325931 /nfs/dbraw/zinc/32/59/31/988325931.db2.gz CWEZYEDBCRNROS-UHFFFAOYSA-N 1 2 408.303 3.586 20 30 HHEDLO COc1ccc([C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2Cl)cc1 ZINC000470544873 988553601 /nfs/dbraw/zinc/55/36/01/988553601.db2.gz ACLPFCQAMPROTM-QFIPXVFZSA-N 1 2 410.905 3.684 20 30 HHEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000464495212 988667820 /nfs/dbraw/zinc/66/78/20/988667820.db2.gz MWKFQXZFTDMGJY-QZTJIDSGSA-N 1 2 417.575 3.931 20 30 HHEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000464495212 988667824 /nfs/dbraw/zinc/66/78/24/988667824.db2.gz MWKFQXZFTDMGJY-QZTJIDSGSA-N 1 2 417.575 3.931 20 30 HHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000464801547 989030107 /nfs/dbraw/zinc/03/01/07/989030107.db2.gz HCHJKYNHTRDAQJ-OAQYLSRUSA-N 1 2 405.498 3.596 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000470992462 989056748 /nfs/dbraw/zinc/05/67/48/989056748.db2.gz HYJBSWDSPJKRPR-MSOLQXFVSA-N 1 2 416.543 3.543 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000470992462 989056761 /nfs/dbraw/zinc/05/67/61/989056761.db2.gz HYJBSWDSPJKRPR-MSOLQXFVSA-N 1 2 416.543 3.543 20 30 HHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000471526786 989726695 /nfs/dbraw/zinc/72/66/95/989726695.db2.gz AGOGPUWANOVCEZ-UHFFFAOYSA-N 1 2 420.557 3.877 20 30 HHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)s1 ZINC000466609104 991926019 /nfs/dbraw/zinc/92/60/19/991926019.db2.gz GRJXOBOXZDHHKS-UHFFFAOYSA-N 1 2 413.547 3.738 20 30 HHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(I)c(Br)cc1F ZINC000467484247 992773194 /nfs/dbraw/zinc/77/31/94/992773194.db2.gz GLSLXXWBDQZXGY-SECBINFHSA-N 1 2 411.056 3.975 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000473174453 994041450 /nfs/dbraw/zinc/04/14/50/994041450.db2.gz NVTOCNJSOCYOLB-HNNXBMFYSA-N 1 2 419.616 3.814 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCSC2(CCOCC2)C1 ZINC000473174453 994041454 /nfs/dbraw/zinc/04/14/54/994041454.db2.gz NVTOCNJSOCYOLB-HNNXBMFYSA-N 1 2 419.616 3.814 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCSC2(CCOCC2)C1 ZINC000473174454 994041558 /nfs/dbraw/zinc/04/15/58/994041558.db2.gz NVTOCNJSOCYOLB-OAHLLOKOSA-N 1 2 419.616 3.814 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCSC2(CCOCC2)C1 ZINC000473174454 994041563 /nfs/dbraw/zinc/04/15/63/994041563.db2.gz NVTOCNJSOCYOLB-OAHLLOKOSA-N 1 2 419.616 3.814 20 30 HHEDLO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481416071 994249958 /nfs/dbraw/zinc/24/99/58/994249958.db2.gz HCRSOIJADCXJCA-RBZFPXEDSA-N 1 2 411.868 3.790 20 30 HHEDLO C=C(C)[C@H]([NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C)c1ccc(F)c(F)c1 ZINC000481583625 994424842 /nfs/dbraw/zinc/42/48/42/994424842.db2.gz DFKPAMIDNQJAOS-NRFANRHFSA-N 1 2 421.875 3.888 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)c1 ZINC000473988844 994976757 /nfs/dbraw/zinc/97/67/57/994976757.db2.gz WJHPVBRXVLTBBV-UHFFFAOYSA-N 1 2 414.469 3.945 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cnccc2C)c1C#N ZINC000482995584 995908107 /nfs/dbraw/zinc/90/81/07/995908107.db2.gz MHRZTFAABRXQIE-UHFFFAOYSA-N 1 2 401.514 3.799 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)Cc2cnccc2C)c1C#N ZINC000482995584 995908112 /nfs/dbraw/zinc/90/81/12/995908112.db2.gz MHRZTFAABRXQIE-UHFFFAOYSA-N 1 2 401.514 3.799 20 30 HHEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000475170514 995968778 /nfs/dbraw/zinc/96/87/78/995968778.db2.gz BWYQNIPFIYMDNC-QHCPKHFHSA-N 1 2 400.494 3.947 20 30 HHEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000475258765 996029790 /nfs/dbraw/zinc/02/97/90/996029790.db2.gz MATJVEYSUZEZEP-HXUWFJFHSA-N 1 2 419.872 3.527 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475400551 996115571 /nfs/dbraw/zinc/11/55/71/996115571.db2.gz OXMGORJAWLELNY-JTHBVZDNSA-N 1 2 406.505 3.861 20 30 HHEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000475404096 996118078 /nfs/dbraw/zinc/11/80/78/996118078.db2.gz YCAMVSZRVKHNTB-KXBFYZLASA-N 1 2 414.550 3.551 20 30 HHEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000475404096 996118081 /nfs/dbraw/zinc/11/80/81/996118081.db2.gz YCAMVSZRVKHNTB-KXBFYZLASA-N 1 2 414.550 3.551 20 30 HHEDLO C=CCN(CC1CCCCC1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000483884526 996447870 /nfs/dbraw/zinc/44/78/70/996447870.db2.gz LHXDPMNIGIHWDD-UHFFFAOYSA-N 1 2 415.578 3.676 20 30 HHEDLO CC(C)(C#N)CCCSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000475943107 996489299 /nfs/dbraw/zinc/48/92/99/996489299.db2.gz VQRBJBJFKYIICR-UHFFFAOYSA-N 1 2 417.554 3.838 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)C2 ZINC000476666767 997205940 /nfs/dbraw/zinc/20/59/40/997205940.db2.gz VYIQFPOEYVTRIK-AWEZNQCLSA-N 1 2 408.893 3.987 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)CC2 ZINC000476666767 997205953 /nfs/dbraw/zinc/20/59/53/997205953.db2.gz VYIQFPOEYVTRIK-AWEZNQCLSA-N 1 2 408.893 3.987 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485694884 998156576 /nfs/dbraw/zinc/15/65/76/998156576.db2.gz POZQWQXATXPHCM-GGAORHGYSA-N 1 2 413.468 3.947 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485694884 998156585 /nfs/dbraw/zinc/15/65/85/998156585.db2.gz POZQWQXATXPHCM-GGAORHGYSA-N 1 2 413.468 3.947 20 30 HHEDLO C=C(C)[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000477737798 998474650 /nfs/dbraw/zinc/47/46/50/998474650.db2.gz GOPWFTIHOLLRQH-JOCHJYFZSA-N 1 2 410.468 3.981 20 30 HHEDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)c1 ZINC000486251851 998676326 /nfs/dbraw/zinc/67/63/26/998676326.db2.gz OVIIVZLAHZCNTE-GOSISDBHSA-N 1 2 409.559 3.545 20 30 HHEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000486452552 998776201 /nfs/dbraw/zinc/77/62/01/998776201.db2.gz QMDJLNHIXKEJSF-JOCHJYFZSA-N 1 2 417.469 3.809 20 30 HHEDLO N#Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000487901277 999309904 /nfs/dbraw/zinc/30/99/04/999309904.db2.gz VJKVNURAMHJRDZ-UHFFFAOYSA-N 1 2 400.280 3.506 20 30 HHEDLO C=CC[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000487924842 999317823 /nfs/dbraw/zinc/31/78/23/999317823.db2.gz ZLLIKQFGTMNFPE-MRXNPFEDSA-N 1 2 421.455 3.875 20 30 HHEDLO C=CC[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000487924842 999317829 /nfs/dbraw/zinc/31/78/29/999317829.db2.gz ZLLIKQFGTMNFPE-MRXNPFEDSA-N 1 2 421.455 3.875 20 30 HHEDLO COc1ccc(OC)c(C[NH+]2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)c1 ZINC000488142567 999391331 /nfs/dbraw/zinc/39/13/31/999391331.db2.gz ISDCOMTVEIMDSC-UHFFFAOYSA-N 1 2 424.451 3.724 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479774888 999584798 /nfs/dbraw/zinc/58/47/98/999584798.db2.gz CGYUPDARTQYOKI-CTNGQTDRSA-N 1 2 401.457 3.774 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000479774888 999584802 /nfs/dbraw/zinc/58/48/02/999584802.db2.gz CGYUPDARTQYOKI-CTNGQTDRSA-N 1 2 401.457 3.774 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3ccc(Br)cc3C#N)CC2)no1 ZINC000480225093 999749955 /nfs/dbraw/zinc/74/99/55/999749955.db2.gz MHGUDCARDTWANS-INIZCTEOSA-N 1 2 404.312 3.503 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc(Br)cc3C#N)CC2)no1 ZINC000480225093 999749958 /nfs/dbraw/zinc/74/99/58/999749958.db2.gz MHGUDCARDTWANS-INIZCTEOSA-N 1 2 404.312 3.503 20 30 HHEDLO CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000480295483 999764921 /nfs/dbraw/zinc/76/49/21/999764921.db2.gz WKPGSWZFURBYKR-LJQANCHMSA-N 1 2 422.529 3.712 20 30 HHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000480366962 999781607 /nfs/dbraw/zinc/78/16/07/999781607.db2.gz NPOKNOLIWRURIC-XMMPIXPASA-N 1 2 420.557 3.627 20 30 HHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000480366962 999781608 /nfs/dbraw/zinc/78/16/08/999781608.db2.gz NPOKNOLIWRURIC-XMMPIXPASA-N 1 2 420.557 3.627 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000489534382 999786410 /nfs/dbraw/zinc/78/64/10/999786410.db2.gz CCODAPFRWONQID-PMACEKPBSA-N 1 2 400.885 3.592 20 30 HHEDLO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000489534382 999786412 /nfs/dbraw/zinc/78/64/12/999786412.db2.gz CCODAPFRWONQID-PMACEKPBSA-N 1 2 400.885 3.592 20 30 HHEDLO Cc1cc(C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC(C)C)nc(N2CCCCC2)n1 ZINC000490996818 1000031736 /nfs/dbraw/zinc/03/17/36/1000031736.db2.gz RJGVVGAYXXMAIP-UHFFFAOYSA-N 1 2 420.561 3.744 20 30 HHEDLO Cc1cc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC(C)C)nc(N2CCCCC2)n1 ZINC000490996818 1000031738 /nfs/dbraw/zinc/03/17/38/1000031738.db2.gz RJGVVGAYXXMAIP-UHFFFAOYSA-N 1 2 420.561 3.744 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000492702803 1000140246 /nfs/dbraw/zinc/14/02/46/1000140246.db2.gz LICFFOGCRMSLKA-UHFFFAOYSA-N 1 2 401.919 3.776 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](CCO)Cc2cccc(F)c2)ccc1Cl ZINC000494251241 1000389183 /nfs/dbraw/zinc/38/91/83/1000389183.db2.gz OPCCGRMDRKJPNS-UHFFFAOYSA-N 1 2 403.885 3.529 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](CCO)Cc2cccc(F)c2)ccc1Cl ZINC000494251241 1000389185 /nfs/dbraw/zinc/38/91/85/1000389185.db2.gz OPCCGRMDRKJPNS-UHFFFAOYSA-N 1 2 403.885 3.529 20 30 HHEDLO C[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccc(C#N)cc1 ZINC000504839322 1000395671 /nfs/dbraw/zinc/39/56/71/1000395671.db2.gz YPOMXUGPZXHBEB-UHFFFAOYSA-N 1 2 404.495 3.943 20 30 HHEDLO C[N@@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)Cc1ccc(C#N)cc1 ZINC000504839322 1000395675 /nfs/dbraw/zinc/39/56/75/1000395675.db2.gz YPOMXUGPZXHBEB-UHFFFAOYSA-N 1 2 404.495 3.943 20 30 HHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505145319 1000575965 /nfs/dbraw/zinc/57/59/65/1000575965.db2.gz LBNCOPNRJYMZCU-LJQANCHMSA-N 1 2 419.529 3.606 20 30 HHEDLO C[C@@H](NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000505363904 1000724955 /nfs/dbraw/zinc/72/49/55/1000724955.db2.gz INROVBPNRFHVIM-QGZVFWFLSA-N 1 2 412.921 3.679 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000505593845 1000925627 /nfs/dbraw/zinc/92/56/27/1000925627.db2.gz OIFQUBTXIJIKJF-NHCUHLMSSA-N 1 2 413.468 3.584 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000505593845 1000925633 /nfs/dbraw/zinc/92/56/33/1000925633.db2.gz OIFQUBTXIJIKJF-NHCUHLMSSA-N 1 2 413.468 3.584 20 30 HHEDLO C=CCOc1cccc(C[N@H+](CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1 ZINC000505665447 1000963811 /nfs/dbraw/zinc/96/38/11/1000963811.db2.gz VRNPDDQOTQWYPJ-UHFFFAOYSA-N 1 2 409.486 3.940 20 30 HHEDLO C=CCOc1cccc(C[N@@H+](CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)c1 ZINC000505665447 1000963819 /nfs/dbraw/zinc/96/38/19/1000963819.db2.gz VRNPDDQOTQWYPJ-UHFFFAOYSA-N 1 2 409.486 3.940 20 30 HHEDLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000506031797 1001177349 /nfs/dbraw/zinc/17/73/49/1001177349.db2.gz NEFZQQXPCQZMSA-HSZRJFAPSA-N 1 2 416.525 3.999 20 30 HHEDLO C=CCNc1ncc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000497977324 1001587983 /nfs/dbraw/zinc/58/79/83/1001587983.db2.gz ZAJBXQCDGVBGBD-FUHWJXTLSA-N 1 2 406.502 3.973 20 30 HHEDLO C=CCNc1ncc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000497977324 1001587986 /nfs/dbraw/zinc/58/79/86/1001587986.db2.gz ZAJBXQCDGVBGBD-FUHWJXTLSA-N 1 2 406.502 3.973 20 30 HHEDLO N#Cc1ccccc1COc1cccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000498138591 1001659077 /nfs/dbraw/zinc/65/90/77/1001659077.db2.gz LUSJNHAROIFJIH-UHFFFAOYSA-N 1 2 400.482 3.643 20 30 HHEDLO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnn1-c1ccc(C)cc1 ZINC000507396058 1002046964 /nfs/dbraw/zinc/04/69/64/1002046964.db2.gz BFMLIDSBZHFEDC-HTAPYJJXSA-N 1 2 414.513 3.602 20 30 HHEDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)s1 ZINC000507447177 1002076293 /nfs/dbraw/zinc/07/62/93/1002076293.db2.gz HDSNEGIQHOHGLO-RISCZKNCSA-N 1 2 405.321 3.623 20 30 HHEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000498924601 1002319847 /nfs/dbraw/zinc/31/98/47/1002319847.db2.gz VVSJHRAWQKXWNW-UHFFFAOYSA-N 1 2 417.340 3.664 20 30 HHEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000498930229 1002328901 /nfs/dbraw/zinc/32/89/01/1002328901.db2.gz TXCAUPYSXPOMSE-UHFFFAOYSA-N 1 2 417.340 3.664 20 30 HHEDLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507819143 1002365465 /nfs/dbraw/zinc/36/54/65/1002365465.db2.gz RLQLBOPSCMPQFQ-QGZVFWFLSA-N 1 2 421.497 3.524 20 30 HHEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000507837780 1002378685 /nfs/dbraw/zinc/37/86/85/1002378685.db2.gz OWAXAKVUCISSFK-OAHLLOKOSA-N 1 2 408.456 3.515 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000507861188 1002397360 /nfs/dbraw/zinc/39/73/60/1002397360.db2.gz RSGWZSQAGBFIRC-HXUWFJFHSA-N 1 2 422.367 3.867 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000507861188 1002397351 /nfs/dbraw/zinc/39/73/51/1002397351.db2.gz RSGWZSQAGBFIRC-HXUWFJFHSA-N 1 2 422.367 3.867 20 30 HHEDLO CN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1nc2ccccc2s1 ZINC000507865670 1002400381 /nfs/dbraw/zinc/40/03/81/1002400381.db2.gz UPSXVAFMWCYBLV-UHFFFAOYSA-N 1 2 406.511 3.674 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499248169 1002644305 /nfs/dbraw/zinc/64/43/05/1002644305.db2.gz ZUEBKFNAJWLKFE-KNQAVFIVSA-N 1 2 419.468 3.830 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499248169 1002644309 /nfs/dbraw/zinc/64/43/09/1002644309.db2.gz ZUEBKFNAJWLKFE-KNQAVFIVSA-N 1 2 419.468 3.830 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499248171 1002644578 /nfs/dbraw/zinc/64/45/78/1002644578.db2.gz ZUEBKFNAJWLKFE-UGKGYDQZSA-N 1 2 419.468 3.830 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000499248171 1002644586 /nfs/dbraw/zinc/64/45/86/1002644586.db2.gz ZUEBKFNAJWLKFE-UGKGYDQZSA-N 1 2 419.468 3.830 20 30 HHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)Cc2cc(C#N)ccc2F)cc1 ZINC000508354566 1002854641 /nfs/dbraw/zinc/85/46/41/1002854641.db2.gz LXSMEXGOYNVPKL-UHFFFAOYSA-N 1 2 411.458 3.638 20 30 HHEDLO C=CCn1c(-c2ccccc2F)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508479733 1002963943 /nfs/dbraw/zinc/96/39/43/1002963943.db2.gz BKWSBAJQWGBMCV-UHFFFAOYSA-N 1 2 421.524 3.819 20 30 HHEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000499600681 1002975226 /nfs/dbraw/zinc/97/52/26/1002975226.db2.gz POXRYYVKYYLGJS-KRWDZBQOSA-N 1 2 409.324 3.696 20 30 HHEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000499600681 1002975235 /nfs/dbraw/zinc/97/52/35/1002975235.db2.gz POXRYYVKYYLGJS-KRWDZBQOSA-N 1 2 409.324 3.696 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499617548 1002987047 /nfs/dbraw/zinc/98/70/47/1002987047.db2.gz FCIFKPLIOUKQPK-QGZVFWFLSA-N 1 2 414.472 3.536 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499617548 1002987051 /nfs/dbraw/zinc/98/70/51/1002987051.db2.gz FCIFKPLIOUKQPK-QGZVFWFLSA-N 1 2 414.472 3.536 20 30 HHEDLO CCCCOc1cccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000499647343 1003010780 /nfs/dbraw/zinc/01/07/80/1003010780.db2.gz QDEDSNUGGGAQSJ-UHFFFAOYSA-N 1 2 406.530 3.765 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC(C)C ZINC000508600709 1003057137 /nfs/dbraw/zinc/05/71/37/1003057137.db2.gz RFBFDAQYDFDYHX-UHFFFAOYSA-N 1 2 422.485 3.924 20 30 HHEDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000499959358 1003279416 /nfs/dbraw/zinc/27/94/16/1003279416.db2.gz APTRHRIBZCTSQD-SCLBCKFNSA-N 1 2 407.848 3.577 20 30 HHEDLO C=CCn1c(COCC)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000508888714 1003315943 /nfs/dbraw/zinc/31/59/43/1003315943.db2.gz PCTACHSINHRMRH-LJQANCHMSA-N 1 2 405.493 3.552 20 30 HHEDLO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000508918623 1003356951 /nfs/dbraw/zinc/35/69/51/1003356951.db2.gz NMCOIFKMYXVSMU-NRFANRHFSA-N 1 2 406.534 3.625 20 30 HHEDLO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508932688 1003378494 /nfs/dbraw/zinc/37/84/94/1003378494.db2.gz UTOLXMSLZFDNRH-QFBILLFUSA-N 1 2 401.942 3.537 20 30 HHEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(F)(c3ccccc3OC(F)(F)F)CC2)cc1 ZINC000500120951 1003482596 /nfs/dbraw/zinc/48/25/96/1003482596.db2.gz DZBNUGJAOVBHDR-GOSISDBHSA-N 1 2 421.394 3.944 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000509097972 1003550506 /nfs/dbraw/zinc/55/05/06/1003550506.db2.gz RZBAWROYHQWJDY-UHFFFAOYSA-N 1 2 402.401 3.780 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000509097972 1003550500 /nfs/dbraw/zinc/55/05/00/1003550500.db2.gz RZBAWROYHQWJDY-UHFFFAOYSA-N 1 2 402.401 3.780 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000509242494 1003649212 /nfs/dbraw/zinc/64/92/12/1003649212.db2.gz AWZSQLJVJFJZBR-KNKQGSTJSA-N 1 2 413.562 3.573 20 30 HHEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000500867362 1004014652 /nfs/dbraw/zinc/01/46/52/1004014652.db2.gz NPOFTEFYLNSPPT-HSZRJFAPSA-N 1 2 424.497 3.989 20 30 HHEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000509802306 1004108231 /nfs/dbraw/zinc/10/82/31/1004108231.db2.gz GGTAJKIWLFFRHO-HNNXBMFYSA-N 1 2 401.894 3.958 20 30 HHEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000509802306 1004108236 /nfs/dbraw/zinc/10/82/36/1004108236.db2.gz GGTAJKIWLFFRHO-HNNXBMFYSA-N 1 2 401.894 3.958 20 30 HHEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CCCCC1 ZINC000501112660 1004212611 /nfs/dbraw/zinc/21/26/11/1004212611.db2.gz MWYHFCGEFQOZMZ-IBGZPJMESA-N 1 2 419.573 3.798 20 30 HHEDLO N#CCCCOc1cccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000512328055 1004220792 /nfs/dbraw/zinc/22/07/92/1004220792.db2.gz JUGHWUKREAXKBK-UHFFFAOYSA-N 1 2 417.469 3.847 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000512525843 1004360646 /nfs/dbraw/zinc/36/06/46/1004360646.db2.gz ABJCYVGORMNASW-IBGZPJMESA-N 1 2 423.561 3.996 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000512525843 1004360650 /nfs/dbraw/zinc/36/06/50/1004360650.db2.gz ABJCYVGORMNASW-IBGZPJMESA-N 1 2 423.561 3.996 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000512527090 1004361298 /nfs/dbraw/zinc/36/12/98/1004361298.db2.gz NNLQAJZOZVYKIN-IBGZPJMESA-N 1 2 423.561 3.996 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000512527090 1004361308 /nfs/dbraw/zinc/36/13/08/1004361308.db2.gz NNLQAJZOZVYKIN-IBGZPJMESA-N 1 2 423.561 3.996 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512551547 1004379105 /nfs/dbraw/zinc/37/91/05/1004379105.db2.gz FERYTNADXGEYAZ-KDOFPFPSSA-N 1 2 415.481 3.656 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512551547 1004379115 /nfs/dbraw/zinc/37/91/15/1004379115.db2.gz FERYTNADXGEYAZ-KDOFPFPSSA-N 1 2 415.481 3.656 20 30 HHEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000501407439 1004398773 /nfs/dbraw/zinc/39/87/73/1004398773.db2.gz DBTLYUPVDZYRAZ-KRWDZBQOSA-N 1 2 413.275 3.536 20 30 HHEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000501407439 1004398779 /nfs/dbraw/zinc/39/87/79/1004398779.db2.gz DBTLYUPVDZYRAZ-KRWDZBQOSA-N 1 2 413.275 3.536 20 30 HHEDLO C=CCc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc(OC)c1OC ZINC000501949435 1004825865 /nfs/dbraw/zinc/82/58/65/1004825865.db2.gz RFCGCVANDXVGFM-UHFFFAOYSA-N 1 2 407.470 3.960 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513406761 1004948857 /nfs/dbraw/zinc/94/88/57/1004948857.db2.gz XEXWJNRJCHVIKJ-HNNXBMFYSA-N 1 2 412.534 3.787 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513406761 1004948864 /nfs/dbraw/zinc/94/88/64/1004948864.db2.gz XEXWJNRJCHVIKJ-HNNXBMFYSA-N 1 2 412.534 3.787 20 30 HHEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)cc1 ZINC000502307612 1005003082 /nfs/dbraw/zinc/00/30/82/1005003082.db2.gz XCEDEAKTOHMFEV-UHFFFAOYSA-N 1 2 401.445 3.882 20 30 HHEDLO COc1cccc(-n2nc(C)c([C@@H]3COCC[N@@H+]3CCCSCC#N)c2C)c1 ZINC000502373573 1005042753 /nfs/dbraw/zinc/04/27/53/1005042753.db2.gz HTAYDIPHIAAVLY-FQEVSTJZSA-N 1 2 400.548 3.518 20 30 HHEDLO COc1cccc(-n2nc(C)c([C@@H]3COCC[N@H+]3CCCSCC#N)c2C)c1 ZINC000502373573 1005042760 /nfs/dbraw/zinc/04/27/60/1005042760.db2.gz HTAYDIPHIAAVLY-FQEVSTJZSA-N 1 2 400.548 3.518 20 30 HHEDLO COc1cccc(-n2nc(C)c([C@H]3COCC[N@@H+]3CCCSCC#N)c2C)c1 ZINC000502373574 1005042860 /nfs/dbraw/zinc/04/28/60/1005042860.db2.gz HTAYDIPHIAAVLY-HXUWFJFHSA-N 1 2 400.548 3.518 20 30 HHEDLO COc1cccc(-n2nc(C)c([C@H]3COCC[N@H+]3CCCSCC#N)c2C)c1 ZINC000502373574 1005042863 /nfs/dbraw/zinc/04/28/63/1005042863.db2.gz HTAYDIPHIAAVLY-HXUWFJFHSA-N 1 2 400.548 3.518 20 30 HHEDLO Cc1cc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(-c2ccccc2F)n1 ZINC000502531788 1005105747 /nfs/dbraw/zinc/10/57/47/1005105747.db2.gz WMTMDIWQJIFNGI-UHFFFAOYSA-N 1 2 415.472 3.919 20 30 HHEDLO Cc1cc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(-c2ccccc2F)n1 ZINC000502531788 1005105751 /nfs/dbraw/zinc/10/57/51/1005105751.db2.gz WMTMDIWQJIFNGI-UHFFFAOYSA-N 1 2 415.472 3.919 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000513788075 1005127554 /nfs/dbraw/zinc/12/75/54/1005127554.db2.gz KLEGOWJLPKYYKT-QGZVFWFLSA-N 1 2 415.584 3.547 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000513788075 1005127556 /nfs/dbraw/zinc/12/75/56/1005127556.db2.gz KLEGOWJLPKYYKT-QGZVFWFLSA-N 1 2 415.584 3.547 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000513789828 1005128550 /nfs/dbraw/zinc/12/85/50/1005128550.db2.gz OBXKCOKBAXAVCL-SFHVURJKSA-N 1 2 418.946 3.776 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000513789828 1005128553 /nfs/dbraw/zinc/12/85/53/1005128553.db2.gz OBXKCOKBAXAVCL-SFHVURJKSA-N 1 2 418.946 3.776 20 30 HHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1C ZINC000511386763 1005151325 /nfs/dbraw/zinc/15/13/25/1005151325.db2.gz WCOKYEJDCPDCKB-UHFFFAOYSA-N 1 2 423.517 3.505 20 30 HHEDLO Cc1nc(SCC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c(C#N)c(C)c1C ZINC000513987364 1005214688 /nfs/dbraw/zinc/21/46/88/1005214688.db2.gz LMXAEPHOPYBCIB-IBGZPJMESA-N 1 2 414.962 3.797 20 30 HHEDLO N#CCCN(C(=O)CCC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000513992017 1005217566 /nfs/dbraw/zinc/21/75/66/1005217566.db2.gz MMOUKSBDERWENK-OAQYLSRUSA-N 1 2 424.932 3.540 20 30 HHEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000503610593 1005464806 /nfs/dbraw/zinc/46/48/06/1005464806.db2.gz PMEOUXVWJWEAMI-HSZRJFAPSA-N 1 2 406.486 3.802 20 30 HHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Cc1cccc(C#N)c1 ZINC000531151756 1006020191 /nfs/dbraw/zinc/02/01/91/1006020191.db2.gz SHXYEXNBZUZHQT-UHFFFAOYSA-N 1 2 402.498 3.815 20 30 HHEDLO COc1cccc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]2CCCO2)c1 ZINC000532483728 1006922746 /nfs/dbraw/zinc/92/27/46/1006922746.db2.gz SGQRCQJXZRBKRA-HXUWFJFHSA-N 1 2 413.905 3.840 20 30 HHEDLO COc1cccc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]2CCCO2)c1 ZINC000532483728 1006922765 /nfs/dbraw/zinc/92/27/65/1006922765.db2.gz SGQRCQJXZRBKRA-HXUWFJFHSA-N 1 2 413.905 3.840 20 30 HHEDLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000532670843 1007086361 /nfs/dbraw/zinc/08/63/61/1007086361.db2.gz FGDHFLKHJPJLPT-KRWDZBQOSA-N 1 2 415.497 3.944 20 30 HHEDLO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ccc(C#N)cc4F)CC3)cc2NC1=O ZINC000532689216 1007103574 /nfs/dbraw/zinc/10/35/74/1007103574.db2.gz PYWKXHWIWMPENZ-AWEZNQCLSA-N 1 2 407.445 3.512 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C3)cs1 ZINC000539001594 1007300078 /nfs/dbraw/zinc/30/00/78/1007300078.db2.gz UNLIZOMZTGCMSF-RNODOKPDSA-N 1 2 402.589 3.981 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C3)cs1 ZINC000539001594 1007300091 /nfs/dbraw/zinc/30/00/91/1007300091.db2.gz UNLIZOMZTGCMSF-RNODOKPDSA-N 1 2 402.589 3.981 20 30 HHEDLO CCC(CC)[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000516822727 1007311322 /nfs/dbraw/zinc/31/13/22/1007311322.db2.gz DXZDCOUIXURSGN-QFIPXVFZSA-N 1 2 408.502 3.821 20 30 HHEDLO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000532944840 1007315865 /nfs/dbraw/zinc/31/58/65/1007315865.db2.gz PUISFKDXXYSNFE-CQSZACIVSA-N 1 2 409.964 3.731 20 30 HHEDLO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000532944840 1007315876 /nfs/dbraw/zinc/31/58/76/1007315876.db2.gz PUISFKDXXYSNFE-CQSZACIVSA-N 1 2 409.964 3.731 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000533285157 1007597415 /nfs/dbraw/zinc/59/74/15/1007597415.db2.gz VNRAHICHBLYGKY-KKMIYCERSA-N 1 2 420.582 3.766 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000533285159 1007597619 /nfs/dbraw/zinc/59/76/19/1007597619.db2.gz VNRAHICHBLYGKY-YOCVDRLZSA-N 1 2 420.582 3.766 20 30 HHEDLO CCc1nsc(N2CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)n1 ZINC000539817500 1008111512 /nfs/dbraw/zinc/11/15/12/1008111512.db2.gz ITRRMYDGEUOLQA-UHFFFAOYSA-N 1 2 419.554 3.873 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540231388 1008345796 /nfs/dbraw/zinc/34/57/96/1008345796.db2.gz ZICXBNDBFKSJOF-GHTZIAJQSA-N 1 2 401.869 3.681 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540231388 1008345799 /nfs/dbraw/zinc/34/57/99/1008345799.db2.gz ZICXBNDBFKSJOF-GHTZIAJQSA-N 1 2 401.869 3.681 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540255303 1008355812 /nfs/dbraw/zinc/35/58/12/1008355812.db2.gz XSIJLMCUQSJASV-PMACEKPBSA-N 1 2 400.885 3.985 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540255303 1008355817 /nfs/dbraw/zinc/35/58/17/1008355817.db2.gz XSIJLMCUQSJASV-PMACEKPBSA-N 1 2 400.885 3.985 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(Oc3cc(C)ccn3)CC2)cc1 ZINC000542965608 1008538891 /nfs/dbraw/zinc/53/88/91/1008538891.db2.gz NFGVCTOISUSLII-UHFFFAOYSA-N 1 2 422.529 3.579 20 30 HHEDLO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549256983 1008827766 /nfs/dbraw/zinc/82/77/66/1008827766.db2.gz RZBIHZLYTJLSGQ-UHFFFAOYSA-N 1 2 402.546 3.751 20 30 HHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)c1ccco1 ZINC000543485471 1009074303 /nfs/dbraw/zinc/07/43/03/1009074303.db2.gz LYDWFLYAVCTUFB-FQEVSTJZSA-N 1 2 424.476 3.673 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000520041059 1009200825 /nfs/dbraw/zinc/20/08/25/1009200825.db2.gz HEISYHIJEZAZDD-LJQANCHMSA-N 1 2 412.603 3.741 20 30 HHEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CCOCC1 ZINC000520225586 1009351288 /nfs/dbraw/zinc/35/12/88/1009351288.db2.gz KKOAGEJHRUEZHW-UHFFFAOYSA-N 1 2 413.518 3.519 20 30 HHEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000520239575 1009360310 /nfs/dbraw/zinc/36/03/10/1009360310.db2.gz LTBHPUGBMLAQRN-MRXNPFEDSA-N 1 2 423.492 3.588 20 30 HHEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000520239575 1009360325 /nfs/dbraw/zinc/36/03/25/1009360325.db2.gz LTBHPUGBMLAQRN-MRXNPFEDSA-N 1 2 423.492 3.588 20 30 HHEDLO COc1cc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)cc(OC)c1OC ZINC000544111976 1009721843 /nfs/dbraw/zinc/72/18/43/1009721843.db2.gz JZHJARQIGUZXST-UHFFFAOYSA-N 1 2 420.469 3.799 20 30 HHEDLO COc1cc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)cc(OC)c1OC ZINC000544111976 1009721851 /nfs/dbraw/zinc/72/18/51/1009721851.db2.gz JZHJARQIGUZXST-UHFFFAOYSA-N 1 2 420.469 3.799 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1C ZINC000520783468 1009852004 /nfs/dbraw/zinc/85/20/04/1009852004.db2.gz BGZZBRCCWZRMRT-UHFFFAOYSA-N 1 2 424.589 3.665 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1C ZINC000520783468 1009852023 /nfs/dbraw/zinc/85/20/23/1009852023.db2.gz BGZZBRCCWZRMRT-UHFFFAOYSA-N 1 2 424.589 3.665 20 30 HHEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000521066154 1010084577 /nfs/dbraw/zinc/08/45/77/1010084577.db2.gz SUMJIDOISKYNOZ-UHFFFAOYSA-N 1 2 422.529 3.520 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000544515899 1010141141 /nfs/dbraw/zinc/14/11/41/1010141141.db2.gz RGKQFSRLYFMROO-UONOGXRCSA-N 1 2 421.339 3.963 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545224489 1010692790 /nfs/dbraw/zinc/69/27/90/1010692790.db2.gz CYJPSCSQBNHTQT-PIGZYNQJSA-N 1 2 403.832 3.564 20 30 HHEDLO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1c(F)cccc1Cl ZINC000540592701 1011249716 /nfs/dbraw/zinc/24/97/16/1011249716.db2.gz QXMQCSQTZGHQEZ-YOEHRIQHSA-N 1 2 420.941 3.600 20 30 HHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000536264392 1011432081 /nfs/dbraw/zinc/43/20/81/1011432081.db2.gz OVGRHWALTWSLDE-LJQANCHMSA-N 1 2 424.476 3.818 20 30 HHEDLO N#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000523115653 1011583291 /nfs/dbraw/zinc/58/32/91/1011583291.db2.gz RMEBRUXZFZGKEW-UHFFFAOYSA-N 1 2 408.468 3.713 20 30 HHEDLO C[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000536418764 1011635153 /nfs/dbraw/zinc/63/51/53/1011635153.db2.gz CMXXCRAFLGENAA-HZPDHXFCSA-N 1 2 413.905 3.843 20 30 HHEDLO C=CC[N@H+](Cc1cc(O)ccc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674081 1011832872 /nfs/dbraw/zinc/83/28/72/1011832872.db2.gz NVSNKUWGYJWKFO-AWEZNQCLSA-N 1 2 414.307 3.880 20 30 HHEDLO C=CC[N@@H+](Cc1cc(O)ccc1Br)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674081 1011832877 /nfs/dbraw/zinc/83/28/77/1011832877.db2.gz NVSNKUWGYJWKFO-AWEZNQCLSA-N 1 2 414.307 3.880 20 30 HHEDLO C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000552279237 1012292470 /nfs/dbraw/zinc/29/24/70/1012292470.db2.gz XAUZMPQBXJPYMW-RTBURBONSA-N 1 2 422.529 3.562 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000541683206 1012519869 /nfs/dbraw/zinc/51/98/69/1012519869.db2.gz JJYCYZYFXIOYFA-SJORKVTESA-N 1 2 420.542 3.808 20 30 HHEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1-c1ccc(C)cc1 ZINC000537219541 1012644877 /nfs/dbraw/zinc/64/48/77/1012644877.db2.gz KBPHMGSHMVPXCH-UHFFFAOYSA-N 1 2 414.513 3.711 20 30 HHEDLO CC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552698626 1012709325 /nfs/dbraw/zinc/70/93/25/1012709325.db2.gz ZYVGRHIAXMNWAY-UHFFFAOYSA-N 1 2 423.948 3.562 20 30 HHEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(Br)cc(C#N)c3)c2C1 ZINC000541936112 1012796926 /nfs/dbraw/zinc/79/69/26/1012796926.db2.gz POTRHVRAHSCISH-UHFFFAOYSA-N 1 2 420.332 3.847 20 30 HHEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(Br)cc(C#N)c3)c2C1 ZINC000541936112 1012796937 /nfs/dbraw/zinc/79/69/37/1012796937.db2.gz POTRHVRAHSCISH-UHFFFAOYSA-N 1 2 420.332 3.847 20 30 HHEDLO CCN(CC)C(=O)C1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000553026703 1013001880 /nfs/dbraw/zinc/00/18/80/1013001880.db2.gz ZOUNCUGLUHQDMW-KRWDZBQOSA-N 1 2 416.591 3.600 20 30 HHEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000913057926 1072323609 /nfs/dbraw/zinc/32/36/09/1072323609.db2.gz CUOVSOLHLOWFRB-UHFFFAOYSA-N 1 2 423.973 3.932 20 30 HHEDLO CC1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000586892510 1072474292 /nfs/dbraw/zinc/47/42/92/1072474292.db2.gz WGYUQNZPPMQFQN-UHFFFAOYSA-N 1 2 422.960 3.950 20 30 HHEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000587024728 1072509107 /nfs/dbraw/zinc/50/91/07/1072509107.db2.gz SDUHQMBOIHEBEX-ZDUSSCGKSA-N 1 2 408.487 3.542 20 30 HHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000588973462 1073365790 /nfs/dbraw/zinc/36/57/90/1073365790.db2.gz UAGPMUVSEKYTLT-CQSZACIVSA-N 1 2 402.951 3.830 20 30 HHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000588973462 1073365796 /nfs/dbraw/zinc/36/57/96/1073365796.db2.gz UAGPMUVSEKYTLT-CQSZACIVSA-N 1 2 402.951 3.830 20 30 HHEDLO N#Cc1ccc(NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000574092075 1075165696 /nfs/dbraw/zinc/16/56/96/1075165696.db2.gz MDMWUBKGQVVARG-LJQANCHMSA-N 1 2 420.391 3.971 20 30 HHEDLO CC(C)[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000574128175 1075169063 /nfs/dbraw/zinc/16/90/63/1075169063.db2.gz MMXIYZKVDXERHT-DRSNIGMVSA-N 1 2 408.502 3.818 20 30 HHEDLO N#CCCN(c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC001165019480 721835643 /nfs/dbraw/zinc/83/56/43/721835643.db2.gz ZDNHAVYCHBQXLG-UHFFFAOYSA-N 1 2 417.557 3.702 20 30 HHEDLO N#Cc1c(Cl)nsc1Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000301937433 971124842 /nfs/dbraw/zinc/12/48/42/971124842.db2.gz VZUSHWLNAFCQRT-UHFFFAOYSA-N 1 2 402.936 3.996 20 30 HHEDLO Cc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000303481779 971781420 /nfs/dbraw/zinc/78/14/20/971781420.db2.gz PZYDOQPWEKSEOK-UHFFFAOYSA-N 1 2 403.482 3.527 20 30 HHEDLO COc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000007266332 961096156 /nfs/dbraw/zinc/09/61/56/961096156.db2.gz KYSJBROQAKNBKD-ZDUSSCGKSA-N 1 2 402.292 3.788 20 30 HHEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000007266332 961096174 /nfs/dbraw/zinc/09/61/74/961096174.db2.gz KYSJBROQAKNBKD-ZDUSSCGKSA-N 1 2 402.292 3.788 20 30 HHEDLO NC(=[NH+]OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1ccccc1 ZINC000020887361 963399905 /nfs/dbraw/zinc/39/99/05/963399905.db2.gz SEXXZFMGQCCCEU-LJQANCHMSA-N 1 2 422.872 3.948 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(CCOc3ccc(Br)cc3)CC2)cc1 ZINC000023257716 963789347 /nfs/dbraw/zinc/78/93/47/963789347.db2.gz LGJCWPHEYBIWTD-UHFFFAOYSA-N 1 2 400.320 3.517 20 30 HHEDLO CCN(C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc2ccccc21 ZINC000023257707 963789614 /nfs/dbraw/zinc/78/96/14/963789614.db2.gz HZEHCULGELSCIA-UHFFFAOYSA-N 1 2 412.537 3.882 20 30 HHEDLO C[C@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2ccccc2c1 ZINC000023258444 963790337 /nfs/dbraw/zinc/79/03/37/963790337.db2.gz UJZYDVURRWPSPS-FQEVSTJZSA-N 1 2 412.537 3.706 20 30 HHEDLO Cc1cc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000023451225 963828566 /nfs/dbraw/zinc/82/85/66/963828566.db2.gz SWWZMDCKDMPQBI-UHFFFAOYSA-N 1 2 409.555 3.934 20 30 HHEDLO Cc1cc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000023451225 963828572 /nfs/dbraw/zinc/82/85/72/963828572.db2.gz SWWZMDCKDMPQBI-UHFFFAOYSA-N 1 2 409.555 3.934 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000025059210 964158332 /nfs/dbraw/zinc/15/83/32/964158332.db2.gz GDINGOVRABHEAI-LJQANCHMSA-N 1 2 419.525 3.925 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000026452671 964568732 /nfs/dbraw/zinc/56/87/32/964568732.db2.gz NFPUUUQLNGWNAZ-UHFFFAOYSA-N 1 2 409.820 3.892 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000026452671 964568745 /nfs/dbraw/zinc/56/87/45/964568745.db2.gz NFPUUUQLNGWNAZ-UHFFFAOYSA-N 1 2 409.820 3.892 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C#N)c1C ZINC000026764195 964669704 /nfs/dbraw/zinc/66/97/04/964669704.db2.gz WMTPGVNQWQEDQV-OAHLLOKOSA-N 1 2 400.910 3.566 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000027417411 964885057 /nfs/dbraw/zinc/88/50/57/964885057.db2.gz JFECTWVJYVCEPZ-OAHLLOKOSA-N 1 2 422.554 3.786 20 30 HHEDLO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C(C)(C)C)cs1 ZINC000542589677 1013529869 /nfs/dbraw/zinc/52/98/69/1013529869.db2.gz DZYGDVNYPWAWEL-AWEZNQCLSA-N 1 2 408.531 3.787 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801411 964988306 /nfs/dbraw/zinc/98/83/06/964988306.db2.gz DCDHZNBMNANBIC-MRXNPFEDSA-N 1 2 419.554 3.519 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801411 964988313 /nfs/dbraw/zinc/98/83/13/964988313.db2.gz DCDHZNBMNANBIC-MRXNPFEDSA-N 1 2 419.554 3.519 20 30 HHEDLO CC[C@@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000028155012 965046458 /nfs/dbraw/zinc/04/64/58/965046458.db2.gz ZUQAVOPWGSBXEE-HSZRJFAPSA-N 1 2 424.976 3.987 20 30 HHEDLO CC[C@@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000028155012 965046470 /nfs/dbraw/zinc/04/64/70/965046470.db2.gz ZUQAVOPWGSBXEE-HSZRJFAPSA-N 1 2 424.976 3.987 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1C ZINC000053049556 965048199 /nfs/dbraw/zinc/04/81/99/965048199.db2.gz SEPIZDYRXFQRIG-UHFFFAOYSA-N 1 2 411.521 3.641 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000553694337 1013552110 /nfs/dbraw/zinc/55/21/10/1013552110.db2.gz FUPQJKCAWXPFJC-LEWJYISDSA-N 1 2 401.457 3.774 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000553694337 1013552116 /nfs/dbraw/zinc/55/21/16/1013552116.db2.gz FUPQJKCAWXPFJC-LEWJYISDSA-N 1 2 401.457 3.774 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000553694339 1013552191 /nfs/dbraw/zinc/55/21/91/1013552191.db2.gz FUPQJKCAWXPFJC-RTWAWAEBSA-N 1 2 401.457 3.774 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000553694339 1013552195 /nfs/dbraw/zinc/55/21/95/1013552195.db2.gz FUPQJKCAWXPFJC-RTWAWAEBSA-N 1 2 401.457 3.774 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)CN2CC[NH+](Cc3ccsc3)CC2)ccc1Cl ZINC000029120315 965273825 /nfs/dbraw/zinc/27/38/25/965273825.db2.gz CYAJPZBWALQSCG-UHFFFAOYSA-N 1 2 416.978 3.774 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000054392584 965500961 /nfs/dbraw/zinc/50/09/61/965500961.db2.gz OUCSMLDTXSZASM-LJQANCHMSA-N 1 2 418.541 3.955 20 30 HHEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000054392584 965500968 /nfs/dbraw/zinc/50/09/68/965500968.db2.gz OUCSMLDTXSZASM-LJQANCHMSA-N 1 2 418.541 3.955 20 30 HHEDLO C=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)c1 ZINC000055724346 966036162 /nfs/dbraw/zinc/03/61/62/966036162.db2.gz AIZBUHFFSDNNLD-UHFFFAOYSA-N 1 2 409.467 3.700 20 30 HHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)ccc1SC ZINC000060356180 966107877 /nfs/dbraw/zinc/10/78/77/966107877.db2.gz WELIXMLOWBERLV-UHFFFAOYSA-N 1 2 421.526 3.545 20 30 HHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)ccc1SC ZINC000060356180 966107881 /nfs/dbraw/zinc/10/78/81/966107881.db2.gz WELIXMLOWBERLV-UHFFFAOYSA-N 1 2 421.526 3.545 20 30 HHEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)C2)n1 ZINC000064638471 967255217 /nfs/dbraw/zinc/25/52/17/967255217.db2.gz NVPQEZZZENIRSG-GOSISDBHSA-N 1 2 424.549 3.991 20 30 HHEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCCC3)C2)n1 ZINC000064638471 967255225 /nfs/dbraw/zinc/25/52/25/967255225.db2.gz NVPQEZZZENIRSG-GOSISDBHSA-N 1 2 424.549 3.991 20 30 HHEDLO CN(C(=O)C[NH+]1CCC(CC#N)CC1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000542880119 1013728987 /nfs/dbraw/zinc/72/89/87/1013728987.db2.gz YTLWUPAAKVTKNT-JOCHJYFZSA-N 1 2 401.938 3.762 20 30 HHEDLO COc1cc(-c2noc(C[N@H+](C)Cc3cccc(C#N)c3)n2)ccc1OC(F)F ZINC000046518012 967836765 /nfs/dbraw/zinc/83/67/65/967836765.db2.gz XWQSWAUZEUUZOM-UHFFFAOYSA-N 1 2 400.385 3.850 20 30 HHEDLO COc1cc(-c2noc(C[N@@H+](C)Cc3cccc(C#N)c3)n2)ccc1OC(F)F ZINC000046518012 967836777 /nfs/dbraw/zinc/83/67/77/967836777.db2.gz XWQSWAUZEUUZOM-UHFFFAOYSA-N 1 2 400.385 3.850 20 30 HHEDLO CCCC(=O)Nc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000047715243 968284552 /nfs/dbraw/zinc/28/45/52/968284552.db2.gz ZAPUJKHAONHWRD-UHFFFAOYSA-N 1 2 405.502 3.647 20 30 HHEDLO CN(C(=O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)C1(C#N)CCCCC1 ZINC000047798091 968316871 /nfs/dbraw/zinc/31/68/71/968316871.db2.gz CVMKBPCMQKOFRA-UHFFFAOYSA-N 1 2 403.473 3.544 20 30 HHEDLO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000048255554 968503339 /nfs/dbraw/zinc/50/33/39/968503339.db2.gz JMERJFLGSYOWCQ-UHFFFAOYSA-N 1 2 419.529 3.811 20 30 HHEDLO C[C@@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000105491917 969241747 /nfs/dbraw/zinc/24/17/47/969241747.db2.gz XGFQLACAJSDHGD-GOSISDBHSA-N 1 2 410.949 3.597 20 30 HHEDLO C[C@@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000105491917 969241756 /nfs/dbraw/zinc/24/17/56/969241756.db2.gz XGFQLACAJSDHGD-GOSISDBHSA-N 1 2 410.949 3.597 20 30 HHEDLO CSc1cccc(NC(=O)CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)c1 ZINC000110177751 969633267 /nfs/dbraw/zinc/63/32/67/969633267.db2.gz CQGAUTKFQCMMBV-UHFFFAOYSA-N 1 2 423.542 3.546 20 30 HHEDLO NC(=[NH+]OCc1cc2c(c(Cl)c1)OCO2)c1ccc(OCc2cccnc2)cc1 ZINC000110266992 969644335 /nfs/dbraw/zinc/64/43/35/969644335.db2.gz UREPICLPWNHMGW-UHFFFAOYSA-N 1 2 411.845 3.880 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC000110297087 969648782 /nfs/dbraw/zinc/64/87/82/969648782.db2.gz GZIAUBMYSNZLBS-INIZCTEOSA-N 1 2 424.303 3.566 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000213772493 970041065 /nfs/dbraw/zinc/04/10/65/970041065.db2.gz KURKUDRMJFQNID-GNJLHFKMSA-N 1 2 408.933 3.870 20 30 HHEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000554565100 1013978975 /nfs/dbraw/zinc/97/89/75/1013978975.db2.gz YGAXUZIVKKOKQN-IBGZPJMESA-N 1 2 402.542 3.695 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426203236 974309951 /nfs/dbraw/zinc/30/99/51/974309951.db2.gz YYGMAPOKFQFNOO-HOTGVXAUSA-N 1 2 403.548 3.540 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000426203236 974309959 /nfs/dbraw/zinc/30/99/59/974309959.db2.gz YYGMAPOKFQFNOO-HOTGVXAUSA-N 1 2 403.548 3.540 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000426368505 974418187 /nfs/dbraw/zinc/41/81/87/974418187.db2.gz YXPGSSWSCLWMDP-JOCHJYFZSA-N 1 2 408.933 3.525 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000426368505 974418191 /nfs/dbraw/zinc/41/81/91/974418191.db2.gz YXPGSSWSCLWMDP-JOCHJYFZSA-N 1 2 408.933 3.525 20 30 HHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000432708400 978943557 /nfs/dbraw/zinc/94/35/57/978943557.db2.gz GQMSOUNHLPECGD-UHFFFAOYSA-N 1 2 411.531 3.748 20 30 HHEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccccc1S(N)(=O)=O ZINC000432982900 979033257 /nfs/dbraw/zinc/03/32/57/979033257.db2.gz FLPQESMXYMSWCM-UHFFFAOYSA-N 1 2 419.550 3.666 20 30 HHEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccccc1S(N)(=O)=O ZINC000432982900 979033261 /nfs/dbraw/zinc/03/32/61/979033261.db2.gz FLPQESMXYMSWCM-UHFFFAOYSA-N 1 2 419.550 3.666 20 30 HHEDLO N#Cc1c(NC(=O)C[NH+]2CCC(CO)(c3ccccc3)CC2)sc2c1CCCCC2 ZINC000433046438 979051029 /nfs/dbraw/zinc/05/10/29/979051029.db2.gz PLQNQVPJJRJEMA-UHFFFAOYSA-N 1 2 423.582 3.853 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C#N)c1C ZINC000434773978 980391662 /nfs/dbraw/zinc/39/16/62/980391662.db2.gz HOAKBMUSOZJTHB-SJLPKXTDSA-N 1 2 408.285 3.604 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C#N)c1C ZINC000434773978 980391669 /nfs/dbraw/zinc/39/16/69/980391669.db2.gz HOAKBMUSOZJTHB-SJLPKXTDSA-N 1 2 408.285 3.604 20 30 HHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435334887 980793333 /nfs/dbraw/zinc/79/33/33/980793333.db2.gz IPPRASLRHBUAQR-QGZVFWFLSA-N 1 2 408.889 3.904 20 30 HHEDLO C=CCC[C@@H](NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000435745201 981012987 /nfs/dbraw/zinc/01/29/87/981012987.db2.gz KOWRNGOTDWTZEF-AUSIDOKSSA-N 1 2 421.541 3.842 20 30 HHEDLO Cc1ccc([C@H]([NH2+]Cc2cc(C#N)ccc2Br)[C@H](C)S(C)(=O)=O)cc1 ZINC000435904594 981084753 /nfs/dbraw/zinc/08/47/53/981084753.db2.gz XPVXFWZMFINACK-IFXJQAMLSA-N 1 2 421.360 3.893 20 30 HHEDLO N#CCCCn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000436205696 981248993 /nfs/dbraw/zinc/24/89/93/981248993.db2.gz DOKIEYMGRBGMQG-UHFFFAOYSA-N 1 2 411.509 3.775 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000437321159 981972149 /nfs/dbraw/zinc/97/21/49/981972149.db2.gz AXNQQBKOQSMPHT-UHFFFAOYSA-N 1 2 418.950 3.534 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437779221 982351745 /nfs/dbraw/zinc/35/17/45/982351745.db2.gz BJYXJDZTZWZXGK-PTLICHBZSA-N 1 2 411.468 3.520 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000437779221 982351751 /nfs/dbraw/zinc/35/17/51/982351751.db2.gz BJYXJDZTZWZXGK-PTLICHBZSA-N 1 2 411.468 3.520 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CNC(=O)Nc3ccccc3)o2)cc1 ZINC000438701007 983012322 /nfs/dbraw/zinc/01/23/22/983012322.db2.gz NNIWIEJEEYJEPQ-HXUWFJFHSA-N 1 2 416.485 3.784 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CNC(=O)Nc3ccccc3)o2)cc1 ZINC000438701007 983012330 /nfs/dbraw/zinc/01/23/30/983012330.db2.gz NNIWIEJEEYJEPQ-HXUWFJFHSA-N 1 2 416.485 3.784 20 30 HHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCCO1 ZINC000439463001 983421122 /nfs/dbraw/zinc/42/11/22/983421122.db2.gz AFINJDHALJTGHW-HXUWFJFHSA-N 1 2 412.509 3.603 20 30 HHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCCO1 ZINC000439463001 983421123 /nfs/dbraw/zinc/42/11/23/983421123.db2.gz AFINJDHALJTGHW-HXUWFJFHSA-N 1 2 412.509 3.603 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440237813 983692268 /nfs/dbraw/zinc/69/22/68/983692268.db2.gz GWQHDILBKIANHB-ZJSXRUAMSA-N 1 2 420.557 3.964 20 30 HHEDLO C=CC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441319904 984180509 /nfs/dbraw/zinc/18/05/09/984180509.db2.gz WWEUYRARBALFBE-QGZVFWFLSA-N 1 2 403.465 3.736 20 30 HHEDLO C=CC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441319904 984180510 /nfs/dbraw/zinc/18/05/10/984180510.db2.gz WWEUYRARBALFBE-QGZVFWFLSA-N 1 2 403.465 3.736 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000442221502 984740701 /nfs/dbraw/zinc/74/07/01/984740701.db2.gz ZJXVQNHCMIYUNU-ZDUSSCGKSA-N 1 2 407.396 3.677 20 30 HHEDLO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000468481352 986178756 /nfs/dbraw/zinc/17/87/56/986178756.db2.gz YSVDMSKUQMXVGN-IBGZPJMESA-N 1 2 416.319 3.790 20 30 HHEDLO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000468481352 986178758 /nfs/dbraw/zinc/17/87/58/986178758.db2.gz YSVDMSKUQMXVGN-IBGZPJMESA-N 1 2 416.319 3.790 20 30 HHEDLO Cc1c(C[NH+]2CCSCC2)cccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000444032836 986228514 /nfs/dbraw/zinc/22/85/14/986228514.db2.gz KZNMLOPVRHQGSS-UHFFFAOYSA-N 1 2 421.975 3.870 20 30 HHEDLO CC(C)c1nn(C)c2sc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc12 ZINC000463359342 986325210 /nfs/dbraw/zinc/32/52/10/986325210.db2.gz HHYSAOOYDMPFRA-UHFFFAOYSA-N 1 2 421.570 3.978 20 30 HHEDLO CC(C)c1nn(C)c2sc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc12 ZINC000463359342 986325218 /nfs/dbraw/zinc/32/52/18/986325218.db2.gz HHYSAOOYDMPFRA-UHFFFAOYSA-N 1 2 421.570 3.978 20 30 HHEDLO Cc1oc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c(C#N)c1C ZINC000444170243 986345664 /nfs/dbraw/zinc/34/56/64/986345664.db2.gz MDGIUDUJCNKXAF-HNNXBMFYSA-N 1 2 400.910 3.739 20 30 HHEDLO C[C@@H]1C[N@@H+](Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)C[C@H](C)O1 ZINC000444200594 986380131 /nfs/dbraw/zinc/38/01/31/986380131.db2.gz CSVNYXQLCMEMKD-GASCZTMLSA-N 1 2 419.934 3.622 20 30 HHEDLO C[C@@H]1C[N@H+](Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)C[C@H](C)O1 ZINC000444200594 986380139 /nfs/dbraw/zinc/38/01/39/986380139.db2.gz CSVNYXQLCMEMKD-GASCZTMLSA-N 1 2 419.934 3.622 20 30 HHEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444379143 986554832 /nfs/dbraw/zinc/55/48/32/986554832.db2.gz CVGGTUFBICDUGC-JOCHJYFZSA-N 1 2 403.482 3.675 20 30 HHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000469325066 987034395 /nfs/dbraw/zinc/03/43/95/987034395.db2.gz YVJHERAFTCBZBV-GOSISDBHSA-N 1 2 403.461 3.590 20 30 HHEDLO C[C@H](c1cccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1)[NH+]1CCOCC1 ZINC000469345123 987050339 /nfs/dbraw/zinc/05/03/39/987050339.db2.gz PMMKTQRIBRWNBS-MRXNPFEDSA-N 1 2 402.454 3.859 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3-c3ccccc3Cl)CC2)cc1 ZINC000445646987 987720976 /nfs/dbraw/zinc/72/09/76/987720976.db2.gz JJRCEUWVGNTXPI-UHFFFAOYSA-N 1 2 405.889 3.560 20 30 HHEDLO Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000470042020 987928570 /nfs/dbraw/zinc/92/85/70/987928570.db2.gz CXXJBIMIEJLQMI-RPWUZVMVSA-N 1 2 418.541 3.614 20 30 HHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000470302625 988260882 /nfs/dbraw/zinc/26/08/82/988260882.db2.gz MJCAVCOCWARANV-OAQYLSRUSA-N 1 2 400.482 3.891 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000470307715 988265225 /nfs/dbraw/zinc/26/52/25/988265225.db2.gz JRJSIZOWDYFFHN-FQEVSTJZSA-N 1 2 416.529 3.834 20 30 HHEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000464694402 988903271 /nfs/dbraw/zinc/90/32/71/988903271.db2.gz SQZWCPQDQMUNER-MRXNPFEDSA-N 1 2 403.515 3.930 20 30 HHEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000464694402 988903277 /nfs/dbraw/zinc/90/32/77/988903277.db2.gz SQZWCPQDQMUNER-MRXNPFEDSA-N 1 2 403.515 3.930 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCS[C@@H](C(C)C)C2)c1C#N ZINC000464779252 989006842 /nfs/dbraw/zinc/00/68/42/989006842.db2.gz UJVJVWZCRUBQQT-LJQANCHMSA-N 1 2 400.548 3.630 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCS[C@@H](C(C)C)C2)c1C#N ZINC000464779252 989006849 /nfs/dbraw/zinc/00/68/49/989006849.db2.gz UJVJVWZCRUBQQT-LJQANCHMSA-N 1 2 400.548 3.630 20 30 HHEDLO COC(=O)c1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C)s1 ZINC000464866098 989123138 /nfs/dbraw/zinc/12/31/38/989123138.db2.gz OKICAZAYYHADOS-UHFFFAOYSA-N 1 2 406.511 3.585 20 30 HHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000471759052 989951183 /nfs/dbraw/zinc/95/11/83/989951183.db2.gz JUYPGZVYCZSDND-UHFFFAOYSA-N 1 2 423.557 3.686 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471999301 990167528 /nfs/dbraw/zinc/16/75/28/990167528.db2.gz SLWRVCQJRPOLPB-SJLPKXTDSA-N 1 2 404.877 3.546 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471999301 990167535 /nfs/dbraw/zinc/16/75/35/990167535.db2.gz SLWRVCQJRPOLPB-SJLPKXTDSA-N 1 2 404.877 3.546 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000467185848 992507769 /nfs/dbraw/zinc/50/77/69/992507769.db2.gz IBWLTRFCMFUETQ-XMMPIXPASA-N 1 2 413.525 3.907 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000467185848 992507781 /nfs/dbraw/zinc/50/77/81/992507781.db2.gz IBWLTRFCMFUETQ-XMMPIXPASA-N 1 2 413.525 3.907 20 30 HHEDLO CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000467194877 992518666 /nfs/dbraw/zinc/51/86/66/992518666.db2.gz DXBFWXDCEGMJNA-MRXNPFEDSA-N 1 2 411.506 3.526 20 30 HHEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000467515342 992793772 /nfs/dbraw/zinc/79/37/72/992793772.db2.gz YOFCQAXPPGBXHY-INIZCTEOSA-N 1 2 406.349 3.791 20 30 HHEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(-c3ccc(Br)cc3)s2)C1=O ZINC000467515342 992793779 /nfs/dbraw/zinc/79/37/79/992793779.db2.gz YOFCQAXPPGBXHY-INIZCTEOSA-N 1 2 406.349 3.791 20 30 HHEDLO COc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000467672346 992930431 /nfs/dbraw/zinc/93/04/31/992930431.db2.gz VDJDOFFEVLJSKQ-UHFFFAOYSA-N 1 2 408.502 3.704 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472308930 993320645 /nfs/dbraw/zinc/32/06/45/993320645.db2.gz BVYCLRQZWRGWOS-JXFKEZNVSA-N 1 2 418.419 3.941 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000472308930 993320652 /nfs/dbraw/zinc/32/06/52/993320652.db2.gz BVYCLRQZWRGWOS-JXFKEZNVSA-N 1 2 418.419 3.941 20 30 HHEDLO C=C(C)[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000482640239 995635070 /nfs/dbraw/zinc/63/50/70/995635070.db2.gz GSQKCNTVAOKFQQ-UGKGYDQZSA-N 1 2 415.484 3.782 20 30 HHEDLO C=C(C)[C@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000482640239 995635077 /nfs/dbraw/zinc/63/50/77/995635077.db2.gz GSQKCNTVAOKFQQ-UGKGYDQZSA-N 1 2 415.484 3.782 20 30 HHEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)c(OC(F)F)c1 ZINC000483083493 995961549 /nfs/dbraw/zinc/96/15/49/995961549.db2.gz LQCQLOUZSBCZBA-CQSZACIVSA-N 1 2 402.319 3.881 20 30 HHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000483430624 996174204 /nfs/dbraw/zinc/17/42/04/996174204.db2.gz JTPXJPKNLQFXAS-QHCPKHFHSA-N 1 2 402.498 3.744 20 30 HHEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000483430624 996174208 /nfs/dbraw/zinc/17/42/08/996174208.db2.gz JTPXJPKNLQFXAS-QHCPKHFHSA-N 1 2 402.498 3.744 20 30 HHEDLO CC(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1Br ZINC000483537968 996238985 /nfs/dbraw/zinc/23/89/85/996238985.db2.gz KREOXWWTOTYRDQ-UHFFFAOYSA-N 1 2 405.340 3.563 20 30 HHEDLO CC(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1Br ZINC000483537968 996238990 /nfs/dbraw/zinc/23/89/90/996238990.db2.gz KREOXWWTOTYRDQ-UHFFFAOYSA-N 1 2 405.340 3.563 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OCC(F)F)cc3)CC2)cc1 ZINC000483554180 996247420 /nfs/dbraw/zinc/24/74/20/996247420.db2.gz CMPIRDKBRUUZFG-UHFFFAOYSA-N 1 2 400.429 3.552 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000475736215 996335104 /nfs/dbraw/zinc/33/51/04/996335104.db2.gz VYDVSYIUSWPVCS-XBBWARJSSA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000475736215 996335109 /nfs/dbraw/zinc/33/51/09/996335109.db2.gz VYDVSYIUSWPVCS-XBBWARJSSA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000476410971 996871374 /nfs/dbraw/zinc/87/13/74/996871374.db2.gz FSCZGJASOCITAZ-IBGZPJMESA-N 1 2 414.918 3.745 20 30 HHEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000484557945 996890864 /nfs/dbraw/zinc/89/08/64/996890864.db2.gz QZCKARDHLJBJNI-NSHDSACASA-N 1 2 420.145 3.673 20 30 HHEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000484557945 996890879 /nfs/dbraw/zinc/89/08/79/996890879.db2.gz QZCKARDHLJBJNI-NSHDSACASA-N 1 2 420.145 3.673 20 30 HHEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000484561038 996894558 /nfs/dbraw/zinc/89/45/58/996894558.db2.gz JAICWOQFPCPQAY-QHCPKHFHSA-N 1 2 407.514 3.507 20 30 HHEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000484561038 996894561 /nfs/dbraw/zinc/89/45/61/996894561.db2.gz JAICWOQFPCPQAY-QHCPKHFHSA-N 1 2 407.514 3.507 20 30 HHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000477072633 997721734 /nfs/dbraw/zinc/72/17/34/997721734.db2.gz FIKWTOKSPFLICE-QZXCRCNTSA-N 1 2 401.557 3.671 20 30 HHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000477072633 997721746 /nfs/dbraw/zinc/72/17/46/997721746.db2.gz FIKWTOKSPFLICE-QZXCRCNTSA-N 1 2 401.557 3.671 20 30 HHEDLO C=CCSc1ccccc1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000485461917 997906384 /nfs/dbraw/zinc/90/63/84/997906384.db2.gz DXVQPFJNLWEQBY-UHFFFAOYSA-N 1 2 412.555 3.606 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485655995 998105159 /nfs/dbraw/zinc/10/51/59/998105159.db2.gz IRKWXKKFEMBIQG-TZIWHRDSSA-N 1 2 401.482 3.631 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000485655995 998105163 /nfs/dbraw/zinc/10/51/63/998105163.db2.gz IRKWXKKFEMBIQG-TZIWHRDSSA-N 1 2 401.482 3.631 20 30 HHEDLO COc1cc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000485872936 998330153 /nfs/dbraw/zinc/33/01/53/998330153.db2.gz JQLRZIFLDJVPPT-HSZRJFAPSA-N 1 2 422.525 3.773 20 30 HHEDLO COc1cc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000485872936 998330167 /nfs/dbraw/zinc/33/01/67/998330167.db2.gz JQLRZIFLDJVPPT-HSZRJFAPSA-N 1 2 422.525 3.773 20 30 HHEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000485975236 998416899 /nfs/dbraw/zinc/41/68/99/998416899.db2.gz IMUOGJKOBIPWGI-GFCCVEGCSA-N 1 2 419.576 3.766 20 30 HHEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000485975236 998416907 /nfs/dbraw/zinc/41/69/07/998416907.db2.gz IMUOGJKOBIPWGI-GFCCVEGCSA-N 1 2 419.576 3.766 20 30 HHEDLO COc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)c1 ZINC000486123694 998571806 /nfs/dbraw/zinc/57/18/06/998571806.db2.gz GTYJMHICLVSFAA-IBGZPJMESA-N 1 2 411.527 3.519 20 30 HHEDLO COc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)c1 ZINC000486123694 998571824 /nfs/dbraw/zinc/57/18/24/998571824.db2.gz GTYJMHICLVSFAA-IBGZPJMESA-N 1 2 411.527 3.519 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000477861157 998611571 /nfs/dbraw/zinc/61/15/71/998611571.db2.gz XPLXJFGYOLWIIB-LJQANCHMSA-N 1 2 423.561 3.870 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000486441381 998770112 /nfs/dbraw/zinc/77/01/12/998770112.db2.gz ZXZJEDMGOPIMFD-HXUWFJFHSA-N 1 2 416.447 3.732 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937100 999321789 /nfs/dbraw/zinc/32/17/89/999321789.db2.gz VGGVTRKYZXVXSV-ZDUSSCGKSA-N 1 2 402.296 3.541 20 30 HHEDLO COCC1(C#N)CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000479338114 999392703 /nfs/dbraw/zinc/39/27/03/999392703.db2.gz DMEKVKMKQPMSFS-SFHVURJKSA-N 1 2 422.932 3.578 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000479936074 999654947 /nfs/dbraw/zinc/65/49/47/999654947.db2.gz YESBICQIWFZASL-QGZVFWFLSA-N 1 2 412.921 3.966 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000479936073 999654974 /nfs/dbraw/zinc/65/49/74/999654974.db2.gz YESBICQIWFZASL-KRWDZBQOSA-N 1 2 412.921 3.966 20 30 HHEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1)c1cccc(Cl)c1 ZINC000489008610 999670767 /nfs/dbraw/zinc/67/07/67/999670767.db2.gz HHAJLMZNOVYTCU-GOSISDBHSA-N 1 2 416.884 3.664 20 30 HHEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1)c1cccc(Cl)c1 ZINC000489008610 999670768 /nfs/dbraw/zinc/67/07/68/999670768.db2.gz HHAJLMZNOVYTCU-GOSISDBHSA-N 1 2 416.884 3.664 20 30 HHEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCCn1cc[nH+]c1 ZINC000480641446 999848667 /nfs/dbraw/zinc/84/86/67/999848667.db2.gz CMRXIAOQOPKMTI-UHFFFAOYSA-N 1 2 409.515 3.652 20 30 HHEDLO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000490816611 1000010836 /nfs/dbraw/zinc/01/08/36/1000010836.db2.gz CWWIDCJQAJPVJD-FQEVSTJZSA-N 1 2 405.527 3.656 20 30 HHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000491398722 1000071761 /nfs/dbraw/zinc/07/17/61/1000071761.db2.gz UHKIIEKBOXLLAE-UHFFFAOYSA-N 1 2 419.407 3.548 20 30 HHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000491398722 1000071763 /nfs/dbraw/zinc/07/17/63/1000071763.db2.gz UHKIIEKBOXLLAE-UHFFFAOYSA-N 1 2 419.407 3.548 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(C#N)c1C ZINC000492600252 1000134583 /nfs/dbraw/zinc/13/45/83/1000134583.db2.gz GJSXYCZTOXLCGP-GFCCVEGCSA-N 1 2 409.412 3.648 20 30 HHEDLO O=S(=O)(c1ccc(F)cc1C(F)(F)F)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000494505599 1000529845 /nfs/dbraw/zinc/52/98/45/1000529845.db2.gz SXHPBAMUOCOCKL-UHFFFAOYSA-N 1 2 402.291 3.997 20 30 HHEDLO CSCC[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1nnc2ccccn21 ZINC000494793199 1000659416 /nfs/dbraw/zinc/65/94/16/1000659416.db2.gz TXJPVURWVORVLE-MRXNPFEDSA-N 1 2 416.348 3.947 20 30 HHEDLO CSCC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnc2ccccn21 ZINC000494803414 1000666870 /nfs/dbraw/zinc/66/68/70/1000666870.db2.gz FEYFFHYYGBAJJN-OAHLLOKOSA-N 1 2 403.458 3.786 20 30 HHEDLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[NH2+]1 ZINC000505515783 1000854919 /nfs/dbraw/zinc/85/49/19/1000854919.db2.gz NTKAGJBIKLDCRG-OAQYLSRUSA-N 1 2 417.465 3.526 20 30 HHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n2)C1 ZINC000505737471 1001000347 /nfs/dbraw/zinc/00/03/47/1001000347.db2.gz XTARXRRTIKMNKQ-VLIAUNLRSA-N 1 2 406.552 3.575 20 30 HHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n2)C1 ZINC000505737471 1001000353 /nfs/dbraw/zinc/00/03/53/1001000353.db2.gz XTARXRRTIKMNKQ-VLIAUNLRSA-N 1 2 406.552 3.575 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3CC)CC2)cc1OC ZINC000506022868 1001169469 /nfs/dbraw/zinc/16/94/69/1001169469.db2.gz YKLYNIONOIXLEG-UHFFFAOYSA-N 1 2 423.557 3.579 20 30 HHEDLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)c1C ZINC000506040101 1001183300 /nfs/dbraw/zinc/18/33/00/1001183300.db2.gz IIOASNBJWNYXTH-UHFFFAOYSA-N 1 2 420.557 3.742 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3cccc(Cl)c3Cl)CC2)cc1 ZINC000506201769 1001275716 /nfs/dbraw/zinc/27/57/16/1001275716.db2.gz WUWJSEBUDRJFBO-UHFFFAOYSA-N 1 2 417.340 3.935 20 30 HHEDLO N#CCCn1cc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000506592871 1001466143 /nfs/dbraw/zinc/46/61/43/1001466143.db2.gz HVUKJFOHCPGUJC-UHFFFAOYSA-N 1 2 420.561 3.624 20 30 HHEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000506691252 1001495297 /nfs/dbraw/zinc/49/52/97/1001495297.db2.gz WHAADLGLKKPCSR-NRFANRHFSA-N 1 2 412.515 3.907 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497721833 1001495548 /nfs/dbraw/zinc/49/55/48/1001495548.db2.gz IBIQIEQTRPZDRR-NHCUHLMSSA-N 1 2 414.912 3.982 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497721833 1001495550 /nfs/dbraw/zinc/49/55/50/1001495550.db2.gz IBIQIEQTRPZDRR-NHCUHLMSSA-N 1 2 414.912 3.982 20 30 HHEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000498285237 1001755707 /nfs/dbraw/zinc/75/57/07/1001755707.db2.gz LXSNRCPJHMFIKN-RTWAWAEBSA-N 1 2 417.937 3.745 20 30 HHEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000498285237 1001755714 /nfs/dbraw/zinc/75/57/14/1001755714.db2.gz LXSNRCPJHMFIKN-RTWAWAEBSA-N 1 2 417.937 3.745 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)c(F)c1 ZINC000507163550 1001852357 /nfs/dbraw/zinc/85/23/57/1001852357.db2.gz HDWATINMJYWRND-INIZCTEOSA-N 1 2 424.303 3.566 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c(C#N)c1C ZINC000507291088 1001974639 /nfs/dbraw/zinc/97/46/39/1001974639.db2.gz HEWZGGAMQXTGIF-AWEZNQCLSA-N 1 2 412.465 3.585 20 30 HHEDLO N#Cc1ccccc1N1CC[NH+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000507292838 1001976938 /nfs/dbraw/zinc/97/69/38/1001976938.db2.gz OGMUEMQJOZHOQO-RUZDIDTESA-N 1 2 410.521 3.738 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)CC2)cc1 ZINC000498582130 1001994508 /nfs/dbraw/zinc/99/45/08/1001994508.db2.gz DBTZBXHXHMNEEA-LEWJYISDSA-N 1 2 424.342 3.769 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000507785923 1002343557 /nfs/dbraw/zinc/34/35/57/1002343557.db2.gz GAVBEAZEXUELQS-UHFFFAOYSA-N 1 2 419.403 3.939 20 30 HHEDLO C=CCn1c(COc2ccccc2CC)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508728843 1003168592 /nfs/dbraw/zinc/16/85/92/1003168592.db2.gz CEJDJRWHUMGLFR-UHFFFAOYSA-N 1 2 407.518 3.521 20 30 HHEDLO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508825290 1003248514 /nfs/dbraw/zinc/24/85/14/1003248514.db2.gz JQPDCUDKUGQJDL-KRWDZBQOSA-N 1 2 424.936 3.979 20 30 HHEDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000499959355 1003279600 /nfs/dbraw/zinc/27/96/00/1003279600.db2.gz APTRHRIBZCTSQD-ACJLOTCBSA-N 1 2 407.848 3.577 20 30 HHEDLO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000508884307 1003308448 /nfs/dbraw/zinc/30/84/48/1003308448.db2.gz GPNPATFKGGLAFE-UHFFFAOYSA-N 1 2 411.481 3.502 20 30 HHEDLO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508885949 1003310533 /nfs/dbraw/zinc/31/05/33/1003310533.db2.gz VKZLGNZJQPCPLB-UHFFFAOYSA-N 1 2 418.932 3.978 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc4cc(Br)ccc4o3)CC2)cc1 ZINC000509260147 1003661331 /nfs/dbraw/zinc/66/13/31/1003661331.db2.gz LJBMXVDOLGTPER-UHFFFAOYSA-N 1 2 411.303 3.780 20 30 HHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000500592098 1003806195 /nfs/dbraw/zinc/80/61/95/1003806195.db2.gz NNWJBHIVTLQGJK-UHFFFAOYSA-N 1 2 420.900 3.853 20 30 HHEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1OC ZINC000500837080 1003992109 /nfs/dbraw/zinc/99/21/09/1003992109.db2.gz MDVRRRCROSAEKZ-OAQYLSRUSA-N 1 2 407.470 3.884 20 30 HHEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1OC ZINC000500837080 1003992115 /nfs/dbraw/zinc/99/21/15/1003992115.db2.gz MDVRRRCROSAEKZ-OAQYLSRUSA-N 1 2 407.470 3.884 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000512180503 1004082909 /nfs/dbraw/zinc/08/29/09/1004082909.db2.gz OKSIJSNTIQOYPT-AWEZNQCLSA-N 1 2 407.308 3.940 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000512180503 1004082916 /nfs/dbraw/zinc/08/29/16/1004082916.db2.gz OKSIJSNTIQOYPT-AWEZNQCLSA-N 1 2 407.308 3.940 20 30 HHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1C ZINC000509811735 1004115858 /nfs/dbraw/zinc/11/58/58/1004115858.db2.gz KMSXFXQNADXLNV-UHFFFAOYSA-N 1 2 410.493 3.593 20 30 HHEDLO N#Cc1c(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)sc2c1CCCC2 ZINC000512385002 1004262049 /nfs/dbraw/zinc/26/20/49/1004262049.db2.gz ZMMTYORIKLOIBV-UHFFFAOYSA-N 1 2 419.510 3.976 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)c1C ZINC000501435841 1004420050 /nfs/dbraw/zinc/42/00/50/1004420050.db2.gz PZLPUZHWCFJZKS-IBGZPJMESA-N 1 2 405.336 3.902 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)c1C ZINC000501435841 1004420054 /nfs/dbraw/zinc/42/00/54/1004420054.db2.gz PZLPUZHWCFJZKS-IBGZPJMESA-N 1 2 405.336 3.902 20 30 HHEDLO C=CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000510370519 1004516222 /nfs/dbraw/zinc/51/62/22/1004516222.db2.gz AKKFJMHNYBHWJI-CYBMUJFWSA-N 1 2 412.342 3.703 20 30 HHEDLO C=CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000510370519 1004516231 /nfs/dbraw/zinc/51/62/31/1004516231.db2.gz AKKFJMHNYBHWJI-CYBMUJFWSA-N 1 2 412.342 3.703 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)N3CCSc4ccccc43)CC2)c(F)c1 ZINC000512826239 1004585078 /nfs/dbraw/zinc/58/50/78/1004585078.db2.gz CFVGYHONAIXTSH-UHFFFAOYSA-N 1 2 411.502 3.679 20 30 HHEDLO C=CCN(CC=C)C(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000501713810 1004634962 /nfs/dbraw/zinc/63/49/62/1004634962.db2.gz DBTAJEQQINZACI-HNNXBMFYSA-N 1 2 419.982 3.836 20 30 HHEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000513111785 1004812809 /nfs/dbraw/zinc/81/28/09/1004812809.db2.gz MLCBKWVENWTBOZ-UHFFFAOYSA-N 1 2 419.447 3.934 20 30 HHEDLO COc1cc(C#N)ccc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510934083 1004941500 /nfs/dbraw/zinc/94/15/00/1004941500.db2.gz JHSPFSNMRQZSRH-UHFFFAOYSA-N 1 2 415.291 3.821 20 30 HHEDLO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000510972505 1004960851 /nfs/dbraw/zinc/96/08/51/1004960851.db2.gz YQVVRUMBHANXIH-GOSISDBHSA-N 1 2 422.504 3.786 20 30 HHEDLO CCOC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000502216895 1004962954 /nfs/dbraw/zinc/96/29/54/1004962954.db2.gz OCSXMHNVKINHTB-HNNXBMFYSA-N 1 2 417.575 3.881 20 30 HHEDLO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502494790 1005091707 /nfs/dbraw/zinc/09/17/07/1005091707.db2.gz KSUCDPZMPNAUGA-KRWDZBQOSA-N 1 2 405.498 3.542 20 30 HHEDLO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502494790 1005091714 /nfs/dbraw/zinc/09/17/14/1005091714.db2.gz KSUCDPZMPNAUGA-KRWDZBQOSA-N 1 2 405.498 3.542 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc4c(cc3OC(F)F)OCO4)CC2)cc1 ZINC000513725939 1005098183 /nfs/dbraw/zinc/09/81/83/1005098183.db2.gz UQDAOUIHMKTIMB-UHFFFAOYSA-N 1 2 402.397 3.932 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn(-c4ccc(F)cc4Cl)nn3)CC2)cc1 ZINC000513746157 1005106659 /nfs/dbraw/zinc/10/66/59/1005106659.db2.gz PMYCYQZXHMHNRZ-UHFFFAOYSA-N 1 2 411.868 3.975 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513990712 1005216712 /nfs/dbraw/zinc/21/67/12/1005216712.db2.gz YSYAVFWTBQIRDY-IBGZPJMESA-N 1 2 413.905 3.552 20 30 HHEDLO Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000511563332 1005226341 /nfs/dbraw/zinc/22/63/41/1005226341.db2.gz YFRLNAUYTLBPHL-UHFFFAOYSA-N 1 2 417.513 3.565 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(OC3CCCC3)CC2)c1C#N ZINC000503567619 1005454735 /nfs/dbraw/zinc/45/47/35/1005454735.db2.gz CBDABTAAQBFAAP-UHFFFAOYSA-N 1 2 424.545 3.980 20 30 HHEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000503610594 1005464797 /nfs/dbraw/zinc/46/47/97/1005464797.db2.gz PMEOUXVWJWEAMI-QHCPKHFHSA-N 1 2 406.486 3.802 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000504422490 1005624768 /nfs/dbraw/zinc/62/47/68/1005624768.db2.gz SZYCEUGDBZABNB-SFHVURJKSA-N 1 2 407.514 3.776 20 30 HHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2)c1 ZINC000531505211 1006237705 /nfs/dbraw/zinc/23/77/05/1006237705.db2.gz RKIGMDGRLJHLPK-FQEVSTJZSA-N 1 2 417.557 3.747 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538638077 1006907974 /nfs/dbraw/zinc/90/79/74/1006907974.db2.gz TZCZZUVPIFXIOT-AWEZNQCLSA-N 1 2 405.420 3.880 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538638077 1006907979 /nfs/dbraw/zinc/90/79/79/1006907979.db2.gz TZCZZUVPIFXIOT-AWEZNQCLSA-N 1 2 405.420 3.880 20 30 HHEDLO COc1cccc(C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]2CCCO2)c1 ZINC000532483560 1006923101 /nfs/dbraw/zinc/92/31/01/1006923101.db2.gz POXNPZCDYRCKLO-HXUWFJFHSA-N 1 2 413.905 3.840 20 30 HHEDLO COc1cccc(C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]2CCCO2)c1 ZINC000532483560 1006923110 /nfs/dbraw/zinc/92/31/10/1006923110.db2.gz POXNPZCDYRCKLO-HXUWFJFHSA-N 1 2 413.905 3.840 20 30 HHEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccccc1 ZINC000538664834 1006944877 /nfs/dbraw/zinc/94/48/77/1006944877.db2.gz BFWWDPBODRIVOI-FQEVSTJZSA-N 1 2 420.561 3.979 20 30 HHEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccccc1 ZINC000538664834 1006944890 /nfs/dbraw/zinc/94/48/90/1006944890.db2.gz BFWWDPBODRIVOI-FQEVSTJZSA-N 1 2 420.561 3.979 20 30 HHEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccccc1 ZINC000538664838 1006945461 /nfs/dbraw/zinc/94/54/61/1006945461.db2.gz BFWWDPBODRIVOI-HXUWFJFHSA-N 1 2 420.561 3.979 20 30 HHEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)c1ccccc1 ZINC000538664838 1006945469 /nfs/dbraw/zinc/94/54/69/1006945469.db2.gz BFWWDPBODRIVOI-HXUWFJFHSA-N 1 2 420.561 3.979 20 30 HHEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000534943093 1006984465 /nfs/dbraw/zinc/98/44/65/1006984465.db2.gz JYGAWIDBMCLELA-UHFFFAOYSA-N 1 2 413.905 3.798 20 30 HHEDLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000535059536 1007085024 /nfs/dbraw/zinc/08/50/24/1007085024.db2.gz WDOCCRNLMYCNSS-FQEVSTJZSA-N 1 2 421.884 3.641 20 30 HHEDLO COc1ccc(Cl)cc1N1C(=O)C[C@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000535059536 1007085037 /nfs/dbraw/zinc/08/50/37/1007085037.db2.gz WDOCCRNLMYCNSS-FQEVSTJZSA-N 1 2 421.884 3.641 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCSC[C@@H]2CCO)cc1OCC ZINC000538811742 1007090897 /nfs/dbraw/zinc/09/08/97/1007090897.db2.gz DQHBTGZSAJORNF-HNNXBMFYSA-N 1 2 416.381 3.712 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCSC[C@@H]2CCO)cc1OCC ZINC000538811742 1007090912 /nfs/dbraw/zinc/09/09/12/1007090912.db2.gz DQHBTGZSAJORNF-HNNXBMFYSA-N 1 2 416.381 3.712 20 30 HHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000532726858 1007136122 /nfs/dbraw/zinc/13/61/22/1007136122.db2.gz JVGUIKDKHOWFSD-URXFXBBRSA-N 1 2 404.558 3.695 20 30 HHEDLO C=C(C)COc1cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)ccc1OC ZINC000533070110 1007432410 /nfs/dbraw/zinc/43/24/10/1007432410.db2.gz LSVJTTDJDGXDGK-KRWDZBQOSA-N 1 2 412.494 3.695 20 30 HHEDLO CN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1nc2ccccc2s1 ZINC000533286809 1007598781 /nfs/dbraw/zinc/59/87/81/1007598781.db2.gz GUGYDINHFYFXTC-UHFFFAOYSA-N 1 2 406.511 3.674 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480708 1007788187 /nfs/dbraw/zinc/78/81/87/1007788187.db2.gz HPYCGKZWHPXWJJ-UHFFFAOYSA-N 1 2 403.511 3.906 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533480708 1007788195 /nfs/dbraw/zinc/78/81/95/1007788195.db2.gz HPYCGKZWHPXWJJ-UHFFFAOYSA-N 1 2 403.511 3.906 20 30 HHEDLO C[C@H]([C@H](C)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[NH+]1CCOCC1 ZINC000517893480 1008041667 /nfs/dbraw/zinc/04/16/67/1008041667.db2.gz NYBGQSRDUYHTGH-RBUKOAKNSA-N 1 2 422.529 3.562 20 30 HHEDLO Cc1sc(NC(=O)CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(C#N)c1C ZINC000539883316 1008160403 /nfs/dbraw/zinc/16/04/03/1008160403.db2.gz PSKXNYLXNXLECV-HNNXBMFYSA-N 1 2 400.523 3.693 20 30 HHEDLO COc1ccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)cc1OCCCC#N ZINC000540203092 1008334491 /nfs/dbraw/zinc/33/44/91/1008334491.db2.gz RUFNNDCMCRGECR-UHFFFAOYSA-N 1 2 410.518 3.594 20 30 HHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935493 1008479124 /nfs/dbraw/zinc/47/91/24/1008479124.db2.gz ISWHPUDAMFGLKB-BEFAXECRSA-N 1 2 415.896 3.899 20 30 HHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518935493 1008479128 /nfs/dbraw/zinc/47/91/28/1008479128.db2.gz ISWHPUDAMFGLKB-BEFAXECRSA-N 1 2 415.896 3.899 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542964754 1008538033 /nfs/dbraw/zinc/53/80/33/1008538033.db2.gz CIVJRQIRSKONIM-AZUAARDMSA-N 1 2 402.420 3.610 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542964754 1008538048 /nfs/dbraw/zinc/53/80/48/1008538048.db2.gz CIVJRQIRSKONIM-AZUAARDMSA-N 1 2 402.420 3.610 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000519136233 1008557669 /nfs/dbraw/zinc/55/76/69/1008557669.db2.gz VJRURSRTRLCMRA-MBSDFSHPSA-N 1 2 407.514 3.994 20 30 HHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)c1 ZINC000543541718 1009134764 /nfs/dbraw/zinc/13/47/64/1009134764.db2.gz JWFXAUGHZIZXCO-IAGOWNOFSA-N 1 2 419.485 3.731 20 30 HHEDLO COc1cccc(-c2noc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)n2)c1 ZINC000543541719 1009135075 /nfs/dbraw/zinc/13/50/75/1009135075.db2.gz JWFXAUGHZIZXCO-IRXDYDNUSA-N 1 2 419.485 3.731 20 30 HHEDLO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000549657180 1009285316 /nfs/dbraw/zinc/28/53/16/1009285316.db2.gz YCMWHBPOKCOHHD-UHFFFAOYSA-N 1 2 412.925 3.793 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1C ZINC000520606496 1009683394 /nfs/dbraw/zinc/68/33/94/1009683394.db2.gz GWSPHXQJZVCKTQ-UHFFFAOYSA-N 1 2 416.525 3.965 20 30 HHEDLO C[C@@](O)(C1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000547344618 1010262001 /nfs/dbraw/zinc/26/20/01/1010262001.db2.gz FDUBBGBOMNTTIL-GOSISDBHSA-N 1 2 417.859 3.612 20 30 HHEDLO COc1ccc(OC(C)C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000521654565 1010526882 /nfs/dbraw/zinc/52/68/82/1010526882.db2.gz MAURBCIFSWFJEE-UHFFFAOYSA-N 1 2 408.502 3.704 20 30 HHEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CC1 ZINC000521655590 1010527893 /nfs/dbraw/zinc/52/78/93/1010527893.db2.gz LTIKLJCAYOYEIL-OAQYLSRUSA-N 1 2 419.529 3.594 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1 ZINC000545223864 1010691593 /nfs/dbraw/zinc/69/15/93/1010691593.db2.gz IBSZNYSNXZIQMJ-HXUWFJFHSA-N 1 2 411.468 3.575 20 30 HHEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000522164830 1010842782 /nfs/dbraw/zinc/84/27/82/1010842782.db2.gz ZYTKGKFVCNPKFI-UHFFFAOYSA-N 1 2 423.492 3.590 20 30 HHEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000522164830 1010842787 /nfs/dbraw/zinc/84/27/87/1010842787.db2.gz ZYTKGKFVCNPKFI-UHFFFAOYSA-N 1 2 423.492 3.590 20 30 HHEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C(N)=O)cc1 ZINC000522373225 1010964301 /nfs/dbraw/zinc/96/43/01/1010964301.db2.gz OQFDEQYACVQZLI-RUZDIDTESA-N 1 2 421.504 3.786 20 30 HHEDLO Cc1cccc(C[NH+]2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)c1 ZINC000522597531 1011101094 /nfs/dbraw/zinc/10/10/94/1011101094.db2.gz PTYCDLLHEIBECV-UHFFFAOYSA-N 1 2 415.493 3.997 20 30 HHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc2)c1 ZINC000536239246 1011392115 /nfs/dbraw/zinc/39/21/15/1011392115.db2.gz NUIKGELLOOEJFV-FQEVSTJZSA-N 1 2 406.486 3.679 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(Cl)cc2)C1 ZINC000540749678 1011402910 /nfs/dbraw/zinc/40/29/10/1011402910.db2.gz MRYNEMYLRDYYQP-NHCUHLMSSA-N 1 2 409.917 3.697 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccc(Cl)cc2)C1 ZINC000540749678 1011402918 /nfs/dbraw/zinc/40/29/18/1011402918.db2.gz MRYNEMYLRDYYQP-NHCUHLMSSA-N 1 2 409.917 3.697 20 30 HHEDLO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541126031 1011783588 /nfs/dbraw/zinc/78/35/88/1011783588.db2.gz VPTUCTRRLYAVNA-IRXDYDNUSA-N 1 2 401.935 3.616 20 30 HHEDLO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541126031 1011783601 /nfs/dbraw/zinc/78/36/01/1011783601.db2.gz VPTUCTRRLYAVNA-IRXDYDNUSA-N 1 2 401.935 3.616 20 30 HHEDLO CC1(C)C[N@H+](CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1 ZINC000523642746 1012233062 /nfs/dbraw/zinc/23/30/62/1012233062.db2.gz ZUORIXPCNPELNB-UHFFFAOYSA-N 1 2 424.520 3.520 20 30 HHEDLO CC1(C)C[N@@H+](CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CCO1 ZINC000523642746 1012233073 /nfs/dbraw/zinc/23/30/73/1012233073.db2.gz ZUORIXPCNPELNB-UHFFFAOYSA-N 1 2 424.520 3.520 20 30 HHEDLO C[C@@H](NC(=O)c1ccccc1SCc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000552483309 1012509777 /nfs/dbraw/zinc/50/97/77/1012509777.db2.gz CXOYONOOUZPYGY-MSOLQXFVSA-N 1 2 409.555 3.690 20 30 HHEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1Cl ZINC000537162503 1012562089 /nfs/dbraw/zinc/56/20/89/1012562089.db2.gz GLURKYKRNLNNSR-LJQANCHMSA-N 1 2 416.978 3.632 20 30 HHEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccccc1Cl ZINC000537162503 1012562103 /nfs/dbraw/zinc/56/21/03/1012562103.db2.gz GLURKYKRNLNNSR-LJQANCHMSA-N 1 2 416.978 3.632 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542047609 1012954645 /nfs/dbraw/zinc/95/46/45/1012954645.db2.gz OJOUWQPTDVGCTC-PZJWPPBQSA-N 1 2 416.447 3.952 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542047609 1012954653 /nfs/dbraw/zinc/95/46/53/1012954653.db2.gz OJOUWQPTDVGCTC-PZJWPPBQSA-N 1 2 416.447 3.952 20 30 HHEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000524180030 1012978778 /nfs/dbraw/zinc/97/87/78/1012978778.db2.gz MEBIYIORXOLKRA-UHFFFAOYSA-N 1 2 405.926 3.640 20 30 HHEDLO Cc1ccccc1-c1nc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)no1 ZINC000760432366 1072343608 /nfs/dbraw/zinc/34/36/08/1072343608.db2.gz GEVOJDOCASOXCX-UHFFFAOYSA-N 1 2 415.453 3.856 20 30 HHEDLO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000555240562 1073284420 /nfs/dbraw/zinc/28/44/20/1073284420.db2.gz PSNYWVQBHLKTDZ-UHFFFAOYSA-N 1 2 418.545 3.772 20 30 HHEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000555247868 1073289941 /nfs/dbraw/zinc/28/99/41/1073289941.db2.gz ONVWMNSEZHKLJD-UHFFFAOYSA-N 1 2 402.955 3.886 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1SC(F)(F)F ZINC000760913236 1074623149 /nfs/dbraw/zinc/62/31/49/1074623149.db2.gz MCKMECVSHOXYLB-UHFFFAOYSA-N 1 2 408.449 3.896 20 30 HHEDLO N#CCc1ccc(OC[C@H](O)COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000573867693 1074668165 /nfs/dbraw/zinc/66/81/65/1074668165.db2.gz HJAYOOIZENJLIL-NRFANRHFSA-N 1 2 403.482 3.771 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC000574663901 1075300484 /nfs/dbraw/zinc/30/04/84/1075300484.db2.gz YHZWFKSWTKLUFA-UHFFFAOYSA-N 1 2 400.276 3.544 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC000574663901 1075300488 /nfs/dbraw/zinc/30/04/88/1075300488.db2.gz YHZWFKSWTKLUFA-UHFFFAOYSA-N 1 2 400.276 3.544 20 30 HHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C\c3c[nH+]c4ccc(C)cn34)c2)cc1 ZINC000761206883 1075597662 /nfs/dbraw/zinc/59/76/62/1075597662.db2.gz YGWVHQJWCZYBTB-TWGQIWQCSA-N 1 2 405.479 3.886 20 30 HHEDLO CN(C)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)c[nH+]1 ZINC000328602941 569416731 /nfs/dbraw/zinc/41/67/31/569416731.db2.gz DGOXFDYJCCOKEG-LAUBAEHRSA-N 1 2 409.465 3.707 20 30 HHEDLO N#Cc1cc2c(nc1N1CCC3(CC1)COCC[N@H+]3Cc1ccc(F)cc1)CCCC2 ZINC001164671566 719522266 /nfs/dbraw/zinc/52/22/66/719522266.db2.gz GDQDKHRDCUGLMX-UHFFFAOYSA-N 1 2 420.532 3.843 20 30 HHEDLO N#Cc1cc2c(nc1N1CCC3(CC1)COCC[N@@H+]3Cc1ccc(F)cc1)CCCC2 ZINC001164671566 719522271 /nfs/dbraw/zinc/52/22/71/719522271.db2.gz GDQDKHRDCUGLMX-UHFFFAOYSA-N 1 2 420.532 3.843 20 30 HHEDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCN(c2ncccc2C#N)CC1 ZINC000301340739 970876740 /nfs/dbraw/zinc/87/67/40/970876740.db2.gz IAIALTVXWDLZOA-UHFFFAOYSA-N 1 2 415.497 3.622 20 30 HHEDLO Cc1cc(N2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)nc(C(C)C)[nH+]1 ZINC000301368779 970890865 /nfs/dbraw/zinc/89/08/65/970890865.db2.gz UANJHQSUHDQZCG-UHFFFAOYSA-N 1 2 417.473 3.563 20 30 HHEDLO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000302945607 971411359 /nfs/dbraw/zinc/41/13/59/971411359.db2.gz CCRFBNIAFBXXSH-UHFFFAOYSA-N 1 2 418.497 3.807 20 30 HHEDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000303399929 971682391 /nfs/dbraw/zinc/68/23/91/971682391.db2.gz QQCJABVBRKNQIZ-QZTJIDSGSA-N 1 2 416.591 3.504 20 30 HHEDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000303399929 971682397 /nfs/dbraw/zinc/68/23/97/971682397.db2.gz QQCJABVBRKNQIZ-QZTJIDSGSA-N 1 2 416.591 3.504 20 30 HHEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1C(F)(F)F ZINC000303563036 971857234 /nfs/dbraw/zinc/85/72/34/971857234.db2.gz XIKOQZKVSRUQTF-HXUWFJFHSA-N 1 2 414.431 3.505 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000303800216 972037021 /nfs/dbraw/zinc/03/70/21/972037021.db2.gz JMMHWAAJNJCXNO-QFIPXVFZSA-N 1 2 408.933 3.525 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000303800216 972037025 /nfs/dbraw/zinc/03/70/25/972037025.db2.gz JMMHWAAJNJCXNO-QFIPXVFZSA-N 1 2 408.933 3.525 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000010762625 961906116 /nfs/dbraw/zinc/90/61/16/961906116.db2.gz DZYOZIYSGIDYRG-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000010762625 961906118 /nfs/dbraw/zinc/90/61/18/961906118.db2.gz DZYOZIYSGIDYRG-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000542374251 1013328826 /nfs/dbraw/zinc/32/88/26/1013328826.db2.gz FUOHVYJPNXCUIF-QGZVFWFLSA-N 1 2 424.501 3.621 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000542374250 1013329093 /nfs/dbraw/zinc/32/90/93/1013329093.db2.gz FUOHVYJPNXCUIF-KRWDZBQOSA-N 1 2 424.501 3.621 20 30 HHEDLO C=CCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(Cl)s1 ZINC000015411384 962752835 /nfs/dbraw/zinc/75/28/35/962752835.db2.gz KFVKSYPQJBRHCK-UHFFFAOYSA-N 1 2 419.978 3.860 20 30 HHEDLO NC(=[NH+]OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1ccccc1 ZINC000020887365 963399747 /nfs/dbraw/zinc/39/97/47/963399747.db2.gz SEXXZFMGQCCCEU-IBGZPJMESA-N 1 2 422.872 3.948 20 30 HHEDLO C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000024500834 964011152 /nfs/dbraw/zinc/01/11/52/964011152.db2.gz FEXCMJUIVMWFSP-UHFFFAOYSA-N 1 2 407.495 3.711 20 30 HHEDLO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000025511360 964289942 /nfs/dbraw/zinc/28/99/42/964289942.db2.gz FZWKACLNSPEIIP-NRFANRHFSA-N 1 2 420.557 3.851 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000025987913 964410304 /nfs/dbraw/zinc/41/03/04/964410304.db2.gz LXCDJBMWIRDOFT-UHFFFAOYSA-N 1 2 402.420 3.604 20 30 HHEDLO C=CCc1cc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc(OC)c1OC ZINC000051280350 964523219 /nfs/dbraw/zinc/52/32/19/964523219.db2.gz JWKDYSBVZGKNLM-UHFFFAOYSA-N 1 2 406.486 3.617 20 30 HHEDLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@H+](C)Cc3cccc(C#N)c3)nc(=O)c2c1C ZINC000026325380 964525193 /nfs/dbraw/zinc/52/51/93/964525193.db2.gz HATSUAMMDIIMRS-ZDUSSCGKSA-N 1 2 410.499 3.534 20 30 HHEDLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)nc(=O)c2c1C ZINC000026325380 964525201 /nfs/dbraw/zinc/52/52/01/964525201.db2.gz HATSUAMMDIIMRS-ZDUSSCGKSA-N 1 2 410.499 3.534 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3nc(-c4ccco4)cs3)CC2)cc1 ZINC000051621632 964639469 /nfs/dbraw/zinc/63/94/69/964639469.db2.gz RUIAVMGZQRSFKH-UHFFFAOYSA-N 1 2 407.499 3.681 20 30 HHEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000052074308 964799933 /nfs/dbraw/zinc/79/99/33/964799933.db2.gz KDGYGACJFHUPPD-UHFFFAOYSA-N 1 2 400.529 3.951 20 30 HHEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000052074308 964799938 /nfs/dbraw/zinc/79/99/38/964799938.db2.gz KDGYGACJFHUPPD-UHFFFAOYSA-N 1 2 400.529 3.951 20 30 HHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000029686772 965457720 /nfs/dbraw/zinc/45/77/20/965457720.db2.gz IHGMEDKUQUEHTE-OAHLLOKOSA-N 1 2 402.951 3.981 20 30 HHEDLO CSc1nc(C2CC2)cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1C#N ZINC000058414618 965722660 /nfs/dbraw/zinc/72/26/60/965722660.db2.gz BQHCZGPZJNJKCY-UHFFFAOYSA-N 1 2 407.543 3.868 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000055049884 965744315 /nfs/dbraw/zinc/74/43/15/965744315.db2.gz FEONCBYBRPZQTN-FQEVSTJZSA-N 1 2 410.518 3.762 20 30 HHEDLO N#Cc1c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)nc2n1CCS2 ZINC000538035441 1013607027 /nfs/dbraw/zinc/60/70/27/1013607027.db2.gz VIIIBUWTUBGCDM-UHFFFAOYSA-N 1 2 403.511 3.501 20 30 HHEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000031254648 965953747 /nfs/dbraw/zinc/95/37/47/965953747.db2.gz UTLGWSCCJIERPE-QGZVFWFLSA-N 1 2 403.548 3.635 20 30 HHEDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000031254648 965953753 /nfs/dbraw/zinc/95/37/53/965953753.db2.gz UTLGWSCCJIERPE-QGZVFWFLSA-N 1 2 403.548 3.635 20 30 HHEDLO N#CCSCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000033007028 966356819 /nfs/dbraw/zinc/35/68/19/966356819.db2.gz CROMUEUZMXZDDL-UHFFFAOYSA-N 1 2 405.976 3.969 20 30 HHEDLO CC(C)[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc2ccccc2[nH]1 ZINC000043106252 966907168 /nfs/dbraw/zinc/90/71/68/966907168.db2.gz ZRVZMJUXVIZIBI-JOCHJYFZSA-N 1 2 416.529 3.659 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1ccc(C#N)cc1 ZINC000063754189 966947267 /nfs/dbraw/zinc/94/72/67/966947267.db2.gz NXTHAPAAESIFJS-UHFFFAOYSA-N 1 2 406.530 3.554 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1C)Cc1ccc(C#N)cc1 ZINC000063754189 966947274 /nfs/dbraw/zinc/94/72/74/966947274.db2.gz NXTHAPAAESIFJS-UHFFFAOYSA-N 1 2 406.530 3.554 20 30 HHEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccc(C#N)cc1 ZINC000063754482 966947354 /nfs/dbraw/zinc/94/73/54/966947354.db2.gz NJJKEKINSHHLOV-UHFFFAOYSA-N 1 2 404.514 3.570 20 30 HHEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccc(C#N)cc1 ZINC000063754482 966947358 /nfs/dbraw/zinc/94/73/58/966947358.db2.gz NJJKEKINSHHLOV-UHFFFAOYSA-N 1 2 404.514 3.570 20 30 HHEDLO COCC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754166 966947537 /nfs/dbraw/zinc/94/75/37/966947537.db2.gz JFXWQFOJULAYQN-DEOSSOPVSA-N 1 2 419.550 3.974 20 30 HHEDLO COCC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000063754166 966947543 /nfs/dbraw/zinc/94/75/43/966947543.db2.gz JFXWQFOJULAYQN-DEOSSOPVSA-N 1 2 419.550 3.974 20 30 HHEDLO COCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C#N)cc1 ZINC000063754432 966947619 /nfs/dbraw/zinc/94/76/19/966947619.db2.gz NQHJIVDGDCIYSO-UHFFFAOYSA-N 1 2 422.554 3.847 20 30 HHEDLO COCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C#N)cc1 ZINC000063754432 966947627 /nfs/dbraw/zinc/94/76/27/966947627.db2.gz NQHJIVDGDCIYSO-UHFFFAOYSA-N 1 2 422.554 3.847 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)CC2)cc1 ZINC000043548997 966997675 /nfs/dbraw/zinc/99/76/75/966997675.db2.gz NFXNVXZELGXSRD-UHFFFAOYSA-N 1 2 418.497 3.949 20 30 HHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000043755388 967027099 /nfs/dbraw/zinc/02/70/99/967027099.db2.gz ACPMVFGVFZDSHN-MRXNPFEDSA-N 1 2 418.522 3.979 20 30 HHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000043755388 967027100 /nfs/dbraw/zinc/02/71/00/967027100.db2.gz ACPMVFGVFZDSHN-MRXNPFEDSA-N 1 2 418.522 3.979 20 30 HHEDLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1C ZINC000538140007 1013701147 /nfs/dbraw/zinc/70/11/47/1013701147.db2.gz KMYNQWPNZMSZMF-MRXNPFEDSA-N 1 2 404.470 3.678 20 30 HHEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000046530429 967843453 /nfs/dbraw/zinc/84/34/53/967843453.db2.gz ZAMZLKPRXSTUJE-DEOSSOPVSA-N 1 2 413.477 3.776 20 30 HHEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000046530429 967843470 /nfs/dbraw/zinc/84/34/70/967843470.db2.gz ZAMZLKPRXSTUJE-DEOSSOPVSA-N 1 2 413.477 3.776 20 30 HHEDLO C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000065988519 968751884 /nfs/dbraw/zinc/75/18/84/968751884.db2.gz YNAGAUZPJANWKB-UHFFFAOYSA-N 1 2 420.557 3.530 20 30 HHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000097571451 969165224 /nfs/dbraw/zinc/16/52/24/969165224.db2.gz FYJDCETXANWDHS-SFHVURJKSA-N 1 2 418.497 3.942 20 30 HHEDLO CSc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000110266249 969644275 /nfs/dbraw/zinc/64/42/75/969644275.db2.gz IAXJEEWJWBJIAE-UHFFFAOYSA-N 1 2 422.510 3.658 20 30 HHEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000112622661 969818853 /nfs/dbraw/zinc/81/88/53/969818853.db2.gz CRMBPAAVEMKJOH-JOCHJYFZSA-N 1 2 424.545 3.704 20 30 HHEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000112622661 969818857 /nfs/dbraw/zinc/81/88/57/969818857.db2.gz CRMBPAAVEMKJOH-JOCHJYFZSA-N 1 2 424.545 3.704 20 30 HHEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1Br ZINC000554393175 1013931634 /nfs/dbraw/zinc/93/16/34/1013931634.db2.gz IVPNLEONMZCYEL-UHFFFAOYSA-N 1 2 405.321 3.732 20 30 HHEDLO CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000554565004 1013978483 /nfs/dbraw/zinc/97/84/83/1013978483.db2.gz SALQOEDWDOSXEG-UHFFFAOYSA-N 1 2 404.558 3.595 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000261369444 970627952 /nfs/dbraw/zinc/62/79/52/970627952.db2.gz VCIZSXROUWBOPW-GOSISDBHSA-N 1 2 405.498 3.622 20 30 HHEDLO C[C@@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc(C#N)cc1 ZINC000409581010 973030553 /nfs/dbraw/zinc/03/05/53/973030553.db2.gz JBSCGBQCGKALMW-MRXNPFEDSA-N 1 2 413.481 3.574 20 30 HHEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409651036 973101453 /nfs/dbraw/zinc/10/14/53/973101453.db2.gz FZGFZZVYENTYDV-STQMWFEESA-N 1 2 413.444 3.786 20 30 HHEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000409651036 973101462 /nfs/dbraw/zinc/10/14/62/973101462.db2.gz FZGFZZVYENTYDV-STQMWFEESA-N 1 2 413.444 3.786 20 30 HHEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)on2)c1 ZINC000410289062 973818375 /nfs/dbraw/zinc/81/83/75/973818375.db2.gz OFRQDPXKYHLLBH-SFHVURJKSA-N 1 2 401.470 3.766 20 30 HHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000426627087 974571157 /nfs/dbraw/zinc/57/11/57/974571157.db2.gz ZYVJFYIZVMYOQI-CYBMUJFWSA-N 1 2 423.464 3.622 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428722440 976010037 /nfs/dbraw/zinc/01/00/37/976010037.db2.gz HMCIRHIRPPIUPO-KNQAVFIVSA-N 1 2 412.484 3.941 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428722440 976010045 /nfs/dbraw/zinc/01/00/45/976010045.db2.gz HMCIRHIRPPIUPO-KNQAVFIVSA-N 1 2 412.484 3.941 20 30 HHEDLO N#CCCn1ncc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1-c1ccccc1 ZINC000428730834 976015808 /nfs/dbraw/zinc/01/58/08/976015808.db2.gz KPTOACUAGPVVAX-UHFFFAOYSA-N 1 2 410.481 3.639 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Br)ccc3OC(F)F)C2)nc1 ZINC000428770503 976041942 /nfs/dbraw/zinc/04/19/42/976041942.db2.gz FRDOZEVWAFPNBA-HNNXBMFYSA-N 1 2 424.245 3.970 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Br)ccc3OC(F)F)C2)nc1 ZINC000428770503 976041956 /nfs/dbraw/zinc/04/19/56/976041956.db2.gz FRDOZEVWAFPNBA-HNNXBMFYSA-N 1 2 424.245 3.970 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)nc1 ZINC000428800491 976078556 /nfs/dbraw/zinc/07/85/56/976078556.db2.gz CYZVNQXRKRLPHT-JOCHJYFZSA-N 1 2 414.465 3.837 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)nc1 ZINC000428800491 976078570 /nfs/dbraw/zinc/07/85/70/976078570.db2.gz CYZVNQXRKRLPHT-JOCHJYFZSA-N 1 2 414.465 3.837 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000428814575 976093907 /nfs/dbraw/zinc/09/39/07/976093907.db2.gz GUDQBSWNMFBCCX-ZJSXRUAMSA-N 1 2 422.504 3.593 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C2)nc1 ZINC000428814575 976093921 /nfs/dbraw/zinc/09/39/21/976093921.db2.gz GUDQBSWNMFBCCX-ZJSXRUAMSA-N 1 2 422.504 3.593 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429236242 976527650 /nfs/dbraw/zinc/52/76/50/976527650.db2.gz LSPJRJZYPJJEQU-DOTOQJQBSA-N 1 2 401.576 3.964 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429236242 976527660 /nfs/dbraw/zinc/52/76/60/976527660.db2.gz LSPJRJZYPJJEQU-DOTOQJQBSA-N 1 2 401.576 3.964 20 30 HHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000430260231 977427757 /nfs/dbraw/zinc/42/77/57/977427757.db2.gz GHIKFQMYPFDAPK-NRFANRHFSA-N 1 2 403.461 3.621 20 30 HHEDLO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000431162087 978062751 /nfs/dbraw/zinc/06/27/51/978062751.db2.gz QVKFTGCFXGCUMD-QGZVFWFLSA-N 1 2 424.570 3.964 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000431813058 978532054 /nfs/dbraw/zinc/53/20/54/978532054.db2.gz VKUSDFROJOIXRJ-FPOVZHCZSA-N 1 2 405.502 3.530 20 30 HHEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434825139 980425318 /nfs/dbraw/zinc/42/53/18/980425318.db2.gz AVYAVHDGADKOBY-UHFFFAOYSA-N 1 2 420.542 3.651 20 30 HHEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434825139 980425321 /nfs/dbraw/zinc/42/53/21/980425321.db2.gz AVYAVHDGADKOBY-UHFFFAOYSA-N 1 2 420.542 3.651 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000434853955 980448114 /nfs/dbraw/zinc/44/81/14/980448114.db2.gz CJGVHJOCRXHTIW-QFIPXVFZSA-N 1 2 406.461 3.866 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000434853955 980448119 /nfs/dbraw/zinc/44/81/19/980448119.db2.gz CJGVHJOCRXHTIW-QFIPXVFZSA-N 1 2 406.461 3.866 20 30 HHEDLO N#CCCn1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000434985095 980550298 /nfs/dbraw/zinc/55/02/98/980550298.db2.gz FYSAPAVDNQRFKH-UHFFFAOYSA-N 1 2 409.497 3.603 20 30 HHEDLO N#CCCn1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000434985095 980550300 /nfs/dbraw/zinc/55/03/00/980550300.db2.gz FYSAPAVDNQRFKH-UHFFFAOYSA-N 1 2 409.497 3.603 20 30 HHEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC000435553758 980938509 /nfs/dbraw/zinc/93/85/09/980938509.db2.gz IYVXZVUVYVAIFZ-UHFFFAOYSA-N 1 2 403.486 3.567 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000435756893 981018070 /nfs/dbraw/zinc/01/80/70/981018070.db2.gz VYHOJJJBQWGUMU-GOSISDBHSA-N 1 2 409.511 3.849 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000435756893 981018072 /nfs/dbraw/zinc/01/80/72/981018072.db2.gz VYHOJJJBQWGUMU-GOSISDBHSA-N 1 2 409.511 3.849 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000436352857 981319351 /nfs/dbraw/zinc/31/93/51/981319351.db2.gz JVLURSAZEOYDPJ-MOPGFXCFSA-N 1 2 401.426 3.692 20 30 HHEDLO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3cn4ccccc4c3C#N)CC2)cs1 ZINC000437527369 982153268 /nfs/dbraw/zinc/15/32/68/982153268.db2.gz LCSGYLXHJLDAOH-QGZVFWFLSA-N 1 2 409.559 3.683 20 30 HHEDLO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3cn4ccccc4c3C#N)CC2)cs1 ZINC000437527369 982153273 /nfs/dbraw/zinc/15/32/73/982153273.db2.gz LCSGYLXHJLDAOH-QGZVFWFLSA-N 1 2 409.559 3.683 20 30 HHEDLO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3cn4ccccc4c3C#N)CC2)cs1 ZINC000437527368 982153560 /nfs/dbraw/zinc/15/35/60/982153560.db2.gz LCSGYLXHJLDAOH-KRWDZBQOSA-N 1 2 409.559 3.683 20 30 HHEDLO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3cn4ccccc4c3C#N)CC2)cs1 ZINC000437527368 982153567 /nfs/dbraw/zinc/15/35/67/982153567.db2.gz LCSGYLXHJLDAOH-KRWDZBQOSA-N 1 2 409.559 3.683 20 30 HHEDLO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000438668102 982986949 /nfs/dbraw/zinc/98/69/49/982986949.db2.gz MILKTSJYOWXZIX-UHFFFAOYSA-N 1 2 414.465 3.744 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000441042986 984040239 /nfs/dbraw/zinc/04/02/39/984040239.db2.gz GKVZEPOAQDWMDF-OAQYLSRUSA-N 1 2 411.914 3.760 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC000441436009 984251571 /nfs/dbraw/zinc/25/15/71/984251571.db2.gz NKYVTIRXGQKNIF-LJQANCHMSA-N 1 2 403.526 3.721 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC000441436009 984251573 /nfs/dbraw/zinc/25/15/73/984251573.db2.gz NKYVTIRXGQKNIF-LJQANCHMSA-N 1 2 403.526 3.721 20 30 HHEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)ccc1OC(F)(F)F ZINC000442189862 984711246 /nfs/dbraw/zinc/71/12/46/984711246.db2.gz PZJLLVWDTVNQRZ-UHFFFAOYSA-N 1 2 410.421 3.868 20 30 HHEDLO N#Cc1cccnc1-n1cc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cn1 ZINC000462097569 985068331 /nfs/dbraw/zinc/06/83/31/985068331.db2.gz RBOLFUFJBFDJID-UHFFFAOYSA-N 1 2 422.452 3.698 20 30 HHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000462306574 985292174 /nfs/dbraw/zinc/29/21/74/985292174.db2.gz BMJBWLBMHLQSJB-KRWDZBQOSA-N 1 2 414.600 3.941 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463037304 985997248 /nfs/dbraw/zinc/99/72/48/985997248.db2.gz MVHLACAMFGYCFF-QGZVFWFLSA-N 1 2 413.543 3.693 20 30 HHEDLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469030236 986740310 /nfs/dbraw/zinc/74/03/10/986740310.db2.gz QWQDZFWLRHNYTE-GJZGRUSLSA-N 1 2 424.467 3.695 20 30 HHEDLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469030236 986740319 /nfs/dbraw/zinc/74/03/19/986740319.db2.gz QWQDZFWLRHNYTE-GJZGRUSLSA-N 1 2 424.467 3.695 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000445233073 987293172 /nfs/dbraw/zinc/29/31/72/987293172.db2.gz CCXRSVYZBZWMPB-IBGZPJMESA-N 1 2 407.518 3.646 20 30 HHEDLO C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000469752517 987404378 /nfs/dbraw/zinc/40/43/78/987404378.db2.gz NDUGNKOSNJURCT-RLHVNXBHSA-N 1 2 407.518 3.737 20 30 HHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000470269193 988219360 /nfs/dbraw/zinc/21/93/60/988219360.db2.gz UEZVDNLKVYLQRH-HXUWFJFHSA-N 1 2 400.482 3.891 20 30 HHEDLO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nnc1-c1ccc(OC)cc1 ZINC000470449499 988428590 /nfs/dbraw/zinc/42/85/90/988428590.db2.gz IGZQMZZTSAMNOR-UHFFFAOYSA-N 1 2 415.607 3.648 20 30 HHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[N@H+]1CCOC[C@H]1C ZINC000470455313 988438396 /nfs/dbraw/zinc/43/83/96/988438396.db2.gz JBQOCDCMTQGRMW-OAHLLOKOSA-N 1 2 408.955 3.509 20 30 HHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[N@@H+]1CCOC[C@H]1C ZINC000470455313 988438403 /nfs/dbraw/zinc/43/84/03/988438403.db2.gz JBQOCDCMTQGRMW-OAHLLOKOSA-N 1 2 408.955 3.509 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000464582831 988761309 /nfs/dbraw/zinc/76/13/09/988761309.db2.gz ACGVCWCXEPBMIE-IRXDYDNUSA-N 1 2 417.575 3.931 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000464582831 988761310 /nfs/dbraw/zinc/76/13/10/988761310.db2.gz ACGVCWCXEPBMIE-IRXDYDNUSA-N 1 2 417.575 3.931 20 30 HHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCS1 ZINC000464792625 989024095 /nfs/dbraw/zinc/02/40/95/989024095.db2.gz XBYDCMUIJHOOOX-IBGZPJMESA-N 1 2 414.550 3.930 20 30 HHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)CCS1 ZINC000464792625 989024116 /nfs/dbraw/zinc/02/41/16/989024116.db2.gz XBYDCMUIJHOOOX-IBGZPJMESA-N 1 2 414.550 3.930 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000470992464 989057159 /nfs/dbraw/zinc/05/71/59/989057159.db2.gz HYJBSWDSPJKRPR-ROUUACIJSA-N 1 2 416.543 3.543 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000470992464 989057165 /nfs/dbraw/zinc/05/71/65/989057165.db2.gz HYJBSWDSPJKRPR-ROUUACIJSA-N 1 2 416.543 3.543 20 30 HHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000471019072 989090127 /nfs/dbraw/zinc/09/01/27/989090127.db2.gz QPWWJWAHJDKWTQ-HNNXBMFYSA-N 1 2 411.802 3.736 20 30 HHEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000471700335 989903086 /nfs/dbraw/zinc/90/30/86/989903086.db2.gz ADDVRIDQYAUNFP-UHFFFAOYSA-N 1 2 404.363 3.630 20 30 HHEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000471751661 989946254 /nfs/dbraw/zinc/94/62/54/989946254.db2.gz TWLANIHCOVIDHD-WIYYLYMNSA-N 1 2 424.907 3.986 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000465714343 990100034 /nfs/dbraw/zinc/10/00/34/990100034.db2.gz DUAJJDHIUPRJHZ-FPOVZHCZSA-N 1 2 403.461 3.993 20 30 HHEDLO N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000465880242 990999757 /nfs/dbraw/zinc/99/97/57/990999757.db2.gz RZWFBYORPZRFGV-GOSISDBHSA-N 1 2 418.875 3.954 20 30 HHEDLO N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000465880242 990999766 /nfs/dbraw/zinc/99/97/66/990999766.db2.gz RZWFBYORPZRFGV-GOSISDBHSA-N 1 2 418.875 3.954 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000467196997 992521022 /nfs/dbraw/zinc/52/10/22/992521022.db2.gz SSNFROFYMHGGFH-HXUWFJFHSA-N 1 2 407.562 3.961 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000467196997 992521030 /nfs/dbraw/zinc/52/10/30/992521030.db2.gz SSNFROFYMHGGFH-HXUWFJFHSA-N 1 2 407.562 3.961 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472427701 993427496 /nfs/dbraw/zinc/42/74/96/993427496.db2.gz SGLLRBUZWWPVFU-YYWHXJBOSA-N 1 2 410.880 3.595 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472427701 993427499 /nfs/dbraw/zinc/42/74/99/993427499.db2.gz SGLLRBUZWWPVFU-YYWHXJBOSA-N 1 2 410.880 3.595 20 30 HHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000473568750 994436308 /nfs/dbraw/zinc/43/63/08/994436308.db2.gz MLKLVADVHNAZGJ-JOCHJYFZSA-N 1 2 419.916 3.857 20 30 HHEDLO C=C(C)[C@@H]([NH2+]CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)c1ccc(F)c(F)c1 ZINC000481596387 994444352 /nfs/dbraw/zinc/44/43/52/994444352.db2.gz JZWWWNAQXKSBFB-JOCHJYFZSA-N 1 2 415.484 3.852 20 30 HHEDLO C=CCCC1(C(=O)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)CC1 ZINC000474431816 995394878 /nfs/dbraw/zinc/39/48/78/995394878.db2.gz LHJZTLMXASNVOY-UHFFFAOYSA-N 1 2 400.548 3.621 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)C2 ZINC000474697655 995638871 /nfs/dbraw/zinc/63/88/71/995638871.db2.gz LYVLWXOPHZIWJF-DYVFJYSZSA-N 1 2 401.308 3.782 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)CC2 ZINC000474697655 995638874 /nfs/dbraw/zinc/63/88/74/995638874.db2.gz LYVLWXOPHZIWJF-DYVFJYSZSA-N 1 2 401.308 3.782 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000483276647 996075994 /nfs/dbraw/zinc/07/59/94/996075994.db2.gz ADVWWBDUXITBSH-KRWDZBQOSA-N 1 2 401.470 3.574 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2nc3c(s2)CCCC3)c(OC)c1 ZINC000475749171 996347164 /nfs/dbraw/zinc/34/71/64/996347164.db2.gz PIAICTPNHQOTJS-QGZVFWFLSA-N 1 2 402.560 3.631 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2nc3c(s2)CCCC3)c(OC)c1 ZINC000475749171 996347171 /nfs/dbraw/zinc/34/71/71/996347171.db2.gz PIAICTPNHQOTJS-QGZVFWFLSA-N 1 2 402.560 3.631 20 30 HHEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000476530306 997019353 /nfs/dbraw/zinc/01/93/53/997019353.db2.gz FROPCGIYDRHNGM-AEFFLSMTSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)cc1 ZINC000476530306 997019365 /nfs/dbraw/zinc/01/93/65/997019365.db2.gz FROPCGIYDRHNGM-AEFFLSMTSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000476530461 997019761 /nfs/dbraw/zinc/01/97/61/997019761.db2.gz FFFYTCDKRMANEL-NHCUHLMSSA-N 1 2 411.933 3.943 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000476530461 997019770 /nfs/dbraw/zinc/01/97/70/997019770.db2.gz FFFYTCDKRMANEL-NHCUHLMSSA-N 1 2 411.933 3.943 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000484993424 997355464 /nfs/dbraw/zinc/35/54/64/997355464.db2.gz NKKOPAJOQZOPTK-FQEVSTJZSA-N 1 2 401.432 3.939 20 30 HHEDLO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)ccc1F ZINC000485306386 997714111 /nfs/dbraw/zinc/71/41/11/997714111.db2.gz VJTWROSNGKJYRE-MGPUTAFESA-N 1 2 419.460 3.902 20 30 HHEDLO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(-c2cccc(F)c2)no1 ZINC000485326268 997739473 /nfs/dbraw/zinc/73/94/73/997739473.db2.gz ZQACUPAJTQTLNB-LIRRHRJNSA-N 1 2 405.433 3.594 20 30 HHEDLO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000485789427 998260139 /nfs/dbraw/zinc/26/01/39/998260139.db2.gz RAFKNRLGCLZUKP-WMZHIEFXSA-N 1 2 416.468 3.642 20 30 HHEDLO C=CCc1ccc(OCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(OC)c1 ZINC000485789427 998260142 /nfs/dbraw/zinc/26/01/42/998260142.db2.gz RAFKNRLGCLZUKP-WMZHIEFXSA-N 1 2 416.468 3.642 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000477586433 998303748 /nfs/dbraw/zinc/30/37/48/998303748.db2.gz JUWGEZRORYTZAL-IBGZPJMESA-N 1 2 409.530 3.848 20 30 HHEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000486452553 998776323 /nfs/dbraw/zinc/77/63/23/998776323.db2.gz QMDJLNHIXKEJSF-QFIPXVFZSA-N 1 2 417.469 3.809 20 30 HHEDLO COc1ccc(CCC2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000478433154 998955302 /nfs/dbraw/zinc/95/53/02/998955302.db2.gz QRPQBDKXOOPCGY-UHFFFAOYSA-N 1 2 412.555 3.685 20 30 HHEDLO COc1ccc(C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000487383625 999154942 /nfs/dbraw/zinc/15/49/42/999154942.db2.gz ZOYXSXZWUXVZJL-FQEVSTJZSA-N 1 2 412.555 3.686 20 30 HHEDLO COc1ccc(C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000487383625 999154945 /nfs/dbraw/zinc/15/49/45/999154945.db2.gz ZOYXSXZWUXVZJL-FQEVSTJZSA-N 1 2 412.555 3.686 20 30 HHEDLO Cc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000479244925 999343671 /nfs/dbraw/zinc/34/36/71/999343671.db2.gz NLPWXVTWOGNXAR-UHFFFAOYSA-N 1 2 403.526 3.941 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCO1 ZINC000488360621 999456255 /nfs/dbraw/zinc/45/62/55/999456255.db2.gz WWCLNWOHRRRRPB-IBGZPJMESA-N 1 2 424.501 3.591 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CCO1 ZINC000488360621 999456256 /nfs/dbraw/zinc/45/62/56/999456256.db2.gz WWCLNWOHRRRRPB-IBGZPJMESA-N 1 2 424.501 3.591 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479774893 999585253 /nfs/dbraw/zinc/58/52/53/999585253.db2.gz CGYUPDARTQYOKI-PZJWPPBQSA-N 1 2 401.457 3.774 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000479774893 999585261 /nfs/dbraw/zinc/58/52/61/999585261.db2.gz CGYUPDARTQYOKI-PZJWPPBQSA-N 1 2 401.457 3.774 20 30 HHEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000489974846 999871493 /nfs/dbraw/zinc/87/14/93/999871493.db2.gz BJKMUCXUSQKRQG-HNNXBMFYSA-N 1 2 407.430 3.906 20 30 HHEDLO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000490071418 999888849 /nfs/dbraw/zinc/88/88/49/999888849.db2.gz JTOCIRWMCJSUKN-NSHDSACASA-N 1 2 420.420 3.509 20 30 HHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)CCCC2 ZINC000494783011 1000653944 /nfs/dbraw/zinc/65/39/44/1000653944.db2.gz ONDHFQWJSTYBHV-HTAPYJJXSA-N 1 2 421.545 3.521 20 30 HHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1)CCCC2 ZINC000494783011 1000653950 /nfs/dbraw/zinc/65/39/50/1000653950.db2.gz ONDHFQWJSTYBHV-HTAPYJJXSA-N 1 2 421.545 3.521 20 30 HHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1)CCCC2 ZINC000495051497 1000800218 /nfs/dbraw/zinc/80/02/18/1000800218.db2.gz WNENDWQVUIDVIH-DENIHFKCSA-N 1 2 418.541 3.803 20 30 HHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CC[C@@H]1c1ccccc1)CCCC2 ZINC000495051497 1000800227 /nfs/dbraw/zinc/80/02/27/1000800227.db2.gz WNENDWQVUIDVIH-DENIHFKCSA-N 1 2 418.541 3.803 20 30 HHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1 ZINC000505475964 1000800924 /nfs/dbraw/zinc/80/09/24/1000800924.db2.gz HRMOSBJGOOAXIV-NRFANRHFSA-N 1 2 402.429 3.671 20 30 HHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)cc1 ZINC000505578785 1000918111 /nfs/dbraw/zinc/91/81/11/1000918111.db2.gz KXUVCQGRTIAWIG-NRFANRHFSA-N 1 2 400.507 3.891 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000505643531 1000951175 /nfs/dbraw/zinc/95/11/75/1000951175.db2.gz DWQGXXLBPUNBAS-NHCUHLMSSA-N 1 2 411.933 3.959 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000505643531 1000951185 /nfs/dbraw/zinc/95/11/85/1000951185.db2.gz DWQGXXLBPUNBAS-NHCUHLMSSA-N 1 2 411.933 3.959 20 30 HHEDLO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCC(C)(C#N)CC3)cc2)cc1 ZINC000506040542 1001183836 /nfs/dbraw/zinc/18/38/36/1001183836.db2.gz CJSFJEMSBUURTO-UHFFFAOYSA-N 1 2 420.513 3.902 20 30 HHEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OCC(F)(F)F ZINC000506087152 1001212420 /nfs/dbraw/zinc/21/24/20/1001212420.db2.gz SPPGMWQUVJFHGQ-UHFFFAOYSA-N 1 2 419.447 3.826 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC2)c(F)c1 ZINC000507164539 1001852869 /nfs/dbraw/zinc/85/28/69/1001852869.db2.gz JZZUZOSTKYUDKS-UHFFFAOYSA-N 1 2 418.472 3.543 20 30 HHEDLO CCCCCC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000498687002 1002074238 /nfs/dbraw/zinc/07/42/38/1002074238.db2.gz ZBXIHQIFCXGZKD-HNNXBMFYSA-N 1 2 416.591 3.596 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[NH2+]C2(c3noc(C)n3)CCCCCC2)c(OC)c1 ZINC000507711918 1002302396 /nfs/dbraw/zinc/30/23/96/1002302396.db2.gz WZTCYBSDCLPBFU-LJQANCHMSA-N 1 2 415.534 3.694 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499270514 1002675846 /nfs/dbraw/zinc/67/58/46/1002675846.db2.gz CSTHLUNTLKWLFV-HXUWFJFHSA-N 1 2 404.413 3.621 20 30 HHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000499270514 1002675851 /nfs/dbraw/zinc/67/58/51/1002675851.db2.gz CSTHLUNTLKWLFV-HXUWFJFHSA-N 1 2 404.413 3.621 20 30 HHEDLO C=CCc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc(OC)c1O ZINC000508613361 1003067450 /nfs/dbraw/zinc/06/74/50/1003067450.db2.gz DIPRRJWIHKJUKI-UHFFFAOYSA-N 1 2 420.469 3.571 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000508643400 1003091533 /nfs/dbraw/zinc/09/15/33/1003091533.db2.gz IJCCMUCROOQYIY-UHFFFAOYSA-N 1 2 418.482 3.647 20 30 HHEDLO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508810943 1003236968 /nfs/dbraw/zinc/23/69/68/1003236968.db2.gz FOGGPWREJDATFM-QFBILLFUSA-N 1 2 401.942 3.537 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(Cl)cc2)C1 ZINC000499934161 1003256611 /nfs/dbraw/zinc/25/66/11/1003256611.db2.gz VTCUIDGSVAMWOL-RBUKOAKNSA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(Cl)cc2)C1 ZINC000499934161 1003256619 /nfs/dbraw/zinc/25/66/19/1003256619.db2.gz VTCUIDGSVAMWOL-RBUKOAKNSA-N 1 2 402.857 3.544 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499942218 1003265710 /nfs/dbraw/zinc/26/57/10/1003265710.db2.gz XXJTUEOBUHXJPH-DYVFJYSZSA-N 1 2 421.925 3.993 20 30 HHEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000508888673 1003314513 /nfs/dbraw/zinc/31/45/13/1003314513.db2.gz OQFLMRWILBQSPO-UHFFFAOYSA-N 1 2 401.530 3.523 20 30 HHEDLO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508932230 1003379227 /nfs/dbraw/zinc/37/92/27/1003379227.db2.gz SIHYTYIPONGPRY-UHFFFAOYSA-N 1 2 407.518 3.575 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)cc1 ZINC000500139955 1003498980 /nfs/dbraw/zinc/49/89/80/1003498980.db2.gz OSLOAGBEGAQDNI-UHFFFAOYSA-N 1 2 406.910 3.946 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000509242493 1003649242 /nfs/dbraw/zinc/64/92/42/1003649242.db2.gz AWZSQLJVJFJZBR-JQVVWYNYSA-N 1 2 413.562 3.573 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000509242493 1003649252 /nfs/dbraw/zinc/64/92/52/1003649252.db2.gz AWZSQLJVJFJZBR-JQVVWYNYSA-N 1 2 413.562 3.573 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000512198002 1004099405 /nfs/dbraw/zinc/09/94/05/1004099405.db2.gz RXTAXMWBFGEENG-AWEZNQCLSA-N 1 2 407.308 3.940 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000512198002 1004099413 /nfs/dbraw/zinc/09/94/13/1004099413.db2.gz RXTAXMWBFGEENG-AWEZNQCLSA-N 1 2 407.308 3.940 20 30 HHEDLO C=CCn1c2nnc(SCc3[nH+]cc(C)c(OC)c3C)n2c2ccccc2c1=O ZINC000509965476 1004236198 /nfs/dbraw/zinc/23/61/98/1004236198.db2.gz BONSQFBDYKCECC-UHFFFAOYSA-N 1 2 407.499 3.543 20 30 HHEDLO Cc1ncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)n1-c1ccccc1 ZINC000512419926 1004286574 /nfs/dbraw/zinc/28/65/74/1004286574.db2.gz FFRYPLOAXANQCW-UHFFFAOYSA-N 1 2 408.509 3.923 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000512547661 1004375749 /nfs/dbraw/zinc/37/57/49/1004375749.db2.gz QTCVJQSQKQAYAB-SFHVURJKSA-N 1 2 412.534 3.964 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000512547661 1004375756 /nfs/dbraw/zinc/37/57/56/1004375756.db2.gz QTCVJQSQKQAYAB-SFHVURJKSA-N 1 2 412.534 3.964 20 30 HHEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000501449606 1004429233 /nfs/dbraw/zinc/42/92/33/1004429233.db2.gz UUVRVBDMCWGSDQ-QGZVFWFLSA-N 1 2 422.710 3.578 20 30 HHEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000501449606 1004429239 /nfs/dbraw/zinc/42/92/39/1004429239.db2.gz UUVRVBDMCWGSDQ-QGZVFWFLSA-N 1 2 422.710 3.578 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c(F)c1 ZINC000512811551 1004573842 /nfs/dbraw/zinc/57/38/42/1004573842.db2.gz HUXCRJVRLBOLQF-QFIPXVFZSA-N 1 2 411.452 3.700 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512817856 1004577733 /nfs/dbraw/zinc/57/77/33/1004577733.db2.gz NUYIUNSHZGXCER-CYBMUJFWSA-N 1 2 403.404 3.846 20 30 HHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)c1C#N ZINC000513266138 1004886253 /nfs/dbraw/zinc/88/62/53/1004886253.db2.gz IYOHQNVXJOWJMC-AWEZNQCLSA-N 1 2 409.440 3.928 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)c1C#N ZINC000513275120 1004891295 /nfs/dbraw/zinc/89/12/95/1004891295.db2.gz AWXOBZAAKAQSIU-ZDUSSCGKSA-N 1 2 413.428 3.580 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](c2nncn2C)C(C)C)c1C#N ZINC000510970362 1004959283 /nfs/dbraw/zinc/95/92/83/1004959283.db2.gz SKRHPBJCZAOVCQ-FQEVSTJZSA-N 1 2 411.554 3.536 20 30 HHEDLO N#Cc1cccc(OC2CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)c1 ZINC000511223283 1005080634 /nfs/dbraw/zinc/08/06/34/1005080634.db2.gz QVCTYWRNSHLDQA-UHFFFAOYSA-N 1 2 415.497 3.556 20 30 HHEDLO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)cs2)c1C ZINC000502503025 1005094526 /nfs/dbraw/zinc/09/45/26/1005094526.db2.gz BOWPVYUJKXNUJZ-UHFFFAOYSA-N 1 2 417.538 3.682 20 30 HHEDLO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)cs2)c1C ZINC000502503025 1005094532 /nfs/dbraw/zinc/09/45/32/1005094532.db2.gz BOWPVYUJKXNUJZ-UHFFFAOYSA-N 1 2 417.538 3.682 20 30 HHEDLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502540051 1005109384 /nfs/dbraw/zinc/10/93/84/1005109384.db2.gz JMYWRZRBFSRBSD-QGZVFWFLSA-N 1 2 403.482 3.770 20 30 HHEDLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502540051 1005109387 /nfs/dbraw/zinc/10/93/87/1005109387.db2.gz JMYWRZRBFSRBSD-QGZVFWFLSA-N 1 2 403.482 3.770 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000511389343 1005152866 /nfs/dbraw/zinc/15/28/66/1005152866.db2.gz BWPBSUJJLCJKQD-ISKFKSNPSA-N 1 2 418.541 3.553 20 30 HHEDLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)c(F)c1 ZINC000503266588 1005380564 /nfs/dbraw/zinc/38/05/64/1005380564.db2.gz HARTZQCTINJCOA-UHFFFAOYSA-N 1 2 410.312 3.660 20 30 HHEDLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(C#N)c(F)c1 ZINC000503266588 1005380567 /nfs/dbraw/zinc/38/05/67/1005380567.db2.gz HARTZQCTINJCOA-UHFFFAOYSA-N 1 2 410.312 3.660 20 30 HHEDLO C=CCOc1cc(OC)ccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000504215078 1005574737 /nfs/dbraw/zinc/57/47/37/1005574737.db2.gz GBEZWDPSRSVSMG-NRFANRHFSA-N 1 2 407.470 3.884 20 30 HHEDLO C=CCOc1cc(OC)ccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000504215078 1005574739 /nfs/dbraw/zinc/57/47/39/1005574739.db2.gz GBEZWDPSRSVSMG-NRFANRHFSA-N 1 2 407.470 3.884 20 30 HHEDLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000504227411 1005577594 /nfs/dbraw/zinc/57/75/94/1005577594.db2.gz WYNCVKUTMJEDSU-MHECFPHRSA-N 1 2 403.526 3.903 20 30 HHEDLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000504227411 1005577596 /nfs/dbraw/zinc/57/75/96/1005577596.db2.gz WYNCVKUTMJEDSU-MHECFPHRSA-N 1 2 403.526 3.903 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000504363584 1005607401 /nfs/dbraw/zinc/60/74/01/1005607401.db2.gz GYDHPHSLDAAWQZ-GOTSBHOMSA-N 1 2 414.509 3.985 20 30 HHEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1[C@H]1COc2ccccc2O1 ZINC000534519146 1006515324 /nfs/dbraw/zinc/51/53/24/1006515324.db2.gz XOKAHEXEJDCTBX-LJQANCHMSA-N 1 2 410.499 3.981 20 30 HHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000534777908 1006776577 /nfs/dbraw/zinc/77/65/77/1006776577.db2.gz SJJBLWYFTLEAJN-FQEVSTJZSA-N 1 2 406.486 3.679 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000534859873 1006882826 /nfs/dbraw/zinc/88/28/26/1006882826.db2.gz BUZAMYFFOHVUJC-QGZVFWFLSA-N 1 2 409.559 3.991 20 30 HHEDLO CCCCn1c2nc(C[N@H+](CC)[C@H](C)c3ccc(C#N)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000533248404 1007567690 /nfs/dbraw/zinc/56/76/90/1007567690.db2.gz JGWULUXPKXXMEH-MRXNPFEDSA-N 1 2 422.533 3.573 20 30 HHEDLO CCCCn1c2nc(C[N@@H+](CC)[C@H](C)c3ccc(C#N)cc3)n(CC)c2c(=O)[nH]c1=O ZINC000533248404 1007567700 /nfs/dbraw/zinc/56/77/00/1007567700.db2.gz JGWULUXPKXXMEH-MRXNPFEDSA-N 1 2 422.533 3.573 20 30 HHEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](NC(=O)c4ccc5ccccc5c4)C3)n2c1 ZINC000535820568 1007832949 /nfs/dbraw/zinc/83/29/49/1007832949.db2.gz DBWOTARLPNMYRI-JOCHJYFZSA-N 1 2 409.493 3.754 20 30 HHEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](NC(=O)c4ccc5ccccc5c4)C3)n2c1 ZINC000535820568 1007832953 /nfs/dbraw/zinc/83/29/53/1007832953.db2.gz DBWOTARLPNMYRI-JOCHJYFZSA-N 1 2 409.493 3.754 20 30 HHEDLO N#Cc1cc2c(nc1SCC(=O)Nc1nc(C[NH+]3CCCC3)cs1)CCCC2 ZINC000517659269 1007871472 /nfs/dbraw/zinc/87/14/72/1007871472.db2.gz CINSPYIJXFGCPT-UHFFFAOYSA-N 1 2 413.572 3.615 20 30 HHEDLO N#Cc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1OCC(F)(F)F ZINC000536012801 1008054229 /nfs/dbraw/zinc/05/42/29/1008054229.db2.gz USQTUGFXGFRGIY-UHFFFAOYSA-N 1 2 424.448 3.911 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(Cl)c(C#N)c3)CCCC2)no1 ZINC000540466547 1008442179 /nfs/dbraw/zinc/44/21/79/1008442179.db2.gz KHNTXXBBBANQDC-UHFFFAOYSA-N 1 2 401.898 3.636 20 30 HHEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000545506447 1008608647 /nfs/dbraw/zinc/60/86/47/1008608647.db2.gz GHAZAEYVUKPLJQ-IBGZPJMESA-N 1 2 411.509 3.769 20 30 HHEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1cccc(C#N)c1 ZINC000519871090 1009042043 /nfs/dbraw/zinc/04/20/43/1009042043.db2.gz WBELFMBPGMKVQM-VWLOTQADSA-N 1 2 419.525 3.831 20 30 HHEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1cccc(C#N)c1 ZINC000519871090 1009042061 /nfs/dbraw/zinc/04/20/61/1009042061.db2.gz WBELFMBPGMKVQM-VWLOTQADSA-N 1 2 419.525 3.831 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546074170 1009097044 /nfs/dbraw/zinc/09/70/44/1009097044.db2.gz NYSQQICVBBLQEX-QZTJIDSGSA-N 1 2 413.946 3.618 20 30 HHEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546074170 1009097057 /nfs/dbraw/zinc/09/70/57/1009097057.db2.gz NYSQQICVBBLQEX-QZTJIDSGSA-N 1 2 413.946 3.618 20 30 HHEDLO Cc1nc(N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)cc[nH+]1 ZINC000546110553 1009134290 /nfs/dbraw/zinc/13/42/90/1009134290.db2.gz NUBCUNYYRUQRGU-UHFFFAOYSA-N 1 2 413.481 3.720 20 30 HHEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000543549198 1009150625 /nfs/dbraw/zinc/15/06/25/1009150625.db2.gz OBSGMTOYYPHCKP-INIZCTEOSA-N 1 2 408.893 3.518 20 30 HHEDLO Cc1cnc(-c2cccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)o1 ZINC000520195652 1009335476 /nfs/dbraw/zinc/33/54/76/1009335476.db2.gz GSENEXFKAMTNKA-UHFFFAOYSA-N 1 2 401.470 3.871 20 30 HHEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CC1 ZINC000521655589 1010527829 /nfs/dbraw/zinc/52/78/29/1010527829.db2.gz LTIKLJCAYOYEIL-NRFANRHFSA-N 1 2 419.529 3.594 20 30 HHEDLO O=C1[C@H]([NH+]2CCN(CC#Cc3cccc(Cl)c3)CC2)CCCN1Cc1ccccc1 ZINC000551396200 1010559479 /nfs/dbraw/zinc/55/94/79/1010559479.db2.gz YRTSUGREZAFBDC-XMMPIXPASA-N 1 2 421.972 3.500 20 30 HHEDLO CC[NH+](CC)CCOc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000545152595 1010651437 /nfs/dbraw/zinc/65/14/37/1010651437.db2.gz LEQCFPCWUBVLAV-UHFFFAOYSA-N 1 2 407.923 3.733 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000548865351 1010747797 /nfs/dbraw/zinc/74/77/97/1010747797.db2.gz CCRLFAQDOMKTRI-GOSISDBHSA-N 1 2 414.431 3.763 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000545396902 1010771631 /nfs/dbraw/zinc/77/16/31/1010771631.db2.gz ARCBATHIMQKSSQ-UHFFFAOYSA-N 1 2 410.493 3.546 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000545396902 1010771633 /nfs/dbraw/zinc/77/16/33/1010771633.db2.gz ARCBATHIMQKSSQ-UHFFFAOYSA-N 1 2 410.493 3.546 20 30 HHEDLO N#Cc1cccc(OCc2cccc(C(=O)NCCc3cn4c([nH+]3)CCCC4)c2)c1 ZINC000522320876 1010928448 /nfs/dbraw/zinc/92/84/48/1010928448.db2.gz PSGROJPNTYXWET-UHFFFAOYSA-N 1 2 400.482 3.643 20 30 HHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2)c1 ZINC000536239275 1011391687 /nfs/dbraw/zinc/39/16/87/1011391687.db2.gz NUIKGELLOOEJFV-HXUWFJFHSA-N 1 2 406.486 3.679 20 30 HHEDLO C=CCN1CC[C@@H](Sc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)C1=O ZINC000540768418 1011424661 /nfs/dbraw/zinc/42/46/61/1011424661.db2.gz IHOVZYPBSLDNRE-IEBWSBKVSA-N 1 2 411.575 3.693 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000536349887 1011556847 /nfs/dbraw/zinc/55/68/47/1011556847.db2.gz LMHCWBVRLLKVPP-PMACEKPBSA-N 1 2 424.932 3.641 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000536349887 1011556853 /nfs/dbraw/zinc/55/68/53/1011556853.db2.gz LMHCWBVRLLKVPP-PMACEKPBSA-N 1 2 424.932 3.641 20 30 HHEDLO C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541092860 1011737361 /nfs/dbraw/zinc/73/73/61/1011737361.db2.gz OCJZWEHRCSQPFX-FHWLQOOXSA-N 1 2 406.530 3.695 20 30 HHEDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105123 1011752534 /nfs/dbraw/zinc/75/25/34/1011752534.db2.gz VXPYBEWLTYEUSP-GOSISDBHSA-N 1 2 406.530 3.696 20 30 HHEDLO C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105123 1011752547 /nfs/dbraw/zinc/75/25/47/1011752547.db2.gz VXPYBEWLTYEUSP-GOSISDBHSA-N 1 2 406.530 3.696 20 30 HHEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000523286647 1011766612 /nfs/dbraw/zinc/76/66/12/1011766612.db2.gz GBSKOTYNQGQTQZ-UHFFFAOYSA-N 1 2 412.449 3.905 20 30 HHEDLO Cc1ccnc(OC2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)c1 ZINC000541121560 1011776019 /nfs/dbraw/zinc/77/60/19/1011776019.db2.gz NLUVWYIMUFHBLM-UHFFFAOYSA-N 1 2 412.921 3.834 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541128176 1011785782 /nfs/dbraw/zinc/78/57/82/1011785782.db2.gz SKOHOUXWMSNIEW-AWEZNQCLSA-N 1 2 423.464 3.793 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541128176 1011785787 /nfs/dbraw/zinc/78/57/87/1011785787.db2.gz SKOHOUXWMSNIEW-AWEZNQCLSA-N 1 2 423.464 3.793 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000536675074 1011835117 /nfs/dbraw/zinc/83/51/17/1011835117.db2.gz LPJJCINDJNDRSH-BBRMVZONSA-N 1 2 424.257 3.910 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000536675074 1011835136 /nfs/dbraw/zinc/83/51/36/1011835136.db2.gz LPJJCINDJNDRSH-BBRMVZONSA-N 1 2 424.257 3.910 20 30 HHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000552313463 1012324373 /nfs/dbraw/zinc/32/43/73/1012324373.db2.gz GTELNBIGPZJNDI-RXVVDRJESA-N 1 2 405.498 3.594 20 30 HHEDLO CC(C)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(=O)OC(C)(C)C ZINC000541652122 1012475757 /nfs/dbraw/zinc/47/57/57/1012475757.db2.gz ORVXFSJREVLCHQ-SFHVURJKSA-N 1 2 405.564 3.783 20 30 HHEDLO CCOCC[NH+]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC000523948253 1012688205 /nfs/dbraw/zinc/68/82/05/1012688205.db2.gz QCRLNOPKTFJODW-UHFFFAOYSA-N 1 2 413.905 3.798 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(CC#N)CC2)c1C#N ZINC000541948688 1012809444 /nfs/dbraw/zinc/80/94/44/1012809444.db2.gz JMOVLFVPHZEQDX-UHFFFAOYSA-N 1 2 407.493 3.728 20 30 HHEDLO C[C@@H]([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542015378 1012903076 /nfs/dbraw/zinc/90/30/76/1012903076.db2.gz KGEFEYOSFBAPJO-MRXNPFEDSA-N 1 2 416.506 3.898 20 30 HHEDLO c1ccc(C(=Nc2ncc(N[C@@H]3CCC[N@@H+](C4COC4)C3)cn2)c2ccccc2)cc1 ZINC001168374043 1072111781 /nfs/dbraw/zinc/11/17/81/1072111781.db2.gz KQRPDIZWRYFQJB-OAQYLSRUSA-N 1 2 413.525 3.921 20 30 HHEDLO c1ccc(C(=Nc2ncc(N[C@@H]3CCC[N@H+](C4COC4)C3)cn2)c2ccccc2)cc1 ZINC001168374043 1072111784 /nfs/dbraw/zinc/11/17/84/1072111784.db2.gz KQRPDIZWRYFQJB-OAQYLSRUSA-N 1 2 413.525 3.921 20 30 HHEDLO Cc1ncsc1-c1nc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)no1 ZINC000760433729 1072344658 /nfs/dbraw/zinc/34/46/58/1072344658.db2.gz SEZMOQQSOWPEDW-UHFFFAOYSA-N 1 2 421.482 3.918 20 30 HHEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc3c2C[N@H+](CCCC)C3)c1 ZINC000567173269 1072857757 /nfs/dbraw/zinc/85/77/57/1072857757.db2.gz UBOALUBHXCHCPL-UHFFFAOYSA-N 1 2 413.543 3.519 20 30 HHEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc3c2C[N@@H+](CCCC)C3)c1 ZINC000567173269 1072857768 /nfs/dbraw/zinc/85/77/68/1072857768.db2.gz UBOALUBHXCHCPL-UHFFFAOYSA-N 1 2 413.543 3.519 20 30 HHEDLO Cc1nsc(N2CC[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC2)c1C#N ZINC000554954520 1073002818 /nfs/dbraw/zinc/00/28/18/1073002818.db2.gz SVGKJFKXLZTDJY-UHFFFAOYSA-N 1 2 418.950 3.503 20 30 HHEDLO N#Cc1cccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccccc2Br)c1 ZINC000555541844 1073612535 /nfs/dbraw/zinc/61/25/35/1073612535.db2.gz ZCPIWVUELBLIGW-UHFFFAOYSA-N 1 2 409.287 3.860 20 30 HHEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000481619171 1073837892 /nfs/dbraw/zinc/83/78/92/1073837892.db2.gz FRWWLTSHZUIICO-UHFFFAOYSA-N 1 2 419.500 3.946 20 30 HHEDLO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2(C)C)cn1 ZINC000590603358 1073958637 /nfs/dbraw/zinc/95/86/37/1073958637.db2.gz RQFJAZGCGBXGRP-SFHVURJKSA-N 1 2 411.575 3.686 20 30 HHEDLO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2(C)C)cn1 ZINC000590603358 1073958640 /nfs/dbraw/zinc/95/86/40/1073958640.db2.gz RQFJAZGCGBXGRP-SFHVURJKSA-N 1 2 411.575 3.686 20 30 HHEDLO CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574128177 1075169043 /nfs/dbraw/zinc/16/90/43/1075169043.db2.gz MMXIYZKVDXERHT-JKSBSHDWSA-N 1 2 408.502 3.818 20 30 HHEDLO CC(C)[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574128177 1075169047 /nfs/dbraw/zinc/16/90/47/1075169047.db2.gz MMXIYZKVDXERHT-JKSBSHDWSA-N 1 2 408.502 3.818 20 30 HHEDLO N#Cc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164672242 719495830 /nfs/dbraw/zinc/49/58/30/719495830.db2.gz HOVYHYVPFDEPPC-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO N#Cc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164672242 719495838 /nfs/dbraw/zinc/49/58/38/719495838.db2.gz HOVYHYVPFDEPPC-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO Cc1ccc2nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c(C#N)c(Cl)c2c1 ZINC001165011091 721722043 /nfs/dbraw/zinc/72/20/43/721722043.db2.gz OFJCBHBRKLYQHL-UHFFFAOYSA-N 1 2 423.952 3.910 20 30 HHEDLO Cc1ccc2nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c(C#N)c(Cl)c2c1 ZINC001165011091 721722049 /nfs/dbraw/zinc/72/20/49/721722049.db2.gz OFJCBHBRKLYQHL-UHFFFAOYSA-N 1 2 423.952 3.910 20 30 HHEDLO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]ccc5ccc(C#N)cc54)CC[C@@H]32)cs1 ZINC001164991741 722180048 /nfs/dbraw/zinc/18/00/48/722180048.db2.gz QVWXORHCTFGDCU-FCHUYYIVSA-N 1 2 419.554 3.741 20 30 HHEDLO N#Cc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC000301373660 970894003 /nfs/dbraw/zinc/89/40/03/970894003.db2.gz WOMKMVLLNMTSMV-OAQYLSRUSA-N 1 2 403.442 3.500 20 30 HHEDLO Cc1nc(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(C)c(C)[nH+]1 ZINC000302209236 971208256 /nfs/dbraw/zinc/20/82/56/971208256.db2.gz YEGDQPHVBVOMLF-GOSISDBHSA-N 1 2 400.324 3.551 20 30 HHEDLO NC(=NOCCCOc1ccc2ccccc2c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000303225963 971569097 /nfs/dbraw/zinc/56/90/97/971569097.db2.gz WGFDHANCKWVAOF-UHFFFAOYSA-N 1 2 419.525 3.778 20 30 HHEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000303322604 971629194 /nfs/dbraw/zinc/62/91/94/971629194.db2.gz BECQZGUMZKWDQE-IBGZPJMESA-N 1 2 405.395 3.863 20 30 HHEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000303322604 971629198 /nfs/dbraw/zinc/62/91/98/971629198.db2.gz BECQZGUMZKWDQE-IBGZPJMESA-N 1 2 405.395 3.863 20 30 HHEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1F ZINC000303582391 971874303 /nfs/dbraw/zinc/87/43/03/971874303.db2.gz PHNDAOUSJMBJDV-KRWDZBQOSA-N 1 2 421.472 3.747 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303670883 971949398 /nfs/dbraw/zinc/94/93/98/971949398.db2.gz GIZFTLCHBZLESM-QGZVFWFLSA-N 1 2 423.586 3.601 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CSc2nc(N)cc(C)[nH+]2)c1C#N ZINC000008528970 961561026 /nfs/dbraw/zinc/56/10/26/961561026.db2.gz QAXAXFHCVXEHPZ-UHFFFAOYSA-N 1 2 410.478 3.516 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c1C#N ZINC000014071446 962416218 /nfs/dbraw/zinc/41/62/18/962416218.db2.gz BIROKMCCBPVPBP-UHFFFAOYSA-N 1 2 408.502 3.891 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c1C#N ZINC000014071446 962416223 /nfs/dbraw/zinc/41/62/23/962416223.db2.gz BIROKMCCBPVPBP-UHFFFAOYSA-N 1 2 408.502 3.891 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(I)c1)Cc1cccs1 ZINC000019540516 963368098 /nfs/dbraw/zinc/36/80/98/963368098.db2.gz NLTDNAZLNPJTFV-UHFFFAOYSA-N 1 2 412.296 3.979 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cccc(I)c1)Cc1cccs1 ZINC000019540516 963368106 /nfs/dbraw/zinc/36/81/06/963368106.db2.gz NLTDNAZLNPJTFV-UHFFFAOYSA-N 1 2 412.296 3.979 20 30 HHEDLO CCC[C@@H](NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000022778431 963714678 /nfs/dbraw/zinc/71/46/78/963714678.db2.gz RZZVHEIVJCOSMP-GBXCKJPGSA-N 1 2 404.558 3.722 20 30 HHEDLO CSc1nc(C2CC2)cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1C#N ZINC000024750395 964064995 /nfs/dbraw/zinc/06/49/95/964064995.db2.gz UQHYEWBIYOUUBF-UHFFFAOYSA-N 1 2 403.511 3.727 20 30 HHEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000026321574 964524726 /nfs/dbraw/zinc/52/47/26/964524726.db2.gz IAWDCYWNLXMHMI-UHFFFAOYSA-N 1 2 422.529 3.949 20 30 HHEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000026321574 964524736 /nfs/dbraw/zinc/52/47/36/964524736.db2.gz IAWDCYWNLXMHMI-UHFFFAOYSA-N 1 2 422.529 3.949 20 30 HHEDLO Cc1cc(I)ccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323359 964524882 /nfs/dbraw/zinc/52/48/82/964524882.db2.gz ULPDGUVDHHIZIS-UHFFFAOYSA-N 1 2 419.266 3.542 20 30 HHEDLO Cc1cc(I)ccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323359 964524888 /nfs/dbraw/zinc/52/48/88/964524888.db2.gz ULPDGUVDHHIZIS-UHFFFAOYSA-N 1 2 419.266 3.542 20 30 HHEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327297 964526600 /nfs/dbraw/zinc/52/66/00/964526600.db2.gz LAPNGUFFWCIYQH-UHFFFAOYSA-N 1 2 421.419 3.673 20 30 HHEDLO COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327297 964526609 /nfs/dbraw/zinc/52/66/09/964526609.db2.gz LAPNGUFFWCIYQH-UHFFFAOYSA-N 1 2 421.419 3.673 20 30 HHEDLO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000026467454 964574986 /nfs/dbraw/zinc/57/49/86/964574986.db2.gz HIFMPDCGAKDTSN-SFHVURJKSA-N 1 2 410.949 3.973 20 30 HHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000028656409 965147980 /nfs/dbraw/zinc/14/79/80/965147980.db2.gz AJRCUMSTYFIEEX-IRLDBZIGSA-N 1 2 411.933 3.921 20 30 HHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000029684562 965456384 /nfs/dbraw/zinc/45/63/84/965456384.db2.gz NAOMJZARNCMNNR-LJQANCHMSA-N 1 2 410.949 3.965 20 30 HHEDLO Cc1nc(-c2cccs2)c(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000029926605 965561902 /nfs/dbraw/zinc/56/19/02/965561902.db2.gz XPSGUFRGIXUCMP-UHFFFAOYSA-N 1 2 422.579 3.939 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032059318 966185621 /nfs/dbraw/zinc/18/56/21/966185621.db2.gz MHSVABFLNPGAJI-UHFFFAOYSA-N 1 2 414.343 3.581 20 30 HHEDLO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032425019 966248877 /nfs/dbraw/zinc/24/88/77/966248877.db2.gz UVOVOCRQPPUNHR-JOCHJYFZSA-N 1 2 411.505 3.856 20 30 HHEDLO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032425019 966248883 /nfs/dbraw/zinc/24/88/83/966248883.db2.gz UVOVOCRQPPUNHR-JOCHJYFZSA-N 1 2 411.505 3.856 20 30 HHEDLO COc1ccc(C(=O)CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056291399 966290177 /nfs/dbraw/zinc/29/01/77/966290177.db2.gz WDUNRRZCNQWCDS-UHFFFAOYSA-N 1 2 419.525 3.654 20 30 HHEDLO COc1ccc(C(=O)CCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056291399 966290188 /nfs/dbraw/zinc/29/01/88/966290188.db2.gz WDUNRRZCNQWCDS-UHFFFAOYSA-N 1 2 419.525 3.654 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000042253163 966758899 /nfs/dbraw/zinc/75/88/99/966758899.db2.gz CCBCLBIDIFUSNG-KRWDZBQOSA-N 1 2 414.912 3.936 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)c1C ZINC000063301568 966807958 /nfs/dbraw/zinc/80/79/58/966807958.db2.gz DQBVEORPGBBBGW-UHFFFAOYSA-N 1 2 413.587 3.606 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000044018090 967096430 /nfs/dbraw/zinc/09/64/30/967096430.db2.gz HAJDVILDRJQNIT-UHFFFAOYSA-N 1 2 404.392 3.807 20 30 HHEDLO CC(C)C(=O)Nc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000044084313 967118161 /nfs/dbraw/zinc/11/81/61/967118161.db2.gz CKQGLCXBZPQLAM-UHFFFAOYSA-N 1 2 405.502 3.502 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3ccccc3)c3ccccn3)CC2)cc1 ZINC000045567503 967498419 /nfs/dbraw/zinc/49/84/19/967498419.db2.gz UUDXOUOGCJVGAC-XMMPIXPASA-N 1 2 411.509 3.570 20 30 HHEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2)C[C@@H](C)O1 ZINC000553985948 1013738424 /nfs/dbraw/zinc/73/84/24/1013738424.db2.gz KVIAYZQZGUAXGF-MBOZVWFJSA-N 1 2 402.498 3.673 20 30 HHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797855 968316996 /nfs/dbraw/zinc/31/69/96/968316996.db2.gz HBPWQBHUIMKROL-OAHLLOKOSA-N 1 2 403.473 3.591 20 30 HHEDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)c1 ZINC000048225840 968491862 /nfs/dbraw/zinc/49/18/62/968491862.db2.gz BCYDLBVECTYVSX-UHFFFAOYSA-N 1 2 415.493 3.997 20 30 HHEDLO C[NH+](C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccccc1 ZINC000066043723 968780322 /nfs/dbraw/zinc/78/03/22/968780322.db2.gz SMMGRJYLHIZZCU-QGZVFWFLSA-N 1 2 409.540 3.943 20 30 HHEDLO COc1cc(C(N)=[NH+]OCc2cc(Cl)c3c(c2)OCCO3)ccc1OC(F)F ZINC000105501595 969241801 /nfs/dbraw/zinc/24/18/01/969241801.db2.gz WOJBTXPOTQOBML-UHFFFAOYSA-N 1 2 414.792 3.558 20 30 HHEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3CCCC)cc2[nH]c1=S ZINC000109874506 969582539 /nfs/dbraw/zinc/58/25/39/969582539.db2.gz RKNBPTBYOHOJEW-QGZVFWFLSA-N 1 2 414.575 3.629 20 30 HHEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3CCCC)cc2[nH]c1=S ZINC000109874506 969582546 /nfs/dbraw/zinc/58/25/46/969582546.db2.gz RKNBPTBYOHOJEW-QGZVFWFLSA-N 1 2 414.575 3.629 20 30 HHEDLO C=CC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000111176683 969794452 /nfs/dbraw/zinc/79/44/52/969794452.db2.gz SXPLSMMKNYQRGQ-JOCHJYFZSA-N 1 2 402.523 3.909 20 30 HHEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1cccc(C#N)c1 ZINC000111176683 969794457 /nfs/dbraw/zinc/79/44/57/969794457.db2.gz SXPLSMMKNYQRGQ-JOCHJYFZSA-N 1 2 402.523 3.909 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000554442067 1013950754 /nfs/dbraw/zinc/95/07/54/1013950754.db2.gz CUDFCNRHKOXTNK-UHFFFAOYSA-N 1 2 410.474 3.658 20 30 HHEDLO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000142108958 970141522 /nfs/dbraw/zinc/14/15/22/970141522.db2.gz LBYMSLNYOPYWJH-HSZRJFAPSA-N 1 2 402.498 3.608 20 30 HHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)n2)C1 ZINC000554532904 1013972807 /nfs/dbraw/zinc/97/28/07/1013972807.db2.gz WQEOGRCVTBEZJA-QGZVFWFLSA-N 1 2 424.574 3.859 20 30 HHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(C#N)(c4ccccn4)CC3)n2)C1 ZINC000554532904 1013972811 /nfs/dbraw/zinc/97/28/11/1013972811.db2.gz WQEOGRCVTBEZJA-QGZVFWFLSA-N 1 2 424.574 3.859 20 30 HHEDLO N#Cc1ccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000301107676 970752145 /nfs/dbraw/zinc/75/21/45/970752145.db2.gz UWBQWRHNULVWHL-UHFFFAOYSA-N 1 2 406.471 3.794 20 30 HHEDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)cc1F ZINC000427884601 975332447 /nfs/dbraw/zinc/33/24/47/975332447.db2.gz IYSRNBIWNANMHQ-SJKOYZFVSA-N 1 2 417.282 3.701 20 30 HHEDLO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000428797658 976075650 /nfs/dbraw/zinc/07/56/50/976075650.db2.gz QXLRGCLGJQDQBV-HXUWFJFHSA-N 1 2 419.485 3.835 20 30 HHEDLO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1 ZINC000428797658 976075659 /nfs/dbraw/zinc/07/56/59/976075659.db2.gz QXLRGCLGJQDQBV-HXUWFJFHSA-N 1 2 419.485 3.835 20 30 HHEDLO COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)c1 ZINC000428799678 976077010 /nfs/dbraw/zinc/07/70/10/976077010.db2.gz AYIPDYAPFLJGAE-IBGZPJMESA-N 1 2 420.494 3.517 20 30 HHEDLO COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)c1 ZINC000428799678 976077027 /nfs/dbraw/zinc/07/70/27/976077027.db2.gz AYIPDYAPFLJGAE-IBGZPJMESA-N 1 2 420.494 3.517 20 30 HHEDLO N#C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000428807784 976087202 /nfs/dbraw/zinc/08/72/02/976087202.db2.gz SOOIHBYOGZDWRA-SFHVURJKSA-N 1 2 404.297 3.820 20 30 HHEDLO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1cccs1 ZINC000428818809 976097849 /nfs/dbraw/zinc/09/78/49/976097849.db2.gz OBXWDHGYIVFRCX-LJQANCHMSA-N 1 2 420.538 3.817 20 30 HHEDLO Cc1cc(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1cccs1 ZINC000428818809 976097858 /nfs/dbraw/zinc/09/78/58/976097858.db2.gz OBXWDHGYIVFRCX-LJQANCHMSA-N 1 2 420.538 3.817 20 30 HHEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428930810 976231620 /nfs/dbraw/zinc/23/16/20/976231620.db2.gz NDFBVHCYYGAJAP-VMRPVKRXSA-N 1 2 420.431 3.779 20 30 HHEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428930810 976231626 /nfs/dbraw/zinc/23/16/26/976231626.db2.gz NDFBVHCYYGAJAP-VMRPVKRXSA-N 1 2 420.431 3.779 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)c1C#N ZINC000429538637 976801362 /nfs/dbraw/zinc/80/13/62/976801362.db2.gz JTEOQTBGPOPISH-UHFFFAOYSA-N 1 2 408.550 3.695 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)nc1 ZINC000430179766 977373771 /nfs/dbraw/zinc/37/37/71/977373771.db2.gz ROLJHJOLQGOESJ-SFHVURJKSA-N 1 2 407.455 3.638 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)nc1 ZINC000430179766 977373776 /nfs/dbraw/zinc/37/37/76/977373776.db2.gz ROLJHJOLQGOESJ-SFHVURJKSA-N 1 2 407.455 3.638 20 30 HHEDLO COc1ccccc1-n1nccc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000430730241 977715477 /nfs/dbraw/zinc/71/54/77/977715477.db2.gz RCIXTNBWDNURJF-UHFFFAOYSA-N 1 2 424.508 3.623 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1C#N ZINC000431616636 978387370 /nfs/dbraw/zinc/38/73/70/978387370.db2.gz IDRXTXZBSNGJPB-FQEVSTJZSA-N 1 2 407.518 3.579 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1C#N ZINC000431616636 978387381 /nfs/dbraw/zinc/38/73/81/978387381.db2.gz IDRXTXZBSNGJPB-FQEVSTJZSA-N 1 2 407.518 3.579 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432963645 979026284 /nfs/dbraw/zinc/02/62/84/979026284.db2.gz YHIJDLAYCFQHAU-IBGZPJMESA-N 1 2 417.513 3.648 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432963645 979026291 /nfs/dbraw/zinc/02/62/91/979026291.db2.gz YHIJDLAYCFQHAU-IBGZPJMESA-N 1 2 417.513 3.648 20 30 HHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434679774 980335652 /nfs/dbraw/zinc/33/56/52/980335652.db2.gz FQTMAAVBGXDGHX-IQJRZOLZSA-N 1 2 411.594 3.718 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000434854681 980448786 /nfs/dbraw/zinc/44/87/86/980448786.db2.gz WYUPFKZJUJMVBF-QUCCMNQESA-N 1 2 420.444 3.841 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000434854681 980448788 /nfs/dbraw/zinc/44/87/88/980448788.db2.gz WYUPFKZJUJMVBF-QUCCMNQESA-N 1 2 420.444 3.841 20 30 HHEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OCCCC#N ZINC000434982442 980547796 /nfs/dbraw/zinc/54/77/96/980547796.db2.gz LPYRSYIKOQLDND-JOCHJYFZSA-N 1 2 404.514 3.760 20 30 HHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000434987164 980551740 /nfs/dbraw/zinc/55/17/40/980551740.db2.gz SGPZDVVBYUXZBO-UHFFFAOYSA-N 1 2 421.570 3.649 20 30 HHEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1C#N ZINC000435555233 980939425 /nfs/dbraw/zinc/93/94/25/980939425.db2.gz WZZLMZNHRLRFBK-UHFFFAOYSA-N 1 2 408.502 3.574 20 30 HHEDLO N#Cc1ccc(C2(C(=O)Nc3nc4ccccc4n3CCCn3cc[nH+]c3)CC2)cc1 ZINC000436317215 981295108 /nfs/dbraw/zinc/29/51/08/981295108.db2.gz JJUKOFIKMJOKSP-UHFFFAOYSA-N 1 2 410.481 3.865 20 30 HHEDLO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000437146860 981796344 /nfs/dbraw/zinc/79/63/44/981796344.db2.gz QSGDKZCUUQCOTM-CLOONOSVSA-N 1 2 409.493 3.695 20 30 HHEDLO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000437146860 981796347 /nfs/dbraw/zinc/79/63/47/981796347.db2.gz QSGDKZCUUQCOTM-CLOONOSVSA-N 1 2 409.493 3.695 20 30 HHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000441383656 984222370 /nfs/dbraw/zinc/22/23/70/984222370.db2.gz WPQLRNUQQHGCAH-IBGZPJMESA-N 1 2 410.949 3.965 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)c(C)c1 ZINC000441766188 984439581 /nfs/dbraw/zinc/43/95/81/984439581.db2.gz OCSDIDFZVIBZJD-HXUWFJFHSA-N 1 2 421.888 3.521 20 30 HHEDLO N#Cc1ccc(OC2CN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2)cc1 ZINC000461923223 984933028 /nfs/dbraw/zinc/93/30/28/984933028.db2.gz WRAHXWGNTFQHEC-UHFFFAOYSA-N 1 2 411.465 3.769 20 30 HHEDLO N#Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cc1O ZINC000442977033 985313191 /nfs/dbraw/zinc/31/31/91/985313191.db2.gz NZHJWDRBLPCNNY-UHFFFAOYSA-N 1 2 412.852 3.986 20 30 HHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(Cl)cc2C#N)c(C)c1 ZINC000443388015 985544723 /nfs/dbraw/zinc/54/47/23/985544723.db2.gz KUQOQGDVEADTGB-LJQANCHMSA-N 1 2 414.918 3.745 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(Cl)cc2C#N)c(C)c1 ZINC000443388011 985544755 /nfs/dbraw/zinc/54/47/55/985544755.db2.gz KUQOQGDVEADTGB-IBGZPJMESA-N 1 2 414.918 3.745 20 30 HHEDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)nn1-c1cccc(C#N)c1 ZINC000463094839 986052802 /nfs/dbraw/zinc/05/28/02/986052802.db2.gz UCHQNPFZGJLPDS-QGZVFWFLSA-N 1 2 405.527 3.633 20 30 HHEDLO C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000463363747 986329859 /nfs/dbraw/zinc/32/98/59/986329859.db2.gz BZWYDQXJNMTDIS-SFHVURJKSA-N 1 2 407.489 3.641 20 30 HHEDLO C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000463363747 986329875 /nfs/dbraw/zinc/32/98/75/986329875.db2.gz BZWYDQXJNMTDIS-SFHVURJKSA-N 1 2 407.489 3.641 20 30 HHEDLO C[C@H]1C[NH+](Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)C[C@H](C)O1 ZINC000444196166 986373615 /nfs/dbraw/zinc/37/36/15/986373615.db2.gz OYMLPEPJEOWAPO-GJZGRUSLSA-N 1 2 419.934 3.622 20 30 HHEDLO C[C@H]1C[NH+](Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)C[C@H](C)O1 ZINC000444200595 986379870 /nfs/dbraw/zinc/37/98/70/986379870.db2.gz CSVNYXQLCMEMKD-GJZGRUSLSA-N 1 2 419.934 3.622 20 30 HHEDLO C=CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444381383 986556798 /nfs/dbraw/zinc/55/67/98/986556798.db2.gz JXEOVZOUNDIZAP-QFIPXVFZSA-N 1 2 403.482 3.675 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)c1C#N ZINC000444716898 986889874 /nfs/dbraw/zinc/88/98/74/986889874.db2.gz QKBLPNKJOMNSTL-UHFFFAOYSA-N 1 2 412.440 3.967 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)c1C#N ZINC000444716898 986889882 /nfs/dbraw/zinc/88/98/82/986889882.db2.gz QKBLPNKJOMNSTL-UHFFFAOYSA-N 1 2 412.440 3.967 20 30 HHEDLO O=C(C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469460014 987145105 /nfs/dbraw/zinc/14/51/05/987145105.db2.gz ATLHZVVBLDZZGV-MRXNPFEDSA-N 1 2 422.397 3.941 20 30 HHEDLO O=C(C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000469460014 987145109 /nfs/dbraw/zinc/14/51/09/987145109.db2.gz ATLHZVVBLDZZGV-MRXNPFEDSA-N 1 2 422.397 3.941 20 30 HHEDLO Cc1ccc([C@H]2OCCC[C@H]2NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000470042019 987928783 /nfs/dbraw/zinc/92/87/83/987928783.db2.gz CXXJBIMIEJLQMI-DNQXCXABSA-N 1 2 418.541 3.614 20 30 HHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[N@@H+]1CCO[C@@H](C)C1 ZINC000470455082 988437032 /nfs/dbraw/zinc/43/70/32/988437032.db2.gz HRPWWLWHMGOMNJ-HNNXBMFYSA-N 1 2 408.955 3.509 20 30 HHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC[N@H+]1CCO[C@@H](C)C1 ZINC000470455082 988437039 /nfs/dbraw/zinc/43/70/39/988437039.db2.gz HRPWWLWHMGOMNJ-HNNXBMFYSA-N 1 2 408.955 3.509 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000471149765 989263979 /nfs/dbraw/zinc/26/39/79/989263979.db2.gz YELAKTVHBDKSCJ-SFHVURJKSA-N 1 2 424.570 3.957 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000471149765 989263991 /nfs/dbraw/zinc/26/39/91/989263991.db2.gz YELAKTVHBDKSCJ-SFHVURJKSA-N 1 2 424.570 3.957 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1O ZINC000471169160 989295584 /nfs/dbraw/zinc/29/55/84/989295584.db2.gz MUJISOASLBZXMU-UHFFFAOYSA-N 1 2 410.518 3.876 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1O ZINC000471169160 989295591 /nfs/dbraw/zinc/29/55/91/989295591.db2.gz MUJISOASLBZXMU-UHFFFAOYSA-N 1 2 410.518 3.876 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC000471901979 990071954 /nfs/dbraw/zinc/07/19/54/990071954.db2.gz VJAZXFBWCQTBFU-QGZVFWFLSA-N 1 2 420.904 3.956 20 30 HHEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000467011628 992319097 /nfs/dbraw/zinc/31/90/97/992319097.db2.gz AMQFNTXEOKUREU-UHFFFAOYSA-N 1 2 419.916 3.745 20 30 HHEDLO N#Cc1cccc(-n2ccc(C(=O)N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)n2)c1 ZINC000467011628 992319111 /nfs/dbraw/zinc/31/91/11/992319111.db2.gz AMQFNTXEOKUREU-UHFFFAOYSA-N 1 2 419.916 3.745 20 30 HHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)n2)C1 ZINC000467123093 992438780 /nfs/dbraw/zinc/43/87/80/992438780.db2.gz VEHJEPRMLHAWNR-HNNXBMFYSA-N 1 2 406.515 3.685 20 30 HHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)n2)C1 ZINC000467123093 992438788 /nfs/dbraw/zinc/43/87/88/992438788.db2.gz VEHJEPRMLHAWNR-HNNXBMFYSA-N 1 2 406.515 3.685 20 30 HHEDLO FC(F)(F)c1nnc(N2CCC[N@H+](CC#Cc3cccc(Cl)c3)CC2)s1 ZINC000467273080 992595372 /nfs/dbraw/zinc/59/53/72/992595372.db2.gz LRFVCXMRSXQTTL-UHFFFAOYSA-N 1 2 400.857 3.774 20 30 HHEDLO FC(F)(F)c1nnc(N2CCC[N@@H+](CC#Cc3cccc(Cl)c3)CC2)s1 ZINC000467273080 992595379 /nfs/dbraw/zinc/59/53/79/992595379.db2.gz LRFVCXMRSXQTTL-UHFFFAOYSA-N 1 2 400.857 3.774 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472490671 993492342 /nfs/dbraw/zinc/49/23/42/993492342.db2.gz ZIETYSQXNKFZIJ-NYVOZVTQSA-N 1 2 424.907 3.985 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472490671 993492349 /nfs/dbraw/zinc/49/23/49/993492349.db2.gz ZIETYSQXNKFZIJ-NYVOZVTQSA-N 1 2 424.907 3.985 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)c1 ZINC000473032836 993949467 /nfs/dbraw/zinc/94/94/67/993949467.db2.gz FJAMODMQVWPOTG-UHFFFAOYSA-N 1 2 424.551 3.621 20 30 HHEDLO C=C(C)[C@@H]([NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)c1ccc(F)c(F)c1 ZINC000481618556 994479366 /nfs/dbraw/zinc/47/93/66/994479366.db2.gz FSWAREPBRGEEGE-MRXNPFEDSA-N 1 2 419.453 3.765 20 30 HHEDLO COc1ccc(C(=O)CCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482636170 995631017 /nfs/dbraw/zinc/63/10/17/995631017.db2.gz HTZVYYKDSPTSBJ-UHFFFAOYSA-N 1 2 419.525 3.723 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000482924335 995854172 /nfs/dbraw/zinc/85/41/72/995854172.db2.gz CYCKSGLMXMSDLF-IBGZPJMESA-N 1 2 421.545 3.721 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000483246106 996058496 /nfs/dbraw/zinc/05/84/96/996058496.db2.gz SASUJAMLNZKIMN-HXUWFJFHSA-N 1 2 414.509 3.966 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000483273083 996074458 /nfs/dbraw/zinc/07/44/58/996074458.db2.gz SEOJACQXXFXWGC-LJQANCHMSA-N 1 2 414.509 3.966 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(=O)OC)[C@@H](C)C2)cc1OC ZINC000475361823 996090719 /nfs/dbraw/zinc/09/07/19/996090719.db2.gz KOQLZPIIPAGULV-ZFWWWQNUSA-N 1 2 412.324 3.654 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H](C)C2)cc1OC ZINC000475361823 996090724 /nfs/dbraw/zinc/09/07/24/996090724.db2.gz KOQLZPIIPAGULV-ZFWWWQNUSA-N 1 2 412.324 3.654 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@H](c4ccccc4F)C3)CC2)cc1 ZINC000483402211 996153879 /nfs/dbraw/zinc/15/38/79/996153879.db2.gz ZBBUXCJIFKCHAH-SFTDATJTSA-N 1 2 406.505 3.861 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000476066831 996577391 /nfs/dbraw/zinc/57/73/91/996577391.db2.gz UPSZRIUELDQTRR-UHFFFAOYSA-N 1 2 415.284 3.966 20 30 HHEDLO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1C ZINC000476087716 996587313 /nfs/dbraw/zinc/58/73/13/996587313.db2.gz CMOZQMHFDVWYSC-UHFFFAOYSA-N 1 2 420.423 3.936 20 30 HHEDLO Cc1ccc(C(=O)CCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000476243303 996702078 /nfs/dbraw/zinc/70/20/78/996702078.db2.gz WUINNVIEPVORPN-UHFFFAOYSA-N 1 2 403.526 3.954 20 30 HHEDLO Cc1ccc(C(=O)CCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000476243303 996702081 /nfs/dbraw/zinc/70/20/81/996702081.db2.gz WUINNVIEPVORPN-UHFFFAOYSA-N 1 2 403.526 3.954 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000476530463 997019274 /nfs/dbraw/zinc/01/92/74/997019274.db2.gz FFFYTCDKRMANEL-SFTDATJTSA-N 1 2 411.933 3.943 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)c2ccc(Cl)cc2)C1 ZINC000476530463 997019297 /nfs/dbraw/zinc/01/92/97/997019297.db2.gz FFFYTCDKRMANEL-SFTDATJTSA-N 1 2 411.933 3.943 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000485657050 998106304 /nfs/dbraw/zinc/10/63/04/998106304.db2.gz LDCLOLXAXSTKDK-RXVVDRJESA-N 1 2 402.441 3.713 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1OC ZINC000485657050 998106310 /nfs/dbraw/zinc/10/63/10/998106310.db2.gz LDCLOLXAXSTKDK-RXVVDRJESA-N 1 2 402.441 3.713 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000478013537 998713535 /nfs/dbraw/zinc/71/35/35/998713535.db2.gz DROUYOSXAWTTQW-DEOSSOPVSA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000478013537 998713542 /nfs/dbraw/zinc/71/35/42/998713542.db2.gz DROUYOSXAWTTQW-DEOSSOPVSA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000478433300 998955475 /nfs/dbraw/zinc/95/54/75/998955475.db2.gz WEDDSLCVGUDIOJ-DEOSSOPVSA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 ZINC000478433300 998955482 /nfs/dbraw/zinc/95/54/82/998955482.db2.gz WEDDSLCVGUDIOJ-DEOSSOPVSA-N 1 2 402.519 3.980 20 30 HHEDLO N#CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)c1ccccc1 ZINC000487432291 999174926 /nfs/dbraw/zinc/17/49/26/999174926.db2.gz VKMRKZHBQIVAMG-VXKWHMMOSA-N 1 2 421.545 3.569 20 30 HHEDLO N#CCCC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)c1ccccc1 ZINC000487432291 999174929 /nfs/dbraw/zinc/17/49/29/999174929.db2.gz VKMRKZHBQIVAMG-VXKWHMMOSA-N 1 2 421.545 3.569 20 30 HHEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000478970408 999228367 /nfs/dbraw/zinc/22/83/67/999228367.db2.gz XPUURVRTXFGTSX-UHFFFAOYSA-N 1 2 414.506 3.665 20 30 HHEDLO C=CCC[C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000487804709 999295719 /nfs/dbraw/zinc/29/57/19/999295719.db2.gz RZWZAVFDRJTTDW-QHCPKHFHSA-N 1 2 405.542 3.956 20 30 HHEDLO N#Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1Br ZINC000487982683 999335881 /nfs/dbraw/zinc/33/58/81/999335881.db2.gz HPHRUWFHKJLZPS-UHFFFAOYSA-N 1 2 424.302 3.930 20 30 HHEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)c1cccc(Cl)c1 ZINC000489008611 999670682 /nfs/dbraw/zinc/67/06/82/999670682.db2.gz HHAJLMZNOVYTCU-SFHVURJKSA-N 1 2 416.884 3.664 20 30 HHEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)c1cccc(Cl)c1 ZINC000489008611 999670684 /nfs/dbraw/zinc/67/06/84/999670684.db2.gz HHAJLMZNOVYTCU-SFHVURJKSA-N 1 2 416.884 3.664 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)no1 ZINC000480219515 999748464 /nfs/dbraw/zinc/74/84/64/999748464.db2.gz DXJWVBNLNSYUDQ-INIZCTEOSA-N 1 2 412.444 3.567 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)no1 ZINC000480219515 999748466 /nfs/dbraw/zinc/74/84/66/999748466.db2.gz DXJWVBNLNSYUDQ-INIZCTEOSA-N 1 2 412.444 3.567 20 30 HHEDLO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490023208 999879737 /nfs/dbraw/zinc/87/97/37/999879737.db2.gz AQPIESNDAYLRBO-FQEVSTJZSA-N 1 2 406.530 3.981 20 30 HHEDLO CCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490023208 999879738 /nfs/dbraw/zinc/87/97/38/999879738.db2.gz AQPIESNDAYLRBO-FQEVSTJZSA-N 1 2 406.530 3.981 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490261806 999924516 /nfs/dbraw/zinc/92/45/16/999924516.db2.gz YZUGNQNHUCDBFM-FGZHOGPDSA-N 1 2 410.468 3.956 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000490261806 999924518 /nfs/dbraw/zinc/92/45/18/999924518.db2.gz YZUGNQNHUCDBFM-FGZHOGPDSA-N 1 2 410.468 3.956 20 30 HHEDLO C[N@@H+](Cc1ccccc1N1CCOCC1)Cc1cc(C#N)ccc1Br ZINC000492486732 1000129137 /nfs/dbraw/zinc/12/91/37/1000129137.db2.gz QJRPLARRLQPUSS-UHFFFAOYSA-N 1 2 400.320 3.789 20 30 HHEDLO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cc(C#N)ccc1Br ZINC000492486732 1000129138 /nfs/dbraw/zinc/12/91/38/1000129138.db2.gz QJRPLARRLQPUSS-UHFFFAOYSA-N 1 2 400.320 3.789 20 30 HHEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)CCCn3cc[nH+]c3)c2)c1 ZINC000494205936 1000362423 /nfs/dbraw/zinc/36/24/23/1000362423.db2.gz UAWIOHFDDDRPPG-UHFFFAOYSA-N 1 2 416.481 3.624 20 30 HHEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1Cl ZINC000494407057 1000477548 /nfs/dbraw/zinc/47/75/48/1000477548.db2.gz RDTTZPLAAUYIHX-FPOVZHCZSA-N 1 2 424.932 3.980 20 30 HHEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1Cl ZINC000494407057 1000477549 /nfs/dbraw/zinc/47/75/49/1000477549.db2.gz RDTTZPLAAUYIHX-FPOVZHCZSA-N 1 2 424.932 3.980 20 30 HHEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1Cl ZINC000494407056 1000477653 /nfs/dbraw/zinc/47/76/53/1000477653.db2.gz RDTTZPLAAUYIHX-CTNGQTDRSA-N 1 2 424.932 3.980 20 30 HHEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1Cl ZINC000494407056 1000477657 /nfs/dbraw/zinc/47/76/57/1000477657.db2.gz RDTTZPLAAUYIHX-CTNGQTDRSA-N 1 2 424.932 3.980 20 30 HHEDLO CSCC[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1nnc2ccccn21 ZINC000494793195 1000659271 /nfs/dbraw/zinc/65/92/71/1000659271.db2.gz TXJPVURWVORVLE-INIZCTEOSA-N 1 2 416.348 3.947 20 30 HHEDLO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505314933 1000695960 /nfs/dbraw/zinc/69/59/60/1000695960.db2.gz SAOPLKSUPURRSE-ZWKOTPCHSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505314933 1000695964 /nfs/dbraw/zinc/69/59/64/1000695964.db2.gz SAOPLKSUPURRSE-ZWKOTPCHSA-N 1 2 404.297 3.575 20 30 HHEDLO N#Cc1cccc(NCC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000494992583 1000766976 /nfs/dbraw/zinc/76/69/76/1000766976.db2.gz AGWFHOUBDVHZEH-IBGZPJMESA-N 1 2 400.885 3.543 20 30 HHEDLO N#Cc1cccc(NCC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000494992583 1000766979 /nfs/dbraw/zinc/76/69/79/1000766979.db2.gz AGWFHOUBDVHZEH-IBGZPJMESA-N 1 2 400.885 3.543 20 30 HHEDLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[NH2+]1 ZINC000505548990 1000894822 /nfs/dbraw/zinc/89/48/22/1000894822.db2.gz HPQAFLCTMJFRBC-NRFANRHFSA-N 1 2 414.465 3.541 20 30 HHEDLO N#C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1Cl ZINC000505700813 1000982091 /nfs/dbraw/zinc/98/20/91/1000982091.db2.gz RTNVNYMGQPNGBI-LJQANCHMSA-N 1 2 407.861 3.560 20 30 HHEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000505718658 1000991797 /nfs/dbraw/zinc/99/17/97/1000991797.db2.gz FPMRSHSJLBMJTA-UHFFFAOYSA-N 1 2 404.333 3.735 20 30 HHEDLO COc1sc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000506069039 1001202668 /nfs/dbraw/zinc/20/26/68/1001202668.db2.gz ACJMSOFWBLUIIG-UHFFFAOYSA-N 1 2 406.349 3.709 20 30 HHEDLO N#Cc1cccc(C2(NC(=O)N[C@@H]3CCC[N@@H+](Cc4c(F)cccc4F)C3)CC2)c1 ZINC000496653094 1001211461 /nfs/dbraw/zinc/21/14/61/1001211461.db2.gz VLEUCCMYWYVBHS-GOSISDBHSA-N 1 2 410.468 3.789 20 30 HHEDLO N#Cc1cccc(C2(NC(=O)N[C@@H]3CCC[N@H+](Cc4c(F)cccc4F)C3)CC2)c1 ZINC000496653094 1001211468 /nfs/dbraw/zinc/21/14/68/1001211468.db2.gz VLEUCCMYWYVBHS-GOSISDBHSA-N 1 2 410.468 3.789 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC(F)F ZINC000506161888 1001255103 /nfs/dbraw/zinc/25/51/03/1001255103.db2.gz XKMWVFHLVDEOOW-UHFFFAOYSA-N 1 2 409.820 3.892 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC(F)F ZINC000506161888 1001255107 /nfs/dbraw/zinc/25/51/07/1001255107.db2.gz XKMWVFHLVDEOOW-UHFFFAOYSA-N 1 2 409.820 3.892 20 30 HHEDLO CC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594250 1001451208 /nfs/dbraw/zinc/45/12/08/1001451208.db2.gz TYBNZHWWFSETOO-CYBMUJFWSA-N 1 2 410.499 3.534 20 30 HHEDLO CC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000497594250 1001451212 /nfs/dbraw/zinc/45/12/12/1001451212.db2.gz TYBNZHWWFSETOO-CYBMUJFWSA-N 1 2 410.499 3.534 20 30 HHEDLO C=CCc1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc(OC)c1O ZINC000506802272 1001537911 /nfs/dbraw/zinc/53/79/11/1001537911.db2.gz AYXHWANLPVMJJP-UHFFFAOYSA-N 1 2 404.894 3.862 20 30 HHEDLO C=CCc1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2OC)cc(OC)c1O ZINC000506802272 1001537916 /nfs/dbraw/zinc/53/79/16/1001537916.db2.gz AYXHWANLPVMJJP-UHFFFAOYSA-N 1 2 404.894 3.862 20 30 HHEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)cc1Br ZINC000506962024 1001731528 /nfs/dbraw/zinc/73/15/28/1001731528.db2.gz VDMZQIFOZAPHOX-UHFFFAOYSA-N 1 2 412.331 3.896 20 30 HHEDLO N#Cc1ccccc1N1CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000507292839 1001977121 /nfs/dbraw/zinc/97/71/21/1001977121.db2.gz OGMUEMQJOZHOQO-VWLOTQADSA-N 1 2 410.521 3.738 20 30 HHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000507714179 1002304497 /nfs/dbraw/zinc/30/44/97/1002304497.db2.gz ANSYGJAFVJEZGQ-DNVCBOLYSA-N 1 2 403.511 3.712 20 30 HHEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000507837777 1002378706 /nfs/dbraw/zinc/37/87/06/1002378706.db2.gz OWAXAKVUCISSFK-HNNXBMFYSA-N 1 2 408.456 3.515 20 30 HHEDLO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000507848063 1002386797 /nfs/dbraw/zinc/38/67/97/1002386797.db2.gz RFXGZBVPJCEZLX-INIZCTEOSA-N 1 2 408.458 3.645 20 30 HHEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc21 ZINC000507852539 1002390493 /nfs/dbraw/zinc/39/04/93/1002390493.db2.gz QEEYSWZFHRAHHF-UHFFFAOYSA-N 1 2 413.481 3.767 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(F)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000499557076 1002937997 /nfs/dbraw/zinc/93/79/97/1002937997.db2.gz NPHIXHRYJAWYJJ-RBUKOAKNSA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(F)c(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000499557076 1002938005 /nfs/dbraw/zinc/93/80/05/1002938005.db2.gz NPHIXHRYJAWYJJ-RBUKOAKNSA-N 1 2 402.857 3.544 20 30 HHEDLO C=CCn1c(N2CC[NH+](Cc3ccco3)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000508464236 1002949650 /nfs/dbraw/zinc/94/96/50/1002949650.db2.gz LGKJBWWETWUFKJ-UHFFFAOYSA-N 1 2 415.444 3.508 20 30 HHEDLO Cc1onc(CC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC000499897644 1003231390 /nfs/dbraw/zinc/23/13/90/1003231390.db2.gz GMOUAKLYVAZOOY-UHFFFAOYSA-N 1 2 411.465 3.625 20 30 HHEDLO C=CCn1c(C)nnc1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000508920235 1003358485 /nfs/dbraw/zinc/35/84/85/1003358485.db2.gz JCGFIAMTNUWHDM-UHFFFAOYSA-N 1 2 409.484 3.962 20 30 HHEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1)C1CC1 ZINC000500127643 1003488975 /nfs/dbraw/zinc/48/89/75/1003488975.db2.gz DVWRXLKQNHQXIT-GOSISDBHSA-N 1 2 413.415 3.654 20 30 HHEDLO COc1cccc(-c2c[nH]cc2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000509495212 1003903959 /nfs/dbraw/zinc/90/39/59/1003903959.db2.gz OUHBHCGWJKZALY-UHFFFAOYSA-N 1 2 400.482 3.520 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000512506638 1004348635 /nfs/dbraw/zinc/34/86/35/1004348635.db2.gz OHZCLCPDBYXBLF-NRFANRHFSA-N 1 2 409.578 3.579 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000512506638 1004348642 /nfs/dbraw/zinc/34/86/42/1004348642.db2.gz OHZCLCPDBYXBLF-NRFANRHFSA-N 1 2 409.578 3.579 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000512517438 1004355892 /nfs/dbraw/zinc/35/58/92/1004355892.db2.gz WEOLRAGJQSNCDW-MRXNPFEDSA-N 1 2 401.486 3.718 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000512517438 1004355899 /nfs/dbraw/zinc/35/58/99/1004355899.db2.gz WEOLRAGJQSNCDW-MRXNPFEDSA-N 1 2 401.486 3.718 20 30 HHEDLO N#Cc1cc(S(=O)(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)ccc1Cl ZINC000510371455 1004517170 /nfs/dbraw/zinc/51/71/70/1004517170.db2.gz AYADUODGJDGGHF-LJQANCHMSA-N 1 2 415.902 3.614 20 30 HHEDLO Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000512842643 1004604371 /nfs/dbraw/zinc/60/43/71/1004604371.db2.gz BRWRYPIFSZKTAM-UHFFFAOYSA-N 1 2 424.476 3.506 20 30 HHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCN(c4ccccc4C#N)CC3)n2)C1 ZINC000510630520 1004764688 /nfs/dbraw/zinc/76/46/88/1004764688.db2.gz UXUXXZQPMHILRE-QGZVFWFLSA-N 1 2 424.574 3.601 20 30 HHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCN(c4ccccc4C#N)CC3)n2)C1 ZINC000510630520 1004764694 /nfs/dbraw/zinc/76/46/94/1004764694.db2.gz UXUXXZQPMHILRE-QGZVFWFLSA-N 1 2 424.574 3.601 20 30 HHEDLO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH+]2CCC(F)(C#N)CC2)C1=O ZINC000510929524 1004938843 /nfs/dbraw/zinc/93/88/43/1004938843.db2.gz GJJXEJDNJBAWHB-INIZCTEOSA-N 1 2 408.315 3.889 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000502190284 1004948254 /nfs/dbraw/zinc/94/82/54/1004948254.db2.gz YMHSPZKGPFSSPH-UHFFFAOYSA-N 1 2 404.514 3.696 20 30 HHEDLO N#Cc1ccc(C[N@@H+](CC(=O)NCc2cccc(C#N)c2)Cc2cccc(F)c2)cc1 ZINC000513430472 1004962531 /nfs/dbraw/zinc/96/25/31/1004962531.db2.gz SSJUYMOWXIPFRR-UHFFFAOYSA-N 1 2 412.468 3.888 20 30 HHEDLO N#Cc1ccc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)Cc2cccc(F)c2)cc1 ZINC000513430472 1004962538 /nfs/dbraw/zinc/96/25/38/1004962538.db2.gz SSJUYMOWXIPFRR-UHFFFAOYSA-N 1 2 412.468 3.888 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000513506854 1004995465 /nfs/dbraw/zinc/99/54/65/1004995465.db2.gz CNFMHPSGEQQVTK-UHFFFAOYSA-N 1 2 404.536 3.825 20 30 HHEDLO N#C[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513582281 1005035208 /nfs/dbraw/zinc/03/52/08/1005035208.db2.gz KWEKGFJYHVDMMQ-IIBYNOLFSA-N 1 2 415.415 3.820 20 30 HHEDLO N#C[C@@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513582281 1005035213 /nfs/dbraw/zinc/03/52/13/1005035213.db2.gz KWEKGFJYHVDMMQ-IIBYNOLFSA-N 1 2 415.415 3.820 20 30 HHEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502494791 1005091939 /nfs/dbraw/zinc/09/19/39/1005091939.db2.gz KSUCDPZMPNAUGA-QGZVFWFLSA-N 1 2 405.498 3.542 20 30 HHEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502494791 1005091944 /nfs/dbraw/zinc/09/19/44/1005091944.db2.gz KSUCDPZMPNAUGA-QGZVFWFLSA-N 1 2 405.498 3.542 20 30 HHEDLO N#C[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513978099 1005210625 /nfs/dbraw/zinc/21/06/25/1005210625.db2.gz FRHRVDKOTQGEML-XCLFUZPHSA-N 1 2 402.281 3.718 20 30 HHEDLO N#C[C@@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513978099 1005210629 /nfs/dbraw/zinc/21/06/29/1005210629.db2.gz FRHRVDKOTQGEML-XCLFUZPHSA-N 1 2 402.281 3.718 20 30 HHEDLO C=CCc1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc(OC)c1OC ZINC000513991838 1005217222 /nfs/dbraw/zinc/21/72/22/1005217222.db2.gz KRSKFBAYUPVPNK-LJQANCHMSA-N 1 2 400.906 3.872 20 30 HHEDLO COc1ccc(C[N@H+](CCNC(C)=O)Cc2ccc(Br)s2)cc1C#N ZINC000503241203 1005375221 /nfs/dbraw/zinc/37/52/21/1005375221.db2.gz JEUZYTDFLPESOD-UHFFFAOYSA-N 1 2 422.348 3.529 20 30 HHEDLO COc1ccc(C[N@@H+](CCNC(C)=O)Cc2ccc(Br)s2)cc1C#N ZINC000503241203 1005375223 /nfs/dbraw/zinc/37/52/23/1005375223.db2.gz JEUZYTDFLPESOD-UHFFFAOYSA-N 1 2 422.348 3.529 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000504350850 1005604165 /nfs/dbraw/zinc/60/41/65/1005604165.db2.gz GWQLUMMIGTUOKR-UHFFFAOYSA-N 1 2 406.530 3.683 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000504363582 1005607461 /nfs/dbraw/zinc/60/74/61/1005607461.db2.gz GYDHPHSLDAAWQZ-DHIUTWEWSA-N 1 2 414.509 3.985 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000504422488 1005624862 /nfs/dbraw/zinc/62/48/62/1005624862.db2.gz SZYCEUGDBZABNB-GOSISDBHSA-N 1 2 407.514 3.776 20 30 HHEDLO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000514925393 1006207210 /nfs/dbraw/zinc/20/72/10/1006207210.db2.gz YCGRDDXZYWWEKW-HXUWFJFHSA-N 1 2 404.558 3.506 20 30 HHEDLO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000514925393 1006207220 /nfs/dbraw/zinc/20/72/20/1006207220.db2.gz YCGRDDXZYWWEKW-HXUWFJFHSA-N 1 2 404.558 3.506 20 30 HHEDLO C=CCNC(=O)c1cccc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)c1 ZINC000515016635 1006251069 /nfs/dbraw/zinc/25/10/69/1006251069.db2.gz OFOQFRFZZAVBLP-FQEVSTJZSA-N 1 2 420.538 3.791 20 30 HHEDLO Cc1cccn2cc(Cc3noc([C@@H]4CCN(c5ccc(C#N)cc5F)C4)n3)[nH+]c12 ZINC000515051675 1006268254 /nfs/dbraw/zinc/26/82/54/1006268254.db2.gz ZISPIJQQAJAZHO-MRXNPFEDSA-N 1 2 402.433 3.621 20 30 HHEDLO Cc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000515296947 1006383322 /nfs/dbraw/zinc/38/33/22/1006383322.db2.gz DJUZAGQHYDNVCI-UHFFFAOYSA-N 1 2 404.905 3.694 20 30 HHEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000534816953 1006824439 /nfs/dbraw/zinc/82/44/39/1006824439.db2.gz UVJYRMARNYVNCZ-ZWKOTPCHSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000534816953 1006824449 /nfs/dbraw/zinc/82/44/49/1006824449.db2.gz UVJYRMARNYVNCZ-ZWKOTPCHSA-N 1 2 410.326 3.589 20 30 HHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1Cl ZINC000532919059 1007291948 /nfs/dbraw/zinc/29/19/48/1007291948.db2.gz KHHSYFRBJDSVDT-UHFFFAOYSA-N 1 2 405.832 3.972 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532989464 1007361223 /nfs/dbraw/zinc/36/12/23/1007361223.db2.gz YVVHBRIWTRLSTL-RBUKOAKNSA-N 1 2 423.314 3.729 20 30 HHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532989464 1007361237 /nfs/dbraw/zinc/36/12/37/1007361237.db2.gz YVVHBRIWTRLSTL-RBUKOAKNSA-N 1 2 423.314 3.729 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000533221258 1007545758 /nfs/dbraw/zinc/54/57/58/1007545758.db2.gz RXMSBHNIGXYSME-FQEVSTJZSA-N 1 2 408.521 3.669 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000533221258 1007545764 /nfs/dbraw/zinc/54/57/64/1007545764.db2.gz RXMSBHNIGXYSME-FQEVSTJZSA-N 1 2 408.521 3.669 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000533221046 1007546017 /nfs/dbraw/zinc/54/60/17/1007546017.db2.gz RVYGTWKFRZIEGI-AWEZNQCLSA-N 1 2 420.307 3.818 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000533221046 1007546028 /nfs/dbraw/zinc/54/60/28/1007546028.db2.gz RVYGTWKFRZIEGI-AWEZNQCLSA-N 1 2 420.307 3.818 20 30 HHEDLO C=CCN(C(=O)C[N@H+](C)CCO)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000533236393 1007557982 /nfs/dbraw/zinc/55/79/82/1007557982.db2.gz CBZJFMNXPUKMNT-UHFFFAOYSA-N 1 2 400.331 3.560 20 30 HHEDLO C=CCN(C(=O)C[N@@H+](C)CCO)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000533236393 1007557993 /nfs/dbraw/zinc/55/79/93/1007557993.db2.gz CBZJFMNXPUKMNT-UHFFFAOYSA-N 1 2 400.331 3.560 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000533293363 1007608550 /nfs/dbraw/zinc/60/85/50/1007608550.db2.gz RSBNAHBCMYDTHY-MOPGFXCFSA-N 1 2 423.586 3.651 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000533366778 1007674738 /nfs/dbraw/zinc/67/47/38/1007674738.db2.gz LERKFIVFSPZXSA-CQSZACIVSA-N 1 2 412.465 3.585 20 30 HHEDLO CC[C@@H](C)n1ncc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000535702666 1007739469 /nfs/dbraw/zinc/73/94/69/1007739469.db2.gz WQVHTCDEFMBDKA-QGZVFWFLSA-N 1 2 406.534 3.953 20 30 HHEDLO CC(C)[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1F ZINC000539452299 1007763603 /nfs/dbraw/zinc/76/36/03/1007763603.db2.gz BETOOFKCWABSIP-FQEVSTJZSA-N 1 2 414.550 3.507 20 30 HHEDLO CC(C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccccc1F ZINC000539452299 1007763616 /nfs/dbraw/zinc/76/36/16/1007763616.db2.gz BETOOFKCWABSIP-FQEVSTJZSA-N 1 2 414.550 3.507 20 30 HHEDLO CCCCCOc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OC ZINC000535819770 1007831863 /nfs/dbraw/zinc/83/18/63/1007831863.db2.gz HHNJZJVGVXGNNT-SFHVURJKSA-N 1 2 409.534 3.637 20 30 HHEDLO CCCCCOc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OC ZINC000535819770 1007831875 /nfs/dbraw/zinc/83/18/75/1007831875.db2.gz HHNJZJVGVXGNNT-SFHVURJKSA-N 1 2 409.534 3.637 20 30 HHEDLO C=CC[C@H](CO)CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000540411907 1008421909 /nfs/dbraw/zinc/42/19/09/1008421909.db2.gz JEPNCDNQQYIEDF-FQEVSTJZSA-N 1 2 404.514 3.582 20 30 HHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000542958916 1008531117 /nfs/dbraw/zinc/53/11/17/1008531117.db2.gz PKLKFADCWGOMSU-UHFFFAOYSA-N 1 2 417.860 3.905 20 30 HHEDLO C[C@H]1CO[C@@H](c2noc(C3(c4cccc(C#N)c4)CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000545812896 1008899752 /nfs/dbraw/zinc/89/97/52/1008899752.db2.gz DVAQRIXLTOIJLR-LAUBAEHRSA-N 1 2 400.482 3.983 20 30 HHEDLO C[C@H]1CO[C@@H](c2noc(C3(c4cccc(C#N)c4)CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000545812896 1008899769 /nfs/dbraw/zinc/89/97/69/1008899769.db2.gz DVAQRIXLTOIJLR-LAUBAEHRSA-N 1 2 400.482 3.983 20 30 HHEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc1 ZINC000519907479 1009068979 /nfs/dbraw/zinc/06/89/79/1009068979.db2.gz AQOAGFJKJLSFAF-UHFFFAOYSA-N 1 2 417.553 3.968 20 30 HHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000543547368 1009146459 /nfs/dbraw/zinc/14/64/59/1009146459.db2.gz PRNLBRTVKOSPIV-XNROWMOSSA-N 1 2 413.497 3.846 20 30 HHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc1C ZINC000543549689 1009151258 /nfs/dbraw/zinc/15/12/58/1009151258.db2.gz VJBFIYCFVIMKIB-NWDGAFQWSA-N 1 2 420.922 3.831 20 30 HHEDLO CCOC(=O)COc1c(Br)cc(C)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000543779685 1009347966 /nfs/dbraw/zinc/34/79/66/1009347966.db2.gz GDCVJZQYCDIYMX-UHFFFAOYSA-N 1 2 409.324 3.825 20 30 HHEDLO N#CCCN(C(=O)CCc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)c1ccccc1 ZINC000546402120 1009417773 /nfs/dbraw/zinc/41/77/73/1009417773.db2.gz NDZVGSKXLMHBPW-UHFFFAOYSA-N 1 2 412.453 3.802 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543893166 1009473112 /nfs/dbraw/zinc/47/31/12/1009473112.db2.gz FLKFKZBLBJWKQO-CTNGQTDRSA-N 1 2 416.447 3.952 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543893166 1009473120 /nfs/dbraw/zinc/47/31/20/1009473120.db2.gz FLKFKZBLBJWKQO-CTNGQTDRSA-N 1 2 416.447 3.952 20 30 HHEDLO Cc1nc(SCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C#N)c(C)c1C ZINC000544038033 1009639515 /nfs/dbraw/zinc/63/95/15/1009639515.db2.gz GZAKMSCBURUQDO-UHFFFAOYSA-N 1 2 411.575 3.886 20 30 HHEDLO C[C@@H]([NH2+][C@H](C)c1nnc2ccccn21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000544484072 1010107971 /nfs/dbraw/zinc/10/79/71/1010107971.db2.gz XQJGETWLRPJTOG-ZIAGYGMSSA-N 1 2 408.531 3.609 20 30 HHEDLO N#Cc1cccc(C2(NCC(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000551713661 1010756749 /nfs/dbraw/zinc/75/67/49/1010756749.db2.gz HYVLAWRMOZZIEE-JOCHJYFZSA-N 1 2 422.960 3.744 20 30 HHEDLO N#Cc1cccc(C2([NH2+]CC(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2)c1 ZINC000551713661 1010756757 /nfs/dbraw/zinc/75/67/57/1010756757.db2.gz HYVLAWRMOZZIEE-JOCHJYFZSA-N 1 2 422.960 3.744 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c1C ZINC000541085460 1011727259 /nfs/dbraw/zinc/72/72/59/1011727259.db2.gz CQUKTXKCCJAEGY-TZMCWYRMSA-N 1 2 409.412 3.648 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c1C ZINC000541085460 1011727273 /nfs/dbraw/zinc/72/72/73/1011727273.db2.gz CQUKTXKCCJAEGY-TZMCWYRMSA-N 1 2 409.412 3.648 20 30 HHEDLO C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000541092862 1011736958 /nfs/dbraw/zinc/73/69/58/1011736958.db2.gz OCJZWEHRCSQPFX-QYZOEREBSA-N 1 2 406.530 3.695 20 30 HHEDLO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541126032 1011783342 /nfs/dbraw/zinc/78/33/42/1011783342.db2.gz VPTUCTRRLYAVNA-SJORKVTESA-N 1 2 401.935 3.616 20 30 HHEDLO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541126032 1011783358 /nfs/dbraw/zinc/78/33/58/1011783358.db2.gz VPTUCTRRLYAVNA-SJORKVTESA-N 1 2 401.935 3.616 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000536733587 1011908294 /nfs/dbraw/zinc/90/82/94/1011908294.db2.gz DNYFEOQVXPCJCJ-PMACEKPBSA-N 1 2 408.521 3.840 20 30 HHEDLO C[C@H]([C@H](C)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[NH+]1CCOCC1 ZINC000552279236 1012292953 /nfs/dbraw/zinc/29/29/53/1012292953.db2.gz XAUZMPQBXJPYMW-RBUKOAKNSA-N 1 2 422.529 3.562 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523770788 1012406948 /nfs/dbraw/zinc/40/69/48/1012406948.db2.gz CNBKZAZBWWNOBH-MRXNPFEDSA-N 1 2 419.510 3.521 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)cc1 ZINC000524000004 1012746614 /nfs/dbraw/zinc/74/66/14/1012746614.db2.gz FPJYGNSWAJOAOQ-UHFFFAOYSA-N 1 2 418.522 3.728 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)n2)c(Cl)c1 ZINC000542026748 1012922416 /nfs/dbraw/zinc/92/24/16/1012922416.db2.gz VBRNJCCZYFDDMC-UHFFFAOYSA-N 1 2 421.892 3.583 20 30 HHEDLO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537435081 1012924745 /nfs/dbraw/zinc/92/47/45/1012924745.db2.gz KUFUUALOTSLPDH-QZTJIDSGSA-N 1 2 401.935 3.616 20 30 HHEDLO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537435081 1012924754 /nfs/dbraw/zinc/92/47/54/1012924754.db2.gz KUFUUALOTSLPDH-QZTJIDSGSA-N 1 2 401.935 3.616 20 30 HHEDLO N#Cc1c(Cl)cccc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000542101691 1013034177 /nfs/dbraw/zinc/03/41/77/1013034177.db2.gz JVWVLCLXXBCGLS-UHFFFAOYSA-N 1 2 401.919 3.775 20 30 HHEDLO CC(C)Cc1ccc([C@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)[NH+](C)C)cc1 ZINC001212066409 1071949826 /nfs/dbraw/zinc/94/98/26/1071949826.db2.gz GLYMWSPOAIEANL-FQEVSTJZSA-N 1 2 421.513 3.616 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C)Cc3ccc(C#N)cc3)CCCC2)no1 ZINC001126830973 1072701342 /nfs/dbraw/zinc/70/13/42/1072701342.db2.gz QBAOTRODPGQJLF-QGZVFWFLSA-N 1 2 409.534 3.547 20 30 HHEDLO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000555096687 1073162065 /nfs/dbraw/zinc/16/20/65/1073162065.db2.gz CZPXPISTKQGKGP-UHFFFAOYSA-N 1 2 406.921 3.812 20 30 HHEDLO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000555247240 1073289578 /nfs/dbraw/zinc/28/95/78/1073289578.db2.gz IDUKBDATNJRYGP-UHFFFAOYSA-N 1 2 407.518 3.657 20 30 HHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000588973459 1073365898 /nfs/dbraw/zinc/36/58/98/1073365898.db2.gz UAGPMUVSEKYTLT-AWEZNQCLSA-N 1 2 402.951 3.830 20 30 HHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000588973459 1073365911 /nfs/dbraw/zinc/36/59/11/1073365911.db2.gz UAGPMUVSEKYTLT-AWEZNQCLSA-N 1 2 402.951 3.830 20 30 HHEDLO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccc(OC)cc1 ZINC000555876933 1073931854 /nfs/dbraw/zinc/93/18/54/1073931854.db2.gz QSLUVQBIFXRILT-UHFFFAOYSA-N 1 2 419.525 3.981 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccc(OC)cc1 ZINC000555876933 1073931875 /nfs/dbraw/zinc/93/18/75/1073931875.db2.gz QSLUVQBIFXRILT-UHFFFAOYSA-N 1 2 419.525 3.981 20 30 HHEDLO C=CCn1c(N2CCC[N@@H+](Cc3csc([C@@H](C)OC)n3)CC2)nnc1C(C)(C)C ZINC000575028786 1075446379 /nfs/dbraw/zinc/44/63/79/1075446379.db2.gz OOVNWTQTAWHJEI-MRXNPFEDSA-N 1 2 418.611 3.638 20 30 HHEDLO C=CCn1c(N2CCC[N@H+](Cc3csc([C@@H](C)OC)n3)CC2)nnc1C(C)(C)C ZINC000575028786 1075446382 /nfs/dbraw/zinc/44/63/82/1075446382.db2.gz OOVNWTQTAWHJEI-MRXNPFEDSA-N 1 2 418.611 3.638 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C#N)c(C)n1)CC2 ZINC001164658917 719352046 /nfs/dbraw/zinc/35/20/46/719352046.db2.gz LXCOKRKDOWTTBC-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C#N)c(C)n1)CC2 ZINC001164658917 719352051 /nfs/dbraw/zinc/35/20/51/719352051.db2.gz LXCOKRKDOWTTBC-UHFFFAOYSA-N 1 2 412.541 3.956 20 30 HHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000301165512 970782742 /nfs/dbraw/zinc/78/27/42/970782742.db2.gz UOQDNHQDRBRYRG-UHFFFAOYSA-N 1 2 401.470 3.759 20 30 HHEDLO CCOC1CC(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)([NH+]2CCOCC2)C1 ZINC000302797758 971322704 /nfs/dbraw/zinc/32/27/04/971322704.db2.gz AQNCCJMVYBHXFL-UHFFFAOYSA-N 1 2 418.900 3.581 20 30 HHEDLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000303228879 971570774 /nfs/dbraw/zinc/57/07/74/971570774.db2.gz XDXGUSVQTPYFIJ-HXUWFJFHSA-N 1 2 401.470 3.528 20 30 HHEDLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000303228879 971570781 /nfs/dbraw/zinc/57/07/81/971570781.db2.gz XDXGUSVQTPYFIJ-HXUWFJFHSA-N 1 2 401.470 3.528 20 30 HHEDLO CCCc1nc2ccccc2n1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537650717 1013211996 /nfs/dbraw/zinc/21/19/96/1013211996.db2.gz QBDFIOKGUZCJRN-UHFFFAOYSA-N 1 2 415.541 3.595 20 30 HHEDLO COc1ccc(CCC2CC[NH+](Cc3nc4ccccc4c(=O)n3CC#N)CC2)cc1 ZINC000010898218 961942478 /nfs/dbraw/zinc/94/24/78/961942478.db2.gz XBUNVIQWVJQDNK-UHFFFAOYSA-N 1 2 416.525 3.773 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)c1C#N ZINC000012817343 962331165 /nfs/dbraw/zinc/33/11/65/962331165.db2.gz DDSNYGCIHBHMGC-IBGZPJMESA-N 1 2 422.529 3.802 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1C#N ZINC000012817343 962331184 /nfs/dbraw/zinc/33/11/84/962331184.db2.gz DDSNYGCIHBHMGC-IBGZPJMESA-N 1 2 422.529 3.802 20 30 HHEDLO COc1ccc(C(=O)C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000014325021 962470074 /nfs/dbraw/zinc/47/00/74/962470074.db2.gz SZGSKTBDOGXGCA-UHFFFAOYSA-N 1 2 405.498 3.537 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)cc1 ZINC000017843421 963234634 /nfs/dbraw/zinc/23/46/34/963234634.db2.gz MUBFEYQKNAPHDD-UHFFFAOYSA-N 1 2 404.539 3.835 20 30 HHEDLO C=CCc1cc(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)cc(OC)c1OC ZINC000021476459 963475441 /nfs/dbraw/zinc/47/54/41/963475441.db2.gz VWMQXHVLKZRVIT-UHFFFAOYSA-N 1 2 424.541 3.789 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023355976 963805995 /nfs/dbraw/zinc/80/59/95/963805995.db2.gz RHYVDPKIQHRSSX-INIZCTEOSA-N 1 2 418.488 3.923 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000023355976 963806002 /nfs/dbraw/zinc/80/60/02/963806002.db2.gz RHYVDPKIQHRSSX-INIZCTEOSA-N 1 2 418.488 3.923 20 30 HHEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051621480 964639570 /nfs/dbraw/zinc/63/95/70/964639570.db2.gz TVEFQMIBNBLXRO-IBGZPJMESA-N 1 2 416.525 3.642 20 30 HHEDLO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1C#N ZINC000027104643 964784690 /nfs/dbraw/zinc/78/46/90/964784690.db2.gz KLESQLPVTDZIOG-UHFFFAOYSA-N 1 2 406.555 3.819 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000052702604 964956909 /nfs/dbraw/zinc/95/69/09/964956909.db2.gz NABVAAJNMIFNHK-SFHVURJKSA-N 1 2 415.603 3.874 20 30 HHEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801026 964987167 /nfs/dbraw/zinc/98/71/67/964987167.db2.gz MUXOTGAQAYRJIG-MRXNPFEDSA-N 1 2 412.921 3.760 20 30 HHEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801026 964987172 /nfs/dbraw/zinc/98/71/72/964987172.db2.gz MUXOTGAQAYRJIG-MRXNPFEDSA-N 1 2 412.921 3.760 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000028753097 965175845 /nfs/dbraw/zinc/17/58/45/965175845.db2.gz QJYCRPKBHDXQOP-UHFFFAOYSA-N 1 2 414.531 3.550 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000553694338 1013551926 /nfs/dbraw/zinc/55/19/26/1013551926.db2.gz FUPQJKCAWXPFJC-NHCUHLMSSA-N 1 2 401.457 3.774 20 30 HHEDLO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000553694338 1013551933 /nfs/dbraw/zinc/55/19/33/1013551933.db2.gz FUPQJKCAWXPFJC-NHCUHLMSSA-N 1 2 401.457 3.774 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000029719419 965475556 /nfs/dbraw/zinc/47/55/56/965475556.db2.gz BEUHHVMVEZBRNV-UHFFFAOYSA-N 1 2 403.417 3.816 20 30 HHEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339299 965481234 /nfs/dbraw/zinc/48/12/34/965481234.db2.gz GDCBYQUEQGIWLG-FPOVZHCZSA-N 1 2 418.324 3.830 20 30 HHEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339299 965481240 /nfs/dbraw/zinc/48/12/40/965481240.db2.gz GDCBYQUEQGIWLG-FPOVZHCZSA-N 1 2 418.324 3.830 20 30 HHEDLO N#Cc1ccccc1OCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000060422831 966137803 /nfs/dbraw/zinc/13/78/03/966137803.db2.gz KEXQXOFIKOOMMM-UHFFFAOYSA-N 1 2 419.554 3.965 20 30 HHEDLO N#Cc1ccccc1OCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000031895362 966148389 /nfs/dbraw/zinc/14/83/89/966148389.db2.gz HZOGVAUVAXJLMV-GOSISDBHSA-N 1 2 401.869 3.683 20 30 HHEDLO COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Br)cc1C#N ZINC000553887155 1013677034 /nfs/dbraw/zinc/67/70/34/1013677034.db2.gz ZFRBDCBZXYVISK-UHFFFAOYSA-N 1 2 403.276 3.698 20 30 HHEDLO COCC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(Br)cc1C#N ZINC000553887155 1013677039 /nfs/dbraw/zinc/67/70/39/1013677039.db2.gz ZFRBDCBZXYVISK-UHFFFAOYSA-N 1 2 403.276 3.698 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000538147946 1013707903 /nfs/dbraw/zinc/70/79/03/1013707903.db2.gz RTBUZZOVKMDGRZ-DLBZAZTESA-N 1 2 424.574 3.683 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000538147946 1013707907 /nfs/dbraw/zinc/70/79/07/1013707907.db2.gz RTBUZZOVKMDGRZ-DLBZAZTESA-N 1 2 424.574 3.683 20 30 HHEDLO CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000046066878 967651027 /nfs/dbraw/zinc/65/10/27/967651027.db2.gz RUGJOKCREZFDPI-IBGZPJMESA-N 1 2 406.530 3.934 20 30 HHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000553985949 1013738108 /nfs/dbraw/zinc/73/81/08/1013738108.db2.gz KVIAYZQZGUAXGF-QKLQHJQFSA-N 1 2 402.498 3.673 20 30 HHEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000553985949 1013738115 /nfs/dbraw/zinc/73/81/15/1013738115.db2.gz KVIAYZQZGUAXGF-QKLQHJQFSA-N 1 2 402.498 3.673 20 30 HHEDLO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000046529467 967842779 /nfs/dbraw/zinc/84/27/79/967842779.db2.gz YPRGIUOIBINRMD-UHFFFAOYSA-N 1 2 404.392 3.606 20 30 HHEDLO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000046529467 967842791 /nfs/dbraw/zinc/84/27/91/967842791.db2.gz YPRGIUOIBINRMD-UHFFFAOYSA-N 1 2 404.392 3.606 20 30 HHEDLO CSc1ccc([C@@H](CNC(=O)CSCC#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000047042397 968038879 /nfs/dbraw/zinc/03/88/79/968038879.db2.gz ZHMOYIQDEBXNRX-GOSISDBHSA-N 1 2 417.625 3.942 20 30 HHEDLO CSc1ccc([C@@H](CNC(=O)CSCC#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000047042397 968038886 /nfs/dbraw/zinc/03/88/86/968038886.db2.gz ZHMOYIQDEBXNRX-GOSISDBHSA-N 1 2 417.625 3.942 20 30 HHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000048161593 968464654 /nfs/dbraw/zinc/46/46/54/968464654.db2.gz XXSQKUPQNPTIFX-UHFFFAOYSA-N 1 2 401.470 3.960 20 30 HHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554105542 1013799750 /nfs/dbraw/zinc/79/97/50/1013799750.db2.gz WUOUVDNUDXOFLF-HXUWFJFHSA-N 1 2 413.905 3.646 20 30 HHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000554105542 1013799756 /nfs/dbraw/zinc/79/97/56/1013799756.db2.gz WUOUVDNUDXOFLF-HXUWFJFHSA-N 1 2 413.905 3.646 20 30 HHEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)ccc1OC(F)F ZINC000069302860 968827954 /nfs/dbraw/zinc/82/79/54/968827954.db2.gz FDAAKICLRMMWSR-UHFFFAOYSA-N 1 2 403.429 3.675 20 30 HHEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)ccc1OC(F)F ZINC000069302860 968827963 /nfs/dbraw/zinc/82/79/63/968827963.db2.gz FDAAKICLRMMWSR-UHFFFAOYSA-N 1 2 403.429 3.675 20 30 HHEDLO CC(C)(CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[NH+]1CCOCC1 ZINC000071923077 968889986 /nfs/dbraw/zinc/88/99/86/968889986.db2.gz VGPNTZPBUKNHAM-UHFFFAOYSA-N 1 2 422.529 3.564 20 30 HHEDLO C=CCOc1ccc(/C=C/C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1OC ZINC000072026833 968941116 /nfs/dbraw/zinc/94/11/16/968941116.db2.gz OVKCRFDQTDBSIK-PKNBQFBNSA-N 1 2 421.541 3.659 20 30 HHEDLO Cc1cc(C)c(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)[nH+]1 ZINC000097263047 969112935 /nfs/dbraw/zinc/11/29/35/969112935.db2.gz MVLWLVBHTKSGJW-UHFFFAOYSA-N 1 2 405.458 3.982 20 30 HHEDLO COc1ccccc1C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000097492960 969146150 /nfs/dbraw/zinc/14/61/50/969146150.db2.gz ROVHEUJMOAKZEK-UHFFFAOYSA-N 1 2 416.443 3.846 20 30 HHEDLO COc1ccccc1C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000097492960 969146159 /nfs/dbraw/zinc/14/61/59/969146159.db2.gz ROVHEUJMOAKZEK-UHFFFAOYSA-N 1 2 416.443 3.846 20 30 HHEDLO N#CCCN(C(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccccc1 ZINC000109102014 969462369 /nfs/dbraw/zinc/46/23/69/969462369.db2.gz YJLMUFNIWUQMPU-DEOSSOPVSA-N 1 2 412.493 3.903 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ccc(-n4cccn4)cc3)c2)n1 ZINC000110176545 969633383 /nfs/dbraw/zinc/63/33/83/969633383.db2.gz KXNIWPARWBOGQW-UHFFFAOYSA-N 1 2 400.486 3.571 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000195661865 969940353 /nfs/dbraw/zinc/94/03/53/969940353.db2.gz CYCIZAJYTBHISJ-NRFANRHFSA-N 1 2 411.596 3.698 20 30 HHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000143318029 970190483 /nfs/dbraw/zinc/19/04/83/970190483.db2.gz VYDACRVSFGQTJB-UHFFFAOYSA-N 1 2 415.497 3.720 20 30 HHEDLO CCCCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000195538810 970500556 /nfs/dbraw/zinc/50/05/56/970500556.db2.gz FQUJUKPGVVJOTP-KRWDZBQOSA-N 1 2 400.552 3.693 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000261369339 970628483 /nfs/dbraw/zinc/62/84/83/970628483.db2.gz LBMATGYIMUTXJO-QGZVFWFLSA-N 1 2 423.488 3.761 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000426143538 974262829 /nfs/dbraw/zinc/26/28/29/974262829.db2.gz NUTKNLKCEFVTCP-KRWDZBQOSA-N 1 2 412.921 3.966 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000426762202 974641161 /nfs/dbraw/zinc/64/11/61/974641161.db2.gz IGGABNUCIOOAGK-FQEVSTJZSA-N 1 2 403.935 3.547 20 30 HHEDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)cc1F ZINC000427884594 975332715 /nfs/dbraw/zinc/33/27/15/975332715.db2.gz IYSRNBIWNANMHQ-PXAZEXFGSA-N 1 2 417.282 3.701 20 30 HHEDLO N#CCCn1ncc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1-c1ccccc1 ZINC000428209796 975533933 /nfs/dbraw/zinc/53/39/33/975533933.db2.gz TVCQLXULMRNRNU-UHFFFAOYSA-N 1 2 410.481 3.639 20 30 HHEDLO N#CCCn1ncc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1-c1ccccc1 ZINC000428225870 975546441 /nfs/dbraw/zinc/54/64/41/975546441.db2.gz NYOCBYOYEFUBFY-UHFFFAOYSA-N 1 2 414.513 3.779 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428719969 976008748 /nfs/dbraw/zinc/00/87/48/976008748.db2.gz QJXNMJAKGOOXJM-FXAWDEMLSA-N 1 2 402.445 3.534 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428719969 976008753 /nfs/dbraw/zinc/00/87/53/976008753.db2.gz QJXNMJAKGOOXJM-FXAWDEMLSA-N 1 2 402.445 3.534 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)nc1 ZINC000428768710 976040607 /nfs/dbraw/zinc/04/06/07/976040607.db2.gz BEKFEBIIHBUJDD-INIZCTEOSA-N 1 2 407.499 3.597 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)nc1 ZINC000428768710 976040622 /nfs/dbraw/zinc/04/06/22/976040622.db2.gz BEKFEBIIHBUJDD-INIZCTEOSA-N 1 2 407.499 3.597 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)C2)nc1 ZINC000428792466 976068995 /nfs/dbraw/zinc/06/89/95/976068995.db2.gz WSUKDYHCVNDOLZ-MRXNPFEDSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)C2)nc1 ZINC000428792466 976069008 /nfs/dbraw/zinc/06/90/08/976069008.db2.gz WSUKDYHCVNDOLZ-MRXNPFEDSA-N 1 2 415.375 3.675 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429244595 976534763 /nfs/dbraw/zinc/53/47/63/976534763.db2.gz GWSRXNSZBXHKLY-RTBURBONSA-N 1 2 424.520 3.680 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429244595 976534774 /nfs/dbraw/zinc/53/47/74/976534774.db2.gz GWSRXNSZBXHKLY-RTBURBONSA-N 1 2 424.520 3.680 20 30 HHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000429836115 977106898 /nfs/dbraw/zinc/10/68/98/977106898.db2.gz GAKZIKMIWQGVQT-LJQANCHMSA-N 1 2 405.523 3.712 20 30 HHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000429836115 977106904 /nfs/dbraw/zinc/10/69/04/977106904.db2.gz GAKZIKMIWQGVQT-LJQANCHMSA-N 1 2 405.523 3.712 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4cccc(Br)c4)c[nH]3)C2)nc1 ZINC000430177914 977372044 /nfs/dbraw/zinc/37/20/44/977372044.db2.gz NNCGGWCLVYMWKB-QGZVFWFLSA-N 1 2 424.302 3.759 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4cccc(Br)c4)c[nH]3)C2)nc1 ZINC000430177914 977372049 /nfs/dbraw/zinc/37/20/49/977372049.db2.gz NNCGGWCLVYMWKB-QGZVFWFLSA-N 1 2 424.302 3.759 20 30 HHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000432499283 978850585 /nfs/dbraw/zinc/85/05/85/978850585.db2.gz FWJSDKWCBFRRTQ-YFHOEESVSA-N 1 2 416.525 3.525 20 30 HHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)s2)cc1 ZINC000432900627 979005486 /nfs/dbraw/zinc/00/54/86/979005486.db2.gz YVHGMOFYMQPZKX-GOSISDBHSA-N 1 2 405.483 3.686 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434374366 980121484 /nfs/dbraw/zinc/12/14/84/980121484.db2.gz SAFTVJHKDXPCPV-MOPGFXCFSA-N 1 2 406.530 3.648 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000434687331 980339881 /nfs/dbraw/zinc/33/98/81/980339881.db2.gz DCCMZTJGUMYQJI-UHFFFAOYSA-N 1 2 419.573 3.963 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000434854680 980448737 /nfs/dbraw/zinc/44/87/37/980448737.db2.gz WYUPFKZJUJMVBF-ICSRJNTNSA-N 1 2 420.444 3.841 20 30 HHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000434854680 980448742 /nfs/dbraw/zinc/44/87/42/980448742.db2.gz WYUPFKZJUJMVBF-ICSRJNTNSA-N 1 2 420.444 3.841 20 30 HHEDLO N#CCCn1cc(CNc2ccccc2OCCn2cc[nH+]c2)c(-c2ccncc2)n1 ZINC000435128308 980659827 /nfs/dbraw/zinc/65/98/27/980659827.db2.gz CPPIFNVQFVTFNS-UHFFFAOYSA-N 1 2 413.485 3.746 20 30 HHEDLO Cc1cc([C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CCO2)ccc1F ZINC000435131939 980663085 /nfs/dbraw/zinc/66/30/85/980663085.db2.gz GPPNLPFWOXOTBY-QFIPXVFZSA-N 1 2 405.477 3.880 20 30 HHEDLO Cc1cc([C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CCO2)ccc1F ZINC000435131939 980663090 /nfs/dbraw/zinc/66/30/90/980663090.db2.gz GPPNLPFWOXOTBY-QFIPXVFZSA-N 1 2 405.477 3.880 20 30 HHEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)c(C)c1 ZINC000435132252 980663196 /nfs/dbraw/zinc/66/31/96/980663196.db2.gz WPCVNQOXKPTEQQ-UHFFFAOYSA-N 1 2 416.529 3.855 20 30 HHEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)c(C)c1 ZINC000435132252 980663200 /nfs/dbraw/zinc/66/32/00/980663200.db2.gz WPCVNQOXKPTEQQ-UHFFFAOYSA-N 1 2 416.529 3.855 20 30 HHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000436101721 981201139 /nfs/dbraw/zinc/20/11/39/981201139.db2.gz LTNZCIJSPUUDTN-QGZVFWFLSA-N 1 2 406.515 3.751 20 30 HHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000436469763 981390722 /nfs/dbraw/zinc/39/07/22/981390722.db2.gz FQVJWKAFCFHXAX-QHCPKHFHSA-N 1 2 410.949 3.559 20 30 HHEDLO COc1cc(-c2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)ccc1O ZINC000436791101 981563442 /nfs/dbraw/zinc/56/34/42/981563442.db2.gz INOZAUROIQOGEI-UHFFFAOYSA-N 1 2 420.538 3.714 20 30 HHEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000460578013 982362689 /nfs/dbraw/zinc/36/26/89/982362689.db2.gz RUQJWWFFDLILIT-YADHBBJMSA-N 1 2 409.578 3.532 20 30 HHEDLO C=C(C)Cn1c(CCC(C)C)nnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000460578013 982362697 /nfs/dbraw/zinc/36/26/97/982362697.db2.gz RUQJWWFFDLILIT-YADHBBJMSA-N 1 2 409.578 3.532 20 30 HHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)Cc1ccccn1 ZINC000438511191 982850859 /nfs/dbraw/zinc/85/08/59/982850859.db2.gz FTRFWLPLISADMI-UHFFFAOYSA-N 1 2 401.514 3.881 20 30 HHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)Cc1ccccn1 ZINC000438511191 982850871 /nfs/dbraw/zinc/85/08/71/982850871.db2.gz FTRFWLPLISADMI-UHFFFAOYSA-N 1 2 401.514 3.881 20 30 HHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438602558 982931351 /nfs/dbraw/zinc/93/13/51/982931351.db2.gz ATLZUEZHVKCAHE-UHFFFAOYSA-N 1 2 401.470 3.567 20 30 HHEDLO N#Cc1cccnc1-n1cc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cn1 ZINC000461324142 983017891 /nfs/dbraw/zinc/01/78/91/983017891.db2.gz QDUZFTZECCIQKY-UHFFFAOYSA-N 1 2 422.492 3.780 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)c(Cl)c1 ZINC000439432210 983406193 /nfs/dbraw/zinc/40/61/93/983406193.db2.gz BHYWIOFAOSFSHG-LJQANCHMSA-N 1 2 415.946 3.569 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)c(Cl)c1 ZINC000439432210 983406195 /nfs/dbraw/zinc/40/61/95/983406195.db2.gz BHYWIOFAOSFSHG-LJQANCHMSA-N 1 2 415.946 3.569 20 30 HHEDLO CC(C)[C@@H](CNc1c(C#N)cnc2c(Br)cccc21)N1CC[NH+](C)CC1 ZINC000440673112 983847433 /nfs/dbraw/zinc/84/74/33/983847433.db2.gz DOIZIJYPPRVIGS-GOSISDBHSA-N 1 2 416.367 3.553 20 30 HHEDLO N#Cc1cc(NC(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1Cl ZINC000442200934 984721243 /nfs/dbraw/zinc/72/12/43/984721243.db2.gz SBACZTBXRBHUSM-UHFFFAOYSA-N 1 2 417.856 3.704 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1C ZINC000462237789 985220180 /nfs/dbraw/zinc/22/01/80/985220180.db2.gz PAUKJPSJRIQYDU-UHFFFAOYSA-N 1 2 407.518 3.690 20 30 HHEDLO COc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccc2OC)cc1 ZINC000443462249 985636102 /nfs/dbraw/zinc/63/61/02/985636102.db2.gz GYVREHSCGYCFSS-VWLOTQADSA-N 1 2 415.493 3.571 20 30 HHEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccc(Br)cc1 ZINC000443487690 985661867 /nfs/dbraw/zinc/66/18/67/985661867.db2.gz RWJPHWYJGVIWAD-UHFFFAOYSA-N 1 2 402.321 4.163 20 30 HHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000468132430 985797686 /nfs/dbraw/zinc/79/76/86/985797686.db2.gz MQNDMDDMQNDLCD-AWEZNQCLSA-N 1 2 409.964 3.731 20 30 HHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000468132430 985797704 /nfs/dbraw/zinc/79/77/04/985797704.db2.gz MQNDMDDMQNDLCD-AWEZNQCLSA-N 1 2 409.964 3.731 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1 ZINC000443726696 985936970 /nfs/dbraw/zinc/93/69/70/985936970.db2.gz YMYIYPDJTPNDMR-UHFFFAOYSA-N 1 2 415.518 3.635 20 30 HHEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1OC ZINC000468469421 986163121 /nfs/dbraw/zinc/16/31/21/986163121.db2.gz LBKDFWZXGJZZDE-IBGZPJMESA-N 1 2 419.319 3.681 20 30 HHEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1OC ZINC000468469421 986163124 /nfs/dbraw/zinc/16/31/24/986163124.db2.gz LBKDFWZXGJZZDE-IBGZPJMESA-N 1 2 419.319 3.681 20 30 HHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444170301 986347527 /nfs/dbraw/zinc/34/75/27/986347527.db2.gz MTKMKXHRVBEUSA-KKSFZXQISA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444170301 986347531 /nfs/dbraw/zinc/34/75/31/986347531.db2.gz MTKMKXHRVBEUSA-KKSFZXQISA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463431816 986405913 /nfs/dbraw/zinc/40/59/13/986405913.db2.gz CQAIVCQALUSZSG-BXKMTCNYSA-N 1 2 423.582 3.852 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463431816 986405920 /nfs/dbraw/zinc/40/59/20/986405920.db2.gz CQAIVCQALUSZSG-BXKMTCNYSA-N 1 2 423.582 3.852 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463447651 986427702 /nfs/dbraw/zinc/42/77/02/986427702.db2.gz ZUUCEIHBPBPJCE-FDDCHVKYSA-N 1 2 409.555 3.655 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463447651 986427705 /nfs/dbraw/zinc/42/77/05/986427705.db2.gz ZUUCEIHBPBPJCE-FDDCHVKYSA-N 1 2 409.555 3.655 20 30 HHEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444379144 986554711 /nfs/dbraw/zinc/55/47/11/986554711.db2.gz CVGGTUFBICDUGC-QFIPXVFZSA-N 1 2 403.482 3.675 20 30 HHEDLO N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)cc2)c1N ZINC000444544158 986734015 /nfs/dbraw/zinc/73/40/15/986734015.db2.gz KMQSTCTXFHEMIS-UHFFFAOYSA-N 1 2 423.480 3.778 20 30 HHEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000469050672 986760602 /nfs/dbraw/zinc/76/06/02/986760602.db2.gz VQSBVUSCEFSMSJ-UHFFFAOYSA-N 1 2 409.555 3.892 20 30 HHEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000469050672 986760614 /nfs/dbraw/zinc/76/06/14/986760614.db2.gz VQSBVUSCEFSMSJ-UHFFFAOYSA-N 1 2 409.555 3.892 20 30 HHEDLO COc1cc(Br)c(OCC[N@H+](C)[C@@H](C)CC#N)cc1Br ZINC000469113738 986830365 /nfs/dbraw/zinc/83/03/65/986830365.db2.gz UZFMKOWKAUSCDQ-JTQLQIEISA-N 1 2 406.118 3.833 20 30 HHEDLO COc1cc(Br)c(OCC[N@@H+](C)[C@@H](C)CC#N)cc1Br ZINC000469113738 986830380 /nfs/dbraw/zinc/83/03/80/986830380.db2.gz UZFMKOWKAUSCDQ-JTQLQIEISA-N 1 2 406.118 3.833 20 30 HHEDLO CC(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000444765315 986925540 /nfs/dbraw/zinc/92/55/40/986925540.db2.gz DPOHOYZQSZQGNM-UHFFFAOYSA-N 1 2 410.905 3.565 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000469450848 987136960 /nfs/dbraw/zinc/13/69/60/987136960.db2.gz VBNXGZYEUATFIO-NRFANRHFSA-N 1 2 415.497 3.769 20 30 HHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000469505638 987182804 /nfs/dbraw/zinc/18/28/04/987182804.db2.gz WFHBFYQTBSHRFB-CZUORRHYSA-N 1 2 407.396 3.811 20 30 HHEDLO C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000469752519 987404426 /nfs/dbraw/zinc/40/44/26/987404426.db2.gz NDUGNKOSNJURCT-WYNBGMTASA-N 1 2 407.518 3.737 20 30 HHEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000470176035 988092472 /nfs/dbraw/zinc/09/24/72/988092472.db2.gz HRKYJASFANDCAU-UHFFFAOYSA-N 1 2 408.303 3.586 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c(OC)c1 ZINC000470199443 988120812 /nfs/dbraw/zinc/12/08/12/988120812.db2.gz YTYNDPSFDQICGQ-DKZVUGQWSA-N 1 2 403.544 3.687 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c(OC)c1 ZINC000470199443 988120818 /nfs/dbraw/zinc/12/08/18/988120818.db2.gz YTYNDPSFDQICGQ-DKZVUGQWSA-N 1 2 403.544 3.687 20 30 HHEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)ccc1O ZINC000470372360 988334664 /nfs/dbraw/zinc/33/46/64/988334664.db2.gz KJHIBWAXTFFOAX-UHFFFAOYSA-N 1 2 401.894 3.741 20 30 HHEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)ccc1O ZINC000470372360 988334680 /nfs/dbraw/zinc/33/46/80/988334680.db2.gz KJHIBWAXTFFOAX-UHFFFAOYSA-N 1 2 401.894 3.741 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1 ZINC000470463041 988450197 /nfs/dbraw/zinc/45/01/97/988450197.db2.gz DRCPUGVCGQMERW-QGZVFWFLSA-N 1 2 413.905 3.845 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1 ZINC000470463041 988450207 /nfs/dbraw/zinc/45/02/07/988450207.db2.gz DRCPUGVCGQMERW-QGZVFWFLSA-N 1 2 413.905 3.845 20 30 HHEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000464751274 988972714 /nfs/dbraw/zinc/97/27/14/988972714.db2.gz LBDSEGAMKBDNCJ-OAHLLOKOSA-N 1 2 400.504 3.725 20 30 HHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)c1C#N ZINC000464822437 989059404 /nfs/dbraw/zinc/05/94/04/989059404.db2.gz MALHNLBATHQMON-UHFFFAOYSA-N 1 2 406.530 3.795 20 30 HHEDLO CC(=O)c1ccc(NC(=O)CC[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000471012658 989082694 /nfs/dbraw/zinc/08/26/94/989082694.db2.gz RQFDEJMUHNUJDW-QFIPXVFZSA-N 1 2 424.932 3.754 20 30 HHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000464971211 989272315 /nfs/dbraw/zinc/27/23/15/989272315.db2.gz HFXHGGASRFEUKN-QFIPXVFZSA-N 1 2 419.525 3.986 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471186677 989320617 /nfs/dbraw/zinc/32/06/17/989320617.db2.gz JAWTVIJSQYYDJK-FQEVSTJZSA-N 1 2 413.525 3.692 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000465714342 990100174 /nfs/dbraw/zinc/10/01/74/990100174.db2.gz DUAJJDHIUPRJHZ-CTNGQTDRSA-N 1 2 403.461 3.993 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)cc1 ZINC000466621074 991937093 /nfs/dbraw/zinc/93/70/93/991937093.db2.gz QBHJRCCZXAIEFS-UHFFFAOYSA-N 1 2 423.517 3.513 20 30 HHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(C2CCCCC2)no1 ZINC000467037125 992346005 /nfs/dbraw/zinc/34/60/05/992346005.db2.gz ZKVOVSIZBWGCQO-QGZVFWFLSA-N 1 2 422.533 3.577 20 30 HHEDLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481397304 994229526 /nfs/dbraw/zinc/22/95/26/994229526.db2.gz CLJLKGVKFQJXFC-RNODOKPDSA-N 1 2 423.517 3.687 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474189180 995180649 /nfs/dbraw/zinc/18/06/49/995180649.db2.gz MJFMPCDLBUDQET-TZIWHRDSSA-N 1 2 413.443 3.959 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474189180 995180653 /nfs/dbraw/zinc/18/06/53/995180653.db2.gz MJFMPCDLBUDQET-TZIWHRDSSA-N 1 2 413.443 3.959 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3ccn4cc[nH+]c4c3)c2)c1 ZINC000474721936 995659252 /nfs/dbraw/zinc/65/92/52/995659252.db2.gz XNNXBPIWUQHJTA-UHFFFAOYSA-N 1 2 410.437 3.780 20 30 HHEDLO N#CC1(NC(=O)CCC(=O)c2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000482721913 995707366 /nfs/dbraw/zinc/70/73/66/995707366.db2.gz IXSZJAXIFIBFPB-UHFFFAOYSA-N 1 2 411.452 3.602 20 30 HHEDLO C=C(C)COCCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000474809515 995718962 /nfs/dbraw/zinc/71/89/62/995718962.db2.gz FCFLBEQTXNVCTG-UHFFFAOYSA-N 1 2 404.514 3.990 20 30 HHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000483273081 996074308 /nfs/dbraw/zinc/07/43/08/996074308.db2.gz SEOJACQXXFXWGC-IBGZPJMESA-N 1 2 414.509 3.966 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000475456437 996152365 /nfs/dbraw/zinc/15/23/65/996152365.db2.gz CWTZSFGRARRYBR-INIZCTEOSA-N 1 2 419.229 3.767 20 30 HHEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000483516279 996227925 /nfs/dbraw/zinc/22/79/25/996227925.db2.gz PSFROQXNFSQCOC-DENIHFKCSA-N 1 2 400.567 3.705 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000475587153 996233353 /nfs/dbraw/zinc/23/33/53/996233353.db2.gz VINYFSMCBMTTTH-JOCHJYFZSA-N 1 2 403.592 3.868 20 30 HHEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccc(Br)cc2)no1 ZINC000483639438 996302438 /nfs/dbraw/zinc/30/24/38/996302438.db2.gz UTRILANKHKKTSF-LBPRGKRZSA-N 1 2 423.274 3.869 20 30 HHEDLO C=CCN(CC1CCCCC1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000483946222 996482923 /nfs/dbraw/zinc/48/29/23/996482923.db2.gz WPYZTQGEMAYCIA-UHFFFAOYSA-N 1 2 415.578 3.676 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000484011673 996520529 /nfs/dbraw/zinc/52/05/29/996520529.db2.gz CQZILTYDSKVFKJ-RBUKOAKNSA-N 1 2 408.468 3.754 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000484011674 996520547 /nfs/dbraw/zinc/52/05/47/996520547.db2.gz CQZILTYDSKVFKJ-RTBURBONSA-N 1 2 408.468 3.754 20 30 HHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000477072635 997721973 /nfs/dbraw/zinc/72/19/73/997721973.db2.gz FIKWTOKSPFLICE-RXAIFQJESA-N 1 2 401.557 3.671 20 30 HHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000477072635 997721985 /nfs/dbraw/zinc/72/19/85/997721985.db2.gz FIKWTOKSPFLICE-RXAIFQJESA-N 1 2 401.557 3.671 20 30 HHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485317248 997727908 /nfs/dbraw/zinc/72/79/08/997727908.db2.gz JQNBUKAGVHGZSS-KRWDZBQOSA-N 1 2 414.469 3.601 20 30 HHEDLO C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000477513690 998234569 /nfs/dbraw/zinc/23/45/69/998234569.db2.gz VRDNBNOXPKFQNN-NRFANRHFSA-N 1 2 423.557 3.684 20 30 HHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000477868544 998618026 /nfs/dbraw/zinc/61/80/26/998618026.db2.gz VZGUQSRPUSWOJA-UHFFFAOYSA-N 1 2 416.447 3.942 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(-c4[nH]cc[nH+]4)ccc3C)C2)n1 ZINC000478000056 998707363 /nfs/dbraw/zinc/70/73/63/998707363.db2.gz UMBROBLKXHHRPA-LJQANCHMSA-N 1 2 400.486 3.815 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(C)c1 ZINC000486632411 998867374 /nfs/dbraw/zinc/86/73/74/998867374.db2.gz XUCAIZSFCGUDDJ-SFHVURJKSA-N 1 2 413.403 3.957 20 30 HHEDLO Cc1cc(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)ccc1C#N ZINC000486801319 998946087 /nfs/dbraw/zinc/94/60/87/998946087.db2.gz QSHSNXNQDZOUDL-UHFFFAOYSA-N 1 2 407.905 3.888 20 30 HHEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(-c4ccc(F)cc4)n3)C2=O)cc1 ZINC000486903096 998998906 /nfs/dbraw/zinc/99/89/06/998998906.db2.gz MRSLDKZRVUXNDP-HXUWFJFHSA-N 1 2 406.486 3.712 20 30 HHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487991977 999339789 /nfs/dbraw/zinc/33/97/89/999339789.db2.gz JWQNIIASBARFRX-AWEZNQCLSA-N 1 2 414.307 3.626 20 30 HHEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000489023136 999674873 /nfs/dbraw/zinc/67/48/73/999674873.db2.gz IFLITTBNDHXKCH-KRWDZBQOSA-N 1 2 402.454 3.644 20 30 HHEDLO CCn1c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc2c1cccc2F ZINC000489580140 999796364 /nfs/dbraw/zinc/79/63/64/999796364.db2.gz UXYLCMSUXKRGKJ-UHFFFAOYSA-N 1 2 405.477 3.918 20 30 HHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)C1=O ZINC000490028536 999880795 /nfs/dbraw/zinc/88/07/95/999880795.db2.gz DMVLYSFBEOPQKA-DOTOQJQBSA-N 1 2 412.584 3.940 20 30 HHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)C1=O ZINC000490028536 999880797 /nfs/dbraw/zinc/88/07/97/999880797.db2.gz DMVLYSFBEOPQKA-DOTOQJQBSA-N 1 2 412.584 3.940 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490261808 999924525 /nfs/dbraw/zinc/92/45/25/999924525.db2.gz YZUGNQNHUCDBFM-YADHBBJMSA-N 1 2 410.468 3.956 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490261808 999924527 /nfs/dbraw/zinc/92/45/27/999924527.db2.gz YZUGNQNHUCDBFM-YADHBBJMSA-N 1 2 410.468 3.956 20 30 HHEDLO C=CC[NH+]1CCC(N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000491036127 1000037640 /nfs/dbraw/zinc/03/76/40/1000037640.db2.gz KVOSCAUKEVGFLN-QFIPXVFZSA-N 1 2 420.525 3.698 20 30 HHEDLO Cc1cc([C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)ccc1F ZINC000491197677 1000054616 /nfs/dbraw/zinc/05/46/16/1000054616.db2.gz XBMVGCLEXZBNBK-LJQANCHMSA-N 1 2 413.518 3.958 20 30 HHEDLO Cc1cc([C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CCO2)ccc1F ZINC000491197677 1000054617 /nfs/dbraw/zinc/05/46/17/1000054617.db2.gz XBMVGCLEXZBNBK-LJQANCHMSA-N 1 2 413.518 3.958 20 30 HHEDLO COc1cccc([C@@H](C)N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491238451 1000057685 /nfs/dbraw/zinc/05/76/85/1000057685.db2.gz GZMKWWKOUXVVOI-LJQANCHMSA-N 1 2 415.541 3.846 20 30 HHEDLO CCOc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000492720156 1000140716 /nfs/dbraw/zinc/14/07/16/1000140716.db2.gz GZHQELAVKUGJGZ-UHFFFAOYSA-N 1 2 417.469 3.736 20 30 HHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CCO)Cc2cccc(F)c2)c1C#N ZINC000494253326 1000390996 /nfs/dbraw/zinc/39/09/96/1000390996.db2.gz GYHAFNFTPBUTEE-UHFFFAOYSA-N 1 2 420.488 3.538 20 30 HHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)c1C#N ZINC000494253326 1000391007 /nfs/dbraw/zinc/39/10/07/1000391007.db2.gz GYHAFNFTPBUTEE-UHFFFAOYSA-N 1 2 420.488 3.538 20 30 HHEDLO C=CCCc1ccccc1NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000505030101 1000515838 /nfs/dbraw/zinc/51/58/38/1000515838.db2.gz SNVAUBXACQIMAU-UHFFFAOYSA-N 1 2 409.530 3.838 20 30 HHEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000494640841 1000585217 /nfs/dbraw/zinc/58/52/17/1000585217.db2.gz CXWAYLNREUMSHX-UHFFFAOYSA-N 1 2 421.950 3.612 20 30 HHEDLO C=CC[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000494640841 1000585219 /nfs/dbraw/zinc/58/52/19/1000585219.db2.gz CXWAYLNREUMSHX-UHFFFAOYSA-N 1 2 421.950 3.612 20 30 HHEDLO CC(C)c1nc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000505232205 1000635122 /nfs/dbraw/zinc/63/51/22/1000635122.db2.gz JLRJBGZUJHFROM-ZDUSSCGKSA-N 1 2 401.898 3.925 20 30 HHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000505267646 1000657915 /nfs/dbraw/zinc/65/79/15/1000657915.db2.gz VNIOQACNUCEZSG-UHFFFAOYSA-N 1 2 420.273 3.516 20 30 HHEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505314930 1000695885 /nfs/dbraw/zinc/69/58/85/1000695885.db2.gz SAOPLKSUPURRSE-MSOLQXFVSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc(Cl)c1Cl ZINC000505314930 1000695888 /nfs/dbraw/zinc/69/58/88/1000695888.db2.gz SAOPLKSUPURRSE-MSOLQXFVSA-N 1 2 404.297 3.575 20 30 HHEDLO COc1ccccc1[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[NH2+]1 ZINC000505460811 1000789247 /nfs/dbraw/zinc/78/92/47/1000789247.db2.gz OOJZVLBDNMTTHO-NRFANRHFSA-N 1 2 402.498 3.740 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c(OC)c1 ZINC000505494152 1000821582 /nfs/dbraw/zinc/82/15/82/1000821582.db2.gz LJOQNKFCDDEVKR-IBGZPJMESA-N 1 2 424.541 3.717 20 30 HHEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000505944960 1001118713 /nfs/dbraw/zinc/11/87/13/1001118713.db2.gz XELORSYXMAKLCF-HNNXBMFYSA-N 1 2 415.331 3.794 20 30 HHEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000506266978 1001317803 /nfs/dbraw/zinc/31/78/03/1001317803.db2.gz CAOCEYLLPLCELT-UHFFFAOYSA-N 1 2 414.557 3.818 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1Cl ZINC000506295481 1001336374 /nfs/dbraw/zinc/33/63/74/1001336374.db2.gz REHSFMUSLAVZEV-UHFFFAOYSA-N 1 2 420.962 3.848 20 30 HHEDLO COc1ccc(OCc2ccccn2)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000506356505 1001374801 /nfs/dbraw/zinc/37/48/01/1001374801.db2.gz MRDCPPYFVCFBFL-UHFFFAOYSA-N 1 2 414.509 3.863 20 30 HHEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000497492329 1001398349 /nfs/dbraw/zinc/39/83/49/1001398349.db2.gz QKNLLFKOHAEISE-OAQYLSRUSA-N 1 2 407.901 3.912 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000506470670 1001426942 /nfs/dbraw/zinc/42/69/42/1001426942.db2.gz MZYXOMGQZDUVCK-QGZVFWFLSA-N 1 2 410.299 3.629 20 30 HHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506470670 1001426944 /nfs/dbraw/zinc/42/69/44/1001426944.db2.gz MZYXOMGQZDUVCK-QGZVFWFLSA-N 1 2 410.299 3.629 20 30 HHEDLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCOc4ccccc4C#N)CC3)n2)cc1 ZINC000497587001 1001448036 /nfs/dbraw/zinc/44/80/36/1001448036.db2.gz FFYZBJZKXWCFDW-LJQANCHMSA-N 1 2 417.513 3.674 20 30 HHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000506533498 1001453771 /nfs/dbraw/zinc/45/37/71/1001453771.db2.gz UCVBDDGNZPLBFX-CZUORRHYSA-N 1 2 404.392 3.605 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000506657930 1001485361 /nfs/dbraw/zinc/48/53/61/1001485361.db2.gz VPZLZGOFLHFESI-LJQANCHMSA-N 1 2 422.451 3.776 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000506657930 1001485364 /nfs/dbraw/zinc/48/53/64/1001485364.db2.gz VPZLZGOFLHFESI-LJQANCHMSA-N 1 2 422.451 3.776 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000506891270 1001582775 /nfs/dbraw/zinc/58/27/75/1001582775.db2.gz DVNUDIFTXRFMLF-GOSISDBHSA-N 1 2 422.529 3.519 20 30 HHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C ZINC000498120052 1001649727 /nfs/dbraw/zinc/64/97/27/1001649727.db2.gz XEJXTQKABWOZKB-UHFFFAOYSA-N 1 2 416.529 3.586 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507081852 1001796218 /nfs/dbraw/zinc/79/62/18/1001796218.db2.gz BQJRNAONFZUEFJ-DJPFJPOOSA-N 1 2 423.916 3.602 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507081852 1001796223 /nfs/dbraw/zinc/79/62/23/1001796223.db2.gz BQJRNAONFZUEFJ-DJPFJPOOSA-N 1 2 423.916 3.602 20 30 HHEDLO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000507086542 1001798752 /nfs/dbraw/zinc/79/87/52/1001798752.db2.gz HNZPEQGGWIMQLI-IRLDBZIGSA-N 1 2 421.451 3.506 20 30 HHEDLO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000507086542 1001798754 /nfs/dbraw/zinc/79/87/54/1001798754.db2.gz HNZPEQGGWIMQLI-IRLDBZIGSA-N 1 2 421.451 3.506 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000507259613 1001944074 /nfs/dbraw/zinc/94/40/74/1001944074.db2.gz GOKRGARXOOWNMF-HSZRJFAPSA-N 1 2 407.514 3.578 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000507259613 1001944080 /nfs/dbraw/zinc/94/40/80/1001944080.db2.gz GOKRGARXOOWNMF-HSZRJFAPSA-N 1 2 407.514 3.578 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3ccc(Br)cc3)CC2)cc1 ZINC000498582133 1001994352 /nfs/dbraw/zinc/99/43/52/1001994352.db2.gz DBTZBXHXHMNEEA-SFTDATJTSA-N 1 2 424.342 3.769 20 30 HHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000507408704 1002055055 /nfs/dbraw/zinc/05/50/55/1002055055.db2.gz XSLIBYNEUDNLRM-KRWDZBQOSA-N 1 2 408.889 3.904 20 30 HHEDLO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncc(Br)s1 ZINC000507447176 1002076007 /nfs/dbraw/zinc/07/60/07/1002076007.db2.gz HDSNEGIQHOHGLO-FZMZJTMJSA-N 1 2 405.321 3.623 20 30 HHEDLO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000508498251 1002981399 /nfs/dbraw/zinc/98/13/99/1002981399.db2.gz QUNLZZFXVNMPFK-QGZVFWFLSA-N 1 2 424.499 3.996 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cc(Br)cs3)CC2)cc1 ZINC000499730578 1003077203 /nfs/dbraw/zinc/07/72/03/1003077203.db2.gz CHROGNBGOJJCLO-UHFFFAOYSA-N 1 2 418.360 3.659 20 30 HHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508885794 1003310294 /nfs/dbraw/zinc/31/02/94/1003310294.db2.gz UBRFMSQOZCONCO-UHFFFAOYSA-N 1 2 413.909 3.612 20 30 HHEDLO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508938341 1003387564 /nfs/dbraw/zinc/38/75/64/1003387564.db2.gz IYECLOFGISEKAG-UHFFFAOYSA-N 1 2 418.932 3.978 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000509212853 1003628207 /nfs/dbraw/zinc/62/82/07/1003628207.db2.gz RUMRALOKBBHBPN-GOSISDBHSA-N 1 2 422.529 3.522 20 30 HHEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)cn2c1 ZINC000512109797 1004029507 /nfs/dbraw/zinc/02/95/07/1004029507.db2.gz LMRGPWPMULNRTO-UHFFFAOYSA-N 1 2 420.473 3.711 20 30 HHEDLO C=C(C)C[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1ccc(CO)o1 ZINC000512179415 1004081845 /nfs/dbraw/zinc/08/18/45/1004081845.db2.gz MEWVWDUVXKBAHQ-UHFFFAOYSA-N 1 2 412.511 3.512 20 30 HHEDLO C=C(C)C[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1ccc(CO)o1 ZINC000512179415 1004081850 /nfs/dbraw/zinc/08/18/50/1004081850.db2.gz MEWVWDUVXKBAHQ-UHFFFAOYSA-N 1 2 412.511 3.512 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)c(F)c1 ZINC000512203931 1004105239 /nfs/dbraw/zinc/10/52/39/1004105239.db2.gz RSNJRPQDOAGSHX-UHFFFAOYSA-N 1 2 402.473 3.994 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3OCc3ccncc3)CC2)c(F)c1 ZINC000512238214 1004140474 /nfs/dbraw/zinc/14/04/74/1004140474.db2.gz YSJRMEQHCSEIMK-UHFFFAOYSA-N 1 2 402.473 3.994 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](NC(=O)CC)C2)cc1OC ZINC000512416729 1004283811 /nfs/dbraw/zinc/28/38/11/1004283811.db2.gz VCRAGGJJENQQOH-HNNXBMFYSA-N 1 2 411.340 3.513 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](NC(=O)CC)C2)cc1OC ZINC000512416729 1004283822 /nfs/dbraw/zinc/28/38/22/1004283822.db2.gz VCRAGGJJENQQOH-HNNXBMFYSA-N 1 2 411.340 3.513 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4cccc(Br)c4)CC3)CC2)cc1 ZINC000512493725 1004342051 /nfs/dbraw/zinc/34/20/51/1004342051.db2.gz CLNAVMGTUCYOIV-UHFFFAOYSA-N 1 2 424.342 3.697 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000501605168 1004547418 /nfs/dbraw/zinc/54/74/18/1004547418.db2.gz SMQFGQGZCBYJCN-POHAHGRESA-N 1 2 416.569 3.881 20 30 HHEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512834454 1004593756 /nfs/dbraw/zinc/59/37/56/1004593756.db2.gz RPCAHQFFCLJFEW-OAHLLOKOSA-N 1 2 424.476 3.526 20 30 HHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000510796846 1004858067 /nfs/dbraw/zinc/85/80/67/1004858067.db2.gz UREYCZVNBAMZAJ-UHFFFAOYSA-N 1 2 413.481 3.543 20 30 HHEDLO Cc1cc(C(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)n1C1CC1 ZINC000502175126 1004938890 /nfs/dbraw/zinc/93/88/90/1004938890.db2.gz QONPXYHJJIMTMF-UHFFFAOYSA-N 1 2 404.514 3.845 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502176742 1004939995 /nfs/dbraw/zinc/93/99/95/1004939995.db2.gz UWPXSSMFNMYEHA-CQSZACIVSA-N 1 2 412.440 3.514 20 30 HHEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513667967 1005074450 /nfs/dbraw/zinc/07/44/50/1005074450.db2.gz XVCFYHSSDQZQEJ-FQRUVTKNSA-N 1 2 422.488 3.784 20 30 HHEDLO N#C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513667967 1005074455 /nfs/dbraw/zinc/07/44/55/1005074455.db2.gz XVCFYHSSDQZQEJ-FQRUVTKNSA-N 1 2 422.488 3.784 20 30 HHEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513667968 1005074766 /nfs/dbraw/zinc/07/47/66/1005074766.db2.gz XVCFYHSSDQZQEJ-IBVKSMDESA-N 1 2 422.488 3.784 20 30 HHEDLO N#C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513667968 1005074772 /nfs/dbraw/zinc/07/47/72/1005074772.db2.gz XVCFYHSSDQZQEJ-IBVKSMDESA-N 1 2 422.488 3.784 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(C#N)cc2Cl)c(C)c1 ZINC000503765341 1005490673 /nfs/dbraw/zinc/49/06/73/1005490673.db2.gz NDMUVYHIRAYMJN-IBGZPJMESA-N 1 2 414.918 3.745 20 30 HHEDLO C=CCOc1cc(OC)ccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000504268432 1005586184 /nfs/dbraw/zinc/58/61/84/1005586184.db2.gz VMIZECHVGKJJLZ-UHFFFAOYSA-N 1 2 407.470 3.809 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCCSCC2)c1C#N ZINC000534130820 1006109763 /nfs/dbraw/zinc/10/97/63/1006109763.db2.gz ZBAFHAFBBMAABG-UHFFFAOYSA-N 1 2 400.523 3.541 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCCSCC2)c1C#N ZINC000534130820 1006109770 /nfs/dbraw/zinc/10/97/70/1006109770.db2.gz ZBAFHAFBBMAABG-UHFFFAOYSA-N 1 2 400.523 3.541 20 30 HHEDLO N#Cc1csc(CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000515259268 1006366429 /nfs/dbraw/zinc/36/64/29/1006366429.db2.gz AEZDBBTVNJNLKF-UHFFFAOYSA-N 1 2 418.566 3.939 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)CC2)cc1 ZINC000516272543 1006986237 /nfs/dbraw/zinc/98/62/37/1006986237.db2.gz PNPQYQRERAQBOW-ZEQRLZLVSA-N 1 2 418.541 3.553 20 30 HHEDLO CC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H](C)CS(=O)(=O)CC ZINC000538731712 1007013064 /nfs/dbraw/zinc/01/30/64/1007013064.db2.gz HZJYCEFEYDAPIN-GOSISDBHSA-N 1 2 400.544 3.782 20 30 HHEDLO CC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H](C)CS(=O)(=O)CC ZINC000538731712 1007013076 /nfs/dbraw/zinc/01/30/76/1007013076.db2.gz HZJYCEFEYDAPIN-GOSISDBHSA-N 1 2 400.544 3.782 20 30 HHEDLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000535059546 1007084817 /nfs/dbraw/zinc/08/48/17/1007084817.db2.gz WDOCCRNLMYCNSS-HXUWFJFHSA-N 1 2 421.884 3.641 20 30 HHEDLO COc1ccc(Cl)cc1N1C(=O)C[C@@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000535059546 1007084830 /nfs/dbraw/zinc/08/48/30/1007084830.db2.gz WDOCCRNLMYCNSS-HXUWFJFHSA-N 1 2 421.884 3.641 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000532918303 1007290286 /nfs/dbraw/zinc/29/02/86/1007290286.db2.gz SWCFUOSZUGZRCH-GOSISDBHSA-N 1 2 410.484 3.509 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000532918303 1007290297 /nfs/dbraw/zinc/29/02/97/1007290297.db2.gz SWCFUOSZUGZRCH-GOSISDBHSA-N 1 2 410.484 3.509 20 30 HHEDLO COc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)cc1 ZINC000532919160 1007291396 /nfs/dbraw/zinc/29/13/96/1007291396.db2.gz QJAHYEDVLAQQNA-UHFFFAOYSA-N 1 2 411.527 3.793 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000533238582 1007559879 /nfs/dbraw/zinc/55/98/79/1007559879.db2.gz JFIWABONPCCNFH-MRXNPFEDSA-N 1 2 400.544 3.727 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000533238582 1007559886 /nfs/dbraw/zinc/55/98/86/1007559886.db2.gz JFIWABONPCCNFH-MRXNPFEDSA-N 1 2 400.544 3.727 20 30 HHEDLO C=CC[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1cccc(C#N)c1 ZINC000533248707 1007567664 /nfs/dbraw/zinc/56/76/64/1007567664.db2.gz LDDBDNROGRZKTC-UHFFFAOYSA-N 1 2 403.507 3.908 20 30 HHEDLO C=CC[N@@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1cccc(C#N)c1 ZINC000533248707 1007567674 /nfs/dbraw/zinc/56/76/74/1007567674.db2.gz LDDBDNROGRZKTC-UHFFFAOYSA-N 1 2 403.507 3.908 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000533347238 1007655274 /nfs/dbraw/zinc/65/52/74/1007655274.db2.gz CGFOUDRTZALHLI-APWZRJJASA-N 1 2 411.468 3.574 20 30 HHEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533424527 1007733165 /nfs/dbraw/zinc/73/31/65/1007733165.db2.gz ABAJVXIBZXQRDE-KRWDZBQOSA-N 1 2 407.539 3.929 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000533426000 1007733833 /nfs/dbraw/zinc/73/38/33/1007733833.db2.gz BFJKFRFCOFASHZ-DLBZAZTESA-N 1 2 414.550 3.928 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000533426000 1007733843 /nfs/dbraw/zinc/73/38/43/1007733843.db2.gz BFJKFRFCOFASHZ-DLBZAZTESA-N 1 2 414.550 3.928 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1OC ZINC000535823073 1007836884 /nfs/dbraw/zinc/83/68/84/1007836884.db2.gz DVOYIJPKPVOSIC-RDJZCZTQSA-N 1 2 414.365 3.729 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1OC ZINC000535823073 1007836890 /nfs/dbraw/zinc/83/68/90/1007836890.db2.gz DVOYIJPKPVOSIC-RDJZCZTQSA-N 1 2 414.365 3.729 20 30 HHEDLO N#CCCn1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c(-c2ccncc2)n1 ZINC000517952010 1008070234 /nfs/dbraw/zinc/07/02/34/1008070234.db2.gz LHSLGTZTXDFBKC-UHFFFAOYSA-N 1 2 402.380 3.807 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256109 1008228713 /nfs/dbraw/zinc/22/87/13/1008228713.db2.gz ZSLBXALUQRXVPN-HNNXBMFYSA-N 1 2 405.437 3.601 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256109 1008228717 /nfs/dbraw/zinc/22/87/17/1008228717.db2.gz ZSLBXALUQRXVPN-HNNXBMFYSA-N 1 2 405.437 3.601 20 30 HHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000540117106 1008296546 /nfs/dbraw/zinc/29/65/46/1008296546.db2.gz DNIQJZWHXRNQET-UHFFFAOYSA-N 1 2 419.529 3.759 20 30 HHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000519136231 1008557916 /nfs/dbraw/zinc/55/79/16/1008557916.db2.gz VJRURSRTRLCMRA-FDDCHVKYSA-N 1 2 407.514 3.994 20 30 HHEDLO C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1 ZINC000543498826 1009088551 /nfs/dbraw/zinc/08/85/51/1009088551.db2.gz PMJKUXSUOYYRBA-UHFFFAOYSA-N 1 2 416.485 3.957 20 30 HHEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546074172 1009096431 /nfs/dbraw/zinc/09/64/31/1009096431.db2.gz NYSQQICVBBLQEX-ZWKOTPCHSA-N 1 2 413.946 3.618 20 30 HHEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546074172 1009096445 /nfs/dbraw/zinc/09/64/45/1009096445.db2.gz NYSQQICVBBLQEX-ZWKOTPCHSA-N 1 2 413.946 3.618 20 30 HHEDLO O=C(NCC#Cc1cccc(F)c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000549585720 1009212284 /nfs/dbraw/zinc/21/22/84/1009212284.db2.gz XIQOWSYAZYJBBZ-UHFFFAOYSA-N 1 2 410.880 3.939 20 30 HHEDLO COc1cc(C[NH2+]Cc2c(Br)cncc2Br)ccc1C#N ZINC000520238711 1009358949 /nfs/dbraw/zinc/35/89/49/1009358949.db2.gz VDZAOHDOXCQUOH-UHFFFAOYSA-N 1 2 411.097 3.777 20 30 HHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 ZINC000549822886 1009433903 /nfs/dbraw/zinc/43/39/03/1009433903.db2.gz YPAKBUHYUIIXAI-KBPBESRZSA-N 1 2 418.419 3.834 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543950307 1009548048 /nfs/dbraw/zinc/54/80/48/1009548048.db2.gz MITPQIBBPJTNLW-KNQAVFIVSA-N 1 2 401.432 3.860 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543950307 1009548060 /nfs/dbraw/zinc/54/80/60/1009548060.db2.gz MITPQIBBPJTNLW-KNQAVFIVSA-N 1 2 401.432 3.860 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNc3c(C#N)nnc4ccccc43)[nH+]c12 ZINC000546757055 1009724213 /nfs/dbraw/zinc/72/42/13/1009724213.db2.gz CTEPXRFXJAHCKH-UHFFFAOYSA-N 1 2 407.275 3.875 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000546809284 1009769835 /nfs/dbraw/zinc/76/98/35/1009769835.db2.gz GEWPXGNFRSKQLH-UHFFFAOYSA-N 1 2 410.493 3.546 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000546809284 1009769848 /nfs/dbraw/zinc/76/98/48/1009769848.db2.gz GEWPXGNFRSKQLH-UHFFFAOYSA-N 1 2 410.493 3.546 20 30 HHEDLO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000544484071 1010108145 /nfs/dbraw/zinc/10/81/45/1010108145.db2.gz XQJGETWLRPJTOG-UONOGXRCSA-N 1 2 408.531 3.609 20 30 HHEDLO Cc1nc(N2CCN(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)cc[nH+]1 ZINC000544791583 1010387000 /nfs/dbraw/zinc/38/70/00/1010387000.db2.gz OKZVHWCMLMHHKA-UHFFFAOYSA-N 1 2 414.469 3.803 20 30 HHEDLO C=CCC[C@H](NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000521586930 1010483613 /nfs/dbraw/zinc/48/36/13/1010483613.db2.gz VGNLSPZBSLCFGN-NRFANRHFSA-N 1 2 406.530 3.512 20 30 HHEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2Cl)n1 ZINC000521751249 1010591814 /nfs/dbraw/zinc/59/18/14/1010591814.db2.gz YQVXHMMQPOLVPX-UHFFFAOYSA-N 1 2 419.916 3.570 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3c(Cl)cccc3Cl)CC2)cc1 ZINC000521781674 1010614242 /nfs/dbraw/zinc/61/42/42/1010614242.db2.gz GMOPBDHEQVOTCO-UHFFFAOYSA-N 1 2 403.313 3.892 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000548615423 1010683450 /nfs/dbraw/zinc/68/34/50/1010683450.db2.gz YUCWSCLTEOPGQL-RBUKOAKNSA-N 1 2 404.297 3.667 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2ccc(C#N)c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000548615423 1010683457 /nfs/dbraw/zinc/68/34/57/1010683457.db2.gz YUCWSCLTEOPGQL-RBUKOAKNSA-N 1 2 404.297 3.667 20 30 HHEDLO C=CCn1c(-c2ccc3ccccc3c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000548848290 1010744171 /nfs/dbraw/zinc/74/41/71/1010744171.db2.gz CDFGSDFLJDSFSH-UHFFFAOYSA-N 1 2 411.513 3.709 20 30 HHEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)nc1 ZINC000522110565 1010817101 /nfs/dbraw/zinc/81/71/01/1010817101.db2.gz XROSONFMMPGEEV-UHFFFAOYSA-N 1 2 406.486 3.779 20 30 HHEDLO N#Cc1cccc(OCc2ccoc2C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000522570545 1011085340 /nfs/dbraw/zinc/08/53/40/1011085340.db2.gz XHUUZNTXNJEDNR-UHFFFAOYSA-N 1 2 402.454 3.524 20 30 HHEDLO COC(=O)C1([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCCC1 ZINC000522783045 1011216524 /nfs/dbraw/zinc/21/65/24/1011216524.db2.gz YRESVYCKXUHYCM-UHFFFAOYSA-N 1 2 403.548 3.683 20 30 HHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000536180158 1011314555 /nfs/dbraw/zinc/31/45/55/1011314555.db2.gz LSSOHGNOVKVZHS-IBGZPJMESA-N 1 2 401.413 3.562 20 30 HHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000536180158 1011314567 /nfs/dbraw/zinc/31/45/67/1011314567.db2.gz LSSOHGNOVKVZHS-IBGZPJMESA-N 1 2 401.413 3.562 20 30 HHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000536264387 1011432529 /nfs/dbraw/zinc/43/25/29/1011432529.db2.gz OVGRHWALTWSLDE-IBGZPJMESA-N 1 2 424.476 3.818 20 30 HHEDLO C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H]1n1cc[nH+]c1 ZINC000541098016 1011744402 /nfs/dbraw/zinc/74/44/02/1011744402.db2.gz FCMHBWTVPUVKHG-RDTXWAMCSA-N 1 2 409.881 3.709 20 30 HHEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523706269 1012310118 /nfs/dbraw/zinc/31/01/18/1012310118.db2.gz BVQQCIZRHPOHRW-LJQANCHMSA-N 1 2 403.935 3.636 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000537025866 1012335990 /nfs/dbraw/zinc/33/59/90/1012335990.db2.gz LYLKCLDCTZHKLN-CQSZACIVSA-N 1 2 404.461 3.581 20 30 HHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1ccco1 ZINC000541627366 1012439237 /nfs/dbraw/zinc/43/92/37/1012439237.db2.gz VVNVTZNLVQGEDU-FQEVSTJZSA-N 1 2 418.497 3.737 20 30 HHEDLO N#Cc1ccccc1COc1cccc(CNc2ccc[nH+]c2N2CCOCC2)c1 ZINC000541852125 1012736684 /nfs/dbraw/zinc/73/66/84/1012736684.db2.gz NEHOZLRGZIHWIQ-UHFFFAOYSA-N 1 2 400.482 3.981 20 30 HHEDLO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](c2ccccc2)C1 ZINC000524131794 1012915852 /nfs/dbraw/zinc/91/58/52/1012915852.db2.gz MJJNFEKHDATKGZ-QFIPXVFZSA-N 1 2 401.466 3.859 20 30 HHEDLO C[N@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](c2ccccc2)C1 ZINC000524131794 1012915863 /nfs/dbraw/zinc/91/58/63/1012915863.db2.gz MJJNFEKHDATKGZ-QFIPXVFZSA-N 1 2 401.466 3.859 20 30 HHEDLO C[C@@H](c1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1)[NH+]1CCOCC1 ZINC000552950661 1012936116 /nfs/dbraw/zinc/93/61/16/1012936116.db2.gz ALFUWOFAMKJTHY-FXAWDEMLSA-N 1 2 422.504 3.556 20 30 HHEDLO C[C@H](c1cccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1)[NH+]1CCOCC1 ZINC000552950663 1012936854 /nfs/dbraw/zinc/93/68/54/1012936854.db2.gz ALFUWOFAMKJTHY-XLIONFOSSA-N 1 2 422.504 3.556 20 30 HHEDLO CC(C)(Oc1ccc(C#N)cc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497449 1071793116 /nfs/dbraw/zinc/79/31/16/1071793116.db2.gz MXTDNKHFKDWLMB-UHFFFAOYSA-N 1 2 404.470 3.755 20 30 HHEDLO CC1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000587127680 1072514477 /nfs/dbraw/zinc/51/44/77/1072514477.db2.gz VXEYQMMWHPJQJB-UHFFFAOYSA-N 1 2 410.905 3.503 20 30 HHEDLO C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000555220264 1073261300 /nfs/dbraw/zinc/26/13/00/1073261300.db2.gz VNUVBJJZSKFIDF-UHFFFAOYSA-N 1 2 423.590 3.516 20 30 HHEDLO COC(=O)c1cccc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1C#N ZINC000555428973 1073455913 /nfs/dbraw/zinc/45/59/13/1073455913.db2.gz SOEOOLAZGBDMQG-QGZVFWFLSA-N 1 2 412.795 3.840 20 30 HHEDLO N#Cc1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cnc1C(F)(F)F ZINC000590267693 1073721716 /nfs/dbraw/zinc/72/17/16/1073721716.db2.gz ZLRMDNGXOPLOEK-MRXNPFEDSA-N 1 2 415.375 3.596 20 30 HHEDLO N#Cc1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cnc1C(F)(F)F ZINC000590267693 1073721719 /nfs/dbraw/zinc/72/17/19/1073721719.db2.gz ZLRMDNGXOPLOEK-MRXNPFEDSA-N 1 2 415.375 3.596 20 30 HHEDLO CC(C)C[C@@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000590615115 1073942097 /nfs/dbraw/zinc/94/20/97/1073942097.db2.gz QWYZHVWHTREIME-RUZDIDTESA-N 1 2 418.585 3.970 20 30 HHEDLO CC(C)C[C@@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000590615115 1073942106 /nfs/dbraw/zinc/94/21/06/1073942106.db2.gz QWYZHVWHTREIME-RUZDIDTESA-N 1 2 418.585 3.970 20 30 HHEDLO C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000573356108 1074353780 /nfs/dbraw/zinc/35/37/80/1074353780.db2.gz NEYTVFFSXIRKLR-MRXNPFEDSA-N 1 2 409.449 3.689 20 30 HHEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001164918953 721821107 /nfs/dbraw/zinc/82/11/07/721821107.db2.gz JFRSVUAHKIGQMT-UHFFFAOYSA-N 1 2 406.921 3.706 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)c(OC)c1OC ZINC000301208989 970808784 /nfs/dbraw/zinc/80/87/84/970808784.db2.gz TUUOOHIFWOIBRE-UHFFFAOYSA-N 1 2 401.894 3.560 20 30 HHEDLO N#Cc1ccc(NCc2ccccc2OCC[NH+]2CCOCC2)c(Br)c1 ZINC000301872968 971093917 /nfs/dbraw/zinc/09/39/17/971093917.db2.gz QOLINRBMNHYKKJ-UHFFFAOYSA-N 1 2 416.319 3.644 20 30 HHEDLO N#Cc1ccccc1OCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303563967 971857858 /nfs/dbraw/zinc/85/78/58/971857858.db2.gz XTTGDBMKCMBVOY-SFHVURJKSA-N 1 2 401.869 3.510 20 30 HHEDLO N#Cc1ccccc1OCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000303563967 971857862 /nfs/dbraw/zinc/85/78/62/971857862.db2.gz XTTGDBMKCMBVOY-SFHVURJKSA-N 1 2 401.869 3.510 20 30 HHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1F ZINC000303582392 971874188 /nfs/dbraw/zinc/87/41/88/971874188.db2.gz PHNDAOUSJMBJDV-QGZVFWFLSA-N 1 2 421.472 3.747 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000010762578 961905900 /nfs/dbraw/zinc/90/59/00/961905900.db2.gz XTIGUGNCNYGZJL-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000010762578 961905906 /nfs/dbraw/zinc/90/59/06/961905906.db2.gz XTIGUGNCNYGZJL-UHFFFAOYSA-N 1 2 424.353 3.762 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ncc(-c4ccccc4F)o3)CC2)cc1 ZINC000014043606 962409096 /nfs/dbraw/zinc/40/90/96/962409096.db2.gz RTHHFJRFOQQCFF-UHFFFAOYSA-N 1 2 418.472 3.629 20 30 HHEDLO N#Cc1ccccc1CSc1nnc(-c2ccc(F)cc2)n1CC[NH+]1CCOCC1 ZINC000019283840 963359654 /nfs/dbraw/zinc/35/96/54/963359654.db2.gz TVIWHSVPHCMUQJ-UHFFFAOYSA-N 1 2 423.517 3.580 20 30 HHEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC(F)F ZINC000026453678 964570110 /nfs/dbraw/zinc/57/01/10/964570110.db2.gz PRZHUARUYLZIMP-GFCCVEGCSA-N 1 2 407.417 3.837 20 30 HHEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1OC(F)F ZINC000026453678 964570114 /nfs/dbraw/zinc/57/01/14/964570114.db2.gz PRZHUARUYLZIMP-GFCCVEGCSA-N 1 2 407.417 3.837 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161706 964825332 /nfs/dbraw/zinc/82/53/32/964825332.db2.gz IZGRJMPENIJRRC-UHFFFAOYSA-N 1 2 412.509 3.755 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161706 964825338 /nfs/dbraw/zinc/82/53/38/964825338.db2.gz IZGRJMPENIJRRC-UHFFFAOYSA-N 1 2 412.509 3.755 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000052876767 965010548 /nfs/dbraw/zinc/01/05/48/965010548.db2.gz KSDRCBFGONCAIW-UBQCRTFRSA-N 1 2 402.542 3.653 20 30 HHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000028656420 965148166 /nfs/dbraw/zinc/14/81/66/965148166.db2.gz AJRCUMSTYFIEEX-RBBKRZOGSA-N 1 2 411.933 3.921 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000542621394 1013556844 /nfs/dbraw/zinc/55/68/44/1013556844.db2.gz DFBAGPBUKAEKGF-IAGOWNOFSA-N 1 2 420.542 3.951 20 30 HHEDLO Cc1oc(NC(=O)CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c(C#N)c1C ZINC000029690056 965460444 /nfs/dbraw/zinc/46/04/44/965460444.db2.gz LPADPPAOQSWOGJ-OAHLLOKOSA-N 1 2 400.910 3.739 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000060467480 966157891 /nfs/dbraw/zinc/15/78/91/966157891.db2.gz ZTPGKDKLELLMRS-UHFFFAOYSA-N 1 2 400.385 3.730 20 30 HHEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000032432069 966250626 /nfs/dbraw/zinc/25/06/26/966250626.db2.gz YNADMPOXCAKSLQ-UHFFFAOYSA-N 1 2 423.516 3.726 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000056301036 966294339 /nfs/dbraw/zinc/29/43/39/966294339.db2.gz VKLJRDNFNQVKFY-UHFFFAOYSA-N 1 2 400.482 3.998 20 30 HHEDLO Cc1cc(C)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(OCc2ccccc2)n1 ZINC000553863735 1013664457 /nfs/dbraw/zinc/66/44/57/1013664457.db2.gz CYEARPZDYPWDSP-UHFFFAOYSA-N 1 2 413.525 3.866 20 30 HHEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042684151 966828118 /nfs/dbraw/zinc/82/81/18/966828118.db2.gz STDJQVQEAXLQMG-LJQANCHMSA-N 1 2 413.525 3.641 20 30 HHEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042684151 966828139 /nfs/dbraw/zinc/82/81/39/966828139.db2.gz STDJQVQEAXLQMG-LJQANCHMSA-N 1 2 413.525 3.641 20 30 HHEDLO COCC[N@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063754424 966947484 /nfs/dbraw/zinc/94/74/84/966947484.db2.gz FIMHPJWWAQYADQ-SFHVURJKSA-N 1 2 409.555 3.924 20 30 HHEDLO COCC[N@@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063754424 966947492 /nfs/dbraw/zinc/94/74/92/966947492.db2.gz FIMHPJWWAQYADQ-SFHVURJKSA-N 1 2 409.555 3.924 20 30 HHEDLO Cc1nc(SCC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(C#N)c(C)c1C ZINC000043805411 967038178 /nfs/dbraw/zinc/03/81/78/967038178.db2.gz CLEAVGJFJNNMAT-UHFFFAOYSA-N 1 2 419.554 3.574 20 30 HHEDLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@H+](C)Cc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000046526907 967841595 /nfs/dbraw/zinc/84/15/95/967841595.db2.gz UHQSRWNFACTBFW-ZDUSSCGKSA-N 1 2 410.499 3.534 20 30 HHEDLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000046526907 967841609 /nfs/dbraw/zinc/84/16/09/967841609.db2.gz UHQSRWNFACTBFW-ZDUSSCGKSA-N 1 2 410.499 3.534 20 30 HHEDLO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000048225140 968491623 /nfs/dbraw/zinc/49/16/23/968491623.db2.gz SEQHWHAPCAVBKP-UHFFFAOYSA-N 1 2 415.493 3.997 20 30 HHEDLO CC[C@H](C)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000105309393 969230091 /nfs/dbraw/zinc/23/00/91/969230091.db2.gz CNRCDJXUZHWPOT-IBGZPJMESA-N 1 2 411.571 3.968 20 30 HHEDLO CC[C@H](C)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000105309393 969230094 /nfs/dbraw/zinc/23/00/94/969230094.db2.gz CNRCDJXUZHWPOT-IBGZPJMESA-N 1 2 411.571 3.968 20 30 HHEDLO C=CCN(Cc1ccccc1F)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000108948979 969438621 /nfs/dbraw/zinc/43/86/21/969438621.db2.gz WANZWOUTBKSYHN-UHFFFAOYSA-N 1 2 406.461 3.879 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC(=O)Nc3cccc(C(C)C)c3)c2)n1 ZINC000110177745 969633337 /nfs/dbraw/zinc/63/33/37/969633337.db2.gz BEFGRDBIBCGSPZ-UHFFFAOYSA-N 1 2 419.529 3.947 20 30 HHEDLO CC(=O)Nc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000111121212 969781348 /nfs/dbraw/zinc/78/13/48/969781348.db2.gz XJYWJOBNBZIPMM-UHFFFAOYSA-N 1 2 411.893 3.520 20 30 HHEDLO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1nnnn1-c1ccccc1 ZINC000237453783 970291790 /nfs/dbraw/zinc/29/17/90/970291790.db2.gz ZNZLHQMNYYNMRI-GOSISDBHSA-N 1 2 410.481 3.964 20 30 HHEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554566065 1013979204 /nfs/dbraw/zinc/97/92/04/1013979204.db2.gz JHZGVVKYCYXHDD-OAHLLOKOSA-N 1 2 402.420 3.985 20 30 HHEDLO CCCC(=O)Nc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000409818101 973291463 /nfs/dbraw/zinc/29/14/63/973291463.db2.gz UYYXQYXOODBFJY-UHFFFAOYSA-N 1 2 419.529 3.955 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409877534 973344360 /nfs/dbraw/zinc/34/43/60/973344360.db2.gz SDMSCZKMBNFDSG-CTNGQTDRSA-N 1 2 423.879 3.712 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409877534 973344370 /nfs/dbraw/zinc/34/43/70/973344370.db2.gz SDMSCZKMBNFDSG-CTNGQTDRSA-N 1 2 423.879 3.712 20 30 HHEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)on2)c1 ZINC000410289059 973818207 /nfs/dbraw/zinc/81/82/07/973818207.db2.gz OFRQDPXKYHLLBH-GOSISDBHSA-N 1 2 401.470 3.766 20 30 HHEDLO N#CCC[C@H](C#N)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000427673623 975233749 /nfs/dbraw/zinc/23/37/49/975233749.db2.gz VXKPECXWPWXTJZ-CQSZACIVSA-N 1 2 409.271 3.578 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1 ZINC000428056682 975410016 /nfs/dbraw/zinc/41/00/16/975410016.db2.gz AXGHILQKXCSWKY-HXUWFJFHSA-N 1 2 409.555 3.691 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1 ZINC000428056682 975410036 /nfs/dbraw/zinc/41/00/36/975410036.db2.gz AXGHILQKXCSWKY-HXUWFJFHSA-N 1 2 409.555 3.691 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428719973 976008397 /nfs/dbraw/zinc/00/83/97/976008397.db2.gz QJXNMJAKGOOXJM-XLIONFOSSA-N 1 2 402.445 3.534 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428719973 976008399 /nfs/dbraw/zinc/00/83/99/976008399.db2.gz QJXNMJAKGOOXJM-XLIONFOSSA-N 1 2 402.445 3.534 20 30 HHEDLO Cc1cc(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1ccco1 ZINC000428796155 976072253 /nfs/dbraw/zinc/07/22/53/976072253.db2.gz UXPBEUQHMQKTIZ-WIYYLYMNSA-N 1 2 418.497 3.737 20 30 HHEDLO Cc1cc(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1ccco1 ZINC000428796155 976072264 /nfs/dbraw/zinc/07/22/64/976072264.db2.gz UXPBEUQHMQKTIZ-WIYYLYMNSA-N 1 2 418.497 3.737 20 30 HHEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000428811538 976090467 /nfs/dbraw/zinc/09/04/67/976090467.db2.gz VODCWJPQYIDJMK-CJNGLKHVSA-N 1 2 419.312 3.591 20 30 HHEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1Cl ZINC000428811538 976090485 /nfs/dbraw/zinc/09/04/85/976090485.db2.gz VODCWJPQYIDJMK-CJNGLKHVSA-N 1 2 419.312 3.591 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)nc1 ZINC000428820985 976101759 /nfs/dbraw/zinc/10/17/59/976101759.db2.gz UHIVJXQIIGGAAN-QWXGXRTQSA-N 1 2 410.326 3.521 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)nc1 ZINC000428820985 976101768 /nfs/dbraw/zinc/10/17/68/976101768.db2.gz UHIVJXQIIGGAAN-QWXGXRTQSA-N 1 2 410.326 3.521 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000429171044 976460196 /nfs/dbraw/zinc/46/01/96/976460196.db2.gz MHJHGTUFLVEZNL-GOSISDBHSA-N 1 2 406.960 3.852 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000429171044 976460204 /nfs/dbraw/zinc/46/02/04/976460204.db2.gz MHJHGTUFLVEZNL-GOSISDBHSA-N 1 2 406.960 3.852 20 30 HHEDLO CCOC(=O)c1csc(C2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)n1 ZINC000429574330 976843154 /nfs/dbraw/zinc/84/31/54/976843154.db2.gz QKAILNGOWFERHK-UHFFFAOYSA-N 1 2 423.498 3.621 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000429736079 977026699 /nfs/dbraw/zinc/02/66/99/977026699.db2.gz HMGKFOHILZJPDQ-UHFFFAOYSA-N 1 2 407.518 3.698 20 30 HHEDLO C=CCN1C(=O)N(Cc2ccc(-n3cc[nH+]c3)c(F)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000431039593 977971200 /nfs/dbraw/zinc/97/12/00/977971200.db2.gz IMNBNGXEYZFHTB-OAQYLSRUSA-N 1 2 404.445 3.573 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000431905210 978590045 /nfs/dbraw/zinc/59/00/45/978590045.db2.gz ZKRVRUMJIXGQFV-UHFFFAOYSA-N 1 2 418.453 3.523 20 30 HHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc2)cc1 ZINC000432731766 978952342 /nfs/dbraw/zinc/95/23/42/978952342.db2.gz ZYGHIAQXWIULBS-FQEVSTJZSA-N 1 2 406.486 3.679 20 30 HHEDLO N#CC1CCN(Cc2ccc(Br)cc2C[NH+]2CCC(C#N)CC2)CC1 ZINC000432958691 979024464 /nfs/dbraw/zinc/02/44/64/979024464.db2.gz HRCUARPXSDJTOC-UHFFFAOYSA-N 1 2 401.352 3.920 20 30 HHEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(C#N)c1C ZINC000434773979 980392171 /nfs/dbraw/zinc/39/21/71/980392171.db2.gz HOAKBMUSOZJTHB-WMZOPIPTSA-N 1 2 408.285 3.604 20 30 HHEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c(C#N)c1C ZINC000434773979 980392179 /nfs/dbraw/zinc/39/21/79/980392179.db2.gz HOAKBMUSOZJTHB-WMZOPIPTSA-N 1 2 408.285 3.604 20 30 HHEDLO Cc1c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1-c1ccccc1F ZINC000435555520 980939346 /nfs/dbraw/zinc/93/93/46/980939346.db2.gz GSAJDMAFOPRMNY-UHFFFAOYSA-N 1 2 418.476 3.541 20 30 HHEDLO C=CCC[C@H](NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000435745202 981012890 /nfs/dbraw/zinc/01/28/90/981012890.db2.gz KOWRNGOTDWTZEF-CVDCTZTESA-N 1 2 421.541 3.842 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000437152641 981802508 /nfs/dbraw/zinc/80/25/08/981802508.db2.gz FBLKYHAZJHAZDQ-KRWDZBQOSA-N 1 2 404.392 3.695 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000437152641 981802518 /nfs/dbraw/zinc/80/25/18/981802518.db2.gz FBLKYHAZJHAZDQ-KRWDZBQOSA-N 1 2 404.392 3.695 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000437886604 982437627 /nfs/dbraw/zinc/43/76/27/982437627.db2.gz DFCWTLRPHBKOCG-YLJYHZDGSA-N 1 2 412.896 3.734 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccco3)C2)c1C#N ZINC000438547672 982886629 /nfs/dbraw/zinc/88/66/29/982886629.db2.gz UJZHLEVUNPSRJJ-OAQYLSRUSA-N 1 2 422.485 3.613 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccco3)C2)c1C#N ZINC000438547672 982886639 /nfs/dbraw/zinc/88/66/39/982886639.db2.gz UJZHLEVUNPSRJJ-OAQYLSRUSA-N 1 2 422.485 3.613 20 30 HHEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[NH+]1CCOCC1 ZINC000438671314 982990068 /nfs/dbraw/zinc/99/00/68/982990068.db2.gz YKBSTARLVJYDHJ-JKSUJKDBSA-N 1 2 412.465 3.720 20 30 HHEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@H](c3ccccc3)[NH+]3CCOCC3)c2c1 ZINC000439110623 983254579 /nfs/dbraw/zinc/25/45/79/983254579.db2.gz ZYLDQMVKOVBAMB-OAQYLSRUSA-N 1 2 418.497 3.609 20 30 HHEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3ccccc3Br)CC2)cc1 ZINC000439262823 983337163 /nfs/dbraw/zinc/33/71/63/983337163.db2.gz ZXZFFXNPMUBEFT-UHFFFAOYSA-N 1 2 412.331 3.817 20 30 HHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000439812209 983547667 /nfs/dbraw/zinc/54/76/67/983547667.db2.gz SOKBSPHSAPLJQT-YWZLYKJASA-N 1 2 411.937 3.683 20 30 HHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000439812209 983547669 /nfs/dbraw/zinc/54/76/69/983547669.db2.gz SOKBSPHSAPLJQT-YWZLYKJASA-N 1 2 411.937 3.683 20 30 HHEDLO N#Cc1c(Br)cccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000439956557 983594211 /nfs/dbraw/zinc/59/42/11/983594211.db2.gz AZAHFGOGNHEGRZ-UHFFFAOYSA-N 1 2 416.319 3.644 20 30 HHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000440098282 983643604 /nfs/dbraw/zinc/64/36/04/983643604.db2.gz GPBJMKSAAOSQIS-YCRPNKLZSA-N 1 2 412.484 3.913 20 30 HHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000440098282 983643606 /nfs/dbraw/zinc/64/36/06/983643606.db2.gz GPBJMKSAAOSQIS-YCRPNKLZSA-N 1 2 412.484 3.913 20 30 HHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000441364929 984210442 /nfs/dbraw/zinc/21/04/42/984210442.db2.gz NWOIOIKCGBQGKP-SFHVURJKSA-N 1 2 402.970 3.703 20 30 HHEDLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000441447149 984256525 /nfs/dbraw/zinc/25/65/25/984256525.db2.gz ZJNKMCKOGYGHEF-NRFANRHFSA-N 1 2 415.484 3.993 20 30 HHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441490892 984283425 /nfs/dbraw/zinc/28/34/25/984283425.db2.gz MXYBWLFXAUOKKQ-HSZRJFAPSA-N 1 2 418.545 3.717 20 30 HHEDLO CCN(C(=O)c1ccc(C#N)c(O)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000442971735 985309499 /nfs/dbraw/zinc/30/94/99/985309499.db2.gz LCSUQSFDVWHWNR-UHFFFAOYSA-N 1 2 407.518 3.617 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2cccc(Cl)c2C#N)c(C)c1 ZINC000443381031 985540921 /nfs/dbraw/zinc/54/09/21/985540921.db2.gz BHFNNUXPBRNNDT-IBGZPJMESA-N 1 2 414.918 3.745 20 30 HHEDLO COC(=O)c1ccccc1CC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000463231076 986198699 /nfs/dbraw/zinc/19/86/99/986198699.db2.gz VJRDNVOGXNBQPO-INIZCTEOSA-N 1 2 423.513 3.836 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNc3ccc([N+](=O)[O-])c(C#N)c3)[nH+]c12 ZINC000463479532 986456043 /nfs/dbraw/zinc/45/60/43/986456043.db2.gz SEKBBWIVXREDOS-UHFFFAOYSA-N 1 2 400.236 3.840 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468843875 986554291 /nfs/dbraw/zinc/55/42/91/986554291.db2.gz DXFCFNODLCSNLA-UHFFFAOYSA-N 1 2 415.497 3.987 20 30 HHEDLO COc1cc(Br)c(OCC[N@H+](C)[C@H](C)CC#N)cc1Br ZINC000469114126 986829890 /nfs/dbraw/zinc/82/98/90/986829890.db2.gz UZFMKOWKAUSCDQ-SNVBAGLBSA-N 1 2 406.118 3.833 20 30 HHEDLO COc1cc(Br)c(OCC[N@@H+](C)[C@H](C)CC#N)cc1Br ZINC000469114126 986829903 /nfs/dbraw/zinc/82/99/03/986829903.db2.gz UZFMKOWKAUSCDQ-SNVBAGLBSA-N 1 2 406.118 3.833 20 30 HHEDLO Cc1cc(Br)ccc1C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000444693206 986869658 /nfs/dbraw/zinc/86/96/58/986869658.db2.gz NNFIXVVPMKTVRF-UHFFFAOYSA-N 1 2 407.333 3.535 20 30 HHEDLO Cc1cc(Br)ccc1C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000444693206 986869667 /nfs/dbraw/zinc/86/96/67/986869667.db2.gz NNFIXVVPMKTVRF-UHFFFAOYSA-N 1 2 407.333 3.535 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000469211220 986934440 /nfs/dbraw/zinc/93/44/40/986934440.db2.gz LYLDYJGBYQDRNH-QFIPXVFZSA-N 1 2 406.530 3.901 20 30 HHEDLO Cc1cccc2nc(C3CC[NH+](CCS(=O)(=O)c4ccc(C#N)cc4)CC3)oc21 ZINC000444781034 986938064 /nfs/dbraw/zinc/93/80/64/986938064.db2.gz HJSHBIPOBJOTRK-UHFFFAOYSA-N 1 2 409.511 3.661 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000469296184 987011848 /nfs/dbraw/zinc/01/18/48/987011848.db2.gz IWYAGVMGGLEHPX-NQIIRXRSSA-N 1 2 408.408 3.667 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccc(F)c(F)c1 ZINC000469296184 987011860 /nfs/dbraw/zinc/01/18/60/987011860.db2.gz IWYAGVMGGLEHPX-NQIIRXRSSA-N 1 2 408.408 3.667 20 30 HHEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000470180192 988096686 /nfs/dbraw/zinc/09/66/86/988096686.db2.gz JQQDSQGUMQZZSV-VBKFSLOCSA-N 1 2 419.441 3.940 20 30 HHEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@H](CC)CN1C(C)=O ZINC000470205761 988129347 /nfs/dbraw/zinc/12/93/47/988129347.db2.gz GBCIHJFVBINHII-RTBURBONSA-N 1 2 418.969 3.616 20 30 HHEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@H](CC)CN1C(C)=O ZINC000470205761 988129352 /nfs/dbraw/zinc/12/93/52/988129352.db2.gz GBCIHJFVBINHII-RTBURBONSA-N 1 2 418.969 3.616 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1O ZINC000470360730 988325887 /nfs/dbraw/zinc/32/58/87/988325887.db2.gz FSUAFFDWCBRCKJ-UHFFFAOYSA-N 1 2 401.894 3.741 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1O ZINC000470360730 988325903 /nfs/dbraw/zinc/32/59/03/988325903.db2.gz FSUAFFDWCBRCKJ-UHFFFAOYSA-N 1 2 401.894 3.741 20 30 HHEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000470890910 988963934 /nfs/dbraw/zinc/96/39/34/988963934.db2.gz DNORELJUMAAUCJ-FQEVSTJZSA-N 1 2 423.480 3.516 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471999296 990167658 /nfs/dbraw/zinc/16/76/58/990167658.db2.gz SLWRVCQJRPOLPB-AEFFLSMTSA-N 1 2 404.877 3.546 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471999296 990167662 /nfs/dbraw/zinc/16/76/62/990167662.db2.gz SLWRVCQJRPOLPB-AEFFLSMTSA-N 1 2 404.877 3.546 20 30 HHEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1cccc(Cl)c1 ZINC000466174563 991366740 /nfs/dbraw/zinc/36/67/40/991366740.db2.gz BSQFSPXWDFUTKW-KRWDZBQOSA-N 1 2 412.921 3.506 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472490661 993492404 /nfs/dbraw/zinc/49/24/04/993492404.db2.gz ZIETYSQXNKFZIJ-BVYCBKJFSA-N 1 2 424.907 3.985 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472490661 993492409 /nfs/dbraw/zinc/49/24/09/993492409.db2.gz ZIETYSQXNKFZIJ-BVYCBKJFSA-N 1 2 424.907 3.985 20 30 HHEDLO N#Cc1cccc(OCCCCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000474646316 995592280 /nfs/dbraw/zinc/59/22/80/995592280.db2.gz JCCHNXJVZICCCX-UHFFFAOYSA-N 1 2 411.933 3.935 20 30 HHEDLO N#Cc1cccc(OCCCCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000474646316 995592287 /nfs/dbraw/zinc/59/22/87/995592287.db2.gz JCCHNXJVZICCCX-UHFFFAOYSA-N 1 2 411.933 3.935 20 30 HHEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)ccn1 ZINC000474696218 995637712 /nfs/dbraw/zinc/63/77/12/995637712.db2.gz FVIICOVMCFTZPH-UHFFFAOYSA-N 1 2 406.486 3.779 20 30 HHEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)ccn1 ZINC000474787905 995711237 /nfs/dbraw/zinc/71/12/37/995711237.db2.gz NYTQDNNEEFJBBW-UHFFFAOYSA-N 1 2 406.486 3.779 20 30 HHEDLO C=CCCC1(C(=O)N2CC[NH+](CCCc3nc(-c4ccc(C)cc4)no3)CC2)CC1 ZINC000474787802 995711246 /nfs/dbraw/zinc/71/12/46/995711246.db2.gz BFVHHJUQHXMJCM-UHFFFAOYSA-N 1 2 408.546 3.868 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000475661727 996284445 /nfs/dbraw/zinc/28/44/45/996284445.db2.gz MHYJKPNBBNQLFG-UHFFFAOYSA-N 1 2 410.424 3.565 20 30 HHEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2nc3c(s2)CCCC3)c(OC)c1 ZINC000475749170 996346912 /nfs/dbraw/zinc/34/69/12/996346912.db2.gz PIAICTPNHQOTJS-KRWDZBQOSA-N 1 2 402.560 3.631 20 30 HHEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2nc3c(s2)CCCC3)c(OC)c1 ZINC000475749170 996346916 /nfs/dbraw/zinc/34/69/16/996346916.db2.gz PIAICTPNHQOTJS-KRWDZBQOSA-N 1 2 402.560 3.631 20 30 HHEDLO C=CCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000476877510 997456648 /nfs/dbraw/zinc/45/66/48/997456648.db2.gz BENYGAJVJOPENH-UGKGYDQZSA-N 1 2 423.557 3.827 20 30 HHEDLO C=CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000476877510 997456650 /nfs/dbraw/zinc/45/66/50/997456650.db2.gz BENYGAJVJOPENH-UGKGYDQZSA-N 1 2 423.557 3.827 20 30 HHEDLO CC(C)[N@@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477490138 998211267 /nfs/dbraw/zinc/21/12/67/998211267.db2.gz FLAWATZPJQHOBX-QZTJIDSGSA-N 1 2 413.946 3.616 20 30 HHEDLO CC(C)[N@H+]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477490138 998211276 /nfs/dbraw/zinc/21/12/76/998211276.db2.gz FLAWATZPJQHOBX-QZTJIDSGSA-N 1 2 413.946 3.616 20 30 HHEDLO Cc1cc[nH+]c(N2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1 ZINC000486242835 998670727 /nfs/dbraw/zinc/67/07/27/998670727.db2.gz OSOXPLURNXBHGH-KRWDZBQOSA-N 1 2 423.586 3.741 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(-c4[nH]cc[nH+]4)ccc3C)C2)n1 ZINC000478000055 998707442 /nfs/dbraw/zinc/70/74/42/998707442.db2.gz UMBROBLKXHHRPA-IBGZPJMESA-N 1 2 400.486 3.815 20 30 HHEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000478407998 998941880 /nfs/dbraw/zinc/94/18/80/998941880.db2.gz RPGWSDPKAGGUSM-UHFFFAOYSA-N 1 2 407.333 3.617 20 30 HHEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000478407998 998941884 /nfs/dbraw/zinc/94/18/84/998941884.db2.gz RPGWSDPKAGGUSM-UHFFFAOYSA-N 1 2 407.333 3.617 20 30 HHEDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000478420896 998948595 /nfs/dbraw/zinc/94/85/95/998948595.db2.gz PKCFSINOGGWELF-UHFFFAOYSA-N 1 2 405.523 3.911 20 30 HHEDLO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000478420896 998948602 /nfs/dbraw/zinc/94/86/02/998948602.db2.gz PKCFSINOGGWELF-UHFFFAOYSA-N 1 2 405.523 3.911 20 30 HHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(C#N)c1C ZINC000478967077 999226556 /nfs/dbraw/zinc/22/65/56/999226556.db2.gz RNFYZOZHXODNMJ-GOSISDBHSA-N 1 2 401.507 3.995 20 30 HHEDLO Cc1sc(NC(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(C#N)c1C ZINC000478967077 999226562 /nfs/dbraw/zinc/22/65/62/999226562.db2.gz RNFYZOZHXODNMJ-GOSISDBHSA-N 1 2 401.507 3.995 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000489109241 999701873 /nfs/dbraw/zinc/70/18/73/999701873.db2.gz KHFIQJZSMHZXJM-KRWDZBQOSA-N 1 2 415.584 3.547 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000489109241 999701875 /nfs/dbraw/zinc/70/18/75/999701875.db2.gz KHFIQJZSMHZXJM-KRWDZBQOSA-N 1 2 415.584 3.547 20 30 HHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000489646565 999809372 /nfs/dbraw/zinc/80/93/72/999809372.db2.gz HSMITMYASFAPGW-UHFFFAOYSA-N 1 2 417.282 3.706 20 30 HHEDLO C=CCC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000489772193 999835231 /nfs/dbraw/zinc/83/52/31/999835231.db2.gz QHZNMDHFJCGCJF-RTBURBONSA-N 1 2 411.468 3.875 20 30 HHEDLO C=CCC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000489772193 999835233 /nfs/dbraw/zinc/83/52/33/999835233.db2.gz QHZNMDHFJCGCJF-RTBURBONSA-N 1 2 411.468 3.875 20 30 HHEDLO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490355504 999943541 /nfs/dbraw/zinc/94/35/41/999943541.db2.gz PUKCZXVCZYUSNQ-UHFFFAOYSA-N 1 2 402.498 3.567 20 30 HHEDLO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490355504 999943543 /nfs/dbraw/zinc/94/35/43/999943543.db2.gz PUKCZXVCZYUSNQ-UHFFFAOYSA-N 1 2 402.498 3.567 20 30 HHEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000491093544 1000044838 /nfs/dbraw/zinc/04/48/38/1000044838.db2.gz WETQSVOTDFAURF-UHFFFAOYSA-N 1 2 408.303 3.586 20 30 HHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000492557140 1000132461 /nfs/dbraw/zinc/13/24/61/1000132461.db2.gz HPNINTOODZDZJK-HTAPYJJXSA-N 1 2 408.933 3.696 20 30 HHEDLO N#CCCCOc1cccnc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000504763790 1000359964 /nfs/dbraw/zinc/35/99/64/1000359964.db2.gz YAKGOBWZLLTYOR-KRWDZBQOSA-N 1 2 408.506 3.708 20 30 HHEDLO O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000494500423 1000526693 /nfs/dbraw/zinc/52/66/93/1000526693.db2.gz DPEIUUYOMLVWLH-UHFFFAOYSA-N 1 2 402.291 3.997 20 30 HHEDLO C=C[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000494689079 1000605220 /nfs/dbraw/zinc/60/52/20/1000605220.db2.gz YZLOCWLQELHWCX-OAQYLSRUSA-N 1 2 423.536 3.797 20 30 HHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1 ZINC000505578786 1000918239 /nfs/dbraw/zinc/91/82/39/1000918239.db2.gz KXUVCQGRTIAWIG-OAQYLSRUSA-N 1 2 400.507 3.891 20 30 HHEDLO N#C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000505788394 1001024473 /nfs/dbraw/zinc/02/44/73/1001024473.db2.gz BADVOUOFBLMDOC-LJQANCHMSA-N 1 2 407.861 3.560 20 30 HHEDLO C=CCc1cc(C[NH+]2CCN(Cc3ccc(OC)c(F)c3)CC2)cc(OC)c1O ZINC000506005012 1001156632 /nfs/dbraw/zinc/15/66/32/1001156632.db2.gz MXCGCZSISAWUIU-UHFFFAOYSA-N 1 2 400.494 3.595 20 30 HHEDLO C=CCOc1c(Br)cc(CN2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000506150998 1001250536 /nfs/dbraw/zinc/25/05/36/1001250536.db2.gz MUQPWYLXBZTFGM-UHFFFAOYSA-N 1 2 421.335 3.933 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3csc4ccccc34)CC2)cc1 ZINC000506203548 1001276938 /nfs/dbraw/zinc/27/69/38/1001276938.db2.gz BACUAJNOOKHSNW-UHFFFAOYSA-N 1 2 404.539 3.843 20 30 HHEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccccc3OC(F)F)CC2)c1 ZINC000506328413 1001357875 /nfs/dbraw/zinc/35/78/75/1001357875.db2.gz XXJPNWLEYFHPRJ-UHFFFAOYSA-N 1 2 402.441 3.811 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)c(OC)c1 ZINC000497992819 1001594833 /nfs/dbraw/zinc/59/48/33/1001594833.db2.gz IPAWAJPTLLLMQZ-UHFFFAOYSA-N 1 2 424.541 3.546 20 30 HHEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)c(F)c1 ZINC000507163554 1001852312 /nfs/dbraw/zinc/85/23/12/1001852312.db2.gz HDWATINMJYWRND-MRXNPFEDSA-N 1 2 424.303 3.566 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccccc3N3CCCCC3)CC2)cc1 ZINC000498465621 1001894246 /nfs/dbraw/zinc/89/42/46/1001894246.db2.gz ABSJYSYOTHDZGY-UHFFFAOYSA-N 1 2 417.557 3.576 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000507292276 1001976291 /nfs/dbraw/zinc/97/62/91/1001976291.db2.gz LTQQNTQPTWYNMT-NRFANRHFSA-N 1 2 415.541 3.633 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000507292277 1001976399 /nfs/dbraw/zinc/97/63/99/1001976399.db2.gz LTQQNTQPTWYNMT-OAQYLSRUSA-N 1 2 415.541 3.633 20 30 HHEDLO CCCCCC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000498664756 1002058313 /nfs/dbraw/zinc/05/83/13/1002058313.db2.gz WAXZXROHQJGHPI-HNNXBMFYSA-N 1 2 404.942 3.700 20 30 HHEDLO CCCCCC(=O)NC1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000498817642 1002201350 /nfs/dbraw/zinc/20/13/50/1002201350.db2.gz BGNGEPZGBAPNMK-UHFFFAOYSA-N 1 2 418.969 3.748 20 30 HHEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 ZINC000507871512 1002405053 /nfs/dbraw/zinc/40/50/53/1002405053.db2.gz WEJSHNDYOFVRHV-OAHLLOKOSA-N 1 2 408.456 3.515 20 30 HHEDLO N#CCCN(C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F)c1cccc(Cl)c1 ZINC000499941144 1003264774 /nfs/dbraw/zinc/26/47/74/1003264774.db2.gz CGEHKRZFUFBSLI-QGZVFWFLSA-N 1 2 410.276 3.702 20 30 HHEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000508933751 1003380132 /nfs/dbraw/zinc/38/01/32/1003380132.db2.gz ZTPTWTSRNHPHLE-UHFFFAOYSA-N 1 2 424.936 3.510 20 30 HHEDLO C=CCn1c(CCC(C)C)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000509003943 1003475348 /nfs/dbraw/zinc/47/53/48/1003475348.db2.gz ZXABCBZVYBFQRU-UHFFFAOYSA-N 1 2 401.530 3.523 20 30 HHEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(COc4ccc(C#N)cc4)c3)n2)C1 ZINC000500871274 1004017647 /nfs/dbraw/zinc/01/76/47/1004017647.db2.gz TZPPYBQOEBDRPZ-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(COc4ccc(C#N)cc4)c3)n2)C1 ZINC000500871274 1004017655 /nfs/dbraw/zinc/01/76/55/1004017655.db2.gz TZPPYBQOEBDRPZ-OAQYLSRUSA-N 1 2 404.470 3.969 20 30 HHEDLO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c1C#N ZINC000512114884 1004033788 /nfs/dbraw/zinc/03/37/88/1004033788.db2.gz ODWKZXBPWMBRBN-UHFFFAOYSA-N 1 2 421.570 3.552 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000512180506 1004082531 /nfs/dbraw/zinc/08/25/31/1004082531.db2.gz OKSIJSNTIQOYPT-CQSZACIVSA-N 1 2 407.308 3.940 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000512180506 1004082538 /nfs/dbraw/zinc/08/25/38/1004082538.db2.gz OKSIJSNTIQOYPT-CQSZACIVSA-N 1 2 407.308 3.940 20 30 HHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000509911732 1004202990 /nfs/dbraw/zinc/20/29/90/1004202990.db2.gz FUUCKVYOETYVAD-UHFFFAOYSA-N 1 2 401.470 3.567 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000512506639 1004348985 /nfs/dbraw/zinc/34/89/85/1004348985.db2.gz OHZCLCPDBYXBLF-OAQYLSRUSA-N 1 2 409.578 3.579 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000512506639 1004348992 /nfs/dbraw/zinc/34/89/92/1004348992.db2.gz OHZCLCPDBYXBLF-OAQYLSRUSA-N 1 2 409.578 3.579 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000512507335 1004349318 /nfs/dbraw/zinc/34/93/18/1004349318.db2.gz YDWMDOLUZGBTML-QGZVFWFLSA-N 1 2 400.523 3.887 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000512507335 1004349326 /nfs/dbraw/zinc/34/93/26/1004349326.db2.gz YDWMDOLUZGBTML-QGZVFWFLSA-N 1 2 400.523 3.887 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000512527091 1004361615 /nfs/dbraw/zinc/36/16/15/1004361615.db2.gz NNLQAJZOZVYKIN-LJQANCHMSA-N 1 2 423.561 3.996 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000512527091 1004361623 /nfs/dbraw/zinc/36/16/23/1004361623.db2.gz NNLQAJZOZVYKIN-LJQANCHMSA-N 1 2 423.561 3.996 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000512547660 1004375919 /nfs/dbraw/zinc/37/59/19/1004375919.db2.gz QTCVJQSQKQAYAB-GOSISDBHSA-N 1 2 412.534 3.964 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000512547660 1004375927 /nfs/dbraw/zinc/37/59/27/1004375927.db2.gz QTCVJQSQKQAYAB-GOSISDBHSA-N 1 2 412.534 3.964 20 30 HHEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000501422118 1004410563 /nfs/dbraw/zinc/41/05/63/1004410563.db2.gz TZSXYIMIXSLQNW-KRWDZBQOSA-N 1 2 422.710 3.578 20 30 HHEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000501422118 1004410572 /nfs/dbraw/zinc/41/05/72/1004410572.db2.gz TZSXYIMIXSLQNW-KRWDZBQOSA-N 1 2 422.710 3.578 20 30 HHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000512604790 1004418902 /nfs/dbraw/zinc/41/89/02/1004418902.db2.gz QIDPVSKWPOMKQD-UHFFFAOYSA-N 1 2 418.497 3.749 20 30 HHEDLO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806044 1004569970 /nfs/dbraw/zinc/56/99/70/1004569970.db2.gz PTBYENDHAXKHOR-UHFFFAOYSA-N 1 2 415.431 3.587 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c(Cl)c1 ZINC000510443169 1004570814 /nfs/dbraw/zinc/57/08/14/1004570814.db2.gz KMKBCSOZPHJVRT-SFHVURJKSA-N 1 2 415.902 3.614 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818351 1004578631 /nfs/dbraw/zinc/57/86/31/1004578631.db2.gz SHJDOLMAIGSTIF-ZDUSSCGKSA-N 1 2 402.857 3.616 20 30 HHEDLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512821018 1004580834 /nfs/dbraw/zinc/58/08/34/1004580834.db2.gz AEGCWAISHSWIKI-INIZCTEOSA-N 1 2 411.477 3.966 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCc2nccs2)c1C#N ZINC000510799492 1004859440 /nfs/dbraw/zinc/85/94/40/1004859440.db2.gz SFFXUSLYZOTNKP-UHFFFAOYSA-N 1 2 407.543 3.594 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCc2nccs2)c1C#N ZINC000510799492 1004859445 /nfs/dbraw/zinc/85/94/45/1004859445.db2.gz SFFXUSLYZOTNKP-UHFFFAOYSA-N 1 2 407.543 3.594 20 30 HHEDLO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502184526 1004944391 /nfs/dbraw/zinc/94/43/91/1004944391.db2.gz FEBKLWXNYCBLCS-HNNXBMFYSA-N 1 2 410.905 3.889 20 30 HHEDLO N#Cc1cccc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1F ZINC000510948792 1004949296 /nfs/dbraw/zinc/94/92/96/1004949296.db2.gz HGDREGNQUSSHHY-UHFFFAOYSA-N 1 2 403.255 3.952 20 30 HHEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)Cc2cccc(F)c2)cc1 ZINC000513429037 1004962199 /nfs/dbraw/zinc/96/21/99/1004962199.db2.gz AXZGRBBDFXBKCB-BJKOFHAPSA-N 1 2 421.516 3.870 20 30 HHEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)Cc2cccc(F)c2)cc1 ZINC000513429037 1004962202 /nfs/dbraw/zinc/96/22/02/1004962202.db2.gz AXZGRBBDFXBKCB-BJKOFHAPSA-N 1 2 421.516 3.870 20 30 HHEDLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(COc4ccccc4C#N)c3)sc2C1 ZINC000513541477 1005013881 /nfs/dbraw/zinc/01/38/81/1005013881.db2.gz RPEYWZSALQQPQJ-UHFFFAOYSA-N 1 2 404.495 3.834 20 30 HHEDLO C[N@H+]1CCc2nc(NC(=O)c3cccc(COc4ccccc4C#N)c3)sc2C1 ZINC000513541477 1005013885 /nfs/dbraw/zinc/01/38/85/1005013885.db2.gz RPEYWZSALQQPQJ-UHFFFAOYSA-N 1 2 404.495 3.834 20 30 HHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Cc1c(F)cccc1C#N ZINC000511169134 1005056256 /nfs/dbraw/zinc/05/62/56/1005056256.db2.gz IHYFLRHHVLKYQI-UHFFFAOYSA-N 1 2 420.488 3.954 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000513789827 1005128508 /nfs/dbraw/zinc/12/85/08/1005128508.db2.gz OBXKCOKBAXAVCL-GOSISDBHSA-N 1 2 418.946 3.776 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000513789827 1005128511 /nfs/dbraw/zinc/12/85/11/1005128511.db2.gz OBXKCOKBAXAVCL-GOSISDBHSA-N 1 2 418.946 3.776 20 30 HHEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 ZINC000511626157 1005250346 /nfs/dbraw/zinc/25/03/46/1005250346.db2.gz HCPIKTAQMAFXJO-UHFFFAOYSA-N 1 2 418.419 3.935 20 30 HHEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3csc(COc4ccccc4)n3)C2=O)cc1 ZINC000503947055 1005517288 /nfs/dbraw/zinc/51/72/88/1005517288.db2.gz QJCBJVPIBFHCEM-NRFANRHFSA-N 1 2 418.522 3.879 20 30 HHEDLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000504227409 1005577289 /nfs/dbraw/zinc/57/72/89/1005577289.db2.gz WYNCVKUTMJEDSU-HOYKHHGWSA-N 1 2 403.526 3.903 20 30 HHEDLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000504227409 1005577294 /nfs/dbraw/zinc/57/72/94/1005577294.db2.gz WYNCVKUTMJEDSU-HOYKHHGWSA-N 1 2 403.526 3.903 20 30 HHEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000514827028 1006157045 /nfs/dbraw/zinc/15/70/45/1006157045.db2.gz MCPJCVOCCVEQGP-KRWDZBQOSA-N 1 2 401.530 3.838 20 30 HHEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514838999 1006166682 /nfs/dbraw/zinc/16/66/82/1006166682.db2.gz UZTHQWLGGMCRAR-NRFANRHFSA-N 1 2 408.477 3.542 20 30 HHEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514838999 1006166692 /nfs/dbraw/zinc/16/66/92/1006166692.db2.gz UZTHQWLGGMCRAR-NRFANRHFSA-N 1 2 408.477 3.542 20 30 HHEDLO CCN(C(=O)Cc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000531392111 1006170095 /nfs/dbraw/zinc/17/00/95/1006170095.db2.gz IOULUGHTNXLDKK-UHFFFAOYSA-N 1 2 405.546 3.840 20 30 HHEDLO Cc1[nH]c(=O)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1-c1ccccc1 ZINC000531415122 1006181226 /nfs/dbraw/zinc/18/12/26/1006181226.db2.gz UAVLXBRWQJJLOM-UHFFFAOYSA-N 1 2 412.493 3.592 20 30 HHEDLO COCC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000531899238 1006506555 /nfs/dbraw/zinc/50/65/55/1006506555.db2.gz WOFOMVWUJTWXPX-INIZCTEOSA-N 1 2 401.457 3.504 20 30 HHEDLO COCC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)Cc1ccc(C#N)cc1 ZINC000531899238 1006506567 /nfs/dbraw/zinc/50/65/67/1006506567.db2.gz WOFOMVWUJTWXPX-INIZCTEOSA-N 1 2 401.457 3.504 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000532115190 1006648575 /nfs/dbraw/zinc/64/85/75/1006648575.db2.gz ZTAMSRIMNFISOQ-VQTJNVASSA-N 1 2 416.529 3.870 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000534729626 1006718322 /nfs/dbraw/zinc/71/83/22/1006718322.db2.gz RUZIOZVJRNJEKW-UHFFFAOYSA-N 1 2 408.546 3.745 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000534729626 1006718331 /nfs/dbraw/zinc/71/83/31/1006718331.db2.gz RUZIOZVJRNJEKW-UHFFFAOYSA-N 1 2 408.546 3.745 20 30 HHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000532351558 1006812015 /nfs/dbraw/zinc/81/20/15/1006812015.db2.gz BNGWBPZUPCWBSF-AVRWGWEMSA-N 1 2 421.541 3.659 20 30 HHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000532351558 1006812028 /nfs/dbraw/zinc/81/20/28/1006812028.db2.gz BNGWBPZUPCWBSF-AVRWGWEMSA-N 1 2 421.541 3.659 20 30 HHEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(C(=O)c4cc(F)ccc4F)CC3)C2=O)cc1 ZINC000532476700 1006916195 /nfs/dbraw/zinc/91/61/95/1006916195.db2.gz IXQXJCITEZFTSO-OAQYLSRUSA-N 1 2 409.436 3.537 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)cc1 ZINC000516272540 1006986485 /nfs/dbraw/zinc/98/64/85/1006986485.db2.gz PNPQYQRERAQBOW-BJKOFHAPSA-N 1 2 418.541 3.553 20 30 HHEDLO N#Cc1ccc(NC(=O)CCN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1Cl ZINC000532963339 1007330285 /nfs/dbraw/zinc/33/02/85/1007330285.db2.gz BQFRROPXOGQXKZ-DAXSKMNVSA-N 1 2 408.933 3.871 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000532973701 1007343211 /nfs/dbraw/zinc/34/32/11/1007343211.db2.gz QFIXILVJAUUDHI-QGZVFWFLSA-N 1 2 423.586 3.601 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)c1C#N ZINC000533026022 1007387177 /nfs/dbraw/zinc/38/71/77/1007387177.db2.gz RKSFGVVYNCHDTG-NRFANRHFSA-N 1 2 403.486 3.789 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccccn2)c1C#N ZINC000533026022 1007387193 /nfs/dbraw/zinc/38/71/93/1007387193.db2.gz RKSFGVVYNCHDTG-NRFANRHFSA-N 1 2 403.486 3.789 20 30 HHEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539117958 1007406595 /nfs/dbraw/zinc/40/65/95/1007406595.db2.gz QBKXXJJZQITASO-PMACEKPBSA-N 1 2 421.925 3.606 20 30 HHEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539117958 1007406606 /nfs/dbraw/zinc/40/66/06/1007406606.db2.gz QBKXXJJZQITASO-PMACEKPBSA-N 1 2 421.925 3.606 20 30 HHEDLO Cc1ccc2nc(NC(=O)C[N@@H+]3CCCN(c4ccccc4C#N)CC3)sc2c1 ZINC000533284578 1007596521 /nfs/dbraw/zinc/59/65/21/1007596521.db2.gz FUCZOSDZCZVYHU-UHFFFAOYSA-N 1 2 405.527 3.627 20 30 HHEDLO Cc1ccc2nc(NC(=O)C[N@H+]3CCCN(c4ccccc4C#N)CC3)sc2c1 ZINC000533284578 1007596530 /nfs/dbraw/zinc/59/65/30/1007596530.db2.gz FUCZOSDZCZVYHU-UHFFFAOYSA-N 1 2 405.527 3.627 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000533293366 1007608410 /nfs/dbraw/zinc/60/84/10/1007608410.db2.gz RSBNAHBCMYDTHY-OALUTQOASA-N 1 2 423.586 3.651 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000533295631 1007611681 /nfs/dbraw/zinc/61/16/81/1007611681.db2.gz GLVKMVQQGDLLRQ-FGZHOGPDSA-N 1 2 419.573 3.712 20 30 HHEDLO CC[C@H](C)n1ncc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000535702659 1007739354 /nfs/dbraw/zinc/73/93/54/1007739354.db2.gz WQVHTCDEFMBDKA-KRWDZBQOSA-N 1 2 406.534 3.953 20 30 HHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000535821773 1007836039 /nfs/dbraw/zinc/83/60/39/1007836039.db2.gz SFXVIJFEYCXHIX-UHFFFAOYSA-N 1 2 408.509 3.673 20 30 HHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000533763459 1008088468 /nfs/dbraw/zinc/08/84/68/1008088468.db2.gz OFTJKOKBCHFSOY-SFHVURJKSA-N 1 2 414.469 3.565 20 30 HHEDLO C=CCN1C(=O)c2ccc(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)cc2C1=O ZINC000533841999 1008150502 /nfs/dbraw/zinc/15/05/02/1008150502.db2.gz AHHOAQRUOCDUKZ-UHFFFAOYSA-N 1 2 424.460 3.636 20 30 HHEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000518295474 1008244971 /nfs/dbraw/zinc/24/49/71/1008244971.db2.gz OYIQFCMHOZLEDH-FQEVSTJZSA-N 1 2 412.921 3.791 20 30 HHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000543002524 1008580935 /nfs/dbraw/zinc/58/09/35/1008580935.db2.gz DYXCQPCXGZNFNI-UHFFFAOYSA-N 1 2 402.845 3.894 20 30 HHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000519896936 1009061850 /nfs/dbraw/zinc/06/18/50/1009061850.db2.gz LOVZBOUIDJPXLL-UHFFFAOYSA-N 1 2 420.557 3.758 20 30 HHEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000549689037 1009319515 /nfs/dbraw/zinc/31/95/15/1009319515.db2.gz WAQIALBGSNETRF-UHFFFAOYSA-N 1 2 401.942 3.586 20 30 HHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000550598297 1010055430 /nfs/dbraw/zinc/05/54/30/1010055430.db2.gz AFCIXCKSZMQMRP-SZNDQCEHSA-N 1 2 422.916 3.987 20 30 HHEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000544503343 1010124798 /nfs/dbraw/zinc/12/47/98/1010124798.db2.gz IKKJUUXAUGFGAG-UHFFFAOYSA-N 1 2 415.497 3.558 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNc3ccc(C#N)cc3[N+](=O)[O-])[nH+]c12 ZINC000544700908 1010311018 /nfs/dbraw/zinc/31/10/18/1010311018.db2.gz FGYBSSPEKQJIGQ-UHFFFAOYSA-N 1 2 400.236 3.840 20 30 HHEDLO Cc1nnc(SCC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c(C#N)c1C ZINC000551426004 1010579696 /nfs/dbraw/zinc/57/96/96/1010579696.db2.gz UQZZOEBTCSPURL-UHFFFAOYSA-N 1 2 423.586 3.525 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000521892429 1010690386 /nfs/dbraw/zinc/69/03/86/1010690386.db2.gz CDGOOUWJMLRRMA-UHFFFAOYSA-N 1 2 402.420 3.604 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1 ZINC000545223863 1010691534 /nfs/dbraw/zinc/69/15/34/1010691534.db2.gz IBSZNYSNXZIQMJ-FQEVSTJZSA-N 1 2 411.468 3.575 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865760 1010748049 /nfs/dbraw/zinc/74/80/49/1010748049.db2.gz KQBUMTPTYGLNKM-OAHLLOKOSA-N 1 2 400.429 3.567 20 30 HHEDLO C=CCN1CC[C@H](Sc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)C1=O ZINC000540768417 1011424390 /nfs/dbraw/zinc/42/43/90/1011424390.db2.gz IHOVZYPBSLDNRE-HKUYNNGSSA-N 1 2 411.575 3.693 20 30 HHEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000540787985 1011447846 /nfs/dbraw/zinc/44/78/46/1011447846.db2.gz QREVCWDRXBJLDD-UHFFFAOYSA-N 1 2 409.917 3.732 20 30 HHEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000536323120 1011519917 /nfs/dbraw/zinc/51/99/17/1011519917.db2.gz CNCRWXBEBGKDFJ-AEFFLSMTSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000536323120 1011519925 /nfs/dbraw/zinc/51/99/25/1011519925.db2.gz CNCRWXBEBGKDFJ-AEFFLSMTSA-N 1 2 410.326 3.589 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000540864803 1011540172 /nfs/dbraw/zinc/54/01/72/1011540172.db2.gz QHWWRBHRDVGLMX-YJBOKZPZSA-N 1 2 418.501 3.760 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000540864803 1011540180 /nfs/dbraw/zinc/54/01/80/1011540180.db2.gz QHWWRBHRDVGLMX-YJBOKZPZSA-N 1 2 418.501 3.760 20 30 HHEDLO C=CCc1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc(OC)c1OC ZINC000523148995 1011626713 /nfs/dbraw/zinc/62/67/13/1011626713.db2.gz JCHWNTODDCOYEH-UHFFFAOYSA-N 1 2 410.514 3.825 20 30 HHEDLO C[C@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000536418761 1011634784 /nfs/dbraw/zinc/63/47/84/1011634784.db2.gz CMXXCRAFLGENAA-HOTGVXAUSA-N 1 2 413.905 3.843 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1Cl ZINC000541127931 1011785809 /nfs/dbraw/zinc/78/58/09/1011785809.db2.gz MGBFVGURZYLEEC-CQSZACIVSA-N 1 2 411.815 3.703 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1Cl ZINC000541127931 1011785811 /nfs/dbraw/zinc/78/58/11/1011785811.db2.gz MGBFVGURZYLEEC-CQSZACIVSA-N 1 2 411.815 3.703 20 30 HHEDLO Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)ccc2[nH+]1 ZINC000541137866 1011796876 /nfs/dbraw/zinc/79/68/76/1011796876.db2.gz RCBPULXGAATNMW-KRWDZBQOSA-N 1 2 423.476 3.997 20 30 HHEDLO CC(C)(CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)[NH+]1CCOCC1 ZINC000523879491 1012578271 /nfs/dbraw/zinc/57/82/71/1012578271.db2.gz OEDJBGFJIGVKQN-UHFFFAOYSA-N 1 2 413.905 3.845 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc(C4(C#N)CC4)cc3)CCCC2)no1 ZINC000537456497 1012951340 /nfs/dbraw/zinc/95/13/40/1012951340.db2.gz SFCHLASLCWARJB-UHFFFAOYSA-N 1 2 407.518 3.666 20 30 HHEDLO Cc1ccnc(OC2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)c1 ZINC000542048314 1012956046 /nfs/dbraw/zinc/95/60/46/1012956046.db2.gz VPRAUQGYGAMJEP-UHFFFAOYSA-N 1 2 406.530 3.797 20 30 HHEDLO N#Cc1cccc(Oc2ccc(NC(=O)C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cn2)c1 ZINC000615072856 1072085024 /nfs/dbraw/zinc/08/50/24/1072085024.db2.gz ZLHRWTHBYCTUJX-UHFFFAOYSA-N 1 2 424.420 3.508 20 30 HHEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488212660 1072139482 /nfs/dbraw/zinc/13/94/82/1072139482.db2.gz CIOBDKCQVQVFEU-JVPBZIDWSA-N 1 2 409.933 3.592 20 30 HHEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000488212660 1072139487 /nfs/dbraw/zinc/13/94/87/1072139487.db2.gz CIOBDKCQVQVFEU-JVPBZIDWSA-N 1 2 409.933 3.592 20 30 HHEDLO C=CCc1cc(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)cc(OC)c1OC ZINC001625994394 1072478710 /nfs/dbraw/zinc/47/87/10/1072478710.db2.gz YZDAMPVJEBJFQP-UHFFFAOYSA-N 1 2 403.482 3.923 20 30 HHEDLO C=C(C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000555253953 1073282855 /nfs/dbraw/zinc/28/28/55/1073282855.db2.gz WTDNEZKQYCMQGQ-UHFFFAOYSA-N 1 2 400.486 3.989 20 30 HHEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000590104783 1073553919 /nfs/dbraw/zinc/55/39/19/1073553919.db2.gz WIYRTOJGPVSKAO-NRFANRHFSA-N 1 2 419.529 3.631 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1C#N ZINC000590601889 1073935033 /nfs/dbraw/zinc/93/50/33/1073935033.db2.gz SKZLTAVYCHQWGA-LJQANCHMSA-N 1 2 417.513 3.831 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1C#N ZINC000590601889 1073935044 /nfs/dbraw/zinc/93/50/44/1073935044.db2.gz SKZLTAVYCHQWGA-LJQANCHMSA-N 1 2 417.513 3.831 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C#N)cc1F)CC2 ZINC001164660640 719352413 /nfs/dbraw/zinc/35/24/13/719352413.db2.gz WICOIQQEMYECIO-UHFFFAOYSA-N 1 2 416.504 3.787 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C#N)cc1F)CC2 ZINC001164660640 719352415 /nfs/dbraw/zinc/35/24/15/719352415.db2.gz WICOIQQEMYECIO-UHFFFAOYSA-N 1 2 416.504 3.787 20 30 HHEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001165009171 721712748 /nfs/dbraw/zinc/71/27/48/721712748.db2.gz QXFCYLIDZOHCDR-UHFFFAOYSA-N 1 2 409.925 3.602 20 30 HHEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3c(Cl)c1C#N)C2 ZINC001165009171 721712755 /nfs/dbraw/zinc/71/27/55/721712755.db2.gz QXFCYLIDZOHCDR-UHFFFAOYSA-N 1 2 409.925 3.602 20 30 HHEDLO Cc1ccc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)nc1C#N ZINC000302617056 971264919 /nfs/dbraw/zinc/26/49/19/971264919.db2.gz GDKKUWWCSFYMOB-UHFFFAOYSA-N 1 2 402.477 3.735 20 30 HHEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000303322606 971628942 /nfs/dbraw/zinc/62/89/42/971628942.db2.gz BECQZGUMZKWDQE-LJQANCHMSA-N 1 2 405.395 3.863 20 30 HHEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000303322606 971628946 /nfs/dbraw/zinc/62/89/46/971628946.db2.gz BECQZGUMZKWDQE-LJQANCHMSA-N 1 2 405.395 3.863 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCCOc3ccc(C#N)cc3)c2)n1 ZINC000303434854 971718930 /nfs/dbraw/zinc/71/89/30/971718930.db2.gz DFRLMHOMDBRXIB-UHFFFAOYSA-N 1 2 403.486 3.526 20 30 HHEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)cc1Cl ZINC000537690692 1013253748 /nfs/dbraw/zinc/25/37/48/1013253748.db2.gz GYGQHDFYXOYBPQ-UHFFFAOYSA-N 1 2 404.894 3.993 20 30 HHEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)cc1Cl ZINC000537690692 1013253755 /nfs/dbraw/zinc/25/37/55/1013253755.db2.gz GYGQHDFYXOYBPQ-UHFFFAOYSA-N 1 2 404.894 3.993 20 30 HHEDLO COc1ccc(C2(CNC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)CCC2)cc1 ZINC000542304281 1013262396 /nfs/dbraw/zinc/26/23/96/1013262396.db2.gz ISPOYDAMVCTSTE-UHFFFAOYSA-N 1 2 418.541 3.516 20 30 HHEDLO COc1cc(C[N@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000015036218 962636457 /nfs/dbraw/zinc/63/64/57/962636457.db2.gz YYWRGHGQHXRQJF-UHFFFAOYSA-N 1 2 401.413 3.771 20 30 HHEDLO COc1cc(C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000015036218 962636466 /nfs/dbraw/zinc/63/64/66/962636466.db2.gz YYWRGHGQHXRQJF-UHFFFAOYSA-N 1 2 401.413 3.771 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(I)cc1)Cc1cccs1 ZINC000019540427 963368368 /nfs/dbraw/zinc/36/83/68/963368368.db2.gz ICCNWQDNJXRQLR-UHFFFAOYSA-N 1 2 412.296 3.979 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1ccc(I)cc1)Cc1cccs1 ZINC000019540427 963368375 /nfs/dbraw/zinc/36/83/75/963368375.db2.gz ICCNWQDNJXRQLR-UHFFFAOYSA-N 1 2 412.296 3.979 20 30 HHEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000021670903 963517600 /nfs/dbraw/zinc/51/76/00/963517600.db2.gz PWOJGNGFWHWBPA-SFHVURJKSA-N 1 2 414.550 3.695 20 30 HHEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000021670903 963517608 /nfs/dbraw/zinc/51/76/08/963517608.db2.gz PWOJGNGFWHWBPA-SFHVURJKSA-N 1 2 414.550 3.695 20 30 HHEDLO N#Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000024618873 964032695 /nfs/dbraw/zinc/03/26/95/964032695.db2.gz AOVCWBZLOYCSHQ-UHFFFAOYSA-N 1 2 401.432 3.854 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801410 964988678 /nfs/dbraw/zinc/98/86/78/964988678.db2.gz DCDHZNBMNANBIC-INIZCTEOSA-N 1 2 419.554 3.519 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801410 964988685 /nfs/dbraw/zinc/98/86/85/964988685.db2.gz DCDHZNBMNANBIC-INIZCTEOSA-N 1 2 419.554 3.519 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000052876768 965010400 /nfs/dbraw/zinc/01/04/00/965010400.db2.gz KSDRCBFGONCAIW-QWDXWUACSA-N 1 2 402.542 3.653 20 30 HHEDLO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cn(-c2ccccc2)nn1 ZINC000542623243 1013559385 /nfs/dbraw/zinc/55/93/85/1013559385.db2.gz RQPINXGNUPORDR-OAHLLOKOSA-N 1 2 420.542 3.759 20 30 HHEDLO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cn(-c2ccccc2)nn1 ZINC000542623242 1013559702 /nfs/dbraw/zinc/55/97/02/1013559702.db2.gz RQPINXGNUPORDR-HNNXBMFYSA-N 1 2 420.542 3.759 20 30 HHEDLO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@H](c2ccccc2)C1 ZINC000054148799 965398431 /nfs/dbraw/zinc/39/84/31/965398431.db2.gz FBDIMECJFHSLTK-NRFANRHFSA-N 1 2 401.466 3.859 20 30 HHEDLO C[N@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)[C@H](c2ccccc2)C1 ZINC000054148799 965398442 /nfs/dbraw/zinc/39/84/42/965398442.db2.gz FBDIMECJFHSLTK-NRFANRHFSA-N 1 2 401.466 3.859 20 30 HHEDLO C[C@@H](NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454800 965524853 /nfs/dbraw/zinc/52/48/53/965524853.db2.gz ZXGSTPWXGHKZCL-GOSISDBHSA-N 1 2 410.949 3.597 20 30 HHEDLO C[C@@H](NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054454800 965524859 /nfs/dbraw/zinc/52/48/59/965524859.db2.gz ZXGSTPWXGHKZCL-GOSISDBHSA-N 1 2 410.949 3.597 20 30 HHEDLO N#CCCN(C(=O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000055122204 965763108 /nfs/dbraw/zinc/76/31/08/965763108.db2.gz BIWFCINHMGVHMA-UHFFFAOYSA-N 1 2 410.949 3.795 20 30 HHEDLO N#CCCN(C(=O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000055122204 965763112 /nfs/dbraw/zinc/76/31/12/965763112.db2.gz BIWFCINHMGVHMA-UHFFFAOYSA-N 1 2 410.949 3.795 20 30 HHEDLO N#Cc1ccccc1COc1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000055254221 965797371 /nfs/dbraw/zinc/79/73/71/965797371.db2.gz BIEHIJBKPJVQHP-UHFFFAOYSA-N 1 2 412.493 3.931 20 30 HHEDLO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000061226813 966401464 /nfs/dbraw/zinc/40/14/64/966401464.db2.gz LECRUJKQOKXOOZ-RUZDIDTESA-N 1 2 413.496 3.983 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000061226813 966401471 /nfs/dbraw/zinc/40/14/71/966401471.db2.gz LECRUJKQOKXOOZ-RUZDIDTESA-N 1 2 413.496 3.983 20 30 HHEDLO Cc1cc(C)c(C#N)c(SCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)n1 ZINC000042061322 966699574 /nfs/dbraw/zinc/69/95/74/966699574.db2.gz SARILXDXCUIXAH-UHFFFAOYSA-N 1 2 415.588 3.989 20 30 HHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000065950735 968734615 /nfs/dbraw/zinc/73/46/15/968734615.db2.gz XMTAFYVPUYYNFO-UHFFFAOYSA-N 1 2 417.488 3.776 20 30 HHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000097571210 969164708 /nfs/dbraw/zinc/16/47/08/969164708.db2.gz BSEHDGAVMWRBKO-QGZVFWFLSA-N 1 2 414.465 3.801 20 30 HHEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000097571450 969165364 /nfs/dbraw/zinc/16/53/64/969165364.db2.gz FYJDCETXANWDHS-GOSISDBHSA-N 1 2 418.497 3.942 20 30 HHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc3ccc(C)cc3F)c2)n1 ZINC000097571576 969166102 /nfs/dbraw/zinc/16/61/02/969166102.db2.gz PYQJWVMJVJMZDK-KRWDZBQOSA-N 1 2 423.492 3.660 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110477829 969675632 /nfs/dbraw/zinc/67/56/32/969675632.db2.gz ZAMHHCMPNQXEDH-HNNXBMFYSA-N 1 2 411.462 3.627 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000110477829 969675639 /nfs/dbraw/zinc/67/56/39/969675639.db2.gz ZAMHHCMPNQXEDH-HNNXBMFYSA-N 1 2 411.462 3.627 20 30 HHEDLO NC(Cc1ccccc1Cl)=[NH+]OCc1nnc(-c2ccc(Br)o2)o1 ZINC000195737146 969991751 /nfs/dbraw/zinc/99/17/51/969991751.db2.gz BDTZARUPURMUHR-UHFFFAOYSA-N 1 2 411.643 3.777 20 30 HHEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC000554621641 1013991493 /nfs/dbraw/zinc/99/14/93/1013991493.db2.gz UZADCUZMXRQAHZ-OAHLLOKOSA-N 1 2 404.356 3.672 20 30 HHEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)n2)c1 ZINC000409865479 973333712 /nfs/dbraw/zinc/33/37/12/973333712.db2.gz FPGLMMFBICGWLB-UHFFFAOYSA-N 1 2 406.449 3.911 20 30 HHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCC(CO)CC3)sc2C1 ZINC000426398656 974432297 /nfs/dbraw/zinc/43/22/97/974432297.db2.gz XPNURMSCOHMGTK-INIZCTEOSA-N 1 2 403.592 3.804 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)nc1 ZINC000428790008 976064727 /nfs/dbraw/zinc/06/47/27/976064727.db2.gz ADUGRMBQKNUUDO-AWEZNQCLSA-N 1 2 416.268 3.963 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)nc1 ZINC000428790008 976064740 /nfs/dbraw/zinc/06/47/40/976064740.db2.gz ADUGRMBQKNUUDO-AWEZNQCLSA-N 1 2 416.268 3.963 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc(-c4c(Cl)cccc4Cl)o3)C2)nc1 ZINC000428818997 976097873 /nfs/dbraw/zinc/09/78/73/976097873.db2.gz OOCFLZDTZLJNFG-ZDUSSCGKSA-N 1 2 416.268 3.963 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc(-c4c(Cl)cccc4Cl)o3)C2)nc1 ZINC000428818997 976097885 /nfs/dbraw/zinc/09/78/85/976097885.db2.gz OOCFLZDTZLJNFG-ZDUSSCGKSA-N 1 2 416.268 3.963 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(SCC#N)c1 ZINC000429800560 977076573 /nfs/dbraw/zinc/07/65/73/977076573.db2.gz JBWVQWPQWKMLQU-IBGZPJMESA-N 1 2 409.555 3.665 20 30 HHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429830575 977099651 /nfs/dbraw/zinc/09/96/51/977099651.db2.gz WWYZNUDILSHARN-UHFFFAOYSA-N 1 2 405.523 3.844 20 30 HHEDLO CCCN(C(=O)c1cccs1)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000432042297 978658614 /nfs/dbraw/zinc/65/86/14/978658614.db2.gz WHXXZDBJMOIXHY-UHFFFAOYSA-N 1 2 410.543 3.575 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)N2CCC[C@H]([N@H+](C)Cc3noc(C)n3)CC2)c1 ZINC000432064575 978666122 /nfs/dbraw/zinc/66/61/22/978666122.db2.gz DWVPLGFKQLOKHB-IBGZPJMESA-N 1 2 413.522 3.851 20 30 HHEDLO C=C(C)COc1cccc(NC(=O)N2CCC[C@H]([N@@H+](C)Cc3noc(C)n3)CC2)c1 ZINC000432064575 978666124 /nfs/dbraw/zinc/66/61/24/978666124.db2.gz DWVPLGFKQLOKHB-IBGZPJMESA-N 1 2 413.522 3.851 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432963646 979026172 /nfs/dbraw/zinc/02/61/72/979026172.db2.gz YHIJDLAYCFQHAU-LJQANCHMSA-N 1 2 417.513 3.648 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432963646 979026176 /nfs/dbraw/zinc/02/61/76/979026176.db2.gz YHIJDLAYCFQHAU-LJQANCHMSA-N 1 2 417.513 3.648 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433355542 979254446 /nfs/dbraw/zinc/25/44/46/979254446.db2.gz WPZBFOUDUSGATL-URXFXBBRSA-N 1 2 405.542 3.508 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434001495 979749016 /nfs/dbraw/zinc/74/90/16/979749016.db2.gz IXFQYWBTCYDIFC-UHFFFAOYSA-N 1 2 423.586 3.913 20 30 HHEDLO N#Cc1ccccc1OC1CCC(Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000434098196 979847742 /nfs/dbraw/zinc/84/77/42/979847742.db2.gz PNWPYFDSAOFMFB-GPJFCIFZSA-N 1 2 407.518 3.502 20 30 HHEDLO N#Cc1ccccc1OC1CCC(Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000434098196 979847754 /nfs/dbraw/zinc/84/77/54/979847754.db2.gz PNWPYFDSAOFMFB-GPJFCIFZSA-N 1 2 407.518 3.502 20 30 HHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nccn3C(F)F)sc2C1 ZINC000434680717 980335835 /nfs/dbraw/zinc/33/58/35/980335835.db2.gz KFVYCZNQGCLSCK-LBPRGKRZSA-N 1 2 407.490 3.797 20 30 HHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)Cc3nccn3C(F)F)sc2C1 ZINC000434680717 980335847 /nfs/dbraw/zinc/33/58/47/980335847.db2.gz KFVYCZNQGCLSCK-LBPRGKRZSA-N 1 2 407.490 3.797 20 30 HHEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000448519080 981845184 /nfs/dbraw/zinc/84/51/84/981845184.db2.gz HZBRLARSZZEUBW-UHFFFAOYSA-N 1 2 418.419 3.806 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000460376250 982153846 /nfs/dbraw/zinc/15/38/46/982153846.db2.gz OGHCAVYYYFALJW-UHFFFAOYSA-N 1 2 410.319 3.909 20 30 HHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000460376250 982153847 /nfs/dbraw/zinc/15/38/47/982153847.db2.gz OGHCAVYYYFALJW-UHFFFAOYSA-N 1 2 410.319 3.909 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000438046074 982548369 /nfs/dbraw/zinc/54/83/69/982548369.db2.gz BKLXVCZMJCUWQD-ZWKOTPCHSA-N 1 2 402.564 3.799 20 30 HHEDLO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000438671313 982990019 /nfs/dbraw/zinc/99/00/19/982990019.db2.gz YKBSTARLVJYDHJ-HZPDHXFCSA-N 1 2 412.465 3.720 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000440988581 984013597 /nfs/dbraw/zinc/01/35/97/984013597.db2.gz MNXGZCIPVKZMJC-IOUITXQFSA-N 1 2 408.468 3.868 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000440988581 984013604 /nfs/dbraw/zinc/01/36/04/984013604.db2.gz MNXGZCIPVKZMJC-IOUITXQFSA-N 1 2 408.468 3.868 20 30 HHEDLO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)Cc2ccccc21 ZINC000441116695 984076067 /nfs/dbraw/zinc/07/60/67/984076067.db2.gz PWUHCLCPMJDPCQ-VGSWGCGISA-N 1 2 423.488 3.623 20 30 HHEDLO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)Cc2ccccc21 ZINC000441116695 984076074 /nfs/dbraw/zinc/07/60/74/984076074.db2.gz PWUHCLCPMJDPCQ-VGSWGCGISA-N 1 2 423.488 3.623 20 30 HHEDLO COc1cccc(OC)c1OC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441200639 984112582 /nfs/dbraw/zinc/11/25/82/984112582.db2.gz LMSILTQMPUNMBS-UHFFFAOYSA-N 1 2 420.469 3.669 20 30 HHEDLO COc1ccc(C(=O)C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000441240890 984133155 /nfs/dbraw/zinc/13/31/55/984133155.db2.gz BZRWQOLJNTXIAU-UHFFFAOYSA-N 1 2 402.454 3.712 20 30 HHEDLO C=CC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441319902 984180601 /nfs/dbraw/zinc/18/06/01/984180601.db2.gz WWEUYRARBALFBE-KRWDZBQOSA-N 1 2 403.465 3.736 20 30 HHEDLO C=CC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441319902 984180606 /nfs/dbraw/zinc/18/06/06/984180606.db2.gz WWEUYRARBALFBE-KRWDZBQOSA-N 1 2 403.465 3.736 20 30 HHEDLO COc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccccc2OC)cc1 ZINC000443463583 985637403 /nfs/dbraw/zinc/63/74/03/985637403.db2.gz SXRGZDNVMJEYSY-HSZRJFAPSA-N 1 2 407.514 3.725 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(Br)cn1C ZINC000468068262 985726964 /nfs/dbraw/zinc/72/69/64/985726964.db2.gz JNBHZYNQEHVXTM-OAHLLOKOSA-N 1 2 403.324 3.555 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468068262 985726977 /nfs/dbraw/zinc/72/69/77/985726977.db2.gz JNBHZYNQEHVXTM-OAHLLOKOSA-N 1 2 403.324 3.555 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1OCC ZINC000462869195 985794056 /nfs/dbraw/zinc/79/40/56/985794056.db2.gz FBGUNXQWVOIWMY-AWEZNQCLSA-N 1 2 420.294 3.862 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1OCC ZINC000462869195 985794063 /nfs/dbraw/zinc/79/40/63/985794063.db2.gz FBGUNXQWVOIWMY-AWEZNQCLSA-N 1 2 420.294 3.862 20 30 HHEDLO C=CCNC(=O)C[N@H+](Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000443663170 985866279 /nfs/dbraw/zinc/86/62/79/985866279.db2.gz WWMSKDDXIOSKGA-LJQANCHMSA-N 1 2 417.509 3.553 20 30 HHEDLO C=CCNC(=O)C[N@@H+](Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000443663170 985866290 /nfs/dbraw/zinc/86/62/90/985866290.db2.gz WWMSKDDXIOSKGA-LJQANCHMSA-N 1 2 417.509 3.553 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463431819 986405704 /nfs/dbraw/zinc/40/57/04/986405704.db2.gz CQAIVCQALUSZSG-XDHUDOTRSA-N 1 2 423.582 3.852 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463431819 986405709 /nfs/dbraw/zinc/40/57/09/986405709.db2.gz CQAIVCQALUSZSG-XDHUDOTRSA-N 1 2 423.582 3.852 20 30 HHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444334865 986512366 /nfs/dbraw/zinc/51/23/66/986512366.db2.gz DMJJUBIXLCIRKG-UHFFFAOYSA-N 1 2 403.486 3.737 20 30 HHEDLO CC[C@H](C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469031379 986741449 /nfs/dbraw/zinc/74/14/49/986741449.db2.gz QWQDZFWLRHNYTE-LSDHHAIUSA-N 1 2 424.467 3.695 20 30 HHEDLO CC[C@H](C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469031379 986741458 /nfs/dbraw/zinc/74/14/58/986741458.db2.gz QWQDZFWLRHNYTE-LSDHHAIUSA-N 1 2 424.467 3.695 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccccc2F)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000444625400 986810916 /nfs/dbraw/zinc/81/09/16/986810916.db2.gz IIBNVRPAGIXKIS-HNNXBMFYSA-N 1 2 405.437 3.601 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2F)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000444625400 986810925 /nfs/dbraw/zinc/81/09/25/986810925.db2.gz IIBNVRPAGIXKIS-HNNXBMFYSA-N 1 2 405.437 3.601 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccccc2F)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000444625401 986811471 /nfs/dbraw/zinc/81/14/71/986811471.db2.gz IIBNVRPAGIXKIS-OAHLLOKOSA-N 1 2 405.437 3.601 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccccc2F)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000444625401 986811481 /nfs/dbraw/zinc/81/14/81/986811481.db2.gz IIBNVRPAGIXKIS-OAHLLOKOSA-N 1 2 405.437 3.601 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000469112483 986828330 /nfs/dbraw/zinc/82/83/30/986828330.db2.gz XYNNDZQWRQPPCP-NRFANRHFSA-N 1 2 408.546 3.710 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000469112483 986828335 /nfs/dbraw/zinc/82/83/35/986828335.db2.gz XYNNDZQWRQPPCP-NRFANRHFSA-N 1 2 408.546 3.710 20 30 HHEDLO C=CC[C@@H]1N(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCC1(C)C ZINC000444876346 987029555 /nfs/dbraw/zinc/02/95/55/987029555.db2.gz AYMHOLYMWJGZCR-NRFANRHFSA-N 1 2 412.578 3.866 20 30 HHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000469506958 987184253 /nfs/dbraw/zinc/18/42/53/987184253.db2.gz PYINZQFUIOVLPH-RXVVDRJESA-N 1 2 407.518 3.812 20 30 HHEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Br ZINC000469662417 987319435 /nfs/dbraw/zinc/31/94/35/987319435.db2.gz MPZVYQRZRAPNLT-UHFFFAOYSA-N 1 2 413.319 3.979 20 30 HHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000470003014 987616453 /nfs/dbraw/zinc/61/64/53/987616453.db2.gz NCXOQAKVDDJPDT-UHFFFAOYSA-N 1 2 400.482 3.942 20 30 HHEDLO N#Cc1ccc(OCc2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)o2)cc1 ZINC000445815689 987877820 /nfs/dbraw/zinc/87/78/20/987877820.db2.gz NRFITVCGTXBFGP-OXQOHEQNSA-N 1 2 406.442 3.706 20 30 HHEDLO N#Cc1ccc(OCc2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)o2)cc1 ZINC000445815689 987877821 /nfs/dbraw/zinc/87/78/21/987877821.db2.gz NRFITVCGTXBFGP-OXQOHEQNSA-N 1 2 406.442 3.706 20 30 HHEDLO COCC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1ccc(C#N)cc1 ZINC000470223804 988154060 /nfs/dbraw/zinc/15/40/60/988154060.db2.gz OXQDPELCXAXLOQ-UHFFFAOYSA-N 1 2 424.932 3.915 20 30 HHEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)Cc1ccc(C#N)cc1 ZINC000470223804 988154067 /nfs/dbraw/zinc/15/40/67/988154067.db2.gz OXQDPELCXAXLOQ-UHFFFAOYSA-N 1 2 424.932 3.915 20 30 HHEDLO Cc1oc2ccccc2c1CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000464130243 988249107 /nfs/dbraw/zinc/24/91/07/988249107.db2.gz INOJFIJTJSKHRL-UHFFFAOYSA-N 1 2 402.498 3.683 20 30 HHEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000471674282 989878799 /nfs/dbraw/zinc/87/87/99/989878799.db2.gz QMFMYJIXPYJPSL-UHFFFAOYSA-N 1 2 408.502 3.722 20 30 HHEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1ccc(Cl)cc1 ZINC000466374622 991653059 /nfs/dbraw/zinc/65/30/59/991653059.db2.gz UPARTFMYHJXFDI-KRWDZBQOSA-N 1 2 412.921 3.506 20 30 HHEDLO COC(=O)c1ccc(C(C)C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000466659836 991974538 /nfs/dbraw/zinc/97/45/38/991974538.db2.gz ZLJBKKIQQFPSLN-UHFFFAOYSA-N 1 2 420.513 3.818 20 30 HHEDLO C=CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000466957479 992266913 /nfs/dbraw/zinc/26/69/13/992266913.db2.gz HVQRBUMBRSWBMF-MRXNPFEDSA-N 1 2 420.908 3.646 20 30 HHEDLO C=CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000466957479 992266920 /nfs/dbraw/zinc/26/69/20/992266920.db2.gz HVQRBUMBRSWBMF-MRXNPFEDSA-N 1 2 420.908 3.646 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472520273 993512030 /nfs/dbraw/zinc/51/20/30/993512030.db2.gz OPJGRKLVAJRGTI-GGAORHGYSA-N 1 2 406.505 3.861 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(CCOCc4ccccc4)CC3)CC2)cc1 ZINC000473493123 994337209 /nfs/dbraw/zinc/33/72/09/994337209.db2.gz CUDUGJILCJAYDC-UHFFFAOYSA-N 1 2 403.526 3.590 20 30 HHEDLO N#Cc1cccc(COc2ccc(NC(=O)NCCNc3cccc[nH+]3)cc2F)c1 ZINC000481681272 994541386 /nfs/dbraw/zinc/54/13/86/994541386.db2.gz DAIWNZCXGJJNLE-UHFFFAOYSA-N 1 2 405.433 3.905 20 30 HHEDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)c2c1 ZINC000481750750 994603711 /nfs/dbraw/zinc/60/37/11/994603711.db2.gz PLZDNKZPFROHII-UHFFFAOYSA-N 1 2 417.465 3.552 20 30 HHEDLO C=C(C)[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000482640236 995635011 /nfs/dbraw/zinc/63/50/11/995635011.db2.gz GSQKCNTVAOKFQQ-DENIHFKCSA-N 1 2 415.484 3.782 20 30 HHEDLO C=C(C)[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)c(F)c1 ZINC000482640236 995635016 /nfs/dbraw/zinc/63/50/16/995635016.db2.gz GSQKCNTVAOKFQQ-DENIHFKCSA-N 1 2 415.484 3.782 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2cnccc2C)c1C#N ZINC000483014638 995920180 /nfs/dbraw/zinc/92/01/80/995920180.db2.gz MLJBOXIHIWDVNT-UHFFFAOYSA-N 1 2 405.477 3.879 20 30 HHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2cnccc2C)c1C#N ZINC000483014638 995920184 /nfs/dbraw/zinc/92/01/84/995920184.db2.gz MLJBOXIHIWDVNT-UHFFFAOYSA-N 1 2 405.477 3.879 20 30 HHEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](CO)c3c(Cl)cccc3Cl)C2=O)cc1 ZINC000483229564 996049523 /nfs/dbraw/zinc/04/95/23/996049523.db2.gz BONMRSYVXOMVRH-ZWKOTPCHSA-N 1 2 404.297 3.684 20 30 HHEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](CO)c3c(Cl)cccc3Cl)C2=O)cc1 ZINC000483229561 996049612 /nfs/dbraw/zinc/04/96/12/996049612.db2.gz BONMRSYVXOMVRH-MSOLQXFVSA-N 1 2 404.297 3.684 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000483247128 996059114 /nfs/dbraw/zinc/05/91/14/996059114.db2.gz WBFGUCKPEBFGCH-LJQANCHMSA-N 1 2 414.509 3.966 20 30 HHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000483276648 996075748 /nfs/dbraw/zinc/07/57/48/996075748.db2.gz ADVWWBDUXITBSH-QGZVFWFLSA-N 1 2 401.470 3.574 20 30 HHEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000475404093 996117995 /nfs/dbraw/zinc/11/79/95/996117995.db2.gz YCAMVSZRVKHNTB-BEFAXECRSA-N 1 2 414.550 3.551 20 30 HHEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000475404093 996117997 /nfs/dbraw/zinc/11/79/97/996117997.db2.gz YCAMVSZRVKHNTB-BEFAXECRSA-N 1 2 414.550 3.551 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475608139 996244900 /nfs/dbraw/zinc/24/49/00/996244900.db2.gz MXUHMSJYXLBADF-FQEVSTJZSA-N 1 2 405.542 3.851 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000476543225 997035705 /nfs/dbraw/zinc/03/57/05/997035705.db2.gz UVBCIXSWUUHOQB-UNWVZKJWSA-N 1 2 411.933 3.915 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000476543225 997035718 /nfs/dbraw/zinc/03/57/18/997035718.db2.gz UVBCIXSWUUHOQB-UNWVZKJWSA-N 1 2 411.933 3.915 20 30 HHEDLO C=C(C)[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000476741599 997293190 /nfs/dbraw/zinc/29/31/90/997293190.db2.gz FVTKSFYYZFSKFN-JOCHJYFZSA-N 1 2 415.484 3.914 20 30 HHEDLO N#Cc1ccc(C[N@H+](CCO)Cc2ccc(Br)s2)c(OC(F)F)c1 ZINC000485101426 997479438 /nfs/dbraw/zinc/47/94/38/997479438.db2.gz VZRMRMAFNDVZOI-UHFFFAOYSA-N 1 2 417.275 3.978 20 30 HHEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)c(OC(F)F)c1 ZINC000485101426 997479445 /nfs/dbraw/zinc/47/94/45/997479445.db2.gz VZRMRMAFNDVZOI-UHFFFAOYSA-N 1 2 417.275 3.978 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3ccc(F)cc3)C(F)(F)F)CC2)cc1 ZINC000485212014 997586515 /nfs/dbraw/zinc/58/65/15/997586515.db2.gz FYMZLQGOVIKCLX-LJQANCHMSA-N 1 2 420.410 3.828 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000477014361 997647321 /nfs/dbraw/zinc/64/73/21/997647321.db2.gz RQHFGFAFKADPRV-LJQANCHMSA-N 1 2 403.404 3.979 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000477014361 997647325 /nfs/dbraw/zinc/64/73/25/997647325.db2.gz RQHFGFAFKADPRV-LJQANCHMSA-N 1 2 403.404 3.979 20 30 HHEDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(-c2cccc(F)c2)no1 ZINC000485326209 997739305 /nfs/dbraw/zinc/73/93/05/997739305.db2.gz ZQACUPAJTQTLNB-AUUYWEPGSA-N 1 2 405.433 3.594 20 30 HHEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000477219366 997891411 /nfs/dbraw/zinc/89/14/11/997891411.db2.gz UKABTFJNDHMBMC-UHFFFAOYSA-N 1 2 401.869 3.578 20 30 HHEDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000485975295 998417262 /nfs/dbraw/zinc/41/72/62/998417262.db2.gz IMUOGJKOBIPWGI-LBPRGKRZSA-N 1 2 419.576 3.766 20 30 HHEDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000485975295 998417267 /nfs/dbraw/zinc/41/72/67/998417267.db2.gz IMUOGJKOBIPWGI-LBPRGKRZSA-N 1 2 419.576 3.766 20 30 HHEDLO Cc1cc(Br)cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000486315260 998708501 /nfs/dbraw/zinc/70/85/01/998708501.db2.gz BQQZLRJYXBUDJB-UHFFFAOYSA-N 1 2 413.319 3.979 20 30 HHEDLO CC[N@@H+](CCC#N)CCOc1cc(Br)c(OC)cc1Br ZINC000478008461 998710831 /nfs/dbraw/zinc/71/08/31/998710831.db2.gz FEHXFCKEHRSODG-UHFFFAOYSA-N 1 2 406.118 3.835 20 30 HHEDLO CC[N@H+](CCC#N)CCOc1cc(Br)c(OC)cc1Br ZINC000478008461 998710832 /nfs/dbraw/zinc/71/08/32/998710832.db2.gz FEHXFCKEHRSODG-UHFFFAOYSA-N 1 2 406.118 3.835 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000486441380 998770172 /nfs/dbraw/zinc/77/01/72/998770172.db2.gz ZXZJEDMGOPIMFD-FQEVSTJZSA-N 1 2 416.447 3.732 20 30 HHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000486500840 998796188 /nfs/dbraw/zinc/79/61/88/998796188.db2.gz GDJVNSBTPQJYDQ-UUOWRZLLSA-N 1 2 419.573 3.700 20 30 HHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000486500840 998796190 /nfs/dbraw/zinc/79/61/90/998796190.db2.gz GDJVNSBTPQJYDQ-UUOWRZLLSA-N 1 2 419.573 3.700 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000478433304 998955378 /nfs/dbraw/zinc/95/53/78/998955378.db2.gz WEDDSLCVGUDIOJ-XMMPIXPASA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 ZINC000478433304 998955382 /nfs/dbraw/zinc/95/53/82/998955382.db2.gz WEDDSLCVGUDIOJ-XMMPIXPASA-N 1 2 402.519 3.980 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)Cc1cccc(C#N)c1 ZINC000487357351 999146146 /nfs/dbraw/zinc/14/61/46/999146146.db2.gz AZKVFUMWHDWMBS-UHFFFAOYSA-N 1 2 400.486 3.587 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)Cc1cccc(C#N)c1 ZINC000487357351 999146149 /nfs/dbraw/zinc/14/61/49/999146149.db2.gz AZKVFUMWHDWMBS-UHFFFAOYSA-N 1 2 400.486 3.587 20 30 HHEDLO N#CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)c1ccccc1 ZINC000487432281 999175021 /nfs/dbraw/zinc/17/50/21/999175021.db2.gz VKMRKZHBQIVAMG-FCHUYYIVSA-N 1 2 421.545 3.569 20 30 HHEDLO N#CCCC[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)c1ccccc1 ZINC000487432281 999175026 /nfs/dbraw/zinc/17/50/26/999175026.db2.gz VKMRKZHBQIVAMG-FCHUYYIVSA-N 1 2 421.545 3.569 20 30 HHEDLO N#CCCC[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)c1ccccc1 ZINC000487432295 999175055 /nfs/dbraw/zinc/17/50/55/999175055.db2.gz VKMRKZHBQIVAMG-YADHBBJMSA-N 1 2 421.545 3.569 20 30 HHEDLO N#CCCC[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)c1ccccc1 ZINC000487432295 999175059 /nfs/dbraw/zinc/17/50/59/999175059.db2.gz VKMRKZHBQIVAMG-YADHBBJMSA-N 1 2 421.545 3.569 20 30 HHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000488028436 999352828 /nfs/dbraw/zinc/35/28/28/999352828.db2.gz BEHNVIWKPGMVPU-UHFFFAOYSA-N 1 2 412.415 3.855 20 30 HHEDLO N#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(OCc2ccccc2)cc1 ZINC000489067078 999688190 /nfs/dbraw/zinc/68/81/90/999688190.db2.gz MGNDVBOSYXSVKJ-HSZRJFAPSA-N 1 2 409.449 3.841 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)no1 ZINC000480210958 999746280 /nfs/dbraw/zinc/74/62/80/999746280.db2.gz AKDSTCLRIWXKLG-GOSISDBHSA-N 1 2 408.481 3.736 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)no1 ZINC000480210958 999746284 /nfs/dbraw/zinc/74/62/84/999746284.db2.gz AKDSTCLRIWXKLG-GOSISDBHSA-N 1 2 408.481 3.736 20 30 HHEDLO COc1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3C#N)CC2)cc(OC)c1OC ZINC000480575812 999830648 /nfs/dbraw/zinc/83/06/48/999830648.db2.gz CZRMBDQAEOTQGX-UHFFFAOYSA-N 1 2 415.921 3.555 20 30 HHEDLO CSCC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2ccccn21 ZINC000491831765 1000096411 /nfs/dbraw/zinc/09/64/11/1000096411.db2.gz LAADPVIQYCCEIH-INIZCTEOSA-N 1 2 416.348 3.947 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000504718457 1000340095 /nfs/dbraw/zinc/34/00/95/1000340095.db2.gz ZQZQQMSZXFVXRK-SFHVURJKSA-N 1 2 423.517 3.528 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494194871 1000355831 /nfs/dbraw/zinc/35/58/31/1000355831.db2.gz KPCUIZYSBFOIIA-NRFANRHFSA-N 1 2 406.486 3.644 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494194871 1000355836 /nfs/dbraw/zinc/35/58/36/1000355836.db2.gz KPCUIZYSBFOIIA-NRFANRHFSA-N 1 2 406.486 3.644 20 30 HHEDLO C[N@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000494263542 1000398268 /nfs/dbraw/zinc/39/82/68/1000398268.db2.gz ZBEZNKHKFMSBCY-HNNXBMFYSA-N 1 2 408.296 3.759 20 30 HHEDLO C[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000494263542 1000398270 /nfs/dbraw/zinc/39/82/70/1000398270.db2.gz ZBEZNKHKFMSBCY-HNNXBMFYSA-N 1 2 408.296 3.759 20 30 HHEDLO C=C[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000494689073 1000605207 /nfs/dbraw/zinc/60/52/07/1000605207.db2.gz YZLOCWLQELHWCX-NRFANRHFSA-N 1 2 423.536 3.797 20 30 HHEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)cc2)nc1 ZINC000505453325 1000783509 /nfs/dbraw/zinc/78/35/09/1000783509.db2.gz LFEKDEXBDSJVMT-NRFANRHFSA-N 1 2 402.429 3.671 20 30 HHEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)o2)cc1 ZINC000505477047 1000801530 /nfs/dbraw/zinc/80/15/30/1000801530.db2.gz QOACCOXFMSYAPM-NRFANRHFSA-N 1 2 405.429 3.656 20 30 HHEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1OC ZINC000505499287 1000838574 /nfs/dbraw/zinc/83/85/74/1000838574.db2.gz BRFTTWQPQPYKNW-GOSISDBHSA-N 1 2 410.514 3.788 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000505593847 1000925832 /nfs/dbraw/zinc/92/58/32/1000925832.db2.gz OIFQUBTXIJIKJF-SFTDATJTSA-N 1 2 413.468 3.584 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000505593847 1000925836 /nfs/dbraw/zinc/92/58/36/1000925836.db2.gz OIFQUBTXIJIKJF-SFTDATJTSA-N 1 2 413.468 3.584 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000496186305 1001136325 /nfs/dbraw/zinc/13/63/25/1001136325.db2.gz IFIFWXPSFOQLHL-IBGZPJMESA-N 1 2 401.869 3.970 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000496186305 1001136330 /nfs/dbraw/zinc/13/63/30/1001136330.db2.gz IFIFWXPSFOQLHL-IBGZPJMESA-N 1 2 401.869 3.970 20 30 HHEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000506085562 1001211131 /nfs/dbraw/zinc/21/11/31/1001211131.db2.gz LBNWFECOHTZUQA-UHFFFAOYSA-N 1 2 404.363 3.630 20 30 HHEDLO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OCCCC#N ZINC000506344189 1001367317 /nfs/dbraw/zinc/36/73/17/1001367317.db2.gz ZLKQRFRDUDKMPA-KRWDZBQOSA-N 1 2 416.543 3.974 20 30 HHEDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OCCCC#N ZINC000506344189 1001367322 /nfs/dbraw/zinc/36/73/22/1001367322.db2.gz ZLKQRFRDUDKMPA-KRWDZBQOSA-N 1 2 416.543 3.974 20 30 HHEDLO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000497977325 1001587880 /nfs/dbraw/zinc/58/78/80/1001587880.db2.gz ZAJBXQCDGVBGBD-SJLPKXTDSA-N 1 2 406.502 3.973 20 30 HHEDLO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000497977325 1001587882 /nfs/dbraw/zinc/58/78/82/1001587882.db2.gz ZAJBXQCDGVBGBD-SJLPKXTDSA-N 1 2 406.502 3.973 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000507286667 1001970878 /nfs/dbraw/zinc/97/08/78/1001970878.db2.gz QOJOHTYWCGYXSM-UHFFFAOYSA-N 1 2 414.868 3.640 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Br)c3)CC2)cc1 ZINC000498585248 1001997419 /nfs/dbraw/zinc/99/74/19/1001997419.db2.gz WHEYGFKDIKTKOU-LEWJYISDSA-N 1 2 424.342 3.769 20 30 HHEDLO N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)c(F)c1 ZINC000507760684 1002329952 /nfs/dbraw/zinc/32/99/52/1002329952.db2.gz TXVZHDDPYWNYJS-UHFFFAOYSA-N 1 2 407.424 3.877 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)cc1 ZINC000508041046 1002562499 /nfs/dbraw/zinc/56/24/99/1002562499.db2.gz BNFUQOKCPAAGIV-UHFFFAOYSA-N 1 2 409.534 3.863 20 30 HHEDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000508596957 1003055463 /nfs/dbraw/zinc/05/54/63/1003055463.db2.gz AEPUPCBFSDULTI-UHFFFAOYSA-N 1 2 414.469 3.623 20 30 HHEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000508834312 1003256213 /nfs/dbraw/zinc/25/62/13/1003256213.db2.gz STFVRYJMLCIDFB-MRXNPFEDSA-N 1 2 410.472 3.688 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499942220 1003265736 /nfs/dbraw/zinc/26/57/36/1003265736.db2.gz XXJTUEOBUHXJPH-GUYCJALGSA-N 1 2 421.925 3.993 20 30 HHEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000508862087 1003281704 /nfs/dbraw/zinc/28/17/04/1003281704.db2.gz FRZQIDOQSBHBPE-UHFFFAOYSA-N 1 2 413.909 3.579 20 30 HHEDLO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508895073 1003325242 /nfs/dbraw/zinc/32/52/42/1003325242.db2.gz MYDYCCJIVLHLEM-UHFFFAOYSA-N 1 2 408.937 3.810 20 30 HHEDLO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508997174 1003468420 /nfs/dbraw/zinc/46/84/20/1003468420.db2.gz INMHQQVNXQWDJO-UHFFFAOYSA-N 1 2 408.937 3.810 20 30 HHEDLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC000500134320 1003494467 /nfs/dbraw/zinc/49/44/67/1003494467.db2.gz RZPVDJUMMNYHRV-UHFFFAOYSA-N 1 2 416.337 3.867 20 30 HHEDLO CCN(C(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1)c1ccccc1 ZINC000500591668 1003804777 /nfs/dbraw/zinc/80/47/77/1003804777.db2.gz MEVGHONTJJUWHT-IBGZPJMESA-N 1 2 413.525 3.670 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512262122 1004163596 /nfs/dbraw/zinc/16/35/96/1004163596.db2.gz RSSPAPMENUGXQE-KDOFPFPSSA-N 1 2 415.481 3.799 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512262122 1004163602 /nfs/dbraw/zinc/16/36/02/1004163602.db2.gz RSSPAPMENUGXQE-KDOFPFPSSA-N 1 2 415.481 3.799 20 30 HHEDLO C=C(CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccccc1 ZINC000510000283 1004257139 /nfs/dbraw/zinc/25/71/39/1004257139.db2.gz GHURBMXTQWWOFG-UHFFFAOYSA-N 1 2 400.482 3.655 20 30 HHEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000512433311 1004298650 /nfs/dbraw/zinc/29/86/50/1004298650.db2.gz KWYJAJRLARLPQB-IBGZPJMESA-N 1 2 415.291 3.740 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000512566376 1004389394 /nfs/dbraw/zinc/38/93/94/1004389394.db2.gz WUMHNTDCOBLWQR-JOCHJYFZSA-N 1 2 412.534 3.665 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000512566376 1004389404 /nfs/dbraw/zinc/38/94/04/1004389404.db2.gz WUMHNTDCOBLWQR-JOCHJYFZSA-N 1 2 412.534 3.665 20 30 HHEDLO CC(C)(C#N)CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000512905881 1004675205 /nfs/dbraw/zinc/67/52/05/1004675205.db2.gz ADJYHLJTDHDSOF-UHFFFAOYSA-N 1 2 400.523 3.931 20 30 HHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC000510754134 1004833649 /nfs/dbraw/zinc/83/36/49/1004833649.db2.gz TUSDLVRDLFZCLM-AVRDEDQJSA-N 1 2 421.545 3.860 20 30 HHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC000510754134 1004833655 /nfs/dbraw/zinc/83/36/55/1004833655.db2.gz TUSDLVRDLFZCLM-AVRDEDQJSA-N 1 2 421.545 3.860 20 30 HHEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513368385 1004928903 /nfs/dbraw/zinc/92/89/03/1004928903.db2.gz VQCPOLPRQJPLTK-QGZVFWFLSA-N 1 2 411.527 3.793 20 30 HHEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000513368385 1004928910 /nfs/dbraw/zinc/92/89/10/1004928910.db2.gz VQCPOLPRQJPLTK-QGZVFWFLSA-N 1 2 411.527 3.793 20 30 HHEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000513395899 1004942061 /nfs/dbraw/zinc/94/20/61/1004942061.db2.gz BHGUUZIPBWMFIS-UHFFFAOYSA-N 1 2 404.470 3.969 20 30 HHEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000513395899 1004942064 /nfs/dbraw/zinc/94/20/64/1004942064.db2.gz BHGUUZIPBWMFIS-UHFFFAOYSA-N 1 2 404.470 3.969 20 30 HHEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)Cc2cccc(F)c2)cc1 ZINC000513429038 1004962299 /nfs/dbraw/zinc/96/22/99/1004962299.db2.gz AXZGRBBDFXBKCB-RPWUZVMVSA-N 1 2 421.516 3.870 20 30 HHEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)Cc2cccc(F)c2)cc1 ZINC000513429038 1004962301 /nfs/dbraw/zinc/96/23/01/1004962301.db2.gz AXZGRBBDFXBKCB-RPWUZVMVSA-N 1 2 421.516 3.870 20 30 HHEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)cc1 ZINC000502294051 1004997720 /nfs/dbraw/zinc/99/77/20/1004997720.db2.gz PRQPMEJYUCFNEJ-UHFFFAOYSA-N 1 2 401.514 3.942 20 30 HHEDLO N#C[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513582282 1005035318 /nfs/dbraw/zinc/03/53/18/1005035318.db2.gz KWEKGFJYHVDMMQ-KKSFZXQISA-N 1 2 415.415 3.820 20 30 HHEDLO N#C[C@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513582282 1005035325 /nfs/dbraw/zinc/03/53/25/1005035325.db2.gz KWEKGFJYHVDMMQ-KKSFZXQISA-N 1 2 415.415 3.820 20 30 HHEDLO N#C[C@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513659655 1005070167 /nfs/dbraw/zinc/07/01/67/1005070167.db2.gz GEAGKTLLJKLPSD-OYHNWAKOSA-N 1 2 404.857 3.840 20 30 HHEDLO N#C[C@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513659655 1005070172 /nfs/dbraw/zinc/07/01/72/1005070172.db2.gz GEAGKTLLJKLPSD-OYHNWAKOSA-N 1 2 404.857 3.840 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000513785562 1005125485 /nfs/dbraw/zinc/12/54/85/1005125485.db2.gz OTMGMQQVBLGZOP-DEOSSOPVSA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000513785562 1005125489 /nfs/dbraw/zinc/12/54/89/1005125489.db2.gz OTMGMQQVBLGZOP-DEOSSOPVSA-N 1 2 402.519 3.980 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503413205 1005412649 /nfs/dbraw/zinc/41/26/49/1005412649.db2.gz XVCGLYZVWGAHKE-INIZCTEOSA-N 1 2 420.582 3.963 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCSc3ccc(F)cc3)CC2)cc1 ZINC000503598935 1005462047 /nfs/dbraw/zinc/46/20/47/1005462047.db2.gz BTHIDUONSARZQM-UHFFFAOYSA-N 1 2 412.534 3.707 20 30 HHEDLO COC(=O)c1cccc(C[NH+]2CCC([C@@H]3c4ccc(Cl)cc4NC3=O)CC2)c1C#N ZINC000534475029 1006463379 /nfs/dbraw/zinc/46/33/79/1006463379.db2.gz URCJEOQQIUKKCX-OAQYLSRUSA-N 1 2 423.900 3.946 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOc3cccc4ccccc43)CC2)cc1 ZINC000515745518 1006635888 /nfs/dbraw/zinc/63/58/88/1006635888.db2.gz GGGBXJLEMUKJNN-UHFFFAOYSA-N 1 2 414.509 3.618 20 30 HHEDLO CN(C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)C1(C#N)CCCCC1 ZINC000516197604 1006936781 /nfs/dbraw/zinc/93/67/81/1006936781.db2.gz MEJJYHRHEIJXPW-MJGOQNOKSA-N 1 2 410.345 3.568 20 30 HHEDLO CN(C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)C1(C#N)CCCCC1 ZINC000516197604 1006936795 /nfs/dbraw/zinc/93/67/95/1006936795.db2.gz MEJJYHRHEIJXPW-MJGOQNOKSA-N 1 2 410.345 3.568 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538662244 1006937647 /nfs/dbraw/zinc/93/76/47/1006937647.db2.gz LYOZGPARGUITHX-QGZVFWFLSA-N 1 2 420.904 3.815 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000538662244 1006937661 /nfs/dbraw/zinc/93/76/61/1006937661.db2.gz LYOZGPARGUITHX-QGZVFWFLSA-N 1 2 420.904 3.815 20 30 HHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000516253693 1006975114 /nfs/dbraw/zinc/97/51/14/1006975114.db2.gz VUBUWZUGPYDVBR-UHFFFAOYSA-N 1 2 415.497 3.834 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000532662519 1007079367 /nfs/dbraw/zinc/07/93/67/1007079367.db2.gz NCBHCCHLSQGYHS-GOSISDBHSA-N 1 2 424.570 3.957 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000532662519 1007079382 /nfs/dbraw/zinc/07/93/82/1007079382.db2.gz NCBHCCHLSQGYHS-GOSISDBHSA-N 1 2 424.570 3.957 20 30 HHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000538808716 1007088078 /nfs/dbraw/zinc/08/80/78/1007088078.db2.gz LOKQWLLQQLEZAF-ZDUSSCGKSA-N 1 2 416.312 3.642 20 30 HHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000538808716 1007088092 /nfs/dbraw/zinc/08/80/92/1007088092.db2.gz LOKQWLLQQLEZAF-ZDUSSCGKSA-N 1 2 416.312 3.642 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Br)o1 ZINC000532899162 1007276367 /nfs/dbraw/zinc/27/63/67/1007276367.db2.gz WENUIRSJTACNIU-CYBMUJFWSA-N 1 2 408.271 3.948 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000532899162 1007276377 /nfs/dbraw/zinc/27/63/77/1007276377.db2.gz WENUIRSJTACNIU-CYBMUJFWSA-N 1 2 408.271 3.948 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532903966 1007280522 /nfs/dbraw/zinc/28/05/22/1007280522.db2.gz DFTNKGQUEYVNNM-MRXNPFEDSA-N 1 2 411.527 3.780 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532903966 1007280529 /nfs/dbraw/zinc/28/05/29/1007280529.db2.gz DFTNKGQUEYVNNM-MRXNPFEDSA-N 1 2 411.527 3.780 20 30 HHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)c1C#N ZINC000532905672 1007281318 /nfs/dbraw/zinc/28/13/18/1007281318.db2.gz KESOPHZZTXJKOM-UHFFFAOYSA-N 1 2 423.561 3.831 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCc4sc(Cl)cc43)CC2)cc1 ZINC000516824874 1007312919 /nfs/dbraw/zinc/31/29/19/1007312919.db2.gz YFBMDFCEEMOAQP-KRWDZBQOSA-N 1 2 400.935 3.788 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCc4sc(Cl)cc43)CC2)cc1 ZINC000516824875 1007313080 /nfs/dbraw/zinc/31/30/80/1007313080.db2.gz YFBMDFCEEMOAQP-QGZVFWFLSA-N 1 2 400.935 3.788 20 30 HHEDLO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000532944839 1007315457 /nfs/dbraw/zinc/31/54/57/1007315457.db2.gz PUISFKDXXYSNFE-AWEZNQCLSA-N 1 2 409.964 3.731 20 30 HHEDLO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000532944839 1007315473 /nfs/dbraw/zinc/31/54/73/1007315473.db2.gz PUISFKDXXYSNFE-AWEZNQCLSA-N 1 2 409.964 3.731 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2C)cc1C#N ZINC000533079616 1007442233 /nfs/dbraw/zinc/44/22/33/1007442233.db2.gz OWGZRQNSVVPKBJ-UHFFFAOYSA-N 1 2 402.292 3.708 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)cc1C#N ZINC000533079616 1007442238 /nfs/dbraw/zinc/44/22/38/1007442238.db2.gz OWGZRQNSVVPKBJ-UHFFFAOYSA-N 1 2 402.292 3.708 20 30 HHEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000533229464 1007552191 /nfs/dbraw/zinc/55/21/91/1007552191.db2.gz VVYCTCXNWQFHDP-MRXNPFEDSA-N 1 2 410.543 3.511 20 30 HHEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1 ZINC000533229464 1007552201 /nfs/dbraw/zinc/55/22/01/1007552201.db2.gz VVYCTCXNWQFHDP-MRXNPFEDSA-N 1 2 410.543 3.511 20 30 HHEDLO Cc1cc(C)c(C[NH+]2CCN(c3ncccc3C#N)CC2)c(OCc2ccccc2)n1 ZINC000517411371 1007636232 /nfs/dbraw/zinc/63/62/32/1007636232.db2.gz DQMKKDCGUIQSCG-UHFFFAOYSA-N 1 2 413.525 3.866 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c1C#N ZINC000533338726 1007645591 /nfs/dbraw/zinc/64/55/91/1007645591.db2.gz DBWSJZBIOSBTTL-UHFFFAOYSA-N 1 2 412.509 3.933 20 30 HHEDLO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cccc1[N+](=O)[O-] ZINC000533424568 1007733175 /nfs/dbraw/zinc/73/31/75/1007733175.db2.gz HJVOYQTYNFWNDE-MRXNPFEDSA-N 1 2 408.458 3.645 20 30 HHEDLO O=C(C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000533434540 1007746533 /nfs/dbraw/zinc/74/65/33/1007746533.db2.gz QRAYJOGITAHYNZ-SECBINFHSA-N 1 2 400.285 3.604 20 30 HHEDLO O=C(C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000533434540 1007746544 /nfs/dbraw/zinc/74/65/44/1007746544.db2.gz QRAYJOGITAHYNZ-SECBINFHSA-N 1 2 400.285 3.604 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000533447729 1007763141 /nfs/dbraw/zinc/76/31/41/1007763141.db2.gz UFECFNGAWPLVGA-UHFFFAOYSA-N 1 2 418.497 3.751 20 30 HHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000533447729 1007763152 /nfs/dbraw/zinc/76/31/52/1007763152.db2.gz UFECFNGAWPLVGA-UHFFFAOYSA-N 1 2 418.497 3.751 20 30 HHEDLO N#Cc1ccc(CSCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000517625241 1007833507 /nfs/dbraw/zinc/83/35/07/1007833507.db2.gz LUOZNWUYYBALMH-UHFFFAOYSA-N 1 2 406.511 3.874 20 30 HHEDLO C=CCOCC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000517817194 1007991157 /nfs/dbraw/zinc/99/11/57/1007991157.db2.gz BFONXVWEVQQGKK-LJQANCHMSA-N 1 2 402.585 3.888 20 30 HHEDLO C=CCOCC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000517817194 1007991162 /nfs/dbraw/zinc/99/11/62/1007991162.db2.gz BFONXVWEVQQGKK-LJQANCHMSA-N 1 2 402.585 3.888 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540255304 1008355739 /nfs/dbraw/zinc/35/57/39/1008355739.db2.gz XSIJLMCUQSJASV-UXHICEINSA-N 1 2 400.885 3.985 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540255304 1008355742 /nfs/dbraw/zinc/35/57/42/1008355742.db2.gz XSIJLMCUQSJASV-UXHICEINSA-N 1 2 400.885 3.985 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000540395431 1008414905 /nfs/dbraw/zinc/41/49/05/1008414905.db2.gz RIGIPYGBRNZYBY-FGZHOGPDSA-N 1 2 424.932 3.569 20 30 HHEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000540411908 1008421927 /nfs/dbraw/zinc/42/19/27/1008421927.db2.gz JEPNCDNQQYIEDF-HXUWFJFHSA-N 1 2 404.514 3.582 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c(F)c1 ZINC000542991464 1008571266 /nfs/dbraw/zinc/57/12/66/1008571266.db2.gz GETQVFZUNQFVTP-FQEVSTJZSA-N 1 2 407.424 3.625 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c(F)c1 ZINC000542991464 1008571269 /nfs/dbraw/zinc/57/12/69/1008571269.db2.gz GETQVFZUNQFVTP-FQEVSTJZSA-N 1 2 407.424 3.625 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c(F)c1 ZINC000542991465 1008571713 /nfs/dbraw/zinc/57/17/13/1008571713.db2.gz GETQVFZUNQFVTP-HXUWFJFHSA-N 1 2 407.424 3.625 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c(F)c1 ZINC000542991465 1008571726 /nfs/dbraw/zinc/57/17/26/1008571726.db2.gz GETQVFZUNQFVTP-HXUWFJFHSA-N 1 2 407.424 3.625 20 30 HHEDLO Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)nn1-c1cccc(C#N)c1 ZINC000543094918 1008669788 /nfs/dbraw/zinc/66/97/88/1008669788.db2.gz FIZHHXRQOWZWRL-UHFFFAOYSA-N 1 2 402.502 3.582 20 30 HHEDLO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549253352 1008824494 /nfs/dbraw/zinc/82/44/94/1008824494.db2.gz SAQGFJVDUHWMNF-SFHVURJKSA-N 1 2 422.508 3.855 20 30 HHEDLO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000549326930 1008905419 /nfs/dbraw/zinc/90/54/19/1008905419.db2.gz KBUTYXWBXULFAW-FXAWDEMLSA-N 1 2 415.969 3.927 20 30 HHEDLO CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000549330686 1008910041 /nfs/dbraw/zinc/91/00/41/1008910041.db2.gz ZDPOLJAHROOWII-IBGZPJMESA-N 1 2 403.526 3.845 20 30 HHEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(Br)c1 ZINC000519814137 1009017768 /nfs/dbraw/zinc/01/77/68/1009017768.db2.gz NLHRGRPUXNUZPY-UHFFFAOYSA-N 1 2 414.303 3.688 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543541568 1009134875 /nfs/dbraw/zinc/13/48/75/1009134875.db2.gz DERVNBVFHAVKNW-ZIAGYGMSSA-N 1 2 419.323 3.739 20 30 HHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 ZINC000549822887 1009434275 /nfs/dbraw/zinc/43/42/75/1009434275.db2.gz YPAKBUHYUIIXAI-OKILXGFUSA-N 1 2 418.419 3.834 20 30 HHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1 ZINC000549822887 1009434280 /nfs/dbraw/zinc/43/42/80/1009434280.db2.gz YPAKBUHYUIIXAI-OKILXGFUSA-N 1 2 418.419 3.834 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543893168 1009473060 /nfs/dbraw/zinc/47/30/60/1009473060.db2.gz FLKFKZBLBJWKQO-PZJWPPBQSA-N 1 2 416.447 3.952 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543893168 1009473065 /nfs/dbraw/zinc/47/30/65/1009473065.db2.gz FLKFKZBLBJWKQO-PZJWPPBQSA-N 1 2 416.447 3.952 20 30 HHEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543905867 1009490048 /nfs/dbraw/zinc/49/00/48/1009490048.db2.gz IFJMBRJIDFIMQZ-SFHVURJKSA-N 1 2 406.530 3.696 20 30 HHEDLO C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543905867 1009490055 /nfs/dbraw/zinc/49/00/55/1009490055.db2.gz IFJMBRJIDFIMQZ-SFHVURJKSA-N 1 2 406.530 3.696 20 30 HHEDLO N#CCc1cccc(-c2nc(-c3ccc(N4CCN(c5cccc[nH+]5)CC4)nc3)no2)c1 ZINC000546510153 1009533495 /nfs/dbraw/zinc/53/34/95/1009533495.db2.gz PXGHSBWRBJPTMP-UHFFFAOYSA-N 1 2 423.480 3.586 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543950306 1009548575 /nfs/dbraw/zinc/54/85/75/1009548575.db2.gz MITPQIBBPJTNLW-DENIHFKCSA-N 1 2 401.432 3.860 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543950306 1009548584 /nfs/dbraw/zinc/54/85/84/1009548584.db2.gz MITPQIBBPJTNLW-DENIHFKCSA-N 1 2 401.432 3.860 20 30 HHEDLO Cc1nc(NCc2cccc(C(=O)NCc3nc(-c4cccc(C#N)c4)c[nH]3)c2)cc[nH+]1 ZINC000544557942 1010187142 /nfs/dbraw/zinc/18/71/42/1010187142.db2.gz KFDLVEFSQKNUFH-UHFFFAOYSA-N 1 2 423.480 3.589 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000521418554 1010364302 /nfs/dbraw/zinc/36/43/02/1010364302.db2.gz ACVHMOKRBABJQI-RBUKOAKNSA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000521418554 1010364311 /nfs/dbraw/zinc/36/43/11/1010364311.db2.gz ACVHMOKRBABJQI-RBUKOAKNSA-N 1 2 402.857 3.544 20 30 HHEDLO C=CCCO[C@H](C)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000545101168 1010615490 /nfs/dbraw/zinc/61/54/90/1010615490.db2.gz UPSJOZKAJSHRSR-QGZVFWFLSA-N 1 2 406.490 3.507 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521883466 1010684380 /nfs/dbraw/zinc/68/43/80/1010684380.db2.gz QOHSYDYOBDBZSW-FQEVSTJZSA-N 1 2 418.484 3.963 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)cc1 ZINC000521963183 1010740909 /nfs/dbraw/zinc/74/09/09/1010740909.db2.gz KNYQATPQCYATRN-UHFFFAOYSA-N 1 2 421.541 3.850 20 30 HHEDLO CCOCC[NH+]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC000522634803 1011126700 /nfs/dbraw/zinc/12/67/00/1011126700.db2.gz LYGMLORLFRYCTC-UHFFFAOYSA-N 1 2 413.905 3.798 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000540714524 1011365175 /nfs/dbraw/zinc/36/51/75/1011365175.db2.gz VHDDARMKRSRDQP-HXUWFJFHSA-N 1 2 403.526 3.605 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000540864799 1011539623 /nfs/dbraw/zinc/53/96/23/1011539623.db2.gz QHWWRBHRDVGLMX-CRAIPNDOSA-N 1 2 418.501 3.760 20 30 HHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(C#N)c1C ZINC000540864799 1011539632 /nfs/dbraw/zinc/53/96/32/1011539632.db2.gz QHWWRBHRDVGLMX-CRAIPNDOSA-N 1 2 418.501 3.760 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000536349891 1011556112 /nfs/dbraw/zinc/55/61/12/1011556112.db2.gz LMHCWBVRLLKVPP-VQTJNVASSA-N 1 2 424.932 3.641 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000536349891 1011556124 /nfs/dbraw/zinc/55/61/24/1011556124.db2.gz LMHCWBVRLLKVPP-VQTJNVASSA-N 1 2 424.932 3.641 20 30 HHEDLO C=CC[N@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536365256 1011572617 /nfs/dbraw/zinc/57/26/17/1011572617.db2.gz NRMDFHPGKHJXFY-CQSZACIVSA-N 1 2 421.530 3.739 20 30 HHEDLO C=CC[N@@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536365256 1011572629 /nfs/dbraw/zinc/57/26/29/1011572629.db2.gz NRMDFHPGKHJXFY-CQSZACIVSA-N 1 2 421.530 3.739 20 30 HHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000523147945 1011624031 /nfs/dbraw/zinc/62/40/31/1011624031.db2.gz JFWWQOPEELACLB-UHFFFAOYSA-N 1 2 424.570 3.750 20 30 HHEDLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000541092861 1011737109 /nfs/dbraw/zinc/73/71/09/1011737109.db2.gz OCJZWEHRCSQPFX-GBESFXJTSA-N 1 2 406.530 3.695 20 30 HHEDLO C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105125 1011752197 /nfs/dbraw/zinc/75/21/97/1011752197.db2.gz VXPYBEWLTYEUSP-SFHVURJKSA-N 1 2 406.530 3.696 20 30 HHEDLO C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541105125 1011752211 /nfs/dbraw/zinc/75/22/11/1011752211.db2.gz VXPYBEWLTYEUSP-SFHVURJKSA-N 1 2 406.530 3.696 20 30 HHEDLO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541117875 1011769737 /nfs/dbraw/zinc/76/97/37/1011769737.db2.gz RAYHPMMZCPAPAU-SFHVURJKSA-N 1 2 406.530 3.696 20 30 HHEDLO COc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2F)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000541294871 1011996041 /nfs/dbraw/zinc/99/60/41/1011996041.db2.gz ZZKOVEUHISKCGP-QHCPKHFHSA-N 1 2 424.497 3.989 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000541662161 1012490411 /nfs/dbraw/zinc/49/04/11/1012490411.db2.gz KGAJSEVVQJRRON-UHFFFAOYSA-N 1 2 402.267 3.847 20 30 HHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000541662161 1012490424 /nfs/dbraw/zinc/49/04/24/1012490424.db2.gz KGAJSEVVQJRRON-UHFFFAOYSA-N 1 2 402.267 3.847 20 30 HHEDLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)ccc2NC1=O ZINC000537155721 1012552219 /nfs/dbraw/zinc/55/22/19/1012552219.db2.gz ADLCSAHLUPLCRT-UGSOOPFHSA-N 1 2 403.442 3.569 20 30 HHEDLO CCOC(=O)c1c(NC(=O)C[NH+]2CCC(CC#N)CC2)sc2c1CC[C@@H](C)C2 ZINC000541948182 1012808297 /nfs/dbraw/zinc/80/82/97/1012808297.db2.gz HQEJTOZOZKRPTF-CQSZACIVSA-N 1 2 403.548 3.614 20 30 HHEDLO C[C@H](c1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1)[NH+]1CCOCC1 ZINC000552950664 1012936816 /nfs/dbraw/zinc/93/68/16/1012936816.db2.gz ALFUWOFAMKJTHY-YLJYHZDGSA-N 1 2 422.504 3.556 20 30 HHEDLO CCN(CC)C(=O)C1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000553026704 1013001626 /nfs/dbraw/zinc/00/16/26/1013001626.db2.gz ZOUNCUGLUHQDMW-QGZVFWFLSA-N 1 2 416.591 3.600 20 30 HHEDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611855443 1072156580 /nfs/dbraw/zinc/15/65/80/1072156580.db2.gz XJVDYBJYUOPRAR-YADARESESA-N 1 2 418.541 3.792 20 30 HHEDLO N#CCOc1cccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000760530305 1072555942 /nfs/dbraw/zinc/55/59/42/1072555942.db2.gz FJIPAVUZGDCSTQ-LJQANCHMSA-N 1 2 415.896 3.705 20 30 HHEDLO N#CCOc1cccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000760530305 1072555946 /nfs/dbraw/zinc/55/59/46/1072555946.db2.gz FJIPAVUZGDCSTQ-LJQANCHMSA-N 1 2 415.896 3.705 20 30 HHEDLO CCOC1CC(CNc2c(C#N)cnc3c(Cl)cc(C)cc32)([NH+]2CCOCC2)C1 ZINC000554933725 1072966582 /nfs/dbraw/zinc/96/65/82/1072966582.db2.gz CNKAGUZHNRTBNV-UHFFFAOYSA-N 1 2 414.937 3.750 20 30 HHEDLO Cc1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Br)c1 ZINC000899894545 1073946042 /nfs/dbraw/zinc/94/60/42/1073946042.db2.gz MFVMUSPNGTZGLZ-HJWRWDBZSA-N 1 2 424.342 3.987 20 30 HHEDLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CC(=O)NC1(C#N)CCCCC1)OCCO3 ZINC000591317397 1074244907 /nfs/dbraw/zinc/24/49/07/1074244907.db2.gz AIJMLQQTABTZFS-SFHVURJKSA-N 1 2 423.557 3.989 20 30 HHEDLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CC(=O)NC1(C#N)CCCCC1)OCCO3 ZINC000591317397 1074244913 /nfs/dbraw/zinc/24/49/13/1074244913.db2.gz AIJMLQQTABTZFS-SFHVURJKSA-N 1 2 423.557 3.989 20 30 HHEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000574479405 1075253414 /nfs/dbraw/zinc/25/34/14/1075253414.db2.gz FZSNSZZHIJGPBH-GOTSBHOMSA-N 1 2 417.488 3.648 20 30 HHEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000574479405 1075253417 /nfs/dbraw/zinc/25/34/17/1075253417.db2.gz FZSNSZZHIJGPBH-GOTSBHOMSA-N 1 2 417.488 3.648 20 30 HHEDLO N#CCc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164677550 719529076 /nfs/dbraw/zinc/52/90/76/719529076.db2.gz FOCJAYVDHPEZCA-UHFFFAOYSA-N 1 2 414.912 3.812 20 30 HHEDLO N#CCc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164677550 719529082 /nfs/dbraw/zinc/52/90/82/719529082.db2.gz FOCJAYVDHPEZCA-UHFFFAOYSA-N 1 2 414.912 3.812 20 30 HHEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3cc(F)ccc3c(Cl)c2C#N)CC1 ZINC001164919283 721821895 /nfs/dbraw/zinc/82/18/95/721821895.db2.gz PBSANKMREPQCOV-UHFFFAOYSA-N 1 2 424.911 3.845 20 30 HHEDLO N#Cc1cc(Br)ccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000302130413 971183405 /nfs/dbraw/zinc/18/34/05/971183405.db2.gz BTIMPXZMZKRLHL-UHFFFAOYSA-N 1 2 416.319 3.644 20 30 HHEDLO Cc1cc(C(O)=CONC(=[NH2+])COc2ccccc2)c(C)n1CCc1cccs1 ZINC000302973032 971428190 /nfs/dbraw/zinc/42/81/90/971428190.db2.gz RLIZPTJLQVMGRQ-UHFFFAOYSA-N 1 2 411.527 3.960 20 30 HHEDLO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000303399928 971682126 /nfs/dbraw/zinc/68/21/26/971682126.db2.gz QQCJABVBRKNQIZ-MSOLQXFVSA-N 1 2 416.591 3.504 20 30 HHEDLO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000303399928 971682132 /nfs/dbraw/zinc/68/21/32/971682132.db2.gz QQCJABVBRKNQIZ-MSOLQXFVSA-N 1 2 416.591 3.504 20 30 HHEDLO COc1ccccc1COC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000537685081 1013247137 /nfs/dbraw/zinc/24/71/37/1013247137.db2.gz FSZVNNVDFZTQPF-MRXNPFEDSA-N 1 2 411.502 3.785 20 30 HHEDLO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000008530248 961562268 /nfs/dbraw/zinc/56/22/68/961562268.db2.gz RUTVHQGALAJWJN-UHFFFAOYSA-N 1 2 408.340 3.574 20 30 HHEDLO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000008530248 961562277 /nfs/dbraw/zinc/56/22/77/961562277.db2.gz RUTVHQGALAJWJN-UHFFFAOYSA-N 1 2 408.340 3.574 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4ccc(Br)cc43)CC2)cc1 ZINC000017843758 963234525 /nfs/dbraw/zinc/23/45/25/963234525.db2.gz ZBNZOIMZYAYGRD-UHFFFAOYSA-N 1 2 423.314 3.760 20 30 HHEDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778888 963714741 /nfs/dbraw/zinc/71/47/41/963714741.db2.gz BYFCRZCELDWESC-OAQYLSRUSA-N 1 2 416.569 3.503 20 30 HHEDLO C[C@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc2ccccc21 ZINC000022778945 963714834 /nfs/dbraw/zinc/71/48/34/963714834.db2.gz PKHVCLXGBFQRQZ-FQEVSTJZSA-N 1 2 412.537 3.706 20 30 HHEDLO O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000049984391 964231511 /nfs/dbraw/zinc/23/15/11/964231511.db2.gz RVNCWIRTMCBAAK-UHFFFAOYSA-N 1 2 406.427 3.859 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)cc1 ZINC000051265946 964512298 /nfs/dbraw/zinc/51/22/98/964512298.db2.gz USRPNYCZEIZCBP-UHFFFAOYSA-N 1 2 418.501 3.791 20 30 HHEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000026326982 964526202 /nfs/dbraw/zinc/52/62/02/964526202.db2.gz UEUAUJLAEFWWQP-GFCCVEGCSA-N 1 2 407.417 3.837 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)ccc1OC(F)F ZINC000026326982 964526210 /nfs/dbraw/zinc/52/62/10/964526210.db2.gz UEUAUJLAEFWWQP-GFCCVEGCSA-N 1 2 407.417 3.837 20 30 HHEDLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCOc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000026599200 964617708 /nfs/dbraw/zinc/61/77/08/964617708.db2.gz QJOUFWATUTYUII-LJQANCHMSA-N 1 2 417.513 3.674 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C#N)c1C ZINC000026764196 964669494 /nfs/dbraw/zinc/66/94/94/964669494.db2.gz WMTPGVNQWQEDQV-HNNXBMFYSA-N 1 2 400.910 3.566 20 30 HHEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801382 964988613 /nfs/dbraw/zinc/98/86/13/964988613.db2.gz XFMZCKLQFXPHCA-HNNXBMFYSA-N 1 2 400.885 3.890 20 30 HHEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801382 964988623 /nfs/dbraw/zinc/98/86/23/964988623.db2.gz XFMZCKLQFXPHCA-HNNXBMFYSA-N 1 2 400.885 3.890 20 30 HHEDLO C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)cc2[nH]c1=S ZINC000028167670 965048439 /nfs/dbraw/zinc/04/84/39/965048439.db2.gz YZNNDKHJOIDNGW-UHFFFAOYSA-N 1 2 420.538 3.719 20 30 HHEDLO N#Cc1cccc(OCCSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)c1 ZINC000053266163 965109980 /nfs/dbraw/zinc/10/99/80/965109980.db2.gz OHIUJJYBCOFKNH-UHFFFAOYSA-N 1 2 419.554 3.965 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(OC)cc1 ZINC000054272061 965453237 /nfs/dbraw/zinc/45/32/37/965453237.db2.gz BLUGPGIZBWKEFB-UHFFFAOYSA-N 1 2 411.893 3.556 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(OC)cc1 ZINC000054272061 965453245 /nfs/dbraw/zinc/45/32/45/965453245.db2.gz BLUGPGIZBWKEFB-UHFFFAOYSA-N 1 2 411.893 3.556 20 30 HHEDLO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1cccc(F)c1 ZINC000029696616 965463130 /nfs/dbraw/zinc/46/31/30/965463130.db2.gz MOVYVPQBYBLHJL-LJQANCHMSA-N 1 2 424.520 3.627 20 30 HHEDLO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1cccc(F)c1 ZINC000029696616 965463132 /nfs/dbraw/zinc/46/31/32/965463132.db2.gz MOVYVPQBYBLHJL-LJQANCHMSA-N 1 2 424.520 3.627 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)Cc1cccc(C#N)c1 ZINC000058396633 965719722 /nfs/dbraw/zinc/71/97/22/965719722.db2.gz QAGKDYAMTHGQFK-UHFFFAOYSA-N 1 2 422.960 3.544 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)Cc1cccc(C#N)c1 ZINC000058396633 965719727 /nfs/dbraw/zinc/71/97/27/965719727.db2.gz QAGKDYAMTHGQFK-UHFFFAOYSA-N 1 2 422.960 3.544 20 30 HHEDLO N#Cc1ccccc1OCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000060422837 966138051 /nfs/dbraw/zinc/13/80/51/966138051.db2.gz AOFUIYCQELJULZ-UHFFFAOYSA-N 1 2 405.527 3.906 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(COc4ccccc4)n3)CC2)cc1 ZINC000060464613 966157233 /nfs/dbraw/zinc/15/72/33/966157233.db2.gz MIUYUEDNDPBRSF-UHFFFAOYSA-N 1 2 404.539 3.912 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000032314271 966220797 /nfs/dbraw/zinc/22/07/97/966220797.db2.gz BNRDLQZVQFEDMC-UHFFFAOYSA-N 1 2 413.524 3.772 20 30 HHEDLO N#Cc1cc(Br)ccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000553881610 1013673733 /nfs/dbraw/zinc/67/37/33/1013673733.db2.gz ZYXIOFCVPSKSHI-INIZCTEOSA-N 1 2 410.109 3.906 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000043755387 967027256 /nfs/dbraw/zinc/02/72/56/967027256.db2.gz ACPMVFGVFZDSHN-INIZCTEOSA-N 1 2 418.522 3.979 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000043755387 967027261 /nfs/dbraw/zinc/02/72/61/967027261.db2.gz ACPMVFGVFZDSHN-INIZCTEOSA-N 1 2 418.522 3.979 20 30 HHEDLO N#CCc1ccc(OCc2cccc(NC(=O)NCCNc3cccc[nH+]3)c2)cc1 ZINC000043783573 967032585 /nfs/dbraw/zinc/03/25/85/967032585.db2.gz SPZTWNSRJZAQFQ-UHFFFAOYSA-N 1 2 401.470 3.960 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC000043924368 967074613 /nfs/dbraw/zinc/07/46/13/967074613.db2.gz AGMKWXJRSLLVDP-UHFFFAOYSA-N 1 2 418.419 3.849 20 30 HHEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)Cc2cccc(F)c2)cc1 ZINC000064248274 967105453 /nfs/dbraw/zinc/10/54/53/967105453.db2.gz AXZGRBBDFXBKCB-DNQXCXABSA-N 1 2 421.516 3.870 20 30 HHEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)Cc2cccc(F)c2)cc1 ZINC000064248274 967105459 /nfs/dbraw/zinc/10/54/59/967105459.db2.gz AXZGRBBDFXBKCB-DNQXCXABSA-N 1 2 421.516 3.870 20 30 HHEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000044568416 967242364 /nfs/dbraw/zinc/24/23/64/967242364.db2.gz BNWDIXUATMJWOP-UHFFFAOYSA-N 1 2 415.497 3.635 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000064808731 967296767 /nfs/dbraw/zinc/29/67/67/967296767.db2.gz RSGWZSQAGBFIRC-FQEVSTJZSA-N 1 2 422.367 3.867 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000064808731 967296770 /nfs/dbraw/zinc/29/67/70/967296770.db2.gz RSGWZSQAGBFIRC-FQEVSTJZSA-N 1 2 422.367 3.867 20 30 HHEDLO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000045748565 967547185 /nfs/dbraw/zinc/54/71/85/967547185.db2.gz LWINLNQHMVATTG-UHFFFAOYSA-N 1 2 415.437 3.988 20 30 HHEDLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)Cc2ccccc2C(F)(F)F)n1 ZINC000045748565 967547188 /nfs/dbraw/zinc/54/71/88/967547188.db2.gz LWINLNQHMVATTG-UHFFFAOYSA-N 1 2 415.437 3.988 20 30 HHEDLO N#Cc1ccccc1CSCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000048105305 968430685 /nfs/dbraw/zinc/43/06/85/968430685.db2.gz STXYDPKWLODFJM-UHFFFAOYSA-N 1 2 419.554 3.578 20 30 HHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000071891123 968882355 /nfs/dbraw/zinc/88/23/55/968882355.db2.gz MEFANTKKQIQPJS-FQEVSTJZSA-N 1 2 405.951 3.714 20 30 HHEDLO CC(C)[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110166714 969632142 /nfs/dbraw/zinc/63/21/42/969632142.db2.gz JEGSBTRABZKNCN-IYOUNJFTSA-N 1 2 413.440 3.572 20 30 HHEDLO CC(C)[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110166714 969632147 /nfs/dbraw/zinc/63/21/47/969632147.db2.gz JEGSBTRABZKNCN-IYOUNJFTSA-N 1 2 413.440 3.572 20 30 HHEDLO C=CCOc1ccc(/C=C\C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1OC ZINC000213989351 970042397 /nfs/dbraw/zinc/04/23/97/970042397.db2.gz OVKCRFDQTDBSIK-LUAWRHEFSA-N 1 2 421.541 3.659 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000554564511 1013978354 /nfs/dbraw/zinc/97/83/54/1013978354.db2.gz CGPKNGQNLREARA-UHFFFAOYSA-N 1 2 414.303 3.673 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000261369337 970628137 /nfs/dbraw/zinc/62/81/37/970628137.db2.gz LBMATGYIMUTXJO-KRWDZBQOSA-N 1 2 423.488 3.761 20 30 HHEDLO N#Cc1cc([N+](=O)[O-])ccc1Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000301112078 970753802 /nfs/dbraw/zinc/75/38/02/970753802.db2.gz XAAQCPPVKHSSKM-UHFFFAOYSA-N 1 2 406.471 3.794 20 30 HHEDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nn1-c1cccc(C#N)c1 ZINC000410279828 973801401 /nfs/dbraw/zinc/80/14/01/973801401.db2.gz RRQHHLYVNVNJCZ-IBGZPJMESA-N 1 2 414.513 3.605 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000426186407 974296068 /nfs/dbraw/zinc/29/60/68/974296068.db2.gz JAQYJTZZZDJJNQ-QGZVFWFLSA-N 1 2 414.550 3.694 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1C#N ZINC000426186407 974296073 /nfs/dbraw/zinc/29/60/73/974296073.db2.gz JAQYJTZZZDJJNQ-QGZVFWFLSA-N 1 2 414.550 3.694 20 30 HHEDLO FC(F)(F)c1ccc(C#CC[NH+]2CCN(c3ncnc4sccc43)CC2)cc1 ZINC000426385917 974426662 /nfs/dbraw/zinc/42/66/62/974426662.db2.gz SLSIOFYWZOTTDP-UHFFFAOYSA-N 1 2 402.445 3.884 20 30 HHEDLO OCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000427015284 974826795 /nfs/dbraw/zinc/82/67/95/974826795.db2.gz HSMJNXPDICJDSO-UHFFFAOYSA-N 1 2 413.443 3.796 20 30 HHEDLO OCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000427015284 974826803 /nfs/dbraw/zinc/82/68/03/974826803.db2.gz HSMJNXPDICJDSO-UHFFFAOYSA-N 1 2 413.443 3.796 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C2)nc1 ZINC000428775189 976048565 /nfs/dbraw/zinc/04/85/65/976048565.db2.gz BIVMFBHXYSCKJI-MRXNPFEDSA-N 1 2 415.375 3.675 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C2)nc1 ZINC000428775189 976048580 /nfs/dbraw/zinc/04/85/80/976048580.db2.gz BIVMFBHXYSCKJI-MRXNPFEDSA-N 1 2 415.375 3.675 20 30 HHEDLO NC(=O)c1ccc(C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C2CC2)c(F)c1 ZINC000428781119 976055070 /nfs/dbraw/zinc/05/50/70/976055070.db2.gz NSBUTWVKBQWTBH-UHFFFAOYSA-N 1 2 406.379 3.839 20 30 HHEDLO NC(=O)c1ccc(C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C2CC2)c(F)c1 ZINC000428781119 976055078 /nfs/dbraw/zinc/05/50/78/976055078.db2.gz NSBUTWVKBQWTBH-UHFFFAOYSA-N 1 2 406.379 3.839 20 30 HHEDLO N#C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000428805674 976084981 /nfs/dbraw/zinc/08/49/81/976084981.db2.gz XAHHHUCGLHLCHU-LJQANCHMSA-N 1 2 403.404 3.532 20 30 HHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000429357561 976624091 /nfs/dbraw/zinc/62/40/91/976624091.db2.gz OEQAUFLVFWGPKZ-QGZVFWFLSA-N 1 2 403.442 3.692 20 30 HHEDLO CCOC(=O)c1csc(C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)n1 ZINC000429582482 976854922 /nfs/dbraw/zinc/85/49/22/976854922.db2.gz CKCNRUKROZPTNB-UHFFFAOYSA-N 1 2 423.498 3.621 20 30 HHEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)ccc1Br ZINC000430240184 977411697 /nfs/dbraw/zinc/41/16/97/977411697.db2.gz LPKQGDGGQFIFKC-GOSISDBHSA-N 1 2 403.324 3.550 20 30 HHEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)ccc1Br ZINC000430240184 977411701 /nfs/dbraw/zinc/41/17/01/977411701.db2.gz LPKQGDGGQFIFKC-GOSISDBHSA-N 1 2 403.324 3.550 20 30 HHEDLO C=CCN1C(=O)N(Cc2ccc(-n3cc[nH+]c3)c(F)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431039592 977971431 /nfs/dbraw/zinc/97/14/31/977971431.db2.gz IMNBNGXEYZFHTB-NRFANRHFSA-N 1 2 404.445 3.573 20 30 HHEDLO CCCN(C(=O)c1cccs1)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000432012818 978645111 /nfs/dbraw/zinc/64/51/11/978645111.db2.gz OEKRDROEKCVPLX-UHFFFAOYSA-N 1 2 410.543 3.575 20 30 HHEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)oc1C ZINC000433193138 979132895 /nfs/dbraw/zinc/13/28/95/979132895.db2.gz OZLVNKNZBXRYJO-AUUYWEPGSA-N 1 2 401.894 3.972 20 30 HHEDLO COc1ccc(Br)cc1C[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000433961543 979718886 /nfs/dbraw/zinc/71/88/86/979718886.db2.gz UWKVJRMWGVISDT-HNNXBMFYSA-N 1 2 420.332 3.628 20 30 HHEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000433961543 979718889 /nfs/dbraw/zinc/71/88/89/979718889.db2.gz UWKVJRMWGVISDT-HNNXBMFYSA-N 1 2 420.332 3.628 20 30 HHEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000434795650 980403413 /nfs/dbraw/zinc/40/34/13/980403413.db2.gz RUXGUEKMKBDUCW-OALUTQOASA-N 1 2 423.538 3.816 20 30 HHEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000434795650 980403415 /nfs/dbraw/zinc/40/34/15/980403415.db2.gz RUXGUEKMKBDUCW-OALUTQOASA-N 1 2 423.538 3.816 20 30 HHEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000434886980 980469884 /nfs/dbraw/zinc/46/98/84/980469884.db2.gz LIWFEPBPWMXCEL-QHCPKHFHSA-N 1 2 424.497 3.989 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2)c1 ZINC000435105056 980641424 /nfs/dbraw/zinc/64/14/24/980641424.db2.gz UDEFRETVWQNIGE-UHFFFAOYSA-N 1 2 414.469 3.945 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2)c1 ZINC000435105056 980641427 /nfs/dbraw/zinc/64/14/27/980641427.db2.gz UDEFRETVWQNIGE-UHFFFAOYSA-N 1 2 414.469 3.945 20 30 HHEDLO C=CCC[C@H](NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000435745204 981013066 /nfs/dbraw/zinc/01/30/66/981013066.db2.gz KOWRNGOTDWTZEF-XXBNENTESA-N 1 2 421.541 3.842 20 30 HHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000436101719 981201153 /nfs/dbraw/zinc/20/11/53/981201153.db2.gz LTNZCIJSPUUDTN-KRWDZBQOSA-N 1 2 406.515 3.751 20 30 HHEDLO Cc1cc(N2CCN(Cc3ccc(C#N)cc3OC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000437421573 982061705 /nfs/dbraw/zinc/06/17/05/982061705.db2.gz XFRISRRIZOHDSH-UHFFFAOYSA-N 1 2 401.461 3.704 20 30 HHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)n2)C1 ZINC000461402676 983072250 /nfs/dbraw/zinc/07/22/50/983072250.db2.gz WRTLNJSXYUKNRI-HNNXBMFYSA-N 1 2 411.531 3.542 20 30 HHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)n2)C1 ZINC000461402676 983072259 /nfs/dbraw/zinc/07/22/59/983072259.db2.gz WRTLNJSXYUKNRI-HNNXBMFYSA-N 1 2 411.531 3.542 20 30 HHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)c1 ZINC000439015849 983211350 /nfs/dbraw/zinc/21/13/50/983211350.db2.gz AOBFNUWXVDNXES-UHFFFAOYSA-N 1 2 415.497 3.577 20 30 HHEDLO CCCc1c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439692058 983503958 /nfs/dbraw/zinc/50/39/58/983503958.db2.gz OGJNTYXAYGRZLK-UHFFFAOYSA-N 1 2 403.490 3.831 20 30 HHEDLO COc1cc(C[NH+]2CCN(CC#Cc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000441161397 984096277 /nfs/dbraw/zinc/09/62/77/984096277.db2.gz ZOSIKKGGKKGKEN-UHFFFAOYSA-N 1 2 414.933 3.535 20 30 HHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441378863 984219543 /nfs/dbraw/zinc/21/95/43/984219543.db2.gz NFLYXUMIFUFGMG-QZTJIDSGSA-N 1 2 402.970 3.750 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000441471754 984269448 /nfs/dbraw/zinc/26/94/48/984269448.db2.gz LPFRDDRPAMFQAN-LJQANCHMSA-N 1 2 403.526 3.721 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)[C@H](C)C1 ZINC000441471754 984269451 /nfs/dbraw/zinc/26/94/51/984269451.db2.gz LPFRDDRPAMFQAN-LJQANCHMSA-N 1 2 403.526 3.721 20 30 HHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441490893 984283243 /nfs/dbraw/zinc/28/32/43/984283243.db2.gz MXYBWLFXAUOKKQ-QHCPKHFHSA-N 1 2 418.545 3.717 20 30 HHEDLO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000441855667 984502329 /nfs/dbraw/zinc/50/23/29/984502329.db2.gz PYYWYRSYBBHQSG-UHFFFAOYSA-N 1 2 418.497 3.675 20 30 HHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2C)ccc1C#N ZINC000442802522 985220821 /nfs/dbraw/zinc/22/08/21/985220821.db2.gz RKRQJIQGGIQGIQ-UHFFFAOYSA-N 1 2 402.292 3.708 20 30 HHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)ccc1C#N ZINC000442802522 985220830 /nfs/dbraw/zinc/22/08/30/985220830.db2.gz RKRQJIQGGIQGIQ-UHFFFAOYSA-N 1 2 402.292 3.708 20 30 HHEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1O ZINC000442894876 985265622 /nfs/dbraw/zinc/26/56/22/985265622.db2.gz CNFWEGNGLCNSHV-UHFFFAOYSA-N 1 2 403.404 3.631 20 30 HHEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1O ZINC000442894876 985265646 /nfs/dbraw/zinc/26/56/46/985265646.db2.gz CNFWEGNGLCNSHV-UHFFFAOYSA-N 1 2 403.404 3.631 20 30 HHEDLO CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442980906 985316015 /nfs/dbraw/zinc/31/60/15/985316015.db2.gz DKWHWRKSHRJSPL-UHFFFAOYSA-N 1 2 408.527 3.650 20 30 HHEDLO N#Cc1ccccc1S(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000443063640 985358259 /nfs/dbraw/zinc/35/82/59/985358259.db2.gz DJLMQUZRGYMZSS-UHFFFAOYSA-N 1 2 424.353 3.808 20 30 HHEDLO COc1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccccc2OC)cc1 ZINC000443463584 985637477 /nfs/dbraw/zinc/63/74/77/985637477.db2.gz SXRGZDNVMJEYSY-QHCPKHFHSA-N 1 2 407.514 3.725 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462729509 985676938 /nfs/dbraw/zinc/67/69/38/985676938.db2.gz QWGOWQQLCIEUCK-INIZCTEOSA-N 1 2 414.531 3.556 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(Br)cn1C ZINC000468064483 985722930 /nfs/dbraw/zinc/72/29/30/985722930.db2.gz HJRMICLKYHCERZ-CQSZACIVSA-N 1 2 421.314 3.694 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468064483 985722940 /nfs/dbraw/zinc/72/29/40/985722940.db2.gz HJRMICLKYHCERZ-CQSZACIVSA-N 1 2 421.314 3.694 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1cc(Br)cn1C ZINC000468096715 985755601 /nfs/dbraw/zinc/75/56/01/985755601.db2.gz NAIAUSTUTYOJGO-NSHDSACASA-N 1 2 409.715 3.772 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468096715 985755615 /nfs/dbraw/zinc/75/56/15/985755615.db2.gz NAIAUSTUTYOJGO-NSHDSACASA-N 1 2 409.715 3.772 20 30 HHEDLO N#Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000443878616 986079768 /nfs/dbraw/zinc/07/97/68/986079768.db2.gz MQNMGUOLVXWFJT-UHFFFAOYSA-N 1 2 401.304 3.923 20 30 HHEDLO C=CCc1cc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc(OC)c1O ZINC000468475498 986169988 /nfs/dbraw/zinc/16/99/88/986169988.db2.gz NBTOVBJWNMFMKY-GOSISDBHSA-N 1 2 419.319 3.550 20 30 HHEDLO C=CCc1cc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc(OC)c1O ZINC000468475498 986169990 /nfs/dbraw/zinc/16/99/90/986169990.db2.gz NBTOVBJWNMFMKY-GOSISDBHSA-N 1 2 419.319 3.550 20 30 HHEDLO N#Cc1ccc(OCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000463706380 986692329 /nfs/dbraw/zinc/69/23/29/986692329.db2.gz RHRHOVWAAYIVHY-UHFFFAOYSA-N 1 2 401.470 3.959 20 30 HHEDLO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469076789 986789892 /nfs/dbraw/zinc/78/98/92/986789892.db2.gz VXRRAJVNWRCZHD-ZDUSSCGKSA-N 1 2 411.333 3.595 20 30 HHEDLO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469076789 986789901 /nfs/dbraw/zinc/78/99/01/986789901.db2.gz VXRRAJVNWRCZHD-ZDUSSCGKSA-N 1 2 411.333 3.595 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000469086662 986799959 /nfs/dbraw/zinc/79/99/59/986799959.db2.gz YQWXILVEIZGWPD-MRXNPFEDSA-N 1 2 413.905 3.797 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(OC)c1 ZINC000469142437 986863524 /nfs/dbraw/zinc/86/35/24/986863524.db2.gz VQSCHCNUYUNRFR-UHFFFAOYSA-N 1 2 409.530 3.742 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1 ZINC000470463040 988449877 /nfs/dbraw/zinc/44/98/77/988449877.db2.gz DRCPUGVCGQMERW-KRWDZBQOSA-N 1 2 413.905 3.845 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCO1 ZINC000470463040 988449892 /nfs/dbraw/zinc/44/98/92/988449892.db2.gz DRCPUGVCGQMERW-KRWDZBQOSA-N 1 2 413.905 3.845 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)C2 ZINC000470845689 988923379 /nfs/dbraw/zinc/92/33/79/988923379.db2.gz SRESLMRRCHIKIR-QGZVFWFLSA-N 1 2 419.529 3.860 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CC2 ZINC000470845689 988923387 /nfs/dbraw/zinc/92/33/87/988923387.db2.gz SRESLMRRCHIKIR-QGZVFWFLSA-N 1 2 419.529 3.860 20 30 HHEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nccn1Cc1ccccc1 ZINC000464726981 988946491 /nfs/dbraw/zinc/94/64/91/988946491.db2.gz UPPCHZBCPQQNOE-UHFFFAOYSA-N 1 2 407.905 3.917 20 30 HHEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1nccn1Cc1ccccc1 ZINC000464726981 988946500 /nfs/dbraw/zinc/94/65/00/988946500.db2.gz UPPCHZBCPQQNOE-UHFFFAOYSA-N 1 2 407.905 3.917 20 30 HHEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nccn1Cc1ccccc1 ZINC000464734243 988954346 /nfs/dbraw/zinc/95/43/46/988954346.db2.gz KDQZVPGMQMWQKD-UHFFFAOYSA-N 1 2 419.554 3.814 20 30 HHEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nccn1Cc1ccccc1 ZINC000464734243 988954353 /nfs/dbraw/zinc/95/43/53/988954353.db2.gz KDQZVPGMQMWQKD-UHFFFAOYSA-N 1 2 419.554 3.814 20 30 HHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000464801546 989030504 /nfs/dbraw/zinc/03/05/04/989030504.db2.gz HCHJKYNHTRDAQJ-NRFANRHFSA-N 1 2 405.498 3.596 20 30 HHEDLO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000467030052 992338560 /nfs/dbraw/zinc/33/85/60/992338560.db2.gz CJCUMQAZFKKJCM-QHCPKHFHSA-N 1 2 408.521 3.792 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472520265 993512258 /nfs/dbraw/zinc/51/22/58/993512258.db2.gz OPJGRKLVAJRGTI-FYYLOGMGSA-N 1 2 406.505 3.861 20 30 HHEDLO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cc1 ZINC000481112612 993949701 /nfs/dbraw/zinc/94/97/01/993949701.db2.gz AEDXPUVYKTVMHI-UHFFFAOYSA-N 1 2 403.276 3.505 20 30 HHEDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cc1 ZINC000481112612 993949709 /nfs/dbraw/zinc/94/97/09/993949709.db2.gz AEDXPUVYKTVMHI-UHFFFAOYSA-N 1 2 403.276 3.505 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000481286872 994103499 /nfs/dbraw/zinc/10/34/99/994103499.db2.gz SCYRNGMDYKBTID-MJGOQNOKSA-N 1 2 401.461 3.960 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000481286872 994103501 /nfs/dbraw/zinc/10/35/01/994103501.db2.gz SCYRNGMDYKBTID-MJGOQNOKSA-N 1 2 401.461 3.960 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481709895 994572112 /nfs/dbraw/zinc/57/21/12/994572112.db2.gz BCQORNJPAGMVOV-IQMFZBJNSA-N 1 2 407.539 3.957 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481709895 994572120 /nfs/dbraw/zinc/57/21/20/994572120.db2.gz BCQORNJPAGMVOV-IQMFZBJNSA-N 1 2 407.539 3.957 20 30 HHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1C(F)(F)F ZINC000474102404 995082563 /nfs/dbraw/zinc/08/25/63/995082563.db2.gz ZZGDULQANSCXQI-UHFFFAOYSA-N 1 2 420.273 3.516 20 30 HHEDLO C[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(=O)c1cccc(F)c1 ZINC000482609363 995606749 /nfs/dbraw/zinc/60/67/49/995606749.db2.gz YAADXQCYEBEAKH-SFHVURJKSA-N 1 2 407.489 3.709 20 30 HHEDLO COc1cccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2cc(F)ccc2OC)c1 ZINC000475148790 995954152 /nfs/dbraw/zinc/95/41/52/995954152.db2.gz ARJTUGDWHLHAJR-DHIUTWEWSA-N 1 2 413.493 3.576 20 30 HHEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](CO)c3c(Cl)cccc3Cl)C2=O)cc1 ZINC000483229563 996049490 /nfs/dbraw/zinc/04/94/90/996049490.db2.gz BONMRSYVXOMVRH-ROUUACIJSA-N 1 2 404.297 3.684 20 30 HHEDLO C=CCOc1ccccc1CN(C(=O)CCc1c[nH]c[nH+]1)c1ccc2c(c1)OCCO2 ZINC000475932665 996481446 /nfs/dbraw/zinc/48/14/46/996481446.db2.gz KAXAFRQYPYQMOX-UHFFFAOYSA-N 1 2 419.481 3.912 20 30 HHEDLO C=CCOc1ccccc1CN(C(=O)CCc1c[nH+]c[nH]1)c1ccc2c(c1)OCCO2 ZINC000475932665 996481449 /nfs/dbraw/zinc/48/14/49/996481449.db2.gz KAXAFRQYPYQMOX-UHFFFAOYSA-N 1 2 419.481 3.912 20 30 HHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000476178363 996658352 /nfs/dbraw/zinc/65/83/52/996658352.db2.gz ZLNXCJLLFLKHLM-UHFFFAOYSA-N 1 2 406.534 3.997 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476312705 996747878 /nfs/dbraw/zinc/74/78/78/996747878.db2.gz SGVPTTOGYYFVGL-UHFFFAOYSA-N 1 2 418.950 3.534 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718143 998187123 /nfs/dbraw/zinc/18/71/23/998187123.db2.gz CWSZFWMKZHGGEP-NNWRFLSQSA-N 1 2 413.468 3.801 20 30 HHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000485718143 998187128 /nfs/dbraw/zinc/18/71/28/998187128.db2.gz CWSZFWMKZHGGEP-NNWRFLSQSA-N 1 2 413.468 3.801 20 30 HHEDLO CCS[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000485975887 998416989 /nfs/dbraw/zinc/41/69/89/998416989.db2.gz FWKXXFMNHIKAAP-GFCCVEGCSA-N 1 2 407.927 3.869 20 30 HHEDLO CCS[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000485975887 998416996 /nfs/dbraw/zinc/41/69/96/998416996.db2.gz FWKXXFMNHIKAAP-GFCCVEGCSA-N 1 2 407.927 3.869 20 30 HHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000478748858 999120657 /nfs/dbraw/zinc/12/06/57/999120657.db2.gz JYCUFRQRBRKJCE-UHFFFAOYSA-N 1 2 406.534 3.997 20 30 HHEDLO C[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000487373268 999151084 /nfs/dbraw/zinc/15/10/84/999151084.db2.gz OYIZHJDTBPJAOQ-AUSIDOKSSA-N 1 2 408.521 3.888 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)Cc1ccc(OC)cc1 ZINC000487429587 999173719 /nfs/dbraw/zinc/17/37/19/999173719.db2.gz MQTRAFCLYVHOAR-UHFFFAOYSA-N 1 2 405.502 3.724 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)Cc1ccc(OC)cc1 ZINC000487429587 999173723 /nfs/dbraw/zinc/17/37/23/999173723.db2.gz MQTRAFCLYVHOAR-UHFFFAOYSA-N 1 2 405.502 3.724 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)c2)c1 ZINC000487724170 999266221 /nfs/dbraw/zinc/26/62/21/999266221.db2.gz DOACGYNTVWQKRV-UHFFFAOYSA-N 1 2 408.421 3.644 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 ZINC000488353641 999453727 /nfs/dbraw/zinc/45/37/27/999453727.db2.gz UVJYVPOUXJLOIO-JOCHJYFZSA-N 1 2 422.529 3.564 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CCO1 ZINC000488353641 999453729 /nfs/dbraw/zinc/45/37/29/999453729.db2.gz UVJYVPOUXJLOIO-JOCHJYFZSA-N 1 2 422.529 3.564 20 30 HHEDLO N#CC1CC[NH+](CC(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)CC1 ZINC000488430517 999485332 /nfs/dbraw/zinc/48/53/32/999485332.db2.gz MBKHCPIERWAIGS-DAXSKMNVSA-N 1 2 417.509 3.740 20 30 HHEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000489023138 999674773 /nfs/dbraw/zinc/67/47/73/999674773.db2.gz IFLITTBNDHXKCH-QGZVFWFLSA-N 1 2 402.454 3.644 20 30 HHEDLO N#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(OCc2ccccc2)cc1 ZINC000489067079 999688164 /nfs/dbraw/zinc/68/81/64/999688164.db2.gz MGNDVBOSYXSVKJ-QHCPKHFHSA-N 1 2 409.449 3.841 20 30 HHEDLO C=CCC[C@@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000489771419 999834986 /nfs/dbraw/zinc/83/49/86/999834986.db2.gz QHZNMDHFJCGCJF-RBUKOAKNSA-N 1 2 411.468 3.875 20 30 HHEDLO C=CCC[C@@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000489771419 999834988 /nfs/dbraw/zinc/83/49/88/999834988.db2.gz QHZNMDHFJCGCJF-RBUKOAKNSA-N 1 2 411.468 3.875 20 30 HHEDLO C[N@H+](Cc1ccc(C#N)cc1Br)Cc1ccccc1N1CCOCC1 ZINC000480685132 999858707 /nfs/dbraw/zinc/85/87/07/999858707.db2.gz QFFFWKKXPTUKHH-UHFFFAOYSA-N 1 2 400.320 3.789 20 30 HHEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)Cc1ccccc1N1CCOCC1 ZINC000480685132 999858709 /nfs/dbraw/zinc/85/87/09/999858709.db2.gz QFFFWKKXPTUKHH-UHFFFAOYSA-N 1 2 400.320 3.789 20 30 HHEDLO CSCC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2ccccn21 ZINC000491831766 1000096387 /nfs/dbraw/zinc/09/63/87/1000096387.db2.gz LAADPVIQYCCEIH-MRXNPFEDSA-N 1 2 416.348 3.947 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1C(F)(F)F ZINC000492516923 1000130591 /nfs/dbraw/zinc/13/05/91/1000130591.db2.gz WWWMCJLZZAPCIJ-UHFFFAOYSA-N 1 2 405.401 3.796 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOc3ccc4ccccc4c3)CC2)cc1 ZINC000504669872 1000318091 /nfs/dbraw/zinc/31/80/91/1000318091.db2.gz NFQILWDOVMEHNX-UHFFFAOYSA-N 1 2 414.509 3.618 20 30 HHEDLO C=CCCc1ccccc1NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000505046198 1000523462 /nfs/dbraw/zinc/52/34/62/1000523462.db2.gz PWHGGHJDDBXNLF-UHFFFAOYSA-N 1 2 409.530 3.838 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1C#N ZINC000494705386 1000613182 /nfs/dbraw/zinc/61/31/82/1000613182.db2.gz YWATUZPCDBBOSJ-QFIPXVFZSA-N 1 2 420.557 3.854 20 30 HHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1C#N ZINC000494705386 1000613188 /nfs/dbraw/zinc/61/31/88/1000613188.db2.gz YWATUZPCDBBOSJ-QFIPXVFZSA-N 1 2 420.557 3.854 20 30 HHEDLO CC(C)c1nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000505232203 1000634928 /nfs/dbraw/zinc/63/49/28/1000634928.db2.gz JLRJBGZUJHFROM-CYBMUJFWSA-N 1 2 401.898 3.925 20 30 HHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000505273255 1000661700 /nfs/dbraw/zinc/66/17/00/1000661700.db2.gz NYONGWBZRMOFCY-UHFFFAOYSA-N 1 2 409.374 3.772 20 30 HHEDLO CC(C)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1ccco1 ZINC000494837850 1000687568 /nfs/dbraw/zinc/68/75/68/1000687568.db2.gz RLCAZXOSCMMGKB-IBGZPJMESA-N 1 2 424.545 3.860 20 30 HHEDLO CC(C)[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1ccco1 ZINC000494837850 1000687575 /nfs/dbraw/zinc/68/75/75/1000687575.db2.gz RLCAZXOSCMMGKB-IBGZPJMESA-N 1 2 424.545 3.860 20 30 HHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)cc1 ZINC000505475965 1000800692 /nfs/dbraw/zinc/80/06/92/1000800692.db2.gz HRMOSBJGOOAXIV-OAQYLSRUSA-N 1 2 402.429 3.671 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000505676316 1000969883 /nfs/dbraw/zinc/96/98/83/1000969883.db2.gz XNSAFIUZNQLTDL-UHFFFAOYSA-N 1 2 420.557 3.904 20 30 HHEDLO N#C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000505788393 1001024346 /nfs/dbraw/zinc/02/43/46/1001024346.db2.gz BADVOUOFBLMDOC-IBGZPJMESA-N 1 2 407.861 3.560 20 30 HHEDLO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000506031798 1001177067 /nfs/dbraw/zinc/17/70/67/1001177067.db2.gz NEFZQQXPCQZMSA-QHCPKHFHSA-N 1 2 416.525 3.999 20 30 HHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCN(c2cccc(F)c2C#N)CC1 ZINC000496708007 1001217235 /nfs/dbraw/zinc/21/72/35/1001217235.db2.gz PZMVNXKLSDKIKS-UHFFFAOYSA-N 1 2 404.445 3.749 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 ZINC000506112635 1001228199 /nfs/dbraw/zinc/22/81/99/1001228199.db2.gz MGYCDYJWHHAAFW-UHFFFAOYSA-N 1 2 419.510 3.908 20 30 HHEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)ccc1OC ZINC000506165293 1001257056 /nfs/dbraw/zinc/25/70/56/1001257056.db2.gz TWNRTWFQQFUELB-UHFFFAOYSA-N 1 2 406.530 3.616 20 30 HHEDLO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OCCCC#N ZINC000506344190 1001367355 /nfs/dbraw/zinc/36/73/55/1001367355.db2.gz ZLKQRFRDUDKMPA-QGZVFWFLSA-N 1 2 416.543 3.974 20 30 HHEDLO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OCCCC#N ZINC000506344190 1001367361 /nfs/dbraw/zinc/36/73/61/1001367361.db2.gz ZLKQRFRDUDKMPA-QGZVFWFLSA-N 1 2 416.543 3.974 20 30 HHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C#N)c(C)n2)cc1 ZINC000497511005 1001411489 /nfs/dbraw/zinc/41/14/89/1001411489.db2.gz DFVWTTZVCMZVOA-UHFFFAOYSA-N 1 2 403.486 3.590 20 30 HHEDLO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507277964 1001962342 /nfs/dbraw/zinc/96/23/42/1001962342.db2.gz KMNPGQXUJDVZIY-HXUWFJFHSA-N 1 2 402.542 3.508 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498861044 1002245698 /nfs/dbraw/zinc/24/56/98/1002245698.db2.gz JDDIBHIAXVEECZ-VQTJNVASSA-N 1 2 415.946 3.757 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cccc(SCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498861044 1002245705 /nfs/dbraw/zinc/24/57/05/1002245705.db2.gz JDDIBHIAXVEECZ-VQTJNVASSA-N 1 2 415.946 3.757 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498903104 1002295074 /nfs/dbraw/zinc/29/50/74/1002295074.db2.gz DEQQKORGJMDERK-QGZVFWFLSA-N 1 2 410.389 3.743 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498928427 1002326116 /nfs/dbraw/zinc/32/61/16/1002326116.db2.gz IZDDLTZWVDOOSS-QGZVFWFLSA-N 1 2 412.405 3.967 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498928427 1002326125 /nfs/dbraw/zinc/32/61/25/1002326125.db2.gz IZDDLTZWVDOOSS-QGZVFWFLSA-N 1 2 412.405 3.967 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@H+](CC(=O)N(CC)CCC#N)C1CC1 ZINC000507820984 1002366216 /nfs/dbraw/zinc/36/62/16/1002366216.db2.gz AYDWFNDEFZBNQO-UHFFFAOYSA-N 1 2 408.340 3.574 20 30 HHEDLO CCOc1ccc(Br)cc1C[N@@H+](CC(=O)N(CC)CCC#N)C1CC1 ZINC000507820984 1002366230 /nfs/dbraw/zinc/36/62/30/1002366230.db2.gz AYDWFNDEFZBNQO-UHFFFAOYSA-N 1 2 408.340 3.574 20 30 HHEDLO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508492719 1002975880 /nfs/dbraw/zinc/97/58/80/1002975880.db2.gz WVWBFGZVNIHEHP-UHFFFAOYSA-N 1 2 414.435 3.872 20 30 HHEDLO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000508498250 1002981213 /nfs/dbraw/zinc/98/12/13/1002981213.db2.gz QUNLZZFXVNMPFK-KRWDZBQOSA-N 1 2 424.499 3.996 20 30 HHEDLO CCOCc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC ZINC000508593587 1003052809 /nfs/dbraw/zinc/05/28/09/1003052809.db2.gz FYFDCCXMPWRJQH-UHFFFAOYSA-N 1 2 422.485 3.674 20 30 HHEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000499948485 1003270582 /nfs/dbraw/zinc/27/05/82/1003270582.db2.gz BKAUVMLEEOHPLJ-BONVTDFDSA-N 1 2 407.898 3.551 20 30 HHEDLO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000508859518 1003279858 /nfs/dbraw/zinc/27/98/58/1003279858.db2.gz WCEHTJOPYLHKDL-UXHICEINSA-N 1 2 417.504 3.867 20 30 HHEDLO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508897923 1003329234 /nfs/dbraw/zinc/32/92/34/1003329234.db2.gz ZTLOJPSAFNUFER-UHFFFAOYSA-N 1 2 408.937 3.810 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000511850194 1003830111 /nfs/dbraw/zinc/83/01/11/1003830111.db2.gz NTZBSNHPBLKYKP-TZIWHRDSSA-N 1 2 419.422 3.729 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000511850194 1003830128 /nfs/dbraw/zinc/83/01/28/1003830128.db2.gz NTZBSNHPBLKYKP-TZIWHRDSSA-N 1 2 419.422 3.729 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(SC)cc1OC ZINC000509585870 1003962400 /nfs/dbraw/zinc/96/24/00/1003962400.db2.gz QZWJWUCNVIECQY-UHFFFAOYSA-N 1 2 401.507 3.759 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512262123 1004163445 /nfs/dbraw/zinc/16/34/45/1004163445.db2.gz RSSPAPMENUGXQE-KSSFIOAISA-N 1 2 415.481 3.799 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512262123 1004163451 /nfs/dbraw/zinc/16/34/51/1004163451.db2.gz RSSPAPMENUGXQE-KSSFIOAISA-N 1 2 415.481 3.799 20 30 HHEDLO N#Cc1ccc(CN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000512428386 1004294917 /nfs/dbraw/zinc/29/49/17/1004294917.db2.gz SUDLFLCXVZACJM-UHFFFAOYSA-N 1 2 413.481 3.588 20 30 HHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000512506551 1004348537 /nfs/dbraw/zinc/34/85/37/1004348537.db2.gz NDWDZHAIWZPRIQ-QGZVFWFLSA-N 1 2 400.523 3.887 20 30 HHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000512506551 1004348545 /nfs/dbraw/zinc/34/85/45/1004348545.db2.gz NDWDZHAIWZPRIQ-QGZVFWFLSA-N 1 2 400.523 3.887 20 30 HHEDLO COc1cc(C(=O)N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)ccc1C ZINC000510394830 1004533399 /nfs/dbraw/zinc/53/33/99/1004533399.db2.gz LMOJQJFVVWARBO-UHFFFAOYSA-N 1 2 407.514 3.644 20 30 HHEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000501860368 1004782374 /nfs/dbraw/zinc/78/23/74/1004782374.db2.gz QIMPKVKXASDNCL-AXHZCLLHSA-N 1 2 418.541 3.791 20 30 HHEDLO C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000501860374 1004782509 /nfs/dbraw/zinc/78/25/09/1004782509.db2.gz QIMPKVKXASDNCL-JXQFQVJHSA-N 1 2 418.541 3.791 20 30 HHEDLO CCN(C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000513329560 1004914709 /nfs/dbraw/zinc/91/47/09/1004914709.db2.gz DTFSQDUVFXFCSV-KRWDZBQOSA-N 1 2 407.514 3.543 20 30 HHEDLO CCN(C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000513329560 1004914713 /nfs/dbraw/zinc/91/47/13/1004914713.db2.gz DTFSQDUVFXFCSV-KRWDZBQOSA-N 1 2 407.514 3.543 20 30 HHEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000502144941 1004922103 /nfs/dbraw/zinc/92/21/03/1004922103.db2.gz ODAQYNCQRMQWSU-SFHVURJKSA-N 1 2 407.518 3.547 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513406762 1004949012 /nfs/dbraw/zinc/94/90/12/1004949012.db2.gz XEXWJNRJCHVIKJ-OAHLLOKOSA-N 1 2 412.534 3.787 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513406762 1004949017 /nfs/dbraw/zinc/94/90/17/1004949017.db2.gz XEXWJNRJCHVIKJ-OAHLLOKOSA-N 1 2 412.534 3.787 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000513617755 1005051825 /nfs/dbraw/zinc/05/18/25/1005051825.db2.gz YPRUWGSYRVPZQL-UHFFFAOYSA-N 1 2 406.505 3.889 20 30 HHEDLO N#C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513659549 1005070302 /nfs/dbraw/zinc/07/03/02/1005070302.db2.gz GEAGKTLLJKLPSD-IVZQSRNASA-N 1 2 404.857 3.840 20 30 HHEDLO N#C[C@@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513659549 1005070310 /nfs/dbraw/zinc/07/03/10/1005070310.db2.gz GEAGKTLLJKLPSD-IVZQSRNASA-N 1 2 404.857 3.840 20 30 HHEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502540050 1005109455 /nfs/dbraw/zinc/10/94/55/1005109455.db2.gz JMYWRZRBFSRBSD-KRWDZBQOSA-N 1 2 403.482 3.770 20 30 HHEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502540050 1005109457 /nfs/dbraw/zinc/10/94/57/1005109457.db2.gz JMYWRZRBFSRBSD-KRWDZBQOSA-N 1 2 403.482 3.770 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)c1 ZINC000513789873 1005128582 /nfs/dbraw/zinc/12/85/82/1005128582.db2.gz OODUIOPLSLIDFW-SFHVURJKSA-N 1 2 418.946 3.776 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)c1 ZINC000513789873 1005128585 /nfs/dbraw/zinc/12/85/85/1005128585.db2.gz OODUIOPLSLIDFW-SFHVURJKSA-N 1 2 418.946 3.776 20 30 HHEDLO Cc1cc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)nn1-c1cccc(C#N)c1 ZINC000503142630 1005356107 /nfs/dbraw/zinc/35/61/07/1005356107.db2.gz XGLDOZQHVRTOSB-SFHVURJKSA-N 1 2 415.497 3.698 20 30 HHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503428489 1005417211 /nfs/dbraw/zinc/41/72/11/1005417211.db2.gz OQFMAWHHWAXMTH-UHFFFAOYSA-N 1 2 418.950 3.534 20 30 HHEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000504227412 1005577637 /nfs/dbraw/zinc/57/76/37/1005577637.db2.gz WYNCVKUTMJEDSU-UUOWRZLLSA-N 1 2 403.526 3.903 20 30 HHEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000504227412 1005577640 /nfs/dbraw/zinc/57/76/40/1005577640.db2.gz WYNCVKUTMJEDSU-UUOWRZLLSA-N 1 2 403.526 3.903 20 30 HHEDLO N#Cc1c(NC(=O)CCN2CC[NH+](Cc3ccco3)CC2)sc2c1CCCCC2 ZINC000514716726 1006091017 /nfs/dbraw/zinc/09/10/17/1006091017.db2.gz BJWRAMXXHHIBKV-UHFFFAOYSA-N 1 2 412.559 3.628 20 30 HHEDLO N#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000531353115 1006143406 /nfs/dbraw/zinc/14/34/06/1006143406.db2.gz PFNZJKFNRZTTAR-GOSISDBHSA-N 1 2 400.360 3.825 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccccc3OC3CCCC3)CC2)cc1 ZINC000515784623 1006669811 /nfs/dbraw/zinc/66/98/11/1006669811.db2.gz ZRNGMICHCSLENN-UHFFFAOYSA-N 1 2 418.541 3.907 20 30 HHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664251 1006943448 /nfs/dbraw/zinc/94/34/48/1006943448.db2.gz OIMJRYRUIYGMFK-QFBILLFUSA-N 1 2 406.534 3.931 20 30 HHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000538664251 1006943457 /nfs/dbraw/zinc/94/34/57/1006943457.db2.gz OIMJRYRUIYGMFK-QFBILLFUSA-N 1 2 406.534 3.931 20 30 HHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000532556836 1006989819 /nfs/dbraw/zinc/98/98/19/1006989819.db2.gz LPHAPUFMGXIEMC-UHFFFAOYSA-N 1 2 419.403 3.939 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000532572446 1007004482 /nfs/dbraw/zinc/00/44/82/1007004482.db2.gz DJAKAFZTMJTIII-UHFFFAOYSA-N 1 2 409.555 3.964 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OCc1ccccc1 ZINC000516444257 1007084492 /nfs/dbraw/zinc/08/44/92/1007084492.db2.gz SWBFJDJPYLESHY-UHFFFAOYSA-N 1 2 414.509 3.863 20 30 HHEDLO C=CC[N@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(OC)cc1 ZINC000532925324 1007297475 /nfs/dbraw/zinc/29/74/75/1007297475.db2.gz UYWRBCRFNPGFGR-UHFFFAOYSA-N 1 2 418.541 3.802 20 30 HHEDLO C=CC[N@@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(OC)cc1 ZINC000532925324 1007297481 /nfs/dbraw/zinc/29/74/81/1007297481.db2.gz UYWRBCRFNPGFGR-UHFFFAOYSA-N 1 2 418.541 3.802 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532963912 1007330953 /nfs/dbraw/zinc/33/09/53/1007330953.db2.gz XOCNCQJTQVGGHD-CTTRRDQISA-N 1 2 420.532 3.792 20 30 HHEDLO Cc1noc(C)c1C[NH+](CCC(=O)Nc1ccc(C#N)cc1)Cc1c(C)noc1C ZINC000532980839 1007352639 /nfs/dbraw/zinc/35/26/39/1007352639.db2.gz SMUQYVWXTVOOLV-UHFFFAOYSA-N 1 2 407.474 3.799 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000533026023 1007386746 /nfs/dbraw/zinc/38/67/46/1007386746.db2.gz RKSFGVVYNCHDTG-OAQYLSRUSA-N 1 2 403.486 3.789 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000533026023 1007386759 /nfs/dbraw/zinc/38/67/59/1007386759.db2.gz RKSFGVVYNCHDTG-OAQYLSRUSA-N 1 2 403.486 3.789 20 30 HHEDLO COc1cc(C)[nH+]c(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)c1 ZINC000536011583 1008053602 /nfs/dbraw/zinc/05/36/02/1008053602.db2.gz QZPJKKFBRPZVJP-UHFFFAOYSA-N 1 2 405.483 3.792 20 30 HHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000539881538 1008158920 /nfs/dbraw/zinc/15/89/20/1008158920.db2.gz GWVSUBXZHLHDGA-OAHLLOKOSA-N 1 2 400.885 3.668 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000540339732 1008387956 /nfs/dbraw/zinc/38/79/56/1008387956.db2.gz XIBANDXXWJEFHT-IRXDYDNUSA-N 1 2 424.574 3.825 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000540339732 1008387959 /nfs/dbraw/zinc/38/79/59/1008387959.db2.gz XIBANDXXWJEFHT-IRXDYDNUSA-N 1 2 424.574 3.825 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542964757 1008537856 /nfs/dbraw/zinc/53/78/56/1008537856.db2.gz CIVJRQIRSKONIM-UYAOXDASSA-N 1 2 402.420 3.610 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542964757 1008537870 /nfs/dbraw/zinc/53/78/70/1008537870.db2.gz CIVJRQIRSKONIM-UYAOXDASSA-N 1 2 402.420 3.610 20 30 HHEDLO N#Cc1cccc(COc2ccc(NC(=O)NCc3ccc(N)[nH+]c3)cc2Cl)c1 ZINC000549244487 1008815674 /nfs/dbraw/zinc/81/56/74/1008815674.db2.gz YEAVMWQTAFZSGG-UHFFFAOYSA-N 1 2 407.861 4.090 20 30 HHEDLO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549292240 1008864524 /nfs/dbraw/zinc/86/45/24/1008864524.db2.gz UXOAPWLOXYOYPN-UHFFFAOYSA-N 1 2 424.936 3.808 20 30 HHEDLO Cc1cc(C#N)ccc1-c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000545801320 1008889427 /nfs/dbraw/zinc/88/94/27/1008889427.db2.gz JCLQPZQBZGXMIG-UHFFFAOYSA-N 1 2 423.480 3.700 20 30 HHEDLO C[C@H]1CO[C@H](c2noc(C3(c4cccc(C#N)c4)CC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000545812897 1008899351 /nfs/dbraw/zinc/89/93/51/1008899351.db2.gz DVAQRIXLTOIJLR-UWJYYQICSA-N 1 2 400.482 3.983 20 30 HHEDLO C[C@H]1CO[C@H](c2noc(C3(c4cccc(C#N)c4)CC3)n2)C[N@H+]1Cc1ccccc1 ZINC000545812897 1008899370 /nfs/dbraw/zinc/89/93/70/1008899370.db2.gz DVAQRIXLTOIJLR-UWJYYQICSA-N 1 2 400.482 3.983 20 30 HHEDLO C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000549326140 1008905224 /nfs/dbraw/zinc/90/52/24/1008905224.db2.gz IKHVWRIPQBQUOQ-UHFFFAOYSA-N 1 2 421.998 3.568 20 30 HHEDLO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000549330687 1008909570 /nfs/dbraw/zinc/90/95/70/1008909570.db2.gz ZDPOLJAHROOWII-LJQANCHMSA-N 1 2 403.526 3.845 20 30 HHEDLO COc1cccc([C@H]2[C@H](NCc3nnc(-c4ccc(C#N)cc4)o3)CC[N@@H+]2C2CC2)c1 ZINC000549478078 1009075920 /nfs/dbraw/zinc/07/59/20/1009075920.db2.gz PAHVRRXMPSRVIJ-GGAORHGYSA-N 1 2 415.497 3.684 20 30 HHEDLO COc1cccc([C@H]2[C@H](NCc3nnc(-c4ccc(C#N)cc4)o3)CC[N@H+]2C2CC2)c1 ZINC000549478078 1009075935 /nfs/dbraw/zinc/07/59/35/1009075935.db2.gz PAHVRRXMPSRVIJ-GGAORHGYSA-N 1 2 415.497 3.684 20 30 HHEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546074171 1009096703 /nfs/dbraw/zinc/09/67/03/1009096703.db2.gz NYSQQICVBBLQEX-ROUUACIJSA-N 1 2 413.946 3.618 20 30 HHEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546074171 1009096719 /nfs/dbraw/zinc/09/67/19/1009096719.db2.gz NYSQQICVBBLQEX-ROUUACIJSA-N 1 2 413.946 3.618 20 30 HHEDLO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nc(C(C)(C)C)no1 ZINC000543537892 1009129719 /nfs/dbraw/zinc/12/97/19/1009129719.db2.gz QXJDSJLMIWLSDM-GFCCVEGCSA-N 1 2 401.536 3.858 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543541566 1009133691 /nfs/dbraw/zinc/13/36/91/1009133691.db2.gz DERVNBVFHAVKNW-KGLIPLIRSA-N 1 2 419.323 3.739 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196124 1009335615 /nfs/dbraw/zinc/33/56/15/1009335615.db2.gz YICSSOKRUIOJIO-KRWDZBQOSA-N 1 2 401.474 3.770 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520196124 1009335628 /nfs/dbraw/zinc/33/56/28/1009335628.db2.gz YICSSOKRUIOJIO-KRWDZBQOSA-N 1 2 401.474 3.770 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543880871 1009454536 /nfs/dbraw/zinc/45/45/36/1009454536.db2.gz XFLTXIHKKXMWCM-UYAOXDASSA-N 1 2 402.420 3.610 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543880871 1009454542 /nfs/dbraw/zinc/45/45/42/1009454542.db2.gz XFLTXIHKKXMWCM-UYAOXDASSA-N 1 2 402.420 3.610 20 30 HHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000521251044 1010256269 /nfs/dbraw/zinc/25/62/69/1010256269.db2.gz NIMQBFRMUOEDDB-UHFFFAOYSA-N 1 2 404.445 3.995 20 30 HHEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(Br)cc1 ZINC000551425443 1010579790 /nfs/dbraw/zinc/57/97/90/1010579790.db2.gz IWYUUYXTNVBNIA-AWEZNQCLSA-N 1 2 423.380 3.706 20 30 HHEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(Br)cc1 ZINC000551425443 1010579801 /nfs/dbraw/zinc/57/98/01/1010579801.db2.gz IWYUUYXTNVBNIA-AWEZNQCLSA-N 1 2 423.380 3.706 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000548859465 1010746603 /nfs/dbraw/zinc/74/66/03/1010746603.db2.gz IBVJXJULUAIYOB-UHFFFAOYSA-N 1 2 400.276 3.630 20 30 HHEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551712340 1010755965 /nfs/dbraw/zinc/75/59/65/1010755965.db2.gz DNFLDPSTXXMJFQ-INIZCTEOSA-N 1 2 407.358 3.964 20 30 HHEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551712340 1010755974 /nfs/dbraw/zinc/75/59/74/1010755974.db2.gz DNFLDPSTXXMJFQ-INIZCTEOSA-N 1 2 407.358 3.964 20 30 HHEDLO Cc1[nH]c2c(cc(C)cc2CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000522804750 1011237575 /nfs/dbraw/zinc/23/75/75/1011237575.db2.gz QCKOXRRNGPYOBZ-UHFFFAOYSA-N 1 2 415.541 3.992 20 30 HHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000536733589 1011908156 /nfs/dbraw/zinc/90/81/56/1011908156.db2.gz DNYFEOQVXPCJCJ-VQTJNVASSA-N 1 2 408.521 3.840 20 30 HHEDLO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000552191691 1012203997 /nfs/dbraw/zinc/20/39/97/1012203997.db2.gz OOPQMTLAOFFYCI-MBSDFSHPSA-N 1 2 402.546 3.642 20 30 HHEDLO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000552191691 1012204008 /nfs/dbraw/zinc/20/40/08/1012204008.db2.gz OOPQMTLAOFFYCI-MBSDFSHPSA-N 1 2 402.546 3.642 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(OC)c1 ZINC000552343625 1012355492 /nfs/dbraw/zinc/35/54/92/1012355492.db2.gz HXXUWBPEQVOVJW-SFHVURJKSA-N 1 2 412.505 3.847 20 30 HHEDLO Cc1nc(NCc2cccc(C(=O)Nc3ncccc3OCCCC#N)c2)cc[nH+]1 ZINC000541664671 1012494541 /nfs/dbraw/zinc/49/45/41/1012494541.db2.gz BANLJSAABPJMFR-UHFFFAOYSA-N 1 2 402.458 3.727 20 30 HHEDLO COCCOc1ccc(C#N)cc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541754344 1012614015 /nfs/dbraw/zinc/61/40/15/1012614015.db2.gz OFUSLCJNLZLPOL-UHFFFAOYSA-N 1 2 417.469 3.546 20 30 HHEDLO NC(=[NH+]OCc1ccn(-c2cccc(F)c2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000729673960 1071789959 /nfs/dbraw/zinc/78/99/59/1071789959.db2.gz CYTRKWJEEBOJIY-UHFFFAOYSA-N 1 2 417.444 3.823 20 30 HHEDLO N#Cc1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cnc1C(F)(F)F ZINC000904496879 1071792734 /nfs/dbraw/zinc/79/27/34/1071792734.db2.gz DJXFVBQIJJYYKJ-UHFFFAOYSA-N 1 2 415.375 3.521 20 30 HHEDLO CCOc1ccc(C[NH+]2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000590614985 1073942126 /nfs/dbraw/zinc/94/21/26/1073942126.db2.gz XAKSKCQENKDARN-OAQYLSRUSA-N 1 2 420.557 3.538 20 30 HHEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC001670861290 1074082290 /nfs/dbraw/zinc/08/22/90/1074082290.db2.gz XGPXYXRBYOHRBO-SFHVURJKSA-N 1 2 419.497 3.560 20 30 HHEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001670861290 1074082294 /nfs/dbraw/zinc/08/22/94/1074082294.db2.gz XGPXYXRBYOHRBO-SFHVURJKSA-N 1 2 419.497 3.560 20 30 HHEDLO C[NH+]1CCN(C(=O)c2ccnc(NC3=C(c4ccccc4)C(=O)c4ccccc43)c2)CC1 ZINC001168402265 1075155861 /nfs/dbraw/zinc/15/58/61/1075155861.db2.gz CXPOYPGBBVWTLE-UHFFFAOYSA-N 1 2 424.504 3.646 20 30 HHEDLO N#Cc1cccc([C@@H]2CN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CCO2)c1 ZINC000761218295 1075640888 /nfs/dbraw/zinc/64/08/88/1075640888.db2.gz DIQGHIFLMOCEEH-IBGZPJMESA-N 1 2 411.531 3.606 20 30 HHEDLO N#Cc1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164665738 719493528 /nfs/dbraw/zinc/49/35/28/719493528.db2.gz BFOUDYSGQNJXIO-UHFFFAOYSA-N 1 2 418.875 3.756 20 30 HHEDLO N#Cc1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164665738 719493533 /nfs/dbraw/zinc/49/35/33/719493533.db2.gz BFOUDYSGQNJXIO-UHFFFAOYSA-N 1 2 418.875 3.756 20 30 HHEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000301283835 970849062 /nfs/dbraw/zinc/84/90/62/970849062.db2.gz LBUXUZLERPKOQN-UHFFFAOYSA-N 1 2 410.827 3.826 20 30 HHEDLO N#Cc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301344261 970879067 /nfs/dbraw/zinc/87/90/67/970879067.db2.gz JVMCBDVKZHAJKZ-NRFANRHFSA-N 1 2 403.442 3.500 20 30 HHEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000301365344 970889206 /nfs/dbraw/zinc/88/92/06/970889206.db2.gz NIBIAXQRTJYLTQ-UHFFFAOYSA-N 1 2 420.488 3.877 20 30 HHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000553107560 1013071522 /nfs/dbraw/zinc/07/15/22/1013071522.db2.gz YOBCUEFQNNVWNL-UHFFFAOYSA-N 1 2 408.462 3.776 20 30 HHEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000303353229 971652208 /nfs/dbraw/zinc/65/22/08/971652208.db2.gz YWFGILYNGVTMHK-CQSZACIVSA-N 1 2 409.477 3.939 20 30 HHEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)s1 ZINC000303353229 971652213 /nfs/dbraw/zinc/65/22/13/971652213.db2.gz YWFGILYNGVTMHK-CQSZACIVSA-N 1 2 409.477 3.939 20 30 HHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000303576475 971868505 /nfs/dbraw/zinc/86/85/05/971868505.db2.gz JSQKDOIOZIMEIN-OAHLLOKOSA-N 1 2 424.888 3.978 20 30 HHEDLO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000303684982 971961318 /nfs/dbraw/zinc/96/13/18/971961318.db2.gz LFWBJNMOCYQEQY-HXUWFJFHSA-N 1 2 418.484 3.963 20 30 HHEDLO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000303684982 971961321 /nfs/dbraw/zinc/96/13/21/971961321.db2.gz LFWBJNMOCYQEQY-HXUWFJFHSA-N 1 2 418.484 3.963 20 30 HHEDLO N#Cc1ccc(OC2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)c(F)c1 ZINC000553206619 1013168306 /nfs/dbraw/zinc/16/83/06/1013168306.db2.gz SCNYUGYZLOCLRO-UHFFFAOYSA-N 1 2 404.445 3.626 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008004354 961396212 /nfs/dbraw/zinc/39/62/12/961396212.db2.gz XLONFHIZXHITST-UHFFFAOYSA-N 1 2 408.527 3.591 20 30 HHEDLO C=CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000553317496 1013268159 /nfs/dbraw/zinc/26/81/59/1013268159.db2.gz WRZYYRFFZBQGPA-CQSZACIVSA-N 1 2 421.892 3.714 20 30 HHEDLO C=CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000553317496 1013268174 /nfs/dbraw/zinc/26/81/74/1013268174.db2.gz WRZYYRFFZBQGPA-CQSZACIVSA-N 1 2 421.892 3.714 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)CC2)cc1 ZINC000017843713 963234453 /nfs/dbraw/zinc/23/44/53/963234453.db2.gz OYMZVMKGGNLIPC-UHFFFAOYSA-N 1 2 421.501 3.504 20 30 HHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021848366 963548537 /nfs/dbraw/zinc/54/85/37/963548537.db2.gz KGAUSYCMILCCGO-MRXNPFEDSA-N 1 2 408.468 3.559 20 30 HHEDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)sc2C1 ZINC000023609784 963860407 /nfs/dbraw/zinc/86/04/07/963860407.db2.gz LRBUCGMFRWOMTJ-UHFFFAOYSA-N 1 2 414.918 3.631 20 30 HHEDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)sc2C1 ZINC000023609784 963860412 /nfs/dbraw/zinc/86/04/12/963860412.db2.gz LRBUCGMFRWOMTJ-UHFFFAOYSA-N 1 2 414.918 3.631 20 30 HHEDLO N#CCSCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000024774183 964070523 /nfs/dbraw/zinc/07/05/23/964070523.db2.gz KZLHMUGLWLDNIL-UHFFFAOYSA-N 1 2 405.976 3.969 20 30 HHEDLO CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000026329754 964526570 /nfs/dbraw/zinc/52/65/70/964526570.db2.gz XPMIJHDWQUUDHP-UHFFFAOYSA-N 1 2 404.392 3.606 20 30 HHEDLO CC(=O)Nc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000026329754 964526576 /nfs/dbraw/zinc/52/65/76/964526576.db2.gz XPMIJHDWQUUDHP-UHFFFAOYSA-N 1 2 404.392 3.606 20 30 HHEDLO C=CC[N@@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)Cc1cccs1 ZINC000029067203 965253838 /nfs/dbraw/zinc/25/38/38/965253838.db2.gz CLHMOZVUASGOBF-UHFFFAOYSA-N 1 2 408.571 3.914 20 30 HHEDLO C=CC[N@H+](CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)Cc1cccs1 ZINC000029067203 965253851 /nfs/dbraw/zinc/25/38/51/965253851.db2.gz CLHMOZVUASGOBF-UHFFFAOYSA-N 1 2 408.571 3.914 20 30 HHEDLO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1cccc(F)c1 ZINC000029696611 965463057 /nfs/dbraw/zinc/46/30/57/965463057.db2.gz MOVYVPQBYBLHJL-IBGZPJMESA-N 1 2 424.520 3.627 20 30 HHEDLO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1cccc(F)c1 ZINC000029696611 965463060 /nfs/dbraw/zinc/46/30/60/965463060.db2.gz MOVYVPQBYBLHJL-IBGZPJMESA-N 1 2 424.520 3.627 20 30 HHEDLO COc1ccc([C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000054974761 965715880 /nfs/dbraw/zinc/71/58/80/965715880.db2.gz MYXUZVGLHBDRTE-HSZRJFAPSA-N 1 2 404.514 3.545 20 30 HHEDLO CN(C(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)C1(C#N)CCCCC1 ZINC000060483301 966165779 /nfs/dbraw/zinc/16/57/79/966165779.db2.gz PLCYFCXGZBWBHP-UHFFFAOYSA-N 1 2 401.938 3.920 20 30 HHEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000036507666 966431734 /nfs/dbraw/zinc/43/17/34/966431734.db2.gz LPZWGKLUNUQVEI-DQEYMECFSA-N 1 2 421.541 3.706 20 30 HHEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000036507666 966431740 /nfs/dbraw/zinc/43/17/40/966431740.db2.gz LPZWGKLUNUQVEI-DQEYMECFSA-N 1 2 421.541 3.706 20 30 HHEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000038398548 966481126 /nfs/dbraw/zinc/48/11/26/966481126.db2.gz MUSYBBIKBPTPDJ-UHFFFAOYSA-N 1 2 415.518 3.635 20 30 HHEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC000041556115 966594040 /nfs/dbraw/zinc/59/40/40/966594040.db2.gz VYGZJKGGRULXJE-ZDUSSCGKSA-N 1 2 401.304 3.684 20 30 HHEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+](Cc2cccs2)Cc2cccs2)CC1 ZINC000538095142 1013666236 /nfs/dbraw/zinc/66/62/36/1013666236.db2.gz FAPBYMFEVOJHDI-FQEVSTJZSA-N 1 2 416.616 3.504 20 30 HHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000043862908 967057758 /nfs/dbraw/zinc/05/77/58/967057758.db2.gz JLHUCYFKJZNTIC-UHFFFAOYSA-N 1 2 406.530 3.512 20 30 HHEDLO N#Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1OCC(F)(F)F ZINC000045778222 967550505 /nfs/dbraw/zinc/55/05/05/967550505.db2.gz JQWWTTCNQHYVML-UHFFFAOYSA-N 1 2 400.360 3.996 20 30 HHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCc1cccc(C#N)c1 ZINC000046040806 967645745 /nfs/dbraw/zinc/64/57/45/967645745.db2.gz PUCSIHHKIAYYEL-UHFFFAOYSA-N 1 2 417.513 3.956 20 30 HHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000096971215 969068544 /nfs/dbraw/zinc/06/85/44/969068544.db2.gz HOAVPZVIFZBUSH-FQEVSTJZSA-N 1 2 406.530 3.981 20 30 HHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000096971215 969068550 /nfs/dbraw/zinc/06/85/50/969068550.db2.gz HOAVPZVIFZBUSH-FQEVSTJZSA-N 1 2 406.530 3.981 20 30 HHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000097413854 969134610 /nfs/dbraw/zinc/13/46/10/969134610.db2.gz MZULOWUJGJECJX-UHFFFAOYSA-N 1 2 416.447 3.942 20 30 HHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000108979614 969443830 /nfs/dbraw/zinc/44/38/30/969443830.db2.gz UUYUQIKSZMAWRE-HMAPJEAMSA-N 1 2 423.582 3.823 20 30 HHEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000112622658 969818349 /nfs/dbraw/zinc/81/83/49/969818349.db2.gz CRMBPAAVEMKJOH-QFIPXVFZSA-N 1 2 424.545 3.704 20 30 HHEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)cc1 ZINC000112622658 969818357 /nfs/dbraw/zinc/81/83/57/969818357.db2.gz CRMBPAAVEMKJOH-QFIPXVFZSA-N 1 2 424.545 3.704 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000206997714 970010942 /nfs/dbraw/zinc/01/09/42/970010942.db2.gz VYEFNKDZLXPNLY-UITAMQMPSA-N 1 2 419.525 3.583 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)c(C#N)c1C ZINC000554829458 1014064666 /nfs/dbraw/zinc/06/46/66/1014064666.db2.gz MURVNBCCDPTODY-HNNXBMFYSA-N 1 2 410.493 3.761 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1 ZINC000426211616 974315953 /nfs/dbraw/zinc/31/59/53/974315953.db2.gz CVPBFWIWAYAQJW-FDDCHVKYSA-N 1 2 406.530 3.696 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CCO1 ZINC000426211616 974315963 /nfs/dbraw/zinc/31/59/63/974315963.db2.gz CVPBFWIWAYAQJW-FDDCHVKYSA-N 1 2 406.530 3.696 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)nc1 ZINC000428800493 976078425 /nfs/dbraw/zinc/07/84/25/976078425.db2.gz CYZVNQXRKRLPHT-QFIPXVFZSA-N 1 2 414.465 3.837 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C2)nc1 ZINC000428800493 976078438 /nfs/dbraw/zinc/07/84/38/976078438.db2.gz CYZVNQXRKRLPHT-QFIPXVFZSA-N 1 2 414.465 3.837 20 30 HHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCn3c(nnc3C3CCCC3)C1)CCCC2 ZINC000428856306 976145182 /nfs/dbraw/zinc/14/51/82/976145182.db2.gz MCYDVZQBLQDRNL-UHFFFAOYSA-N 1 2 424.574 3.592 20 30 HHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCn3c(nnc3C3CCCC3)C1)CCCC2 ZINC000428856306 976145186 /nfs/dbraw/zinc/14/51/86/976145186.db2.gz MCYDVZQBLQDRNL-UHFFFAOYSA-N 1 2 424.574 3.592 20 30 HHEDLO N#CCCn1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1-c1ccccc1 ZINC000428920891 976221458 /nfs/dbraw/zinc/22/14/58/976221458.db2.gz JMTLKBFKAJBUJL-UHFFFAOYSA-N 1 2 414.444 3.719 20 30 HHEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428930808 976232014 /nfs/dbraw/zinc/23/20/14/976232014.db2.gz NDFBVHCYYGAJAP-MFMILTCTSA-N 1 2 420.431 3.779 20 30 HHEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428930808 976232021 /nfs/dbraw/zinc/23/20/21/976232021.db2.gz NDFBVHCYYGAJAP-MFMILTCTSA-N 1 2 420.431 3.779 20 30 HHEDLO CCCN(C(=O)c1cccs1)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000432024372 978651123 /nfs/dbraw/zinc/65/11/23/978651123.db2.gz KRLXBUYTMPDMOA-KRWDZBQOSA-N 1 2 424.570 3.964 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432963575 979026454 /nfs/dbraw/zinc/02/64/54/979026454.db2.gz XKSUSKACECFVFP-SFHVURJKSA-N 1 2 405.477 3.779 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432963575 979026456 /nfs/dbraw/zinc/02/64/56/979026456.db2.gz XKSUSKACECFVFP-SFHVURJKSA-N 1 2 405.477 3.779 20 30 HHEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)oc1C ZINC000433193140 979132777 /nfs/dbraw/zinc/13/27/77/979132777.db2.gz OZLVNKNZBXRYJO-KUHUBIRLSA-N 1 2 401.894 3.972 20 30 HHEDLO COc1cc(C[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)c(SC)cc1OC ZINC000435045788 980593820 /nfs/dbraw/zinc/59/38/20/980593820.db2.gz XXQDCKGUHLQKLX-HNNXBMFYSA-N 1 2 417.556 3.596 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)c(SC)cc1OC ZINC000435045788 980593822 /nfs/dbraw/zinc/59/38/22/980593822.db2.gz XXQDCKGUHLQKLX-HNNXBMFYSA-N 1 2 417.556 3.596 20 30 HHEDLO N#CCCn1cc(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)c(-c2ccncc2)n1 ZINC000435130678 980661156 /nfs/dbraw/zinc/66/11/56/980661156.db2.gz UGJYFFAQWLCWJF-UHFFFAOYSA-N 1 2 424.911 3.973 20 30 HHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000436352863 981319437 /nfs/dbraw/zinc/31/94/37/981319437.db2.gz JVLURSAZEOYDPJ-RTBURBONSA-N 1 2 401.426 3.692 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c(OC(F)F)c1 ZINC000437599906 982222309 /nfs/dbraw/zinc/22/23/09/982222309.db2.gz HHNOLFARPIZCTI-UHFFFAOYSA-N 1 2 413.468 3.827 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c(OC(F)F)c1 ZINC000437599906 982222315 /nfs/dbraw/zinc/22/23/15/982222315.db2.gz HHNOLFARPIZCTI-UHFFFAOYSA-N 1 2 413.468 3.827 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000438046072 982548592 /nfs/dbraw/zinc/54/85/92/982548592.db2.gz BKLXVCZMJCUWQD-ROUUACIJSA-N 1 2 402.564 3.799 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000438069281 982569213 /nfs/dbraw/zinc/56/92/13/982569213.db2.gz BPCBFIZRNPPOKV-ROUUACIJSA-N 1 2 402.564 3.657 20 30 HHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000438069278 982569247 /nfs/dbraw/zinc/56/92/47/982569247.db2.gz BPCBFIZRNPPOKV-MSOLQXFVSA-N 1 2 402.564 3.657 20 30 HHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000438631630 982951229 /nfs/dbraw/zinc/95/12/29/982951229.db2.gz VRTVTBVMNCVOKW-CQSZACIVSA-N 1 2 403.408 3.883 20 30 HHEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC000438635095 982954915 /nfs/dbraw/zinc/95/49/15/982954915.db2.gz KLTRUFLMIOKAGK-SFHVURJKSA-N 1 2 418.419 3.600 20 30 HHEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC000438635095 982954917 /nfs/dbraw/zinc/95/49/17/982954917.db2.gz KLTRUFLMIOKAGK-SFHVURJKSA-N 1 2 418.419 3.600 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000439584197 983461256 /nfs/dbraw/zinc/46/12/56/983461256.db2.gz VUMWGXUSACGUPB-OALUTQOASA-N 1 2 408.468 3.754 20 30 HHEDLO CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc(C#N)c4ccccc4n3)CC2)cs1 ZINC000439602739 983467463 /nfs/dbraw/zinc/46/74/63/983467463.db2.gz SKVJIZGPSZYLQC-INIZCTEOSA-N 1 2 407.543 3.983 20 30 HHEDLO CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc(C#N)c4ccccc4n3)CC2)cs1 ZINC000439602739 983467465 /nfs/dbraw/zinc/46/74/65/983467465.db2.gz SKVJIZGPSZYLQC-INIZCTEOSA-N 1 2 407.543 3.983 20 30 HHEDLO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000439606721 983468827 /nfs/dbraw/zinc/46/88/27/983468827.db2.gz IUNPCWRKDOXGKK-UHFFFAOYSA-N 1 2 407.518 3.613 20 30 HHEDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC000441054163 984045389 /nfs/dbraw/zinc/04/53/89/984045389.db2.gz AINBOCLMNQKDKY-GOSISDBHSA-N 1 2 407.514 3.787 20 30 HHEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC000441054163 984045397 /nfs/dbraw/zinc/04/53/97/984045397.db2.gz AINBOCLMNQKDKY-GOSISDBHSA-N 1 2 407.514 3.787 20 30 HHEDLO COc1cccc(C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]2CCCO2)c1 ZINC000441235281 984130639 /nfs/dbraw/zinc/13/06/39/984130639.db2.gz SBMUXXGBFOSEAQ-NRFANRHFSA-N 1 2 404.470 3.798 20 30 HHEDLO COc1cccc(C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]2CCCO2)c1 ZINC000441235281 984130643 /nfs/dbraw/zinc/13/06/43/984130643.db2.gz SBMUXXGBFOSEAQ-NRFANRHFSA-N 1 2 404.470 3.798 20 30 HHEDLO N#Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1OC(F)(F)F ZINC000442061375 984616934 /nfs/dbraw/zinc/61/69/34/984616934.db2.gz SXRBPKOVBVESJG-UHFFFAOYSA-N 1 2 405.380 3.774 20 30 HHEDLO CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442602370 985086028 /nfs/dbraw/zinc/08/60/28/985086028.db2.gz SCQRSWMDHWOYBS-UHFFFAOYSA-N 1 2 400.891 3.672 20 30 HHEDLO C=C(C)[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000443202574 985440998 /nfs/dbraw/zinc/44/09/98/985440998.db2.gz XOXFZICYMXCGAH-HXUWFJFHSA-N 1 2 403.454 3.805 20 30 HHEDLO C=CC[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000443607040 985786152 /nfs/dbraw/zinc/78/61/52/985786152.db2.gz URUSBLJVWOQIBS-MRXNPFEDSA-N 1 2 421.455 3.875 20 30 HHEDLO C=CC[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000443607040 985786162 /nfs/dbraw/zinc/78/61/62/985786162.db2.gz URUSBLJVWOQIBS-MRXNPFEDSA-N 1 2 421.455 3.875 20 30 HHEDLO C=CCNC(=O)c1ccc(N2CC[NH+]([C@@H](CC)c3ccc(F)cc3F)CC2)nc1 ZINC000462900480 985828470 /nfs/dbraw/zinc/82/84/70/985828470.db2.gz NACHAWGKDUBCGL-FQEVSTJZSA-N 1 2 400.473 3.549 20 30 HHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000443660315 985860003 /nfs/dbraw/zinc/86/00/03/985860003.db2.gz RBDQCZGDDWORHG-YOEHRIQHSA-N 1 2 410.474 3.885 20 30 HHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1=O ZINC000443660315 985860021 /nfs/dbraw/zinc/86/00/21/985860021.db2.gz RBDQCZGDDWORHG-YOEHRIQHSA-N 1 2 410.474 3.885 20 30 HHEDLO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468481353 986178859 /nfs/dbraw/zinc/17/88/59/986178859.db2.gz YSVDMSKUQMXVGN-LJQANCHMSA-N 1 2 416.319 3.790 20 30 HHEDLO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000468481353 986178862 /nfs/dbraw/zinc/17/88/62/986178862.db2.gz YSVDMSKUQMXVGN-LJQANCHMSA-N 1 2 416.319 3.790 20 30 HHEDLO Cc1noc(C)c1C[NH+](CCC(=O)Nc1cccc(C#N)c1)Cc1c(C)noc1C ZINC000444247910 986440927 /nfs/dbraw/zinc/44/09/27/986440927.db2.gz MEOSGICSTOGIRS-UHFFFAOYSA-N 1 2 407.474 3.799 20 30 HHEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000468751785 986465995 /nfs/dbraw/zinc/46/59/95/986465995.db2.gz ABAFRPUYJFRQDE-UHFFFAOYSA-N 1 2 416.525 3.912 20 30 HHEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000444594519 986781077 /nfs/dbraw/zinc/78/10/77/986781077.db2.gz KCYYMEHVCGWTRG-UHFFFAOYSA-N 1 2 417.497 3.732 20 30 HHEDLO C=CC[C@H]1N(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCC1(C)C ZINC000444876347 987029360 /nfs/dbraw/zinc/02/93/60/987029360.db2.gz AYMHOLYMWJGZCR-OAQYLSRUSA-N 1 2 412.578 3.866 20 30 HHEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@@H](CC)CN1C(C)=O ZINC000470205759 988129318 /nfs/dbraw/zinc/12/93/18/988129318.db2.gz GBCIHJFVBINHII-OALUTQOASA-N 1 2 418.969 3.616 20 30 HHEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@@H](CC)CN1C(C)=O ZINC000470205759 988129326 /nfs/dbraw/zinc/12/93/26/988129326.db2.gz GBCIHJFVBINHII-OALUTQOASA-N 1 2 418.969 3.616 20 30 HHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000470309133 988266795 /nfs/dbraw/zinc/26/67/95/988266795.db2.gz RBKFLKQMUXSMQD-NRFANRHFSA-N 1 2 400.482 3.891 20 30 HHEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCO1 ZINC000470432144 988398739 /nfs/dbraw/zinc/39/87/39/988398739.db2.gz CAAGOAYWFIPHOQ-LJQANCHMSA-N 1 2 413.905 3.845 20 30 HHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCO1 ZINC000470432144 988398756 /nfs/dbraw/zinc/39/87/56/988398756.db2.gz CAAGOAYWFIPHOQ-LJQANCHMSA-N 1 2 413.905 3.845 20 30 HHEDLO COc1ccc([C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c2ccccc2Cl)cc1 ZINC000470544872 988553322 /nfs/dbraw/zinc/55/33/22/988553322.db2.gz ACLPFCQAMPROTM-JOCHJYFZSA-N 1 2 410.905 3.684 20 30 HHEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000464727325 988945710 /nfs/dbraw/zinc/94/57/10/988945710.db2.gz VLHRYPRTFITVDZ-IIBYNOLFSA-N 1 2 403.461 3.905 20 30 HHEDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000464727325 988945717 /nfs/dbraw/zinc/94/57/17/988945717.db2.gz VLHRYPRTFITVDZ-IIBYNOLFSA-N 1 2 403.461 3.905 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)o2)cc1 ZINC000464772867 988996844 /nfs/dbraw/zinc/99/68/44/988996844.db2.gz HHIQTMLKNYRMDI-UHFFFAOYSA-N 1 2 405.414 3.560 20 30 HHEDLO C=CCSc1ccccc1NC(=O)CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000471180274 989310375 /nfs/dbraw/zinc/31/03/75/989310375.db2.gz BTZMQXIIECJEBI-UHFFFAOYSA-N 1 2 411.571 3.742 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H](C)c3cccc(-n4cc[nH+]c4)c3)C2)n1 ZINC000471430349 989608847 /nfs/dbraw/zinc/60/88/47/989608847.db2.gz CPEGDENRQZKDQK-RXVVDRJESA-N 1 2 414.513 3.541 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471999303 990167848 /nfs/dbraw/zinc/16/78/48/990167848.db2.gz SLWRVCQJRPOLPB-WMZOPIPTSA-N 1 2 404.877 3.546 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471999303 990167854 /nfs/dbraw/zinc/16/78/54/990167854.db2.gz SLWRVCQJRPOLPB-WMZOPIPTSA-N 1 2 404.877 3.546 20 30 HHEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1ccccc1Cl ZINC000466169907 991361733 /nfs/dbraw/zinc/36/17/33/991361733.db2.gz RXOATVIYKSMUGE-KRWDZBQOSA-N 1 2 412.921 3.506 20 30 HHEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Oc1ccc(Cl)cc1 ZINC000466374723 991654426 /nfs/dbraw/zinc/65/44/26/991654426.db2.gz UPARTFMYHJXFDI-QGZVFWFLSA-N 1 2 412.921 3.506 20 30 HHEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000472092633 993142395 /nfs/dbraw/zinc/14/23/95/993142395.db2.gz DICYBSDJEFFHLM-PZJWPPBQSA-N 1 2 424.907 3.814 20 30 HHEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000472092633 993142399 /nfs/dbraw/zinc/14/23/99/993142399.db2.gz DICYBSDJEFFHLM-PZJWPPBQSA-N 1 2 424.907 3.814 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472490668 993492319 /nfs/dbraw/zinc/49/23/19/993492319.db2.gz ZIETYSQXNKFZIJ-COPCDDAFSA-N 1 2 424.907 3.985 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472490668 993492325 /nfs/dbraw/zinc/49/23/25/993492325.db2.gz ZIETYSQXNKFZIJ-COPCDDAFSA-N 1 2 424.907 3.985 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472520276 993512284 /nfs/dbraw/zinc/51/22/84/993512284.db2.gz OPJGRKLVAJRGTI-JTHBVZDNSA-N 1 2 406.505 3.861 20 30 HHEDLO Cn1c(CC#N)nnc1Sc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000480822267 993698423 /nfs/dbraw/zinc/69/84/23/993698423.db2.gz PSYZQZQCERMXQH-UHFFFAOYSA-N 1 2 421.555 3.766 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)CC2)cc1 ZINC000474109967 995087167 /nfs/dbraw/zinc/08/71/67/995087167.db2.gz KIHDXSUYIYXVNU-UHFFFAOYSA-N 1 2 406.921 3.500 20 30 HHEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(Cl)cc3-n3cncn3)CC2)cc1 ZINC000474109967 995087175 /nfs/dbraw/zinc/08/71/75/995087175.db2.gz KIHDXSUYIYXVNU-UHFFFAOYSA-N 1 2 406.921 3.500 20 30 HHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483179764 996021320 /nfs/dbraw/zinc/02/13/20/996021320.db2.gz ISJDJWMXACTIQX-UHFFFAOYSA-N 1 2 404.470 3.917 20 30 HHEDLO N#Cc1ccc(C(F)(F)F)c(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000475353921 996085950 /nfs/dbraw/zinc/08/59/50/996085950.db2.gz GQHMJFMCLFMBOL-UHFFFAOYSA-N 1 2 405.420 3.900 20 30 HHEDLO CN(C(=O)C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C)C1(C#N)CCCCC1 ZINC000475358726 996088505 /nfs/dbraw/zinc/08/85/05/996088505.db2.gz RIYXTYVQCJTHDZ-UHFFFAOYSA-N 1 2 402.514 3.550 20 30 HHEDLO CN(C(=O)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C)C1(C#N)CCCCC1 ZINC000475358726 996088511 /nfs/dbraw/zinc/08/85/11/996088511.db2.gz RIYXTYVQCJTHDZ-UHFFFAOYSA-N 1 2 402.514 3.550 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000475456438 996152185 /nfs/dbraw/zinc/15/21/85/996152185.db2.gz CWTZSFGRARRYBR-MRXNPFEDSA-N 1 2 419.229 3.767 20 30 HHEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccc(Br)cc2)no1 ZINC000483639437 996302551 /nfs/dbraw/zinc/30/25/51/996302551.db2.gz UTRILANKHKKTSF-GFCCVEGCSA-N 1 2 423.274 3.869 20 30 HHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000476267525 996718406 /nfs/dbraw/zinc/71/84/06/996718406.db2.gz VAKZANVCRVFEAL-UHFFFAOYSA-N 1 2 407.342 3.810 20 30 HHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485317249 997728227 /nfs/dbraw/zinc/72/82/27/997728227.db2.gz JQNBUKAGVHGZSS-QGZVFWFLSA-N 1 2 414.469 3.601 20 30 HHEDLO N#CC1(CS(=O)(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000477593243 998309936 /nfs/dbraw/zinc/30/99/36/998309936.db2.gz SDGAYJJPKGPEEN-UHFFFAOYSA-N 1 2 416.374 3.571 20 30 HHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2ncsc2c1 ZINC000486256374 998679922 /nfs/dbraw/zinc/67/99/22/998679922.db2.gz LIKWGCNYPLYJHU-MRXNPFEDSA-N 1 2 405.527 3.756 20 30 HHEDLO COc1ccccc1C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000478397392 998936624 /nfs/dbraw/zinc/93/66/24/998936624.db2.gz MATNWCDFHIIYDU-QHCPKHFHSA-N 1 2 420.557 3.661 20 30 HHEDLO C=CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000487396089 999159965 /nfs/dbraw/zinc/15/99/65/999159965.db2.gz QWFVTMXRIQWVDF-AWEZNQCLSA-N 1 2 423.427 3.740 20 30 HHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000487396089 999159969 /nfs/dbraw/zinc/15/99/69/999159969.db2.gz QWFVTMXRIQWVDF-AWEZNQCLSA-N 1 2 423.427 3.740 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCO1 ZINC000488375224 999463727 /nfs/dbraw/zinc/46/37/27/999463727.db2.gz BHIDUUUNTOIULB-IBGZPJMESA-N 1 2 408.502 3.891 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)CCO1 ZINC000488375224 999463731 /nfs/dbraw/zinc/46/37/31/999463731.db2.gz BHIDUUUNTOIULB-IBGZPJMESA-N 1 2 408.502 3.891 20 30 HHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 ZINC000488375484 999464125 /nfs/dbraw/zinc/46/41/25/999464125.db2.gz RBZSDSVXMFRLIF-NRFANRHFSA-N 1 2 422.529 3.564 20 30 HHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CCO1 ZINC000488375484 999464129 /nfs/dbraw/zinc/46/41/29/999464129.db2.gz RBZSDSVXMFRLIF-NRFANRHFSA-N 1 2 422.529 3.564 20 30 HHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)no1 ZINC000480217644 999747940 /nfs/dbraw/zinc/74/79/40/999747940.db2.gz BXJOKYVLLCASHN-LJQANCHMSA-N 1 2 408.550 3.750 20 30 HHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)no1 ZINC000480217644 999747944 /nfs/dbraw/zinc/74/79/44/999747944.db2.gz BXJOKYVLLCASHN-LJQANCHMSA-N 1 2 408.550 3.750 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(Br)c1 ZINC000480681561 999857682 /nfs/dbraw/zinc/85/76/82/999857682.db2.gz QHAMKIDZELIQEZ-UHFFFAOYSA-N 1 2 404.352 3.935 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(Br)c1 ZINC000480681561 999857685 /nfs/dbraw/zinc/85/76/85/999857685.db2.gz QHAMKIDZELIQEZ-UHFFFAOYSA-N 1 2 404.352 3.935 20 30 HHEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491141215 1000049533 /nfs/dbraw/zinc/04/95/33/1000049533.db2.gz USQLIRADVHMADJ-UHFFFAOYSA-N 1 2 419.916 3.570 20 30 HHEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491193620 1000053824 /nfs/dbraw/zinc/05/38/24/1000053824.db2.gz BSWLEUMDOQFBKF-UHFFFAOYSA-N 1 2 423.904 3.691 20 30 HHEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491193620 1000053826 /nfs/dbraw/zinc/05/38/26/1000053826.db2.gz BSWLEUMDOQFBKF-UHFFFAOYSA-N 1 2 423.904 3.691 20 30 HHEDLO N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000491872542 1000098715 /nfs/dbraw/zinc/09/87/15/1000098715.db2.gz CMOAZUDQLZAXKU-UHFFFAOYSA-N 1 2 416.485 3.710 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494194872 1000355761 /nfs/dbraw/zinc/35/57/61/1000355761.db2.gz KPCUIZYSBFOIIA-OAQYLSRUSA-N 1 2 406.486 3.644 20 30 HHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494194872 1000355764 /nfs/dbraw/zinc/35/57/64/1000355764.db2.gz KPCUIZYSBFOIIA-OAQYLSRUSA-N 1 2 406.486 3.644 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000494949040 1000747863 /nfs/dbraw/zinc/74/78/63/1000747863.db2.gz LETRMJONGQFQQL-SLQAJWMNSA-N 1 2 411.571 3.808 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c1 ZINC000494949040 1000747870 /nfs/dbraw/zinc/74/78/70/1000747870.db2.gz LETRMJONGQFQQL-SLQAJWMNSA-N 1 2 411.571 3.808 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)o1 ZINC000505498711 1000837664 /nfs/dbraw/zinc/83/76/64/1000837664.db2.gz MYLNFKKJDXXTKA-HXUWFJFHSA-N 1 2 405.429 3.656 20 30 HHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000505580122 1000918845 /nfs/dbraw/zinc/91/88/45/1000918845.db2.gz WHKNXFYGJNYDBI-OAQYLSRUSA-N 1 2 402.429 3.671 20 30 HHEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000505907694 1001093607 /nfs/dbraw/zinc/09/36/07/1001093607.db2.gz PNSJNIFZVXTHPV-UHFFFAOYSA-N 1 2 404.363 3.630 20 30 HHEDLO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505933334 1001110268 /nfs/dbraw/zinc/11/02/68/1001110268.db2.gz HYPPOCPDBCPHLK-OALUTQOASA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505933334 1001110271 /nfs/dbraw/zinc/11/02/71/1001110271.db2.gz HYPPOCPDBCPHLK-OALUTQOASA-N 1 2 404.297 3.575 20 30 HHEDLO CC1(C#N)CC[NH+](CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)CC1 ZINC000506026583 1001172724 /nfs/dbraw/zinc/17/27/24/1001172724.db2.gz GSNOTVPALKNHAD-UHFFFAOYSA-N 1 2 413.909 3.507 20 30 HHEDLO CC(C)c1ccc(OCCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000506088309 1001213048 /nfs/dbraw/zinc/21/30/48/1001213048.db2.gz CXGONCIWAIPDBT-UHFFFAOYSA-N 1 2 406.530 3.588 20 30 HHEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000506245004 1001303896 /nfs/dbraw/zinc/30/38/96/1001303896.db2.gz HVGCKKBMPSEWQV-UHFFFAOYSA-N 1 2 420.948 3.791 20 30 HHEDLO CC(C)Cn1ncc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000497632696 1001465890 /nfs/dbraw/zinc/46/58/90/1001465890.db2.gz PAMHIKUTSWHGEN-UHFFFAOYSA-N 1 2 406.534 3.638 20 30 HHEDLO COc1cc(OC)cc(Oc2cccc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)c2)c1 ZINC000506617395 1001472779 /nfs/dbraw/zinc/47/27/79/1001472779.db2.gz IYYALCPPYUCAFY-HSZRJFAPSA-N 1 2 417.465 3.684 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000506657929 1001485337 /nfs/dbraw/zinc/48/53/37/1001485337.db2.gz VPZLZGOFLHFESI-IBGZPJMESA-N 1 2 422.451 3.776 20 30 HHEDLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000506657929 1001485340 /nfs/dbraw/zinc/48/53/40/1001485340.db2.gz VPZLZGOFLHFESI-IBGZPJMESA-N 1 2 422.451 3.776 20 30 HHEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1OC ZINC000506675699 1001490150 /nfs/dbraw/zinc/49/01/50/1001490150.db2.gz LUAQBQSXYHFPJE-UHFFFAOYSA-N 1 2 423.351 3.513 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497721835 1001495428 /nfs/dbraw/zinc/49/54/28/1001495428.db2.gz IBIQIEQTRPZDRR-RTWAWAEBSA-N 1 2 414.912 3.982 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497721835 1001495430 /nfs/dbraw/zinc/49/54/30/1001495430.db2.gz IBIQIEQTRPZDRR-RTWAWAEBSA-N 1 2 414.912 3.982 20 30 HHEDLO C=CCn1nnnc1Sc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000498692416 1002079419 /nfs/dbraw/zinc/07/94/19/1002079419.db2.gz XXLPUIKEWVKPMW-UHFFFAOYSA-N 1 2 409.544 3.744 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000498847418 1002232355 /nfs/dbraw/zinc/23/23/55/1002232355.db2.gz XPSWJAQRAPDRGT-RTWAWAEBSA-N 1 2 400.906 3.707 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000498847418 1002232364 /nfs/dbraw/zinc/23/23/64/1002232364.db2.gz XPSWJAQRAPDRGT-RTWAWAEBSA-N 1 2 400.906 3.707 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498903103 1002295107 /nfs/dbraw/zinc/29/51/07/1002295107.db2.gz DEQQKORGJMDERK-KRWDZBQOSA-N 1 2 410.389 3.743 20 30 HHEDLO N#CCCN(C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F)c1cccc(Cl)c1 ZINC000499941143 1003264697 /nfs/dbraw/zinc/26/46/97/1003264697.db2.gz CGEHKRZFUFBSLI-KRWDZBQOSA-N 1 2 410.276 3.702 20 30 HHEDLO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508845792 1003266332 /nfs/dbraw/zinc/26/63/32/1003266332.db2.gz PCJXZCWFIFNATN-UHFFFAOYSA-N 1 2 411.937 3.818 20 30 HHEDLO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508904284 1003341750 /nfs/dbraw/zinc/34/17/50/1003341750.db2.gz SLEWAMZYTJBCPP-UHFFFAOYSA-N 1 2 421.549 3.889 20 30 HHEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000508955411 1003412997 /nfs/dbraw/zinc/41/29/97/1003412997.db2.gz GFZDTHSYCDRVSS-MRXNPFEDSA-N 1 2 410.472 3.688 20 30 HHEDLO C=CCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000508965955 1003434734 /nfs/dbraw/zinc/43/47/34/1003434734.db2.gz YBTMLPCEWZEURG-INIZCTEOSA-N 1 2 412.488 3.631 20 30 HHEDLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000500599045 1003813325 /nfs/dbraw/zinc/81/33/25/1003813325.db2.gz ILZQXJYMTUDIKO-GHDARCQNSA-N 1 2 419.573 3.558 20 30 HHEDLO C=CC[N@@H+](Cc1c(Cl)cccc1C(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000509671186 1004018048 /nfs/dbraw/zinc/01/80/48/1004018048.db2.gz OFPWJXRTWNXQSH-HNNXBMFYSA-N 1 2 411.893 3.852 20 30 HHEDLO C=CC[N@H+](Cc1c(Cl)cccc1C(=O)OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000509671186 1004018060 /nfs/dbraw/zinc/01/80/60/1004018060.db2.gz OFPWJXRTWNXQSH-HNNXBMFYSA-N 1 2 411.893 3.852 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccc1OCC(F)(F)F ZINC000512237277 1004139266 /nfs/dbraw/zinc/13/92/66/1004139266.db2.gz OTMCMDDQOICXSO-UHFFFAOYSA-N 1 2 423.410 3.969 20 30 HHEDLO Cc1noc(C2(C)CC[NH+](CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)n1 ZINC000510411240 1004547249 /nfs/dbraw/zinc/54/72/49/1004547249.db2.gz BVAAMQKJTIYTSR-OAHLLOKOSA-N 1 2 413.547 3.765 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)NCC(C)(C)CCC#N)[nH+]c12 ZINC000501917523 1004809682 /nfs/dbraw/zinc/80/96/82/1004809682.db2.gz RTNZXNITDGBZDA-UHFFFAOYSA-N 1 2 406.328 3.577 20 30 HHEDLO N#Cc1cc(F)ccc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510947435 1004948391 /nfs/dbraw/zinc/94/83/91/1004948391.db2.gz DNKNAFMMYHDCAE-UHFFFAOYSA-N 1 2 403.255 3.952 20 30 HHEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)Cc2cccc(F)c2)cc1 ZINC000513429039 1004962080 /nfs/dbraw/zinc/96/20/80/1004962080.db2.gz AXZGRBBDFXBKCB-ZEQRLZLVSA-N 1 2 421.516 3.870 20 30 HHEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)Cc2cccc(F)c2)cc1 ZINC000513429039 1004962086 /nfs/dbraw/zinc/96/20/86/1004962086.db2.gz AXZGRBBDFXBKCB-ZEQRLZLVSA-N 1 2 421.516 3.870 20 30 HHEDLO N#Cc1ccc(C2=CCN(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)CC2)cc1 ZINC000502319341 1005009161 /nfs/dbraw/zinc/00/91/61/1005009161.db2.gz ORFMHHYDJLOALQ-UHFFFAOYSA-N 1 2 411.509 3.844 20 30 HHEDLO Cc1cc(Cl)ccc1C[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000511096142 1005017193 /nfs/dbraw/zinc/01/71/93/1005017193.db2.gz YZXJUGFHAOJFCX-UHFFFAOYSA-N 1 2 402.951 3.728 20 30 HHEDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502549355 1005114552 /nfs/dbraw/zinc/11/45/52/1005114552.db2.gz WRRLSTKVIYQXJR-UHFFFAOYSA-N 1 2 416.525 3.768 20 30 HHEDLO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502549355 1005114556 /nfs/dbraw/zinc/11/45/56/1005114556.db2.gz WRRLSTKVIYQXJR-UHFFFAOYSA-N 1 2 416.525 3.768 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)cc1 ZINC000511389345 1005152714 /nfs/dbraw/zinc/15/27/14/1005152714.db2.gz BWPBSUJJLCJKQD-UPVQGACJSA-N 1 2 418.541 3.553 20 30 HHEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000514105994 1005268167 /nfs/dbraw/zinc/26/81/67/1005268167.db2.gz VKDQBSQTDWWWBP-UHFFFAOYSA-N 1 2 409.440 3.812 20 30 HHEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000514105994 1005268172 /nfs/dbraw/zinc/26/81/72/1005268172.db2.gz VKDQBSQTDWWWBP-UHFFFAOYSA-N 1 2 409.440 3.812 20 30 HHEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000511690900 1005278160 /nfs/dbraw/zinc/27/81/60/1005278160.db2.gz JTYOTAITGXICLZ-FQEVSTJZSA-N 1 2 407.424 3.625 20 30 HHEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000511690900 1005278163 /nfs/dbraw/zinc/27/81/63/1005278163.db2.gz JTYOTAITGXICLZ-FQEVSTJZSA-N 1 2 407.424 3.625 20 30 HHEDLO N#Cc1ccccc1COc1cccc(CNc2cccc(CN3CCOCC3)[nH+]2)c1 ZINC000503270007 1005381160 /nfs/dbraw/zinc/38/11/60/1005381160.db2.gz QGKPMXJDZKLSNG-UHFFFAOYSA-N 1 2 414.509 3.977 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000514412923 1005978589 /nfs/dbraw/zinc/97/85/89/1005978589.db2.gz ULVVQNPFUPVEIG-UHFFFAOYSA-N 1 2 401.576 3.628 20 30 HHEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000534816951 1006824313 /nfs/dbraw/zinc/82/43/13/1006824313.db2.gz UVJYRMARNYVNCZ-QZTJIDSGSA-N 1 2 410.326 3.589 20 30 HHEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000534816951 1006824322 /nfs/dbraw/zinc/82/43/22/1006824322.db2.gz UVJYRMARNYVNCZ-QZTJIDSGSA-N 1 2 410.326 3.589 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538638082 1006909041 /nfs/dbraw/zinc/90/90/41/1006909041.db2.gz TZCZZUVPIFXIOT-CQSZACIVSA-N 1 2 405.420 3.880 20 30 HHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538638082 1006909052 /nfs/dbraw/zinc/90/90/52/1006909052.db2.gz TZCZZUVPIFXIOT-CQSZACIVSA-N 1 2 405.420 3.880 20 30 HHEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)c(SC)cc1OC ZINC000532584370 1007020983 /nfs/dbraw/zinc/02/09/83/1007020983.db2.gz OZBDHAAWRQHWAW-OAHLLOKOSA-N 1 2 405.564 3.589 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)c(SC)cc1OC ZINC000532584370 1007020993 /nfs/dbraw/zinc/02/09/93/1007020993.db2.gz OZBDHAAWRQHWAW-OAHLLOKOSA-N 1 2 405.564 3.589 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)o2)c1 ZINC000538947825 1007234274 /nfs/dbraw/zinc/23/42/74/1007234274.db2.gz GIMHECHZJLDOEH-UHFFFAOYSA-N 1 2 400.438 3.669 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC=C(c4ccc5c(c4)OCCO5)CC3)o2)c1 ZINC000538947825 1007234283 /nfs/dbraw/zinc/23/42/83/1007234283.db2.gz GIMHECHZJLDOEH-UHFFFAOYSA-N 1 2 400.438 3.669 20 30 HHEDLO CC1(C)CN(C(=O)C2C[NH+](Cc3ccc(C#N)s3)C2)c2cc(NC3CC3)ccc21 ZINC000517041649 1007375969 /nfs/dbraw/zinc/37/59/69/1007375969.db2.gz CXBRDVBIRRUQAW-UHFFFAOYSA-N 1 2 406.555 3.950 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533024259 1007384179 /nfs/dbraw/zinc/38/41/79/1007384179.db2.gz ORRDQYBFIIWJQH-LSDHHAIUSA-N 1 2 417.575 3.879 20 30 HHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000533024259 1007384194 /nfs/dbraw/zinc/38/41/94/1007384194.db2.gz ORRDQYBFIIWJQH-LSDHHAIUSA-N 1 2 417.575 3.879 20 30 HHEDLO COc1cc(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c(SC)cc1OC ZINC000533292693 1007607668 /nfs/dbraw/zinc/60/76/68/1007607668.db2.gz CCWVHBGEZAROLA-SFHVURJKSA-N 1 2 411.527 3.535 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c(SC)cc1OC ZINC000533292693 1007607675 /nfs/dbraw/zinc/60/76/75/1007607675.db2.gz CCWVHBGEZAROLA-SFHVURJKSA-N 1 2 411.527 3.535 20 30 HHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1ccc(OC)cc1 ZINC000517636856 1007846214 /nfs/dbraw/zinc/84/62/14/1007846214.db2.gz RNSBMBBDMNKURC-UHFFFAOYSA-N 1 2 408.477 3.955 20 30 HHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1ccc(OC)cc1 ZINC000517636856 1007846224 /nfs/dbraw/zinc/84/62/24/1007846224.db2.gz RNSBMBBDMNKURC-UHFFFAOYSA-N 1 2 408.477 3.955 20 30 HHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533843081 1008151000 /nfs/dbraw/zinc/15/10/00/1008151000.db2.gz MPIDNTJQLBZELD-UHFFFAOYSA-N 1 2 414.513 3.900 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000540339730 1008387996 /nfs/dbraw/zinc/38/79/96/1008387996.db2.gz XIBANDXXWJEFHT-DLBZAZTESA-N 1 2 424.574 3.825 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000540339730 1008387999 /nfs/dbraw/zinc/38/79/99/1008387999.db2.gz XIBANDXXWJEFHT-DLBZAZTESA-N 1 2 424.574 3.825 20 30 HHEDLO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000549399509 1008983900 /nfs/dbraw/zinc/98/39/00/1008983900.db2.gz LIWGXRKOTVRPQD-INIZCTEOSA-N 1 2 422.483 3.998 20 30 HHEDLO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000549601406 1009230620 /nfs/dbraw/zinc/23/06/20/1009230620.db2.gz JTAWPGLPUDBICY-UHFFFAOYSA-N 1 2 417.517 3.621 20 30 HHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1C ZINC000543888418 1009465939 /nfs/dbraw/zinc/46/59/39/1009465939.db2.gz MGDKSFTXJBNJEL-UHFFFAOYSA-N 1 2 408.437 3.567 20 30 HHEDLO C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543905866 1009489817 /nfs/dbraw/zinc/48/98/17/1009489817.db2.gz IFJMBRJIDFIMQZ-GOSISDBHSA-N 1 2 406.530 3.696 20 30 HHEDLO C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543905866 1009489827 /nfs/dbraw/zinc/48/98/27/1009489827.db2.gz IFJMBRJIDFIMQZ-GOSISDBHSA-N 1 2 406.530 3.696 20 30 HHEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC000520462451 1009572329 /nfs/dbraw/zinc/57/23/29/1009572329.db2.gz QPWQRSRKSPMHSV-GOSISDBHSA-N 1 2 419.525 3.886 20 30 HHEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC000520462451 1009572335 /nfs/dbraw/zinc/57/23/35/1009572335.db2.gz QPWQRSRKSPMHSV-GOSISDBHSA-N 1 2 419.525 3.886 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000520656761 1009727788 /nfs/dbraw/zinc/72/77/88/1009727788.db2.gz OSZQWBUVDZNYSE-UHFFFAOYSA-N 1 2 417.340 3.935 20 30 HHEDLO C=CCNC(=O)c1cccc(-c2noc(C3CC[NH+](Cc4csc(C)n4)CC3)n2)c1 ZINC000544402852 1010022804 /nfs/dbraw/zinc/02/28/04/1010022804.db2.gz VICFCLMZUSWEBC-UHFFFAOYSA-N 1 2 423.542 3.797 20 30 HHEDLO COc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(Br)c1O ZINC000544942863 1010507746 /nfs/dbraw/zinc/50/77/46/1010507746.db2.gz JTZSVVYVOARWMS-UHFFFAOYSA-N 1 2 416.319 3.747 20 30 HHEDLO COc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(Br)c1O ZINC000544942863 1010507755 /nfs/dbraw/zinc/50/77/55/1010507755.db2.gz JTZSVVYVOARWMS-UHFFFAOYSA-N 1 2 416.319 3.747 20 30 HHEDLO COc1cccc(C2(C(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)CCCC2)c1 ZINC000521750975 1010591660 /nfs/dbraw/zinc/59/16/60/1010591660.db2.gz OFKXQUAOXBTTPT-UHFFFAOYSA-N 1 2 403.526 3.723 20 30 HHEDLO C=CCCO[C@@H](C)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000545101167 1010615429 /nfs/dbraw/zinc/61/54/29/1010615429.db2.gz UPSJOZKAJSHRSR-KRWDZBQOSA-N 1 2 406.490 3.507 20 30 HHEDLO N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2)nc1 ZINC000521963403 1010740653 /nfs/dbraw/zinc/74/06/53/1010740653.db2.gz YBRKBXZHAARMFA-UHFFFAOYSA-N 1 2 409.449 3.920 20 30 HHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000536180162 1011314699 /nfs/dbraw/zinc/31/46/99/1011314699.db2.gz LSSOHGNOVKVZHS-LJQANCHMSA-N 1 2 401.413 3.562 20 30 HHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000536180162 1011314708 /nfs/dbraw/zinc/31/47/08/1011314708.db2.gz LSSOHGNOVKVZHS-LJQANCHMSA-N 1 2 401.413 3.562 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c1C ZINC000541085456 1011727458 /nfs/dbraw/zinc/72/74/58/1011727458.db2.gz CQUKTXKCCJAEGY-JSGCOSHPSA-N 1 2 409.412 3.648 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(C#N)c1C ZINC000541085456 1011727470 /nfs/dbraw/zinc/72/74/70/1011727470.db2.gz CQUKTXKCCJAEGY-JSGCOSHPSA-N 1 2 409.412 3.648 20 30 HHEDLO N#Cc1ccc(-n2ccc(NC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)n2)c(F)c1 ZINC000541102328 1011748798 /nfs/dbraw/zinc/74/87/98/1011748798.db2.gz APDLKTZMYGULPO-UHFFFAOYSA-N 1 2 419.395 3.530 20 30 HHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000541103832 1011750752 /nfs/dbraw/zinc/75/07/52/1011750752.db2.gz IOWICOSVJLYBJZ-UHFFFAOYSA-N 1 2 417.860 3.905 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541128181 1011785742 /nfs/dbraw/zinc/78/57/42/1011785742.db2.gz SKOHOUXWMSNIEW-CQSZACIVSA-N 1 2 423.464 3.793 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541128181 1011785749 /nfs/dbraw/zinc/78/57/49/1011785749.db2.gz SKOHOUXWMSNIEW-CQSZACIVSA-N 1 2 423.464 3.793 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551734893 1011894655 /nfs/dbraw/zinc/89/46/55/1011894655.db2.gz AEDHJPDPZVZXDI-UHFFFAOYSA-N 1 2 404.848 3.641 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551734893 1011894672 /nfs/dbraw/zinc/89/46/72/1011894672.db2.gz AEDHJPDPZVZXDI-UHFFFAOYSA-N 1 2 404.848 3.641 20 30 HHEDLO CCOC(=O)c1c(NC(=O)C[NH+]2CCC(CC#N)CC2)sc2c1CC[C@H](C)C2 ZINC000541948181 1012807997 /nfs/dbraw/zinc/80/79/97/1012807997.db2.gz HQEJTOZOZKRPTF-AWEZNQCLSA-N 1 2 403.548 3.614 20 30 HHEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000488212659 1072139447 /nfs/dbraw/zinc/13/94/47/1072139447.db2.gz CIOBDKCQVQVFEU-GDIGMMSISA-N 1 2 409.933 3.592 20 30 HHEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000488212659 1072139448 /nfs/dbraw/zinc/13/94/48/1072139448.db2.gz CIOBDKCQVQVFEU-GDIGMMSISA-N 1 2 409.933 3.592 20 30 HHEDLO N#CCOc1cccc(CC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000760351325 1072271808 /nfs/dbraw/zinc/27/18/08/1072271808.db2.gz PLRBEAURJQTIKE-FQEVSTJZSA-N 1 2 415.896 3.877 20 30 HHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000760480338 1072379600 /nfs/dbraw/zinc/37/96/00/1072379600.db2.gz YBKVAMAFVHZEGW-RTBURBONSA-N 1 2 402.502 3.562 20 30 HHEDLO CCc1cc2oc(=O)cc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)c2cc1Cl ZINC000760911807 1074622786 /nfs/dbraw/zinc/62/27/86/1074622786.db2.gz QIEKGHLUJKVXTR-UHFFFAOYSA-N 1 2 408.889 3.598 20 30 HHEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000574479407 1075253382 /nfs/dbraw/zinc/25/33/82/1075253382.db2.gz FZSNSZZHIJGPBH-XZOQPEGZSA-N 1 2 417.488 3.648 20 30 HHEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000574479407 1075253384 /nfs/dbraw/zinc/25/33/84/1075253384.db2.gz FZSNSZZHIJGPBH-XZOQPEGZSA-N 1 2 417.488 3.648 20 30 HHEDLO N#Cc1cccc([C@H]2CN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CCO2)c1 ZINC000761218296 1075640865 /nfs/dbraw/zinc/64/08/65/1075640865.db2.gz DIQGHIFLMOCEEH-LJQANCHMSA-N 1 2 411.531 3.606 20 30 HHEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3cccs3)ccc2C#N)CC1 ZINC001164919022 721819250 /nfs/dbraw/zinc/81/92/50/721819250.db2.gz YSACIHHFQUGABD-UHFFFAOYSA-N 1 2 404.543 3.628 20 30 HHEDLO Cc1nc(CN2CCO[C@@H]3CCN(c4[nH+]ccc5ccc(C#N)cc54)CC[C@H]32)cs1 ZINC001164991742 722180110 /nfs/dbraw/zinc/18/01/10/722180110.db2.gz QVWXORHCTFGDCU-FGZHOGPDSA-N 1 2 419.554 3.741 20 30 HHEDLO COc1cc(C[NH+]2CCN(c3ccc(Cl)cc3C#N)CC2)cc(OC)c1OC ZINC000301510026 970961971 /nfs/dbraw/zinc/96/19/71/970961971.db2.gz DXGWMTFNQNMFBJ-UHFFFAOYSA-N 1 2 401.894 3.560 20 30 HHEDLO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000303302780 971612804 /nfs/dbraw/zinc/61/28/04/971612804.db2.gz DBFMQRWLVXRPKF-ZWKOTPCHSA-N 1 2 416.591 3.648 20 30 HHEDLO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000303302780 971612809 /nfs/dbraw/zinc/61/28/09/971612809.db2.gz DBFMQRWLVXRPKF-ZWKOTPCHSA-N 1 2 416.591 3.648 20 30 HHEDLO CN(C(=O)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)C1(C#N)CCCCC1 ZINC000537564252 1013100991 /nfs/dbraw/zinc/10/09/91/1013100991.db2.gz RQRNZOFNLQVOOV-IBGZPJMESA-N 1 2 412.582 3.717 20 30 HHEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1C(F)(F)F ZINC000303563035 971857155 /nfs/dbraw/zinc/85/71/55/971857155.db2.gz XIKOQZKVSRUQTF-FQEVSTJZSA-N 1 2 414.431 3.505 20 30 HHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000303647211 971926202 /nfs/dbraw/zinc/92/62/02/971926202.db2.gz AFGXUFIJYVYXMN-QGZVFWFLSA-N 1 2 419.916 3.641 20 30 HHEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 ZINC000303898624 972436548 /nfs/dbraw/zinc/43/65/48/972436548.db2.gz LCBPWEFPPOGTKA-HNNXBMFYSA-N 1 2 408.531 3.703 20 30 HHEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)s1 ZINC000303898624 972436554 /nfs/dbraw/zinc/43/65/54/972436554.db2.gz LCBPWEFPPOGTKA-HNNXBMFYSA-N 1 2 408.531 3.703 20 30 HHEDLO CCO[C@@H](C)c1nc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)cs1 ZINC000303909760 972481629 /nfs/dbraw/zinc/48/16/29/972481629.db2.gz UJPDRISZKJPNNB-INIZCTEOSA-N 1 2 413.547 3.939 20 30 HHEDLO N#Cc1nc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccc1Cl ZINC000553245056 1013211703 /nfs/dbraw/zinc/21/17/03/1013211703.db2.gz IHMOVTQBLDSQAQ-UHFFFAOYSA-N 1 2 406.671 3.865 20 30 HHEDLO Cc1ccnc(NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c1C#N ZINC000542279422 1013239797 /nfs/dbraw/zinc/23/97/97/1013239797.db2.gz VOIFNOJSROSTIS-UHFFFAOYSA-N 1 2 402.477 3.735 20 30 HHEDLO COc1cc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000015036281 962636489 /nfs/dbraw/zinc/63/64/89/962636489.db2.gz VTUFFKSJRXRVRF-UHFFFAOYSA-N 1 2 401.413 3.771 20 30 HHEDLO COc1cc(C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000015036281 962636498 /nfs/dbraw/zinc/63/64/98/962636498.db2.gz VTUFFKSJRXRVRF-UHFFFAOYSA-N 1 2 401.413 3.771 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1Cl ZINC000537857078 1013426914 /nfs/dbraw/zinc/42/69/14/1013426914.db2.gz JUCCSUFZZJYIHX-HNNXBMFYSA-N 1 2 424.810 3.717 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1Cl ZINC000537857078 1013426918 /nfs/dbraw/zinc/42/69/18/1013426918.db2.gz JUCCSUFZZJYIHX-HNNXBMFYSA-N 1 2 424.810 3.717 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781544 963715511 /nfs/dbraw/zinc/71/55/11/963715511.db2.gz KDWBZIXWQUKQIX-MRXNPFEDSA-N 1 2 416.447 3.722 20 30 HHEDLO CCc1sc(-c2nnc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000023257827 963789601 /nfs/dbraw/zinc/78/96/01/963789601.db2.gz CJEFBLQCJWWQDU-UHFFFAOYSA-N 1 2 407.543 3.858 20 30 HHEDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026331336 964526808 /nfs/dbraw/zinc/52/68/08/964526808.db2.gz WVYWOHKPPKTCJA-UHFFFAOYSA-N 1 2 406.269 3.722 20 30 HHEDLO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026331336 964526823 /nfs/dbraw/zinc/52/68/23/964526823.db2.gz WVYWOHKPPKTCJA-UHFFFAOYSA-N 1 2 406.269 3.722 20 30 HHEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000026331377 964527077 /nfs/dbraw/zinc/52/70/77/964527077.db2.gz QJUUVDULILYDGY-XMMPIXPASA-N 1 2 413.477 3.776 20 30 HHEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000026331377 964527082 /nfs/dbraw/zinc/52/70/82/964527082.db2.gz QJUUVDULILYDGY-XMMPIXPASA-N 1 2 413.477 3.776 20 30 HHEDLO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000026467938 964575250 /nfs/dbraw/zinc/57/52/50/964575250.db2.gz PIXIGQUPLSZZTK-MOPGFXCFSA-N 1 2 416.525 3.688 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000052074322 964799381 /nfs/dbraw/zinc/79/93/81/964799381.db2.gz NQMKMUMZXUQOTK-KRWDZBQOSA-N 1 2 400.498 3.784 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000052074322 964799388 /nfs/dbraw/zinc/79/93/88/964799388.db2.gz NQMKMUMZXUQOTK-KRWDZBQOSA-N 1 2 400.498 3.784 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)o1 ZINC000053269865 965111777 /nfs/dbraw/zinc/11/17/77/965111777.db2.gz IIMCMVSPSJPZSP-UHFFFAOYSA-N 1 2 407.495 3.580 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)o1 ZINC000053269865 965111782 /nfs/dbraw/zinc/11/17/82/965111782.db2.gz IIMCMVSPSJPZSP-UHFFFAOYSA-N 1 2 407.495 3.580 20 30 HHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)nc1C ZINC000542613943 1013550275 /nfs/dbraw/zinc/55/02/75/1013550275.db2.gz BBYNUOKRCHGHIV-HOTGVXAUSA-N 1 2 414.531 3.614 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000542621395 1013556948 /nfs/dbraw/zinc/55/69/48/1013556948.db2.gz DFBAGPBUKAEKGF-IRXDYDNUSA-N 1 2 420.542 3.951 20 30 HHEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3)n(-c3cccc(C)c3)c2=S)CC1 ZINC000029436503 965379955 /nfs/dbraw/zinc/37/99/55/965379955.db2.gz GRIZJUWUOIVXHF-UHFFFAOYSA-N 1 2 403.555 3.587 20 30 HHEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029780303 965496458 /nfs/dbraw/zinc/49/64/58/965496458.db2.gz ZRCYKPKMRUWADQ-INIZCTEOSA-N 1 2 417.431 3.689 20 30 HHEDLO Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985423 965583845 /nfs/dbraw/zinc/58/38/45/965583845.db2.gz RRHSTRQSODELEM-UHFFFAOYSA-N 1 2 417.538 3.733 20 30 HHEDLO Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029985423 965583856 /nfs/dbraw/zinc/58/38/56/965583856.db2.gz RRHSTRQSODELEM-UHFFFAOYSA-N 1 2 417.538 3.733 20 30 HHEDLO COc1ccc([C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000054974763 965715555 /nfs/dbraw/zinc/71/55/55/965715555.db2.gz MYXUZVGLHBDRTE-QHCPKHFHSA-N 1 2 404.514 3.545 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538027200 1013599098 /nfs/dbraw/zinc/59/90/98/1013599098.db2.gz IBDMVKASALCEFY-FPOVZHCZSA-N 1 2 401.869 3.681 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538027200 1013599106 /nfs/dbraw/zinc/59/91/06/1013599106.db2.gz IBDMVKASALCEFY-FPOVZHCZSA-N 1 2 401.869 3.681 20 30 HHEDLO N#Cc1ccc(OCC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000031895385 966148275 /nfs/dbraw/zinc/14/82/75/966148275.db2.gz ISBJQMXXBYBIEK-IBGZPJMESA-N 1 2 401.869 3.683 20 30 HHEDLO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4cccc(C#N)c4F)CC3)cc2NC1=O ZINC000538087086 1013659827 /nfs/dbraw/zinc/65/98/27/1013659827.db2.gz DQBYTKMSHINMDO-CQSZACIVSA-N 1 2 407.445 3.512 20 30 HHEDLO COCC[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063753685 966947431 /nfs/dbraw/zinc/94/74/31/966947431.db2.gz OAUQNZVHLRCBGG-UHFFFAOYSA-N 1 2 411.521 3.973 20 30 HHEDLO COCC[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063753685 966947439 /nfs/dbraw/zinc/94/74/39/966947439.db2.gz OAUQNZVHLRCBGG-UHFFFAOYSA-N 1 2 411.521 3.973 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000065603809 967542608 /nfs/dbraw/zinc/54/26/08/967542608.db2.gz YJXOQXXETVATFL-UHFFFAOYSA-N 1 2 407.562 3.914 20 30 HHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000065603809 967542613 /nfs/dbraw/zinc/54/26/13/967542613.db2.gz YJXOQXXETVATFL-UHFFFAOYSA-N 1 2 407.562 3.914 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046089386 967656880 /nfs/dbraw/zinc/65/68/80/967656880.db2.gz HKPGLGICRFTYTN-IBGZPJMESA-N 1 2 400.548 3.850 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000046089386 967656885 /nfs/dbraw/zinc/65/68/85/967656885.db2.gz HKPGLGICRFTYTN-IBGZPJMESA-N 1 2 400.548 3.850 20 30 HHEDLO CC(C)(C)OCc1cccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000110273665 969645872 /nfs/dbraw/zinc/64/58/72/969645872.db2.gz MDROORSYLBFODM-UHFFFAOYSA-N 1 2 420.557 3.901 20 30 HHEDLO C=CC[N@@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)Cc1cccc(C#N)c1 ZINC000195729217 969987025 /nfs/dbraw/zinc/98/70/25/969987025.db2.gz FDAWBZHUXIDTSP-UHFFFAOYSA-N 1 2 413.525 3.665 20 30 HHEDLO C=CC[N@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)Cc1cccc(C#N)c1 ZINC000195729217 969987033 /nfs/dbraw/zinc/98/70/33/969987033.db2.gz FDAWBZHUXIDTSP-UHFFFAOYSA-N 1 2 413.525 3.665 20 30 HHEDLO COc1ccc([C@@H](CNC(=O)C[NH+]2CCC(C#N)CC2)c2c[nH]c3ccccc32)cc1 ZINC000142061533 970139940 /nfs/dbraw/zinc/13/99/40/970139940.db2.gz XCWUZLBFWNTRLK-JOCHJYFZSA-N 1 2 416.525 3.660 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000554566033 1013979213 /nfs/dbraw/zinc/97/92/13/1013979213.db2.gz MYDGXRYKCBEAKX-XMMPIXPASA-N 1 2 402.542 3.986 20 30 HHEDLO CCc1nc(C)c(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)o1 ZINC000428297147 975608760 /nfs/dbraw/zinc/60/87/60/975608760.db2.gz FJJDIOIPCCMRMP-QGZVFWFLSA-N 1 2 403.324 3.690 20 30 HHEDLO CCc1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)o1 ZINC000428297146 975608930 /nfs/dbraw/zinc/60/89/30/975608930.db2.gz FJJDIOIPCCMRMP-KRWDZBQOSA-N 1 2 403.324 3.690 20 30 HHEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(O)(C(F)F)CC2)cc1OC ZINC000428446586 975756400 /nfs/dbraw/zinc/75/64/00/975756400.db2.gz KCZBCPGDEBXAJG-UHFFFAOYSA-N 1 2 406.267 3.615 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2)nc1 ZINC000428789163 976063290 /nfs/dbraw/zinc/06/32/90/976063290.db2.gz UDVZHVPSHQBGEJ-CQSZACIVSA-N 1 2 424.810 3.717 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2)nc1 ZINC000428789163 976063303 /nfs/dbraw/zinc/06/33/03/976063303.db2.gz UDVZHVPSHQBGEJ-CQSZACIVSA-N 1 2 424.810 3.717 20 30 HHEDLO COc1cccc(-c2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)c1OC ZINC000428809400 976087496 /nfs/dbraw/zinc/08/74/96/976087496.db2.gz VTQGCKWFZBOAHN-KRWDZBQOSA-N 1 2 422.510 3.747 20 30 HHEDLO COc1cccc(-c2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cs2)c1OC ZINC000428809400 976087506 /nfs/dbraw/zinc/08/75/06/976087506.db2.gz VTQGCKWFZBOAHN-KRWDZBQOSA-N 1 2 422.510 3.747 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428811378 976090561 /nfs/dbraw/zinc/09/05/61/976090561.db2.gz ZXKNUWYLNQXFAP-SWLSCSKDSA-N 1 2 405.285 3.740 20 30 HHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428811378 976090573 /nfs/dbraw/zinc/09/05/73/976090573.db2.gz ZXKNUWYLNQXFAP-SWLSCSKDSA-N 1 2 405.285 3.740 20 30 HHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000428825363 976106032 /nfs/dbraw/zinc/10/60/32/976106032.db2.gz ZMJURZIQHOTYAQ-UHFFFAOYSA-N 1 2 406.452 3.938 20 30 HHEDLO N#Cc1c(F)cccc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000428944699 976239936 /nfs/dbraw/zinc/23/99/36/976239936.db2.gz UREAUOOKAQNQKI-UHFFFAOYSA-N 1 2 403.255 3.952 20 30 HHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000429005118 976285146 /nfs/dbraw/zinc/28/51/46/976285146.db2.gz YBKBBNLVWXKTEV-UHFFFAOYSA-N 1 2 424.549 3.524 20 30 HHEDLO N#Cc1ccccc1OC1CCC(Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000434098197 979847968 /nfs/dbraw/zinc/84/79/68/979847968.db2.gz PNWPYFDSAOFMFB-IOJLRTSASA-N 1 2 407.518 3.502 20 30 HHEDLO N#Cc1ccccc1OC1CCC(Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000434098197 979847982 /nfs/dbraw/zinc/84/79/82/979847982.db2.gz PNWPYFDSAOFMFB-IOJLRTSASA-N 1 2 407.518 3.502 20 30 HHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000434374369 980121580 /nfs/dbraw/zinc/12/15/80/980121580.db2.gz SAFTVJHKDXPCPV-RTBURBONSA-N 1 2 406.530 3.648 20 30 HHEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000434836705 980433242 /nfs/dbraw/zinc/43/32/42/980433242.db2.gz OZYDZMAGHCZBTJ-UHFFFAOYSA-N 1 2 405.481 3.866 20 30 HHEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000434836705 980433245 /nfs/dbraw/zinc/43/32/45/980433245.db2.gz OZYDZMAGHCZBTJ-UHFFFAOYSA-N 1 2 405.481 3.866 20 30 HHEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000434890177 980473036 /nfs/dbraw/zinc/47/30/36/980473036.db2.gz ZSJNGRHEQIZPSB-HSZRJFAPSA-N 1 2 406.507 3.850 20 30 HHEDLO C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)c1nc(-c2cccc(F)c2)no1 ZINC000434981708 980547566 /nfs/dbraw/zinc/54/75/66/980547566.db2.gz LTAMBQQAEFPBJJ-OAHLLOKOSA-N 1 2 417.448 3.899 20 30 HHEDLO Cc1cc([C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CCO2)ccc1F ZINC000435131938 980663248 /nfs/dbraw/zinc/66/32/48/980663248.db2.gz GPPNLPFWOXOTBY-JOCHJYFZSA-N 1 2 405.477 3.880 20 30 HHEDLO Cc1cc([C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CCO2)ccc1F ZINC000435131938 980663251 /nfs/dbraw/zinc/66/32/51/980663251.db2.gz GPPNLPFWOXOTBY-JOCHJYFZSA-N 1 2 405.477 3.880 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)CC2)cc1 ZINC000435825874 981047430 /nfs/dbraw/zinc/04/74/30/981047430.db2.gz JAHOQNABHGVZDP-UHFFFAOYSA-N 1 2 413.443 3.953 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437773980 982348324 /nfs/dbraw/zinc/34/83/24/982348324.db2.gz MXVDWEHAMIQOEE-TTYHFUOFSA-N 1 2 409.933 3.895 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000437773980 982348329 /nfs/dbraw/zinc/34/83/29/982348329.db2.gz MXVDWEHAMIQOEE-TTYHFUOFSA-N 1 2 409.933 3.895 20 30 HHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(OC(F)F)c1 ZINC000437799123 982364739 /nfs/dbraw/zinc/36/47/39/982364739.db2.gz LZNVDWODRSIDTL-UHFFFAOYSA-N 1 2 417.431 3.576 20 30 HHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(OC(F)F)c1 ZINC000437799123 982364744 /nfs/dbraw/zinc/36/47/44/982364744.db2.gz LZNVDWODRSIDTL-UHFFFAOYSA-N 1 2 417.431 3.576 20 30 HHEDLO C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@@H+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000460812595 982565287 /nfs/dbraw/zinc/56/52/87/982565287.db2.gz JZWSOIHPSXQDBF-MRXNPFEDSA-N 1 2 416.595 3.608 20 30 HHEDLO C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@H+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000460812595 982565292 /nfs/dbraw/zinc/56/52/92/982565292.db2.gz JZWSOIHPSXQDBF-MRXNPFEDSA-N 1 2 416.595 3.608 20 30 HHEDLO C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@@H+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000460938569 982676503 /nfs/dbraw/zinc/67/65/03/982676503.db2.gz LAYKJWCQXNVVPL-QGZVFWFLSA-N 1 2 418.611 3.854 20 30 HHEDLO C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@H+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000460938569 982676506 /nfs/dbraw/zinc/67/65/06/982676506.db2.gz LAYKJWCQXNVVPL-QGZVFWFLSA-N 1 2 418.611 3.854 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3CNC(=O)Nc3ccccc3)o2)c1 ZINC000438696113 983009131 /nfs/dbraw/zinc/00/91/31/983009131.db2.gz LEIWNWBNXFQNLG-FQEVSTJZSA-N 1 2 416.485 3.784 20 30 HHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CNC(=O)Nc3ccccc3)o2)c1 ZINC000438696113 983009140 /nfs/dbraw/zinc/00/91/40/983009140.db2.gz LEIWNWBNXFQNLG-FQEVSTJZSA-N 1 2 416.485 3.784 20 30 HHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000438810507 983085229 /nfs/dbraw/zinc/08/52/29/983085229.db2.gz CDRVJPFYDBQTCW-OAHLLOKOSA-N 1 2 402.951 3.981 20 30 HHEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3ccccc3Br)CC2)c1 ZINC000439264887 983337937 /nfs/dbraw/zinc/33/79/37/983337937.db2.gz ICXBZIVULYFPCS-UHFFFAOYSA-N 1 2 412.331 3.817 20 30 HHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000441076462 984057893 /nfs/dbraw/zinc/05/78/93/984057893.db2.gz RMJZYPNLNAOJDD-HNNXBMFYSA-N 1 2 408.449 3.529 20 30 HHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000441076462 984057898 /nfs/dbraw/zinc/05/78/98/984057898.db2.gz RMJZYPNLNAOJDD-HNNXBMFYSA-N 1 2 408.449 3.529 20 30 HHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000441187105 984106444 /nfs/dbraw/zinc/10/64/44/984106444.db2.gz FXOFLYUXRPHDSV-KRWDZBQOSA-N 1 2 410.493 3.512 20 30 HHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000441187105 984106447 /nfs/dbraw/zinc/10/64/47/984106447.db2.gz FXOFLYUXRPHDSV-KRWDZBQOSA-N 1 2 410.493 3.512 20 30 HHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)c(C)c1 ZINC000441793320 984457408 /nfs/dbraw/zinc/45/74/08/984457408.db2.gz GTFHHLUVOFEDSZ-FQEVSTJZSA-N 1 2 421.888 3.521 20 30 HHEDLO CC[C@]1(C)Oc2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2O1 ZINC000443363051 985524485 /nfs/dbraw/zinc/52/44/85/985524485.db2.gz UJYZSFYFUWHIBD-HSZRJFAPSA-N 1 2 406.486 3.805 20 30 HHEDLO N#Cc1ccnc(N2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)c1 ZINC000443428091 985585656 /nfs/dbraw/zinc/58/56/56/985585656.db2.gz HXSHEOYNDZWYGN-UHFFFAOYSA-N 1 2 412.266 3.730 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(Br)cn1C ZINC000468068261 985727022 /nfs/dbraw/zinc/72/70/22/985727022.db2.gz JNBHZYNQEHVXTM-HNNXBMFYSA-N 1 2 403.324 3.555 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468068261 985727037 /nfs/dbraw/zinc/72/70/37/985727037.db2.gz JNBHZYNQEHVXTM-HNNXBMFYSA-N 1 2 403.324 3.555 20 30 HHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(Br)cn1C ZINC000468070421 985728620 /nfs/dbraw/zinc/72/86/20/985728620.db2.gz UUPNTVYYUOTFCI-XAUUPUKJSA-N 1 2 409.372 3.539 20 30 HHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(Br)cn1C ZINC000468070421 985728627 /nfs/dbraw/zinc/72/86/27/985728627.db2.gz UUPNTVYYUOTFCI-XAUUPUKJSA-N 1 2 409.372 3.539 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccsc3)C2)sc2c1CCCC2 ZINC000468112168 985774488 /nfs/dbraw/zinc/77/44/88/985774488.db2.gz WOOBQGQHOZISGA-QGZVFWFLSA-N 1 2 401.557 3.962 20 30 HHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccsc3)C2)sc2c1CCCC2 ZINC000468112168 985774497 /nfs/dbraw/zinc/77/44/97/985774497.db2.gz WOOBQGQHOZISGA-QGZVFWFLSA-N 1 2 401.557 3.962 20 30 HHEDLO Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000443672325 985878062 /nfs/dbraw/zinc/87/80/62/985878062.db2.gz FMPHBPMWZCRFAP-UHFFFAOYSA-N 1 2 404.905 3.694 20 30 HHEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463037299 985996979 /nfs/dbraw/zinc/99/69/79/985996979.db2.gz MVHLACAMFGYCFF-KRWDZBQOSA-N 1 2 413.543 3.693 20 30 HHEDLO C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@H]1n1cc[nH+]c1 ZINC000468841538 986551574 /nfs/dbraw/zinc/55/15/74/986551574.db2.gz FSQORPHZGQAYRR-HNAYVOBHSA-N 1 2 406.515 3.917 20 30 HHEDLO CC1(C)OCc2cc(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)ccc2O1 ZINC000468901287 986607698 /nfs/dbraw/zinc/60/76/98/986607698.db2.gz IIHWNEIPRXWQSS-UHFFFAOYSA-N 1 2 420.469 3.774 20 30 HHEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000469045678 986754772 /nfs/dbraw/zinc/75/47/72/986754772.db2.gz UVOYIQTUAKCKGW-HDICACEKSA-N 1 2 409.555 3.891 20 30 HHEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000469045678 986754777 /nfs/dbraw/zinc/75/47/77/986754777.db2.gz UVOYIQTUAKCKGW-HDICACEKSA-N 1 2 409.555 3.891 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000469086577 986799477 /nfs/dbraw/zinc/79/94/77/986799477.db2.gz YQWXILVEIZGWPD-INIZCTEOSA-N 1 2 413.905 3.797 20 30 HHEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000470042021 987928771 /nfs/dbraw/zinc/92/87/71/987928771.db2.gz CXXJBIMIEJLQMI-ZEQRLZLVSA-N 1 2 418.541 3.614 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c(OC)c1 ZINC000470199445 988120621 /nfs/dbraw/zinc/12/06/21/988120621.db2.gz YTYNDPSFDQICGQ-PERKRYKHSA-N 1 2 403.544 3.687 20 30 HHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c(OC)c1 ZINC000470199445 988120624 /nfs/dbraw/zinc/12/06/24/988120624.db2.gz YTYNDPSFDQICGQ-PERKRYKHSA-N 1 2 403.544 3.687 20 30 HHEDLO CC[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@@H](CC)CN1C(C)=O ZINC000470205760 988129662 /nfs/dbraw/zinc/12/96/62/988129662.db2.gz GBCIHJFVBINHII-RBUKOAKNSA-N 1 2 418.969 3.616 20 30 HHEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[C@@H](CC)CN1C(C)=O ZINC000470205760 988129664 /nfs/dbraw/zinc/12/96/64/988129664.db2.gz GBCIHJFVBINHII-RBUKOAKNSA-N 1 2 418.969 3.616 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000467017196 992324365 /nfs/dbraw/zinc/32/43/65/992324365.db2.gz PLCCUNNCBCADAD-OAQYLSRUSA-N 1 2 411.502 3.908 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000467017196 992324372 /nfs/dbraw/zinc/32/43/72/992324372.db2.gz PLCCUNNCBCADAD-OAQYLSRUSA-N 1 2 411.502 3.908 20 30 HHEDLO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000467174291 992495177 /nfs/dbraw/zinc/49/51/77/992495177.db2.gz UCAOEIMIIBCZFO-AWEZNQCLSA-N 1 2 419.913 3.789 20 30 HHEDLO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000467174291 992495184 /nfs/dbraw/zinc/49/51/84/992495184.db2.gz UCAOEIMIIBCZFO-AWEZNQCLSA-N 1 2 419.913 3.789 20 30 HHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472427700 993427175 /nfs/dbraw/zinc/42/71/75/993427175.db2.gz SGLLRBUZWWPVFU-QMMLZNLJSA-N 1 2 410.880 3.595 20 30 HHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472427700 993427180 /nfs/dbraw/zinc/42/71/80/993427180.db2.gz SGLLRBUZWWPVFU-QMMLZNLJSA-N 1 2 410.880 3.595 20 30 HHEDLO COCCOCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Br ZINC000481083777 993922509 /nfs/dbraw/zinc/92/25/09/993922509.db2.gz YKVIEPHMKXUWPK-UHFFFAOYSA-N 1 2 403.320 3.986 20 30 HHEDLO COCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Br ZINC000481083777 993922518 /nfs/dbraw/zinc/92/25/18/993922518.db2.gz YKVIEPHMKXUWPK-UHFFFAOYSA-N 1 2 403.320 3.986 20 30 HHEDLO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481416072 994250198 /nfs/dbraw/zinc/25/01/98/994250198.db2.gz HCRSOIJADCXJCA-RNODOKPDSA-N 1 2 411.868 3.790 20 30 HHEDLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481416074 994250977 /nfs/dbraw/zinc/25/09/77/994250977.db2.gz HCRSOIJADCXJCA-ZUOKHONESA-N 1 2 411.868 3.790 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2cnccc2C)c1C#N ZINC000483016220 995921152 /nfs/dbraw/zinc/92/11/52/995921152.db2.gz KQTWNSZSEMIBAQ-UHFFFAOYSA-N 1 2 419.504 3.938 20 30 HHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2cnccc2C)c1C#N ZINC000483016220 995921154 /nfs/dbraw/zinc/92/11/54/995921154.db2.gz KQTWNSZSEMIBAQ-UHFFFAOYSA-N 1 2 419.504 3.938 20 30 HHEDLO COc1cccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2cc(F)ccc2OC)c1 ZINC000475148793 995954562 /nfs/dbraw/zinc/95/45/62/995954562.db2.gz ARJTUGDWHLHAJR-XZOQPEGZSA-N 1 2 413.493 3.576 20 30 HHEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)c(OC(F)F)c1 ZINC000483083484 995961457 /nfs/dbraw/zinc/96/14/57/995961457.db2.gz LQCQLOUZSBCZBA-AWEZNQCLSA-N 1 2 402.319 3.881 20 30 HHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)C[C@H](CC#N)c3ccccc3)CCCC2)no1 ZINC000475178210 995975452 /nfs/dbraw/zinc/97/54/52/995975452.db2.gz XVIVSTUMYJCHED-IBGZPJMESA-N 1 2 409.534 3.884 20 30 HHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000475404450 996118529 /nfs/dbraw/zinc/11/85/29/996118529.db2.gz ZPJFLQPPBQGQIR-UHFFFAOYSA-N 1 2 406.530 3.657 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](c4ccccc4F)C3)CC2)cc1 ZINC000483402208 996153812 /nfs/dbraw/zinc/15/38/12/996153812.db2.gz ZBBUXCJIFKCHAH-LEWJYISDSA-N 1 2 406.505 3.861 20 30 HHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475609159 996245408 /nfs/dbraw/zinc/24/54/08/996245408.db2.gz QEVCBSILPAQUCX-XUZZJYLKSA-N 1 2 405.542 3.823 20 30 HHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000477072625 997722153 /nfs/dbraw/zinc/72/21/53/997722153.db2.gz FIKWTOKSPFLICE-KUNJGFBQSA-N 1 2 401.557 3.671 20 30 HHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000477072625 997722161 /nfs/dbraw/zinc/72/21/61/997722161.db2.gz FIKWTOKSPFLICE-KUNJGFBQSA-N 1 2 401.557 3.671 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000478306904 998877362 /nfs/dbraw/zinc/87/73/62/998877362.db2.gz JDCPFJFTIHZYHC-DEOSSOPVSA-N 1 2 419.504 3.802 20 30 HHEDLO C[N@H+](CCO)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C ZINC000488517854 999515125 /nfs/dbraw/zinc/51/51/25/999515125.db2.gz VOMFFLQLOBZPRA-BQYQJAHWSA-N 1 2 422.554 3.655 20 30 HHEDLO C[N@@H+](CCO)CC(=O)Nc1sc2c(c1C#N)C=C(/C=C/c1ccccn1)CC2(C)C ZINC000488517854 999515129 /nfs/dbraw/zinc/51/51/29/999515129.db2.gz VOMFFLQLOBZPRA-BQYQJAHWSA-N 1 2 422.554 3.655 20 30 HHEDLO C=CC[NH+]1CCC(N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)CC1 ZINC000491036126 1000037706 /nfs/dbraw/zinc/03/77/06/1000037706.db2.gz KVOSCAUKEVGFLN-JOCHJYFZSA-N 1 2 420.525 3.698 20 30 HHEDLO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCc1[nH]c[nH+]c1C ZINC000491161842 1000051403 /nfs/dbraw/zinc/05/14/03/1000051403.db2.gz MNMVURGNAMGXAM-UHFFFAOYSA-N 1 2 409.515 3.987 20 30 HHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000492514945 1000130237 /nfs/dbraw/zinc/13/02/37/1000130237.db2.gz PFJPCTZAQUQOGG-KRWDZBQOSA-N 1 2 417.282 3.856 20 30 HHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000492514945 1000130239 /nfs/dbraw/zinc/13/02/39/1000130239.db2.gz PFJPCTZAQUQOGG-KRWDZBQOSA-N 1 2 417.282 3.856 20 30 HHEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494829586 1000681948 /nfs/dbraw/zinc/68/19/48/1000681948.db2.gz OUBAFFSGJLEGRJ-IAGOWNOFSA-N 1 2 410.518 3.642 20 30 HHEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494829586 1000681951 /nfs/dbraw/zinc/68/19/51/1000681951.db2.gz OUBAFFSGJLEGRJ-IAGOWNOFSA-N 1 2 410.518 3.642 20 30 HHEDLO CC1(C)C[N@H+](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1 ZINC000505515178 1000854129 /nfs/dbraw/zinc/85/41/29/1000854129.db2.gz LWDCLVFUAFVNTJ-UHFFFAOYSA-N 1 2 409.555 3.691 20 30 HHEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCO1 ZINC000505515178 1000854169 /nfs/dbraw/zinc/85/41/69/1000854169.db2.gz LWDCLVFUAFVNTJ-UHFFFAOYSA-N 1 2 409.555 3.691 20 30 HHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n2)CC1 ZINC000505729581 1000996282 /nfs/dbraw/zinc/99/62/82/1000996282.db2.gz NLGMKTJOTAFVKO-HXUWFJFHSA-N 1 2 406.552 3.575 20 30 HHEDLO N#C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505933336 1001110430 /nfs/dbraw/zinc/11/04/30/1001110430.db2.gz HYPPOCPDBCPHLK-RTBURBONSA-N 1 2 404.297 3.575 20 30 HHEDLO N#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(Cl)c(Cl)c1 ZINC000505933336 1001110436 /nfs/dbraw/zinc/11/04/36/1001110436.db2.gz HYPPOCPDBCPHLK-RTBURBONSA-N 1 2 404.297 3.575 20 30 HHEDLO N#Cc1cccc(F)c1CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000506036157 1001179962 /nfs/dbraw/zinc/17/99/62/1001179962.db2.gz WXSCSNNJXXHDMH-UHFFFAOYSA-N 1 2 406.486 3.893 20 30 HHEDLO N#Cc1cccc(F)c1CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000506036157 1001179966 /nfs/dbraw/zinc/17/99/66/1001179966.db2.gz WXSCSNNJXXHDMH-UHFFFAOYSA-N 1 2 406.486 3.893 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OCc1ccccc1 ZINC000506250126 1001307016 /nfs/dbraw/zinc/30/70/16/1001307016.db2.gz XJQYMKGHQGQGQL-UHFFFAOYSA-N 1 2 414.509 3.863 20 30 HHEDLO C=CCc1cc(C[N@H+](C)CC(=O)Nc2ccccc2Br)cc(OC)c1O ZINC000506750879 1001513523 /nfs/dbraw/zinc/51/35/23/1001513523.db2.gz HMYOLFXBJRCGBQ-UHFFFAOYSA-N 1 2 419.319 3.962 20 30 HHEDLO C=CCc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cc(OC)c1O ZINC000506750879 1001513526 /nfs/dbraw/zinc/51/35/26/1001513526.db2.gz HMYOLFXBJRCGBQ-UHFFFAOYSA-N 1 2 419.319 3.962 20 30 HHEDLO N#Cc1ccc(NCC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000497881698 1001548525 /nfs/dbraw/zinc/54/85/25/1001548525.db2.gz RZDUNPAEXHEXLS-UHFFFAOYSA-N 1 2 422.492 3.593 20 30 HHEDLO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnn1-c1ccc(C)cc1 ZINC000507396063 1002047204 /nfs/dbraw/zinc/04/72/04/1002047204.db2.gz BFMLIDSBZHFEDC-JTSKRJEESA-N 1 2 414.513 3.602 20 30 HHEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1C ZINC000507817618 1002363768 /nfs/dbraw/zinc/36/37/68/1002363768.db2.gz CVQULXNHEFSGDO-GOSISDBHSA-N 1 2 409.530 3.910 20 30 HHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000507840368 1002380913 /nfs/dbraw/zinc/38/09/13/1002380913.db2.gz FWDFSYLHMDILNB-NRFANRHFSA-N 1 2 422.483 3.905 20 30 HHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000507849998 1002388975 /nfs/dbraw/zinc/38/89/75/1002388975.db2.gz UWBNVOAKKOMARZ-UHFFFAOYSA-N 1 2 405.414 3.560 20 30 HHEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000499033142 1002410633 /nfs/dbraw/zinc/41/06/33/1002410633.db2.gz YGYNLOOCURKITD-OXJNMPFZSA-N 1 2 413.543 3.693 20 30 HHEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1 ZINC000499033142 1002410638 /nfs/dbraw/zinc/41/06/38/1002410638.db2.gz YGYNLOOCURKITD-OXJNMPFZSA-N 1 2 413.543 3.693 20 30 HHEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1OC ZINC000508672480 1003111979 /nfs/dbraw/zinc/11/19/79/1003111979.db2.gz VUGQJMYMFXJXGZ-UHFFFAOYSA-N 1 2 424.257 3.912 20 30 HHEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000508825670 1003248743 /nfs/dbraw/zinc/24/87/43/1003248743.db2.gz KVVVUTZOLTXNFI-UHFFFAOYSA-N 1 2 416.451 3.800 20 30 HHEDLO CN(CC(F)(F)F)C(=O)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000499937661 1003260278 /nfs/dbraw/zinc/26/02/78/1003260278.db2.gz HOEWRVKCQWOSCI-UHFFFAOYSA-N 1 2 400.338 3.987 20 30 HHEDLO C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508849974 1003270981 /nfs/dbraw/zinc/27/09/81/1003270981.db2.gz SOCYBBMAMFHAQB-UHFFFAOYSA-N 1 2 402.955 3.507 20 30 HHEDLO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000508859519 1003279521 /nfs/dbraw/zinc/27/95/21/1003279521.db2.gz WCEHTJOPYLHKDL-VQTJNVASSA-N 1 2 417.504 3.867 20 30 HHEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508876421 1003296418 /nfs/dbraw/zinc/29/64/18/1003296418.db2.gz XRLKYPLDOORHHJ-UHFFFAOYSA-N 1 2 400.939 3.563 20 30 HHEDLO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508882511 1003304382 /nfs/dbraw/zinc/30/43/82/1003304382.db2.gz YLVKBEDDILGYSV-LJQANCHMSA-N 1 2 421.545 3.526 20 30 HHEDLO C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000509010535 1003481478 /nfs/dbraw/zinc/48/14/78/1003481478.db2.gz JRJMVBUBADSBMR-UHFFFAOYSA-N 1 2 411.937 3.818 20 30 HHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000509423881 1003851991 /nfs/dbraw/zinc/85/19/91/1003851991.db2.gz OKRCATDZZJEECF-QFIPXVFZSA-N 1 2 419.916 3.607 20 30 HHEDLO Cc1cc(C)n(-c2cccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000509865097 1004161320 /nfs/dbraw/zinc/16/13/20/1004161320.db2.gz BHGZRPFQLSTUJX-UHFFFAOYSA-N 1 2 414.513 3.711 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512551549 1004378866 /nfs/dbraw/zinc/37/88/66/1004378866.db2.gz FERYTNADXGEYAZ-KSSFIOAISA-N 1 2 415.481 3.656 20 30 HHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000512551549 1004378877 /nfs/dbraw/zinc/37/88/77/1004378877.db2.gz FERYTNADXGEYAZ-KSSFIOAISA-N 1 2 415.481 3.656 20 30 HHEDLO COc1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512802523 1004567619 /nfs/dbraw/zinc/56/76/19/1004567619.db2.gz UXLWCLAUMGHJQD-UHFFFAOYSA-N 1 2 423.488 3.529 20 30 HHEDLO N#CCCn1cc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)c(-c2ccccc2)n1 ZINC000501695916 1004613796 /nfs/dbraw/zinc/61/37/96/1004613796.db2.gz IPHMUEHSUATFKS-UHFFFAOYSA-N 1 2 409.497 3.779 20 30 HHEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000512946259 1004717068 /nfs/dbraw/zinc/71/70/68/1004717068.db2.gz ABUONLQLBMSVNK-HNNXBMFYSA-N 1 2 416.422 3.789 20 30 HHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC000510754137 1004833743 /nfs/dbraw/zinc/83/37/43/1004833743.db2.gz TUSDLVRDLFZCLM-PGRDOPGGSA-N 1 2 421.545 3.860 20 30 HHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC000510754137 1004833748 /nfs/dbraw/zinc/83/37/48/1004833748.db2.gz TUSDLVRDLFZCLM-PGRDOPGGSA-N 1 2 421.545 3.860 20 30 HHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC000510754138 1004833871 /nfs/dbraw/zinc/83/38/71/1004833871.db2.gz TUSDLVRDLFZCLM-XMSQKQJNSA-N 1 2 421.545 3.860 20 30 HHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)cc1 ZINC000510754138 1004833875 /nfs/dbraw/zinc/83/38/75/1004833875.db2.gz TUSDLVRDLFZCLM-XMSQKQJNSA-N 1 2 421.545 3.860 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)CCc2nccs2)c1C#N ZINC000510790147 1004853505 /nfs/dbraw/zinc/85/35/05/1004853505.db2.gz LYDHDRNZGLXSGK-UHFFFAOYSA-N 1 2 411.506 3.674 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)CCc2nccs2)c1C#N ZINC000510790147 1004853508 /nfs/dbraw/zinc/85/35/08/1004853508.db2.gz LYDHDRNZGLXSGK-UHFFFAOYSA-N 1 2 411.506 3.674 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)cc1 ZINC000511140281 1005041010 /nfs/dbraw/zinc/04/10/10/1005041010.db2.gz JEDZDEYCVXFEQL-OAQYLSRUSA-N 1 2 404.482 3.894 20 30 HHEDLO Cn1ccnc1[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000513661297 1005071406 /nfs/dbraw/zinc/07/14/06/1005071406.db2.gz NQFRQLXPJRZQJK-FQEVSTJZSA-N 1 2 407.499 3.812 20 30 HHEDLO N#C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513667969 1005074480 /nfs/dbraw/zinc/07/44/80/1005074480.db2.gz XVCFYHSSDQZQEJ-RXFWQSSRSA-N 1 2 422.488 3.784 20 30 HHEDLO N#C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513667969 1005074486 /nfs/dbraw/zinc/07/44/86/1005074486.db2.gz XVCFYHSSDQZQEJ-RXFWQSSRSA-N 1 2 422.488 3.784 20 30 HHEDLO N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)c1 ZINC000511269984 1005100409 /nfs/dbraw/zinc/10/04/09/1005100409.db2.gz HXZRUPPYGIVCCA-UHFFFAOYSA-N 1 2 419.460 3.636 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000513788074 1005127452 /nfs/dbraw/zinc/12/74/52/1005127452.db2.gz KLEGOWJLPKYYKT-KRWDZBQOSA-N 1 2 415.584 3.547 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000513788074 1005127455 /nfs/dbraw/zinc/12/74/55/1005127455.db2.gz KLEGOWJLPKYYKT-KRWDZBQOSA-N 1 2 415.584 3.547 20 30 HHEDLO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3C#N)CC2)c(OC)c1OC ZINC000514518390 1006017273 /nfs/dbraw/zinc/01/72/73/1006017273.db2.gz CAKKOYBJIMNDTM-UHFFFAOYSA-N 1 2 401.894 3.560 20 30 HHEDLO COC(=O)c1cccc(C[NH+]2CCC([C@H]3c4ccc(Cl)cc4NC3=O)CC2)c1C#N ZINC000534475024 1006462229 /nfs/dbraw/zinc/46/22/29/1006462229.db2.gz URCJEOQQIUKKCX-NRFANRHFSA-N 1 2 423.900 3.946 20 30 HHEDLO N#Cc1cccc(OCC[NH+]2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC000515539033 1006523531 /nfs/dbraw/zinc/52/35/31/1006523531.db2.gz DVOJOJIQTDQTHC-UHFFFAOYSA-N 1 2 406.349 3.579 20 30 HHEDLO CC1CC(C#N)(C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000531984160 1006559846 /nfs/dbraw/zinc/55/98/46/1006559846.db2.gz BYGKHBPPXACQEZ-UHFFFAOYSA-N 1 2 417.553 3.877 20 30 HHEDLO CCCCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000532556799 1006990508 /nfs/dbraw/zinc/99/05/08/1006990508.db2.gz BBCXJDOHBHBKCA-KRWDZBQOSA-N 1 2 416.591 3.648 20 30 HHEDLO C=CC[N@@H+](Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1)Cc1ccccc1 ZINC000532900148 1007277292 /nfs/dbraw/zinc/27/72/92/1007277292.db2.gz FEFWRNXXXJYRRB-UHFFFAOYSA-N 1 2 412.559 3.782 20 30 HHEDLO C=CC[N@H+](Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1)Cc1ccccc1 ZINC000532900148 1007277300 /nfs/dbraw/zinc/27/73/00/1007277300.db2.gz FEFWRNXXXJYRRB-UHFFFAOYSA-N 1 2 412.559 3.782 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1cccc(C#N)c1 ZINC000532926227 1007298354 /nfs/dbraw/zinc/29/83/54/1007298354.db2.gz ASCCBTFKYHCHOH-QFIPXVFZSA-N 1 2 419.525 3.927 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1cccc(C#N)c1 ZINC000532926227 1007298358 /nfs/dbraw/zinc/29/83/58/1007298358.db2.gz ASCCBTFKYHCHOH-QFIPXVFZSA-N 1 2 419.525 3.927 20 30 HHEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000535476272 1007537501 /nfs/dbraw/zinc/53/75/01/1007537501.db2.gz ZXOYIPIBADJCNW-UHFFFAOYSA-N 1 2 404.333 3.735 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCC[C@@H](CO)C3)sc2C1 ZINC000533234680 1007555892 /nfs/dbraw/zinc/55/58/92/1007555892.db2.gz PDMNLAFOVBSIPR-HZPDHXFCSA-N 1 2 403.592 3.804 20 30 HHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCC[C@@H](CO)C3)sc2C1 ZINC000533234680 1007555909 /nfs/dbraw/zinc/55/59/09/1007555909.db2.gz PDMNLAFOVBSIPR-HZPDHXFCSA-N 1 2 403.592 3.804 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000533287352 1007598847 /nfs/dbraw/zinc/59/88/47/1007598847.db2.gz BSHHDRZQNNABQL-OAHLLOKOSA-N 1 2 408.889 3.954 20 30 HHEDLO COCCCOC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533292811 1007607649 /nfs/dbraw/zinc/60/76/49/1007607649.db2.gz XBGKTFONGXKNJF-MRXNPFEDSA-N 1 2 419.591 3.733 20 30 HHEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000533358693 1007666662 /nfs/dbraw/zinc/66/66/62/1007666662.db2.gz NVTZPDBQUKJOLD-MRXNPFEDSA-N 1 2 411.527 3.795 20 30 HHEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1 ZINC000533358693 1007666668 /nfs/dbraw/zinc/66/66/68/1007666668.db2.gz NVTZPDBQUKJOLD-MRXNPFEDSA-N 1 2 411.527 3.795 20 30 HHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000533432358 1007746073 /nfs/dbraw/zinc/74/60/73/1007746073.db2.gz WGHAJFUTWVGRHP-RTBURBONSA-N 1 2 423.586 3.793 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533506972 1007821647 /nfs/dbraw/zinc/82/16/47/1007821647.db2.gz WEOFCGZPFJXESO-OAHLLOKOSA-N 1 2 411.462 3.627 20 30 HHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000533506972 1007821655 /nfs/dbraw/zinc/82/16/55/1007821655.db2.gz WEOFCGZPFJXESO-OAHLLOKOSA-N 1 2 411.462 3.627 20 30 HHEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1C#N ZINC000535965651 1008001233 /nfs/dbraw/zinc/00/12/33/1008001233.db2.gz BTKUISFOQFLASU-IBGZPJMESA-N 1 2 406.486 3.521 20 30 HHEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1C#N ZINC000535965651 1008001238 /nfs/dbraw/zinc/00/12/38/1008001238.db2.gz BTKUISFOQFLASU-IBGZPJMESA-N 1 2 406.486 3.521 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000533935050 1008217099 /nfs/dbraw/zinc/21/70/99/1008217099.db2.gz UGWNIZMNFYEADZ-IBGZPJMESA-N 1 2 401.413 3.562 20 30 HHEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000533935050 1008217102 /nfs/dbraw/zinc/21/71/02/1008217102.db2.gz UGWNIZMNFYEADZ-IBGZPJMESA-N 1 2 401.413 3.562 20 30 HHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540037620 1008250430 /nfs/dbraw/zinc/25/04/30/1008250430.db2.gz TXGFUKCPPVXSGW-UHFFFAOYSA-N 1 2 415.266 3.997 20 30 HHEDLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(-c4cccc(C#N)c4)o3)ccc2NC1=O ZINC000540459700 1008440486 /nfs/dbraw/zinc/44/04/86/1008440486.db2.gz XVQMKZSLVARUJL-SCLBCKFNSA-N 1 2 403.442 3.569 20 30 HHEDLO N#Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cnc1C(F)(F)F ZINC000549170275 1008743066 /nfs/dbraw/zinc/74/30/66/1008743066.db2.gz KTJYDLGREQQASS-UHFFFAOYSA-N 1 2 422.838 3.974 20 30 HHEDLO N#Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cnc1C(F)(F)F ZINC000549170275 1008743080 /nfs/dbraw/zinc/74/30/80/1008743080.db2.gz KTJYDLGREQQASS-UHFFFAOYSA-N 1 2 422.838 3.974 20 30 HHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)c1ccco1 ZINC000543487795 1009076910 /nfs/dbraw/zinc/07/69/10/1009076910.db2.gz QRXPZZCHUFBQNH-FQEVSTJZSA-N 1 2 406.486 3.534 20 30 HHEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543541565 1009133572 /nfs/dbraw/zinc/13/35/72/1009133572.db2.gz DERVNBVFHAVKNW-KBPBESRZSA-N 1 2 419.323 3.739 20 30 HHEDLO Cc1nc(N2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)CC2)cc[nH+]1 ZINC000546115332 1009140187 /nfs/dbraw/zinc/14/01/87/1009140187.db2.gz MWZYJNLNVLCDQE-UHFFFAOYSA-N 1 2 413.481 3.606 20 30 HHEDLO CC(C)[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cc(Br)ccc1F ZINC000520173603 1009319388 /nfs/dbraw/zinc/31/93/88/1009319388.db2.gz RNVVHYQXUHEQBN-UHFFFAOYSA-N 1 2 418.310 3.987 20 30 HHEDLO CC(C)[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1cc(Br)ccc1F ZINC000520173603 1009319399 /nfs/dbraw/zinc/31/93/99/1009319399.db2.gz RNVVHYQXUHEQBN-UHFFFAOYSA-N 1 2 418.310 3.987 20 30 HHEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000520347938 1009485103 /nfs/dbraw/zinc/48/51/03/1009485103.db2.gz CSRVHAYDRIGPMT-SFHVURJKSA-N 1 2 401.869 3.510 20 30 HHEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000520347938 1009485113 /nfs/dbraw/zinc/48/51/13/1009485113.db2.gz CSRVHAYDRIGPMT-SFHVURJKSA-N 1 2 401.869 3.510 20 30 HHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)c(C)n1 ZINC000520547461 1009632821 /nfs/dbraw/zinc/63/28/21/1009632821.db2.gz JOAWQNBNPIEWME-UHFFFAOYSA-N 1 2 403.486 3.590 20 30 HHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1nnc2ccccn21 ZINC000544484070 1010108459 /nfs/dbraw/zinc/10/84/59/1010108459.db2.gz XQJGETWLRPJTOG-KGLIPLIRSA-N 1 2 408.531 3.609 20 30 HHEDLO N#Cc1ccc(Oc2ccc(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)cc2)nc1 ZINC000521109048 1010129296 /nfs/dbraw/zinc/12/92/96/1010129296.db2.gz DGCVUZNKKQALDM-UHFFFAOYSA-N 1 2 409.449 3.920 20 30 HHEDLO C=CCc1ccc(OCc2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c(OC)c1 ZINC000544988466 1010538455 /nfs/dbraw/zinc/53/84/55/1010538455.db2.gz RNQSSUBCDVUVDM-UHFFFAOYSA-N 1 2 421.497 3.885 20 30 HHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000548866240 1010747934 /nfs/dbraw/zinc/74/79/34/1010747934.db2.gz HCNNFCHJHYMINB-UHFFFAOYSA-N 1 2 401.489 3.952 20 30 HHEDLO N#Cc1cccc(C2(NCC(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000551713662 1010756931 /nfs/dbraw/zinc/75/69/31/1010756931.db2.gz HYVLAWRMOZZIEE-QFIPXVFZSA-N 1 2 422.960 3.744 20 30 HHEDLO N#Cc1cccc(C2([NH2+]CC(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)CC2)c1 ZINC000551713662 1010756938 /nfs/dbraw/zinc/75/69/38/1010756938.db2.gz HYVLAWRMOZZIEE-QFIPXVFZSA-N 1 2 422.960 3.744 20 30 HHEDLO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541117874 1011770103 /nfs/dbraw/zinc/77/01/03/1011770103.db2.gz RAYHPMMZCPAPAU-GOSISDBHSA-N 1 2 406.530 3.696 20 30 HHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000536884136 1012133199 /nfs/dbraw/zinc/13/31/99/1012133199.db2.gz BNOBYQWVYMSUGU-UHFFFAOYSA-N 1 2 411.505 3.987 20 30 HHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000552313461 1012325055 /nfs/dbraw/zinc/32/50/55/1012325055.db2.gz GTELNBIGPZJNDI-GHTZIAJQSA-N 1 2 405.498 3.594 20 30 HHEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCc3cn4c([nH+]3)CCCC4)c2)c1 ZINC000524025786 1012773132 /nfs/dbraw/zinc/77/31/32/1012773132.db2.gz HCNMOIQXQGFWGO-UHFFFAOYSA-N 1 2 414.469 3.665 20 30 HHEDLO COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000542090848 1013014938 /nfs/dbraw/zinc/01/49/38/1013014938.db2.gz RALWYNWOOSTLTM-HXUWFJFHSA-N 1 2 417.431 3.609 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542094214 1013022861 /nfs/dbraw/zinc/02/28/61/1013022861.db2.gz YKHRDVPDTPGTGI-TZIWHRDSSA-N 1 2 413.443 3.959 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542094214 1013022872 /nfs/dbraw/zinc/02/28/72/1013022872.db2.gz YKHRDVPDTPGTGI-TZIWHRDSSA-N 1 2 413.443 3.959 20 30 HHEDLO N#CCOc1cccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000760530302 1072555895 /nfs/dbraw/zinc/55/58/95/1072555895.db2.gz FJIPAVUZGDCSTQ-IBGZPJMESA-N 1 2 415.896 3.705 20 30 HHEDLO N#CCOc1cccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000760530302 1072555900 /nfs/dbraw/zinc/55/59/00/1072555900.db2.gz FJIPAVUZGDCSTQ-IBGZPJMESA-N 1 2 415.896 3.705 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1C#N ZINC000479115042 1072750965 /nfs/dbraw/zinc/75/09/65/1072750965.db2.gz JDTNTWKYILLDIB-HXUWFJFHSA-N 1 2 402.498 3.873 20 30 HHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c1C#N ZINC000479115042 1072750975 /nfs/dbraw/zinc/75/09/75/1072750975.db2.gz JDTNTWKYILLDIB-HXUWFJFHSA-N 1 2 402.498 3.873 20 30 HHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ncc(C#N)cc1C ZINC000555883447 1073939820 /nfs/dbraw/zinc/93/98/20/1073939820.db2.gz RLXDLMNUOPUHBT-UHFFFAOYSA-N 1 2 403.486 3.590 20 30 HHEDLO C=CCN1CC(=O)N(C[C@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)C1=O ZINC000761003832 1075150606 /nfs/dbraw/zinc/15/06/06/1075150606.db2.gz JFISOUJNNDJWJK-GOSISDBHSA-N 1 2 415.946 3.951 20 30 HHEDLO C=CCN1CC(=O)N(C[C@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)C1=O ZINC000761003832 1075150608 /nfs/dbraw/zinc/15/06/08/1075150608.db2.gz JFISOUJNNDJWJK-GOSISDBHSA-N 1 2 415.946 3.951 20 30 HHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C#N)c1F)CC2 ZINC001164664190 719349541 /nfs/dbraw/zinc/34/95/41/719349541.db2.gz TZXGPYDPGUUXGH-UHFFFAOYSA-N 1 2 416.504 3.787 20 30 HHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C#N)c1F)CC2 ZINC001164664190 719349545 /nfs/dbraw/zinc/34/95/45/719349545.db2.gz TZXGPYDPGUUXGH-UHFFFAOYSA-N 1 2 416.504 3.787 20 30 HHEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c2ccccc21 ZINC000302960966 971421795 /nfs/dbraw/zinc/42/17/95/971421795.db2.gz DUUNHGJTCVSUEG-UHFFFAOYSA-N 1 2 420.538 3.694 20 30 HHEDLO C=C(C)[C@H](CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1)OCC ZINC000553154637 1013114039 /nfs/dbraw/zinc/11/40/39/1013114039.db2.gz ISJLTYHUZFKHDS-INIZCTEOSA-N 1 2 410.312 3.639 20 30 HHEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303690671 971966342 /nfs/dbraw/zinc/96/63/42/971966342.db2.gz PPVZAZJIIYGCGK-NSHDSACASA-N 1 2 400.338 3.989 20 30 HHEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000303690671 971966347 /nfs/dbraw/zinc/96/63/47/971966347.db2.gz PPVZAZJIIYGCGK-NSHDSACASA-N 1 2 400.338 3.989 20 30 HHEDLO COc1ccc(Br)cc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000007266333 961095236 /nfs/dbraw/zinc/09/52/36/961095236.db2.gz KYSJBROQAKNBKD-CYBMUJFWSA-N 1 2 402.292 3.788 20 30 HHEDLO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000007266333 961095259 /nfs/dbraw/zinc/09/52/59/961095259.db2.gz KYSJBROQAKNBKD-CYBMUJFWSA-N 1 2 402.292 3.788 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008318625 961515923 /nfs/dbraw/zinc/51/59/23/961515923.db2.gz JSOODXYQIGZVSS-GOSISDBHSA-N 1 2 409.511 3.849 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008318625 961515936 /nfs/dbraw/zinc/51/59/36/961515936.db2.gz JSOODXYQIGZVSS-GOSISDBHSA-N 1 2 409.511 3.849 20 30 HHEDLO COc1ccccc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000008490695 961548179 /nfs/dbraw/zinc/54/81/79/961548179.db2.gz FTMCJUXBMHSWHS-UHFFFAOYSA-N 1 2 406.486 3.697 20 30 HHEDLO COc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000008490695 961548196 /nfs/dbraw/zinc/54/81/96/961548196.db2.gz FTMCJUXBMHSWHS-UHFFFAOYSA-N 1 2 406.486 3.697 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(-n4cnc5ccccc54)cc3)CC2)cc1 ZINC000017843579 963234383 /nfs/dbraw/zinc/23/43/83/963234383.db2.gz NZBCXFZBMBEMDH-UHFFFAOYSA-N 1 2 421.504 3.855 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000017842954 963234493 /nfs/dbraw/zinc/23/44/93/963234493.db2.gz RYOGCLWUMITEJF-UHFFFAOYSA-N 1 2 402.523 3.569 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000017843241 963234706 /nfs/dbraw/zinc/23/47/06/963234706.db2.gz KJOMBPQWJFICOP-UHFFFAOYSA-N 1 2 404.297 3.588 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000018144665 963278394 /nfs/dbraw/zinc/27/83/94/963278394.db2.gz NQRVVYJZGZMEMQ-UHFFFAOYSA-N 1 2 420.460 3.971 20 30 HHEDLO Cc1cc(Br)cn2c(CN3CCN(Cc4ccccc4)[C@H](C#N)C3)c[nH+]c12 ZINC000542467008 1013414783 /nfs/dbraw/zinc/41/47/83/1013414783.db2.gz REBRPNSMUMAQLX-LJQANCHMSA-N 1 2 424.346 3.615 20 30 HHEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000021670900 963517734 /nfs/dbraw/zinc/51/77/34/963517734.db2.gz PWOJGNGFWHWBPA-GOSISDBHSA-N 1 2 414.550 3.695 20 30 HHEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000021670900 963517737 /nfs/dbraw/zinc/51/77/37/963517737.db2.gz PWOJGNGFWHWBPA-GOSISDBHSA-N 1 2 414.550 3.695 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1Cl ZINC000537857081 1013426861 /nfs/dbraw/zinc/42/68/61/1013426861.db2.gz JUCCSUFZZJYIHX-OAHLLOKOSA-N 1 2 424.810 3.717 20 30 HHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1Cl ZINC000537857081 1013426866 /nfs/dbraw/zinc/42/68/66/1013426866.db2.gz JUCCSUFZZJYIHX-OAHLLOKOSA-N 1 2 424.810 3.717 20 30 HHEDLO N#Cc1ccc(OC2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)c(F)c1 ZINC000553540438 1013436780 /nfs/dbraw/zinc/43/67/80/1013436780.db2.gz NLBJARSUDKJANG-UHFFFAOYSA-N 1 2 404.445 3.626 20 30 HHEDLO C=CCn1c2nn(C[N@@H+](C)[C@@H]3CCc4ccccc43)c(=S)n2c2ccccc2c1=O ZINC000022757997 963709808 /nfs/dbraw/zinc/70/98/08/963709808.db2.gz JBSZTGRUNBIYFU-LJQANCHMSA-N 1 2 417.538 3.943 20 30 HHEDLO C=CCn1c2nn(C[N@H+](C)[C@@H]3CCc4ccccc43)c(=S)n2c2ccccc2c1=O ZINC000022757997 963709813 /nfs/dbraw/zinc/70/98/13/963709813.db2.gz JBSZTGRUNBIYFU-LJQANCHMSA-N 1 2 417.538 3.943 20 30 HHEDLO C=CCc1cc(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)cc(OC)c1OC ZINC000024083412 963936949 /nfs/dbraw/zinc/93/69/49/963936949.db2.gz RIKLWCYSCHPZAV-UHFFFAOYSA-N 1 2 424.541 3.707 20 30 HHEDLO Cc1cc(N)nc(SCC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)[nH+]1 ZINC000024570101 964021116 /nfs/dbraw/zinc/02/11/16/964021116.db2.gz AJPHBGSEFLLHOJ-UHFFFAOYSA-N 1 2 418.526 3.639 20 30 HHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1OC(F)F ZINC000026452830 964568094 /nfs/dbraw/zinc/56/80/94/964568094.db2.gz XSIPGYDBULFVPN-UHFFFAOYSA-N 1 2 421.469 3.983 20 30 HHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1OC(F)F ZINC000026452830 964568104 /nfs/dbraw/zinc/56/81/04/964568104.db2.gz XSIPGYDBULFVPN-UHFFFAOYSA-N 1 2 421.469 3.983 20 30 HHEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000027538158 964915629 /nfs/dbraw/zinc/91/56/29/964915629.db2.gz SRKMEEXSWPOFIT-MRXNPFEDSA-N 1 2 416.447 3.722 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000052560352 964930382 /nfs/dbraw/zinc/93/03/82/964930382.db2.gz WJXCRIRBCFZYRL-UHFFFAOYSA-N 1 2 412.449 3.905 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000052702600 964957162 /nfs/dbraw/zinc/95/71/62/964957162.db2.gz NABVAAJNMIFNHK-GOSISDBHSA-N 1 2 415.603 3.874 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1C#N ZINC000029122271 965275239 /nfs/dbraw/zinc/27/52/39/965275239.db2.gz XDEPVJLGKWRETJ-UHFFFAOYSA-N 1 2 422.529 3.933 20 30 HHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1C#N ZINC000029122271 965275251 /nfs/dbraw/zinc/27/52/51/965275251.db2.gz XDEPVJLGKWRETJ-UHFFFAOYSA-N 1 2 422.529 3.933 20 30 HHEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)c2=S)CC1 ZINC000029436514 965379881 /nfs/dbraw/zinc/37/98/81/965379881.db2.gz AUDGHGBKGHPFDM-UHFFFAOYSA-N 1 2 417.582 3.895 20 30 HHEDLO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC000030217990 965634961 /nfs/dbraw/zinc/63/49/61/965634961.db2.gz VTFSBFZWUMVNLD-UHFFFAOYSA-N 1 2 403.511 3.727 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542691237 1013610190 /nfs/dbraw/zinc/61/01/90/1013610190.db2.gz FPUUTOFHJYQLDS-HNNXBMFYSA-N 1 2 421.339 3.829 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000542691237 1013610194 /nfs/dbraw/zinc/61/01/94/1013610194.db2.gz FPUUTOFHJYQLDS-HNNXBMFYSA-N 1 2 421.339 3.829 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542691237 1013610197 /nfs/dbraw/zinc/61/01/97/1013610197.db2.gz FPUUTOFHJYQLDS-HNNXBMFYSA-N 1 2 421.339 3.829 20 30 HHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000542691237 1013610201 /nfs/dbraw/zinc/61/02/01/1013610201.db2.gz FPUUTOFHJYQLDS-HNNXBMFYSA-N 1 2 421.339 3.829 20 30 HHEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000031254646 965953871 /nfs/dbraw/zinc/95/38/71/965953871.db2.gz UTLGWSCCJIERPE-KRWDZBQOSA-N 1 2 403.548 3.635 20 30 HHEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000031254646 965953877 /nfs/dbraw/zinc/95/38/77/965953877.db2.gz UTLGWSCCJIERPE-KRWDZBQOSA-N 1 2 403.548 3.635 20 30 HHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054300 1013628811 /nfs/dbraw/zinc/62/88/11/1013628811.db2.gz PZJLXBLGAADEBC-PMACEKPBSA-N 1 2 400.885 3.985 20 30 HHEDLO CC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054300 1013628817 /nfs/dbraw/zinc/62/88/17/1013628817.db2.gz PZJLXBLGAADEBC-PMACEKPBSA-N 1 2 400.885 3.985 20 30 HHEDLO Cc1nc(SCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C#N)c(C)c1C ZINC000042036665 966693780 /nfs/dbraw/zinc/69/37/80/966693780.db2.gz QOOJVKUCRRYKGO-UHFFFAOYSA-N 1 2 405.527 3.532 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000042101114 966718062 /nfs/dbraw/zinc/71/80/62/966718062.db2.gz SDQASABMTZUUJV-GOSISDBHSA-N 1 2 413.591 3.768 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000042101116 966718306 /nfs/dbraw/zinc/71/83/06/966718306.db2.gz SDQASABMTZUUJV-SFHVURJKSA-N 1 2 413.591 3.768 20 30 HHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1cccc(C#N)c1 ZINC000063299900 966807454 /nfs/dbraw/zinc/80/74/54/966807454.db2.gz LUOKUMJWVNPYLN-QHCPKHFHSA-N 1 2 419.525 3.927 20 30 HHEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1cccc(C#N)c1 ZINC000063299900 966807461 /nfs/dbraw/zinc/80/74/61/966807461.db2.gz LUOKUMJWVNPYLN-QHCPKHFHSA-N 1 2 419.525 3.927 20 30 HHEDLO Cc1nc(SCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c(C#N)c(C)c1C ZINC000063656961 966919334 /nfs/dbraw/zinc/91/93/34/966919334.db2.gz SMOQYMSHPJUQHA-UHFFFAOYSA-N 1 2 421.526 3.885 20 30 HHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1Br)OCCO2 ZINC000063754376 966947642 /nfs/dbraw/zinc/94/76/42/966947642.db2.gz QFNDMQGCQAHHNC-UHFFFAOYSA-N 1 2 417.303 3.741 20 30 HHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1Br)OCCO2 ZINC000063754376 966947649 /nfs/dbraw/zinc/94/76/49/966947649.db2.gz QFNDMQGCQAHHNC-UHFFFAOYSA-N 1 2 417.303 3.741 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)CC2)cc1 ZINC000064694526 967271238 /nfs/dbraw/zinc/27/12/38/967271238.db2.gz CIJPTVYKAFVQRL-UHFFFAOYSA-N 1 2 423.944 3.604 20 30 HHEDLO N#Cc1ccncc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000553966621 1013728095 /nfs/dbraw/zinc/72/80/95/1013728095.db2.gz ULEZJAIWCNHCTR-UHFFFAOYSA-N 1 2 406.486 3.779 20 30 HHEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cc2)C[C@@H](C)O1 ZINC000553985947 1013738046 /nfs/dbraw/zinc/73/80/46/1013738046.db2.gz KVIAYZQZGUAXGF-HLIPFELVSA-N 1 2 402.498 3.673 20 30 HHEDLO Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000554014432 1013754189 /nfs/dbraw/zinc/75/41/89/1013754189.db2.gz YNPIWRNGTPAOAQ-QKLQHJQFSA-N 1 2 402.498 3.971 20 30 HHEDLO Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nc21 ZINC000554014432 1013754196 /nfs/dbraw/zinc/75/41/96/1013754196.db2.gz YNPIWRNGTPAOAQ-QKLQHJQFSA-N 1 2 402.498 3.971 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)o2)cc1 ZINC000542945769 1013778805 /nfs/dbraw/zinc/77/88/05/1013778805.db2.gz VBNDFLHNFZXSNO-HNNXBMFYSA-N 1 2 402.380 3.661 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)o2)cc1 ZINC000542945769 1013778808 /nfs/dbraw/zinc/77/88/08/1013778808.db2.gz VBNDFLHNFZXSNO-HNNXBMFYSA-N 1 2 402.380 3.661 20 30 HHEDLO C=CCCOCCCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000538302244 1013836347 /nfs/dbraw/zinc/83/63/47/1013836347.db2.gz XLVZRLXWSVFLPA-UHFFFAOYSA-N 1 2 418.969 3.785 20 30 HHEDLO C=CCCOCCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000538302244 1013836353 /nfs/dbraw/zinc/83/63/53/1013836353.db2.gz XLVZRLXWSVFLPA-UHFFFAOYSA-N 1 2 418.969 3.785 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000261369411 970627859 /nfs/dbraw/zinc/62/78/59/970627859.db2.gz PLDUFQXJJNWNMO-KRWDZBQOSA-N 1 2 412.555 3.952 20 30 HHEDLO Cc1cc(C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1ccco1 ZINC000428796154 976073035 /nfs/dbraw/zinc/07/30/35/976073035.db2.gz UXPBEUQHMQKTIZ-RXVVDRJESA-N 1 2 418.497 3.737 20 30 HHEDLO Cc1cc(C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)n1Cc1ccco1 ZINC000428796154 976073050 /nfs/dbraw/zinc/07/30/50/976073050.db2.gz UXPBEUQHMQKTIZ-RXVVDRJESA-N 1 2 418.497 3.737 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)nc1 ZINC000428807597 976085888 /nfs/dbraw/zinc/08/58/88/976085888.db2.gz RHHBXNCLOHJTEK-AWEZNQCLSA-N 1 2 424.810 3.717 20 30 HHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)nc1 ZINC000428807597 976085901 /nfs/dbraw/zinc/08/59/01/976085901.db2.gz RHHBXNCLOHJTEK-AWEZNQCLSA-N 1 2 424.810 3.717 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1 ZINC000429115050 976396943 /nfs/dbraw/zinc/39/69/43/976396943.db2.gz INNILRWMGXVGCS-GOSISDBHSA-N 1 2 406.960 3.852 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1 ZINC000429115050 976396955 /nfs/dbraw/zinc/39/69/55/976396955.db2.gz INNILRWMGXVGCS-GOSISDBHSA-N 1 2 406.960 3.852 20 30 HHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000429836114 977106769 /nfs/dbraw/zinc/10/67/69/977106769.db2.gz GAKZIKMIWQGVQT-IBGZPJMESA-N 1 2 405.523 3.712 20 30 HHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000429836114 977106774 /nfs/dbraw/zinc/10/67/74/977106774.db2.gz GAKZIKMIWQGVQT-IBGZPJMESA-N 1 2 405.523 3.712 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)nc1 ZINC000430179765 977373681 /nfs/dbraw/zinc/37/36/81/977373681.db2.gz ROLJHJOLQGOESJ-GOSISDBHSA-N 1 2 407.455 3.638 20 30 HHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)nc1 ZINC000430179765 977373685 /nfs/dbraw/zinc/37/36/85/977373685.db2.gz ROLJHJOLQGOESJ-GOSISDBHSA-N 1 2 407.455 3.638 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1Cl ZINC000430251398 977420550 /nfs/dbraw/zinc/42/05/50/977420550.db2.gz DBWJTIGOMLBZPI-FGSXEWAUSA-N 1 2 419.953 3.554 20 30 HHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)ccc1Cl ZINC000430251398 977420557 /nfs/dbraw/zinc/42/05/57/977420557.db2.gz DBWJTIGOMLBZPI-FGSXEWAUSA-N 1 2 419.953 3.554 20 30 HHEDLO C=CCN1C(=O)N(CCc2[nH+]ccn2Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430803374 977766761 /nfs/dbraw/zinc/76/67/61/977766761.db2.gz SXWLSBPXRNNLNJ-QFIPXVFZSA-N 1 2 414.509 3.535 20 30 HHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302928 979225361 /nfs/dbraw/zinc/22/53/61/979225361.db2.gz ZDXWNTSHWARDHD-KRWDZBQOSA-N 1 2 405.889 3.825 20 30 HHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433302928 979225367 /nfs/dbraw/zinc/22/53/67/979225367.db2.gz ZDXWNTSHWARDHD-KRWDZBQOSA-N 1 2 405.889 3.825 20 30 HHEDLO Cc1cc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)nn1-c1cccc(C#N)c1 ZINC000433974836 979727358 /nfs/dbraw/zinc/72/73/58/979727358.db2.gz QNGRGUFRMDRUPW-UHFFFAOYSA-N 1 2 414.513 3.605 20 30 HHEDLO Cc1ccn(C2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2)n1 ZINC000434510724 980221055 /nfs/dbraw/zinc/22/10/55/980221055.db2.gz XPQBFFPXGFJGQU-UHFFFAOYSA-N 1 2 416.529 3.746 20 30 HHEDLO CCn1nccc1C1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000434752532 980379388 /nfs/dbraw/zinc/37/93/88/980379388.db2.gz NLJXGBZZSCZJAH-QGZVFWFLSA-N 1 2 411.575 3.973 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000435756894 981017984 /nfs/dbraw/zinc/01/79/84/981017984.db2.gz VYHOJJJBQWGUMU-SFHVURJKSA-N 1 2 409.511 3.849 20 30 HHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000435756894 981017986 /nfs/dbraw/zinc/01/79/86/981017986.db2.gz VYHOJJJBQWGUMU-SFHVURJKSA-N 1 2 409.511 3.849 20 30 HHEDLO C=CCn1c(C)cc(C(=O)C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1C ZINC000435890028 981079048 /nfs/dbraw/zinc/07/90/48/981079048.db2.gz RHLVLHWFSSKFQY-PGRDOPGGSA-N 1 2 402.560 3.546 20 30 HHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000436469762 981390633 /nfs/dbraw/zinc/39/06/33/981390633.db2.gz FQVJWKAFCFHXAX-HSZRJFAPSA-N 1 2 410.949 3.559 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437773982 982348211 /nfs/dbraw/zinc/34/82/11/982348211.db2.gz MXVDWEHAMIQOEE-XLNTUCKNSA-N 1 2 409.933 3.895 20 30 HHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000437773982 982348214 /nfs/dbraw/zinc/34/82/14/982348214.db2.gz MXVDWEHAMIQOEE-XLNTUCKNSA-N 1 2 409.933 3.895 20 30 HHEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000437980941 982504599 /nfs/dbraw/zinc/50/45/99/982504599.db2.gz AXQCESFZDMALDQ-UYAOXDASSA-N 1 2 402.926 3.730 20 30 HHEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000437980934 982504801 /nfs/dbraw/zinc/50/48/01/982504801.db2.gz AXQCESFZDMALDQ-AZUAARDMSA-N 1 2 402.926 3.730 20 30 HHEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1NC(=O)CC(C)C ZINC000460818790 982570721 /nfs/dbraw/zinc/57/07/21/982570721.db2.gz QRWFZHGMKREQGE-UHFFFAOYSA-N 1 2 418.541 3.809 20 30 HHEDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438312960 982716698 /nfs/dbraw/zinc/71/66/98/982716698.db2.gz LJQAHAHZNJTCGP-MHJFOBGBSA-N 1 2 413.905 3.671 20 30 HHEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1 ZINC000438666863 982985641 /nfs/dbraw/zinc/98/56/41/982985641.db2.gz IZRLNWWXOSUJPX-UHFFFAOYSA-N 1 2 412.465 3.722 20 30 HHEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCO1 ZINC000438666863 982985643 /nfs/dbraw/zinc/98/56/43/982985643.db2.gz IZRLNWWXOSUJPX-UHFFFAOYSA-N 1 2 412.465 3.722 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3CNC(=O)Nc3ccccc3)o2)cc1 ZINC000438701006 983012022 /nfs/dbraw/zinc/01/20/22/983012022.db2.gz NNIWIEJEEYJEPQ-FQEVSTJZSA-N 1 2 416.485 3.784 20 30 HHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CNC(=O)Nc3ccccc3)o2)cc1 ZINC000438701006 983012029 /nfs/dbraw/zinc/01/20/29/983012029.db2.gz NNIWIEJEEYJEPQ-FQEVSTJZSA-N 1 2 416.485 3.784 20 30 HHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000439812207 983547721 /nfs/dbraw/zinc/54/77/21/983547721.db2.gz SOKBSPHSAPLJQT-MGPUTAFESA-N 1 2 411.937 3.683 20 30 HHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000439812207 983547722 /nfs/dbraw/zinc/54/77/22/983547722.db2.gz SOKBSPHSAPLJQT-MGPUTAFESA-N 1 2 411.937 3.683 20 30 HHEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000440059466 983627980 /nfs/dbraw/zinc/62/79/80/983627980.db2.gz FERBBWACRMHHIH-HXUWFJFHSA-N 1 2 423.941 3.853 20 30 HHEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000462190618 985172684 /nfs/dbraw/zinc/17/26/84/985172684.db2.gz MLWVLOJHCQQEEI-HSZRJFAPSA-N 1 2 412.917 3.991 20 30 HHEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(Cl)c1 ZINC000444035290 986232192 /nfs/dbraw/zinc/23/21/92/986232192.db2.gz JHKANFBHMPCHGV-UHFFFAOYSA-N 1 2 407.948 3.561 20 30 HHEDLO C[C@H](c1nccs1)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000468534503 986240499 /nfs/dbraw/zinc/24/04/99/986240499.db2.gz BVSVFYRGZPMTTG-GOSISDBHSA-N 1 2 406.559 3.799 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000463590504 986567119 /nfs/dbraw/zinc/56/71/19/986567119.db2.gz KGLJTMJHYNHOBW-TZIWHRDSSA-N 1 2 402.441 3.713 20 30 HHEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000463590504 986567130 /nfs/dbraw/zinc/56/71/30/986567130.db2.gz KGLJTMJHYNHOBW-TZIWHRDSSA-N 1 2 402.441 3.713 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(-c4cccnc4)c3)CC2)cc1 ZINC000464128686 988247613 /nfs/dbraw/zinc/24/76/13/988247613.db2.gz GMAASWKGPHUMPE-UHFFFAOYSA-N 1 2 411.509 3.648 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)C2 ZINC000470845688 988923739 /nfs/dbraw/zinc/92/37/39/988923739.db2.gz SRESLMRRCHIKIR-KRWDZBQOSA-N 1 2 419.529 3.860 20 30 HHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3c(c1)CCC(=O)N3CCCC#N)CC2 ZINC000470845688 988923748 /nfs/dbraw/zinc/92/37/48/988923748.db2.gz SRESLMRRCHIKIR-KRWDZBQOSA-N 1 2 419.529 3.860 20 30 HHEDLO CC[N@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000470966810 989030840 /nfs/dbraw/zinc/03/08/40/989030840.db2.gz KVNQCOANNHPKEP-INIZCTEOSA-N 1 2 407.543 3.975 20 30 HHEDLO CC[N@@H+](Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000470966810 989030847 /nfs/dbraw/zinc/03/08/47/989030847.db2.gz KVNQCOANNHPKEP-INIZCTEOSA-N 1 2 407.543 3.975 20 30 HHEDLO Cc1ccc([C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c2ccccn2)cc1 ZINC000471082725 989178065 /nfs/dbraw/zinc/17/80/65/989178065.db2.gz JTVVTHRPPMUSJH-DEOSSOPVSA-N 1 2 422.492 3.765 20 30 HHEDLO CCCCOc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OCC ZINC000471825317 990004450 /nfs/dbraw/zinc/00/44/50/990004450.db2.gz JMWOFTWWKCTKEF-UHFFFAOYSA-N 1 2 411.550 3.500 20 30 HHEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)n1 ZINC000471901978 990072302 /nfs/dbraw/zinc/07/23/02/990072302.db2.gz VJAZXFBWCQTBFU-KRWDZBQOSA-N 1 2 420.904 3.956 20 30 HHEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000466727358 992038134 /nfs/dbraw/zinc/03/81/34/992038134.db2.gz HWCIYRVOOYHXCK-UHFFFAOYSA-N 1 2 421.632 3.687 20 30 HHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)c1 ZINC000466818561 992126708 /nfs/dbraw/zinc/12/67/08/992126708.db2.gz BEENWWFZHHRQTA-UHFFFAOYSA-N 1 2 420.904 3.643 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccc(COC)o2)cc1 ZINC000467017195 992324520 /nfs/dbraw/zinc/32/45/20/992324520.db2.gz PLCCUNNCBCADAD-NRFANRHFSA-N 1 2 411.502 3.908 20 30 HHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccc(COC)o2)cc1 ZINC000467017195 992324533 /nfs/dbraw/zinc/32/45/33/992324533.db2.gz PLCCUNNCBCADAD-NRFANRHFSA-N 1 2 411.502 3.908 20 30 HHEDLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 ZINC000467115884 992429956 /nfs/dbraw/zinc/42/99/56/992429956.db2.gz FENICHNSKGVDSF-YLJYHZDGSA-N 1 2 411.502 3.907 20 30 HHEDLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)o1 ZINC000467115884 992429961 /nfs/dbraw/zinc/42/99/61/992429961.db2.gz FENICHNSKGVDSF-YLJYHZDGSA-N 1 2 411.502 3.907 20 30 HHEDLO COCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(C#N)cc1 ZINC000472243896 993271640 /nfs/dbraw/zinc/27/16/40/993271640.db2.gz SDPXSSUAEYQZJA-UHFFFAOYSA-N 1 2 400.482 3.758 20 30 HHEDLO COCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(C#N)cc1 ZINC000472243896 993271644 /nfs/dbraw/zinc/27/16/44/993271644.db2.gz SDPXSSUAEYQZJA-UHFFFAOYSA-N 1 2 400.482 3.758 20 30 HHEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472312067 993323775 /nfs/dbraw/zinc/32/37/75/993323775.db2.gz JBOPMOCJTLIUFA-VQIMIIECSA-N 1 2 402.857 3.926 20 30 HHEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472312067 993323782 /nfs/dbraw/zinc/32/37/82/993323782.db2.gz JBOPMOCJTLIUFA-VQIMIIECSA-N 1 2 402.857 3.926 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000472356347 993356267 /nfs/dbraw/zinc/35/62/67/993356267.db2.gz QCXALEGAQRACPE-NRFANRHFSA-N 1 2 411.550 3.517 20 30 HHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000472356347 993356270 /nfs/dbraw/zinc/35/62/70/993356270.db2.gz QCXALEGAQRACPE-NRFANRHFSA-N 1 2 411.550 3.517 20 30 HHEDLO N#Cc1ccnc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC000480890457 993750492 /nfs/dbraw/zinc/75/04/92/993750492.db2.gz FIOAXUNDYLVEPW-UHFFFAOYSA-N 1 2 406.486 3.779 20 30 HHEDLO C=CCCCCNC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000472932328 993861392 /nfs/dbraw/zinc/86/13/92/993861392.db2.gz USXBYFZOXDZMCN-UHFFFAOYSA-N 1 2 411.525 3.703 20 30 HHEDLO N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3cc4sccc4s3)CC2)cc1 ZINC000473058815 993979486 /nfs/dbraw/zinc/97/94/86/993979486.db2.gz LCNIXNJRIKVDAI-UHFFFAOYSA-N 1 2 424.551 3.621 20 30 HHEDLO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481397308 994229275 /nfs/dbraw/zinc/22/92/75/994229275.db2.gz CLJLKGVKFQJXFC-ZUOKHONESA-N 1 2 423.517 3.687 20 30 HHEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c2ccccc21 ZINC000473432622 994283196 /nfs/dbraw/zinc/28/31/96/994283196.db2.gz KSCNNWGOAOSCEE-UHFFFAOYSA-N 1 2 419.500 3.946 20 30 HHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000473561917 994426530 /nfs/dbraw/zinc/42/65/30/994426530.db2.gz KBOWJXGUWYHJOP-NRFANRHFSA-N 1 2 405.889 3.548 20 30 HHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000473568751 994436404 /nfs/dbraw/zinc/43/64/04/994436404.db2.gz MLKLVADVHNAZGJ-QFIPXVFZSA-N 1 2 419.916 3.857 20 30 HHEDLO Cc1ccc(C)c(C(=O)CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000482534918 995543248 /nfs/dbraw/zinc/54/32/48/995543248.db2.gz OGVPJRZRMWKBNG-UHFFFAOYSA-N 1 2 403.526 3.941 20 30 HHEDLO CCc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482548914 995556420 /nfs/dbraw/zinc/55/64/20/995556420.db2.gz HSHBQNMDVXKDDR-UHFFFAOYSA-N 1 2 403.526 3.886 20 30 HHEDLO CC1(C)C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc2O1 ZINC000482915500 995844841 /nfs/dbraw/zinc/84/48/41/995844841.db2.gz BAIYKKLHAJBKSE-NRFANRHFSA-N 1 2 422.504 3.827 20 30 HHEDLO CC1(C)C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc2O1 ZINC000482915501 995844994 /nfs/dbraw/zinc/84/49/94/995844994.db2.gz BAIYKKLHAJBKSE-OAQYLSRUSA-N 1 2 422.504 3.827 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)Cc2cnccc2C)c1C#N ZINC000483012509 995919046 /nfs/dbraw/zinc/91/90/46/995919046.db2.gz FRHCKFUHBWZFSV-UHFFFAOYSA-N 1 2 405.477 3.879 20 30 HHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)Cc2cnccc2C)c1C#N ZINC000483012509 995919052 /nfs/dbraw/zinc/91/90/52/995919052.db2.gz FRHCKFUHBWZFSV-UHFFFAOYSA-N 1 2 405.477 3.879 20 30 HHEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](CO)c3c(Cl)cccc3Cl)C2=O)cc1 ZINC000483229562 996049672 /nfs/dbraw/zinc/04/96/72/996049672.db2.gz BONMRSYVXOMVRH-QZTJIDSGSA-N 1 2 404.297 3.684 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000475737678 996336723 /nfs/dbraw/zinc/33/67/23/996336723.db2.gz MOBUBEVAASKDHT-ADXZGYQBSA-N 1 2 411.571 3.981 20 30 HHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1C ZINC000475737678 996336730 /nfs/dbraw/zinc/33/67/30/996336730.db2.gz MOBUBEVAASKDHT-ADXZGYQBSA-N 1 2 411.571 3.981 20 30 HHEDLO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000483921957 996470325 /nfs/dbraw/zinc/47/03/25/996470325.db2.gz YKHGXJMLAVNUGZ-UHFFFAOYSA-N 1 2 412.578 3.867 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485655992 998103857 /nfs/dbraw/zinc/10/38/57/998103857.db2.gz IRKWXKKFEMBIQG-CTNGQTDRSA-N 1 2 401.482 3.631 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485655992 998103865 /nfs/dbraw/zinc/10/38/65/998103865.db2.gz IRKWXKKFEMBIQG-CTNGQTDRSA-N 1 2 401.482 3.631 20 30 HHEDLO C=CCSc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000485766255 998240161 /nfs/dbraw/zinc/24/01/61/998240161.db2.gz JOAAXRILJSVDPN-UHFFFAOYSA-N 1 2 409.555 3.798 20 30 HHEDLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1 ZINC000486242836 998670812 /nfs/dbraw/zinc/67/08/12/998670812.db2.gz OSOXPLURNXBHGH-QGZVFWFLSA-N 1 2 423.586 3.741 20 30 HHEDLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)c1 ZINC000486251852 998676277 /nfs/dbraw/zinc/67/62/77/998676277.db2.gz OVIIVZLAHZCNTE-SFHVURJKSA-N 1 2 409.559 3.545 20 30 HHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2ncsc2c1 ZINC000486256373 998679864 /nfs/dbraw/zinc/67/98/64/998679864.db2.gz LIKWGCNYPLYJHU-INIZCTEOSA-N 1 2 405.527 3.756 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C(=O)C4CCC4)cc3)CC2)cc1 ZINC000487020594 999038463 /nfs/dbraw/zinc/03/84/63/999038463.db2.gz JZFVZIZOKILLON-UHFFFAOYSA-N 1 2 402.498 3.891 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488973554 999661463 /nfs/dbraw/zinc/66/14/63/999661463.db2.gz GCFJFWCOCIUVII-SJORKVTESA-N 1 2 403.523 3.729 20 30 HHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488973554 999661465 /nfs/dbraw/zinc/66/14/65/999661465.db2.gz GCFJFWCOCIUVII-SJORKVTESA-N 1 2 403.523 3.729 20 30 HHEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4ncc(C(F)(F)F)[nH]4)CC3)C2=O)cc1 ZINC000490043562 999883792 /nfs/dbraw/zinc/88/37/92/999883792.db2.gz YTCWKOFYFOBSGC-QGZVFWFLSA-N 1 2 417.435 3.675 20 30 HHEDLO Cn1cc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491114604 1000047138 /nfs/dbraw/zinc/04/71/38/1000047138.db2.gz QANRFUMPKROIDR-UHFFFAOYSA-N 1 2 405.546 3.573 20 30 HHEDLO Cn1cc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491183116 1000052953 /nfs/dbraw/zinc/05/29/53/1000052953.db2.gz QZHWVWCXNGLTBG-UHFFFAOYSA-N 1 2 405.546 3.573 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000494949041 1000748024 /nfs/dbraw/zinc/74/80/24/1000748024.db2.gz LETRMJONGQFQQL-SONOPUAISA-N 1 2 411.571 3.808 20 30 HHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1 ZINC000494949041 1000748029 /nfs/dbraw/zinc/74/80/29/1000748029.db2.gz LETRMJONGQFQQL-SONOPUAISA-N 1 2 411.571 3.808 20 30 HHEDLO N#Cc1cccc(NCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000494992588 1000767068 /nfs/dbraw/zinc/76/70/68/1000767068.db2.gz AGWFHOUBDVHZEH-LJQANCHMSA-N 1 2 400.885 3.543 20 30 HHEDLO N#Cc1cccc(NCC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000494992588 1000767070 /nfs/dbraw/zinc/76/70/70/1000767070.db2.gz AGWFHOUBDVHZEH-LJQANCHMSA-N 1 2 400.885 3.543 20 30 HHEDLO N#Cc1ccc(OCc2ccc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)o2)cc1 ZINC000505477048 1000801691 /nfs/dbraw/zinc/80/16/91/1000801691.db2.gz QOACCOXFMSYAPM-OAQYLSRUSA-N 1 2 405.429 3.656 20 30 HHEDLO C=CCc1ccc(OCC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)c(OC)c1 ZINC000505494154 1000821983 /nfs/dbraw/zinc/82/19/83/1000821983.db2.gz LJOQNKFCDDEVKR-LJQANCHMSA-N 1 2 424.541 3.717 20 30 HHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H](C)O1 ZINC000495086787 1000826796 /nfs/dbraw/zinc/82/67/96/1000826796.db2.gz JHLGELFRHZTDSS-HDICACEKSA-N 1 2 415.497 3.605 20 30 HHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H](C)O1 ZINC000495086787 1000826819 /nfs/dbraw/zinc/82/68/19/1000826819.db2.gz JHLGELFRHZTDSS-HDICACEKSA-N 1 2 415.497 3.605 20 30 HHEDLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[NH2+]1 ZINC000505515782 1000855670 /nfs/dbraw/zinc/85/56/70/1000855670.db2.gz NTKAGJBIKLDCRG-NRFANRHFSA-N 1 2 417.465 3.526 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000505593846 1000925683 /nfs/dbraw/zinc/92/56/83/1000925683.db2.gz OIFQUBTXIJIKJF-RTWAWAEBSA-N 1 2 413.468 3.584 20 30 HHEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000505593846 1000925691 /nfs/dbraw/zinc/92/56/91/1000925691.db2.gz OIFQUBTXIJIKJF-RTWAWAEBSA-N 1 2 413.468 3.584 20 30 HHEDLO CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000505872351 1001072541 /nfs/dbraw/zinc/07/25/41/1001072541.db2.gz MLGQLYPESYFVOZ-UHFFFAOYSA-N 1 2 404.363 3.630 20 30 HHEDLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)n2)c(OC)c1 ZINC000506137802 1001242832 /nfs/dbraw/zinc/24/28/32/1001242832.db2.gz UNBUXEHJICMRSE-UHFFFAOYSA-N 1 2 422.510 3.769 20 30 HHEDLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)n2)c(OC)c1 ZINC000506137802 1001242838 /nfs/dbraw/zinc/24/28/38/1001242838.db2.gz UNBUXEHJICMRSE-UHFFFAOYSA-N 1 2 422.510 3.769 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 ZINC000506385208 1001389791 /nfs/dbraw/zinc/38/97/91/1001389791.db2.gz YZWCTMVCKFTOAF-UHFFFAOYSA-N 1 2 402.441 3.811 20 30 HHEDLO C=CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1OC ZINC000506615924 1001472270 /nfs/dbraw/zinc/47/22/70/1001472270.db2.gz CDJLTVMFJBVCRH-JOCHJYFZSA-N 1 2 406.526 3.809 20 30 HHEDLO C=CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1OC ZINC000506615924 1001472273 /nfs/dbraw/zinc/47/22/73/1001472273.db2.gz CDJLTVMFJBVCRH-JOCHJYFZSA-N 1 2 406.526 3.809 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000498847417 1002232470 /nfs/dbraw/zinc/23/24/70/1002232470.db2.gz XPSWJAQRAPDRGT-NHCUHLMSSA-N 1 2 400.906 3.707 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000498847417 1002232475 /nfs/dbraw/zinc/23/24/75/1002232475.db2.gz XPSWJAQRAPDRGT-NHCUHLMSSA-N 1 2 400.906 3.707 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000498847419 1002232584 /nfs/dbraw/zinc/23/25/84/1002232584.db2.gz XPSWJAQRAPDRGT-SFTDATJTSA-N 1 2 400.906 3.707 20 30 HHEDLO C=CCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000498847419 1002232589 /nfs/dbraw/zinc/23/25/89/1002232589.db2.gz XPSWJAQRAPDRGT-SFTDATJTSA-N 1 2 400.906 3.707 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498928426 1002325675 /nfs/dbraw/zinc/32/56/75/1002325675.db2.gz IZDDLTZWVDOOSS-KRWDZBQOSA-N 1 2 412.405 3.967 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498928426 1002325689 /nfs/dbraw/zinc/32/56/89/1002325689.db2.gz IZDDLTZWVDOOSS-KRWDZBQOSA-N 1 2 412.405 3.967 20 30 HHEDLO N#Cc1ccc(OC2CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000508149539 1002685097 /nfs/dbraw/zinc/68/50/97/1002685097.db2.gz SMGPMAVQGRZYFV-UHFFFAOYSA-N 1 2 415.497 3.556 20 30 HHEDLO CCCOc1cc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1OC ZINC000508645055 1003092255 /nfs/dbraw/zinc/09/22/55/1003092255.db2.gz JMIJLPHYSUWJDM-UHFFFAOYSA-N 1 2 422.485 3.926 20 30 HHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(Cl)cc2)C1 ZINC000499934163 1003256868 /nfs/dbraw/zinc/25/68/68/1003256868.db2.gz VTCUIDGSVAMWOL-RTBURBONSA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(F)cc2C#N)c2ccc(Cl)cc2)C1 ZINC000499934163 1003256873 /nfs/dbraw/zinc/25/68/73/1003256873.db2.gz VTCUIDGSVAMWOL-RTBURBONSA-N 1 2 402.857 3.544 20 30 HHEDLO CC(C)Cn1ncc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C(C)C ZINC000499990201 1003305559 /nfs/dbraw/zinc/30/55/59/1003305559.db2.gz UCPBTYFPODRPJG-UHFFFAOYSA-N 1 2 408.550 3.884 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)c1 ZINC000500160302 1003514222 /nfs/dbraw/zinc/51/42/22/1003514222.db2.gz BYTNYCZMOVZDNZ-UHFFFAOYSA-N 1 2 406.910 3.946 20 30 HHEDLO C=CC[N@@H+](Cc1c(Cl)cccc1C(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000509671191 1004018246 /nfs/dbraw/zinc/01/82/46/1004018246.db2.gz OFPWJXRTWNXQSH-OAHLLOKOSA-N 1 2 411.893 3.852 20 30 HHEDLO C=CC[N@H+](Cc1c(Cl)cccc1C(=O)OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000509671191 1004018263 /nfs/dbraw/zinc/01/82/63/1004018263.db2.gz OFPWJXRTWNXQSH-OAHLLOKOSA-N 1 2 411.893 3.852 20 30 HHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)o1 ZINC000512107079 1004027835 /nfs/dbraw/zinc/02/78/35/1004027835.db2.gz RWNOZSLPTYLADI-UHFFFAOYSA-N 1 2 412.449 3.905 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000512176610 1004078577 /nfs/dbraw/zinc/07/85/77/1004078577.db2.gz CYJCVEVJLLXWHX-NRFANRHFSA-N 1 2 404.457 3.619 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000512176610 1004078584 /nfs/dbraw/zinc/07/85/84/1004078584.db2.gz CYJCVEVJLLXWHX-NRFANRHFSA-N 1 2 404.457 3.619 20 30 HHEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 ZINC000500974207 1004088920 /nfs/dbraw/zinc/08/89/20/1004088920.db2.gz ORSFRWFRLGFCIY-UHFFFAOYSA-N 1 2 413.525 3.730 20 30 HHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000512195103 1004096595 /nfs/dbraw/zinc/09/65/95/1004096595.db2.gz KBKCHKNHSDYZKR-LJQANCHMSA-N 1 2 408.420 3.974 20 30 HHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000512195103 1004096598 /nfs/dbraw/zinc/09/65/98/1004096598.db2.gz KBKCHKNHSDYZKR-LJQANCHMSA-N 1 2 408.420 3.974 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000501121416 1004218662 /nfs/dbraw/zinc/21/86/62/1004218662.db2.gz NZYPNCTVMLHWES-SFTDATJTSA-N 1 2 419.472 3.583 20 30 HHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000501121416 1004218674 /nfs/dbraw/zinc/21/86/74/1004218674.db2.gz NZYPNCTVMLHWES-SFTDATJTSA-N 1 2 419.472 3.583 20 30 HHEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000501422639 1004411442 /nfs/dbraw/zinc/41/14/42/1004411442.db2.gz DSWUBMASCHRJEG-KRWDZBQOSA-N 1 2 413.275 3.536 20 30 HHEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](CO)c1cccc(Br)c1 ZINC000501422639 1004411451 /nfs/dbraw/zinc/41/14/51/1004411451.db2.gz DSWUBMASCHRJEG-KRWDZBQOSA-N 1 2 413.275 3.536 20 30 HHEDLO N#Cc1c(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cn2ccccc12 ZINC000510568761 1004712433 /nfs/dbraw/zinc/71/24/33/1004712433.db2.gz HEAVVLRDAXSVKJ-QFIPXVFZSA-N 1 2 400.526 3.914 20 30 HHEDLO N#Cc1c(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)cn2ccccc12 ZINC000510568761 1004712436 /nfs/dbraw/zinc/71/24/36/1004712436.db2.gz HEAVVLRDAXSVKJ-QFIPXVFZSA-N 1 2 400.526 3.914 20 30 HHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCN(c4ccccc4C#N)CC3)n2)C1 ZINC000510630519 1004764505 /nfs/dbraw/zinc/76/45/05/1004764505.db2.gz UXUXXZQPMHILRE-KRWDZBQOSA-N 1 2 424.574 3.601 20 30 HHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCN(c4ccccc4C#N)CC3)n2)C1 ZINC000510630519 1004764506 /nfs/dbraw/zinc/76/45/06/1004764506.db2.gz UXUXXZQPMHILRE-KRWDZBQOSA-N 1 2 424.574 3.601 20 30 HHEDLO N#Cc1ccc(C[N@@H+](CCNS(=O)(=O)c2ccccc2)Cc2cccc(F)c2)cc1 ZINC000513410522 1004951130 /nfs/dbraw/zinc/95/11/30/1004951130.db2.gz CXPJDNBAVCFUGN-UHFFFAOYSA-N 1 2 423.513 3.678 20 30 HHEDLO N#Cc1ccc(C[N@H+](CCNS(=O)(=O)c2ccccc2)Cc2cccc(F)c2)cc1 ZINC000513410522 1004951137 /nfs/dbraw/zinc/95/11/37/1004951137.db2.gz CXPJDNBAVCFUGN-UHFFFAOYSA-N 1 2 423.513 3.678 20 30 HHEDLO N#C[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513582280 1005035425 /nfs/dbraw/zinc/03/54/25/1005035425.db2.gz KWEKGFJYHVDMMQ-IERDGZPVSA-N 1 2 415.415 3.820 20 30 HHEDLO N#C[C@@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000513582280 1005035431 /nfs/dbraw/zinc/03/54/31/1005035431.db2.gz KWEKGFJYHVDMMQ-IERDGZPVSA-N 1 2 415.415 3.820 20 30 HHEDLO C=CCOc1ccc(C[NH+]2CCC(CC(=O)N3CCN(CC)CC3)CC2)cc1Cl ZINC000513679754 1005079167 /nfs/dbraw/zinc/07/91/67/1005079167.db2.gz ZOGYPOPWQXNJRF-UHFFFAOYSA-N 1 2 419.997 3.671 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000513785563 1005125683 /nfs/dbraw/zinc/12/56/83/1005125683.db2.gz OTMGMQQVBLGZOP-XMMPIXPASA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000513785563 1005125685 /nfs/dbraw/zinc/12/56/85/1005125685.db2.gz OTMGMQQVBLGZOP-XMMPIXPASA-N 1 2 402.519 3.980 20 30 HHEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000513791873 1005129384 /nfs/dbraw/zinc/12/93/84/1005129384.db2.gz WKUJSJALVHQJQN-UHFFFAOYSA-N 1 2 411.552 3.821 20 30 HHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1C(=O)OC ZINC000513890213 1005174815 /nfs/dbraw/zinc/17/48/15/1005174815.db2.gz JDKAYBPADKXXOE-UHFFFAOYSA-N 1 2 417.303 3.756 20 30 HHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1C(=O)OC ZINC000513890213 1005174817 /nfs/dbraw/zinc/17/48/17/1005174817.db2.gz JDKAYBPADKXXOE-UHFFFAOYSA-N 1 2 417.303 3.756 20 30 HHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511574225 1005230367 /nfs/dbraw/zinc/23/03/67/1005230367.db2.gz PCVJSOYCUWKFHJ-UXHICEINSA-N 1 2 403.860 3.714 20 30 HHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511574225 1005230368 /nfs/dbraw/zinc/23/03/68/1005230368.db2.gz PCVJSOYCUWKFHJ-UXHICEINSA-N 1 2 403.860 3.714 20 30 HHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000515088562 1006281657 /nfs/dbraw/zinc/28/16/57/1006281657.db2.gz SOWRSZOCINQTDB-UHFFFAOYSA-N 1 2 414.509 3.880 20 30 HHEDLO CC(C)(C)[C@@H](NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000532157785 1006682386 /nfs/dbraw/zinc/68/23/86/1006682386.db2.gz TZFNHIAXDIWKOF-QFIPXVFZSA-N 1 2 410.587 3.641 20 30 HHEDLO COCCO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000534864873 1006890114 /nfs/dbraw/zinc/89/01/14/1006890114.db2.gz KHCIBDRHIGFCHK-HXUWFJFHSA-N 1 2 416.566 3.548 20 30 HHEDLO COCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000534864873 1006890126 /nfs/dbraw/zinc/89/01/26/1006890126.db2.gz KHCIBDRHIGFCHK-HXUWFJFHSA-N 1 2 416.566 3.548 20 30 HHEDLO CCCCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000532556802 1006990399 /nfs/dbraw/zinc/99/03/99/1006990399.db2.gz BBCXJDOHBHBKCA-QGZVFWFLSA-N 1 2 416.591 3.648 20 30 HHEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560831 1006992612 /nfs/dbraw/zinc/99/26/12/1006992612.db2.gz ZMGIYZUGOCPCKA-HNNXBMFYSA-N 1 2 423.517 3.846 20 30 HHEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532560831 1006992617 /nfs/dbraw/zinc/99/26/17/1006992617.db2.gz ZMGIYZUGOCPCKA-HNNXBMFYSA-N 1 2 423.517 3.846 20 30 HHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CN3CCc4ccccc43)CC2)c(C#N)c1C ZINC000532576038 1007008050 /nfs/dbraw/zinc/00/80/50/1007008050.db2.gz GONZQEVBFGDWCB-KRWDZBQOSA-N 1 2 406.530 3.870 20 30 HHEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)ccc1OC ZINC000538736669 1007019463 /nfs/dbraw/zinc/01/94/63/1007019463.db2.gz VPYSFHZTORFQOM-UHFFFAOYSA-N 1 2 414.550 3.648 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(Br)o1 ZINC000532899163 1007276057 /nfs/dbraw/zinc/27/60/57/1007276057.db2.gz WENUIRSJTACNIU-ZDUSSCGKSA-N 1 2 408.271 3.948 20 30 HHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000532899163 1007276063 /nfs/dbraw/zinc/27/60/63/1007276063.db2.gz WENUIRSJTACNIU-ZDUSSCGKSA-N 1 2 408.271 3.948 20 30 HHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000532973700 1007344101 /nfs/dbraw/zinc/34/41/01/1007344101.db2.gz QFIXILVJAUUDHI-KRWDZBQOSA-N 1 2 423.586 3.601 20 30 HHEDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)c1 ZINC000532988962 1007360027 /nfs/dbraw/zinc/36/00/27/1007360027.db2.gz WOBNTHKWJXQYJF-UHFFFAOYSA-N 1 2 410.543 3.826 20 30 HHEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533074897 1007437291 /nfs/dbraw/zinc/43/72/91/1007437291.db2.gz JFVZQENETFBFMP-HXUWFJFHSA-N 1 2 411.527 3.673 20 30 HHEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000533074897 1007437296 /nfs/dbraw/zinc/43/72/96/1007437296.db2.gz JFVZQENETFBFMP-HXUWFJFHSA-N 1 2 411.527 3.673 20 30 HHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000533285156 1007597840 /nfs/dbraw/zinc/59/78/40/1007597840.db2.gz VNRAHICHBLYGKY-AHKGRUIUSA-N 1 2 420.582 3.766 20 30 HHEDLO COc1cc(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c(SC)cc1OC ZINC000533292690 1007607774 /nfs/dbraw/zinc/60/77/74/1007607774.db2.gz CCWVHBGEZAROLA-GOSISDBHSA-N 1 2 411.527 3.535 20 30 HHEDLO COc1cc(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c(SC)cc1OC ZINC000533292690 1007607776 /nfs/dbraw/zinc/60/77/76/1007607776.db2.gz CCWVHBGEZAROLA-GOSISDBHSA-N 1 2 411.527 3.535 20 30 HHEDLO CCOc1ccc(-c2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000533332292 1007641955 /nfs/dbraw/zinc/64/19/55/1007641955.db2.gz ZRCWXUUMEXQJEX-UHFFFAOYSA-N 1 2 402.498 3.930 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533422540 1007731077 /nfs/dbraw/zinc/73/10/77/1007731077.db2.gz OXVPHQVJVPKACO-UHFFFAOYSA-N 1 2 406.555 3.987 20 30 HHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533422540 1007731091 /nfs/dbraw/zinc/73/10/91/1007731091.db2.gz OXVPHQVJVPKACO-UHFFFAOYSA-N 1 2 406.555 3.987 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000533501859 1007813552 /nfs/dbraw/zinc/81/35/52/1007813552.db2.gz MTFRDKNGVIUQMA-UHFFFAOYSA-N 1 2 414.868 3.640 20 30 HHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000535820627 1007833193 /nfs/dbraw/zinc/83/31/93/1007833193.db2.gz HIVSHSMCLWRTBJ-HNNXBMFYSA-N 1 2 416.510 3.929 20 30 HHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000535820627 1007833214 /nfs/dbraw/zinc/83/32/14/1007833214.db2.gz HIVSHSMCLWRTBJ-HNNXBMFYSA-N 1 2 416.510 3.929 20 30 HHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000536016435 1008056188 /nfs/dbraw/zinc/05/61/88/1008056188.db2.gz CKNYIEGLKFLBQB-UHFFFAOYSA-N 1 2 402.523 3.893 20 30 HHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000536020409 1008058010 /nfs/dbraw/zinc/05/80/10/1008058010.db2.gz DEPFCARUUCCVMY-KRWDZBQOSA-N 1 2 414.600 3.899 20 30 HHEDLO Cc1nc(C(F)(F)F)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549010240 1008583174 /nfs/dbraw/zinc/58/31/74/1008583174.db2.gz SQEKASISVFLHGP-UHFFFAOYSA-N 1 2 403.408 3.630 20 30 HHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000549118503 1008686395 /nfs/dbraw/zinc/68/63/95/1008686395.db2.gz TZBDCTXATZDCBX-UHFFFAOYSA-N 1 2 400.276 3.544 20 30 HHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000549118503 1008686400 /nfs/dbraw/zinc/68/64/00/1008686400.db2.gz TZBDCTXATZDCBX-UHFFFAOYSA-N 1 2 400.276 3.544 20 30 HHEDLO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549270657 1008840313 /nfs/dbraw/zinc/84/03/13/1008840313.db2.gz IVRYONVBZQLFGJ-UHFFFAOYSA-N 1 2 402.546 3.801 20 30 HHEDLO Cc1cc(Br)cn2c(CN3CCN([C@H](C#N)c4ccccc4)CC3)c[nH+]c12 ZINC000543395404 1008986770 /nfs/dbraw/zinc/98/67/70/1008986770.db2.gz YKGJXIJSPSWCCE-HXUWFJFHSA-N 1 2 424.346 3.788 20 30 HHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1ccc(C)o1 ZINC000543486312 1009074945 /nfs/dbraw/zinc/07/49/45/1009074945.db2.gz LFDQCJSBEHHANQ-HXUWFJFHSA-N 1 2 424.476 3.922 20 30 HHEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3c(F)cc(C#N)cc3F)[nH+]c12 ZINC000546059713 1009083489 /nfs/dbraw/zinc/08/34/89/1009083489.db2.gz GVXOWTPEVYWAOY-UHFFFAOYSA-N 1 2 419.229 3.528 20 30 HHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)nc1C ZINC000543549692 1009152168 /nfs/dbraw/zinc/15/21/68/1009152168.db2.gz VJBFIYCFVIMKIB-RYUDHWBXSA-N 1 2 420.922 3.831 20 30 HHEDLO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000549807829 1009415765 /nfs/dbraw/zinc/41/57/65/1009415765.db2.gz FYUNJQCLAPIGAC-JOCHJYFZSA-N 1 2 420.948 3.920 20 30 HHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000544515898 1010140914 /nfs/dbraw/zinc/14/09/14/1010140914.db2.gz RGKQFSRLYFMROO-KGLIPLIRSA-N 1 2 421.339 3.963 20 30 HHEDLO C=CCc1ccc(OCC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c(OC)c1 ZINC000521319358 1010301816 /nfs/dbraw/zinc/30/18/16/1010301816.db2.gz QQLNWEHJQQBOSE-UHFFFAOYSA-N 1 2 411.889 3.958 20 30 HHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000521418553 1010364202 /nfs/dbraw/zinc/36/42/02/1010364202.db2.gz ACVHMOKRBABJQI-OALUTQOASA-N 1 2 402.857 3.544 20 30 HHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000521418553 1010364212 /nfs/dbraw/zinc/36/42/12/1010364212.db2.gz ACVHMOKRBABJQI-OALUTQOASA-N 1 2 402.857 3.544 20 30 HHEDLO N#Cc1cccc(C2([NH2+]Cc3nnnn3-c3ccc(Cl)cc3C(F)(F)F)CC2)c1 ZINC000551411457 1010569120 /nfs/dbraw/zinc/56/91/20/1010569120.db2.gz IPIXRRISCSCFHJ-UHFFFAOYSA-N 1 2 418.810 3.985 20 30 HHEDLO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548864906 1010748110 /nfs/dbraw/zinc/74/81/10/1010748110.db2.gz PMOVIZNSJVYPSN-OAHLLOKOSA-N 1 2 418.419 3.865 20 30 HHEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000522165384 1010842644 /nfs/dbraw/zinc/84/26/44/1010842644.db2.gz JPQCZKVHRRUWHL-UHFFFAOYSA-N 1 2 419.529 3.759 20 30 HHEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000522165384 1010842649 /nfs/dbraw/zinc/84/26/49/1010842649.db2.gz JPQCZKVHRRUWHL-UHFFFAOYSA-N 1 2 419.529 3.759 20 30 HHEDLO CC1(C)C[N@H+](CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCO1 ZINC000522636251 1011127957 /nfs/dbraw/zinc/12/79/57/1011127957.db2.gz SOVHWYKGXSCHRF-UHFFFAOYSA-N 1 2 413.905 3.845 20 30 HHEDLO CC1(C)C[N@@H+](CCNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCO1 ZINC000522636251 1011127961 /nfs/dbraw/zinc/12/79/61/1011127961.db2.gz SOVHWYKGXSCHRF-UHFFFAOYSA-N 1 2 413.905 3.845 20 30 HHEDLO C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000541098014 1011744129 /nfs/dbraw/zinc/74/41/29/1011744129.db2.gz FCMHBWTVPUVKHG-KSSFIOAISA-N 1 2 409.881 3.709 20 30 HHEDLO O=C(NCC(F)(F)F)C1CC[NH+](Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000551806486 1011964587 /nfs/dbraw/zinc/96/45/87/1011964587.db2.gz SRGDCNRWARPOAF-UHFFFAOYSA-N 1 2 402.310 3.615 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C3)cs1 ZINC000536786128 1012001250 /nfs/dbraw/zinc/00/12/50/1012001250.db2.gz XFLYPBHEVNDBSQ-UHFFFAOYSA-N 1 2 408.552 3.726 20 30 HHEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C3)cs1 ZINC000536786128 1012001268 /nfs/dbraw/zinc/00/12/68/1012001268.db2.gz XFLYPBHEVNDBSQ-UHFFFAOYSA-N 1 2 408.552 3.726 20 30 HHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1ccco1 ZINC000541627370 1012438653 /nfs/dbraw/zinc/43/86/53/1012438653.db2.gz VVNVTZNLVQGEDU-HXUWFJFHSA-N 1 2 418.497 3.737 20 30 HHEDLO CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000523795363 1012454971 /nfs/dbraw/zinc/45/49/71/1012454971.db2.gz OJFOXXPLCCTYOG-UHFFFAOYSA-N 1 2 424.520 3.520 20 30 HHEDLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(-c4ccc(C#N)cc4)o3)ccc2NC1=O ZINC000537155720 1012551673 /nfs/dbraw/zinc/55/16/73/1012551673.db2.gz ADLCSAHLUPLCRT-SCLBCKFNSA-N 1 2 403.442 3.569 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542019362 1012910677 /nfs/dbraw/zinc/91/06/77/1012910677.db2.gz CIBJGSFTZNOZNS-CQSZACIVSA-N 1 2 411.815 3.703 20 30 HHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000542019362 1012910682 /nfs/dbraw/zinc/91/06/82/1012910682.db2.gz CIBJGSFTZNOZNS-CQSZACIVSA-N 1 2 411.815 3.703 20 30 HHEDLO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](c2ccccc2)C1 ZINC000524131793 1012915938 /nfs/dbraw/zinc/91/59/38/1012915938.db2.gz MJJNFEKHDATKGZ-JOCHJYFZSA-N 1 2 401.466 3.859 20 30 HHEDLO C[N@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@@H](c2ccccc2)C1 ZINC000524131793 1012915946 /nfs/dbraw/zinc/91/59/46/1012915946.db2.gz MJJNFEKHDATKGZ-JOCHJYFZSA-N 1 2 401.466 3.859 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542046825 1012952071 /nfs/dbraw/zinc/95/20/71/1012952071.db2.gz ZRSVUIICHJNHSI-TZIWHRDSSA-N 1 2 401.432 3.590 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542046825 1012952086 /nfs/dbraw/zinc/95/20/86/1012952086.db2.gz ZRSVUIICHJNHSI-TZIWHRDSSA-N 1 2 401.432 3.590 20 30 HHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542046822 1012952110 /nfs/dbraw/zinc/95/21/10/1012952110.db2.gz ZRSVUIICHJNHSI-CTNGQTDRSA-N 1 2 401.432 3.590 20 30 HHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542046822 1012952122 /nfs/dbraw/zinc/95/21/22/1012952122.db2.gz ZRSVUIICHJNHSI-CTNGQTDRSA-N 1 2 401.432 3.590 20 30 HHEDLO Cc1cc(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1CC(F)(F)F ZINC000555431004 1073458856 /nfs/dbraw/zinc/45/88/56/1073458856.db2.gz DCUGLJOTRGWDKL-UHFFFAOYSA-N 1 2 418.463 3.934 20 30 HHEDLO Cc1cc(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1CC(F)(F)F ZINC000555431004 1073458864 /nfs/dbraw/zinc/45/88/64/1073458864.db2.gz DCUGLJOTRGWDKL-UHFFFAOYSA-N 1 2 418.463 3.934 20 30 HHEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000590104784 1073554003 /nfs/dbraw/zinc/55/40/03/1073554003.db2.gz WIYRTOJGPVSKAO-OAQYLSRUSA-N 1 2 419.529 3.631 20 30 HHEDLO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761240575 1075712223 /nfs/dbraw/zinc/71/22/23/1075712223.db2.gz QKYDZDOBHKAMIM-JOCHJYFZSA-N 1 2 417.465 3.870 20 30 HHEDLO N#Cc1cc(Cl)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673063 719503375 /nfs/dbraw/zinc/50/33/75/719503375.db2.gz MRVITMMSOOXQFG-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO N#Cc1cc(Cl)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673063 719503383 /nfs/dbraw/zinc/50/33/83/719503383.db2.gz MRVITMMSOOXQFG-UHFFFAOYSA-N 1 2 400.885 3.617 20 30 HHEDLO