smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)n1 ZINC000191837681 1120698412 /nfs/dbraw/zinc/69/84/12/1120698412.db2.gz MWXTWODMCSWTCF-SNVBAGLBSA-N 1 2 336.258 3.937 20 30 EHEDLO N#Cc1cccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c1F ZINC000430347787 1016422903 /nfs/dbraw/zinc/42/29/03/1016422903.db2.gz QEIFDJRIBUEJCW-UHFFFAOYSA-N 1 2 346.409 3.732 20 30 EHEDLO N#Cc1cccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1F ZINC000430347787 1016422918 /nfs/dbraw/zinc/42/29/18/1016422918.db2.gz QEIFDJRIBUEJCW-UHFFFAOYSA-N 1 2 346.409 3.732 20 30 EHEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)c1nc(C(C)(C)C)no1 ZINC000122218219 1016552379 /nfs/dbraw/zinc/55/23/79/1016552379.db2.gz OJDNJNAYSYHORC-SNVBAGLBSA-N 1 2 336.823 3.613 20 30 EHEDLO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185065239 1032359383 /nfs/dbraw/zinc/35/93/83/1032359383.db2.gz ONWNQQMZUFMAQQ-CYBMUJFWSA-N 1 2 339.345 3.717 20 30 EHEDLO CC(C)C[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)n1cc[nH+]c1 ZINC000602050815 1032606963 /nfs/dbraw/zinc/60/69/63/1032606963.db2.gz CELPPVQGNMWZGA-LJQANCHMSA-N 1 2 336.439 3.533 20 30 EHEDLO Cc1nc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)nc2ccccc12 ZINC000728714924 1018418993 /nfs/dbraw/zinc/41/89/93/1018418993.db2.gz DBQYIWUZPJKDAB-CQSZACIVSA-N 1 2 332.407 3.519 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1c2cccc3cccc(c23)C1=O ZINC000025478064 1018991994 /nfs/dbraw/zinc/99/19/94/1018991994.db2.gz ZJWQEAKRHHPEBC-UHFFFAOYSA-N 1 2 327.387 3.761 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)CN1c2cccc3cccc(c23)C1=O ZINC000025478064 1018992004 /nfs/dbraw/zinc/99/20/04/1018992004.db2.gz ZJWQEAKRHHPEBC-UHFFFAOYSA-N 1 2 327.387 3.761 20 30 EHEDLO COc1cc(OC)c(CNc2[nH+]cccc2OCCCC#N)cc1F ZINC000593220369 1032835230 /nfs/dbraw/zinc/83/52/30/1032835230.db2.gz LSZGQZRPLDNXKZ-UHFFFAOYSA-N 1 2 345.374 3.533 20 30 EHEDLO CCCCCCCC(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001270133945 1021280545 /nfs/dbraw/zinc/28/05/45/1021280545.db2.gz DLOXFYKYJDBIOY-UHFFFAOYSA-N 1 2 334.426 3.976 20 30 EHEDLO CCCCCCCC(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001270133945 1021280560 /nfs/dbraw/zinc/28/05/60/1021280560.db2.gz DLOXFYKYJDBIOY-UHFFFAOYSA-N 1 2 334.426 3.976 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)c(Cl)c1OC ZINC000897625521 1033017337 /nfs/dbraw/zinc/01/73/37/1033017337.db2.gz LSMAAKOEJTVBRM-UHFFFAOYSA-N 1 2 336.844 3.922 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)c(Cl)c1OC ZINC000897625521 1033017355 /nfs/dbraw/zinc/01/73/55/1033017355.db2.gz LSMAAKOEJTVBRM-UHFFFAOYSA-N 1 2 336.844 3.922 20 30 EHEDLO CC(=O)N(c1nc(C[NH2+]CC2(CC#N)CC2)cs1)c1ccccc1 ZINC000602641408 1033030761 /nfs/dbraw/zinc/03/07/61/1033030761.db2.gz AWKBTINGTYPKRZ-UHFFFAOYSA-N 1 2 340.452 3.611 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnn(C)c1C1CC1 ZINC000894418036 1022247534 /nfs/dbraw/zinc/24/75/34/1022247534.db2.gz YTSRWPSMNPFWHS-UHFFFAOYSA-N 1 2 327.476 3.653 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnn(C)c1C1CC1 ZINC000894418036 1022247553 /nfs/dbraw/zinc/24/75/53/1022247553.db2.gz YTSRWPSMNPFWHS-UHFFFAOYSA-N 1 2 327.476 3.653 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)n2)C1 ZINC000328908181 1022541839 /nfs/dbraw/zinc/54/18/39/1022541839.db2.gz CSCYDWUEDQGMMY-RDBSUJKOSA-N 1 2 349.500 3.968 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)n2)C1 ZINC000328908181 1022541832 /nfs/dbraw/zinc/54/18/32/1022541832.db2.gz CSCYDWUEDQGMMY-RDBSUJKOSA-N 1 2 349.500 3.968 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(Br)cc1 ZINC000894667575 1022682974 /nfs/dbraw/zinc/68/29/74/1022682974.db2.gz HVIGZYSXLQUOBQ-KRWDZBQOSA-N 1 2 344.256 3.835 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052210599 1022686202 /nfs/dbraw/zinc/68/62/02/1022686202.db2.gz VXGCRAHXNLFOHC-SJLPKXTDSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052210599 1022686213 /nfs/dbraw/zinc/68/62/13/1022686213.db2.gz VXGCRAHXNLFOHC-SJLPKXTDSA-N 1 2 333.863 3.531 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(OC)c1F ZINC000894747455 1022829542 /nfs/dbraw/zinc/82/95/42/1022829542.db2.gz IIILXKAGIYYGNR-UHFFFAOYSA-N 1 2 349.402 3.507 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(OC)c1F ZINC000894747455 1022829554 /nfs/dbraw/zinc/82/95/54/1022829554.db2.gz IIILXKAGIYYGNR-UHFFFAOYSA-N 1 2 349.402 3.507 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCCO2 ZINC000058932127 1033086748 /nfs/dbraw/zinc/08/67/48/1033086748.db2.gz XOGJCIXNFBBSOL-UHFFFAOYSA-N 1 2 340.379 3.554 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCCO2 ZINC000058932127 1033086763 /nfs/dbraw/zinc/08/67/63/1033086763.db2.gz XOGJCIXNFBBSOL-UHFFFAOYSA-N 1 2 340.379 3.554 20 30 EHEDLO Cc1cc(NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc[nH+]1 ZINC000112298450 1022929047 /nfs/dbraw/zinc/92/90/47/1022929047.db2.gz KEIKEVCFFKTEEF-BQYQJAHWSA-N 1 2 330.391 3.910 20 30 EHEDLO C#CCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000277097271 1023760418 /nfs/dbraw/zinc/76/04/18/1023760418.db2.gz ORRAJTWKYOHLIG-INIZCTEOSA-N 1 2 336.838 3.536 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C)CCCOC3)n2)C1 ZINC000329709015 1024108497 /nfs/dbraw/zinc/10/84/97/1024108497.db2.gz MSZMQESJTPDXML-CXAGYDPISA-N 1 2 337.489 3.780 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C)CCCOC3)n2)C1 ZINC000329709015 1024108503 /nfs/dbraw/zinc/10/85/03/1024108503.db2.gz MSZMQESJTPDXML-CXAGYDPISA-N 1 2 337.489 3.780 20 30 EHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N[C@@H](C)c1ccc(C#N)cc1 ZINC000522643068 1024155195 /nfs/dbraw/zinc/15/51/95/1024155195.db2.gz VGRQNAPSPPRPEV-AWEZNQCLSA-N 1 2 345.402 3.878 20 30 EHEDLO N#CC1CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000061040309 1024171253 /nfs/dbraw/zinc/17/12/53/1024171253.db2.gz VNMNYRZOJLTNTI-UHFFFAOYSA-N 1 2 346.228 3.840 20 30 EHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000330221996 1024359957 /nfs/dbraw/zinc/35/99/57/1024359957.db2.gz RLHRIOABLSAJIH-OKYOBFRVSA-N 1 2 344.503 3.929 20 30 EHEDLO C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCn5cc[nH+]c5C4)cc3c2C1 ZINC000330258319 1024375005 /nfs/dbraw/zinc/37/50/05/1024375005.db2.gz RFWLQAYKWAHRSN-HIFRSBDPSA-N 1 2 348.450 3.809 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OCC ZINC000895417932 1024489025 /nfs/dbraw/zinc/48/90/25/1024489025.db2.gz JKTWPRKEMAMNOF-CABCVRRESA-N 1 2 329.868 3.532 20 30 EHEDLO C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000342239686 1024524511 /nfs/dbraw/zinc/52/45/11/1024524511.db2.gz DTUCXQRKSQYWRX-KRWDZBQOSA-N 1 2 336.420 3.686 20 30 EHEDLO C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000342239689 1024524774 /nfs/dbraw/zinc/52/47/74/1024524774.db2.gz DTUCXQRKSQYWRX-QGZVFWFLSA-N 1 2 336.420 3.686 20 30 EHEDLO Cc1cc(Br)cn2c(CN(C[C@@H](C)C#N)C3CC3)c[nH+]c12 ZINC000346230522 1024544709 /nfs/dbraw/zinc/54/47/09/1024544709.db2.gz WIGHBGVUDCLNBT-NSHDSACASA-N 1 2 347.260 3.529 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000346299489 1024615228 /nfs/dbraw/zinc/61/52/28/1024615228.db2.gz BEEGPFKYVWERIH-AWEZNQCLSA-N 1 2 325.437 3.635 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000346299489 1024615230 /nfs/dbraw/zinc/61/52/30/1024615230.db2.gz BEEGPFKYVWERIH-AWEZNQCLSA-N 1 2 325.437 3.635 20 30 EHEDLO N#Cc1ccc(Br)c(C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000895598319 1024644586 /nfs/dbraw/zinc/64/45/86/1024644586.db2.gz LBURSQDPICHKMF-UHFFFAOYSA-N 1 2 331.213 3.588 20 30 EHEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000025370988 1024733155 /nfs/dbraw/zinc/73/31/55/1024733155.db2.gz ISWQDNLCZBFQQT-UHFFFAOYSA-N 1 2 340.858 3.546 20 30 EHEDLO CC[C@@H](C#N)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000127001096 1024749672 /nfs/dbraw/zinc/74/96/72/1024749672.db2.gz YAYMMZYDCJYVHF-FZMZJTMJSA-N 1 2 349.891 3.938 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000114723666 1024753672 /nfs/dbraw/zinc/75/36/72/1024753672.db2.gz FNGQUTLYXOWPKA-UHFFFAOYSA-N 1 2 340.471 3.704 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000281393749 1024996451 /nfs/dbraw/zinc/99/64/51/1024996451.db2.gz OJHMGSZPRGISEZ-RDJZCZTQSA-N 1 2 331.460 3.556 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000027775707 1025211597 /nfs/dbraw/zinc/21/15/97/1025211597.db2.gz LXVUBTCQISUDOR-UHFFFAOYSA-N 1 2 346.377 3.915 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000027775707 1025211604 /nfs/dbraw/zinc/21/16/04/1025211604.db2.gz LXVUBTCQISUDOR-UHFFFAOYSA-N 1 2 346.377 3.915 20 30 EHEDLO COCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000892200991 1025408821 /nfs/dbraw/zinc/40/88/21/1025408821.db2.gz JCSBCXRJDBVZJA-RTBURBONSA-N 1 2 340.423 3.577 20 30 EHEDLO COCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000892200991 1025408825 /nfs/dbraw/zinc/40/88/25/1025408825.db2.gz JCSBCXRJDBVZJA-RTBURBONSA-N 1 2 340.423 3.577 20 30 EHEDLO CC1CC(n2nnc3c2C[N@H+](Cc2ccccc2C(C)(C)C#N)CC3)C1 ZINC000602986805 1033285337 /nfs/dbraw/zinc/28/53/37/1033285337.db2.gz POFOCLLJMCSJTG-UHFFFAOYSA-N 1 2 349.482 3.609 20 30 EHEDLO CC1CC(n2nnc3c2C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC3)C1 ZINC000602986805 1033285347 /nfs/dbraw/zinc/28/53/47/1033285347.db2.gz POFOCLLJMCSJTG-UHFFFAOYSA-N 1 2 349.482 3.609 20 30 EHEDLO N#C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000896506368 1025509456 /nfs/dbraw/zinc/50/94/56/1025509456.db2.gz SJBOOEPTNIGFCY-GFCCVEGCSA-N 1 2 334.345 3.831 20 30 EHEDLO N#C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000896506368 1025509471 /nfs/dbraw/zinc/50/94/71/1025509471.db2.gz SJBOOEPTNIGFCY-GFCCVEGCSA-N 1 2 334.345 3.831 20 30 EHEDLO CC1(C)C[NH+](Cc2ccc(C#N)cc2Br)CC(C)(C)O1 ZINC000442879110 1025558035 /nfs/dbraw/zinc/55/80/35/1025558035.db2.gz VRNHHWSYYVEKBT-UHFFFAOYSA-N 1 2 337.261 3.710 20 30 EHEDLO C=CCN(C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(C)C ZINC000729576928 1026773858 /nfs/dbraw/zinc/77/38/58/1026773858.db2.gz XESOCAUFPQETSW-INIZCTEOSA-N 1 2 331.460 3.508 20 30 EHEDLO Cc1nnc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)s1 ZINC000025790649 1027038011 /nfs/dbraw/zinc/03/80/11/1027038011.db2.gz ZOABDKVGIQUVCD-CYBMUJFWSA-N 1 2 344.484 3.778 20 30 EHEDLO N#CC1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCCCC1 ZINC000273679883 1027555676 /nfs/dbraw/zinc/55/56/76/1027555676.db2.gz COTXFGAFQILPOM-UHFFFAOYSA-N 1 2 333.395 3.707 20 30 EHEDLO N#Cc1c(Cl)cc(Br)cc1NCc1cc[nH+]c(N)c1 ZINC001167616822 1027694836 /nfs/dbraw/zinc/69/48/36/1027694836.db2.gz RBCDPTWGDISXSU-UHFFFAOYSA-N 1 2 337.608 3.563 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000428380006 1028368474 /nfs/dbraw/zinc/36/84/74/1028368474.db2.gz KOIJUEGJQTVTCH-CQSZACIVSA-N 1 2 328.412 3.996 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000428380006 1028368492 /nfs/dbraw/zinc/36/84/92/1028368492.db2.gz KOIJUEGJQTVTCH-CQSZACIVSA-N 1 2 328.412 3.996 20 30 EHEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000249295990 1029012539 /nfs/dbraw/zinc/01/25/39/1029012539.db2.gz BYEIJSHLUGUCGG-DLBZAZTESA-N 1 2 334.410 3.573 20 30 EHEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000249295990 1029012544 /nfs/dbraw/zinc/01/25/44/1029012544.db2.gz BYEIJSHLUGUCGG-DLBZAZTESA-N 1 2 334.410 3.573 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ncc(C)c(OC)c1C ZINC000524308973 1029069645 /nfs/dbraw/zinc/06/96/45/1029069645.db2.gz FYSFVUMRSPKONT-UHFFFAOYSA-N 1 2 326.440 3.904 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ncc(C)c(OC)c1C ZINC000524308973 1029069663 /nfs/dbraw/zinc/06/96/63/1029069663.db2.gz FYSFVUMRSPKONT-UHFFFAOYSA-N 1 2 326.440 3.904 20 30 EHEDLO COc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1C#N ZINC000533079802 1029284430 /nfs/dbraw/zinc/28/44/30/1029284430.db2.gz MWKICMSRHQBHSN-QFIPXVFZSA-N 1 2 343.430 3.974 20 30 EHEDLO COc1ccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1C#N ZINC000533079802 1029284438 /nfs/dbraw/zinc/28/44/38/1029284438.db2.gz MWKICMSRHQBHSN-QFIPXVFZSA-N 1 2 343.430 3.974 20 30 EHEDLO CC1(C#N)CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000272507906 1029488991 /nfs/dbraw/zinc/48/89/91/1029488991.db2.gz FPMZNIAIPKTZFR-UHFFFAOYSA-N 1 2 347.462 3.845 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000272331434 1029811314 /nfs/dbraw/zinc/81/13/14/1029811314.db2.gz WPCGAUAOIBRTDM-OAHLLOKOSA-N 1 2 333.432 3.627 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000272331434 1029811323 /nfs/dbraw/zinc/81/13/23/1029811323.db2.gz WPCGAUAOIBRTDM-OAHLLOKOSA-N 1 2 333.432 3.627 20 30 EHEDLO C=C(C)COc1cc(C[NH2+][C@H](C)c2nnc(C)s2)ccc1OC ZINC000273578372 1029825624 /nfs/dbraw/zinc/82/56/24/1029825624.db2.gz HTQLBJNXFABFHO-GFCCVEGCSA-N 1 2 333.457 3.661 20 30 EHEDLO C=CCOc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1OC ZINC000447058359 1029894858 /nfs/dbraw/zinc/89/48/58/1029894858.db2.gz HDZJPJXWAUIVCT-UHFFFAOYSA-N 1 2 343.471 3.913 20 30 EHEDLO C=CCOc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1OC ZINC000447058359 1029894875 /nfs/dbraw/zinc/89/48/75/1029894875.db2.gz HDZJPJXWAUIVCT-UHFFFAOYSA-N 1 2 343.471 3.913 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000481987095 1030149271 /nfs/dbraw/zinc/14/92/71/1030149271.db2.gz ACBFDYMHVPJUGR-CQSZACIVSA-N 1 2 338.407 3.857 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)o1 ZINC000481987095 1030149280 /nfs/dbraw/zinc/14/92/80/1030149280.db2.gz ACBFDYMHVPJUGR-CQSZACIVSA-N 1 2 338.407 3.857 20 30 EHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(NCC2CC2)[nH+]cn1 ZINC000343358733 1030479232 /nfs/dbraw/zinc/47/92/32/1030479232.db2.gz IZDFNSMDBJBLOU-UHFFFAOYSA-N 1 2 340.475 3.659 20 30 EHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(NCC2CC2)nc[nH+]1 ZINC000343358733 1030479236 /nfs/dbraw/zinc/47/92/36/1030479236.db2.gz IZDFNSMDBJBLOU-UHFFFAOYSA-N 1 2 340.475 3.659 20 30 EHEDLO C=CCCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000448032755 1030688010 /nfs/dbraw/zinc/68/80/10/1030688010.db2.gz WSOLTIYOCOJVAF-SFHVURJKSA-N 1 2 326.444 3.507 20 30 EHEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638454 1031001944 /nfs/dbraw/zinc/00/19/44/1031001944.db2.gz FYEFYAWZENLKOQ-ZWKOTPCHSA-N 1 2 347.245 3.955 20 30 EHEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638454 1031001957 /nfs/dbraw/zinc/00/19/57/1031001957.db2.gz FYEFYAWZENLKOQ-ZWKOTPCHSA-N 1 2 347.245 3.955 20 30 EHEDLO CC(C)(C)c1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000278562431 1031387755 /nfs/dbraw/zinc/38/77/55/1031387755.db2.gz ILKVIDIHPZCMEU-UHFFFAOYSA-N 1 2 338.455 3.556 20 30 EHEDLO CC(C)(C)c1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)no1 ZINC000278562431 1031387764 /nfs/dbraw/zinc/38/77/64/1031387764.db2.gz ILKVIDIHPZCMEU-UHFFFAOYSA-N 1 2 338.455 3.556 20 30 EHEDLO CCCc1ccc([C@H](C)[N@H+](CC#Cc2ccccc2)CC(N)=O)cc1 ZINC000484087367 1031456213 /nfs/dbraw/zinc/45/62/13/1031456213.db2.gz WXZUJUOHRAPQQD-SFHVURJKSA-N 1 2 334.463 3.539 20 30 EHEDLO CCCc1ccc([C@H](C)[N@@H+](CC#Cc2ccccc2)CC(N)=O)cc1 ZINC000484087367 1031456224 /nfs/dbraw/zinc/45/62/24/1031456224.db2.gz WXZUJUOHRAPQQD-SFHVURJKSA-N 1 2 334.463 3.539 20 30 EHEDLO C=C[C@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000179288193 1031763116 /nfs/dbraw/zinc/76/31/16/1031763116.db2.gz FUKNUNRNIQYDPG-ZWKOTPCHSA-N 1 2 337.467 3.561 20 30 EHEDLO CC(C)(C#N)C[C@@H](O)CNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000598726207 1033419180 /nfs/dbraw/zinc/41/91/80/1033419180.db2.gz PMGHAZRTQAKEKQ-QGZVFWFLSA-N 1 2 334.423 3.738 20 30 EHEDLO C[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c2ccccc2S1 ZINC000595618779 1033903284 /nfs/dbraw/zinc/90/32/84/1033903284.db2.gz RIFIUBJBJVBQNZ-HOTGVXAUSA-N 1 2 343.496 3.530 20 30 EHEDLO C[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc2S1 ZINC000595618779 1033903295 /nfs/dbraw/zinc/90/32/95/1033903295.db2.gz RIFIUBJBJVBQNZ-HOTGVXAUSA-N 1 2 343.496 3.530 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2ccco2)CC1 ZINC000595618111 1033903568 /nfs/dbraw/zinc/90/35/68/1033903568.db2.gz LSRRGKJICCOSKY-UHFFFAOYSA-N 1 2 343.814 3.623 20 30 EHEDLO COC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(OC)c1 ZINC000595682604 1033930672 /nfs/dbraw/zinc/93/06/72/1033930672.db2.gz CFWUABGPMNQUCA-SFHVURJKSA-N 1 2 330.815 3.698 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@@H]2C)c1C ZINC000599624824 1034072176 /nfs/dbraw/zinc/07/21/76/1034072176.db2.gz ZGYPZYRUNHZFGQ-HNNXBMFYSA-N 1 2 349.425 3.670 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@@H]2C)c1C ZINC000599624824 1034072192 /nfs/dbraw/zinc/07/21/92/1034072192.db2.gz ZGYPZYRUNHZFGQ-HNNXBMFYSA-N 1 2 349.425 3.670 20 30 EHEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000450317579 1034103010 /nfs/dbraw/zinc/10/30/10/1034103010.db2.gz TZTGERIEBFCNQS-ZWKOTPCHSA-N 1 2 348.437 3.963 20 30 EHEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000450317579 1034103023 /nfs/dbraw/zinc/10/30/23/1034103023.db2.gz TZTGERIEBFCNQS-ZWKOTPCHSA-N 1 2 348.437 3.963 20 30 EHEDLO N#C[C@@H](C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc(C2CC2)cs1 ZINC000647379774 1034122772 /nfs/dbraw/zinc/12/27/72/1034122772.db2.gz MUJNXKLYRCNIDJ-INIZCTEOSA-N 1 2 348.431 3.755 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057877551 1034248042 /nfs/dbraw/zinc/24/80/42/1034248042.db2.gz KEMSYZHCZNLZKU-QGZVFWFLSA-N 1 2 347.462 3.840 20 30 EHEDLO Cc1cc(Br)cn2c(CN3CCC[C@H](CC#N)C3)c[nH+]c12 ZINC000597176593 1034580958 /nfs/dbraw/zinc/58/09/58/1034580958.db2.gz ISUJBTULWMIVRH-CYBMUJFWSA-N 1 2 347.260 3.531 20 30 EHEDLO N#Cc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1C(F)(F)F ZINC000167122752 1034586273 /nfs/dbraw/zinc/58/62/73/1034586273.db2.gz ZVUQXMCVYKJSJF-HNNXBMFYSA-N 1 2 333.313 3.630 20 30 EHEDLO Cc1cccc2[nH]c(C[NH+]3CCN(c4ccsc4C#N)CC3)cc21 ZINC000597184658 1034587819 /nfs/dbraw/zinc/58/78/19/1034587819.db2.gz XNYDZPTVZJGQHZ-UHFFFAOYSA-N 1 2 336.464 3.732 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597229280 1034610508 /nfs/dbraw/zinc/61/05/08/1034610508.db2.gz KNHGFMMGWLKAPE-SFHVURJKSA-N 1 2 330.382 3.503 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597229280 1034610517 /nfs/dbraw/zinc/61/05/17/1034610517.db2.gz KNHGFMMGWLKAPE-SFHVURJKSA-N 1 2 330.382 3.503 20 30 EHEDLO C[C@]1(C#N)CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000597228636 1034611141 /nfs/dbraw/zinc/61/11/41/1034611141.db2.gz FLCMATCHZVMUIN-OAQYLSRUSA-N 1 2 334.467 3.961 20 30 EHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000597228636 1034611149 /nfs/dbraw/zinc/61/11/49/1034611149.db2.gz FLCMATCHZVMUIN-OAQYLSRUSA-N 1 2 334.467 3.961 20 30 EHEDLO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000612406516 1034889769 /nfs/dbraw/zinc/88/97/69/1034889769.db2.gz OAOBXOWSDNLMIQ-MRXNPFEDSA-N 1 2 342.361 3.762 20 30 EHEDLO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000612406516 1034889772 /nfs/dbraw/zinc/88/97/72/1034889772.db2.gz OAOBXOWSDNLMIQ-MRXNPFEDSA-N 1 2 342.361 3.762 20 30 EHEDLO COC(=O)c1cccc(C[NH2+][C@@H](CC(F)F)c2ccccc2)c1C#N ZINC000581363433 1035486376 /nfs/dbraw/zinc/48/63/76/1035486376.db2.gz JHPBVLUEXUZUEU-KRWDZBQOSA-N 1 2 344.361 3.831 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)c2nc(C(C)(C)C)ccc2C#N)c1C ZINC000613417237 1035816314 /nfs/dbraw/zinc/81/63/14/1035816314.db2.gz GIVCTWHHKNIUIB-UHFFFAOYSA-N 1 2 338.455 3.908 20 30 EHEDLO C=CCC1(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCCC1 ZINC000457618297 1036307592 /nfs/dbraw/zinc/30/75/92/1036307592.db2.gz ZTXRUPUTCSZMAQ-UHFFFAOYSA-N 1 2 342.487 3.760 20 30 EHEDLO COc1ccccc1[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccccn1 ZINC000089796750 1036661973 /nfs/dbraw/zinc/66/19/73/1036661973.db2.gz CPRJUMWGLUVMBC-OAQYLSRUSA-N 1 2 329.403 3.841 20 30 EHEDLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000590026241 1036711142 /nfs/dbraw/zinc/71/11/42/1036711142.db2.gz HELGYPWXOZGGAK-MRXNPFEDSA-N 1 2 342.487 3.905 20 30 EHEDLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000590026241 1036711159 /nfs/dbraw/zinc/71/11/59/1036711159.db2.gz HELGYPWXOZGGAK-MRXNPFEDSA-N 1 2 342.487 3.905 20 30 EHEDLO C[C@H]1Cc2c(C#N)c(NC(=O)CCCn3cc[nH+]c3)sc2[C@H](C)C1 ZINC000590999744 1037179832 /nfs/dbraw/zinc/17/98/32/1037179832.db2.gz BZEWRWUTJJRHFQ-CHWSQXEVSA-N 1 2 342.468 3.921 20 30 EHEDLO C[C@@H]1Cc2c(C#N)c(NC(=O)CCCn3cc[nH+]c3)sc2[C@@H](C)C1 ZINC000590999747 1037182904 /nfs/dbraw/zinc/18/29/04/1037182904.db2.gz BZEWRWUTJJRHFQ-STQMWFEESA-N 1 2 342.468 3.921 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549082261 1037193606 /nfs/dbraw/zinc/19/36/06/1037193606.db2.gz RMWMVMSMZJJFSX-LJQANCHMSA-N 1 2 328.362 3.777 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549082261 1037193612 /nfs/dbraw/zinc/19/36/12/1037193612.db2.gz RMWMVMSMZJJFSX-LJQANCHMSA-N 1 2 328.362 3.777 20 30 EHEDLO C#CCOc1ccccc1-c1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923881934 1037328403 /nfs/dbraw/zinc/32/84/03/1037328403.db2.gz CQXZPBGYDCJBQF-MRXNPFEDSA-N 1 2 336.395 3.581 20 30 EHEDLO N#CCCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000573320946 1037465098 /nfs/dbraw/zinc/46/50/98/1037465098.db2.gz ULCVKZYPWLOLED-UHFFFAOYSA-N 1 2 330.819 3.505 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccsc1 ZINC000152942808 1037890897 /nfs/dbraw/zinc/89/08/97/1037890897.db2.gz WSEUMRXEJIOERE-NSHDSACASA-N 1 2 345.493 3.629 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccsc1 ZINC000152942808 1037890922 /nfs/dbraw/zinc/89/09/22/1037890922.db2.gz WSEUMRXEJIOERE-NSHDSACASA-N 1 2 345.493 3.629 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462212458 1038866213 /nfs/dbraw/zinc/86/62/13/1038866213.db2.gz JJCDQFIWSXCFON-HZPDHXFCSA-N 1 2 335.517 3.881 20 30 EHEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000488252355 1039008117 /nfs/dbraw/zinc/00/81/17/1039008117.db2.gz SSEJZMBNJBVUQS-CQSZACIVSA-N 1 2 348.406 3.776 20 30 EHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)c(C)c3)n2)c1 ZINC000488260886 1039018823 /nfs/dbraw/zinc/01/88/23/1039018823.db2.gz DJSBTEANRHIOMH-CQSZACIVSA-N 1 2 348.406 3.776 20 30 EHEDLO CC[C@H]([NH2+]Cc1ccccc1OCCOC)c1cccc(C#N)c1O ZINC000924732846 1039070834 /nfs/dbraw/zinc/07/08/34/1039070834.db2.gz ANBWZSUFQOEXPS-SFHVURJKSA-N 1 2 340.423 3.530 20 30 EHEDLO C=CC[C@@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000626222591 1039095471 /nfs/dbraw/zinc/09/54/71/1039095471.db2.gz NPLZLRAVRTVWQS-CQSZACIVSA-N 1 2 334.489 3.559 20 30 EHEDLO CC(C)(CCC#N)CNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC000893867572 1039769224 /nfs/dbraw/zinc/76/92/24/1039769224.db2.gz PABZSGDYKVNMHQ-UHFFFAOYSA-N 1 2 338.390 3.696 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000489419933 1039956443 /nfs/dbraw/zinc/95/64/43/1039956443.db2.gz APPSHMABFCDONR-OAHLLOKOSA-N 1 2 329.469 3.774 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000489419933 1039956459 /nfs/dbraw/zinc/95/64/59/1039956459.db2.gz APPSHMABFCDONR-OAHLLOKOSA-N 1 2 329.469 3.774 20 30 EHEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808878 1040198828 /nfs/dbraw/zinc/19/88/28/1040198828.db2.gz HMALYNFELBNORV-OAHLLOKOSA-N 1 2 342.487 3.761 20 30 EHEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808878 1040198835 /nfs/dbraw/zinc/19/88/35/1040198835.db2.gz HMALYNFELBNORV-OAHLLOKOSA-N 1 2 342.487 3.761 20 30 EHEDLO C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C#N)cc1F ZINC000512614638 1040279853 /nfs/dbraw/zinc/27/98/53/1040279853.db2.gz WRVUJWPSHKUXAU-LLVKDONJSA-N 1 2 328.778 3.849 20 30 EHEDLO COc1cc(C)c(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1OC ZINC000151426586 1040872571 /nfs/dbraw/zinc/87/25/71/1040872571.db2.gz RGVKLGFIIGPRBP-VOTSOKGWSA-N 1 2 336.391 3.864 20 30 EHEDLO N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000433300431 1041238026 /nfs/dbraw/zinc/23/80/26/1041238026.db2.gz FCTYJORNGFZPHH-INIZCTEOSA-N 1 2 348.381 3.722 20 30 EHEDLO N#CC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCC1 ZINC000555868374 1041281087 /nfs/dbraw/zinc/28/10/87/1041281087.db2.gz IWZXJMFEKVVELD-UHFFFAOYSA-N 1 2 334.423 3.909 20 30 EHEDLO CC1(C)C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC(C)(C)O1 ZINC000562213252 1043685581 /nfs/dbraw/zinc/68/55/81/1043685581.db2.gz WMQUPOAUEBHBAE-UHFFFAOYSA-N 1 2 326.362 3.966 20 30 EHEDLO C=CCn1nnn(C[N@H+](Cc2ccccc2)CC(C)(C)C)c1=S ZINC000728903300 1043901836 /nfs/dbraw/zinc/90/18/36/1043901836.db2.gz KNSVHDKPBSFZPY-UHFFFAOYSA-N 1 2 331.489 3.501 20 30 EHEDLO C=CCn1nnn(C[N@@H+](Cc2ccccc2)CC(C)(C)C)c1=S ZINC000728903300 1043901850 /nfs/dbraw/zinc/90/18/50/1043901850.db2.gz KNSVHDKPBSFZPY-UHFFFAOYSA-N 1 2 331.489 3.501 20 30 EHEDLO Cc1cc(N2CCC(C#N)(c3ccccn3)CC2)nc(C2CCC2)[nH+]1 ZINC000893695869 1044292871 /nfs/dbraw/zinc/29/28/71/1044292871.db2.gz DNPZHQMKTDIORE-UHFFFAOYSA-N 1 2 333.439 3.509 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1OC ZINC000344697070 1044295655 /nfs/dbraw/zinc/29/56/55/1044295655.db2.gz GNEJMFPDWFNWHU-CYBMUJFWSA-N 1 2 348.468 3.714 20 30 EHEDLO C=CCOc1ccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)cc1 ZINC000344757655 1044397898 /nfs/dbraw/zinc/39/78/98/1044397898.db2.gz OZFLKPDKOOKYKO-MRXNPFEDSA-N 1 2 343.496 3.587 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000180504223 1127167419 /nfs/dbraw/zinc/16/74/19/1127167419.db2.gz NQPGTIIRNDADFO-INIZCTEOSA-N 1 2 330.476 3.616 20 30 EHEDLO CC(=NNCc1cnc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764779818 1127533760 /nfs/dbraw/zinc/53/37/60/1127533760.db2.gz VVRVVHSQSJNLHD-UHFFFAOYSA-N 1 2 341.418 3.934 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000764884840 1127547924 /nfs/dbraw/zinc/54/79/24/1127547924.db2.gz KSWVIANZCMSAHC-AWEZNQCLSA-N 1 2 331.489 3.596 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000764884840 1127547927 /nfs/dbraw/zinc/54/79/27/1127547927.db2.gz KSWVIANZCMSAHC-AWEZNQCLSA-N 1 2 331.489 3.596 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@@H](C(C)C)C2)c1=S ZINC000765080718 1127573229 /nfs/dbraw/zinc/57/32/29/1127573229.db2.gz SMEGSCZWIFWFQB-OAHLLOKOSA-N 1 2 343.500 3.597 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@@H](C(C)C)C2)c1=S ZINC000765080718 1127573231 /nfs/dbraw/zinc/57/32/31/1127573231.db2.gz SMEGSCZWIFWFQB-OAHLLOKOSA-N 1 2 343.500 3.597 20 30 EHEDLO N#Cc1ccc2nc(NCc3ccc(-n4cc[nH+]c4)cc3)ccc2c1 ZINC000301831140 1128607463 /nfs/dbraw/zinc/60/74/63/1128607463.db2.gz SJHJEDBBHUCWBC-UHFFFAOYSA-N 1 2 325.375 3.904 20 30 EHEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC001116743180 1128747001 /nfs/dbraw/zinc/74/70/01/1128747001.db2.gz CJARCPMIOOLBGJ-GFCCVEGCSA-N 1 2 330.653 3.879 20 30 EHEDLO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC001116743180 1128747004 /nfs/dbraw/zinc/74/70/04/1128747004.db2.gz CJARCPMIOOLBGJ-GFCCVEGCSA-N 1 2 330.653 3.879 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000185473747 1120415751 /nfs/dbraw/zinc/41/57/51/1120415751.db2.gz HGDXRNGGBAPCOS-DLBZAZTESA-N 1 2 330.472 3.503 20 30 EHEDLO C=C(C)C[N@@H+](CC)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000195337636 1120777784 /nfs/dbraw/zinc/77/77/84/1120777784.db2.gz CEZVDGVRXAXNJF-UHFFFAOYSA-N 1 2 329.425 3.643 20 30 EHEDLO C=C(C)C[N@H+](CC)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000195337636 1120777786 /nfs/dbraw/zinc/77/77/86/1120777786.db2.gz CEZVDGVRXAXNJF-UHFFFAOYSA-N 1 2 329.425 3.643 20 30 EHEDLO Cn1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)c(-c2ccc(C#N)cc2)n1 ZINC000921983362 1128997668 /nfs/dbraw/zinc/99/76/68/1128997668.db2.gz SRBVJJYYHUFKFT-UHFFFAOYSA-N 1 2 349.438 3.534 20 30 EHEDLO O=[N+]([O-])c1cc(Cl)ccc1N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000915975464 1122003081 /nfs/dbraw/zinc/00/30/81/1122003081.db2.gz HZWMOBJIDAYJEA-UHFFFAOYSA-N 1 2 345.790 3.712 20 30 EHEDLO CCN(CCO)c1ccc(C=[NH+]Nc2ccc3ccccc3n2)c(C)c1 ZINC000916285806 1122117661 /nfs/dbraw/zinc/11/76/61/1122117661.db2.gz ISRQSLROZMCHNK-UHFFFAOYSA-N 1 2 348.450 3.808 20 30 EHEDLO C[C@@H]([N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098985 1122493106 /nfs/dbraw/zinc/49/31/06/1122493106.db2.gz YFLPLUSMDCIGRQ-OLZOCXBDSA-N 1 2 329.469 3.839 20 30 EHEDLO C[C@@H]([N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098985 1122493107 /nfs/dbraw/zinc/49/31/07/1122493107.db2.gz YFLPLUSMDCIGRQ-OLZOCXBDSA-N 1 2 329.469 3.839 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@H+](CC)C[C@@H]2CCCO2)c1=S ZINC000919947213 1123242569 /nfs/dbraw/zinc/24/25/69/1123242569.db2.gz LFZVBCRPWJOZRG-HNNXBMFYSA-N 1 2 331.485 3.817 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@@H+](CC)C[C@@H]2CCCO2)c1=S ZINC000919947213 1123242572 /nfs/dbraw/zinc/24/25/72/1123242572.db2.gz LFZVBCRPWJOZRG-HNNXBMFYSA-N 1 2 331.485 3.817 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1CCCC1 ZINC000557050773 1123284222 /nfs/dbraw/zinc/28/42/22/1123284222.db2.gz DWJWIQGWAJWNGO-GFCCVEGCSA-N 1 2 326.893 3.837 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC1CCCC1 ZINC000557050773 1123284227 /nfs/dbraw/zinc/28/42/27/1123284227.db2.gz DWJWIQGWAJWNGO-GFCCVEGCSA-N 1 2 326.893 3.837 20 30 EHEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000920375410 1123361943 /nfs/dbraw/zinc/36/19/43/1123361943.db2.gz YNKKPGRKKKRXBT-UHFFFAOYSA-N 1 2 349.356 3.777 20 30 EHEDLO C[C@](CO)([NH2+]Cc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000609799766 1123664232 /nfs/dbraw/zinc/66/42/32/1123664232.db2.gz IAVCXWFDTGEIOG-QGZVFWFLSA-N 1 2 334.341 3.574 20 30 EHEDLO O=C1c2cccc(Br)c2C/C1=C\c1cccc2[nH+]ccn21 ZINC000179617026 1123809523 /nfs/dbraw/zinc/80/95/23/1123809523.db2.gz VMKFEYBGNBTCKV-PKNBQFBNSA-N 1 2 339.192 3.919 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1Cl ZINC000619749038 1125401188 /nfs/dbraw/zinc/40/11/88/1125401188.db2.gz XVZLGEMWQFDTFC-UHFFFAOYSA-N 1 2 331.750 3.977 20 30 EHEDLO C[C@H](C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000785463668 1129266469 /nfs/dbraw/zinc/26/64/69/1129266469.db2.gz TUWGHDKARVHMST-NXHRZFHOSA-N 1 2 343.471 3.671 20 30 EHEDLO C[C@H](C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000785463668 1129266472 /nfs/dbraw/zinc/26/64/72/1129266472.db2.gz TUWGHDKARVHMST-NXHRZFHOSA-N 1 2 343.471 3.671 20 30 EHEDLO CN(CCC#N)c1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922527830 1129562855 /nfs/dbraw/zinc/56/28/55/1129562855.db2.gz YNQPFLVKGRUDJR-AZUAARDMSA-N 1 2 339.414 3.598 20 30 EHEDLO COc1cc(C[N@H+](C)Cc2nc3c(s2)CCCC3)ccc1C#N ZINC000282500602 1129953499 /nfs/dbraw/zinc/95/34/99/1129953499.db2.gz YCYIZFPMBXHEIK-UHFFFAOYSA-N 1 2 327.453 3.534 20 30 EHEDLO COc1cc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)ccc1C#N ZINC000282500602 1129953503 /nfs/dbraw/zinc/95/35/03/1129953503.db2.gz YCYIZFPMBXHEIK-UHFFFAOYSA-N 1 2 327.453 3.534 20 30 EHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000171383282 1130050288 /nfs/dbraw/zinc/05/02/88/1130050288.db2.gz JOZGBWONCVMUGC-UHFFFAOYSA-N 1 2 327.378 3.913 20 30 EHEDLO COc1cc(C[N@H+](C)Cc2ccccc2C#N)c(SC)cc1OC ZINC000172586905 1130146064 /nfs/dbraw/zinc/14/60/64/1130146064.db2.gz ZOJPJNIQEBBUDO-UHFFFAOYSA-N 1 2 342.464 3.929 20 30 EHEDLO COc1cc(C[N@@H+](C)Cc2ccccc2C#N)c(SC)cc1OC ZINC000172586905 1130146066 /nfs/dbraw/zinc/14/60/66/1130146066.db2.gz ZOJPJNIQEBBUDO-UHFFFAOYSA-N 1 2 342.464 3.929 20 30 EHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](CC)CCC)c1=S ZINC000727822100 1130600332 /nfs/dbraw/zinc/60/03/32/1130600332.db2.gz VZBCHSHGTYOWRZ-UHFFFAOYSA-N 1 2 346.500 3.965 20 30 EHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](CC)CCC)c1=S ZINC000727822100 1130600335 /nfs/dbraw/zinc/60/03/35/1130600335.db2.gz VZBCHSHGTYOWRZ-UHFFFAOYSA-N 1 2 346.500 3.965 20 30 EHEDLO COCCCOc1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730147304 1130679376 /nfs/dbraw/zinc/67/93/76/1130679376.db2.gz AUTJPSNYFBUHMK-UHFFFAOYSA-N 1 2 335.407 3.518 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c1=S ZINC000733297833 1131022817 /nfs/dbraw/zinc/02/28/17/1131022817.db2.gz BIYOCEZKRNRIAZ-LJQANCHMSA-N 1 2 342.512 3.920 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)c1=S ZINC000733297833 1131022822 /nfs/dbraw/zinc/02/28/22/1131022822.db2.gz BIYOCEZKRNRIAZ-LJQANCHMSA-N 1 2 342.512 3.920 20 30 EHEDLO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000745991290 1132345508 /nfs/dbraw/zinc/34/55/08/1132345508.db2.gz VIKJNGPNAQSDRY-MGPQQGTHSA-N 1 2 327.453 3.593 20 30 EHEDLO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000745991290 1132345516 /nfs/dbraw/zinc/34/55/16/1132345516.db2.gz VIKJNGPNAQSDRY-MGPQQGTHSA-N 1 2 327.453 3.593 20 30 EHEDLO CC(C)C[N@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000746152484 1132385176 /nfs/dbraw/zinc/38/51/76/1132385176.db2.gz LKNZFJYWQURVBF-UHFFFAOYSA-N 1 2 345.450 3.797 20 30 EHEDLO CC(C)C[N@@H+](Cc1cnn(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000746152484 1132385181 /nfs/dbraw/zinc/38/51/81/1132385181.db2.gz LKNZFJYWQURVBF-UHFFFAOYSA-N 1 2 345.450 3.797 20 30 EHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768153642 1133102599 /nfs/dbraw/zinc/10/25/99/1133102599.db2.gz HUEFARIGOAUNAR-UHFFFAOYSA-N 1 2 332.448 3.800 20 30 EHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768153642 1133102601 /nfs/dbraw/zinc/10/26/01/1133102601.db2.gz HUEFARIGOAUNAR-UHFFFAOYSA-N 1 2 332.448 3.800 20 30 EHEDLO C=CC[C@H]1N(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CCCC1(C)C ZINC000770441338 1133430773 /nfs/dbraw/zinc/43/07/73/1133430773.db2.gz ZJKWPWGQXZXAQU-QGZVFWFLSA-N 1 2 345.487 3.983 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3nc(Br)cs3)CC2)c1 ZINC001181697313 1133518510 /nfs/dbraw/zinc/51/85/10/1133518510.db2.gz HRRRJDPSAZKPKN-UHFFFAOYSA-N 1 2 334.242 3.556 20 30 EHEDLO COc1ccc(C(C)(C)C[N@@H+]2Cc3cccc(C#N)c3C2)cc1OC ZINC001182666111 1133712468 /nfs/dbraw/zinc/71/24/68/1133712468.db2.gz LKNGFVDROHPYEN-UHFFFAOYSA-N 1 2 336.435 3.869 20 30 EHEDLO COc1ccc(C(C)(C)C[N@H+]2Cc3cccc(C#N)c3C2)cc1OC ZINC001182666111 1133712471 /nfs/dbraw/zinc/71/24/71/1133712471.db2.gz LKNGFVDROHPYEN-UHFFFAOYSA-N 1 2 336.435 3.869 20 30 EHEDLO Cc1cc(C)cc(-n2ncc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)n2)c1 ZINC000785617476 1133732532 /nfs/dbraw/zinc/73/25/32/1133732532.db2.gz MRBGNPNOZSIQND-NRFANRHFSA-N 1 2 343.434 3.533 20 30 EHEDLO N#Cc1cnc(Oc2cccc(-n3cc[nH+]c3)c2)c(Br)c1 ZINC001185438251 1134085882 /nfs/dbraw/zinc/08/58/82/1134085882.db2.gz AEVNVXIUBBNGBX-UHFFFAOYSA-N 1 2 341.168 3.694 20 30 EHEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3cc(F)cc(F)c3)sc2C1 ZINC001187540426 1134347689 /nfs/dbraw/zinc/34/76/89/1134347689.db2.gz VKBULSKXZQGTKQ-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3cc(F)cc(F)c3)sc2C1 ZINC001187540426 1134347696 /nfs/dbraw/zinc/34/76/96/1134347696.db2.gz VKBULSKXZQGTKQ-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO CCCCCCCCCCCCS(=O)(=O)NCc1c[nH+]cn1C ZINC001187723143 1134375024 /nfs/dbraw/zinc/37/50/24/1134375024.db2.gz VYFJPZRCEHUMFN-UHFFFAOYSA-N 1 2 343.537 3.760 20 30 EHEDLO CCCCCCCCS(=O)(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001187992842 1134409692 /nfs/dbraw/zinc/40/96/92/1134409692.db2.gz XGZOVGZLGNCVRY-UHFFFAOYSA-N 1 2 335.473 3.975 20 30 EHEDLO N#Cc1ccc(NC(=O)c2ccccc2-n2cc[nH+]c2)c2cccnc12 ZINC001190100280 1134655810 /nfs/dbraw/zinc/65/58/10/1134655810.db2.gz QZCLWFVTYSZASB-UHFFFAOYSA-N 1 2 339.358 3.544 20 30 EHEDLO C=C(C)Cc1ccc(C(=O)N2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1 ZINC001190217698 1134671620 /nfs/dbraw/zinc/67/16/20/1134671620.db2.gz RGJKQNMGZCOLTM-UHFFFAOYSA-N 1 2 349.478 3.888 20 30 EHEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000793043299 1134841150 /nfs/dbraw/zinc/84/11/50/1134841150.db2.gz LLDVYUHYSVBCKK-HXUWFJFHSA-N 1 2 344.418 3.647 20 30 EHEDLO N#CC[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000793235257 1134880812 /nfs/dbraw/zinc/88/08/12/1134880812.db2.gz DSEBTXNEBXGSHY-LJQANCHMSA-N 1 2 344.418 3.576 20 30 EHEDLO C/C(=C\c1ccccc1)C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515505 1134943705 /nfs/dbraw/zinc/94/37/05/1134943705.db2.gz KBIAHVZSDHWPSV-SFQUDFHCSA-N 1 2 347.462 3.592 20 30 EHEDLO C/C(=C\c1ccccc1)C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515505 1134943714 /nfs/dbraw/zinc/94/37/14/1134943714.db2.gz KBIAHVZSDHWPSV-SFQUDFHCSA-N 1 2 347.462 3.592 20 30 EHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(F)c(CC#N)c2)c1 ZINC001194908629 1135339116 /nfs/dbraw/zinc/33/91/16/1135339116.db2.gz YBIIXFYSROWONM-UHFFFAOYSA-N 1 2 334.354 3.545 20 30 EHEDLO CCCCCCCCCCOC(=O)NC1CC[NH+](C2COC2)CC1 ZINC001194928759 1135341826 /nfs/dbraw/zinc/34/18/26/1135341826.db2.gz FMMXFDLTIWPYAY-UHFFFAOYSA-N 1 2 340.508 3.717 20 30 EHEDLO C#CC[C@@H](OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(C)(C)C ZINC000805917708 1135349545 /nfs/dbraw/zinc/34/95/45/1135349545.db2.gz WFWAFJWMHUGSCA-QGZVFWFLSA-N 1 2 348.512 3.645 20 30 EHEDLO CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000807989305 1135599105 /nfs/dbraw/zinc/59/91/05/1135599105.db2.gz GDJBGAFSHWLMQN-UHFFFAOYSA-N 1 2 335.367 3.925 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000775801395 1135753579 /nfs/dbraw/zinc/75/35/79/1135753579.db2.gz XSBNQDDIWPDACN-DLBZAZTESA-N 1 2 346.883 3.658 20 30 EHEDLO C=CCSc1ncccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001199737262 1135925105 /nfs/dbraw/zinc/92/51/05/1135925105.db2.gz SCRJAJDHFKZIKJ-UHFFFAOYSA-N 1 2 336.420 3.798 20 30 EHEDLO C#C[C@@H](CCC)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000812969563 1136275381 /nfs/dbraw/zinc/27/53/81/1136275381.db2.gz VBJDXWJUPFNRDN-INIZCTEOSA-N 1 2 336.439 3.810 20 30 EHEDLO Cc1ccc(-c2nnc([C@@H](C)O[NH+]=C(N)c3ccc(F)cc3)o2)cc1 ZINC000747864158 1136354205 /nfs/dbraw/zinc/35/42/05/1136354205.db2.gz JONDBMJWQPUJOU-GFCCVEGCSA-N 1 2 340.358 3.582 20 30 EHEDLO CC(C)CCCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000747905669 1136413971 /nfs/dbraw/zinc/41/39/71/1136413971.db2.gz IZGFNYMYMVNFGU-UHFFFAOYSA-N 1 2 341.499 3.809 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000852320197 1136447970 /nfs/dbraw/zinc/44/79/70/1136447970.db2.gz XLNHVPGJJATJPX-LBPRGKRZSA-N 1 2 339.411 3.565 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000852320197 1136447971 /nfs/dbraw/zinc/44/79/71/1136447971.db2.gz XLNHVPGJJATJPX-LBPRGKRZSA-N 1 2 339.411 3.565 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000852411968 1136454713 /nfs/dbraw/zinc/45/47/13/1136454713.db2.gz XENYYPBQGOWFON-LSDHHAIUSA-N 1 2 339.464 3.761 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000852411968 1136454715 /nfs/dbraw/zinc/45/47/15/1136454715.db2.gz XENYYPBQGOWFON-LSDHHAIUSA-N 1 2 339.464 3.761 20 30 EHEDLO OC1CCN(c2ccc(C=[NH+]Nc3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000853314435 1136525419 /nfs/dbraw/zinc/52/54/19/1136525419.db2.gz PWWADSFSIORYDB-UHFFFAOYSA-N 1 2 349.356 3.511 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853626993 1136550238 /nfs/dbraw/zinc/55/02/38/1136550238.db2.gz LWTWZHJQMCKHIM-HNNXBMFYSA-N 1 2 343.500 3.597 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853626993 1136550241 /nfs/dbraw/zinc/55/02/41/1136550241.db2.gz LWTWZHJQMCKHIM-HNNXBMFYSA-N 1 2 343.500 3.597 20 30 EHEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)C(C)(C)C ZINC001135335901 1136666077 /nfs/dbraw/zinc/66/60/77/1136666077.db2.gz NDBIQDZLGHZBGO-IAGOWNOFSA-N 1 2 341.499 3.521 20 30 EHEDLO CN(CCC#N)c1ccc(C[N@H+](C)Cc2c(F)cccc2F)cc1 ZINC000816652433 1136744580 /nfs/dbraw/zinc/74/45/80/1136744580.db2.gz KBXUXCBQFXQNIK-UHFFFAOYSA-N 1 2 329.394 3.947 20 30 EHEDLO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2c(F)cccc2F)cc1 ZINC000816652433 1136744582 /nfs/dbraw/zinc/74/45/82/1136744582.db2.gz KBXUXCBQFXQNIK-UHFFFAOYSA-N 1 2 329.394 3.947 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052603 1136936161 /nfs/dbraw/zinc/93/61/61/1136936161.db2.gz YBHKQNLMALSVLG-KRWDZBQOSA-N 1 2 337.398 3.623 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052603 1136936163 /nfs/dbraw/zinc/93/61/63/1136936163.db2.gz YBHKQNLMALSVLG-KRWDZBQOSA-N 1 2 337.398 3.623 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)N(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000819948887 1136968915 /nfs/dbraw/zinc/96/89/15/1136968915.db2.gz BXDUJAOGTMDZCL-CYBMUJFWSA-N 1 2 334.427 3.650 20 30 EHEDLO C#CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000824325985 1137132292 /nfs/dbraw/zinc/13/22/92/1137132292.db2.gz WLVWNADAYZZTOA-LJQANCHMSA-N 1 2 335.451 3.726 20 30 EHEDLO CC[N@H+](Cc1cn(C)nc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000862224111 1137133095 /nfs/dbraw/zinc/13/30/95/1137133095.db2.gz UKRSSIUPTHNREV-LBPRGKRZSA-N 1 2 347.260 3.637 20 30 EHEDLO CC[N@@H+](Cc1cn(C)nc1Br)[C@@H](C)c1ccc(C#N)cc1 ZINC000862224111 1137133096 /nfs/dbraw/zinc/13/30/96/1137133096.db2.gz UKRSSIUPTHNREV-LBPRGKRZSA-N 1 2 347.260 3.637 20 30 EHEDLO N#Cc1ccc(CC2CC[NH+](Cc3cc(F)c(O)cc3F)CC2)cc1 ZINC001144657966 1137322133 /nfs/dbraw/zinc/32/21/33/1137322133.db2.gz OXSWTCMCMPXSRN-UHFFFAOYSA-N 1 2 342.389 3.997 20 30 EHEDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)OCCO2 ZINC000866240479 1137338054 /nfs/dbraw/zinc/33/80/54/1137338054.db2.gz GPMVIELOUFGJMI-SUMWQHHRSA-N 1 2 338.407 3.837 20 30 EHEDLO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866312278 1137344431 /nfs/dbraw/zinc/34/44/31/1137344431.db2.gz RVVSISUPYIBNHJ-PJSUUKDQSA-N 1 2 340.423 3.699 20 30 EHEDLO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866351410 1137348374 /nfs/dbraw/zinc/34/83/74/1137348374.db2.gz JZCRBIPUZXTFJO-VQIMIIECSA-N 1 2 338.451 3.952 20 30 EHEDLO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cccc(C#N)c1O ZINC000866363264 1137349655 /nfs/dbraw/zinc/34/96/55/1137349655.db2.gz IJLNHXOBOKKYPW-HUUCEWRRSA-N 1 2 339.414 3.580 20 30 EHEDLO C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1cccc(C#N)c1O ZINC000866363249 1137349681 /nfs/dbraw/zinc/34/96/81/1137349681.db2.gz KSKSXVBPLRIABS-NSHDSACASA-N 1 2 335.329 3.571 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(C#N)c1O ZINC000866368879 1137349954 /nfs/dbraw/zinc/34/99/54/1137349954.db2.gz FNROLRASCHTVDM-JGGQBBKZSA-N 1 2 328.437 3.896 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001171230989 1137355163 /nfs/dbraw/zinc/35/51/63/1137355163.db2.gz ZHSOOBSDUMLUBV-INIZCTEOSA-N 1 2 328.419 3.691 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001171230989 1137355165 /nfs/dbraw/zinc/35/51/65/1137355165.db2.gz ZHSOOBSDUMLUBV-INIZCTEOSA-N 1 2 328.419 3.691 20 30 EHEDLO O=C1c2cn(-c3ccccc3)nc2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000794952929 1137377880 /nfs/dbraw/zinc/37/78/80/1137377880.db2.gz KCOSGUMHNMWCKO-QINSGFPZSA-N 1 2 340.386 3.733 20 30 EHEDLO C#C[C@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000847032576 1137383740 /nfs/dbraw/zinc/38/37/40/1137383740.db2.gz WWTDLXYDEMGYKK-AWEZNQCLSA-N 1 2 330.428 3.706 20 30 EHEDLO C#C[C@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000847032576 1137383741 /nfs/dbraw/zinc/38/37/41/1137383741.db2.gz WWTDLXYDEMGYKK-AWEZNQCLSA-N 1 2 330.428 3.706 20 30 EHEDLO C#CCOc1cccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001146476980 1137390876 /nfs/dbraw/zinc/39/08/76/1137390876.db2.gz BJQRDDXWKDAHDZ-LJQANCHMSA-N 1 2 345.402 3.582 20 30 EHEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171832655 1137515178 /nfs/dbraw/zinc/51/51/78/1137515178.db2.gz XOBCFJPGMCVKQG-QAPCUYQASA-N 1 2 335.492 3.836 20 30 EHEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171841284 1137515558 /nfs/dbraw/zinc/51/55/58/1137515558.db2.gz OZGQJTOSRARRHH-CRAIPNDOSA-N 1 2 335.492 3.981 20 30 EHEDLO CC(C)C[C@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172294717 1137548567 /nfs/dbraw/zinc/54/85/67/1137548567.db2.gz KQVXLDSRPFADSJ-QAPCUYQASA-N 1 2 330.472 3.835 20 30 EHEDLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000123755904 1137554571 /nfs/dbraw/zinc/55/45/71/1137554571.db2.gz WAMYZGQMDFBPDT-UHFFFAOYSA-N 1 2 346.837 3.768 20 30 EHEDLO N#CCOc1ccc(C[N@H+](Cc2cccnc2)Cc2ccccn2)cc1 ZINC001137119376 1137674656 /nfs/dbraw/zinc/67/46/56/1137674656.db2.gz KJUPZBMLENAIEB-UHFFFAOYSA-N 1 2 344.418 3.581 20 30 EHEDLO N#CCOc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccccn2)cc1 ZINC001137119376 1137674657 /nfs/dbraw/zinc/67/46/57/1137674657.db2.gz KJUPZBMLENAIEB-UHFFFAOYSA-N 1 2 344.418 3.581 20 30 EHEDLO C#C[C@@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000877512935 1137679134 /nfs/dbraw/zinc/67/91/34/1137679134.db2.gz GOKXVRGKSCDHEO-AWEZNQCLSA-N 1 2 347.871 3.983 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1)C(C)C ZINC000877513458 1137679231 /nfs/dbraw/zinc/67/92/31/1137679231.db2.gz WPIZFDFSNMFNTQ-QGZVFWFLSA-N 1 2 327.453 3.575 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878887345 1137731009 /nfs/dbraw/zinc/73/10/09/1137731009.db2.gz CHMZDHLZBCVXGI-TUNNFDKTSA-N 1 2 347.462 3.859 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878887345 1137731010 /nfs/dbraw/zinc/73/10/10/1137731010.db2.gz CHMZDHLZBCVXGI-TUNNFDKTSA-N 1 2 347.462 3.859 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879563945 1137751193 /nfs/dbraw/zinc/75/11/93/1137751193.db2.gz FTXFNDNZKGQCKT-TZMCWYRMSA-N 1 2 337.286 3.506 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879563945 1137751194 /nfs/dbraw/zinc/75/11/94/1137751194.db2.gz FTXFNDNZKGQCKT-TZMCWYRMSA-N 1 2 337.286 3.506 20 30 EHEDLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000879748499 1137757614 /nfs/dbraw/zinc/75/76/14/1137757614.db2.gz DJRJDFJTFBADGM-SFHVURJKSA-N 1 2 345.406 3.649 20 30 EHEDLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000879748499 1137757615 /nfs/dbraw/zinc/75/76/15/1137757615.db2.gz DJRJDFJTFBADGM-SFHVURJKSA-N 1 2 345.406 3.649 20 30 EHEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000885336172 1137995723 /nfs/dbraw/zinc/99/57/23/1137995723.db2.gz QNJJDIRJXPFOOL-UHFFFAOYSA-N 1 2 343.452 3.533 20 30 EHEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cs1 ZINC000184719371 1140117095 /nfs/dbraw/zinc/11/70/95/1140117095.db2.gz PEYKAGDHURRFOS-SNVBAGLBSA-N 1 2 348.859 3.520 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184894321 1140124697 /nfs/dbraw/zinc/12/46/97/1140124697.db2.gz KMWMQCWKVPVCBA-HOTGVXAUSA-N 1 2 341.455 3.805 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186917917 1140228333 /nfs/dbraw/zinc/22/83/33/1140228333.db2.gz TVBSPRTXBHURJT-ZDUSSCGKSA-N 1 2 349.862 3.558 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186917917 1140228334 /nfs/dbraw/zinc/22/83/34/1140228334.db2.gz TVBSPRTXBHURJT-ZDUSSCGKSA-N 1 2 349.862 3.558 20 30 EHEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccsc3)CC2)c(C#N)c1C ZINC000186955543 1140229742 /nfs/dbraw/zinc/22/97/42/1140229742.db2.gz COQMKVPHSCIMFV-UHFFFAOYSA-N 1 2 343.452 3.648 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000188597955 1140302149 /nfs/dbraw/zinc/30/21/49/1140302149.db2.gz GRUYXGGUJDRIFL-FQEVSTJZSA-N 1 2 329.488 3.749 20 30 EHEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000266444004 1140688197 /nfs/dbraw/zinc/68/81/97/1140688197.db2.gz WNVKNGIAZZBXBK-UHFFFAOYSA-N 1 2 337.814 3.798 20 30 EHEDLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(C#N)cc1 ZINC000266509897 1140696624 /nfs/dbraw/zinc/69/66/24/1140696624.db2.gz XHQHVTVSDVFEMP-OWCLPIDISA-N 1 2 336.439 3.740 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1OC ZINC000268168968 1140896043 /nfs/dbraw/zinc/89/60/43/1140896043.db2.gz GFPJJAQIJDAZQX-UHFFFAOYSA-N 1 2 347.484 3.699 20 30 EHEDLO C=CCNC(=O)C[N@@H+](CCC)[C@H](C)c1ccccc1Br ZINC000052134865 214119275 /nfs/dbraw/zinc/11/92/75/214119275.db2.gz UBCDBFUUJAUNIF-CYBMUJFWSA-N 1 2 339.277 3.524 20 30 EHEDLO C=CCNC(=O)C[N@H+](CCC)[C@H](C)c1ccccc1Br ZINC000052134865 214119278 /nfs/dbraw/zinc/11/92/78/214119278.db2.gz UBCDBFUUJAUNIF-CYBMUJFWSA-N 1 2 339.277 3.524 20 30 EHEDLO CCn1nc(CNc2[nH+]cccc2OCCCC#N)c2ccccc21 ZINC000274556180 1014228185 /nfs/dbraw/zinc/22/81/85/1014228185.db2.gz XKVBUKHRXPQBQH-UHFFFAOYSA-N 1 2 335.411 3.746 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430222965 1015091284 /nfs/dbraw/zinc/09/12/84/1015091284.db2.gz VGPDTKYWQAVWOL-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430222965 1015091295 /nfs/dbraw/zinc/09/12/95/1015091295.db2.gz VGPDTKYWQAVWOL-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1 ZINC000340363804 1017037221 /nfs/dbraw/zinc/03/72/21/1017037221.db2.gz NMPQVHUAJMVWSG-MRXNPFEDSA-N 1 2 327.453 3.783 20 30 EHEDLO CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602084066 1032619581 /nfs/dbraw/zinc/61/95/81/1032619581.db2.gz PCZGPUNLINGFPH-APWZRJJASA-N 1 2 338.455 3.952 20 30 EHEDLO CCOc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000549164897 1017461990 /nfs/dbraw/zinc/46/19/90/1017461990.db2.gz IDDONPUALSENNZ-AWEZNQCLSA-N 1 2 348.406 3.858 20 30 EHEDLO Cc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)nc(C2CCC2)[nH+]1 ZINC000893029405 1018214810 /nfs/dbraw/zinc/21/48/10/1018214810.db2.gz FNGAMRTXFGNCAJ-GOSISDBHSA-N 1 2 334.423 3.502 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)cc1 ZINC000513412150 1019639967 /nfs/dbraw/zinc/63/99/67/1019639967.db2.gz VRYKFOOTRLWREY-NRFANRHFSA-N 1 2 339.435 3.834 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)cc1 ZINC000513412150 1019639985 /nfs/dbraw/zinc/63/99/85/1019639985.db2.gz VRYKFOOTRLWREY-NRFANRHFSA-N 1 2 339.435 3.834 20 30 EHEDLO COc1c(Br)cccc1CNc1cc(CC#N)cc[nH+]1 ZINC000548138937 1020077315 /nfs/dbraw/zinc/07/73/15/1020077315.db2.gz YJBSCWTYUYIZGV-UHFFFAOYSA-N 1 2 332.201 3.531 20 30 EHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581313333 1020669715 /nfs/dbraw/zinc/66/97/15/1020669715.db2.gz BNGCVTSRKVLZJG-KGLIPLIRSA-N 1 2 328.441 3.725 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(Br)s3)CC2)c1 ZINC000341227424 1021131268 /nfs/dbraw/zinc/13/12/68/1021131268.db2.gz MNVPZGGJIMZKSC-UHFFFAOYSA-N 1 2 334.242 3.556 20 30 EHEDLO N#Cc1c(Cl)nsc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000051149662 1021398690 /nfs/dbraw/zinc/39/86/90/1021398690.db2.gz UTYDWPKWWCVAKM-DAXSKMNVSA-N 1 2 344.871 3.504 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(Br)cc1 ZINC000894869780 1021542345 /nfs/dbraw/zinc/54/23/45/1021542345.db2.gz DLINAOVTLMQCRH-MRXNPFEDSA-N 1 2 346.272 3.865 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cncn1C(C)C)c1ccc(Br)cc1 ZINC000894871826 1021544048 /nfs/dbraw/zinc/54/40/48/1021544048.db2.gz XEQNBSQPTWJMKW-INIZCTEOSA-N 1 2 332.245 3.691 20 30 EHEDLO Cc1nc2sccn2c1C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000440934487 1021883128 /nfs/dbraw/zinc/88/31/28/1021883128.db2.gz JJAXKGXDLKGSDF-UHFFFAOYSA-N 1 2 329.856 3.841 20 30 EHEDLO Cc1nc2sccn2c1C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000440934487 1021883138 /nfs/dbraw/zinc/88/31/38/1021883138.db2.gz JJAXKGXDLKGSDF-UHFFFAOYSA-N 1 2 329.856 3.841 20 30 EHEDLO C=C(Cl)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000045965385 1022249269 /nfs/dbraw/zinc/24/92/69/1022249269.db2.gz QOJUEGVASQMDPD-UHFFFAOYSA-N 1 2 348.903 3.767 20 30 EHEDLO C[C@H]1C[C@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC1=O ZINC000328920642 1022545598 /nfs/dbraw/zinc/54/55/98/1022545598.db2.gz LYBYKYHMFAGDNW-QWHCGFSZSA-N 1 2 335.473 3.722 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)c(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000127067979 1022875853 /nfs/dbraw/zinc/87/58/53/1022875853.db2.gz SSUXTIJKUINFLU-AWEZNQCLSA-N 1 2 333.313 3.630 20 30 EHEDLO C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccc(C#N)cc1 ZINC000341658080 1022878648 /nfs/dbraw/zinc/87/86/48/1022878648.db2.gz MSNSQIYJKDUOCM-KXBFYZLASA-N 1 2 344.418 3.681 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430942721 1022911341 /nfs/dbraw/zinc/91/13/41/1022911341.db2.gz DOGCYNXGSVXHCQ-OAQYLSRUSA-N 1 2 338.426 3.921 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430942721 1022911348 /nfs/dbraw/zinc/91/13/48/1022911348.db2.gz DOGCYNXGSVXHCQ-OAQYLSRUSA-N 1 2 338.426 3.921 20 30 EHEDLO COc1cc(C(=O)/C=C/c2cccc3[nH+]ccn32)ccc1OC(F)F ZINC000178943349 1022977474 /nfs/dbraw/zinc/97/74/74/1022977474.db2.gz IQSBLAZGOIRZMT-VOTSOKGWSA-N 1 2 344.317 3.840 20 30 EHEDLO C[C@H](c1ccccc1Cl)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000054175676 1023289024 /nfs/dbraw/zinc/28/90/24/1023289024.db2.gz CBWQCQLHQHEYAR-YJYMSZOUSA-N 1 2 345.874 3.674 20 30 EHEDLO C[C@H](c1ccccc1Cl)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000054175676 1023289030 /nfs/dbraw/zinc/28/90/30/1023289030.db2.gz CBWQCQLHQHEYAR-YJYMSZOUSA-N 1 2 345.874 3.674 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CCO2)c1 ZINC000341806609 1023345082 /nfs/dbraw/zinc/34/50/82/1023345082.db2.gz DONVJLYMZNZUFL-HXUWFJFHSA-N 1 2 347.393 3.819 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CCO2)c1 ZINC000341806609 1023345090 /nfs/dbraw/zinc/34/50/90/1023345090.db2.gz DONVJLYMZNZUFL-HXUWFJFHSA-N 1 2 347.393 3.819 20 30 EHEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCOCC23CCCC3)cc1 ZINC000535681998 1023561095 /nfs/dbraw/zinc/56/10/95/1023561095.db2.gz UWMCDUDBBQNRRL-UHFFFAOYSA-N 1 2 339.357 3.582 20 30 EHEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCOCC23CCCC3)cc1 ZINC000535681998 1023561096 /nfs/dbraw/zinc/56/10/96/1023561096.db2.gz UWMCDUDBBQNRRL-UHFFFAOYSA-N 1 2 339.357 3.582 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000341999885 1023750194 /nfs/dbraw/zinc/75/01/94/1023750194.db2.gz YQXKBSXGHVIRMK-UHFFFAOYSA-N 1 2 345.830 3.747 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2ccccc2Br)cc1C#N ZINC000087833213 1024051257 /nfs/dbraw/zinc/05/12/57/1024051257.db2.gz JZQLUKASNPLOSP-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2ccccc2Br)cc1C#N ZINC000087833213 1024051275 /nfs/dbraw/zinc/05/12/75/1024051275.db2.gz JZQLUKASNPLOSP-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCCC12CCCC2 ZINC000329838061 1024218568 /nfs/dbraw/zinc/21/85/68/1024218568.db2.gz VPDLKEAJJOZQOM-MRXNPFEDSA-N 1 2 330.476 3.726 20 30 EHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330126422 1024326547 /nfs/dbraw/zinc/32/65/47/1024326547.db2.gz MIZWHBFCHIXLDO-FUHIMQAGSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330126422 1024326558 /nfs/dbraw/zinc/32/65/58/1024326558.db2.gz MIZWHBFCHIXLDO-FUHIMQAGSA-N 1 2 346.471 3.550 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000330162912 1024338318 /nfs/dbraw/zinc/33/83/18/1024338318.db2.gz ANELTLHLBXRIAG-VYDXJSESSA-N 1 2 349.450 3.599 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000330162912 1024338331 /nfs/dbraw/zinc/33/83/31/1024338331.db2.gz ANELTLHLBXRIAG-VYDXJSESSA-N 1 2 349.450 3.599 20 30 EHEDLO CC[N@H+](CC(=O)NCC1CCC(C#N)CC1)Cc1ccccc1Cl ZINC000509984558 1024343264 /nfs/dbraw/zinc/34/32/64/1024343264.db2.gz IOTIABRGOUZSFL-UHFFFAOYSA-N 1 2 347.890 3.608 20 30 EHEDLO CC[N@@H+](CC(=O)NCC1CCC(C#N)CC1)Cc1ccccc1Cl ZINC000509984558 1024343283 /nfs/dbraw/zinc/34/32/83/1024343283.db2.gz IOTIABRGOUZSFL-UHFFFAOYSA-N 1 2 347.890 3.608 20 30 EHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000330188546 1024347536 /nfs/dbraw/zinc/34/75/36/1024347536.db2.gz LEWPBNSYNKALMX-RCCFBDPRSA-N 1 2 330.476 3.539 20 30 EHEDLO CC(C)(C)c1ccc(C#N)c(N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000895355259 1024372274 /nfs/dbraw/zinc/37/22/74/1024372274.db2.gz VSBKEIDYWYDNFJ-UHFFFAOYSA-N 1 2 335.455 3.727 20 30 EHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCOCC3)n2)C1 ZINC000330261422 1024374844 /nfs/dbraw/zinc/37/48/44/1024374844.db2.gz PCRALNIPEXGJRO-UONOGXRCSA-N 1 2 337.489 3.780 20 30 EHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCOCC3)n2)C1 ZINC000330261422 1024374856 /nfs/dbraw/zinc/37/48/56/1024374856.db2.gz PCRALNIPEXGJRO-UONOGXRCSA-N 1 2 337.489 3.780 20 30 EHEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459131117 1024481018 /nfs/dbraw/zinc/48/10/18/1024481018.db2.gz WMSLQZWBNXVIHQ-UHFFFAOYSA-N 1 2 327.403 3.735 20 30 EHEDLO Cc1cc(F)ncc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000892076047 1024587218 /nfs/dbraw/zinc/58/72/18/1024587218.db2.gz RMCQSACKONEQDK-UHFFFAOYSA-N 1 2 330.247 3.846 20 30 EHEDLO Cc1cc(F)ncc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000892076047 1024587229 /nfs/dbraw/zinc/58/72/29/1024587229.db2.gz RMCQSACKONEQDK-UHFFFAOYSA-N 1 2 330.247 3.846 20 30 EHEDLO N#Cc1ccc(-c2noc([C@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)nc1 ZINC001211884788 1024663631 /nfs/dbraw/zinc/66/36/31/1024663631.db2.gz HURHFYDUECWIFY-NVXWUHKLSA-N 1 2 331.379 3.559 20 30 EHEDLO C=CC[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343355504 1024693018 /nfs/dbraw/zinc/69/30/18/1024693018.db2.gz WSBVIGAPIQBHGG-GOSISDBHSA-N 1 2 332.407 3.625 20 30 EHEDLO C[C@@H]1CN(Cc2ccccc2C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1C#N ZINC000346436408 1024732361 /nfs/dbraw/zinc/73/23/61/1024732361.db2.gz QRAFQPYNEOCXHZ-HDICACEKSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@@H]1CN(Cc2ccccc2C#N)[C@@H](C)C[N@H+]1Cc1ccccc1C#N ZINC000346436408 1024732372 /nfs/dbraw/zinc/73/23/72/1024732372.db2.gz QRAFQPYNEOCXHZ-HDICACEKSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@@H](C)CN1Cc1ccccc1C#N ZINC000346436408 1024732382 /nfs/dbraw/zinc/73/23/82/1024732382.db2.gz QRAFQPYNEOCXHZ-HDICACEKSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@@H](C)CN1Cc1ccccc1C#N ZINC000346436408 1024732394 /nfs/dbraw/zinc/73/23/94/1024732394.db2.gz QRAFQPYNEOCXHZ-HDICACEKSA-N 1 2 344.462 3.525 20 30 EHEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000582071152 1025173189 /nfs/dbraw/zinc/17/31/89/1025173189.db2.gz JGAHZFFODGDYAJ-SMDDNHRTSA-N 1 2 346.431 3.558 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1ccccc1 ZINC000027775347 1025214525 /nfs/dbraw/zinc/21/45/25/1025214525.db2.gz PEYGJUQNNCLKTA-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1ccccc1 ZINC000027775347 1025214534 /nfs/dbraw/zinc/21/45/34/1025214534.db2.gz PEYGJUQNNCLKTA-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO C=CCC(CC=C)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281761775 1025451990 /nfs/dbraw/zinc/45/19/90/1025451990.db2.gz KGLCSXAFCRXLLP-QGZVFWFLSA-N 1 2 327.472 3.694 20 30 EHEDLO C=CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(OC)cc1 ZINC000442803952 1025497203 /nfs/dbraw/zinc/49/72/03/1025497203.db2.gz VMVDNXJWPAHTPD-UHFFFAOYSA-N 1 2 325.334 3.625 20 30 EHEDLO C=CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(OC)cc1 ZINC000442803952 1025497215 /nfs/dbraw/zinc/49/72/15/1025497215.db2.gz VMVDNXJWPAHTPD-UHFFFAOYSA-N 1 2 325.334 3.625 20 30 EHEDLO CC1=CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000436256321 1025515122 /nfs/dbraw/zinc/51/51/22/1025515122.db2.gz AIRRVGDLOBTERB-AWEZNQCLSA-N 1 2 343.496 3.868 20 30 EHEDLO CC1=CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000436256321 1025515129 /nfs/dbraw/zinc/51/51/29/1025515129.db2.gz AIRRVGDLOBTERB-AWEZNQCLSA-N 1 2 343.496 3.868 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCO[C@@H](C)C3)n2)C1 ZINC000329236799 1025686086 /nfs/dbraw/zinc/68/60/86/1025686086.db2.gz ONAKTCNSRCWGHW-RDBSUJKOSA-N 1 2 337.489 3.778 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCO[C@@H](C)C3)n2)C1 ZINC000329236799 1025686093 /nfs/dbraw/zinc/68/60/93/1025686093.db2.gz ONAKTCNSRCWGHW-RDBSUJKOSA-N 1 2 337.489 3.778 20 30 EHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425547455 1025720306 /nfs/dbraw/zinc/72/03/06/1025720306.db2.gz IHAGMKMTWOVTNE-QZTJIDSGSA-N 1 2 330.790 3.659 20 30 EHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425547455 1025720322 /nfs/dbraw/zinc/72/03/22/1025720322.db2.gz IHAGMKMTWOVTNE-QZTJIDSGSA-N 1 2 330.790 3.659 20 30 EHEDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c2c(n1)CCCC2 ZINC000892245376 1025788916 /nfs/dbraw/zinc/78/89/16/1025788916.db2.gz WGYZIFCJCLLVBN-JOCHJYFZSA-N 1 2 347.462 3.714 20 30 EHEDLO Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c2c(n1)CCCC2 ZINC000892245376 1025788930 /nfs/dbraw/zinc/78/89/30/1025788930.db2.gz WGYZIFCJCLLVBN-JOCHJYFZSA-N 1 2 347.462 3.714 20 30 EHEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2O[C@@H](C)CC)nn1 ZINC000657393149 1025875873 /nfs/dbraw/zinc/87/58/73/1025875873.db2.gz NLEZVFYTBHLBOW-INIZCTEOSA-N 1 2 328.460 3.630 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(C#N)c(O)c3)c2)[nH+]c1C ZINC000785409757 1026045989 /nfs/dbraw/zinc/04/59/89/1026045989.db2.gz JRGBYLJVWSMLCN-UHFFFAOYSA-N 1 2 332.363 3.523 20 30 EHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000342532395 1026133943 /nfs/dbraw/zinc/13/39/43/1026133943.db2.gz ACDCWYUZXBDZJS-CYBMUJFWSA-N 1 2 344.821 3.629 20 30 EHEDLO C#C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000934518537 1026572822 /nfs/dbraw/zinc/57/28/22/1026572822.db2.gz JOASFVBMUKGFQJ-QGZVFWFLSA-N 1 2 347.418 3.886 20 30 EHEDLO C#C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000934518537 1026572835 /nfs/dbraw/zinc/57/28/35/1026572835.db2.gz JOASFVBMUKGFQJ-QGZVFWFLSA-N 1 2 347.418 3.886 20 30 EHEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000582554347 1026577451 /nfs/dbraw/zinc/57/74/51/1026577451.db2.gz KDFCDXKZKNCPRB-SECBINFHSA-N 1 2 334.634 3.867 20 30 EHEDLO C=CCOc1ccccc1CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301883258 1026978086 /nfs/dbraw/zinc/97/80/86/1026978086.db2.gz KZWKSVGTOGFDPU-UHFFFAOYSA-N 1 2 337.427 3.758 20 30 EHEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cnn(Cc2ccccc2)c1 ZINC000428349979 1027268251 /nfs/dbraw/zinc/26/82/51/1027268251.db2.gz CJULBBSHZRITBF-HNNXBMFYSA-N 1 2 334.398 3.793 20 30 EHEDLO C=CCCCN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000347334516 1027765068 /nfs/dbraw/zinc/76/50/68/1027765068.db2.gz DGUVNRJJCDGWOK-MRXNPFEDSA-N 1 2 331.460 3.510 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000533427388 1027855084 /nfs/dbraw/zinc/85/50/84/1027855084.db2.gz MWAOSPRQQLUJJF-KBPBESRZSA-N 1 2 336.526 3.729 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCc3cccc(Cl)c3)CCO2)c1 ZINC000459367966 1028045556 /nfs/dbraw/zinc/04/55/56/1028045556.db2.gz VUXBYUFIPMJIQP-LJQANCHMSA-N 1 2 326.827 3.828 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCc3cccc(Cl)c3)CCO2)c1 ZINC000459367966 1028045575 /nfs/dbraw/zinc/04/55/75/1028045575.db2.gz VUXBYUFIPMJIQP-LJQANCHMSA-N 1 2 326.827 3.828 20 30 EHEDLO COc1cc(C[N@H+](C)Cc2ccccc2C#N)ccc1OC(F)F ZINC000016377969 1028308319 /nfs/dbraw/zinc/30/83/19/1028308319.db2.gz CQGNWTALTYEAIR-UHFFFAOYSA-N 1 2 332.350 3.800 20 30 EHEDLO COc1cc(C[N@@H+](C)Cc2ccccc2C#N)ccc1OC(F)F ZINC000016377969 1028308336 /nfs/dbraw/zinc/30/83/36/1028308336.db2.gz CQGNWTALTYEAIR-UHFFFAOYSA-N 1 2 332.350 3.800 20 30 EHEDLO CC#CCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000078924123 1028314835 /nfs/dbraw/zinc/31/48/35/1028314835.db2.gz OWJZAASYNZXXQC-GFCCVEGCSA-N 1 2 334.876 3.659 20 30 EHEDLO C=CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nnc1C1CC1 ZINC000068887515 1028411443 /nfs/dbraw/zinc/41/14/43/1028411443.db2.gz QKDZSGNQMKTPNN-UHFFFAOYSA-N 1 2 325.441 3.590 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1 ZINC000069069953 1028416647 /nfs/dbraw/zinc/41/66/47/1028416647.db2.gz OWQNWVYXDVLOMA-QGZVFWFLSA-N 1 2 339.439 3.836 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccco2)c1 ZINC000069069953 1028416658 /nfs/dbraw/zinc/41/66/58/1028416658.db2.gz OWQNWVYXDVLOMA-QGZVFWFLSA-N 1 2 339.439 3.836 20 30 EHEDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000052074242 1028660002 /nfs/dbraw/zinc/66/00/02/1028660002.db2.gz YWZHWIMKVOPJRW-MRXNPFEDSA-N 1 2 339.414 3.765 20 30 EHEDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000052074242 1028660012 /nfs/dbraw/zinc/66/00/12/1028660012.db2.gz YWZHWIMKVOPJRW-MRXNPFEDSA-N 1 2 339.414 3.765 20 30 EHEDLO CC1(C#N)CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000272537815 1029504199 /nfs/dbraw/zinc/50/41/99/1029504199.db2.gz JFOXMZGSBBOTAI-FQEVSTJZSA-N 1 2 339.483 3.660 20 30 EHEDLO FC(F)(F)CO[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533341625 1029637960 /nfs/dbraw/zinc/63/79/60/1029637960.db2.gz CZCMXMBRNWUYCJ-HNNXBMFYSA-N 1 2 331.765 3.735 20 30 EHEDLO FC(F)(F)CO[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533341625 1029637965 /nfs/dbraw/zinc/63/79/65/1029637965.db2.gz CZCMXMBRNWUYCJ-HNNXBMFYSA-N 1 2 331.765 3.735 20 30 EHEDLO Cc1nnc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000273625061 1029826775 /nfs/dbraw/zinc/82/67/75/1029826775.db2.gz RHDPWDQWAOSFQL-SNVBAGLBSA-N 1 2 325.359 3.568 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC000483649551 1031257773 /nfs/dbraw/zinc/25/77/73/1031257773.db2.gz WPDFRYDSGQLPNN-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC000483649551 1031257784 /nfs/dbraw/zinc/25/77/84/1031257784.db2.gz WPDFRYDSGQLPNN-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000448714198 1031535072 /nfs/dbraw/zinc/53/50/72/1031535072.db2.gz OHSZNMLLAIEEPL-UHFFFAOYSA-N 1 2 345.406 3.647 20 30 EHEDLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000536204711 1031563053 /nfs/dbraw/zinc/56/30/53/1031563053.db2.gz RIYJVPAORDUBDS-CQSZACIVSA-N 1 2 332.444 3.509 20 30 EHEDLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000536204711 1031563063 /nfs/dbraw/zinc/56/30/63/1031563063.db2.gz RIYJVPAORDUBDS-CQSZACIVSA-N 1 2 332.444 3.509 20 30 EHEDLO C=CCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000117546328 1031749822 /nfs/dbraw/zinc/74/98/22/1031749822.db2.gz GHTCSVBSUFUYAC-UHFFFAOYSA-N 1 2 328.485 3.921 20 30 EHEDLO N#CCCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000566033558 1031989923 /nfs/dbraw/zinc/98/99/23/1031989923.db2.gz ZERQFDWFDWFYMX-UHFFFAOYSA-N 1 2 334.354 3.572 20 30 EHEDLO N#Cc1ccc(CSCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000052927157 1032032592 /nfs/dbraw/zinc/03/25/92/1032032592.db2.gz ZAPGCAWJVQCTCP-UHFFFAOYSA-N 1 2 348.431 3.616 20 30 EHEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2Cl)c1C#N ZINC000574620619 1033322691 /nfs/dbraw/zinc/32/26/91/1033322691.db2.gz AKLQDIDNZFDFEI-GFCCVEGCSA-N 1 2 328.799 3.849 20 30 EHEDLO C[C@H]([NH2+][C@@H](C(F)F)C1CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000598651101 1033366189 /nfs/dbraw/zinc/36/61/89/1033366189.db2.gz WELSPMKSWAYLSM-DZGCQCFKSA-N 1 2 341.446 3.521 20 30 EHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@H]1CCCc2cc(C#N)ccc21 ZINC000842050867 1033391885 /nfs/dbraw/zinc/39/18/85/1033391885.db2.gz ZZFIGZNUBGLIDH-KRWDZBQOSA-N 1 2 346.438 3.942 20 30 EHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000842050868 1033391898 /nfs/dbraw/zinc/39/18/98/1033391898.db2.gz ZZFIGZNUBGLIDH-QGZVFWFLSA-N 1 2 346.438 3.942 20 30 EHEDLO Cc1cc(N2CCC(Nc3ccccc3C#N)CC2)nc(C2CC2)[nH+]1 ZINC000599103015 1033738042 /nfs/dbraw/zinc/73/80/42/1033738042.db2.gz KZAFLYOMVTZPMN-UHFFFAOYSA-N 1 2 333.439 3.615 20 30 EHEDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])o1 ZINC000574992498 1033754584 /nfs/dbraw/zinc/75/45/84/1033754584.db2.gz MXASVHZBSXSYOT-INIZCTEOSA-N 1 2 341.367 3.543 20 30 EHEDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])o1 ZINC000574992498 1033754591 /nfs/dbraw/zinc/75/45/91/1033754591.db2.gz MXASVHZBSXSYOT-INIZCTEOSA-N 1 2 341.367 3.543 20 30 EHEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2n1CCCCC2 ZINC000595798537 1033987324 /nfs/dbraw/zinc/98/73/24/1033987324.db2.gz FCXABFFXOIJMMK-INIZCTEOSA-N 1 2 343.862 3.770 20 30 EHEDLO N#Cc1c(NC(=O)CCCn2cc[nH+]c2)sc2c1CCCCC2 ZINC000604528105 1034414286 /nfs/dbraw/zinc/41/42/86/1034414286.db2.gz VYWIERVJCCLGEP-UHFFFAOYSA-N 1 2 328.441 3.504 20 30 EHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000597228839 1034611787 /nfs/dbraw/zinc/61/17/87/1034611787.db2.gz HHPYSJHRGCTWNF-NRFANRHFSA-N 1 2 343.434 3.670 20 30 EHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000597228839 1034611799 /nfs/dbraw/zinc/61/17/99/1034611799.db2.gz HHPYSJHRGCTWNF-NRFANRHFSA-N 1 2 343.434 3.670 20 30 EHEDLO N#Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1C(F)(F)F ZINC000167282223 1034768455 /nfs/dbraw/zinc/76/84/55/1034768455.db2.gz XJFUMDJAXRXQJF-AWEZNQCLSA-N 1 2 332.329 3.663 20 30 EHEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000008120215 1034860482 /nfs/dbraw/zinc/86/04/82/1034860482.db2.gz DHKAGNQAXNPHFJ-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000008120215 1034860488 /nfs/dbraw/zinc/86/04/88/1034860488.db2.gz DHKAGNQAXNPHFJ-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(CCC#N)CC1 ZINC000571674992 1035586083 /nfs/dbraw/zinc/58/60/83/1035586083.db2.gz MSTLGURFLKHPTM-LBPRGKRZSA-N 1 2 337.826 3.822 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1C#N ZINC000535226403 1036216995 /nfs/dbraw/zinc/21/69/95/1036216995.db2.gz NSEMVFJYLIYJAR-GFCCVEGCSA-N 1 2 344.361 3.816 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1C#N ZINC000535226403 1036217012 /nfs/dbraw/zinc/21/70/12/1036217012.db2.gz NSEMVFJYLIYJAR-GFCCVEGCSA-N 1 2 344.361 3.816 20 30 EHEDLO COc1ccc([C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc2)cc1 ZINC000589309165 1036354082 /nfs/dbraw/zinc/35/40/82/1036354082.db2.gz OCPMMMLJNGEUFI-IBGZPJMESA-N 1 2 335.432 3.903 20 30 EHEDLO COC(=O)c1oc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000464816087 1036826865 /nfs/dbraw/zinc/82/68/65/1036826865.db2.gz RNGMWCDXUZKGSV-MSOLQXFVSA-N 1 2 338.407 3.646 20 30 EHEDLO COC(=O)c1oc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000464816087 1036826883 /nfs/dbraw/zinc/82/68/83/1036826883.db2.gz RNGMWCDXUZKGSV-MSOLQXFVSA-N 1 2 338.407 3.646 20 30 EHEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(C#N)s2)n1 ZINC000378015136 1037662326 /nfs/dbraw/zinc/66/23/26/1037662326.db2.gz YUFZIEGPFXEYFR-NSHDSACASA-N 1 2 340.408 3.529 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4cccc(F)c4)CCC3)o2)c1 ZINC000592145618 1037871218 /nfs/dbraw/zinc/87/12/18/1037871218.db2.gz UMUROPNQLCHXGT-UHFFFAOYSA-N 1 2 348.381 3.916 20 30 EHEDLO N#CC[C@@]1(O)CC[N@H+](Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000592522879 1038020607 /nfs/dbraw/zinc/02/06/07/1038020607.db2.gz SIICPSBUMCPPRL-LJQANCHMSA-N 1 2 342.826 3.983 20 30 EHEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000592522879 1038020614 /nfs/dbraw/zinc/02/06/14/1038020614.db2.gz SIICPSBUMCPPRL-LJQANCHMSA-N 1 2 342.826 3.983 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000668822782 1038877571 /nfs/dbraw/zinc/87/75/71/1038877571.db2.gz CHJNSNJITCZVMO-SCLBCKFNSA-N 1 2 341.398 3.505 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000668822782 1038877594 /nfs/dbraw/zinc/87/75/94/1038877594.db2.gz CHJNSNJITCZVMO-SCLBCKFNSA-N 1 2 341.398 3.505 20 30 EHEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000905849331 1039156841 /nfs/dbraw/zinc/15/68/41/1039156841.db2.gz GLKZBWJKRJQMEF-JTQLQIEISA-N 1 2 326.625 3.636 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162439819 1040008439 /nfs/dbraw/zinc/00/84/39/1040008439.db2.gz ZWMCTUWZGADUEN-UHFFFAOYSA-N 1 2 330.457 3.738 20 30 EHEDLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066845968 1040339696 /nfs/dbraw/zinc/33/96/96/1040339696.db2.gz YQGVGZZANMZAKO-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000066845968 1040339720 /nfs/dbraw/zinc/33/97/20/1040339720.db2.gz YQGVGZZANMZAKO-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO C=CCOc1ccc(Br)cc1NCc1c[nH+]cn1CC ZINC000418093465 1040571656 /nfs/dbraw/zinc/57/16/56/1040571656.db2.gz SLVBIVASTBCRND-UHFFFAOYSA-N 1 2 336.233 3.842 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CCC1 ZINC000418144691 1040657070 /nfs/dbraw/zinc/65/70/70/1040657070.db2.gz URBHQZOLFRJXPG-UHFFFAOYSA-N 1 2 345.187 3.834 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000364285017 1040684798 /nfs/dbraw/zinc/68/47/98/1040684798.db2.gz UIFZFFLHKIQEHD-GJZGRUSLSA-N 1 2 344.352 3.675 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000364285017 1040684808 /nfs/dbraw/zinc/68/48/08/1040684808.db2.gz UIFZFFLHKIQEHD-GJZGRUSLSA-N 1 2 344.352 3.675 20 30 EHEDLO N#Cc1ccccc1COc1cccc(C[NH+]2CC3(C2)CCCO3)c1 ZINC000600190668 1040800476 /nfs/dbraw/zinc/80/04/76/1040800476.db2.gz RTWSJVNELUITHK-UHFFFAOYSA-N 1 2 334.419 3.502 20 30 EHEDLO C#Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cn1 ZINC000728812896 1041954784 /nfs/dbraw/zinc/95/47/84/1041954784.db2.gz OYRDABUOKTXQRU-UHFFFAOYSA-N 1 2 342.402 3.515 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC000128800371 1042984257 /nfs/dbraw/zinc/98/42/57/1042984257.db2.gz YVWJALLPRVNFRO-UHFFFAOYSA-N 1 2 328.281 3.936 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC000128800371 1042984260 /nfs/dbraw/zinc/98/42/60/1042984260.db2.gz YVWJALLPRVNFRO-UHFFFAOYSA-N 1 2 328.281 3.936 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000167123713 1043172918 /nfs/dbraw/zinc/17/29/18/1043172918.db2.gz VOLIMRKJLCJLCI-WBMJQRKESA-N 1 2 334.345 3.861 20 30 EHEDLO N#CCC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000153570274 1125633075 /nfs/dbraw/zinc/63/30/75/1125633075.db2.gz WNBCBFNRWHITTO-LJQANCHMSA-N 1 2 330.391 3.647 20 30 EHEDLO CC#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000155041353 1125778428 /nfs/dbraw/zinc/77/84/28/1125778428.db2.gz LKZRJVZNYPRSJT-UHFFFAOYSA-N 1 2 340.496 3.759 20 30 EHEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2csc(C)n2)cc1OC ZINC000623363711 1126932851 /nfs/dbraw/zinc/93/28/51/1126932851.db2.gz BGLJCJWVWFSLKW-UHFFFAOYSA-N 1 2 338.860 3.968 20 30 EHEDLO CC1CC[NH+](c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])cc2)CC1 ZINC000301672725 1128602002 /nfs/dbraw/zinc/60/20/02/1128602002.db2.gz ZSNPXFXSNQFRDJ-UHFFFAOYSA-N 1 2 337.383 3.841 20 30 EHEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C(F)(F)F ZINC000301774013 1128605132 /nfs/dbraw/zinc/60/51/32/1128605132.db2.gz MWJVEDWPWKSSQD-CQSZACIVSA-N 1 2 332.329 3.663 20 30 EHEDLO N#Cc1ccc2nc(NC3CCN(c4cccc[nH+]4)CC3)ccc2c1 ZINC000301795948 1128605927 /nfs/dbraw/zinc/60/59/27/1128605927.db2.gz ABMHUNDFPYMQNG-UHFFFAOYSA-N 1 2 329.407 3.582 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000185522836 1120418276 /nfs/dbraw/zinc/41/82/76/1120418276.db2.gz PNHHJHBUVQQUSA-HUUCEWRRSA-N 1 2 336.426 3.648 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000185522836 1120418279 /nfs/dbraw/zinc/41/82/79/1120418279.db2.gz PNHHJHBUVQQUSA-HUUCEWRRSA-N 1 2 336.426 3.648 20 30 EHEDLO C=CCN(CC=C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000193605043 1120787433 /nfs/dbraw/zinc/78/74/33/1120787433.db2.gz JZJFOXVKECITHD-IRXDYDNUSA-N 1 2 343.471 3.502 20 30 EHEDLO Cc1cnn(C)c1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000347676570 1128964700 /nfs/dbraw/zinc/96/47/00/1128964700.db2.gz ULKWTQGSBDTRMB-UHFFFAOYSA-N 1 2 348.425 3.942 20 30 EHEDLO Cc1cnn(C)c1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000347676570 1128964703 /nfs/dbraw/zinc/96/47/03/1128964703.db2.gz ULKWTQGSBDTRMB-UHFFFAOYSA-N 1 2 348.425 3.942 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccc(C#N)cc1 ZINC000076995351 1128971907 /nfs/dbraw/zinc/97/19/07/1128971907.db2.gz IYVKFDIMJIVAMP-UHFFFAOYSA-N 1 2 349.434 3.612 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccc(C#N)cc1 ZINC000076995351 1128971910 /nfs/dbraw/zinc/97/19/10/1128971910.db2.gz IYVKFDIMJIVAMP-UHFFFAOYSA-N 1 2 349.434 3.612 20 30 EHEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc21 ZINC000916151167 1122080642 /nfs/dbraw/zinc/08/06/42/1122080642.db2.gz AXLFCIUFHWRUSM-CYBMUJFWSA-N 1 2 339.826 3.769 20 30 EHEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc21 ZINC000916151167 1122080649 /nfs/dbraw/zinc/08/06/49/1122080649.db2.gz AXLFCIUFHWRUSM-CYBMUJFWSA-N 1 2 339.826 3.769 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)Cc1cccc(C#N)c1 ZINC000063300678 1122278754 /nfs/dbraw/zinc/27/87/54/1122278754.db2.gz ILKAEOVXNIQFNO-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1C)Cc1cccc(C#N)c1 ZINC000063300678 1122278758 /nfs/dbraw/zinc/27/87/58/1122278758.db2.gz ILKAEOVXNIQFNO-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO Cc1oc(NC(=O)C[NH+]2CCC(C3CCCCC3)CC2)c(C#N)c1C ZINC000917133272 1122529465 /nfs/dbraw/zinc/52/94/65/1122529465.db2.gz AGXFMGZSNIHRGY-UHFFFAOYSA-N 1 2 343.471 3.999 20 30 EHEDLO COc1ccc(C(N)=[NH+]OCCOc2ccc3ccccc3c2)cc1 ZINC000917401971 1122597162 /nfs/dbraw/zinc/59/71/62/1122597162.db2.gz OEDBCBCSDFAWHP-UHFFFAOYSA-N 1 2 336.391 3.564 20 30 EHEDLO CCOc1cccc(/C=[NH+]\CCCOCCc2ccccc2)c1O ZINC000917557345 1122636723 /nfs/dbraw/zinc/63/67/23/1122636723.db2.gz GWVVGACAIXTWLR-PGMHBOJBSA-N 1 2 327.424 3.859 20 30 EHEDLO Cc1ccc(C#N)cc1NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255397816 1129092353 /nfs/dbraw/zinc/09/23/53/1129092353.db2.gz JOGAQDOGWZQLQE-TWGQIWQCSA-N 1 2 328.375 3.704 20 30 EHEDLO N#Cc1ccc(OCC[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000498801026 1123071068 /nfs/dbraw/zinc/07/10/68/1123071068.db2.gz OOHAZZCILBCVMV-GOSISDBHSA-N 1 2 330.378 3.793 20 30 EHEDLO CCOc1ccc(O)c(/C=N\Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000920386811 1123363419 /nfs/dbraw/zinc/36/34/19/1123363419.db2.gz FXGLHGFSIDPVDT-UUYOSTAYSA-N 1 2 339.370 3.735 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCC(=O)Nc2ccc(C(C)C)cc2)ccc1F ZINC000920401498 1123363815 /nfs/dbraw/zinc/36/38/15/1123363815.db2.gz RWSUXPXWTTWSOC-UHFFFAOYSA-N 1 2 343.402 3.533 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616782012 1124032586 /nfs/dbraw/zinc/03/25/86/1124032586.db2.gz RTOKATMUCHGOFI-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616782012 1124032588 /nfs/dbraw/zinc/03/25/88/1124032588.db2.gz RTOKATMUCHGOFI-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO Cc1ccc(-n2cnc3c2CC[N@H+](Cc2ccc(C#N)cc2C)C3)cc1 ZINC000617061156 1124082070 /nfs/dbraw/zinc/08/20/70/1124082070.db2.gz RUABBVUFLUFTPO-UHFFFAOYSA-N 1 2 342.446 3.919 20 30 EHEDLO Cc1ccc(-n2cnc3c2CC[N@@H+](Cc2ccc(C#N)cc2C)C3)cc1 ZINC000617061156 1124082073 /nfs/dbraw/zinc/08/20/73/1124082073.db2.gz RUABBVUFLUFTPO-UHFFFAOYSA-N 1 2 342.446 3.919 20 30 EHEDLO CC[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000735311800 1131334537 /nfs/dbraw/zinc/33/45/37/1131334537.db2.gz VTIXUYSWOAMFNE-GJZGRUSLSA-N 1 2 341.480 3.985 20 30 EHEDLO C[C@@H](c1ccncc1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619295482 1125328924 /nfs/dbraw/zinc/32/89/24/1125328924.db2.gz SJHPEHVMXIQCIG-KXBFYZLASA-N 1 2 340.858 3.678 20 30 EHEDLO N#CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000619535295 1125362490 /nfs/dbraw/zinc/36/24/90/1125362490.db2.gz RAUPXSRCKKYKQM-UHFFFAOYSA-N 1 2 331.759 3.902 20 30 EHEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784631 1125403905 /nfs/dbraw/zinc/40/39/05/1125403905.db2.gz GUYBKFIRFCWGEE-DNVCBOLYSA-N 1 2 340.858 3.678 20 30 EHEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784630 1125404332 /nfs/dbraw/zinc/40/43/32/1125404332.db2.gz GUYBKFIRFCWGEE-BEFAXECRSA-N 1 2 340.858 3.678 20 30 EHEDLO OC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000499948126 1129587867 /nfs/dbraw/zinc/58/78/67/1129587867.db2.gz OMHQKKUSOKZQFF-INIZCTEOSA-N 1 2 338.209 3.807 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000730106082 1130672776 /nfs/dbraw/zinc/67/27/76/1130672776.db2.gz SFHDJGJJYJWADW-UWJYYQICSA-N 1 2 347.462 3.896 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000730106082 1130672778 /nfs/dbraw/zinc/67/27/78/1130672778.db2.gz SFHDJGJJYJWADW-UWJYYQICSA-N 1 2 347.462 3.896 20 30 EHEDLO Cc1ccc(-c2n[nH]cc2C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147925 1130678599 /nfs/dbraw/zinc/67/85/99/1130678599.db2.gz KWPZGYYSJXFUNY-UHFFFAOYSA-N 1 2 327.391 3.801 20 30 EHEDLO COc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1OC(F)F ZINC000730147323 1130679416 /nfs/dbraw/zinc/67/94/16/1130679416.db2.gz BRCWRXNDVRDJIP-UHFFFAOYSA-N 1 2 343.333 3.713 20 30 EHEDLO N#CCOc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000731211828 1130776661 /nfs/dbraw/zinc/77/66/61/1130776661.db2.gz CZOVZQPSAHQSOO-SFHVURJKSA-N 1 2 335.432 3.925 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)OCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000741025204 1131571235 /nfs/dbraw/zinc/57/12/35/1131571235.db2.gz DYDOAHCSTHRBLG-OAHLLOKOSA-N 1 2 342.361 3.935 20 30 EHEDLO CSCCCO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000742357509 1131708875 /nfs/dbraw/zinc/70/88/75/1131708875.db2.gz WOUNAZSKSNAFKL-UHFFFAOYSA-N 1 2 348.443 3.795 20 30 EHEDLO CCCCCCCC[C@@H](CC)[NH2+][C@@H](Cc1cncn1C)C(=O)OC ZINC001172501929 1131761276 /nfs/dbraw/zinc/76/12/76/1131761276.db2.gz FVWOKJICSVTLQW-AEFFLSMTSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCCC[C@@H](CC)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172501929 1131761283 /nfs/dbraw/zinc/76/12/83/1131761283.db2.gz FVWOKJICSVTLQW-AEFFLSMTSA-N 1 2 337.508 3.623 20 30 EHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172559179 1131770489 /nfs/dbraw/zinc/77/04/89/1131770489.db2.gz YCUAXYYCPHYHRM-HKBOAZHASA-N 1 2 348.446 3.568 20 30 EHEDLO C=CCN1CC[NH+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172575424 1131778745 /nfs/dbraw/zinc/77/87/45/1131778745.db2.gz WYNPDKZCCPAFPQ-ZDUSSCGKSA-N 1 2 328.834 3.743 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C2CCCC2)CC1 ZINC000744412072 1132091778 /nfs/dbraw/zinc/09/17/78/1132091778.db2.gz NCLMGCURRXQUGM-IBGZPJMESA-N 1 2 326.440 3.675 20 30 EHEDLO CC(C)C[C@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000745986662 1132344473 /nfs/dbraw/zinc/34/44/73/1132344473.db2.gz OFISYPLBJARVQV-CABCVRRESA-N 1 2 341.480 3.841 20 30 EHEDLO CC(C)C[C@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000745986662 1132344482 /nfs/dbraw/zinc/34/44/82/1132344482.db2.gz OFISYPLBJARVQV-CABCVRRESA-N 1 2 341.480 3.841 20 30 EHEDLO CN(C)c1ccc(Nc2cc(F)c(Br)cc2C#N)c[nH+]1 ZINC001175344478 1132627441 /nfs/dbraw/zinc/62/74/41/1132627441.db2.gz UUPIROUVDOJRBU-UHFFFAOYSA-N 1 2 335.180 3.664 20 30 EHEDLO N#Cc1cc(F)cc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001175683275 1132737519 /nfs/dbraw/zinc/73/75/19/1132737519.db2.gz HBRFNGWLYZCZPU-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO C#C[C@H]([NH2+]Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@@H]1CCCO1 ZINC001169494222 1132770416 /nfs/dbraw/zinc/77/04/16/1132770416.db2.gz FVAFRBDMPWDOJN-ZFWWWQNUSA-N 1 2 332.513 3.664 20 30 EHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C)c(Br)cn1 ZINC001180024654 1133318560 /nfs/dbraw/zinc/31/85/60/1133318560.db2.gz PQGWAJUWYSELED-UHFFFAOYSA-N 1 2 347.231 3.927 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C)c(Br)cn1 ZINC001180024654 1133318563 /nfs/dbraw/zinc/31/85/63/1133318563.db2.gz PQGWAJUWYSELED-UHFFFAOYSA-N 1 2 347.231 3.927 20 30 EHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cncc(Br)c1C ZINC001180031274 1133319262 /nfs/dbraw/zinc/31/92/62/1133319262.db2.gz XBUGAMDAKVDFBA-UHFFFAOYSA-N 1 2 347.231 3.927 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cncc(Br)c1C ZINC001180031274 1133319266 /nfs/dbraw/zinc/31/92/66/1133319266.db2.gz XBUGAMDAKVDFBA-UHFFFAOYSA-N 1 2 347.231 3.927 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1F ZINC000769819826 1133343336 /nfs/dbraw/zinc/34/33/36/1133343336.db2.gz SLSYQGOLTWOOPY-UHFFFAOYSA-N 1 2 344.817 3.834 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)N1CCCC[C@H]1C#N)c1ccccc1Cl ZINC001182220112 1133599176 /nfs/dbraw/zinc/59/91/76/1133599176.db2.gz IWNWOLDHBOLEMT-WMLDXEAASA-N 1 2 333.863 3.628 20 30 EHEDLO C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183019406 1133761042 /nfs/dbraw/zinc/76/10/42/1133761042.db2.gz ZAVDAYPKZIEHKE-FOIQADDNSA-N 1 2 334.423 3.524 20 30 EHEDLO C=CCC[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000786579237 1133869766 /nfs/dbraw/zinc/86/97/66/1133869766.db2.gz QIZRSEUHDZQTBI-UHFFFAOYSA-N 1 2 349.066 3.925 20 30 EHEDLO C=CCC[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000786579237 1133869771 /nfs/dbraw/zinc/86/97/71/1133869771.db2.gz QIZRSEUHDZQTBI-UHFFFAOYSA-N 1 2 349.066 3.925 20 30 EHEDLO COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1c[nH+]c2ccccn12 ZINC000787180549 1133967812 /nfs/dbraw/zinc/96/78/12/1133967812.db2.gz VDPLHTAIPVWICJ-SOFGYWHQSA-N 1 2 340.766 3.670 20 30 EHEDLO N#Cc1ccccc1-c1ccccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000787592900 1134017227 /nfs/dbraw/zinc/01/72/27/1134017227.db2.gz VSCIPJIEHUFKTD-UHFFFAOYSA-N 1 2 329.359 3.559 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000789761475 1134328306 /nfs/dbraw/zinc/32/83/06/1134328306.db2.gz FOROOCPBKMNOPA-UHFFFAOYSA-N 1 2 339.336 3.696 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000789761475 1134328312 /nfs/dbraw/zinc/32/83/12/1134328312.db2.gz FOROOCPBKMNOPA-UHFFFAOYSA-N 1 2 339.336 3.696 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OCC(C)C)c2)n1 ZINC000789761831 1134328585 /nfs/dbraw/zinc/32/85/85/1134328585.db2.gz KYXXIAFOEOACDR-UHFFFAOYSA-N 1 2 325.456 3.573 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OCC(C)C)c2)n1 ZINC000789761831 1134328590 /nfs/dbraw/zinc/32/85/90/1134328590.db2.gz KYXXIAFOEOACDR-UHFFFAOYSA-N 1 2 325.456 3.573 20 30 EHEDLO Clc1cc(Cl)cc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000790202674 1134380394 /nfs/dbraw/zinc/38/03/94/1134380394.db2.gz VVOSYVBGZPKOFM-UHFFFAOYSA-N 1 2 336.226 3.830 20 30 EHEDLO N#CC1(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCCC1 ZINC000791276543 1134525443 /nfs/dbraw/zinc/52/54/43/1134525443.db2.gz ZIEZJSGFPRXSRQ-OAHLLOKOSA-N 1 2 340.471 3.515 20 30 EHEDLO N#CC1(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCCC1 ZINC000791276543 1134525450 /nfs/dbraw/zinc/52/54/50/1134525450.db2.gz ZIEZJSGFPRXSRQ-OAHLLOKOSA-N 1 2 340.471 3.515 20 30 EHEDLO N#Cc1c(NC(=O)c2ccccc2-n2cc[nH+]c2)sc2c1CCC2 ZINC001190075144 1134658329 /nfs/dbraw/zinc/65/83/29/1134658329.db2.gz ONPOTXHCIINZMZ-UHFFFAOYSA-N 1 2 334.404 3.546 20 30 EHEDLO CCCCCCCCOC(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001194753680 1135310506 /nfs/dbraw/zinc/31/05/06/1135310506.db2.gz RBQJDJKHOXFMEB-UHFFFAOYSA-N 1 2 337.464 3.821 20 30 EHEDLO COCC#CC[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC001196237307 1135538968 /nfs/dbraw/zinc/53/89/68/1135538968.db2.gz MBMJSBRHTQLDGB-SFHVURJKSA-N 1 2 331.868 3.999 20 30 EHEDLO COCC#CC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC001196237307 1135538973 /nfs/dbraw/zinc/53/89/73/1135538973.db2.gz MBMJSBRHTQLDGB-SFHVURJKSA-N 1 2 331.868 3.999 20 30 EHEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[C@H](C(F)(F)F)O1 ZINC001197481682 1135694321 /nfs/dbraw/zinc/69/43/21/1135694321.db2.gz JDOIHOFVAJQJPY-SWLSCSKDSA-N 1 2 331.765 3.733 20 30 EHEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@H](C(F)(F)F)O1 ZINC001197481682 1135694325 /nfs/dbraw/zinc/69/43/25/1135694325.db2.gz JDOIHOFVAJQJPY-SWLSCSKDSA-N 1 2 331.765 3.733 20 30 EHEDLO C#CC[N@@H+](Cc1nc(N)c2ccccc2n1)[C@H]1CCCc2ccccc21 ZINC001198103288 1135776192 /nfs/dbraw/zinc/77/61/92/1135776192.db2.gz GTWLZWNTQTXZGU-FQEVSTJZSA-N 1 2 342.446 3.725 20 30 EHEDLO C#CC[N@H+](Cc1nc(N)c2ccccc2n1)[C@H]1CCCc2ccccc21 ZINC001198103288 1135776196 /nfs/dbraw/zinc/77/61/96/1135776196.db2.gz GTWLZWNTQTXZGU-FQEVSTJZSA-N 1 2 342.446 3.725 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1 ZINC000797467709 1135943463 /nfs/dbraw/zinc/94/34/63/1135943463.db2.gz UZDMCTSERFTWQE-SNVBAGLBSA-N 1 2 338.304 3.824 20 30 EHEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000812891811 1136265627 /nfs/dbraw/zinc/26/56/27/1136265627.db2.gz ROXAEVHEHCJSPA-ZDUSSCGKSA-N 1 2 329.469 3.841 20 30 EHEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000812891811 1136265628 /nfs/dbraw/zinc/26/56/28/1136265628.db2.gz ROXAEVHEHCJSPA-ZDUSSCGKSA-N 1 2 329.469 3.841 20 30 EHEDLO C#C[C@](C)(CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000852100566 1136432802 /nfs/dbraw/zinc/43/28/02/1136432802.db2.gz IMWFPTBHPXBNFD-GOSISDBHSA-N 1 2 345.443 3.858 20 30 EHEDLO N#CCCCOc1cccc(C[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338967281 1136672055 /nfs/dbraw/zinc/67/20/55/1136672055.db2.gz FGDPQZOYCNEDPN-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO N#CCCCOc1cccc(C[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC000338967281 1136672059 /nfs/dbraw/zinc/67/20/59/1136672059.db2.gz FGDPQZOYCNEDPN-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000218681810 1136852749 /nfs/dbraw/zinc/85/27/49/1136852749.db2.gz KGZWOJUNZSQVPC-ZDUSSCGKSA-N 1 2 328.412 3.860 20 30 EHEDLO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000218681810 1136852752 /nfs/dbraw/zinc/85/27/52/1136852752.db2.gz KGZWOJUNZSQVPC-ZDUSSCGKSA-N 1 2 328.412 3.860 20 30 EHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000818347608 1136872564 /nfs/dbraw/zinc/87/25/64/1136872564.db2.gz SRRXRKRFJQPQBV-BHDSKKPTSA-N 1 2 344.224 3.536 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1nnc(-c3cccc(F)c3)o1)C2 ZINC000860106649 1137044736 /nfs/dbraw/zinc/04/47/36/1137044736.db2.gz OFGRSHDJTAANMS-UHFFFAOYSA-N 1 2 348.381 3.500 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1nnc(-c3cccc(F)c3)o1)C2 ZINC000860106649 1137044738 /nfs/dbraw/zinc/04/47/38/1137044738.db2.gz OFGRSHDJTAANMS-UHFFFAOYSA-N 1 2 348.381 3.500 20 30 EHEDLO COC(=O)C1(C#N)CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000824867952 1137155323 /nfs/dbraw/zinc/15/53/23/1137155323.db2.gz ZTTDNKBWGNLMJS-UHFFFAOYSA-N 1 2 348.855 3.833 20 30 EHEDLO C=CC[C@@](C)([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1)C(=O)OC ZINC001171074503 1137167238 /nfs/dbraw/zinc/16/72/38/1137167238.db2.gz RTFAENZNVZDIMO-CXAGYDPISA-N 1 2 342.266 3.948 20 30 EHEDLO CC(=O)N1CCCCC12CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143722475 1137193859 /nfs/dbraw/zinc/19/38/59/1137193859.db2.gz BBZSRMVWWBHPAA-UHFFFAOYSA-N 1 2 345.874 3.579 20 30 EHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724598 1137194242 /nfs/dbraw/zinc/19/42/42/1137194242.db2.gz YIEIVBAOAIQLHN-QFBILLFUSA-N 1 2 346.858 3.538 20 30 EHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724598 1137194243 /nfs/dbraw/zinc/19/42/43/1137194243.db2.gz YIEIVBAOAIQLHN-QFBILLFUSA-N 1 2 346.858 3.538 20 30 EHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001143726252 1137194262 /nfs/dbraw/zinc/19/42/62/1137194262.db2.gz JNHCAFLPRXQEEV-MRXNPFEDSA-N 1 2 327.815 3.650 20 30 EHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001143726252 1137194263 /nfs/dbraw/zinc/19/42/63/1137194263.db2.gz JNHCAFLPRXQEEV-MRXNPFEDSA-N 1 2 327.815 3.650 20 30 EHEDLO N#CCC1CC[NH+](Cc2c(F)ccc(F)c2Br)CC1 ZINC001143820023 1137201445 /nfs/dbraw/zinc/20/14/45/1137201445.db2.gz SWOWVFMHRSGFQM-UHFFFAOYSA-N 1 2 329.188 3.853 20 30 EHEDLO C=C[C@](C)(CC)COC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805926825 1137209258 /nfs/dbraw/zinc/20/92/58/1137209258.db2.gz ZKNRCMWJVFBSJC-GOSISDBHSA-N 1 2 336.501 3.809 20 30 EHEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)CCO2 ZINC000794699372 1137236753 /nfs/dbraw/zinc/23/67/53/1137236753.db2.gz BVWFJXUDMFJHLD-NTEUORMPSA-N 1 2 342.464 3.870 20 30 EHEDLO COc1c(C)nc(Cl)cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171177136 1137286886 /nfs/dbraw/zinc/28/68/86/1137286886.db2.gz GDOHHYYFCGJILC-UHFFFAOYSA-N 1 2 341.798 3.948 20 30 EHEDLO N#CCC[C@H]([NH2+]Cc1cccnc1Br)c1ccccc1 ZINC000865509025 1137289995 /nfs/dbraw/zinc/28/99/95/1137289995.db2.gz OBQWQLIGRJLANK-HNNXBMFYSA-N 1 2 330.229 3.979 20 30 EHEDLO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1cccc(C#N)c1O ZINC000866231004 1137336896 /nfs/dbraw/zinc/33/68/96/1137336896.db2.gz LGGREUZDEZDYFF-MRXNPFEDSA-N 1 2 336.435 3.663 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cccc(C#N)c1O ZINC000866240698 1137338201 /nfs/dbraw/zinc/33/82/01/1137338201.db2.gz LTGORWBPTHIORE-HNNXBMFYSA-N 1 2 349.434 3.632 20 30 EHEDLO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1cccc(C#N)c1O ZINC000866363266 1137349727 /nfs/dbraw/zinc/34/97/27/1137349727.db2.gz IJLNHXOBOKKYPW-LSDHHAIUSA-N 1 2 339.414 3.580 20 30 EHEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171365633 1137457591 /nfs/dbraw/zinc/45/75/91/1137457591.db2.gz JDXZOAVWJKFWDC-QGZVFWFLSA-N 1 2 327.378 3.633 20 30 EHEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171365633 1137457593 /nfs/dbraw/zinc/45/75/93/1137457593.db2.gz JDXZOAVWJKFWDC-QGZVFWFLSA-N 1 2 327.378 3.633 20 30 EHEDLO O=[N+]([O-])c1ccc2c(c1)C(=NNc1cc[nH+]c3ccccc13)CCC2 ZINC000773054997 1137462380 /nfs/dbraw/zinc/46/23/80/1137462380.db2.gz TZZQIKLVZJYJJT-UHFFFAOYSA-N 1 2 332.363 3.717 20 30 EHEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC000714949016 1137474516 /nfs/dbraw/zinc/47/45/16/1137474516.db2.gz BOZMJZHTYWHVJM-UHFFFAOYSA-N 1 2 339.258 3.760 20 30 EHEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171832657 1137515159 /nfs/dbraw/zinc/51/51/59/1137515159.db2.gz XOBCFJPGMCVKQG-YJBOKZPZSA-N 1 2 335.492 3.836 20 30 EHEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001171961763 1137519617 /nfs/dbraw/zinc/51/96/17/1137519617.db2.gz AJEWHGYRPPMGQZ-NHYWBVRUSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001171961763 1137519618 /nfs/dbraw/zinc/51/96/18/1137519618.db2.gz AJEWHGYRPPMGQZ-NHYWBVRUSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001171961763 1137519619 /nfs/dbraw/zinc/51/96/19/1137519619.db2.gz AJEWHGYRPPMGQZ-NHYWBVRUSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001171961763 1137519620 /nfs/dbraw/zinc/51/96/20/1137519620.db2.gz AJEWHGYRPPMGQZ-NHYWBVRUSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1 ZINC000873175059 1137592363 /nfs/dbraw/zinc/59/23/63/1137592363.db2.gz DFZPVUAIVQPNHE-CQSZACIVSA-N 1 2 339.439 3.770 20 30 EHEDLO CN(c1ccccc1)C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876648850 1137658181 /nfs/dbraw/zinc/65/81/81/1137658181.db2.gz XXBGJAJCHZVFKC-UHFFFAOYSA-N 1 2 340.858 3.707 20 30 EHEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 ZINC000126128469 1137660135 /nfs/dbraw/zinc/66/01/35/1137660135.db2.gz INDKJSJONUTAQZ-QGZVFWFLSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 ZINC000126128469 1137660136 /nfs/dbraw/zinc/66/01/36/1137660136.db2.gz INDKJSJONUTAQZ-QGZVFWFLSA-N 1 2 339.439 3.664 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000876739446 1137660198 /nfs/dbraw/zinc/66/01/98/1137660198.db2.gz GCUCCSDAEKQBFR-MRXNPFEDSA-N 1 2 329.856 3.897 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000876739446 1137660199 /nfs/dbraw/zinc/66/01/99/1137660199.db2.gz GCUCCSDAEKQBFR-MRXNPFEDSA-N 1 2 329.856 3.897 20 30 EHEDLO COC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(Cl)c1 ZINC000877537038 1137680331 /nfs/dbraw/zinc/68/03/31/1137680331.db2.gz GHGXVNZYFSOPMY-OAHLLOKOSA-N 1 2 336.222 3.737 20 30 EHEDLO C#C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)(C)C ZINC000879033136 1137736004 /nfs/dbraw/zinc/73/60/04/1137736004.db2.gz JNIKOUIKTSLKRT-GOSISDBHSA-N 1 2 348.450 3.771 20 30 EHEDLO C[C@H]1c2sccc2CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000880378490 1137777279 /nfs/dbraw/zinc/77/72/79/1137777279.db2.gz VCIVQYKOUFQMQD-LBPRGKRZSA-N 1 2 336.420 3.789 20 30 EHEDLO C[C@H]1c2sccc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000880378490 1137777280 /nfs/dbraw/zinc/77/72/80/1137777280.db2.gz VCIVQYKOUFQMQD-LBPRGKRZSA-N 1 2 336.420 3.789 20 30 EHEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C1CC1 ZINC000881124011 1137800640 /nfs/dbraw/zinc/80/06/40/1137800640.db2.gz AJILZHIYABPXER-QGZVFWFLSA-N 1 2 335.411 3.501 20 30 EHEDLO N#CC1(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CCCCC1 ZINC000882872072 1137836167 /nfs/dbraw/zinc/83/61/67/1137836167.db2.gz VIGAFZSKGSAPIE-SFHVURJKSA-N 1 2 336.439 3.605 20 30 EHEDLO C=CCCC[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000883035732 1137842307 /nfs/dbraw/zinc/84/23/07/1137842307.db2.gz NEJXFYGHFKPLPF-GOSISDBHSA-N 1 2 326.444 3.670 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1Cl ZINC000282833409 1137869608 /nfs/dbraw/zinc/86/96/08/1137869608.db2.gz ZLCAODHGZGCSHQ-UHFFFAOYSA-N 1 2 334.851 3.541 20 30 EHEDLO Cc1cc(C#N)ccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000121679226 1138248213 /nfs/dbraw/zinc/24/82/13/1138248213.db2.gz XZWIXMJGMQQKCY-UHFFFAOYSA-N 1 2 348.450 3.572 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000125031045 1138299672 /nfs/dbraw/zinc/29/96/72/1138299672.db2.gz RJJOZVUATNSUEC-MRXNPFEDSA-N 1 2 345.855 3.510 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000125031045 1138299675 /nfs/dbraw/zinc/29/96/75/1138299675.db2.gz RJJOZVUATNSUEC-MRXNPFEDSA-N 1 2 345.855 3.510 20 30 EHEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000127208504 1138349842 /nfs/dbraw/zinc/34/98/42/1138349842.db2.gz VMGCYISKKDBYBD-ROUUACIJSA-N 1 2 334.410 3.595 20 30 EHEDLO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000127208504 1138349845 /nfs/dbraw/zinc/34/98/45/1138349845.db2.gz VMGCYISKKDBYBD-ROUUACIJSA-N 1 2 334.410 3.595 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000127959267 1138376523 /nfs/dbraw/zinc/37/65/23/1138376523.db2.gz WIUPAFCSLIWDNH-HNNXBMFYSA-N 1 2 341.480 3.991 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000127959267 1138376524 /nfs/dbraw/zinc/37/65/24/1138376524.db2.gz WIUPAFCSLIWDNH-HNNXBMFYSA-N 1 2 341.480 3.991 20 30 EHEDLO C=CCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000128538013 1138392410 /nfs/dbraw/zinc/39/24/10/1138392410.db2.gz IPXRZTWQKUTGRK-UHFFFAOYSA-N 1 2 328.485 3.590 20 30 EHEDLO CCC(CC)CN(CCC#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264156335 1138430699 /nfs/dbraw/zinc/43/06/99/1138430699.db2.gz IAOLGCZSPDXBCV-UHFFFAOYSA-N 1 2 338.455 3.723 20 30 EHEDLO C=CCCC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000337135617 1138475778 /nfs/dbraw/zinc/47/57/78/1138475778.db2.gz DGJSHFJZDNFGBR-MRXNPFEDSA-N 1 2 327.472 3.672 20 30 EHEDLO Cc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000265286272 1138796056 /nfs/dbraw/zinc/79/60/56/1138796056.db2.gz ASMBESFIZVEXSG-CZUORRHYSA-N 1 2 341.411 3.834 20 30 EHEDLO Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000265286272 1138796058 /nfs/dbraw/zinc/79/60/58/1138796058.db2.gz ASMBESFIZVEXSG-CZUORRHYSA-N 1 2 341.411 3.834 20 30 EHEDLO C[C@H](CCC#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000188199627 1140287285 /nfs/dbraw/zinc/28/72/85/1140287285.db2.gz IDFLLCVNFRMACV-OAHLLOKOSA-N 1 2 341.484 3.647 20 30 EHEDLO CN(CCO)c1ccc([NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000271356022 1141349708 /nfs/dbraw/zinc/34/97/08/1141349708.db2.gz QGDAFOBZIZAKHK-UHFFFAOYSA-N 1 2 349.478 3.931 20 30 EHEDLO C=CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000271426050 1141363961 /nfs/dbraw/zinc/36/39/61/1141363961.db2.gz MGFGXWHSBBDAOJ-CYBMUJFWSA-N 1 2 334.489 3.557 20 30 EHEDLO C=CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000271426050 1141363967 /nfs/dbraw/zinc/36/39/67/1141363967.db2.gz MGFGXWHSBBDAOJ-CYBMUJFWSA-N 1 2 334.489 3.557 20 30 EHEDLO COc1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1C#N ZINC000274377534 1141508571 /nfs/dbraw/zinc/50/85/71/1141508571.db2.gz MBUMESAFYINIDT-SECBINFHSA-N 1 2 341.358 3.893 20 30 EHEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000098072195 219078749 /nfs/dbraw/zinc/07/87/49/219078749.db2.gz XSWCERIZZYISDN-CHWSQXEVSA-N 1 2 343.496 3.844 20 30 EHEDLO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000064807383 1015005683 /nfs/dbraw/zinc/00/56/83/1015005683.db2.gz RCKAVJVVQMCUQX-IBGZPJMESA-N 1 2 347.890 3.751 20 30 EHEDLO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000064807383 1015005691 /nfs/dbraw/zinc/00/56/91/1015005691.db2.gz RCKAVJVVQMCUQX-IBGZPJMESA-N 1 2 347.890 3.751 20 30 EHEDLO C=CC[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000430220661 1015075232 /nfs/dbraw/zinc/07/52/32/1015075232.db2.gz CHZPCJONLCKYJE-UHFFFAOYSA-N 1 2 348.450 3.523 20 30 EHEDLO C=CC[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000430220661 1015075243 /nfs/dbraw/zinc/07/52/43/1015075243.db2.gz CHZPCJONLCKYJE-UHFFFAOYSA-N 1 2 348.450 3.523 20 30 EHEDLO N#Cc1ccc(C2(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)CC2)cc1 ZINC000189246395 1016500703 /nfs/dbraw/zinc/50/07/03/1016500703.db2.gz LZFKKIOLOSFZDS-UHFFFAOYSA-N 1 2 328.375 3.619 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)c(C#N)c1C ZINC000340191922 1016668364 /nfs/dbraw/zinc/66/83/64/1016668364.db2.gz JKMHIZGZVKNROG-ZDUSSCGKSA-N 1 2 329.444 3.773 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)c(C#N)c1C ZINC000340191922 1016668373 /nfs/dbraw/zinc/66/83/73/1016668373.db2.gz JKMHIZGZVKNROG-ZDUSSCGKSA-N 1 2 329.444 3.773 20 30 EHEDLO N#CCCCOc1cccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000459616897 1032329144 /nfs/dbraw/zinc/32/91/44/1032329144.db2.gz QRTNTDWHBAQVPS-UHFFFAOYSA-N 1 2 347.418 3.504 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ncccc3Cl)CC2)c(F)c1 ZINC000528508986 1032411374 /nfs/dbraw/zinc/41/13/74/1032411374.db2.gz XWHHKZBCUJLLML-UHFFFAOYSA-N 1 2 345.805 3.789 20 30 EHEDLO C=C(CC)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000536904667 1032417448 /nfs/dbraw/zinc/41/74/48/1032417448.db2.gz JWUIOLYVVIPIIA-UHFFFAOYSA-N 1 2 342.512 3.981 20 30 EHEDLO Cc1cc(C)c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c(C)[nH+]1 ZINC000459937834 1032531458 /nfs/dbraw/zinc/53/14/58/1032531458.db2.gz XXFMKPCZKLCRHV-UHFFFAOYSA-N 1 2 334.301 3.545 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000537232137 1032570729 /nfs/dbraw/zinc/57/07/29/1032570729.db2.gz NZZRTWDJERENDU-HNNXBMFYSA-N 1 2 331.485 3.737 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000602006290 1032592046 /nfs/dbraw/zinc/59/20/46/1032592046.db2.gz SDWANTCCVKNQEA-UHFFFAOYSA-N 1 2 325.387 3.704 20 30 EHEDLO CC(C)C[N@H+](CCC#N)Cc1cc(Br)cc2c1OCC2 ZINC000228479595 1032664246 /nfs/dbraw/zinc/66/42/46/1032664246.db2.gz KAPQHRMUVZEPFK-UHFFFAOYSA-N 1 2 337.261 3.756 20 30 EHEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(Br)cc2c1OCC2 ZINC000228479595 1032664258 /nfs/dbraw/zinc/66/42/58/1032664258.db2.gz KAPQHRMUVZEPFK-UHFFFAOYSA-N 1 2 337.261 3.756 20 30 EHEDLO CO/[NH+]=C/c1cc(NC2CC(C)(C)N(O)C(C)(C)C2)cc(F)c1F ZINC001167721427 1018278666 /nfs/dbraw/zinc/27/86/66/1018278666.db2.gz YQSWXQYNXBIDCN-KEBDBYFISA-N 1 2 341.402 3.768 20 30 EHEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328724173 1019284191 /nfs/dbraw/zinc/28/41/91/1019284191.db2.gz YKHPGGGAWXOHNY-USXIJHARSA-N 1 2 330.476 3.862 20 30 EHEDLO COc1cccc2cc(C[N@@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)oc21 ZINC000897591614 1032863101 /nfs/dbraw/zinc/86/31/01/1032863101.db2.gz NWCODFWOIMDHMN-HXUWFJFHSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1cccc2cc(C[N@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)oc21 ZINC000897591614 1032863120 /nfs/dbraw/zinc/86/31/20/1032863120.db2.gz NWCODFWOIMDHMN-HXUWFJFHSA-N 1 2 348.402 3.887 20 30 EHEDLO COC(=O)c1cccc(C[NH2+][C@H](CC(F)F)c2ccccc2)c1C#N ZINC000581363434 1020741986 /nfs/dbraw/zinc/74/19/86/1020741986.db2.gz JHPBVLUEXUZUEU-QGZVFWFLSA-N 1 2 344.361 3.831 20 30 EHEDLO Cc1cc2c(s1)N(c1cc(C#N)cnn1)c1ccccc1NC2=[NH2+] ZINC001167463239 1020919390 /nfs/dbraw/zinc/91/93/90/1020919390.db2.gz HKYGZPSPMHRREK-UHFFFAOYSA-N 1 2 332.392 3.538 20 30 EHEDLO CCOc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000255319463 1021079823 /nfs/dbraw/zinc/07/98/23/1021079823.db2.gz DDYHVRPHTOGDFS-FPLPWBNLSA-N 1 2 337.335 3.537 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c(Cl)c1 ZINC000439443575 1021442662 /nfs/dbraw/zinc/44/26/62/1021442662.db2.gz SYOMVQIGKDDJLI-HXUWFJFHSA-N 1 2 338.838 3.886 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c(Cl)c1 ZINC000439443575 1021442666 /nfs/dbraw/zinc/44/26/66/1021442666.db2.gz SYOMVQIGKDDJLI-HXUWFJFHSA-N 1 2 338.838 3.886 20 30 EHEDLO CCN(CCC#N)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425671247 1021457787 /nfs/dbraw/zinc/45/77/87/1021457787.db2.gz HIVRMSLRVQXQJX-UHFFFAOYSA-N 1 2 337.427 3.654 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cn(C(C)C)nc1C)c1ccc(Br)cc1 ZINC000894869659 1021540253 /nfs/dbraw/zinc/54/02/53/1021540253.db2.gz BSELLFDZPAREOA-KRWDZBQOSA-N 1 2 346.272 3.999 20 30 EHEDLO C=CCCCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000471689268 1021704480 /nfs/dbraw/zinc/70/44/80/1021704480.db2.gz RVCCKFBBCLUGHU-UHFFFAOYSA-N 1 2 337.467 3.699 20 30 EHEDLO C=CCCCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000471689268 1021704493 /nfs/dbraw/zinc/70/44/93/1021704493.db2.gz RVCCKFBBCLUGHU-UHFFFAOYSA-N 1 2 337.467 3.699 20 30 EHEDLO C=CCOC(=O)[C@@H](Nc1ccc(F)c(-n2cc[nH+]c2)c1)[C@@H](C)CC ZINC001167962070 1021843913 /nfs/dbraw/zinc/84/39/13/1021843913.db2.gz KTQLCYRWRDFZHQ-GUYCJALGSA-N 1 2 331.391 3.567 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(O)c1Br ZINC000426558309 1021920123 /nfs/dbraw/zinc/92/01/23/1021920123.db2.gz UVVYWQLFSRTUKT-LBPRGKRZSA-N 1 2 326.234 3.704 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(O)c1Br ZINC000426558309 1021920127 /nfs/dbraw/zinc/92/01/27/1021920127.db2.gz UVVYWQLFSRTUKT-LBPRGKRZSA-N 1 2 326.234 3.704 20 30 EHEDLO COc1ccc(C[N@H+](C)CC#Cc2ccccc2Cl)c(OC)c1 ZINC000441146202 1022011382 /nfs/dbraw/zinc/01/13/82/1022011382.db2.gz JDUBDFJSBVTJDQ-UHFFFAOYSA-N 1 2 329.827 3.841 20 30 EHEDLO COc1ccc(C[N@@H+](C)CC#Cc2ccccc2Cl)c(OC)c1 ZINC000441146202 1022011396 /nfs/dbraw/zinc/01/13/96/1022011396.db2.gz JDUBDFJSBVTJDQ-UHFFFAOYSA-N 1 2 329.827 3.841 20 30 EHEDLO O=C(NCC1CCCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000328783471 1022500260 /nfs/dbraw/zinc/50/02/60/1022500260.db2.gz NOHWLFCWYHTYTR-RTBURBONSA-N 1 2 338.455 3.806 20 30 EHEDLO C[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccc(C#N)cc1 ZINC000341658078 1022880173 /nfs/dbraw/zinc/88/01/73/1022880173.db2.gz MSNSQIYJKDUOCM-DNVCBOLYSA-N 1 2 344.418 3.681 20 30 EHEDLO CC(C)c1ccc2ncc(C#N)c(NCc3ccn4cc[nH+]c4c3)c2c1 ZINC000520468374 1023022918 /nfs/dbraw/zinc/02/29/18/1023022918.db2.gz LZRRBYRSNPXHME-UHFFFAOYSA-N 1 2 341.418 3.912 20 30 EHEDLO N#Cc1cc(Cl)ccc1CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000548488734 1023519035 /nfs/dbraw/zinc/51/90/35/1023519035.db2.gz MNPXQXXDKJPAOC-UHFFFAOYSA-N 1 2 326.831 3.683 20 30 EHEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000594008930 1033156768 /nfs/dbraw/zinc/15/67/68/1033156768.db2.gz OFSLZGGYMODMLB-SNVBAGLBSA-N 1 2 333.741 3.579 20 30 EHEDLO CC1(C)CCc2ccccc2[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329653589 1023985542 /nfs/dbraw/zinc/98/55/42/1023985542.db2.gz LIZCRGYQEWWCPU-GOSISDBHSA-N 1 2 338.455 3.717 20 30 EHEDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H](c3[nH+]ccn3C)C1)CCC2 ZINC000329700505 1024103108 /nfs/dbraw/zinc/10/31/08/1024103108.db2.gz GUYLAAWSHGWOLA-AEFFLSMTSA-N 1 2 338.455 3.509 20 30 EHEDLO CO[C@@](C)(C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000329751603 1024177754 /nfs/dbraw/zinc/17/77/54/1024177754.db2.gz VSIVGEPIOUVNPE-YVEFUNNKSA-N 1 2 337.489 3.778 20 30 EHEDLO CO[C@@](C)(C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000329751603 1024177772 /nfs/dbraw/zinc/17/77/72/1024177772.db2.gz VSIVGEPIOUVNPE-YVEFUNNKSA-N 1 2 337.489 3.778 20 30 EHEDLO Cc1cc(N2CCO[C@H](c3ccc(C#N)cc3)C2)nc(C2CCC2)[nH+]1 ZINC000896872583 1024182754 /nfs/dbraw/zinc/18/27/54/1024182754.db2.gz JOXJUTPJJUGGPH-SFHVURJKSA-N 1 2 334.423 3.502 20 30 EHEDLO O=C(NC[C@H]1CCC2(CCCCC2)O1)Nc1ccn2cc[nH+]c2c1 ZINC000329771708 1024188651 /nfs/dbraw/zinc/18/86/51/1024188651.db2.gz GXTXJOACOOWBSH-OAHLLOKOSA-N 1 2 328.416 3.542 20 30 EHEDLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329890247 1024235983 /nfs/dbraw/zinc/23/59/83/1024235983.db2.gz FYPWSANTXLDUSP-QGWWYQLQSA-N 1 2 338.455 3.614 20 30 EHEDLO C[C@@H]1Cc2ccccc2[C@@H]1[NH+]=C([O-])N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329890247 1024235997 /nfs/dbraw/zinc/23/59/97/1024235997.db2.gz FYPWSANTXLDUSP-QGWWYQLQSA-N 1 2 338.455 3.614 20 30 EHEDLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000330151764 1024336973 /nfs/dbraw/zinc/33/69/73/1024336973.db2.gz WIYBYIFANWCSRU-UHFFFAOYSA-N 1 2 332.473 3.566 20 30 EHEDLO Cc1cn2cc(NC(=O)NC[C@H]3CCC4(CCCCC4)O3)ccc2[nH+]1 ZINC000330167379 1024339784 /nfs/dbraw/zinc/33/97/84/1024339784.db2.gz YXGKZXSRFFFRKR-MRXNPFEDSA-N 1 2 342.443 3.851 20 30 EHEDLO COc1cc(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)ccc1C#N ZINC000514636257 1024624611 /nfs/dbraw/zinc/62/46/11/1024624611.db2.gz VAAQKJBWARDSOT-UHFFFAOYSA-N 1 2 333.391 3.820 20 30 EHEDLO C=CC[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343355505 1024692711 /nfs/dbraw/zinc/69/27/11/1024692711.db2.gz WSBVIGAPIQBHGG-SFHVURJKSA-N 1 2 332.407 3.625 20 30 EHEDLO COc1cc(C[N@H+](Cc2cccc(F)c2C#N)C2CC2)ccc1O ZINC000428295440 1024846060 /nfs/dbraw/zinc/84/60/60/1024846060.db2.gz KIHLPQJLSGCRGZ-UHFFFAOYSA-N 1 2 326.371 3.576 20 30 EHEDLO COc1cc(C[N@@H+](Cc2cccc(F)c2C#N)C2CC2)ccc1O ZINC000428295440 1024846084 /nfs/dbraw/zinc/84/60/84/1024846084.db2.gz KIHLPQJLSGCRGZ-UHFFFAOYSA-N 1 2 326.371 3.576 20 30 EHEDLO CCOC(=O)[C@H](Cc1cccc(Cl)c1)[NH2+]CCCC(C)(C)C#N ZINC000602937689 1033260858 /nfs/dbraw/zinc/26/08/58/1033260858.db2.gz LIBXQDYQICDFCJ-INIZCTEOSA-N 1 2 336.863 3.734 20 30 EHEDLO N#CCC[C@@H](C#N)C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425519112 1025597626 /nfs/dbraw/zinc/59/76/26/1025597626.db2.gz WUHOQNWEILQPOG-AWEZNQCLSA-N 1 2 328.485 3.645 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccc(OC)cc1 ZINC000054271891 1026975980 /nfs/dbraw/zinc/97/59/80/1026975980.db2.gz BCELRLRFUPQAEG-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccc(OC)cc1 ZINC000054271891 1026975983 /nfs/dbraw/zinc/97/59/83/1026975983.db2.gz BCELRLRFUPQAEG-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO C=CCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000501208549 1027139691 /nfs/dbraw/zinc/13/96/91/1027139691.db2.gz KERBGLVDNBZZNQ-AWEZNQCLSA-N 1 2 326.234 3.561 20 30 EHEDLO C=CCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000501208549 1027139693 /nfs/dbraw/zinc/13/96/93/1027139693.db2.gz KERBGLVDNBZZNQ-AWEZNQCLSA-N 1 2 326.234 3.561 20 30 EHEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000268232882 1027234555 /nfs/dbraw/zinc/23/45/55/1027234555.db2.gz PDMZECVMTAQKRS-IBGZPJMESA-N 1 2 334.398 3.921 20 30 EHEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000268232882 1027234567 /nfs/dbraw/zinc/23/45/67/1027234567.db2.gz PDMZECVMTAQKRS-IBGZPJMESA-N 1 2 334.398 3.921 20 30 EHEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459308668 1027496522 /nfs/dbraw/zinc/49/65/22/1027496522.db2.gz OUEOVTDNZPYUFU-SFHVURJKSA-N 1 2 337.379 3.812 20 30 EHEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459308668 1027496535 /nfs/dbraw/zinc/49/65/35/1027496535.db2.gz OUEOVTDNZPYUFU-SFHVURJKSA-N 1 2 337.379 3.812 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000342844052 1027603017 /nfs/dbraw/zinc/60/30/17/1027603017.db2.gz XCMWEACPNSUBHR-UHFFFAOYSA-N 1 2 330.325 3.597 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ncc(Br)s3)n2c1 ZINC000179093194 1027662759 /nfs/dbraw/zinc/66/27/59/1027662759.db2.gz LTZKHGPPJBVYPG-ONEGZZNKSA-N 1 2 348.225 3.758 20 30 EHEDLO CC(C)(C#N)CCCC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000444643980 1028128691 /nfs/dbraw/zinc/12/86/91/1028128691.db2.gz CXMFJXHAPHMHGR-UHFFFAOYSA-N 1 2 347.890 3.704 20 30 EHEDLO CC(C)(C#N)CCCC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000444643980 1028128699 /nfs/dbraw/zinc/12/86/99/1028128699.db2.gz CXMFJXHAPHMHGR-UHFFFAOYSA-N 1 2 347.890 3.704 20 30 EHEDLO C=CCOc1ccc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)cc1 ZINC000455539871 1028318475 /nfs/dbraw/zinc/31/84/75/1028318475.db2.gz YKCXXCVXBFFSRM-UHFFFAOYSA-N 1 2 325.412 3.893 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000428380002 1028368692 /nfs/dbraw/zinc/36/86/92/1028368692.db2.gz KOIJUEGJQTVTCH-AWEZNQCLSA-N 1 2 328.412 3.996 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000428380002 1028368711 /nfs/dbraw/zinc/36/87/11/1028368711.db2.gz KOIJUEGJQTVTCH-AWEZNQCLSA-N 1 2 328.412 3.996 20 30 EHEDLO COc1cc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)ccc1C#N ZINC000366929017 1028374669 /nfs/dbraw/zinc/37/46/69/1028374669.db2.gz XUOZBZYVNQFPMW-OAQYLSRUSA-N 1 2 347.393 3.980 20 30 EHEDLO N#Cc1cnn(-c2ccccc2)c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086469 1028486373 /nfs/dbraw/zinc/48/63/73/1028486373.db2.gz QPPHQUKGCPVQEN-UHFFFAOYSA-N 1 2 326.363 3.878 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000073659289 1028569473 /nfs/dbraw/zinc/56/94/73/1028569473.db2.gz JHGLIDRLFIUVRV-AWEZNQCLSA-N 1 2 346.521 3.771 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000073659289 1028569489 /nfs/dbraw/zinc/56/94/89/1028569489.db2.gz JHGLIDRLFIUVRV-AWEZNQCLSA-N 1 2 346.521 3.771 20 30 EHEDLO CC[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524141507 1028905093 /nfs/dbraw/zinc/90/50/93/1028905093.db2.gz PNELGSSXAMWQKN-OAQYLSRUSA-N 1 2 337.442 3.966 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(OC)cc1 ZINC000532925257 1029048651 /nfs/dbraw/zinc/04/86/51/1029048651.db2.gz NOBLSEYZPXCIRO-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(OC)cc1 ZINC000532925257 1029048668 /nfs/dbraw/zinc/04/86/68/1029048668.db2.gz NOBLSEYZPXCIRO-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000424697479 1029276335 /nfs/dbraw/zinc/27/63/35/1029276335.db2.gz OKVXRWAKLDTCPT-UHFFFAOYSA-N 1 2 329.488 3.749 20 30 EHEDLO COc1cc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)ccc1O ZINC000272621989 1029538557 /nfs/dbraw/zinc/53/85/57/1029538557.db2.gz UXMXRAFLPYEPRM-UHFFFAOYSA-N 1 2 343.452 3.650 20 30 EHEDLO CCCCCCCC[C@H](C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001272149592 1029676035 /nfs/dbraw/zinc/67/60/35/1029676035.db2.gz UOXUGHJIOFWRKE-FHWLQOOXSA-N 1 2 338.536 3.695 20 30 EHEDLO CCOc1c(Br)cc(C[N@H+](CC)CCC#N)cc1OC ZINC000127594889 1029926252 /nfs/dbraw/zinc/92/62/52/1029926252.db2.gz HCFFVJPJVGSAQS-UHFFFAOYSA-N 1 2 341.249 3.592 20 30 EHEDLO CCOc1c(Br)cc(C[N@@H+](CC)CCC#N)cc1OC ZINC000127594889 1029926272 /nfs/dbraw/zinc/92/62/72/1029926272.db2.gz HCFFVJPJVGSAQS-UHFFFAOYSA-N 1 2 341.249 3.592 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2cc(C)c(CC)s2)o1)[C@H](C)COC ZINC000661247332 1030911624 /nfs/dbraw/zinc/91/16/24/1030911624.db2.gz PPVCLNNRPJODJB-CYBMUJFWSA-N 1 2 335.473 3.692 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2cc(C)c(CC)s2)o1)[C@H](C)COC ZINC000661247332 1030911639 /nfs/dbraw/zinc/91/16/39/1030911639.db2.gz PPVCLNNRPJODJB-CYBMUJFWSA-N 1 2 335.473 3.692 20 30 EHEDLO Clc1cccc(C#CCNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000161282217 1031449990 /nfs/dbraw/zinc/44/99/90/1031449990.db2.gz FHCJVCDZDRGTCJ-UHFFFAOYSA-N 1 2 340.854 3.636 20 30 EHEDLO Clc1ccc(C#CCNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000085273883 1031723112 /nfs/dbraw/zinc/72/31/12/1031723112.db2.gz MJKUIPNPKCUAND-UHFFFAOYSA-N 1 2 340.854 3.636 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]32)c1C#N ZINC000761089699 1033667857 /nfs/dbraw/zinc/66/78/57/1033667857.db2.gz JHBDEEOWONCPFG-MAUKXSAKSA-N 1 2 340.471 3.515 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H]3C[C@H]32)c1C#N ZINC000761089699 1033667863 /nfs/dbraw/zinc/66/78/63/1033667863.db2.gz JHBDEEOWONCPFG-MAUKXSAKSA-N 1 2 340.471 3.515 20 30 EHEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472351091 1033778062 /nfs/dbraw/zinc/77/80/62/1033778062.db2.gz VSUPGHYMRYTRLU-GOSISDBHSA-N 1 2 347.422 3.674 20 30 EHEDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472351091 1033778072 /nfs/dbraw/zinc/77/80/72/1033778072.db2.gz VSUPGHYMRYTRLU-GOSISDBHSA-N 1 2 347.422 3.674 20 30 EHEDLO Cc1cc(OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N)c(C(C)C)cc1Cl ZINC000608784809 1033886735 /nfs/dbraw/zinc/88/67/35/1033886735.db2.gz VHPYYHJLLXTHOG-DZGCQCFKSA-N 1 2 338.879 3.603 20 30 EHEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c(C(C)C)cc1Cl ZINC000608784809 1033886750 /nfs/dbraw/zinc/88/67/50/1033886750.db2.gz VHPYYHJLLXTHOG-DZGCQCFKSA-N 1 2 338.879 3.603 20 30 EHEDLO Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)nc(N)c2c1C ZINC000595620722 1033902546 /nfs/dbraw/zinc/90/25/46/1033902546.db2.gz PETGCPOFFGBWRM-YPMHNXCESA-N 1 2 329.473 3.577 20 30 EHEDLO Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@@H](CC#N)C3)nc(N)c2c1C ZINC000595620722 1033902553 /nfs/dbraw/zinc/90/25/53/1033902553.db2.gz PETGCPOFFGBWRM-YPMHNXCESA-N 1 2 329.473 3.577 20 30 EHEDLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CC#N)C3)cs2)cc1 ZINC000595612372 1033924675 /nfs/dbraw/zinc/92/46/75/1033924675.db2.gz UZEKKDQCGQCGFW-CQSZACIVSA-N 1 2 327.453 3.944 20 30 EHEDLO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC#N)C3)cs2)cc1 ZINC000595612372 1033924694 /nfs/dbraw/zinc/92/46/94/1033924694.db2.gz UZEKKDQCGQCGFW-CQSZACIVSA-N 1 2 327.453 3.944 20 30 EHEDLO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1cccs1 ZINC000595617102 1033928316 /nfs/dbraw/zinc/92/83/16/1033928316.db2.gz ULPIJUGUWXUIHT-WMLDXEAASA-N 1 2 333.501 3.577 20 30 EHEDLO CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1cccs1 ZINC000595617102 1033928326 /nfs/dbraw/zinc/92/83/26/1033928326.db2.gz ULPIJUGUWXUIHT-WMLDXEAASA-N 1 2 333.501 3.577 20 30 EHEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000595814434 1033991614 /nfs/dbraw/zinc/99/16/14/1033991614.db2.gz GMXWWFAIEUXJID-ZDUSSCGKSA-N 1 2 336.382 3.693 20 30 EHEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000595814434 1033991619 /nfs/dbraw/zinc/99/16/19/1033991619.db2.gz GMXWWFAIEUXJID-ZDUSSCGKSA-N 1 2 336.382 3.693 20 30 EHEDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596996548 1034497435 /nfs/dbraw/zinc/49/74/35/1034497435.db2.gz SZBYZUDRSHYIJN-UHFFFAOYSA-N 1 2 348.372 3.633 20 30 EHEDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596996548 1034497445 /nfs/dbraw/zinc/49/74/45/1034497445.db2.gz SZBYZUDRSHYIJN-UHFFFAOYSA-N 1 2 348.372 3.633 20 30 EHEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000597174377 1034582269 /nfs/dbraw/zinc/58/22/69/1034582269.db2.gz PRQUGXSWTKLHSD-SFHVURJKSA-N 1 2 338.407 3.592 20 30 EHEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000597174377 1034582276 /nfs/dbraw/zinc/58/22/76/1034582276.db2.gz PRQUGXSWTKLHSD-SFHVURJKSA-N 1 2 338.407 3.592 20 30 EHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000612406878 1034897221 /nfs/dbraw/zinc/89/72/21/1034897221.db2.gz VXQNINLCRKROKN-SFHVURJKSA-N 1 2 325.368 3.980 20 30 EHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000612406878 1034897230 /nfs/dbraw/zinc/89/72/30/1034897230.db2.gz VXQNINLCRKROKN-SFHVURJKSA-N 1 2 325.368 3.980 20 30 EHEDLO COc1cccc(C[N@H+](C)Cc2cc(C#N)ccc2Br)c1 ZINC000492354449 1035656347 /nfs/dbraw/zinc/65/63/47/1035656347.db2.gz FNNXNZHKCSARKW-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)c1 ZINC000492354449 1035656359 /nfs/dbraw/zinc/65/63/59/1035656359.db2.gz FNNXNZHKCSARKW-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO N#Cc1csc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1 ZINC000589495194 1036437266 /nfs/dbraw/zinc/43/72/66/1036437266.db2.gz HXEBYFDSSVHOAS-UHFFFAOYSA-N 1 2 341.436 3.688 20 30 EHEDLO N#Cc1csc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1 ZINC000589495194 1036437279 /nfs/dbraw/zinc/43/72/79/1036437279.db2.gz HXEBYFDSSVHOAS-UHFFFAOYSA-N 1 2 341.436 3.688 20 30 EHEDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566357 1036843829 /nfs/dbraw/zinc/84/38/29/1036843829.db2.gz SFQMHGFQCCQZGO-FOIQADDNSA-N 1 2 341.405 3.908 20 30 EHEDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539609020 1036971874 /nfs/dbraw/zinc/97/18/74/1036971874.db2.gz AXENKUQLLBWHNB-IFXJQAMLSA-N 1 2 334.398 3.871 20 30 EHEDLO CCOc1ccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000590956211 1037140407 /nfs/dbraw/zinc/14/04/07/1037140407.db2.gz PRMYGFKDXIQHOZ-CYBMUJFWSA-N 1 2 325.368 3.716 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cc1 ZINC000180943203 1037328271 /nfs/dbraw/zinc/32/82/71/1037328271.db2.gz JDDJORKWWFCCBI-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cc1 ZINC000180943203 1037328288 /nfs/dbraw/zinc/32/82/88/1037328288.db2.gz JDDJORKWWFCCBI-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1ccc([C@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccc(F)cc2)cc1 ZINC000591728466 1037571623 /nfs/dbraw/zinc/57/16/23/1037571623.db2.gz IGUVACWEZUVLEF-FOIQADDNSA-N 1 2 337.398 3.957 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccsc1 ZINC000152942924 1037891228 /nfs/dbraw/zinc/89/12/28/1037891228.db2.gz WSEUMRXEJIOERE-LLVKDONJSA-N 1 2 345.493 3.629 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccsc1 ZINC000152942924 1037891252 /nfs/dbraw/zinc/89/12/52/1037891252.db2.gz WSEUMRXEJIOERE-LLVKDONJSA-N 1 2 345.493 3.629 20 30 EHEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccccc1F ZINC000195500166 1038997199 /nfs/dbraw/zinc/99/71/99/1038997199.db2.gz YULYVOCUJHUHGK-UHFFFAOYSA-N 1 2 341.415 3.540 20 30 EHEDLO C=CCCn1cc(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)nn1 ZINC000653769644 1039035074 /nfs/dbraw/zinc/03/50/74/1039035074.db2.gz DOGOGECTENAKQR-UHFFFAOYSA-N 1 2 334.851 3.541 20 30 EHEDLO C=CCn1cccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000488576335 1039290838 /nfs/dbraw/zinc/29/08/38/1039290838.db2.gz MOHSKFMPDSHBRP-AWEZNQCLSA-N 1 2 344.484 3.615 20 30 EHEDLO C=CCn1cccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000488576335 1039290852 /nfs/dbraw/zinc/29/08/52/1039290852.db2.gz MOHSKFMPDSHBRP-AWEZNQCLSA-N 1 2 344.484 3.615 20 30 EHEDLO C=CCc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1O ZINC000155928024 1039383927 /nfs/dbraw/zinc/38/39/27/1039383927.db2.gz NCRJUVKASWAYIH-UHFFFAOYSA-N 1 2 335.407 3.927 20 30 EHEDLO COCC[N@H+](CC#Cc1cccc(Cl)c1)Cc1scnc1C ZINC000489476182 1040017887 /nfs/dbraw/zinc/01/78/87/1040017887.db2.gz MQSOKHINKIUAHK-UHFFFAOYSA-N 1 2 334.872 3.605 20 30 EHEDLO COCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1scnc1C ZINC000489476182 1040017892 /nfs/dbraw/zinc/01/78/92/1040017892.db2.gz MQSOKHINKIUAHK-UHFFFAOYSA-N 1 2 334.872 3.605 20 30 EHEDLO Oc1ccc(Cl)cc1/C=N\C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000912961596 1040480813 /nfs/dbraw/zinc/48/08/13/1040480813.db2.gz CGLRUUBPOKQOKM-LZAZYHHXSA-N 1 2 344.842 3.538 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000411174582 1040536546 /nfs/dbraw/zinc/53/65/46/1040536546.db2.gz AZAUGUPABGFKQE-HXUWFJFHSA-N 1 2 338.451 3.513 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000411174582 1040536562 /nfs/dbraw/zinc/53/65/62/1040536562.db2.gz AZAUGUPABGFKQE-HXUWFJFHSA-N 1 2 338.451 3.513 20 30 EHEDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000553991268 1040649818 /nfs/dbraw/zinc/64/98/18/1040649818.db2.gz GXDVPBSXUCCYQF-KRWDZBQOSA-N 1 2 345.512 3.816 20 30 EHEDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000553991268 1040649823 /nfs/dbraw/zinc/64/98/23/1040649823.db2.gz GXDVPBSXUCCYQF-KRWDZBQOSA-N 1 2 345.512 3.816 20 30 EHEDLO CCOC(=O)c1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000600120338 1040672835 /nfs/dbraw/zinc/67/28/35/1040672835.db2.gz JNNVYPVXJVJHNY-ICSRJNTNSA-N 1 2 349.434 3.530 20 30 EHEDLO CCOC(=O)c1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000600120338 1040672840 /nfs/dbraw/zinc/67/28/40/1040672840.db2.gz JNNVYPVXJVJHNY-ICSRJNTNSA-N 1 2 349.434 3.530 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000594611311 1042113526 /nfs/dbraw/zinc/11/35/26/1042113526.db2.gz INLOOXZVGAJFSJ-AWEZNQCLSA-N 1 2 347.260 3.725 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000661421653 1042113726 /nfs/dbraw/zinc/11/37/26/1042113726.db2.gz NBPQHWZJOAFKBO-LBPRGKRZSA-N 1 2 333.482 3.711 20 30 EHEDLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(C#Cc2ccccc2)cc1 ZINC001126177293 1042417228 /nfs/dbraw/zinc/41/72/28/1042417228.db2.gz CVMUKLSBMTWTHF-UHFFFAOYSA-N 1 2 337.382 3.986 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccccc1Br ZINC000662081165 1042498661 /nfs/dbraw/zinc/49/86/61/1042498661.db2.gz NKKOVVGFKDMFJR-MCIONIFRSA-N 1 2 349.272 3.959 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccccc1Br ZINC000662081165 1042498663 /nfs/dbraw/zinc/49/86/63/1042498663.db2.gz NKKOVVGFKDMFJR-MCIONIFRSA-N 1 2 349.272 3.959 20 30 EHEDLO CC(C)C1CCC(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000330343790 1042927244 /nfs/dbraw/zinc/92/72/44/1042927244.db2.gz CFVMGEMXNWMAML-UHFFFAOYSA-N 1 2 332.492 3.966 20 30 EHEDLO CC(C)C1CCC(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000330343790 1042927247 /nfs/dbraw/zinc/92/72/47/1042927247.db2.gz CFVMGEMXNWMAML-UHFFFAOYSA-N 1 2 332.492 3.966 20 30 EHEDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000344153961 1043342024 /nfs/dbraw/zinc/34/20/24/1043342024.db2.gz YPBRUWZNYOAWLX-IFXJQAMLSA-N 1 2 334.398 3.871 20 30 EHEDLO N#Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000076180866 1125611108 /nfs/dbraw/zinc/61/11/08/1125611108.db2.gz XGQKIHVSIHXZKL-GHMZBOCLSA-N 1 2 340.242 3.870 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153937677 1125677203 /nfs/dbraw/zinc/67/72/03/1125677203.db2.gz LFIUDEQJYCXHPO-UHFFFAOYSA-N 1 2 344.434 3.899 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CCC3)o2)cc1 ZINC000072597810 1126793540 /nfs/dbraw/zinc/79/35/40/1126793540.db2.gz VNXOGCZZPGSRQL-UHFFFAOYSA-N 1 2 348.381 3.916 20 30 EHEDLO Cc1ncsc1C[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178976607 1127040712 /nfs/dbraw/zinc/04/07/12/1127040712.db2.gz MDYACQOSTPGXFV-UHFFFAOYSA-N 1 2 340.370 3.834 20 30 EHEDLO Cc1ncsc1C[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000178976607 1127040717 /nfs/dbraw/zinc/04/07/17/1127040717.db2.gz MDYACQOSTPGXFV-UHFFFAOYSA-N 1 2 340.370 3.834 20 30 EHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000083168623 1127220921 /nfs/dbraw/zinc/22/09/21/1127220921.db2.gz DIWBYQPFRMVPLM-HUUCEWRRSA-N 1 2 343.477 3.624 20 30 EHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000083168623 1127220923 /nfs/dbraw/zinc/22/09/23/1127220923.db2.gz DIWBYQPFRMVPLM-HUUCEWRRSA-N 1 2 343.477 3.624 20 30 EHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000764960922 1127559581 /nfs/dbraw/zinc/55/95/81/1127559581.db2.gz CFNHKTNEQGYTMC-HNNXBMFYSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000764960922 1127559584 /nfs/dbraw/zinc/55/95/84/1127559584.db2.gz CFNHKTNEQGYTMC-HNNXBMFYSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000764963442 1127560065 /nfs/dbraw/zinc/56/00/65/1127560065.db2.gz NTIWXRSVKCQKDA-CQSZACIVSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000764963442 1127560067 /nfs/dbraw/zinc/56/00/67/1127560067.db2.gz NTIWXRSVKCQKDA-CQSZACIVSA-N 1 2 328.485 3.875 20 30 EHEDLO N#Cc1ccc2ccccc2c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212358358 1127958095 /nfs/dbraw/zinc/95/80/95/1127958095.db2.gz HJEWHEMDJGGTGP-UHFFFAOYSA-N 1 2 330.391 3.687 20 30 EHEDLO N#Cc1cc(Cl)cc(Cl)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212360144 1127980156 /nfs/dbraw/zinc/98/01/56/1127980156.db2.gz LRZALVPOJGDFFT-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO N#Cc1nc(N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1Cl ZINC000301733158 1128604270 /nfs/dbraw/zinc/60/42/70/1128604270.db2.gz YUCCNLRJWJSUNK-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO CC[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302131215 1128621664 /nfs/dbraw/zinc/62/16/64/1128621664.db2.gz BYXIZFKBLFUQAH-RDJZCZTQSA-N 1 2 346.356 3.618 20 30 EHEDLO CC[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302131215 1128621667 /nfs/dbraw/zinc/62/16/67/1128621667.db2.gz BYXIZFKBLFUQAH-RDJZCZTQSA-N 1 2 346.356 3.618 20 30 EHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c[nH+]cn1C ZINC000554518047 1128644658 /nfs/dbraw/zinc/64/46/58/1128644658.db2.gz DRHWYIDXJMZFHG-UHFFFAOYSA-N 1 2 346.390 3.574 20 30 EHEDLO C[N@@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000302837335 1128650440 /nfs/dbraw/zinc/65/04/40/1128650440.db2.gz XLGUVTKYZQQNCQ-FUHWJXTLSA-N 1 2 349.331 3.972 20 30 EHEDLO C[N@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000302837335 1128650443 /nfs/dbraw/zinc/65/04/43/1128650443.db2.gz XLGUVTKYZQQNCQ-FUHWJXTLSA-N 1 2 349.331 3.972 20 30 EHEDLO C=C(C)C[C@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000184868412 1120390903 /nfs/dbraw/zinc/39/09/03/1120390903.db2.gz AMPBERSJMZOPAG-HNNXBMFYSA-N 1 2 327.428 3.639 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761756051 1120882402 /nfs/dbraw/zinc/88/24/02/1120882402.db2.gz BXXBQADQIPCOPR-UXPWSPDFSA-N 1 2 328.456 3.527 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761756051 1120882405 /nfs/dbraw/zinc/88/24/05/1120882405.db2.gz BXXBQADQIPCOPR-UXPWSPDFSA-N 1 2 328.456 3.527 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cccnc3Cl)CC2)c1 ZINC000171610879 1120893722 /nfs/dbraw/zinc/89/37/22/1120893722.db2.gz DUVBHIFPPSFKET-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000914569497 1120902706 /nfs/dbraw/zinc/90/27/06/1120902706.db2.gz WMUISIMKUCXBBX-AWEZNQCLSA-N 1 2 345.516 3.986 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000914569497 1120902707 /nfs/dbraw/zinc/90/27/07/1120902707.db2.gz WMUISIMKUCXBBX-AWEZNQCLSA-N 1 2 345.516 3.986 20 30 EHEDLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(C#N)c1 ZINC000272227923 1121103025 /nfs/dbraw/zinc/10/30/25/1121103025.db2.gz HDEKOBDGUJVGAL-XHSDSOJGSA-N 1 2 336.439 3.740 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000497167882 1122359888 /nfs/dbraw/zinc/35/98/88/1122359888.db2.gz ZBBIOTYEHSEOIQ-UHFFFAOYSA-N 1 2 345.446 3.995 20 30 EHEDLO C=CCOc1ccccc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000497167882 1122359898 /nfs/dbraw/zinc/35/98/98/1122359898.db2.gz ZBBIOTYEHSEOIQ-UHFFFAOYSA-N 1 2 345.446 3.995 20 30 EHEDLO C=C(Cl)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000763435054 1123009800 /nfs/dbraw/zinc/00/98/00/1123009800.db2.gz XCSIPOVQJYBAJA-UHFFFAOYSA-N 1 2 326.625 3.681 20 30 EHEDLO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000920419343 1123366727 /nfs/dbraw/zinc/36/67/27/1123366727.db2.gz ZCOLNTDDKQGAEO-HIFRSBDPSA-N 1 2 327.453 3.593 20 30 EHEDLO CC(C)[C@@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000920419343 1123366731 /nfs/dbraw/zinc/36/67/31/1123366731.db2.gz ZCOLNTDDKQGAEO-HIFRSBDPSA-N 1 2 327.453 3.593 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000078622119 1123642965 /nfs/dbraw/zinc/64/29/65/1123642965.db2.gz BKKXCHQWGITUOF-OAHLLOKOSA-N 1 2 332.469 3.685 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000078622119 1123642971 /nfs/dbraw/zinc/64/29/71/1123642971.db2.gz BKKXCHQWGITUOF-OAHLLOKOSA-N 1 2 332.469 3.685 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000078622116 1123642989 /nfs/dbraw/zinc/64/29/89/1123642989.db2.gz BKKXCHQWGITUOF-HNNXBMFYSA-N 1 2 332.469 3.685 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000078622116 1123642991 /nfs/dbraw/zinc/64/29/91/1123642991.db2.gz BKKXCHQWGITUOF-HNNXBMFYSA-N 1 2 332.469 3.685 20 30 EHEDLO CCCc1nc(C)c(C[NH2+]Cc2cc(C#N)ccc2Br)o1 ZINC000922144429 1129151632 /nfs/dbraw/zinc/15/16/32/1129151632.db2.gz VNFFWHKRZXBBDP-UHFFFAOYSA-N 1 2 348.244 3.860 20 30 EHEDLO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000735311208 1131334465 /nfs/dbraw/zinc/33/44/65/1131334465.db2.gz BSVBXXCGUDHBLN-HOCLYGCPSA-N 1 2 341.480 3.983 20 30 EHEDLO C[C@H](C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000785463667 1129266528 /nfs/dbraw/zinc/26/65/28/1129266528.db2.gz TUWGHDKARVHMST-NJAFHUGGSA-N 1 2 343.471 3.671 20 30 EHEDLO C[C@H](C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000785463667 1129266529 /nfs/dbraw/zinc/26/65/29/1129266529.db2.gz TUWGHDKARVHMST-NJAFHUGGSA-N 1 2 343.471 3.671 20 30 EHEDLO Cc1cccc(C2=CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000092821828 1129563056 /nfs/dbraw/zinc/56/30/56/1129563056.db2.gz YUAXDSBUXKKXPX-QGZVFWFLSA-N 1 2 345.446 3.983 20 30 EHEDLO Cc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000092821828 1129563060 /nfs/dbraw/zinc/56/30/60/1129563060.db2.gz YUAXDSBUXKKXPX-QGZVFWFLSA-N 1 2 345.446 3.983 20 30 EHEDLO CC(=O)c1ccc(C#N)c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000347868485 1129948487 /nfs/dbraw/zinc/94/84/87/1129948487.db2.gz QKEDBFXJWVIUIL-UHFFFAOYSA-N 1 2 336.439 3.654 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnn(-c2ccccc2)c1 ZINC000730147681 1130679507 /nfs/dbraw/zinc/67/95/07/1130679507.db2.gz IFWKZMUOVPYGED-UHFFFAOYSA-N 1 2 327.391 3.679 20 30 EHEDLO Oc1ccc(/C=[NH+]/CCCO[C@H]2CCCc3ccccc32)c(O)c1O ZINC000733750242 1131075422 /nfs/dbraw/zinc/07/54/22/1131075422.db2.gz QTJDLKBTOLMXAK-LANLRWRYSA-N 1 2 341.407 3.707 20 30 EHEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2cc(F)c(F)cc2F)CCO1 ZINC000734301704 1131217330 /nfs/dbraw/zinc/21/73/30/1131217330.db2.gz LMGJMQHRMCIUMN-LBPRGKRZSA-N 1 2 349.356 3.775 20 30 EHEDLO Cn1ncc2c1nc[nH+]c2NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000739889647 1131512887 /nfs/dbraw/zinc/51/28/87/1131512887.db2.gz CLQWZGLHOOWCHY-UHFFFAOYSA-N 1 2 346.419 3.576 20 30 EHEDLO C[C@@H](CCCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001172501495 1131760992 /nfs/dbraw/zinc/76/09/92/1131760992.db2.gz DIROAFXFVCFERY-QWHCGFSZSA-N 1 2 349.397 3.552 20 30 EHEDLO C[C@@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001172501495 1131760998 /nfs/dbraw/zinc/76/09/98/1131760998.db2.gz DIROAFXFVCFERY-QWHCGFSZSA-N 1 2 349.397 3.552 20 30 EHEDLO C[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000745170681 1132212838 /nfs/dbraw/zinc/21/28/38/1132212838.db2.gz JKWUHEDOBLTPKR-KBPBESRZSA-N 1 2 327.453 3.595 20 30 EHEDLO C[C@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000745170681 1132212841 /nfs/dbraw/zinc/21/28/41/1132212841.db2.gz JKWUHEDOBLTPKR-KBPBESRZSA-N 1 2 327.453 3.595 20 30 EHEDLO CN(C)c1ccc(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)c[nH+]1 ZINC001175341827 1132626504 /nfs/dbraw/zinc/62/65/04/1132626504.db2.gz PBMAPXFPMUMBOO-UHFFFAOYSA-N 1 2 338.802 3.602 20 30 EHEDLO C[C@H](C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N)n1cc[nH+]c1 ZINC001177921904 1133114057 /nfs/dbraw/zinc/11/40/57/1133114057.db2.gz LMMXKRGMIVWLGX-LLVKDONJSA-N 1 2 340.383 3.822 20 30 EHEDLO N#CCCc1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001178226659 1133148844 /nfs/dbraw/zinc/14/88/44/1133148844.db2.gz SUYFBTVUSUJHNR-UHFFFAOYSA-N 1 2 330.391 3.510 20 30 EHEDLO CC[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000768883048 1133196519 /nfs/dbraw/zinc/19/65/19/1133196519.db2.gz XIHFWXZSSKYPOT-HNNXBMFYSA-N 1 2 330.432 3.567 20 30 EHEDLO CC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000768883048 1133196524 /nfs/dbraw/zinc/19/65/24/1133196524.db2.gz XIHFWXZSSKYPOT-HNNXBMFYSA-N 1 2 330.432 3.567 20 30 EHEDLO Fc1cc(NN=Cc2cccc3[nH+]ccn32)ccc1Br ZINC000769828527 1133353615 /nfs/dbraw/zinc/35/36/15/1133353615.db2.gz HDJXSVIIOCEWQL-UHFFFAOYSA-N 1 2 333.164 3.682 20 30 EHEDLO C=CCOc1ccc(C[NH+]2CCN(c3ncccc3Cl)CC2)cc1 ZINC001204303509 1133511063 /nfs/dbraw/zinc/51/10/63/1133511063.db2.gz KXWBUZXFMZTGJQ-UHFFFAOYSA-N 1 2 343.858 3.622 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(-n4cccn4)cc3)n2c1 ZINC000771861417 1133602571 /nfs/dbraw/zinc/60/25/71/1133602571.db2.gz STCPKDXHJIEUKV-CMDGGOBGSA-N 1 2 328.375 3.725 20 30 EHEDLO C=C(C)C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)C(=O)OCC ZINC001183551981 1133823123 /nfs/dbraw/zinc/82/31/23/1133823123.db2.gz XBTMVSALJJFSIB-OAHLLOKOSA-N 1 2 345.361 3.615 20 30 EHEDLO Cc1cc(Br)cn2c(/C=C/C(=O)c3cncs3)c[nH+]c12 ZINC000787171843 1133966474 /nfs/dbraw/zinc/96/64/74/1133966474.db2.gz FDMJDQTZZMCHRD-NSCUHMNNSA-N 1 2 348.225 3.758 20 30 EHEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccc(Br)nc2)cn1 ZINC000790163821 1134377312 /nfs/dbraw/zinc/37/73/12/1134377312.db2.gz CJPODFUYPNVZLP-UHFFFAOYSA-N 1 2 348.248 3.530 20 30 EHEDLO CCC#C[C@H](C)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC001188006584 1134411171 /nfs/dbraw/zinc/41/11/71/1134411171.db2.gz PMERHIUZIBCEOZ-KBPBESRZSA-N 1 2 346.475 3.923 20 30 EHEDLO C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190107298 1134656780 /nfs/dbraw/zinc/65/67/80/1134656780.db2.gz PMMKJTHZMQEUOV-MRXNPFEDSA-N 1 2 347.418 3.928 20 30 EHEDLO C(#Cc1ccccc1)CN1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000792266007 1134675374 /nfs/dbraw/zinc/67/53/74/1134675374.db2.gz LANDXBZDWXFKQL-UHFFFAOYSA-N 1 2 341.458 3.536 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccnc(Br)c1 ZINC000792643248 1134757753 /nfs/dbraw/zinc/75/77/53/1134757753.db2.gz QTNPQAJGXGDGDM-UHFFFAOYSA-N 1 2 345.244 3.648 20 30 EHEDLO N#Cc1cnccc1C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC001194791340 1135316134 /nfs/dbraw/zinc/31/61/34/1135316134.db2.gz IVVUKTYBRUBYSJ-LEWJYISDSA-N 1 2 329.403 3.518 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(Br)cc1F ZINC001194816591 1135326424 /nfs/dbraw/zinc/32/64/24/1135326424.db2.gz AJVFXANASDJFOM-SNVBAGLBSA-N 1 2 334.192 3.706 20 30 EHEDLO CCCCC[C@@H](CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000775642990 1135382217 /nfs/dbraw/zinc/38/22/17/1135382217.db2.gz QWOZJAZPQDDSFD-HXUWFJFHSA-N 1 2 341.499 3.809 20 30 EHEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC001195289457 1135407420 /nfs/dbraw/zinc/40/74/20/1135407420.db2.gz NJJJCEATCWGUNO-DZGCQCFKSA-N 1 2 332.419 3.640 20 30 EHEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1C#N ZINC001195289457 1135407423 /nfs/dbraw/zinc/40/74/23/1135407423.db2.gz NJJJCEATCWGUNO-DZGCQCFKSA-N 1 2 332.419 3.640 20 30 EHEDLO Cc1cc(C(=O)/C=C\c2c[nH+]c3c(C)cc(Br)cn23)no1 ZINC000806556331 1135458318 /nfs/dbraw/zinc/45/83/18/1135458318.db2.gz RIMDPUSNFKUXFC-ARJAWSKDSA-N 1 2 346.184 3.598 20 30 EHEDLO C#C[C@H]([NH2+][C@H](C)c1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 ZINC000775791080 1135743457 /nfs/dbraw/zinc/74/34/57/1135743457.db2.gz KYJPNVJXIWKKQQ-KCXAZCMYSA-N 1 2 330.815 3.826 20 30 EHEDLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1[C@H]1CCCO1 ZINC000810030475 1135916962 /nfs/dbraw/zinc/91/69/62/1135916962.db2.gz WVWWVEAGZMYGNQ-SJORKVTESA-N 1 2 334.847 3.632 20 30 EHEDLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1[C@H]1CCCO1 ZINC000810030475 1135916965 /nfs/dbraw/zinc/91/69/65/1135916965.db2.gz WVWWVEAGZMYGNQ-SJORKVTESA-N 1 2 334.847 3.632 20 30 EHEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NCCc1ccncc1 ZINC000811648320 1136116862 /nfs/dbraw/zinc/11/68/62/1136116862.db2.gz PGCSARNHMUTWBT-UHFFFAOYSA-N 1 2 337.254 3.621 20 30 EHEDLO Fc1cc(C(F)(F)F)ccc1N1CC[NH+](CCC(F)(F)F)CC1 ZINC001202352589 1136132610 /nfs/dbraw/zinc/13/26/10/1136132610.db2.gz MHRLKKSKTASEEW-UHFFFAOYSA-N 1 2 344.274 3.919 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1=S ZINC000812291076 1136192336 /nfs/dbraw/zinc/19/23/36/1136192336.db2.gz JXUMZTZCFCEFBY-OAHLLOKOSA-N 1 2 331.485 3.815 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@H+](C(C)C)[C@@H]2CCOC2)c1=S ZINC000812291076 1136192337 /nfs/dbraw/zinc/19/23/37/1136192337.db2.gz JXUMZTZCFCEFBY-OAHLLOKOSA-N 1 2 331.485 3.815 20 30 EHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccccc1 ZINC000852319137 1136447964 /nfs/dbraw/zinc/44/79/64/1136447964.db2.gz HIDXNFOGZKQNJU-HXUWFJFHSA-N 1 2 349.478 3.962 20 30 EHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccccc1 ZINC000852319137 1136447966 /nfs/dbraw/zinc/44/79/66/1136447966.db2.gz HIDXNFOGZKQNJU-HXUWFJFHSA-N 1 2 349.478 3.962 20 30 EHEDLO CC[N@@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815056826 1136541435 /nfs/dbraw/zinc/54/14/35/1136541435.db2.gz BBUHPBMWEIQRAA-CQSZACIVSA-N 1 2 345.668 3.546 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)nc2CC)c1 ZINC000815020304 1136538029 /nfs/dbraw/zinc/53/80/29/1136538029.db2.gz ARWYKMIDWMLOII-UHFFFAOYSA-N 1 2 349.478 3.819 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(C)C)nc2CC)c1 ZINC000815020304 1136538031 /nfs/dbraw/zinc/53/80/31/1136538031.db2.gz ARWYKMIDWMLOII-UHFFFAOYSA-N 1 2 349.478 3.819 20 30 EHEDLO CC[N@H+](CCC#N)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815056826 1136541432 /nfs/dbraw/zinc/54/14/32/1136541432.db2.gz BBUHPBMWEIQRAA-CQSZACIVSA-N 1 2 345.668 3.546 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(OC)c(OC)c1 ZINC000820598791 1136999399 /nfs/dbraw/zinc/99/93/99/1136999399.db2.gz JLZIEUUNRXUCQL-UHFFFAOYSA-N 1 2 326.396 3.503 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000820682935 1137001036 /nfs/dbraw/zinc/00/10/36/1137001036.db2.gz VHYDZTHKKFJGSJ-MRXNPFEDSA-N 1 2 348.805 3.812 20 30 EHEDLO C=CCOc1ccc(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001136458290 1137030924 /nfs/dbraw/zinc/03/09/24/1137030924.db2.gz AFEHUYWSYFRZLP-UHFFFAOYSA-N 1 2 333.391 3.823 20 30 EHEDLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1N[C@@H]1CCc2c1cccc2C#N ZINC001171065342 1137151482 /nfs/dbraw/zinc/15/14/82/1137151482.db2.gz WWFRNQBXURKABA-GOSISDBHSA-N 1 2 349.434 3.937 20 30 EHEDLO CCOC(=O)C1(CC)CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143732232 1137194966 /nfs/dbraw/zinc/19/49/66/1137194966.db2.gz OKYLAEPDYIYMLC-UHFFFAOYSA-N 1 2 334.847 3.767 20 30 EHEDLO CN(c1ccc(Nc2c(C#N)cnc3ccnn32)c[nH+]1)C1CCCCC1 ZINC001212613208 1137233092 /nfs/dbraw/zinc/23/30/92/1137233092.db2.gz IWKGJIUYLOUHHG-UHFFFAOYSA-N 1 2 347.426 3.508 20 30 EHEDLO CCN(C)c1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794698769 1137236365 /nfs/dbraw/zinc/23/63/65/1137236365.db2.gz BQLANNUALKDSQT-KHPPLWFESA-N 1 2 329.469 3.557 20 30 EHEDLO COc1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)ccc1SC ZINC000794705862 1137238004 /nfs/dbraw/zinc/23/80/04/1137238004.db2.gz BJXJVMZTBXPKKL-SOFGYWHQSA-N 1 2 348.493 3.831 20 30 EHEDLO Cc1ccnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1Br ZINC000865479613 1137287463 /nfs/dbraw/zinc/28/74/63/1137287463.db2.gz NJYWMHFMDLBJJS-LBPRGKRZSA-N 1 2 330.229 3.875 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001171191978 1137298495 /nfs/dbraw/zinc/29/84/95/1137298495.db2.gz JJAWSQGFZHZBBJ-QGZVFWFLSA-N 1 2 348.446 3.745 20 30 EHEDLO C[C@@H]1CCN(c2c(Br)cccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000865613562 1137298738 /nfs/dbraw/zinc/29/87/38/1137298738.db2.gz YBWJFHISVKSMEC-DOMZBBRYSA-N 1 2 345.244 3.605 20 30 EHEDLO COc1ccc(COCCC[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866256759 1137340018 /nfs/dbraw/zinc/34/00/18/1137340018.db2.gz PIOIMEZGBTTZIQ-OAHLLOKOSA-N 1 2 340.423 3.530 20 30 EHEDLO C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866336777 1137347170 /nfs/dbraw/zinc/34/71/70/1137347170.db2.gz MGHZJHCARQWYPX-SJKOYZFVSA-N 1 2 326.371 3.967 20 30 EHEDLO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1cccc(C#N)c1O ZINC000866409006 1137352495 /nfs/dbraw/zinc/35/24/95/1137352495.db2.gz HIXHLFCAOAZMEJ-DIFFPNOSSA-N 1 2 348.805 3.831 20 30 EHEDLO C[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000846756886 1137363499 /nfs/dbraw/zinc/36/34/99/1137363499.db2.gz OERSPXMUKHUTPF-IUPJQEPFSA-N 1 2 345.270 3.616 20 30 EHEDLO C[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000846756886 1137363501 /nfs/dbraw/zinc/36/35/01/1137363501.db2.gz OERSPXMUKHUTPF-IUPJQEPFSA-N 1 2 345.270 3.616 20 30 EHEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001171266179 1137386455 /nfs/dbraw/zinc/38/64/55/1137386455.db2.gz DQTCJZRVNCNDOM-UHFFFAOYSA-N 1 2 340.398 3.879 20 30 EHEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001171266179 1137386456 /nfs/dbraw/zinc/38/64/56/1137386456.db2.gz DQTCJZRVNCNDOM-UHFFFAOYSA-N 1 2 340.398 3.879 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869102731 1137436871 /nfs/dbraw/zinc/43/68/71/1137436871.db2.gz FJPJQKCALSFPCX-GOSISDBHSA-N 1 2 341.480 3.632 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869102731 1137436873 /nfs/dbraw/zinc/43/68/73/1137436873.db2.gz FJPJQKCALSFPCX-GOSISDBHSA-N 1 2 341.480 3.632 20 30 EHEDLO N#Cc1ccc(OCCNc2cc3c4c(c2)CCC[NH+]4CCC3)cc1 ZINC001171484185 1137491049 /nfs/dbraw/zinc/49/10/49/1137491049.db2.gz LBSDLJNKANSQAX-UHFFFAOYSA-N 1 2 333.435 3.748 20 30 EHEDLO CSc1nnc(SC)n1[NH+]=CCc1ccc(F)cc1Cl ZINC000872417882 1137579795 /nfs/dbraw/zinc/57/97/95/1137579795.db2.gz SHAPFCJQIBFRPX-UHFFFAOYSA-N 1 2 330.841 3.591 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)c1 ZINC000876618834 1137657239 /nfs/dbraw/zinc/65/72/39/1137657239.db2.gz GYIBWBIAFWLYAX-UHFFFAOYSA-N 1 2 344.361 3.585 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876810333 1137662104 /nfs/dbraw/zinc/66/21/04/1137662104.db2.gz ROZXZAHVGOBWLJ-CYBMUJFWSA-N 1 2 349.862 3.550 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876810333 1137662105 /nfs/dbraw/zinc/66/21/05/1137662105.db2.gz ROZXZAHVGOBWLJ-CYBMUJFWSA-N 1 2 349.862 3.550 20 30 EHEDLO Cc1csc(C2([NH2+]Cc3cc(C#N)cnc3Cl)CCCC2)n1 ZINC000877041562 1137668502 /nfs/dbraw/zinc/66/85/02/1137668502.db2.gz MWLICXRMCZXKEB-UHFFFAOYSA-N 1 2 332.860 3.931 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c1 ZINC000877581478 1137681873 /nfs/dbraw/zinc/68/18/73/1137681873.db2.gz GERKHNZABGODMY-UHFFFAOYSA-N 1 2 333.769 3.559 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC ZINC000877671101 1137685170 /nfs/dbraw/zinc/68/51/70/1137685170.db2.gz FOSMDVIFEXPXIV-UTUOFQBUSA-N 1 2 327.774 3.771 20 30 EHEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000887270361 1138252406 /nfs/dbraw/zinc/25/24/06/1138252406.db2.gz MPNJPETUGDBZCQ-JPOGYNCRSA-N 1 2 347.455 3.576 20 30 EHEDLO COc1ccc(-c2noc([C@H](C)[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000153410315 1139135452 /nfs/dbraw/zinc/13/54/52/1139135452.db2.gz HUPDELUUDVBGRX-AWEZNQCLSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1ccc(-c2noc([C@H](C)[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000153410315 1139135453 /nfs/dbraw/zinc/13/54/53/1139135453.db2.gz HUPDELUUDVBGRX-AWEZNQCLSA-N 1 2 348.406 3.810 20 30 EHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000175409117 1139489198 /nfs/dbraw/zinc/48/91/98/1139489198.db2.gz FTIYASXCZQUGPK-NPMABZOXSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000175409117 1139489202 /nfs/dbraw/zinc/48/92/02/1139489202.db2.gz FTIYASXCZQUGPK-NPMABZOXSA-N 1 2 330.428 3.628 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cnc(Cl)s3)CC2)c1 ZINC000175429178 1139489942 /nfs/dbraw/zinc/48/99/42/1139489942.db2.gz FOEVXUPWJRBEMO-UHFFFAOYSA-N 1 2 333.844 3.712 20 30 EHEDLO C=CCN(Cc1c[nH+]cn1C)Cc1cc(Br)ccc1F ZINC000177031335 1139593405 /nfs/dbraw/zinc/59/34/05/1139593405.db2.gz UYOARKLJNFPSMZ-UHFFFAOYSA-N 1 2 338.224 3.510 20 30 EHEDLO N#CC1(F)CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000348715444 1141569901 /nfs/dbraw/zinc/56/99/01/1141569901.db2.gz PUIZWCBOFCKKMZ-UHFFFAOYSA-N 1 2 334.288 3.594 20 30 EHEDLO COCCOc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000255005250 1015489397 /nfs/dbraw/zinc/48/93/97/1015489397.db2.gz ZNCSQQJHVSXLTE-YFHOEESVSA-N 1 2 336.391 3.564 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510207358 1016438522 /nfs/dbraw/zinc/43/85/22/1016438522.db2.gz DUWWIBXIFMWPJX-LJQANCHMSA-N 1 2 347.890 3.606 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510207358 1016438533 /nfs/dbraw/zinc/43/85/33/1016438533.db2.gz DUWWIBXIFMWPJX-LJQANCHMSA-N 1 2 347.890 3.606 20 30 EHEDLO COc1ccc([C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)c2nccn2C)cc1 ZINC000181452274 1016688902 /nfs/dbraw/zinc/68/89/02/1016688902.db2.gz YAHHHSAXAAHVAZ-YWZLYKJASA-N 1 2 346.434 3.741 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602096180 1032639913 /nfs/dbraw/zinc/63/99/13/1032639913.db2.gz GRGORPXBHDKJDK-YNEHKIRRSA-N 1 2 326.425 3.546 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602096180 1032639920 /nfs/dbraw/zinc/63/99/20/1032639920.db2.gz GRGORPXBHDKJDK-YNEHKIRRSA-N 1 2 326.425 3.546 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000340424610 1017734843 /nfs/dbraw/zinc/73/48/43/1017734843.db2.gz JIUNPTXTQUASSV-WDEREUQCSA-N 1 2 331.217 3.523 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ncc(Br)cn1 ZINC000340425678 1017742891 /nfs/dbraw/zinc/74/28/91/1017742891.db2.gz NGDIDYDZYIZNPC-VHSXEESVSA-N 1 2 349.207 3.662 20 30 EHEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC000134997279 1018005809 /nfs/dbraw/zinc/00/58/09/1018005809.db2.gz GUDSSXBXZNLQEW-IBGZPJMESA-N 1 2 342.826 3.794 20 30 EHEDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC000134997279 1018005820 /nfs/dbraw/zinc/00/58/20/1018005820.db2.gz GUDSSXBXZNLQEW-IBGZPJMESA-N 1 2 342.826 3.794 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000892973750 1018014211 /nfs/dbraw/zinc/01/42/11/1018014211.db2.gz WTLNJPAHEJPJMQ-CQSZACIVSA-N 1 2 330.457 3.632 20 30 EHEDLO N#Cc1ccccc1/C=C\C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000255158184 1018465724 /nfs/dbraw/zinc/46/57/24/1018465724.db2.gz OUKUOJFQFRYCMO-YVMONPNESA-N 1 2 332.338 3.535 20 30 EHEDLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(C#N)c(F)c1 ZINC000614417755 1019024464 /nfs/dbraw/zinc/02/44/64/1019024464.db2.gz CHYRIABHBWDYQW-GFCCVEGCSA-N 1 2 331.391 3.851 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2sc(N3CCCCC3)nc2Cl)C1 ZINC001140292109 1019881519 /nfs/dbraw/zinc/88/15/19/1019881519.db2.gz KHQHPRABRZYPEP-ZDUSSCGKSA-N 1 2 338.908 3.912 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](Cc2sc(N3CCCCC3)nc2Cl)C1 ZINC001140292109 1019881531 /nfs/dbraw/zinc/88/15/31/1019881531.db2.gz KHQHPRABRZYPEP-ZDUSSCGKSA-N 1 2 338.908 3.912 20 30 EHEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000602450180 1032878737 /nfs/dbraw/zinc/87/87/37/1032878737.db2.gz IXCIXELUMFAYQR-BBRMVZONSA-N 1 2 337.261 3.762 20 30 EHEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000602450180 1032878750 /nfs/dbraw/zinc/87/87/50/1032878750.db2.gz IXCIXELUMFAYQR-BBRMVZONSA-N 1 2 337.261 3.762 20 30 EHEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897596184 1032887332 /nfs/dbraw/zinc/88/73/32/1032887332.db2.gz MWFZNXZFIHGTJS-HXUWFJFHSA-N 1 2 338.455 3.526 20 30 EHEDLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897596184 1032887354 /nfs/dbraw/zinc/88/73/54/1032887354.db2.gz MWFZNXZFIHGTJS-HXUWFJFHSA-N 1 2 338.455 3.526 20 30 EHEDLO CSc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000280457046 1020400108 /nfs/dbraw/zinc/40/01/08/1020400108.db2.gz OCWPVROEHMFYFZ-CQSZACIVSA-N 1 2 339.464 3.739 20 30 EHEDLO CSc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000280457046 1020400118 /nfs/dbraw/zinc/40/01/18/1020400118.db2.gz OCWPVROEHMFYFZ-CQSZACIVSA-N 1 2 339.464 3.739 20 30 EHEDLO Cc1c[nH+]cc(Nc2cc(C#N)ccc2I)c1C ZINC001213532784 1020569413 /nfs/dbraw/zinc/56/94/13/1020569413.db2.gz VCKHLFLEGCUQCE-UHFFFAOYSA-N 1 2 349.175 3.918 20 30 EHEDLO Cc1cc2c(s1)N(c1nnccc1C#N)c1ccccc1NC2=[NH2+] ZINC001167456437 1020758267 /nfs/dbraw/zinc/75/82/67/1020758267.db2.gz GZZIJCMKWYYUMV-UHFFFAOYSA-N 1 2 332.392 3.538 20 30 EHEDLO Cc1cc2c(s1)N(c1ncncc1C#N)c1ccccc1NC2=[NH2+] ZINC001167457078 1020777492 /nfs/dbraw/zinc/77/74/92/1020777492.db2.gz RKHVJCFXBSNIDL-UHFFFAOYSA-N 1 2 332.392 3.538 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000050962751 1020805145 /nfs/dbraw/zinc/80/51/45/1020805145.db2.gz VUVIGEUHZKQBMU-INIZCTEOSA-N 1 2 347.434 3.577 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000050962751 1020805153 /nfs/dbraw/zinc/80/51/53/1020805153.db2.gz VUVIGEUHZKQBMU-INIZCTEOSA-N 1 2 347.434 3.577 20 30 EHEDLO C=CCCn1cc(CNc2[nH+]c3ccccc3n2C2CCCC2)nn1 ZINC000656767724 1021301841 /nfs/dbraw/zinc/30/18/41/1021301841.db2.gz OXGHMGFHPILZRS-UHFFFAOYSA-N 1 2 336.443 3.931 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000550306766 1021560735 /nfs/dbraw/zinc/56/07/35/1021560735.db2.gz HEHSLLHLVCBCCK-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000550306766 1021560745 /nfs/dbraw/zinc/56/07/45/1021560745.db2.gz HEHSLLHLVCBCCK-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO Cc1nn2c(C[N@H+](C)Cc3cc(C#N)cs3)c(C(C)C)nc2s1 ZINC000897625118 1033014777 /nfs/dbraw/zinc/01/47/77/1033014777.db2.gz DQXGLSUYOSJTJZ-UHFFFAOYSA-N 1 2 345.497 3.788 20 30 EHEDLO Cc1nn2c(C[N@@H+](C)Cc3cc(C#N)cs3)c(C(C)C)nc2s1 ZINC000897625118 1033014788 /nfs/dbraw/zinc/01/47/88/1033014788.db2.gz DQXGLSUYOSJTJZ-UHFFFAOYSA-N 1 2 345.497 3.788 20 30 EHEDLO N#Cc1cc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cs1 ZINC000891724633 1022472440 /nfs/dbraw/zinc/47/24/40/1022472440.db2.gz GYZXUQVPZBWSLK-UHFFFAOYSA-N 1 2 346.402 3.993 20 30 EHEDLO CC1=CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000328771547 1022486908 /nfs/dbraw/zinc/48/69/08/1022486908.db2.gz APGRHOMYXYAPHP-UHFFFAOYSA-N 1 2 328.412 3.968 20 30 EHEDLO CC1=CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000328771547 1022486916 /nfs/dbraw/zinc/48/69/16/1022486916.db2.gz APGRHOMYXYAPHP-UHFFFAOYSA-N 1 2 328.412 3.968 20 30 EHEDLO N#C[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC12CCCC2 ZINC000294645361 1023076321 /nfs/dbraw/zinc/07/63/21/1023076321.db2.gz HAIWISIJSJJZCH-GOSISDBHSA-N 1 2 340.814 3.938 20 30 EHEDLO CSc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)s1 ZINC000438850375 1023088555 /nfs/dbraw/zinc/08/85/55/1023088555.db2.gz HMIPXUQSZUYJPD-QGZVFWFLSA-N 1 2 343.521 3.852 20 30 EHEDLO C=CCC[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000130996926 1023212553 /nfs/dbraw/zinc/21/25/53/1023212553.db2.gz OOBFCCKZGSROTP-LJQANCHMSA-N 1 2 338.455 3.937 20 30 EHEDLO N#Cc1cc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)ccc1F ZINC000610720088 1023352419 /nfs/dbraw/zinc/35/24/19/1023352419.db2.gz YTBQQRNEFZNSEH-QWRGUYRKSA-N 1 2 340.242 3.870 20 30 EHEDLO N#Cc1cc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)ccn1 ZINC000610995080 1024008045 /nfs/dbraw/zinc/00/80/45/1024008045.db2.gz AFCSPWNRXFPATQ-LJQANCHMSA-N 1 2 334.810 3.881 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000514082766 1024115965 /nfs/dbraw/zinc/11/59/65/1024115965.db2.gz IMQIKDDEJYUYHU-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000514082766 1024115977 /nfs/dbraw/zinc/11/59/77/1024115977.db2.gz IMQIKDDEJYUYHU-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=C(Cl)C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OCC ZINC000895417934 1024489858 /nfs/dbraw/zinc/48/98/58/1024489858.db2.gz JKTWPRKEMAMNOF-HUUCEWRRSA-N 1 2 329.868 3.532 20 30 EHEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000602862875 1033214733 /nfs/dbraw/zinc/21/47/33/1033214733.db2.gz MKJYOQWSGYIJLU-BDAKNGLRSA-N 1 2 333.741 3.578 20 30 EHEDLO Cc1ncccc1C[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC001141816888 1024601910 /nfs/dbraw/zinc/60/19/10/1024601910.db2.gz ODKJJTJFUIBHDR-UHFFFAOYSA-N 1 2 330.229 3.656 20 30 EHEDLO Cc1ncccc1C[N@H+](C)Cc1ccc(Br)cc1C#N ZINC001141816888 1024601917 /nfs/dbraw/zinc/60/19/17/1024601917.db2.gz ODKJJTJFUIBHDR-UHFFFAOYSA-N 1 2 330.229 3.656 20 30 EHEDLO CCCC1CCC(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000330324390 1024781978 /nfs/dbraw/zinc/78/19/78/1024781978.db2.gz IKKJIFNVGRYHCP-IOTAOYMUSA-N 1 2 348.491 3.503 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(SC)CC1 ZINC000602922120 1033267845 /nfs/dbraw/zinc/26/78/45/1033267845.db2.gz RCYDHFDHYCZZJX-UHFFFAOYSA-N 1 2 336.526 3.731 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3nnc(-c4ccccc4)s3)CC2)c1 ZINC000551412402 1025303260 /nfs/dbraw/zinc/30/32/60/1025303260.db2.gz WSSDZZXYMQHZMT-UHFFFAOYSA-N 1 2 332.432 3.856 20 30 EHEDLO CCOc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046529181 1033274964 /nfs/dbraw/zinc/27/49/64/1033274964.db2.gz MQRBWGKRTJRJIE-UHFFFAOYSA-N 1 2 348.406 3.639 20 30 EHEDLO CCOc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046529181 1033274979 /nfs/dbraw/zinc/27/49/79/1033274979.db2.gz MQRBWGKRTJRJIE-UHFFFAOYSA-N 1 2 348.406 3.639 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCC(=O)CC1 ZINC000329175820 1025644645 /nfs/dbraw/zinc/64/46/45/1025644645.db2.gz MOEOHQINOTWMRY-UHFFFAOYSA-N 1 2 329.444 3.678 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCO[C@H](C)C3)n2)CC1 ZINC000329275997 1025713210 /nfs/dbraw/zinc/71/32/10/1025713210.db2.gz KYTGYBSMJHUJJA-ZIAGYGMSSA-N 1 2 337.489 3.778 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(Cl)c1 ZINC000451278502 1025747681 /nfs/dbraw/zinc/74/76/81/1025747681.db2.gz CSHAAWQQVFUOHP-IEBWSBKVSA-N 1 2 344.817 3.512 20 30 EHEDLO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(Cl)c1 ZINC000451278502 1025747698 /nfs/dbraw/zinc/74/76/98/1025747698.db2.gz CSHAAWQQVFUOHP-IEBWSBKVSA-N 1 2 344.817 3.512 20 30 EHEDLO C=CCN(Cc1ccccc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522479763 1025919051 /nfs/dbraw/zinc/91/90/51/1025919051.db2.gz NVCWOPYOJIYQTG-UHFFFAOYSA-N 1 2 346.434 3.770 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000530500178 1025952294 /nfs/dbraw/zinc/95/22/94/1025952294.db2.gz HRYWOMNZSGEKKE-MRXNPFEDSA-N 1 2 338.455 3.872 20 30 EHEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)nn1 ZINC000657429357 1026247015 /nfs/dbraw/zinc/24/70/15/1026247015.db2.gz RIENSKQJYVAZSB-MRXNPFEDSA-N 1 2 332.835 3.511 20 30 EHEDLO C=CC[C@H]1CC[N@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000934473167 1026294792 /nfs/dbraw/zinc/29/47/92/1026294792.db2.gz UPYYBJQYUAZIAI-VIFPVBQESA-N 1 2 340.246 3.711 20 30 EHEDLO C=CC[C@H]1CC[N@@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000934473167 1026294806 /nfs/dbraw/zinc/29/48/06/1026294806.db2.gz UPYYBJQYUAZIAI-VIFPVBQESA-N 1 2 340.246 3.711 20 30 EHEDLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000582644594 1026859671 /nfs/dbraw/zinc/85/96/71/1026859671.db2.gz DPZRBAJCYDSMJC-RHSMWYFYSA-N 1 2 326.469 3.879 20 30 EHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000582644594 1026859678 /nfs/dbraw/zinc/85/96/78/1026859678.db2.gz DPZRBAJCYDSMJC-RHSMWYFYSA-N 1 2 326.469 3.879 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000501208016 1027135894 /nfs/dbraw/zinc/13/58/94/1027135894.db2.gz WRCAJNHSCBONCE-UXHICEINSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000501208016 1027135898 /nfs/dbraw/zinc/13/58/98/1027135898.db2.gz WRCAJNHSCBONCE-UXHICEINSA-N 1 2 331.419 3.839 20 30 EHEDLO CCCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186660125 1027804918 /nfs/dbraw/zinc/80/49/18/1027804918.db2.gz JCZKFOBNXJMWEP-UHFFFAOYSA-N 1 2 347.890 3.730 20 30 EHEDLO N#Cc1c(NCc2ccccc2-n2cc[nH+]c2)nc2cc(Cl)ccn12 ZINC000342920219 1028131047 /nfs/dbraw/zinc/13/10/47/1028131047.db2.gz XUTQMLFDCGVZLY-UHFFFAOYSA-N 1 2 348.797 3.657 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1Cl ZINC000362977505 1028169356 /nfs/dbraw/zinc/16/93/56/1028169356.db2.gz ROFGBGZXVXJDNG-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1Cl ZINC000362977505 1028169368 /nfs/dbraw/zinc/16/93/68/1028169368.db2.gz ROFGBGZXVXJDNG-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO C=CCCO[C@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000194417262 1028515765 /nfs/dbraw/zinc/51/57/65/1028515765.db2.gz AKVGROJVPGTQPY-OAHLLOKOSA-N 1 2 339.439 3.806 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000424636913 1029199230 /nfs/dbraw/zinc/19/92/30/1029199230.db2.gz BKYWNMJXXSPRIS-MRXNPFEDSA-N 1 2 330.472 3.503 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)c1C#N ZINC000535964905 1029279166 /nfs/dbraw/zinc/27/91/66/1029279166.db2.gz ULZXQBIQWVFUMQ-LBPRGKRZSA-N 1 2 343.452 3.611 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)c1C#N ZINC000535964905 1029279174 /nfs/dbraw/zinc/27/91/74/1029279174.db2.gz ULZXQBIQWVFUMQ-LBPRGKRZSA-N 1 2 343.452 3.611 20 30 EHEDLO Cc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1[N+](=O)[O-] ZINC000162231208 1029513444 /nfs/dbraw/zinc/51/34/44/1029513444.db2.gz YBCJULHJSGEABH-UHFFFAOYSA-N 1 2 326.356 3.593 20 30 EHEDLO N#CCCCOc1cccnc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000162272000 1029524075 /nfs/dbraw/zinc/52/40/75/1029524075.db2.gz IMVKEYOHDWSWGG-UHFFFAOYSA-N 1 2 333.395 3.562 20 30 EHEDLO C=CCn1c(=S)n(C[NH+]2CCCCCCC2)nc1-c1ccncc1 ZINC000192451817 1029669078 /nfs/dbraw/zinc/66/90/78/1029669078.db2.gz BMTGLHBJXNYSFF-UHFFFAOYSA-N 1 2 343.500 3.886 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(Cl)c1 ZINC000527128466 1030655978 /nfs/dbraw/zinc/65/59/78/1030655978.db2.gz JMJGKVRRFAIOPD-CYBMUJFWSA-N 1 2 332.753 3.755 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(Cl)c1 ZINC000527128466 1030655981 /nfs/dbraw/zinc/65/59/81/1030655981.db2.gz JMJGKVRRFAIOPD-CYBMUJFWSA-N 1 2 332.753 3.755 20 30 EHEDLO Clc1ccc(C#CC[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000583776419 1030703958 /nfs/dbraw/zinc/70/39/58/1030703958.db2.gz DJCLAWQUTFPENX-UHFFFAOYSA-N 1 2 325.795 3.565 20 30 EHEDLO Clc1ccc(C#CC[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000583776419 1030703978 /nfs/dbraw/zinc/70/39/78/1030703978.db2.gz DJCLAWQUTFPENX-UHFFFAOYSA-N 1 2 325.795 3.565 20 30 EHEDLO N#Cc1cc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)ccc1F ZINC000483234222 1031046342 /nfs/dbraw/zinc/04/63/42/1031046342.db2.gz JQUYWRLOADRLIG-OAHLLOKOSA-N 1 2 339.197 3.827 20 30 EHEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000484078137 1031444720 /nfs/dbraw/zinc/44/47/20/1031444720.db2.gz MVCGQDONPDDJAI-GOSISDBHSA-N 1 2 326.440 3.768 20 30 EHEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000484078137 1031444729 /nfs/dbraw/zinc/44/47/29/1031444729.db2.gz MVCGQDONPDDJAI-GOSISDBHSA-N 1 2 326.440 3.768 20 30 EHEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000329691466 1031827636 /nfs/dbraw/zinc/82/76/36/1031827636.db2.gz DKNRRXGOEUDYAB-BSDSXHPESA-N 1 2 344.503 3.965 20 30 EHEDLO N#Cc1csc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000599017103 1033665807 /nfs/dbraw/zinc/66/58/07/1033665807.db2.gz YGASWLJJIUQZJP-ZDUSSCGKSA-N 1 2 342.251 3.535 20 30 EHEDLO C[N@H+](CC1(C#N)CCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000450287866 1034028910 /nfs/dbraw/zinc/02/89/10/1034028910.db2.gz RRJIQCUUAZGQHN-CABCVRRESA-N 1 2 325.239 3.577 20 30 EHEDLO C[N@@H+](CC1(C#N)CCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000450287866 1034028926 /nfs/dbraw/zinc/02/89/26/1034028926.db2.gz RRJIQCUUAZGQHN-CABCVRRESA-N 1 2 325.239 3.577 20 30 EHEDLO N#Cc1ccccc1-c1ccccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000604198492 1034274224 /nfs/dbraw/zinc/27/42/24/1034274224.db2.gz LETHCUMRBDAWLC-UHFFFAOYSA-N 1 2 344.418 3.632 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450529521 1034485635 /nfs/dbraw/zinc/48/56/35/1034485635.db2.gz VBFFZTNPMYJTMJ-GOEBONIOSA-N 1 2 340.389 3.568 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450529521 1034485643 /nfs/dbraw/zinc/48/56/43/1034485643.db2.gz VBFFZTNPMYJTMJ-GOEBONIOSA-N 1 2 340.389 3.568 20 30 EHEDLO Cn1ncc(C(F)(F)F)c1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000597027025 1034503199 /nfs/dbraw/zinc/50/31/99/1034503199.db2.gz UVEITMATYDTRNI-UHFFFAOYSA-N 1 2 346.356 3.600 20 30 EHEDLO Cn1ncc(C(F)(F)F)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000597027025 1034503212 /nfs/dbraw/zinc/50/32/12/1034503212.db2.gz UVEITMATYDTRNI-UHFFFAOYSA-N 1 2 346.356 3.600 20 30 EHEDLO N#Cc1ccc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000450534521 1034507404 /nfs/dbraw/zinc/50/74/04/1034507404.db2.gz FTKPCVWGPZJVBJ-SHTZXODSSA-N 1 2 337.383 3.697 20 30 EHEDLO N#CCC1C[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000597194287 1034578760 /nfs/dbraw/zinc/57/87/60/1034578760.db2.gz QSSKFUKOHRVSKO-UHFFFAOYSA-N 1 2 348.269 3.918 20 30 EHEDLO C=CCN(CC1CCCCC1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000601687504 1034693695 /nfs/dbraw/zinc/69/36/95/1034693695.db2.gz ILYGRCPPWROXKU-UHFFFAOYSA-N 1 2 325.456 3.780 20 30 EHEDLO N#Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1C(F)(F)F ZINC000167282343 1034769936 /nfs/dbraw/zinc/76/99/36/1034769936.db2.gz XJFUMDJAXRXQJF-CQSZACIVSA-N 1 2 332.329 3.663 20 30 EHEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C)C2)cc1OCC ZINC000571823286 1035750511 /nfs/dbraw/zinc/75/05/11/1035750511.db2.gz BXDQHDJAXVNXNR-UHFFFAOYSA-N 1 2 340.261 3.864 20 30 EHEDLO C=CCCn1cc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)nn1 ZINC000653584433 1036756013 /nfs/dbraw/zinc/75/60/13/1036756013.db2.gz WAZQXYQCHZXFMF-UHFFFAOYSA-N 1 2 328.847 3.797 20 30 EHEDLO C=CCCn1cc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)nn1 ZINC000653584433 1036756030 /nfs/dbraw/zinc/75/60/30/1036756030.db2.gz WAZQXYQCHZXFMF-UHFFFAOYSA-N 1 2 328.847 3.797 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000590196144 1036794075 /nfs/dbraw/zinc/79/40/75/1036794075.db2.gz UZJSKGIKUGNXSE-JHJVBQTASA-N 1 2 331.485 3.556 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H](C)[C@H]1C ZINC000590196144 1036794091 /nfs/dbraw/zinc/79/40/91/1036794091.db2.gz UZJSKGIKUGNXSE-JHJVBQTASA-N 1 2 331.485 3.556 20 30 EHEDLO C[C@@H]1CCc2sc(NC(=O)CCCn3cc[nH+]c3)c(C#N)c2[C@@H]1C ZINC000591003869 1037184379 /nfs/dbraw/zinc/18/43/79/1037184379.db2.gz LCINHGSMRKKVEM-CHWSQXEVSA-N 1 2 342.468 3.921 20 30 EHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000591248381 1037288877 /nfs/dbraw/zinc/28/88/77/1037288877.db2.gz WABCECMDXFZOJV-AWEZNQCLSA-N 1 2 332.329 3.534 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(CCc2ccccc2)no1 ZINC000491366469 1037425240 /nfs/dbraw/zinc/42/52/40/1037425240.db2.gz IKBJMNBGQMCQKX-UHFFFAOYSA-N 1 2 337.423 3.679 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(CCc2ccccc2)no1 ZINC000491366469 1037425245 /nfs/dbraw/zinc/42/52/45/1037425245.db2.gz IKBJMNBGQMCQKX-UHFFFAOYSA-N 1 2 337.423 3.679 20 30 EHEDLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130135352 1037510520 /nfs/dbraw/zinc/51/05/20/1037510520.db2.gz RGWTXMZWCAMBBV-MRXNPFEDSA-N 1 2 342.468 3.653 20 30 EHEDLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130135352 1037510543 /nfs/dbraw/zinc/51/05/43/1037510543.db2.gz RGWTXMZWCAMBBV-MRXNPFEDSA-N 1 2 342.468 3.653 20 30 EHEDLO COc1ccc([C@H]([NH2+]C[C@H](C#N)CCC#N)c2ccc(F)cc2)cc1 ZINC000591728469 1037571741 /nfs/dbraw/zinc/57/17/41/1037571741.db2.gz IGUVACWEZUVLEF-MGPUTAFESA-N 1 2 337.398 3.957 20 30 EHEDLO COc1ccc(OC)c(C[N@H+](Cc2ccncc2C#N)C(C)(C)C)c1 ZINC000592075018 1037831487 /nfs/dbraw/zinc/83/14/87/1037831487.db2.gz QACOQADIGBCIMQ-UHFFFAOYSA-N 1 2 339.439 3.771 20 30 EHEDLO COc1ccc(OC)c(C[N@@H+](Cc2ccncc2C#N)C(C)(C)C)c1 ZINC000592075018 1037831508 /nfs/dbraw/zinc/83/15/08/1037831508.db2.gz QACOQADIGBCIMQ-UHFFFAOYSA-N 1 2 339.439 3.771 20 30 EHEDLO Cc1cc(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)ccc1C#N ZINC000488320890 1039099674 /nfs/dbraw/zinc/09/96/74/1039099674.db2.gz ONZKBLMXRGFPQE-INIZCTEOSA-N 1 2 325.481 3.807 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c(Cl)c1 ZINC000489010457 1039539594 /nfs/dbraw/zinc/53/95/94/1039539594.db2.gz JYUMHHSMDRGBIL-HNNXBMFYSA-N 1 2 345.805 3.789 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(Cl)c1 ZINC000489010457 1039539611 /nfs/dbraw/zinc/53/96/11/1039539611.db2.gz JYUMHHSMDRGBIL-HNNXBMFYSA-N 1 2 345.805 3.789 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(Cl)c1 ZINC000489010458 1039539843 /nfs/dbraw/zinc/53/98/43/1039539843.db2.gz JYUMHHSMDRGBIL-OAHLLOKOSA-N 1 2 345.805 3.789 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(Cl)c1 ZINC000489010458 1039539850 /nfs/dbraw/zinc/53/98/50/1039539850.db2.gz JYUMHHSMDRGBIL-OAHLLOKOSA-N 1 2 345.805 3.789 20 30 EHEDLO C=CCCCN(CC)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893320326 1040232470 /nfs/dbraw/zinc/23/24/70/1040232470.db2.gz YALBQRVPMKGMIN-GOSISDBHSA-N 1 2 340.471 3.702 20 30 EHEDLO N#Cc1ccc(CSCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000046105963 1042222109 /nfs/dbraw/zinc/22/21/09/1042222109.db2.gz XOLJIKOMEFTEMS-UHFFFAOYSA-N 1 2 348.431 3.616 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094168468 1042869875 /nfs/dbraw/zinc/86/98/75/1042869875.db2.gz MGMKJKPNVHAFIU-SFHVURJKSA-N 1 2 342.393 3.505 20 30 EHEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000541952222 1042930964 /nfs/dbraw/zinc/93/09/64/1042930964.db2.gz LMFYTNHSALYAQX-HUUCEWRRSA-N 1 2 349.434 3.513 20 30 EHEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000541952222 1042930970 /nfs/dbraw/zinc/93/09/70/1042930970.db2.gz LMFYTNHSALYAQX-HUUCEWRRSA-N 1 2 349.434 3.513 20 30 EHEDLO COc1ccc(C[N@H+](Cc2ccco2)Cc2cccnc2)cc1C#N ZINC000182060476 1043258095 /nfs/dbraw/zinc/25/80/95/1043258095.db2.gz RGCHSZJODIZBOA-UHFFFAOYSA-N 1 2 333.391 3.757 20 30 EHEDLO COc1ccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1C#N ZINC000182060476 1043258102 /nfs/dbraw/zinc/25/81/02/1043258102.db2.gz RGCHSZJODIZBOA-UHFFFAOYSA-N 1 2 333.391 3.757 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000184988439 1126729240 /nfs/dbraw/zinc/72/92/40/1126729240.db2.gz LAPUKPROAGXRKO-HOCLYGCPSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000184988439 1126729243 /nfs/dbraw/zinc/72/92/43/1126729243.db2.gz LAPUKPROAGXRKO-HOCLYGCPSA-N 1 2 343.500 3.740 20 30 EHEDLO N#Cc1c2ccccc2sc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212354364 1127926631 /nfs/dbraw/zinc/92/66/31/1127926631.db2.gz QYYCUXGGUCYESM-UHFFFAOYSA-N 1 2 336.420 3.748 20 30 EHEDLO Cn1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(Cl)cc2)n1 ZINC000542672266 1128448214 /nfs/dbraw/zinc/44/82/14/1128448214.db2.gz XNDIGJDFQRCMRI-IBGZPJMESA-N 1 2 336.826 3.824 20 30 EHEDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000056222464 1128548092 /nfs/dbraw/zinc/54/80/92/1128548092.db2.gz SOSDLPSVNURAGV-INIZCTEOSA-N 1 2 344.418 3.967 20 30 EHEDLO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301659150 1128601514 /nfs/dbraw/zinc/60/15/14/1128601514.db2.gz WQRFZXNKOGRPLQ-OAHLLOKOSA-N 1 2 333.313 3.630 20 30 EHEDLO N#Cc1cc2c(nc1NCc1cccc(Cn3cc[nH+]c3)c1)CCCC2 ZINC000301883221 1128610474 /nfs/dbraw/zinc/61/04/74/1128610474.db2.gz KYCPKPMROAVROF-UHFFFAOYSA-N 1 2 343.434 3.689 20 30 EHEDLO CCc1noc(CC)c1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921829101 1128794746 /nfs/dbraw/zinc/79/47/46/1128794746.db2.gz BCDCDENUQIBWEB-UHFFFAOYSA-N 1 2 348.244 3.723 20 30 EHEDLO C#CCOc1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000761782096 1120915344 /nfs/dbraw/zinc/91/53/44/1120915344.db2.gz MRAAYKKRQXSCCP-UHFFFAOYSA-N 1 2 342.358 3.601 20 30 EHEDLO C(=[NH+]NCc1cccc2cccnc21)c1ccc(N2CCCCC2)o1 ZINC000915959709 1121993824 /nfs/dbraw/zinc/99/38/24/1121993824.db2.gz QDPYVMYHMPAVSQ-UHFFFAOYSA-N 1 2 334.423 3.942 20 30 EHEDLO C(=[NH+]Nc1cccc2ncccc21)c1ccc(N2CCOCC2)s1 ZINC000915964666 1122010059 /nfs/dbraw/zinc/01/00/59/1122010059.db2.gz IFJYGSZNCLSNSE-UHFFFAOYSA-N 1 2 338.436 3.579 20 30 EHEDLO Cc1nnc(SCc2c[nH+]c(N(C)C)c3ccccc23)c(C#N)c1C ZINC000916570026 1122199133 /nfs/dbraw/zinc/19/91/33/1122199133.db2.gz NIKDBOFHGPLWDB-UHFFFAOYSA-N 1 2 349.463 3.872 20 30 EHEDLO N#CCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000125461808 1122317334 /nfs/dbraw/zinc/31/73/34/1122317334.db2.gz HJFYARBXJMHKAZ-IBGZPJMESA-N 1 2 325.843 3.571 20 30 EHEDLO Cc1cccc(C)c1NC(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917025818 1122442805 /nfs/dbraw/zinc/44/28/05/1122442805.db2.gz QFUXVOIRMITZPN-UHFFFAOYSA-N 1 2 349.463 3.810 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000499048909 1123166034 /nfs/dbraw/zinc/16/60/34/1123166034.db2.gz VCFYMBOBHWGLES-HNNXBMFYSA-N 1 2 326.465 3.714 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000499048909 1123166035 /nfs/dbraw/zinc/16/60/35/1123166035.db2.gz VCFYMBOBHWGLES-HNNXBMFYSA-N 1 2 326.465 3.714 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@H+](CC)C[C@H]2CCCO2)c1=S ZINC000919947214 1123242469 /nfs/dbraw/zinc/24/24/69/1123242469.db2.gz LFZVBCRPWJOZRG-OAHLLOKOSA-N 1 2 331.485 3.817 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@@H+](CC)C[C@H]2CCCO2)c1=S ZINC000919947214 1123242472 /nfs/dbraw/zinc/24/24/72/1123242472.db2.gz LFZVBCRPWJOZRG-OAHLLOKOSA-N 1 2 331.485 3.817 20 30 EHEDLO N#CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000543206257 1129344719 /nfs/dbraw/zinc/34/47/19/1129344719.db2.gz JXEDEPWBUJEWTK-LJQANCHMSA-N 1 2 326.827 3.980 20 30 EHEDLO N#CCc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000543206257 1129344722 /nfs/dbraw/zinc/34/47/22/1129344722.db2.gz JXEDEPWBUJEWTK-LJQANCHMSA-N 1 2 326.827 3.980 20 30 EHEDLO N#CCCCOc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922526602 1129562467 /nfs/dbraw/zinc/56/24/67/1129562467.db2.gz SBPNGASFSXMEOE-ICSRJNTNSA-N 1 2 340.398 3.931 20 30 EHEDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093078498 1129575500 /nfs/dbraw/zinc/57/55/00/1129575500.db2.gz SJGLYVMUMZVCOQ-ZDUSSCGKSA-N 1 2 347.434 3.777 20 30 EHEDLO CCC1(CC)C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330919738 1129648479 /nfs/dbraw/zinc/64/84/79/1129648479.db2.gz OHSDQRBZCRAWRU-CYBMUJFWSA-N 1 2 349.500 3.703 20 30 EHEDLO CCC1(CC)C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330919738 1129648482 /nfs/dbraw/zinc/64/84/82/1129648482.db2.gz OHSDQRBZCRAWRU-CYBMUJFWSA-N 1 2 349.500 3.703 20 30 EHEDLO N#CCCn1cc(C=NNc2cc[nH+]c3ccccc23)c2ccccc21 ZINC000730146649 1130678612 /nfs/dbraw/zinc/67/86/12/1130678612.db2.gz CSFBZIAFRJLUKB-UHFFFAOYSA-N 1 2 339.402 3.971 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](CCC#N)Cc2ccccc2)C1 ZINC000730433371 1130712065 /nfs/dbraw/zinc/71/20/65/1130712065.db2.gz XVLMPCBUKNWKIY-GOSISDBHSA-N 1 2 343.471 3.802 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC000730433371 1130712069 /nfs/dbraw/zinc/71/20/69/1130712069.db2.gz XVLMPCBUKNWKIY-GOSISDBHSA-N 1 2 343.471 3.802 20 30 EHEDLO O=C1c2sc(-c3ccc(F)cc3)nc2CC/C1=C/c1[nH]cc[nH+]1 ZINC000731158825 1130773387 /nfs/dbraw/zinc/77/33/87/1130773387.db2.gz JVTDKTZFNHBYHA-LUAWRHEFSA-N 1 2 325.368 3.885 20 30 EHEDLO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000731210168 1130777026 /nfs/dbraw/zinc/77/70/26/1130777026.db2.gz ASQWLWMEARDXDB-UHFFFAOYSA-N 1 2 345.786 3.783 20 30 EHEDLO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000731210168 1130777031 /nfs/dbraw/zinc/77/70/31/1130777031.db2.gz ASQWLWMEARDXDB-UHFFFAOYSA-N 1 2 345.786 3.783 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccccc2)CC1 ZINC000739901996 1131516078 /nfs/dbraw/zinc/51/60/78/1131516078.db2.gz DXHIGEYKBKRHHD-FQEVSTJZSA-N 1 2 334.419 3.652 20 30 EHEDLO N#CCC1CCC([N@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173340650 1132054132 /nfs/dbraw/zinc/05/41/32/1132054132.db2.gz JIUMAEWMNNQKEN-OFLPRAFFSA-N 1 2 325.447 3.654 20 30 EHEDLO N#CCC1CCC([N@@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173340650 1132054140 /nfs/dbraw/zinc/05/41/40/1132054140.db2.gz JIUMAEWMNNQKEN-OFLPRAFFSA-N 1 2 325.447 3.654 20 30 EHEDLO N#CCC1CCC(N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001173340650 1132054146 /nfs/dbraw/zinc/05/41/46/1132054146.db2.gz JIUMAEWMNNQKEN-OFLPRAFFSA-N 1 2 325.447 3.654 20 30 EHEDLO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000745991288 1132345240 /nfs/dbraw/zinc/34/52/40/1132345240.db2.gz VIKJNGPNAQSDRY-BFHYXJOUSA-N 1 2 327.453 3.593 20 30 EHEDLO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000745991288 1132345247 /nfs/dbraw/zinc/34/52/47/1132345247.db2.gz VIKJNGPNAQSDRY-BFHYXJOUSA-N 1 2 327.453 3.593 20 30 EHEDLO Cc1cc(CNc2cc(C3(C#N)CC3)cc[nH+]2)ncc1Br ZINC001169199032 1132688698 /nfs/dbraw/zinc/68/86/98/1132688698.db2.gz BXWUKSSJFJNGPU-UHFFFAOYSA-N 1 2 343.228 3.715 20 30 EHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000769546006 1133312752 /nfs/dbraw/zinc/31/27/52/1133312752.db2.gz UAUZMHJGGXGYFD-OAHLLOKOSA-N 1 2 342.443 3.709 20 30 EHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000769546006 1133312756 /nfs/dbraw/zinc/31/27/56/1133312756.db2.gz UAUZMHJGGXGYFD-OAHLLOKOSA-N 1 2 342.443 3.709 20 30 EHEDLO O=C1c2ccc(Br)cc2C/C1=C/c1cccc2[nH+]ccn21 ZINC000769616511 1133322887 /nfs/dbraw/zinc/32/28/87/1133322887.db2.gz ZPBBZHZHWICQEH-BENRWUELSA-N 1 2 339.192 3.919 20 30 EHEDLO Brc1cc(NN=Cc2cc(-n3cc[nH+]c3)cs2)ccn1 ZINC000769802027 1133348712 /nfs/dbraw/zinc/34/87/12/1133348712.db2.gz GORRORMZYSYPQF-UHFFFAOYSA-N 1 2 348.229 3.537 20 30 EHEDLO CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000769830466 1133353428 /nfs/dbraw/zinc/35/34/28/1133353428.db2.gz NIYLSIIKZCYIPI-UHFFFAOYSA-N 1 2 339.330 3.756 20 30 EHEDLO CCCc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 ZINC001180671717 1133399867 /nfs/dbraw/zinc/39/98/67/1133399867.db2.gz BUOAMEJEQDBWLZ-CJNGLKHVSA-N 1 2 349.500 3.549 20 30 EHEDLO CC(C)[C@H]1C[N@H+](CC#Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001180917422 1133428984 /nfs/dbraw/zinc/42/89/84/1133428984.db2.gz UHQMPJMJJIGTNG-LJQANCHMSA-N 1 2 342.483 3.615 20 30 EHEDLO CC(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC001180917422 1133428987 /nfs/dbraw/zinc/42/89/87/1133428987.db2.gz UHQMPJMJJIGTNG-LJQANCHMSA-N 1 2 342.483 3.615 20 30 EHEDLO COc1cc(C)cc2c1OC/C(=C\c1c[nH+]c3ccc(C)cn13)C2=O ZINC000771858242 1133608535 /nfs/dbraw/zinc/60/85/35/1133608535.db2.gz IORYVUOZTZGZLJ-RIYZIHGNSA-N 1 2 334.375 3.618 20 30 EHEDLO C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183019407 1133760919 /nfs/dbraw/zinc/76/09/19/1133760919.db2.gz ZAVDAYPKZIEHKE-MGPUTAFESA-N 1 2 334.423 3.524 20 30 EHEDLO C#CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000788171873 1134091768 /nfs/dbraw/zinc/09/17/68/1134091768.db2.gz KSNRRRUHCVYIQA-UHFFFAOYSA-N 1 2 339.414 3.601 20 30 EHEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC001170093762 1134195894 /nfs/dbraw/zinc/19/58/94/1134195894.db2.gz FMMWJSYVYNWIBA-KRWDZBQOSA-N 1 2 336.435 3.548 20 30 EHEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC001170093762 1134195897 /nfs/dbraw/zinc/19/58/97/1134195897.db2.gz FMMWJSYVYNWIBA-KRWDZBQOSA-N 1 2 336.435 3.548 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccccc1CC#N ZINC000791309180 1134534589 /nfs/dbraw/zinc/53/45/89/1134534589.db2.gz OGKDVSGUKYRERE-UHFFFAOYSA-N 1 2 331.375 3.604 20 30 EHEDLO N#Cc1c(Cl)c(F)cc(C(=O)Nc2ccn3cc[nH+]c3c2)c1Cl ZINC001189835772 1134632260 /nfs/dbraw/zinc/63/22/60/1134632260.db2.gz FCDOGQXIBROYNH-UHFFFAOYSA-N 1 2 349.152 3.904 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(F)c(C#N)c1 ZINC000792307351 1134678058 /nfs/dbraw/zinc/67/80/58/1134678058.db2.gz RGJGDBVDTDRCAX-UHFFFAOYSA-N 1 2 335.338 3.549 20 30 EHEDLO C#CC[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccccc1 ZINC000775401727 1134728127 /nfs/dbraw/zinc/72/81/27/1134728127.db2.gz YOIDXWSVAZSKJN-MRXNPFEDSA-N 1 2 343.386 3.936 20 30 EHEDLO CCCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001191069441 1134786600 /nfs/dbraw/zinc/78/66/00/1134786600.db2.gz LANWCAARLNQXMU-MRXNPFEDSA-N 1 2 345.478 3.862 20 30 EHEDLO CN(CC[N@H+](C)Cc1ccc(Cl)cc1C#N)C(=O)OC(C)(C)C ZINC000775651393 1135415189 /nfs/dbraw/zinc/41/51/89/1135415189.db2.gz WLFQHZLPDBMPJT-UHFFFAOYSA-N 1 2 337.851 3.510 20 30 EHEDLO CN(CC[N@@H+](C)Cc1ccc(Cl)cc1C#N)C(=O)OC(C)(C)C ZINC000775651393 1135415193 /nfs/dbraw/zinc/41/51/93/1135415193.db2.gz WLFQHZLPDBMPJT-UHFFFAOYSA-N 1 2 337.851 3.510 20 30 EHEDLO Cc1nn(C)c2sc(C(=O)/C=C\c3c[nH+]c4ccc(C)cn34)cc12 ZINC000806579098 1135455475 /nfs/dbraw/zinc/45/54/75/1135455475.db2.gz VMPVJFLAKPSHAQ-WAYWQWQTSA-N 1 2 336.420 3.795 20 30 EHEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC001195861676 1135478998 /nfs/dbraw/zinc/47/89/98/1135478998.db2.gz KMYAMFLIBYHDGV-CABCVRRESA-N 1 2 326.362 3.966 20 30 EHEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC001195861676 1135479002 /nfs/dbraw/zinc/47/90/02/1135479002.db2.gz KMYAMFLIBYHDGV-CABCVRRESA-N 1 2 326.362 3.966 20 30 EHEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001198490238 1135822940 /nfs/dbraw/zinc/82/29/40/1135822940.db2.gz IOLAFSZOEHLYRO-OCCSQVGLSA-N 1 2 326.396 3.613 20 30 EHEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001198490238 1135822945 /nfs/dbraw/zinc/82/29/45/1135822945.db2.gz IOLAFSZOEHLYRO-OCCSQVGLSA-N 1 2 326.396 3.613 20 30 EHEDLO Fc1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)ccc1Cl ZINC000747636668 1136007593 /nfs/dbraw/zinc/00/75/93/1136007593.db2.gz NSGAUUMPXAXTIN-UHFFFAOYSA-N 1 2 339.823 3.823 20 30 EHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(C#N)cc1F ZINC001201566673 1136041987 /nfs/dbraw/zinc/04/19/87/1136041987.db2.gz MGDUGCXYGLFXOY-UHFFFAOYSA-N 1 2 337.358 3.593 20 30 EHEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1c[nH+]c2c(C)cccn12 ZINC000747694195 1136070152 /nfs/dbraw/zinc/07/01/52/1136070152.db2.gz UUJMBLGUXAEPQR-VQHVLOKHSA-N 1 2 349.390 3.506 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCc3ccc(F)cc3Cl)CCO2)c1 ZINC000811468542 1136094431 /nfs/dbraw/zinc/09/44/31/1136094431.db2.gz WMXZWCLQQAHFEI-LJQANCHMSA-N 1 2 344.817 3.967 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CCO2)c1 ZINC000811468542 1136094433 /nfs/dbraw/zinc/09/44/33/1136094433.db2.gz WMXZWCLQQAHFEI-LJQANCHMSA-N 1 2 344.817 3.967 20 30 EHEDLO C#C[C@H]([NH2+][C@H](C)c1csc(-c2ccccc2F)n1)[C@@H]1CCCO1 ZINC000812731303 1136238205 /nfs/dbraw/zinc/23/82/05/1136238205.db2.gz JDMXPUNHCBSJNI-PVUWLOKVSA-N 1 2 330.428 3.781 20 30 EHEDLO CCc1cccc(OCC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852326059 1136448930 /nfs/dbraw/zinc/44/89/30/1136448930.db2.gz KNYGBRDLYVXVOH-OAQYLSRUSA-N 1 2 335.451 3.580 20 30 EHEDLO CCc1cccc(OCC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852326059 1136448931 /nfs/dbraw/zinc/44/89/31/1136448931.db2.gz KNYGBRDLYVXVOH-OAQYLSRUSA-N 1 2 335.451 3.580 20 30 EHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccnc(Cl)c3)CC2)cc1 ZINC000853393961 1136529962 /nfs/dbraw/zinc/52/99/62/1136529962.db2.gz FBZQZKJVIYJJBA-UHFFFAOYSA-N 1 2 343.862 3.869 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@@H](CC#N)C2)c1=S ZINC000853525877 1136540773 /nfs/dbraw/zinc/54/07/73/1136540773.db2.gz JFHMOTYKWXPLNX-HNNXBMFYSA-N 1 2 326.469 3.941 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@@H](CC#N)C2)c1=S ZINC000853525877 1136540776 /nfs/dbraw/zinc/54/07/76/1136540776.db2.gz JFHMOTYKWXPLNX-HNNXBMFYSA-N 1 2 326.469 3.941 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000776898844 1136818680 /nfs/dbraw/zinc/81/86/80/1136818680.db2.gz AHMVFUKUWSJRAZ-ZDUSSCGKSA-N 1 2 336.420 3.981 20 30 EHEDLO CC(C)n1c[nH+]cc1CN=Nc1ncc(C(F)(F)F)cc1Cl ZINC000819801745 1136963155 /nfs/dbraw/zinc/96/31/55/1136963155.db2.gz QOBPXKFWOGJJLW-UHFFFAOYSA-N 1 2 331.729 3.977 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cnn(Cc2ccccc2)c1 ZINC000820629456 1136998773 /nfs/dbraw/zinc/99/87/73/1136998773.db2.gz KMNDGIFFHFMISY-UHFFFAOYSA-N 1 2 346.434 3.731 20 30 EHEDLO C=C(Br)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000859895251 1137036345 /nfs/dbraw/zinc/03/63/45/1137036345.db2.gz ZPNBNFJHBKKGBL-UHFFFAOYSA-N 1 2 340.265 3.500 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3cccs3)C3CC3)o2)cc1 ZINC000173474324 1137154091 /nfs/dbraw/zinc/15/40/91/1137154091.db2.gz JMYOKFXETWXTNZ-UHFFFAOYSA-N 1 2 336.420 3.834 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3cccs3)C3CC3)o2)cc1 ZINC000173474324 1137154092 /nfs/dbraw/zinc/15/40/92/1137154092.db2.gz JMYOKFXETWXTNZ-UHFFFAOYSA-N 1 2 336.420 3.834 20 30 EHEDLO OC1CCN(c2ccc(C=[NH+]Nc3cccc(F)c3Cl)cc2)CC1 ZINC000863158436 1137171951 /nfs/dbraw/zinc/17/19/51/1137171951.db2.gz BEUYBODBXDIHIG-UHFFFAOYSA-N 1 2 347.821 3.886 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000119529507 1137193027 /nfs/dbraw/zinc/19/30/27/1137193027.db2.gz MQXKQPJBULKKDW-MRXNPFEDSA-N 1 2 342.512 3.880 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000119529507 1137193028 /nfs/dbraw/zinc/19/30/28/1137193028.db2.gz MQXKQPJBULKKDW-MRXNPFEDSA-N 1 2 342.512 3.880 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2\Cc3ccc(F)c(Cl)c3C2=O)s1 ZINC000844554079 1137234345 /nfs/dbraw/zinc/23/43/45/1137234345.db2.gz YDNCJFUHZAETAV-UXBLZVDNSA-N 1 2 336.819 3.820 20 30 EHEDLO C=CC[C@@H]([NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1)C(=O)OC ZINC001171142865 1137243811 /nfs/dbraw/zinc/24/38/11/1137243811.db2.gz CRGXFBDNGPDVKV-SWLSCSKDSA-N 1 2 328.239 3.558 20 30 EHEDLO Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)c1 ZINC001144160688 1137246703 /nfs/dbraw/zinc/24/67/03/1137246703.db2.gz RGYYBTXYZSNLTP-KRWDZBQOSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)c1 ZINC001144160688 1137246705 /nfs/dbraw/zinc/24/67/05/1137246705.db2.gz RGYYBTXYZSNLTP-KRWDZBQOSA-N 1 2 341.842 3.959 20 30 EHEDLO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000865730185 1137307420 /nfs/dbraw/zinc/30/74/20/1137307420.db2.gz OSNHNKUPWAPQTA-UHFFFAOYSA-N 1 2 340.398 3.942 20 30 EHEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)c1 ZINC001144559132 1137309763 /nfs/dbraw/zinc/30/97/63/1137309763.db2.gz JIMFXJLSOBYUEQ-INIZCTEOSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3c(F)cc(O)cc3F)C2)c1 ZINC001144559132 1137309765 /nfs/dbraw/zinc/30/97/65/1137309765.db2.gz JIMFXJLSOBYUEQ-INIZCTEOSA-N 1 2 344.361 3.585 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001171198864 1137309968 /nfs/dbraw/zinc/30/99/68/1137309968.db2.gz RSMOWWQZCSKWAN-WMLDXEAASA-N 1 2 330.472 3.835 20 30 EHEDLO CCCCCCCCCS(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000845895560 1137318961 /nfs/dbraw/zinc/31/89/61/1137318961.db2.gz HNCHDLMNMXADBT-MRXNPFEDSA-N 1 2 341.521 3.670 20 30 EHEDLO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1cccc(C#N)c1O ZINC000866309764 1137344319 /nfs/dbraw/zinc/34/43/19/1137344319.db2.gz BMKCXCRZBSNGML-GFCCVEGCSA-N 1 2 329.469 3.911 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866336441 1137347010 /nfs/dbraw/zinc/34/70/10/1137347010.db2.gz FQOJCBKRHQWBKL-IXDGSTSKSA-N 1 2 340.398 3.974 20 30 EHEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000847028344 1137383393 /nfs/dbraw/zinc/38/33/93/1137383393.db2.gz FMNDVOPJMXYSGD-RYUDHWBXSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000847028344 1137383394 /nfs/dbraw/zinc/38/33/94/1137383394.db2.gz FMNDVOPJMXYSGD-RYUDHWBXSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000847028879 1137383510 /nfs/dbraw/zinc/38/35/10/1137383510.db2.gz IYYMJDVXAXQGHR-HZPDHXFCSA-N 1 2 345.512 3.543 20 30 EHEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000847028879 1137383511 /nfs/dbraw/zinc/38/35/11/1137383511.db2.gz IYYMJDVXAXQGHR-HZPDHXFCSA-N 1 2 345.512 3.543 20 30 EHEDLO C=CCOc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001148464162 1137425260 /nfs/dbraw/zinc/42/52/60/1137425260.db2.gz YLYQAKDWCKOVAA-UHFFFAOYSA-N 1 2 333.391 3.749 20 30 EHEDLO C=C1CC=C(F)C=C1[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876637 1137515049 /nfs/dbraw/zinc/51/50/49/1137515049.db2.gz GQFWHQDALCAPNA-SFHVURJKSA-N 1 2 326.415 3.968 20 30 EHEDLO CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172301580 1137545219 /nfs/dbraw/zinc/54/52/19/1137545219.db2.gz RSUYBTVFEOIYPG-DAYGRLMNSA-N 1 2 330.472 3.835 20 30 EHEDLO Fc1ccc(C(F)(F)C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000872108358 1137571592 /nfs/dbraw/zinc/57/15/92/1137571592.db2.gz ZFAJJPAJGWVIRD-JOYOIKCWSA-N 1 2 345.258 3.756 20 30 EHEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000876643727 1137658012 /nfs/dbraw/zinc/65/80/12/1137658012.db2.gz LKBNMGSGNAQTRN-XJKSGUPXSA-N 1 2 337.261 3.762 20 30 EHEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000876643727 1137658013 /nfs/dbraw/zinc/65/80/13/1137658013.db2.gz LKBNMGSGNAQTRN-XJKSGUPXSA-N 1 2 337.261 3.762 20 30 EHEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877594109 1137682451 /nfs/dbraw/zinc/68/24/51/1137682451.db2.gz BUDLBMIWJABWQA-JSGCOSHPSA-N 1 2 349.862 3.549 20 30 EHEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877594109 1137682452 /nfs/dbraw/zinc/68/24/52/1137682452.db2.gz BUDLBMIWJABWQA-JSGCOSHPSA-N 1 2 349.862 3.549 20 30 EHEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000877671535 1137685127 /nfs/dbraw/zinc/68/51/27/1137685127.db2.gz KDTXPVTURUNZLJ-HTAVTVPLSA-N 1 2 327.774 3.771 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3ccc(Cl)cc3n2)n1 ZINC000878528378 1137719059 /nfs/dbraw/zinc/71/90/59/1137719059.db2.gz SASIMYNXUYMZFB-UHFFFAOYSA-N 1 2 338.842 3.740 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc3ccc(Cl)cc3n2)n1 ZINC000878528378 1137719060 /nfs/dbraw/zinc/71/90/60/1137719060.db2.gz SASIMYNXUYMZFB-UHFFFAOYSA-N 1 2 338.842 3.740 20 30 EHEDLO C=CCCC[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000879199022 1137740887 /nfs/dbraw/zinc/74/08/87/1137740887.db2.gz PVKRMUZIQJNPCA-LJQANCHMSA-N 1 2 325.456 3.872 20 30 EHEDLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586925 1137751745 /nfs/dbraw/zinc/75/17/45/1137751745.db2.gz ZGHHVMUMPBGGJF-OAHLLOKOSA-N 1 2 332.407 3.583 20 30 EHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000131033220 1137845316 /nfs/dbraw/zinc/84/53/16/1137845316.db2.gz MIVBUXHCCKNWJW-HXUWFJFHSA-N 1 2 343.434 3.920 20 30 EHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000131033220 1137845317 /nfs/dbraw/zinc/84/53/17/1137845317.db2.gz MIVBUXHCCKNWJW-HXUWFJFHSA-N 1 2 343.434 3.920 20 30 EHEDLO C=CCCC[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000883233502 1137849787 /nfs/dbraw/zinc/84/97/87/1137849787.db2.gz KDROERPNLLJCTB-IRXDYDNUSA-N 1 2 326.444 3.843 20 30 EHEDLO C=CCCC[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000883233500 1137849888 /nfs/dbraw/zinc/84/98/88/1137849888.db2.gz KDROERPNLLJCTB-DLBZAZTESA-N 1 2 326.444 3.843 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000105004882 1137879920 /nfs/dbraw/zinc/87/99/20/1137879920.db2.gz JWVVPONVDDTIEC-IAGOWNOFSA-N 1 2 345.487 3.726 20 30 EHEDLO C=CCC1(O)CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000884723754 1137971728 /nfs/dbraw/zinc/97/17/28/1137971728.db2.gz XNVSDWVBDJYDLT-UHFFFAOYSA-N 1 2 347.256 3.905 20 30 EHEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332666 1137972899 /nfs/dbraw/zinc/97/28/99/1137972899.db2.gz VHBSMMPPMLUANH-DNVCBOLYSA-N 1 2 340.858 3.678 20 30 EHEDLO C=CC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000348383560 1138075689 /nfs/dbraw/zinc/07/56/89/1138075689.db2.gz PWPCBJLZSYHQTQ-CQSZACIVSA-N 1 2 348.516 3.805 20 30 EHEDLO C=CC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000348383560 1138075691 /nfs/dbraw/zinc/07/56/91/1138075691.db2.gz PWPCBJLZSYHQTQ-CQSZACIVSA-N 1 2 348.516 3.805 20 30 EHEDLO CCOc1cccc(/C=[NH+]/CC[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000887270285 1138252277 /nfs/dbraw/zinc/25/22/77/1138252277.db2.gz KXOKUSOIESRCBB-AQRZYSDFSA-N 1 2 347.455 3.576 20 30 EHEDLO CCOc1cccc(/C=[NH+]/CC[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000887270286 1138252371 /nfs/dbraw/zinc/25/23/71/1138252371.db2.gz KXOKUSOIESRCBB-JPOGYNCRSA-N 1 2 347.455 3.576 20 30 EHEDLO CCOc1cc(C[N@H+](CC)CCC#N)ccc1OCC(F)(F)F ZINC000127644545 1138365237 /nfs/dbraw/zinc/36/52/37/1138365237.db2.gz VMFMZRSIUGIWAL-UHFFFAOYSA-N 1 2 330.350 3.762 20 30 EHEDLO CCOc1cc(C[N@@H+](CC)CCC#N)ccc1OCC(F)(F)F ZINC000127644545 1138365241 /nfs/dbraw/zinc/36/52/41/1138365241.db2.gz VMFMZRSIUGIWAL-UHFFFAOYSA-N 1 2 330.350 3.762 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)nc1NCCCCNc1cccc[nH+]1 ZINC000265197894 1138762901 /nfs/dbraw/zinc/76/29/01/1138762901.db2.gz MFEVDAKYVWRJIZ-UHFFFAOYSA-N 1 2 335.333 3.671 20 30 EHEDLO C=CCCC(C)(C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890243283 1139328871 /nfs/dbraw/zinc/32/88/71/1139328871.db2.gz HCXFWEJLWONSRR-KRWDZBQOSA-N 1 2 326.444 3.668 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185391503 1140148462 /nfs/dbraw/zinc/14/84/62/1140148462.db2.gz IRJUAZGEJKSRES-YESZJQIVSA-N 1 2 330.472 3.837 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000185391503 1140148466 /nfs/dbraw/zinc/14/84/66/1140148466.db2.gz IRJUAZGEJKSRES-YESZJQIVSA-N 1 2 330.472 3.837 20 30 EHEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000191311163 1140453484 /nfs/dbraw/zinc/45/34/84/1140453484.db2.gz BVDIWLVXTYDFJV-SFHVURJKSA-N 1 2 347.422 3.674 20 30 EHEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000191311163 1140453487 /nfs/dbraw/zinc/45/34/87/1140453487.db2.gz BVDIWLVXTYDFJV-SFHVURJKSA-N 1 2 347.422 3.674 20 30 EHEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCC1 ZINC000191453454 1140464182 /nfs/dbraw/zinc/46/41/82/1140464182.db2.gz DEVHSNWBRIFWIO-UHFFFAOYSA-N 1 2 327.472 3.825 20 30 EHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000271144721 1141313965 /nfs/dbraw/zinc/31/39/65/1141313965.db2.gz XMYQJBYAOCAXBA-INIZCTEOSA-N 1 2 331.423 3.526 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000271144721 1141313969 /nfs/dbraw/zinc/31/39/69/1141313969.db2.gz XMYQJBYAOCAXBA-INIZCTEOSA-N 1 2 331.423 3.526 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OCC)Cc1cccs1 ZINC000019540419 212041200 /nfs/dbraw/zinc/04/12/00/212041200.db2.gz BDLODAHZYYPWLJ-UHFFFAOYSA-N 1 2 330.453 3.774 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OCC)Cc1cccs1 ZINC000019540419 212041203 /nfs/dbraw/zinc/04/12/03/212041203.db2.gz BDLODAHZYYPWLJ-UHFFFAOYSA-N 1 2 330.453 3.774 20 30 EHEDLO COc1ccc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cc1C#N ZINC000275500582 564009031 /nfs/dbraw/zinc/00/90/31/564009031.db2.gz JOXYBTKSEMNMHW-GOSISDBHSA-N 1 2 336.439 3.506 20 30 EHEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3ccnc(Cl)c3c2)CC1 ZINC001165031529 721865880 /nfs/dbraw/zinc/86/58/80/721865880.db2.gz NCYXKMNMYQEALE-UHFFFAOYSA-N 1 2 337.801 3.741 20 30 EHEDLO CCn1nc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000274549573 1014215882 /nfs/dbraw/zinc/21/58/82/1014215882.db2.gz IGXWUVKFSHRIQF-UHFFFAOYSA-N 1 2 348.450 3.576 20 30 EHEDLO CCn1nc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000274549573 1014215891 /nfs/dbraw/zinc/21/58/91/1014215891.db2.gz IGXWUVKFSHRIQF-UHFFFAOYSA-N 1 2 348.450 3.576 20 30 EHEDLO C=CCC[C@@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339550054 1014819373 /nfs/dbraw/zinc/81/93/73/1014819373.db2.gz XTIHPQJQQZHNNV-QZTJIDSGSA-N 1 2 338.455 3.627 20 30 EHEDLO C[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000127074587 1015285055 /nfs/dbraw/zinc/28/50/55/1015285055.db2.gz KFCZOOOGFOQQAC-LRDDRELGSA-N 1 2 334.345 3.861 20 30 EHEDLO N#CC[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC001125301244 1015293194 /nfs/dbraw/zinc/29/31/94/1015293194.db2.gz MXBLLJAPLGEWOO-MRXNPFEDSA-N 1 2 334.354 3.647 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(CC)cc1)Cc1cccc(C#N)c1 ZINC000109374300 1015748442 /nfs/dbraw/zinc/74/84/42/1015748442.db2.gz DXSYETAKRQARQY-UHFFFAOYSA-N 1 2 333.435 3.747 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(CC)cc1)Cc1cccc(C#N)c1 ZINC000109374300 1015748444 /nfs/dbraw/zinc/74/84/44/1015748444.db2.gz DXSYETAKRQARQY-UHFFFAOYSA-N 1 2 333.435 3.747 20 30 EHEDLO C=CC[N@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(C)C ZINC001167227623 1016663127 /nfs/dbraw/zinc/66/31/27/1016663127.db2.gz VUFCVSNRKCRTER-UHFFFAOYSA-N 1 2 325.243 3.971 20 30 EHEDLO C=CC[N@@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(C)C ZINC001167227623 1016663135 /nfs/dbraw/zinc/66/31/35/1016663135.db2.gz VUFCVSNRKCRTER-UHFFFAOYSA-N 1 2 325.243 3.971 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC001167251480 1016769679 /nfs/dbraw/zinc/76/96/79/1016769679.db2.gz FJGBDIACHXXYRY-HNNXBMFYSA-N 1 2 344.418 3.694 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC001167251480 1016769687 /nfs/dbraw/zinc/76/96/87/1016769687.db2.gz FJGBDIACHXXYRY-HNNXBMFYSA-N 1 2 344.418 3.694 20 30 EHEDLO C#C[C@H](C)OC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000780385575 1017034179 /nfs/dbraw/zinc/03/41/79/1017034179.db2.gz ROXORQDAAFBNQA-WFASDCNBSA-N 1 2 327.346 3.653 20 30 EHEDLO CCc1ccc([C@H](C#N)N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC000890936737 1017382941 /nfs/dbraw/zinc/38/29/41/1017382941.db2.gz YAAYODUNVGSQGC-SFHVURJKSA-N 1 2 332.407 3.542 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4ccccc4)o3)CCC2)cc1 ZINC000594032380 1032813604 /nfs/dbraw/zinc/81/36/04/1032813604.db2.gz FXXZTOKBNXZYAQ-UHFFFAOYSA-N 1 2 330.391 3.777 20 30 EHEDLO C=CCOc1ccc(C(=O)N(C)CCCc2[nH+]ccn2CCC)cc1 ZINC000430498773 1019833271 /nfs/dbraw/zinc/83/32/71/1019833271.db2.gz XQVVAAJPWWPJTC-UHFFFAOYSA-N 1 2 341.455 3.563 20 30 EHEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000579789064 1019898835 /nfs/dbraw/zinc/89/88/35/1019898835.db2.gz SECQBZWVDUXHPN-IBGZPJMESA-N 1 2 331.423 3.660 20 30 EHEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000579789064 1019898845 /nfs/dbraw/zinc/89/88/45/1019898845.db2.gz SECQBZWVDUXHPN-IBGZPJMESA-N 1 2 331.423 3.660 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000580895095 1020197244 /nfs/dbraw/zinc/19/72/44/1020197244.db2.gz HPHVEYUBDCNFRO-UHFFFAOYSA-N 1 2 337.379 3.640 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000580895095 1020197251 /nfs/dbraw/zinc/19/72/51/1020197251.db2.gz HPHVEYUBDCNFRO-UHFFFAOYSA-N 1 2 337.379 3.640 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cnc(C)nc1C ZINC000602454705 1032885279 /nfs/dbraw/zinc/88/52/79/1032885279.db2.gz RTKLNHVUVBGLIZ-CQSZACIVSA-N 1 2 326.400 3.751 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cnc(C)nc1C ZINC000602454705 1032885294 /nfs/dbraw/zinc/88/52/94/1032885294.db2.gz RTKLNHVUVBGLIZ-CQSZACIVSA-N 1 2 326.400 3.751 20 30 EHEDLO N#Cc1cccc(C[N@@H+](Cc2csc(Br)c2)C2CC2)n1 ZINC000602479870 1032909613 /nfs/dbraw/zinc/90/96/13/1032909613.db2.gz RJHHRXPXNRWWCY-UHFFFAOYSA-N 1 2 348.269 3.942 20 30 EHEDLO N#Cc1cccc(C[N@H+](Cc2csc(Br)c2)C2CC2)n1 ZINC000602479870 1032909629 /nfs/dbraw/zinc/90/96/29/1032909629.db2.gz RJHHRXPXNRWWCY-UHFFFAOYSA-N 1 2 348.269 3.942 20 30 EHEDLO O=C1C=COC2(CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)C1 ZINC000897602221 1032931583 /nfs/dbraw/zinc/93/15/83/1032931583.db2.gz JOCRCCFIRKUIHZ-UHFFFAOYSA-N 1 2 343.320 3.682 20 30 EHEDLO CC#CCCCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000507400936 1021251441 /nfs/dbraw/zinc/25/14/41/1021251441.db2.gz HTTCPRSPSXUXIV-UHFFFAOYSA-N 1 2 343.858 3.759 20 30 EHEDLO Cc1cn2cc(NC(=O)N[C@@H](CCC#N)c3ccccc3)ccc2[nH+]1 ZINC000439388658 1021401762 /nfs/dbraw/zinc/40/17/62/1021401762.db2.gz RGADVNILJMSGEF-KRWDZBQOSA-N 1 2 333.395 3.809 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccnn1C(C)C)c1ccc(Br)cc1 ZINC000894869674 1021539528 /nfs/dbraw/zinc/53/95/28/1021539528.db2.gz BYNBZXGCQMQHTD-MRXNPFEDSA-N 1 2 332.245 3.691 20 30 EHEDLO Cn1c(C[NH2+]CC2(C#N)CCCC2)nc2cc(C(F)(F)F)ccc21 ZINC000593652758 1032997438 /nfs/dbraw/zinc/99/74/38/1032997438.db2.gz KKXPXHZXOAYELF-UHFFFAOYSA-N 1 2 336.361 3.766 20 30 EHEDLO C=CC[N@@H+](Cc1c(C)cc(C(C)(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000440292254 1022070685 /nfs/dbraw/zinc/07/06/85/1022070685.db2.gz GRJGAXOSSRWXPD-SFHVURJKSA-N 1 2 349.540 3.776 20 30 EHEDLO C=CC[N@H+](Cc1c(C)cc(C(C)(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000440292254 1022070703 /nfs/dbraw/zinc/07/07/03/1022070703.db2.gz GRJGAXOSSRWXPD-SFHVURJKSA-N 1 2 349.540 3.776 20 30 EHEDLO N#CC1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000142091326 1033039322 /nfs/dbraw/zinc/03/93/22/1033039322.db2.gz RZOKLELWZUMHKM-UHFFFAOYSA-N 1 2 325.456 3.588 20 30 EHEDLO C[C@@H]1C[C@@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC1=O ZINC000328920641 1022545248 /nfs/dbraw/zinc/54/52/48/1022545248.db2.gz LYBYKYHMFAGDNW-OLZOCXBDSA-N 1 2 335.473 3.722 20 30 EHEDLO COc1c(C)cnc(CN(C)C(=O)Nc2c(C)cc(C)[nH+]c2C)c1C ZINC000331233026 1022776895 /nfs/dbraw/zinc/77/68/95/1022776895.db2.gz JQVLPAFQIWVFJE-UHFFFAOYSA-N 1 2 342.443 3.705 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776143 1022967652 /nfs/dbraw/zinc/96/76/52/1022967652.db2.gz UDAJUNDWQZSADH-AWEZNQCLSA-N 1 2 327.453 3.696 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776143 1022967663 /nfs/dbraw/zinc/96/76/63/1022967663.db2.gz UDAJUNDWQZSADH-AWEZNQCLSA-N 1 2 327.453 3.696 20 30 EHEDLO C=C(C)CCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000458994968 1023044443 /nfs/dbraw/zinc/04/44/43/1023044443.db2.gz GLXQDGMSMUHLAS-UHFFFAOYSA-N 1 2 346.862 3.715 20 30 EHEDLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507276775 1023218855 /nfs/dbraw/zinc/21/88/55/1023218855.db2.gz HAYBOPSOOISLAY-AWEZNQCLSA-N 1 2 327.378 3.720 20 30 EHEDLO C=CCC1(O)CCN(c2c(Cl)c[nH+]c3ccc(OC)cc32)CC1 ZINC000895231209 1024008476 /nfs/dbraw/zinc/00/84/76/1024008476.db2.gz WKYKIOHMFCQMPA-UHFFFAOYSA-N 1 2 332.831 3.804 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176323034 1024026431 /nfs/dbraw/zinc/02/64/31/1024026431.db2.gz AUPMRRRLMMWDQR-CPNJWEJPSA-N 1 2 331.416 3.516 20 30 EHEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000134843017 1024180892 /nfs/dbraw/zinc/18/08/92/1024180892.db2.gz SJQSXLSRBHHQRG-RBUKOAKNSA-N 1 2 349.478 3.647 20 30 EHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330126424 1024327428 /nfs/dbraw/zinc/32/74/28/1024327428.db2.gz MIZWHBFCHIXLDO-UWVAXJGDSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330126424 1024327441 /nfs/dbraw/zinc/32/74/41/1024327441.db2.gz MIZWHBFCHIXLDO-UWVAXJGDSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cn2cc(NC(=O)N[C@H]3CCOC4(CCCCC4)C3)ccc2[nH+]1 ZINC000330238862 1024369314 /nfs/dbraw/zinc/36/93/14/1024369314.db2.gz DOGBIZHGTXOFQV-HNNXBMFYSA-N 1 2 342.443 3.851 20 30 EHEDLO N#CC1(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000346340258 1024663541 /nfs/dbraw/zinc/66/35/41/1024663541.db2.gz PWMDCRIZVHLKTP-UHFFFAOYSA-N 1 2 328.375 3.680 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)CCN1Cc1ccccc1C#N ZINC000346449167 1024742442 /nfs/dbraw/zinc/74/24/42/1024742442.db2.gz UMOGWDNXDWAUJN-UHFFFAOYSA-N 1 2 344.462 3.526 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)CCN1Cc1ccccc1C#N ZINC000346449167 1024742457 /nfs/dbraw/zinc/74/24/57/1024742457.db2.gz UMOGWDNXDWAUJN-UHFFFAOYSA-N 1 2 344.462 3.526 20 30 EHEDLO CC1(C)CN(Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1C#N ZINC000346449167 1024742471 /nfs/dbraw/zinc/74/24/71/1024742471.db2.gz UMOGWDNXDWAUJN-UHFFFAOYSA-N 1 2 344.462 3.526 20 30 EHEDLO CC1(C)CN(Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1C#N ZINC000346449167 1024742482 /nfs/dbraw/zinc/74/24/82/1024742482.db2.gz UMOGWDNXDWAUJN-UHFFFAOYSA-N 1 2 344.462 3.526 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000281393746 1024996349 /nfs/dbraw/zinc/99/63/49/1024996349.db2.gz OJHMGSZPRGISEZ-NVXWUHKLSA-N 1 2 331.460 3.556 20 30 EHEDLO COc1cc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)ccc1C#N ZINC000442807689 1025484840 /nfs/dbraw/zinc/48/48/40/1025484840.db2.gz FWEPNXNGGFYFCD-JOCHJYFZSA-N 1 2 343.430 3.974 20 30 EHEDLO COc1cc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)ccc1C#N ZINC000442807689 1025484850 /nfs/dbraw/zinc/48/48/50/1025484850.db2.gz FWEPNXNGGFYFCD-JOCHJYFZSA-N 1 2 343.430 3.974 20 30 EHEDLO N#CC1(C[N@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000329084639 1025592852 /nfs/dbraw/zinc/59/28/52/1025592852.db2.gz TWIVGWMDHMIFKE-IBGZPJMESA-N 1 2 333.435 3.913 20 30 EHEDLO N#CC1(C[N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000329084639 1025592870 /nfs/dbraw/zinc/59/28/70/1025592870.db2.gz TWIVGWMDHMIFKE-IBGZPJMESA-N 1 2 333.435 3.913 20 30 EHEDLO Cc1[nH]c([C@@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)[nH+]c1C ZINC000895193902 1026090363 /nfs/dbraw/zinc/09/03/63/1026090363.db2.gz WDJZNUNWOIGYHP-LBPRGKRZSA-N 1 2 335.333 3.654 20 30 EHEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccccc1 ZINC000530662811 1026181104 /nfs/dbraw/zinc/18/11/04/1026181104.db2.gz DRIXJOVGTZAOGM-IFXJQAMLSA-N 1 2 330.391 3.801 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccccc1 ZINC000530662811 1026181115 /nfs/dbraw/zinc/18/11/15/1026181115.db2.gz DRIXJOVGTZAOGM-IFXJQAMLSA-N 1 2 330.391 3.801 20 30 EHEDLO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000186330845 1026515585 /nfs/dbraw/zinc/51/55/85/1026515585.db2.gz VIJIOXYAEVBCDW-HNNXBMFYSA-N 1 2 332.407 3.691 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000531802479 1027435742 /nfs/dbraw/zinc/43/57/42/1027435742.db2.gz JZXLNRUMTZYXRG-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000531802479 1027435743 /nfs/dbraw/zinc/43/57/43/1027435743.db2.gz JZXLNRUMTZYXRG-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO C=C(Br)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000131055772 1027733950 /nfs/dbraw/zinc/73/39/50/1027733950.db2.gz IXEWXFIJGFIUBU-UHFFFAOYSA-N 1 2 338.171 3.517 20 30 EHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503364531 1027746039 /nfs/dbraw/zinc/74/60/39/1027746039.db2.gz DSRMSDLNXPBTNN-UHFFFAOYSA-N 1 2 335.426 3.724 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000533427390 1027857640 /nfs/dbraw/zinc/85/76/40/1027857640.db2.gz MWAOSPRQQLUJJF-ZIAGYGMSSA-N 1 2 336.526 3.729 20 30 EHEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502368953 1028148691 /nfs/dbraw/zinc/14/86/91/1028148691.db2.gz STGYLPFSZGHDPI-HXUWFJFHSA-N 1 2 339.483 3.888 20 30 EHEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502368953 1028148701 /nfs/dbraw/zinc/14/87/01/1028148701.db2.gz STGYLPFSZGHDPI-HXUWFJFHSA-N 1 2 339.483 3.888 20 30 EHEDLO CCc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502507407 1028268513 /nfs/dbraw/zinc/26/85/13/1028268513.db2.gz NPLIAUTURGTOLG-UHFFFAOYSA-N 1 2 345.446 3.848 20 30 EHEDLO CCc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502507407 1028268534 /nfs/dbraw/zinc/26/85/34/1028268534.db2.gz NPLIAUTURGTOLG-UHFFFAOYSA-N 1 2 345.446 3.848 20 30 EHEDLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502515658 1028306526 /nfs/dbraw/zinc/30/65/26/1028306526.db2.gz KSIDKBGXVWUTIB-NRFANRHFSA-N 1 2 346.430 3.952 20 30 EHEDLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502515658 1028306537 /nfs/dbraw/zinc/30/65/37/1028306537.db2.gz KSIDKBGXVWUTIB-NRFANRHFSA-N 1 2 346.430 3.952 20 30 EHEDLO COc1ccc(-c2nc(C[NH+]3CCC(C#N)CC3)cs2)cc1OC ZINC000057872242 1028375558 /nfs/dbraw/zinc/37/55/58/1028375558.db2.gz PWVDNHUQOGTMFG-UHFFFAOYSA-N 1 2 343.452 3.563 20 30 EHEDLO Cc1ccc(F)cc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000614992557 1029201890 /nfs/dbraw/zinc/20/18/90/1029201890.db2.gz UWCZAUBWDVXEBU-FQEVSTJZSA-N 1 2 341.405 3.656 20 30 EHEDLO CCCCCCCC[C@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC001272149594 1029676311 /nfs/dbraw/zinc/67/63/11/1029676311.db2.gz UOXUGHJIOFWRKE-IPMKNSEASA-N 1 2 338.536 3.695 20 30 EHEDLO C=C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000159945412 1030463307 /nfs/dbraw/zinc/46/33/07/1030463307.db2.gz QPNMDTHYUCUUBT-KRWDZBQOSA-N 1 2 349.409 3.988 20 30 EHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000537661885 1030916753 /nfs/dbraw/zinc/91/67/53/1030916753.db2.gz VTWOJOCZBUWCOS-CYBMUJFWSA-N 1 2 325.368 3.979 20 30 EHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000537661885 1030916756 /nfs/dbraw/zinc/91/67/56/1030916756.db2.gz VTWOJOCZBUWCOS-CYBMUJFWSA-N 1 2 325.368 3.979 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c1=S ZINC000247221016 1030952289 /nfs/dbraw/zinc/95/22/89/1030952289.db2.gz WDDUXBBVVYLVSR-YJBOKZPZSA-N 1 2 342.512 3.992 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c1=S ZINC000247221016 1030952313 /nfs/dbraw/zinc/95/23/13/1030952313.db2.gz WDDUXBBVVYLVSR-YJBOKZPZSA-N 1 2 342.512 3.992 20 30 EHEDLO N#CCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000343549677 1031342019 /nfs/dbraw/zinc/34/20/19/1031342019.db2.gz KJBZOCHWDLMENE-IBGZPJMESA-N 1 2 328.362 3.604 20 30 EHEDLO N#CCc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000343549677 1031342037 /nfs/dbraw/zinc/34/20/37/1031342037.db2.gz KJBZOCHWDLMENE-IBGZPJMESA-N 1 2 328.362 3.604 20 30 EHEDLO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000657977071 1033785361 /nfs/dbraw/zinc/78/53/61/1033785361.db2.gz XBGGUXUBSXDFER-WBVHZDCISA-N 1 2 326.444 3.608 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1C#N ZINC000599514850 1033973827 /nfs/dbraw/zinc/97/38/27/1033973827.db2.gz LVEGBNPQJPKQBN-OKILXGFUSA-N 1 2 344.409 3.776 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1C#N ZINC000599514850 1033973833 /nfs/dbraw/zinc/97/38/33/1033973833.db2.gz LVEGBNPQJPKQBN-OKILXGFUSA-N 1 2 344.409 3.776 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552906 1034005765 /nfs/dbraw/zinc/00/57/65/1034005765.db2.gz KOUPCUFKXQPVGF-CABCVRRESA-N 1 2 337.286 3.791 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552906 1034005781 /nfs/dbraw/zinc/00/57/81/1034005781.db2.gz KOUPCUFKXQPVGF-CABCVRRESA-N 1 2 337.286 3.791 20 30 EHEDLO N#Cc1cc(-c2ccccc2)sc1NC(=O)CCCn1cc[nH+]c1 ZINC000604527889 1034413392 /nfs/dbraw/zinc/41/33/92/1034413392.db2.gz DMTGEVUHIWCZFI-UHFFFAOYSA-N 1 2 336.420 3.902 20 30 EHEDLO N#CC1(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000596867025 1034440192 /nfs/dbraw/zinc/44/01/92/1034440192.db2.gz OAXIHDZHAAKJEM-UHFFFAOYSA-N 1 2 326.375 3.814 20 30 EHEDLO Cc1cc(C)c(CNC(=O)c2cn(CCCC#N)c3ccccc23)c[nH+]1 ZINC000456843491 1034761059 /nfs/dbraw/zinc/76/10/59/1034761059.db2.gz QSCRXGPTHPJMKP-UHFFFAOYSA-N 1 2 346.434 3.887 20 30 EHEDLO C=CCC[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186708224 1035693832 /nfs/dbraw/zinc/69/38/32/1035693832.db2.gz KMOBBCAZNRCNKC-HXUWFJFHSA-N 1 2 349.478 3.917 20 30 EHEDLO C=C(C)[C@@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1ccc(F)c(F)c1 ZINC000187780188 1035859233 /nfs/dbraw/zinc/85/92/33/1035859233.db2.gz YUKNLKHGMPTQPD-GOSISDBHSA-N 1 2 344.365 3.760 20 30 EHEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000122194203 1036644393 /nfs/dbraw/zinc/64/43/93/1036644393.db2.gz FFHNELAWJRYBKL-CYBMUJFWSA-N 1 2 342.468 3.517 20 30 EHEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000122194203 1036644403 /nfs/dbraw/zinc/64/44/03/1036644403.db2.gz FFHNELAWJRYBKL-CYBMUJFWSA-N 1 2 342.468 3.517 20 30 EHEDLO Cc1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)c(N(C)C)[nH+]1 ZINC000162187107 1036792187 /nfs/dbraw/zinc/79/21/87/1036792187.db2.gz JUDZMAOMMHDVTK-INIZCTEOSA-N 1 2 337.427 3.623 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000590196142 1036795015 /nfs/dbraw/zinc/79/50/15/1036795015.db2.gz UZJSKGIKUGNXSE-AGIUHOORSA-N 1 2 331.485 3.556 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000590196142 1036795021 /nfs/dbraw/zinc/79/50/21/1036795021.db2.gz UZJSKGIKUGNXSE-AGIUHOORSA-N 1 2 331.485 3.556 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1Br ZINC000180912054 1037297563 /nfs/dbraw/zinc/29/75/63/1037297563.db2.gz YAJYMXREUVMWAS-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1Br ZINC000180912054 1037297574 /nfs/dbraw/zinc/29/75/74/1037297574.db2.gz YAJYMXREUVMWAS-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO C#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000491670603 1037612882 /nfs/dbraw/zinc/61/28/82/1037612882.db2.gz DNCBTWUOANUQIF-LJQANCHMSA-N 1 2 349.821 3.689 20 30 EHEDLO C[C@@H](NC(=O)/C=C\c1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000491927848 1037792750 /nfs/dbraw/zinc/79/27/50/1037792750.db2.gz VPYASRSBSMVPFL-ZBTGYSDGSA-N 1 2 342.402 3.635 20 30 EHEDLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000123704697 1038062542 /nfs/dbraw/zinc/06/25/42/1038062542.db2.gz DFGCOBNJJUFLLV-NEPJUHHUSA-N 1 2 345.258 3.732 20 30 EHEDLO O[C@@H]([C@H]1CCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000123704697 1038062559 /nfs/dbraw/zinc/06/25/59/1038062559.db2.gz DFGCOBNJJUFLLV-NEPJUHHUSA-N 1 2 345.258 3.732 20 30 EHEDLO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1c(F)cccc1F ZINC000539224282 1038739358 /nfs/dbraw/zinc/73/93/58/1038739358.db2.gz AZPYEOMTCFTGEG-SNVBAGLBSA-N 1 2 349.768 3.779 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccs2)c1 ZINC000015299342 1039088537 /nfs/dbraw/zinc/08/85/37/1039088537.db2.gz GJDMCOKYHWFKOO-UHFFFAOYSA-N 1 2 341.480 3.744 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccs2)c1 ZINC000015299342 1039088557 /nfs/dbraw/zinc/08/85/57/1039088557.db2.gz GJDMCOKYHWFKOO-UHFFFAOYSA-N 1 2 341.480 3.744 20 30 EHEDLO Cc1cccn2cc(C[S@](=O)CCC3(C#N)CCCCC3)[nH+]c12 ZINC000417143963 1039453832 /nfs/dbraw/zinc/45/38/32/1039453832.db2.gz HLRZTPNAJISXOR-HSZRJFAPSA-N 1 2 329.469 3.756 20 30 EHEDLO CC(C)(C#N)c1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000614175607 1040378346 /nfs/dbraw/zinc/37/83/46/1040378346.db2.gz YLSZNFZWRUZDSA-UHFFFAOYSA-N 1 2 349.478 3.511 20 30 EHEDLO C=CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000479632955 1040444358 /nfs/dbraw/zinc/44/43/58/1040444358.db2.gz CWNSWWZHSXHYJB-INIZCTEOSA-N 1 2 338.854 3.916 20 30 EHEDLO C=CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000479632955 1040444375 /nfs/dbraw/zinc/44/43/75/1040444375.db2.gz CWNSWWZHSXHYJB-INIZCTEOSA-N 1 2 338.854 3.916 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCC1 ZINC000418143778 1040642163 /nfs/dbraw/zinc/64/21/63/1040642163.db2.gz QZXQYKGGGWCIAG-INIZCTEOSA-N 1 2 334.847 3.681 20 30 EHEDLO N#CC1(C[NH2+]Cc2c(Oc3ccc(F)cc3)nc3ccccn32)CC1 ZINC000600152996 1040741661 /nfs/dbraw/zinc/74/16/61/1040741661.db2.gz HMXAGHFLFOEUCJ-UHFFFAOYSA-N 1 2 336.370 3.659 20 30 EHEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000029631337 1040765824 /nfs/dbraw/zinc/76/58/24/1040765824.db2.gz CPAMLHHAEOUSMS-UHFFFAOYSA-N 1 2 343.833 3.981 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3c(Cl)nc4sccn43)n2c1 ZINC000151432479 1040911568 /nfs/dbraw/zinc/91/15/68/1040911568.db2.gz OWZLHSUHLFOJRH-ONEGZZNKSA-N 1 2 342.811 3.901 20 30 EHEDLO C[C@]1(C#N)CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000662080927 1042500377 /nfs/dbraw/zinc/50/03/77/1042500377.db2.gz QTKBEEMRQJOPPF-MRXNPFEDSA-N 1 2 335.245 3.648 20 30 EHEDLO C[C@]1(C#N)CC[N@@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000662080927 1042500381 /nfs/dbraw/zinc/50/03/81/1042500381.db2.gz QTKBEEMRQJOPPF-MRXNPFEDSA-N 1 2 335.245 3.648 20 30 EHEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1SCC#N ZINC000072585073 1126768981 /nfs/dbraw/zinc/76/89/81/1126768981.db2.gz CCYPBWOSEWZKLC-UHFFFAOYSA-N 1 2 345.390 3.515 20 30 EHEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1SCC#N ZINC000072585073 1126768983 /nfs/dbraw/zinc/76/89/83/1126768983.db2.gz CCYPBWOSEWZKLC-UHFFFAOYSA-N 1 2 345.390 3.515 20 30 EHEDLO C#CC[N@@H+](Cc1ncc(-c2cccc(Br)c2)o1)C1CC1 ZINC000763959334 1126987261 /nfs/dbraw/zinc/98/72/61/1126987261.db2.gz FVVBYFUJTLFRLG-UHFFFAOYSA-N 1 2 331.213 3.702 20 30 EHEDLO C#CC[N@H+](Cc1ncc(-c2cccc(Br)c2)o1)C1CC1 ZINC000763959334 1126987263 /nfs/dbraw/zinc/98/72/63/1126987263.db2.gz FVVBYFUJTLFRLG-UHFFFAOYSA-N 1 2 331.213 3.702 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000764965265 1127560146 /nfs/dbraw/zinc/56/01/46/1127560146.db2.gz UPKQJQOTSHBCHN-CQSZACIVSA-N 1 2 344.484 3.575 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000764965265 1127560150 /nfs/dbraw/zinc/56/01/50/1127560150.db2.gz UPKQJQOTSHBCHN-CQSZACIVSA-N 1 2 344.484 3.575 20 30 EHEDLO N#Cc1c(Nc2ccc[nH+]c2N2CCOCC2)cccc1C(F)(F)F ZINC001212361804 1127991403 /nfs/dbraw/zinc/99/14/03/1127991403.db2.gz AIZVVZJCFRFXFT-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO C=CCCC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000921647092 1128420487 /nfs/dbraw/zinc/42/04/87/1128420487.db2.gz YYQGFLGGTYQZOR-IBGZPJMESA-N 1 2 337.467 3.976 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc4occc4c3)CC2)cc1 ZINC000347636146 1128499557 /nfs/dbraw/zinc/49/95/57/1128499557.db2.gz INEOUMKPNUDHMX-UHFFFAOYSA-N 1 2 331.419 3.622 20 30 EHEDLO N#Cc1ccc(NCCc2cn3ccccc3[nH+]2)cc1C(F)(F)F ZINC000301158500 1128575288 /nfs/dbraw/zinc/57/52/88/1128575288.db2.gz DWLFWUKVJQWNQV-UHFFFAOYSA-N 1 2 330.313 3.879 20 30 EHEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000494653773 1120720036 /nfs/dbraw/zinc/72/00/36/1120720036.db2.gz ZRUZZFQWRDUTQZ-UHFFFAOYSA-N 1 2 329.469 3.792 20 30 EHEDLO C=CC[N@H+](C)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000494653773 1120720041 /nfs/dbraw/zinc/72/00/41/1120720041.db2.gz ZRUZZFQWRDUTQZ-UHFFFAOYSA-N 1 2 329.469 3.792 20 30 EHEDLO CC(C)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000761759715 1120891950 /nfs/dbraw/zinc/89/19/50/1120891950.db2.gz PSHPGNIXKOWZIJ-NRFANRHFSA-N 1 2 336.435 3.919 20 30 EHEDLO CC(C)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000761759715 1120891955 /nfs/dbraw/zinc/89/19/55/1120891955.db2.gz PSHPGNIXKOWZIJ-NRFANRHFSA-N 1 2 336.435 3.919 20 30 EHEDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000153540032 1121291037 /nfs/dbraw/zinc/29/10/37/1121291037.db2.gz ZZUGYFGATVFLBK-LBPRGKRZSA-N 1 2 343.452 3.551 20 30 EHEDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000153540032 1121291041 /nfs/dbraw/zinc/29/10/41/1121291041.db2.gz ZZUGYFGATVFLBK-LBPRGKRZSA-N 1 2 343.452 3.551 20 30 EHEDLO C[C@@H](C#N)Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000032875833 1122177752 /nfs/dbraw/zinc/17/77/52/1122177752.db2.gz VCGQOMMDNLPRNO-GJZGRUSLSA-N 1 2 341.484 3.818 20 30 EHEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1CC)[C@@H]1CCc2ccccc21 ZINC000917117472 1122511845 /nfs/dbraw/zinc/51/18/45/1122511845.db2.gz NPGIZCXWOAOEQH-OAQYLSRUSA-N 1 2 332.447 3.810 20 30 EHEDLO C#CC[N@H+](CC(=O)Nc1ccccc1CC)[C@@H]1CCc2ccccc21 ZINC000917117472 1122511847 /nfs/dbraw/zinc/51/18/47/1122511847.db2.gz NPGIZCXWOAOEQH-OAQYLSRUSA-N 1 2 332.447 3.810 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1C ZINC000128201139 1122537500 /nfs/dbraw/zinc/53/75/00/1122537500.db2.gz FVUFCIRURJOGIQ-QGZVFWFLSA-N 1 2 339.439 3.836 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccco2)c1C ZINC000128201139 1122537503 /nfs/dbraw/zinc/53/75/03/1122537503.db2.gz FVUFCIRURJOGIQ-QGZVFWFLSA-N 1 2 339.439 3.836 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2ccn(-c3ccccc3)n2)C2CC2)cc1 ZINC000195411650 1123419675 /nfs/dbraw/zinc/41/96/75/1123419675.db2.gz QECUSNZRDGZQNY-UHFFFAOYSA-N 1 2 328.419 3.909 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2ccn(-c3ccccc3)n2)C2CC2)cc1 ZINC000195411650 1123419676 /nfs/dbraw/zinc/41/96/76/1123419676.db2.gz QECUSNZRDGZQNY-UHFFFAOYSA-N 1 2 328.419 3.909 20 30 EHEDLO N#CCSc1cccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000079409528 1123693442 /nfs/dbraw/zinc/69/34/42/1123693442.db2.gz CXBGJYNHMANCRS-UHFFFAOYSA-N 1 2 334.404 3.740 20 30 EHEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181291702 1124729515 /nfs/dbraw/zinc/72/95/15/1124729515.db2.gz ALIKCKKCXVTDEO-CQSZACIVSA-N 1 2 347.260 3.560 20 30 EHEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181291702 1124729518 /nfs/dbraw/zinc/72/95/18/1124729518.db2.gz ALIKCKKCXVTDEO-CQSZACIVSA-N 1 2 347.260 3.560 20 30 EHEDLO C[C@H](c1ccncc1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619295479 1125329210 /nfs/dbraw/zinc/32/92/10/1125329210.db2.gz SJHPEHVMXIQCIG-BEFAXECRSA-N 1 2 340.858 3.678 20 30 EHEDLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000067132998 1129247231 /nfs/dbraw/zinc/24/72/31/1129247231.db2.gz PVSJKSUDHCRYIB-FOIQADDNSA-N 1 2 345.402 3.857 20 30 EHEDLO C=CCNC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000543245011 1129367032 /nfs/dbraw/zinc/36/70/32/1129367032.db2.gz AQBVPLXVUOHAGO-GOSISDBHSA-N 1 2 349.261 3.975 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000125253586 1129674972 /nfs/dbraw/zinc/67/49/72/1129674972.db2.gz FWKGRKGVVNGUCR-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000125253586 1129674974 /nfs/dbraw/zinc/67/49/74/1129674974.db2.gz FWKGRKGVVNGUCR-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000156039941 1129690173 /nfs/dbraw/zinc/69/01/73/1129690173.db2.gz NDKYPUNHTHFDBA-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000156039941 1129690175 /nfs/dbraw/zinc/69/01/75/1129690175.db2.gz NDKYPUNHTHFDBA-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131206987 1129775671 /nfs/dbraw/zinc/77/56/71/1129775671.db2.gz KBHLQNBULXSSFT-UHFFFAOYSA-N 1 2 347.321 3.700 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131206987 1129775672 /nfs/dbraw/zinc/77/56/72/1129775672.db2.gz KBHLQNBULXSSFT-UHFFFAOYSA-N 1 2 347.321 3.700 20 30 EHEDLO Cc1c(N[NH+]=Cc2ccc(N(C)CCC#N)cc2)cccc1[N+](=O)[O-] ZINC000727972639 1130614709 /nfs/dbraw/zinc/61/47/09/1130614709.db2.gz AJMLURWGHAUWPF-UHFFFAOYSA-N 1 2 337.383 3.699 20 30 EHEDLO COc1ccc(-c2nc(C)c(C(=O)/C=C\c3[nH]cc[nH+]3)s2)cc1 ZINC000731159702 1130774441 /nfs/dbraw/zinc/77/44/41/1130774441.db2.gz VKXTZMGGYUSYQA-FPLPWBNLSA-N 1 2 325.393 3.746 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c1=S ZINC000733297831 1131023535 /nfs/dbraw/zinc/02/35/35/1131023535.db2.gz BIYOCEZKRNRIAZ-IBGZPJMESA-N 1 2 342.512 3.920 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)c1=S ZINC000733297831 1131023539 /nfs/dbraw/zinc/02/35/39/1131023539.db2.gz BIYOCEZKRNRIAZ-IBGZPJMESA-N 1 2 342.512 3.920 20 30 EHEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000178920282 1131445450 /nfs/dbraw/zinc/44/54/50/1131445450.db2.gz WEZKMIBUPDRLAL-UHFFFAOYSA-N 1 2 338.838 3.708 20 30 EHEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000178920282 1131445452 /nfs/dbraw/zinc/44/54/52/1131445452.db2.gz WEZKMIBUPDRLAL-UHFFFAOYSA-N 1 2 338.838 3.708 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861770 1131550216 /nfs/dbraw/zinc/55/02/16/1131550216.db2.gz YOTQGDLPJHIALL-CVEARBPZSA-N 1 2 342.512 3.879 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861770 1131550220 /nfs/dbraw/zinc/55/02/20/1131550220.db2.gz YOTQGDLPJHIALL-CVEARBPZSA-N 1 2 342.512 3.879 20 30 EHEDLO Cc1cccn2c(/C=C/C(=O)c3cnn(-c4ccccc4)c3)c[nH+]c12 ZINC000741467533 1131605921 /nfs/dbraw/zinc/60/59/21/1131605921.db2.gz NOOPUPZGRWDOGY-MDZDMXLPSA-N 1 2 328.375 3.725 20 30 EHEDLO CCOc1c(C[NH2+]Cc2cc(C#N)ccc2F)c(C)nn1CC(C)C ZINC000742382036 1131712758 /nfs/dbraw/zinc/71/27/58/1131712758.db2.gz YMASFWMMAXDVIO-UHFFFAOYSA-N 1 2 344.434 3.547 20 30 EHEDLO C[C@@H](CCCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001172501498 1131761518 /nfs/dbraw/zinc/76/15/18/1131761518.db2.gz DIROAFXFVCFERY-STQMWFEESA-N 1 2 349.397 3.552 20 30 EHEDLO C[C@@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001172501498 1131761521 /nfs/dbraw/zinc/76/15/21/1131761521.db2.gz DIROAFXFVCFERY-STQMWFEESA-N 1 2 349.397 3.552 20 30 EHEDLO CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173334722 1132051276 /nfs/dbraw/zinc/05/12/76/1132051276.db2.gz WGEUYQRQQPHYEB-IUPXNIOVSA-N 1 2 348.874 3.876 20 30 EHEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000745170682 1132212816 /nfs/dbraw/zinc/21/28/16/1132212816.db2.gz JKWUHEDOBLTPKR-KGLIPLIRSA-N 1 2 327.453 3.595 20 30 EHEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000745170682 1132212821 /nfs/dbraw/zinc/21/28/21/1132212821.db2.gz JKWUHEDOBLTPKR-KGLIPLIRSA-N 1 2 327.453 3.595 20 30 EHEDLO C=C(C)n1c(-c2nn(C(C)C)c3nc[nH+]c(N)c23)cc2cc(O)ccc21 ZINC001174788310 1132463133 /nfs/dbraw/zinc/46/31/33/1132463133.db2.gz ZMXLFWKTEFEKRW-UHFFFAOYSA-N 1 2 348.410 3.807 20 30 EHEDLO Cc1[nH]c(=O)c(CNc2cc(C3(C#N)CC3)cc[nH+]2)c2c1CCCC2 ZINC001169400841 1132747621 /nfs/dbraw/zinc/74/76/21/1132747621.db2.gz IDNSDZQWHIFRAZ-UHFFFAOYSA-N 1 2 334.423 3.537 20 30 EHEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176234608 1132883036 /nfs/dbraw/zinc/88/30/36/1132883036.db2.gz FECXEIMDYAMUIS-NSHDSACASA-N 1 2 327.291 3.720 20 30 EHEDLO C=C(Br)C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176234608 1132883049 /nfs/dbraw/zinc/88/30/49/1132883049.db2.gz FECXEIMDYAMUIS-NSHDSACASA-N 1 2 327.291 3.720 20 30 EHEDLO N#Cc1ccnc(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)c1 ZINC001176848232 1133008374 /nfs/dbraw/zinc/00/83/74/1133008374.db2.gz ABIDHRATDKLMIP-UHFFFAOYSA-N 1 2 339.826 3.702 20 30 EHEDLO C=CCN(C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC001176964069 1133015889 /nfs/dbraw/zinc/01/58/89/1133015889.db2.gz CZZULFPIHDOPRV-KRWDZBQOSA-N 1 2 327.472 3.645 20 30 EHEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Br)cc(F)c(C)c2F)C1 ZINC001249876976 1133184025 /nfs/dbraw/zinc/18/40/25/1133184025.db2.gz WYDGUCSTWOXNOP-NSHDSACASA-N 1 2 328.200 3.881 20 30 EHEDLO C#C[C@H]1CCC[N@H+](Cc2c(Br)cc(F)c(C)c2F)C1 ZINC001249876976 1133184028 /nfs/dbraw/zinc/18/40/28/1133184028.db2.gz WYDGUCSTWOXNOP-NSHDSACASA-N 1 2 328.200 3.881 20 30 EHEDLO Cc1ccc(N=C2NC(=O)/C(=C\c3cccc4[nH+]ccn43)S2)c(C)c1 ZINC000771281007 1133535501 /nfs/dbraw/zinc/53/55/01/1133535501.db2.gz HQMCQNHPEOSUQN-LFIBNONCSA-N 1 2 348.431 3.843 20 30 EHEDLO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000772347286 1133677235 /nfs/dbraw/zinc/67/72/35/1133677235.db2.gz QGCJKAKIKQHRDC-MCIONIFRSA-N 1 2 327.453 3.735 20 30 EHEDLO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000772347286 1133677236 /nfs/dbraw/zinc/67/72/36/1133677236.db2.gz QGCJKAKIKQHRDC-MCIONIFRSA-N 1 2 327.453 3.735 20 30 EHEDLO N#CC1CC[NH+](Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774862024 1134069419 /nfs/dbraw/zinc/06/94/19/1134069419.db2.gz HNRIAXPSYNVWBQ-UHFFFAOYSA-N 1 2 336.258 3.794 20 30 EHEDLO Cc1c(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000790162931 1134376451 /nfs/dbraw/zinc/37/64/51/1134376451.db2.gz ZNNUNYDILVGFGD-UHFFFAOYSA-N 1 2 327.388 3.589 20 30 EHEDLO CCCCCCCNC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001191118425 1134795840 /nfs/dbraw/zinc/79/58/40/1134795840.db2.gz GNJPFFYLZLMHDJ-UHFFFAOYSA-N 1 2 332.492 3.568 20 30 EHEDLO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ccncc4C#N)CC3)c2c1 ZINC001192081414 1134960316 /nfs/dbraw/zinc/96/03/16/1134960316.db2.gz YKOUXZUROATJBW-UHFFFAOYSA-N 1 2 344.418 3.732 20 30 EHEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4ccncc4C#N)CC3)c2c1 ZINC001192081414 1134960322 /nfs/dbraw/zinc/96/03/22/1134960322.db2.gz YKOUXZUROATJBW-UHFFFAOYSA-N 1 2 344.418 3.732 20 30 EHEDLO Cc1nn(C)c2sc(C(=O)/C=C\c3c[nH+]c4cccc(C)n34)cc12 ZINC000806578880 1135455499 /nfs/dbraw/zinc/45/54/99/1135455499.db2.gz NUJPEDCGCPNYEO-FPLPWBNLSA-N 1 2 336.420 3.795 20 30 EHEDLO Cc1[nH+]cc(CN=Nc2nccnc2C2CCC2)n1-c1ccccc1 ZINC000807993198 1135600220 /nfs/dbraw/zinc/60/02/20/1135600220.db2.gz ZONCXCRGAQWNGM-UHFFFAOYSA-N 1 2 332.411 3.684 20 30 EHEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001197184715 1135653496 /nfs/dbraw/zinc/65/34/96/1135653496.db2.gz FCFAEIDZNMYBLT-INIZCTEOSA-N 1 2 333.859 3.745 20 30 EHEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001197184715 1135653499 /nfs/dbraw/zinc/65/34/99/1135653499.db2.gz FCFAEIDZNMYBLT-INIZCTEOSA-N 1 2 333.859 3.745 20 30 EHEDLO C#C[C@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1F ZINC000810231568 1135942060 /nfs/dbraw/zinc/94/20/60/1135942060.db2.gz FVXFLOYISMLVLY-HNNXBMFYSA-N 1 2 342.761 3.623 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)c2nccc3ccccc32)C1 ZINC000810715906 1135996289 /nfs/dbraw/zinc/99/62/89/1135996289.db2.gz CNDCXCWZFNAVSE-JXFKEZNVSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)c2nccc3ccccc32)C1 ZINC000810715906 1135996290 /nfs/dbraw/zinc/99/62/90/1135996290.db2.gz CNDCXCWZFNAVSE-JXFKEZNVSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)C(C#N)c2nccc3ccccc32)C1 ZINC000810715906 1135996294 /nfs/dbraw/zinc/99/62/94/1135996294.db2.gz CNDCXCWZFNAVSE-JXFKEZNVSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)C(C#N)c2nccc3ccccc32)C1 ZINC000810715906 1135996296 /nfs/dbraw/zinc/99/62/96/1135996296.db2.gz CNDCXCWZFNAVSE-JXFKEZNVSA-N 1 2 339.414 3.624 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000852327128 1136448889 /nfs/dbraw/zinc/44/88/89/1136448889.db2.gz RQZJTYVDKWOMEH-JOCHJYFZSA-N 1 2 349.478 3.588 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000852327128 1136448891 /nfs/dbraw/zinc/44/88/91/1136448891.db2.gz RQZJTYVDKWOMEH-JOCHJYFZSA-N 1 2 349.478 3.588 20 30 EHEDLO CC(=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cc(F)c(N)c(F)c1 ZINC000814795148 1136505671 /nfs/dbraw/zinc/50/56/71/1136505671.db2.gz SAKPAWMGTSIBCY-UHFFFAOYSA-N 1 2 337.280 3.538 20 30 EHEDLO O=[N+]([O-])c1cc(N[NH+]=C2CC[C@H]3CNc4cccc2c43)ccc1F ZINC000814904967 1136523111 /nfs/dbraw/zinc/52/31/11/1136523111.db2.gz IAIAELJKOHYCSS-JTQLQIEISA-N 1 2 326.331 3.853 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)C[C@@H](O)c1cccs1 ZINC000853456349 1136534088 /nfs/dbraw/zinc/53/40/88/1136534088.db2.gz PQFSPYKXYHPASD-LSDHHAIUSA-N 1 2 330.453 3.859 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cnccc1C(F)(F)F ZINC000853997462 1136579112 /nfs/dbraw/zinc/57/91/12/1136579112.db2.gz KWOXYEKQLFLULK-UHFFFAOYSA-N 1 2 335.329 3.900 20 30 EHEDLO COc1cc(Cl)ccc1C(=O)/C=C/c1ncc(C[NH+](C)C)s1 ZINC000817346708 1136800907 /nfs/dbraw/zinc/80/09/07/1136800907.db2.gz RGQXGDKSDFDNGO-VOTSOKGWSA-N 1 2 336.844 3.763 20 30 EHEDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)nc1 ZINC000858041410 1136934357 /nfs/dbraw/zinc/93/43/57/1136934357.db2.gz UQFOYBOGOGCLHF-KRWDZBQOSA-N 1 2 327.815 3.568 20 30 EHEDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)nc1 ZINC000858041410 1136934358 /nfs/dbraw/zinc/93/43/58/1136934358.db2.gz UQFOYBOGOGCLHF-KRWDZBQOSA-N 1 2 327.815 3.568 20 30 EHEDLO N=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2ccccc2n1 ZINC001171048099 1137126730 /nfs/dbraw/zinc/12/67/30/1137126730.db2.gz JKPGUKUKQPHMTO-UHFFFAOYSA-N 1 2 327.391 3.517 20 30 EHEDLO C=CC[C@H]([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1)C(=O)OC ZINC001171066928 1137153477 /nfs/dbraw/zinc/15/34/77/1137153477.db2.gz RSZDHYWWHCGHFG-WFASDCNBSA-N 1 2 328.239 3.558 20 30 EHEDLO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143725157 1137194063 /nfs/dbraw/zinc/19/40/63/1137194063.db2.gz WXONTZPTJQAGIW-KXBFYZLASA-N 1 2 348.874 3.619 20 30 EHEDLO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143725157 1137194064 /nfs/dbraw/zinc/19/40/64/1137194064.db2.gz WXONTZPTJQAGIW-KXBFYZLASA-N 1 2 348.874 3.619 20 30 EHEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ncc(C[NH+](C)C)s1 ZINC000794697346 1137236036 /nfs/dbraw/zinc/23/60/36/1137236036.db2.gz DRRGSQJDTOEUAK-CMDGGOBGSA-N 1 2 325.437 3.891 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](c3ccccc3)C2)nc1C1CC1 ZINC000120270393 1137249443 /nfs/dbraw/zinc/24/94/43/1137249443.db2.gz QSLTZVOAOLZWHU-KRWDZBQOSA-N 1 2 340.496 3.924 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](c3ccccc3)C2)nc1C1CC1 ZINC000120270393 1137249445 /nfs/dbraw/zinc/24/94/45/1137249445.db2.gz QSLTZVOAOLZWHU-KRWDZBQOSA-N 1 2 340.496 3.924 20 30 EHEDLO CN(CCC#N)c1ccc(CNc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000120495157 1137276197 /nfs/dbraw/zinc/27/61/97/1137276197.db2.gz XMAOCCBCNUVZRY-UHFFFAOYSA-N 1 2 331.423 3.834 20 30 EHEDLO CC(C)(C)c1cn(CC(=O)N(CCC#N)c2cccc(Cl)c2)c[nH+]1 ZINC000865375125 1137278505 /nfs/dbraw/zinc/27/85/05/1137278505.db2.gz PMCJMBWXMKAKCW-UHFFFAOYSA-N 1 2 344.846 3.781 20 30 EHEDLO COC(=O)c1ccc(Cl)c(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000794856069 1137304116 /nfs/dbraw/zinc/30/41/16/1137304116.db2.gz BYNXIVMMVSFTDS-UHFFFAOYSA-N 1 2 339.782 3.543 20 30 EHEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)c1 ZINC001144559133 1137309674 /nfs/dbraw/zinc/30/96/74/1137309674.db2.gz JIMFXJLSOBYUEQ-MRXNPFEDSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c(F)cc(O)cc3F)C2)c1 ZINC001144559133 1137309676 /nfs/dbraw/zinc/30/96/76/1137309676.db2.gz JIMFXJLSOBYUEQ-MRXNPFEDSA-N 1 2 344.361 3.585 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001171233160 1137356168 /nfs/dbraw/zinc/35/61/68/1137356168.db2.gz ZMPRRTWZZNWXIZ-VQIMIIECSA-N 1 2 347.453 3.685 20 30 EHEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cscn2)ccc1OC ZINC000772987151 1137419524 /nfs/dbraw/zinc/41/95/24/1137419524.db2.gz TUUQMBRWUWJQPZ-TZMCWYRMSA-N 1 2 331.441 3.683 20 30 EHEDLO N#CC1CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000173587196 1137436168 /nfs/dbraw/zinc/43/61/68/1137436168.db2.gz MUBJVQLLMGSXLP-UHFFFAOYSA-N 1 2 346.228 3.840 20 30 EHEDLO CC(C)(CCC#N)c1ccc(C(=O)Nc2cc[nH+]c3c2CCC3)cc1 ZINC001148900936 1137437458 /nfs/dbraw/zinc/43/74/58/1137437458.db2.gz ONBWGKXJEXLVGU-UHFFFAOYSA-N 1 2 333.435 3.826 20 30 EHEDLO COC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(Cl)c1 ZINC000877537037 1137680296 /nfs/dbraw/zinc/68/02/96/1137680296.db2.gz GHGXVNZYFSOPMY-HNNXBMFYSA-N 1 2 336.222 3.737 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000877571051 1137681584 /nfs/dbraw/zinc/68/15/84/1137681584.db2.gz RAGDETQOGHMONR-GFCCVEGCSA-N 1 2 337.732 3.801 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000878166854 1137705547 /nfs/dbraw/zinc/70/55/47/1137705547.db2.gz HQCSUKFNLVVTQZ-LJQANCHMSA-N 1 2 341.842 3.607 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000878166854 1137705548 /nfs/dbraw/zinc/70/55/48/1137705548.db2.gz HQCSUKFNLVVTQZ-LJQANCHMSA-N 1 2 341.842 3.607 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3ncccc3Br)CCC2)cc1 ZINC000878846893 1137729888 /nfs/dbraw/zinc/72/98/88/1137729888.db2.gz NKUGSJSXSPPDKS-UHFFFAOYSA-N 1 2 342.240 3.885 20 30 EHEDLO C=CCCC[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000879297006 1137743811 /nfs/dbraw/zinc/74/38/11/1137743811.db2.gz GBTHYHSSNQOVHX-RTBURBONSA-N 1 2 337.467 3.876 20 30 EHEDLO C=C(Cl)C[NH+]1CCC(c2nc(C)c(C(=O)OCC)s2)CC1 ZINC000879678078 1137755066 /nfs/dbraw/zinc/75/50/66/1137755066.db2.gz PFAAGVMXPFFNEK-UHFFFAOYSA-N 1 2 328.865 3.560 20 30 EHEDLO C[N@H+](CC(F)F)C1CCN(c2cccc(-n3cccc3)c2C#N)CC1 ZINC000882058293 1137819987 /nfs/dbraw/zinc/81/99/87/1137819987.db2.gz NMEKTZYXJOJDFF-UHFFFAOYSA-N 1 2 344.409 3.515 20 30 EHEDLO C[N@@H+](CC(F)F)C1CCN(c2cccc(-n3cccc3)c2C#N)CC1 ZINC000882058293 1137819988 /nfs/dbraw/zinc/81/99/88/1137819988.db2.gz NMEKTZYXJOJDFF-UHFFFAOYSA-N 1 2 344.409 3.515 20 30 EHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](Cc1ccccc1)C(C)C ZINC000131013116 1137845180 /nfs/dbraw/zinc/84/51/80/1137845180.db2.gz FTGWWKRTGGYKOM-UHFFFAOYSA-N 1 2 345.450 3.993 20 30 EHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](Cc1ccccc1)C(C)C ZINC000131013116 1137845181 /nfs/dbraw/zinc/84/51/81/1137845181.db2.gz FTGWWKRTGGYKOM-UHFFFAOYSA-N 1 2 345.450 3.993 20 30 EHEDLO CC(C)c1noc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104716047 1137879166 /nfs/dbraw/zinc/87/91/66/1137879166.db2.gz BLUWFLARAVLSKA-AWEZNQCLSA-N 1 2 340.427 3.669 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c(OC(F)F)c1 ZINC000348286877 1137899242 /nfs/dbraw/zinc/89/92/42/1137899242.db2.gz CQWASDLQNXTUMS-INIZCTEOSA-N 1 2 329.350 3.892 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)c(OC(F)F)c1 ZINC000348286877 1137899243 /nfs/dbraw/zinc/89/92/43/1137899243.db2.gz CQWASDLQNXTUMS-INIZCTEOSA-N 1 2 329.350 3.892 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000114723953 1137918702 /nfs/dbraw/zinc/91/87/02/1137918702.db2.gz XYSPSWXIMPIIQI-HNNXBMFYSA-N 1 2 329.469 3.693 20 30 EHEDLO N#C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1cccc(Cl)c1Cl ZINC000331798983 1137921236 /nfs/dbraw/zinc/92/12/36/1137921236.db2.gz QCFRHPCYCNZNPK-GWCFXTLKSA-N 1 2 349.221 3.517 20 30 EHEDLO C=CCC1(O)CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000886761356 1138134021 /nfs/dbraw/zinc/13/40/21/1138134021.db2.gz CKSCLNLOQZUQES-UHFFFAOYSA-N 1 2 344.480 3.625 20 30 EHEDLO C=C[C@H]1CCCCN1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889548916 1139230361 /nfs/dbraw/zinc/23/03/61/1139230361.db2.gz OMYCISQPNGKRGX-ULQDDVLXSA-N 1 2 328.460 3.555 20 30 EHEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174868149 1139446731 /nfs/dbraw/zinc/44/67/31/1139446731.db2.gz ZVNPRVTUFLWBAE-CABCVRRESA-N 1 2 341.480 3.563 20 30 EHEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174868149 1139446735 /nfs/dbraw/zinc/44/67/35/1139446735.db2.gz ZVNPRVTUFLWBAE-CABCVRRESA-N 1 2 341.480 3.563 20 30 EHEDLO N#CCSCCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186191463 1140191595 /nfs/dbraw/zinc/19/15/95/1140191595.db2.gz JNEAEGNSXFGDFC-UHFFFAOYSA-N 1 2 343.265 3.593 20 30 EHEDLO N#CCSCCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186191463 1140191597 /nfs/dbraw/zinc/19/15/97/1140191597.db2.gz JNEAEGNSXFGDFC-UHFFFAOYSA-N 1 2 343.265 3.593 20 30 EHEDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000348831923 1141590860 /nfs/dbraw/zinc/59/08/60/1141590860.db2.gz HDLAJYNACLVJDJ-SFHVURJKSA-N 1 2 340.427 3.788 20 30 EHEDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000348831923 1141590865 /nfs/dbraw/zinc/59/08/65/1141590865.db2.gz HDLAJYNACLVJDJ-SFHVURJKSA-N 1 2 340.427 3.788 20 30 EHEDLO C=C(Br)C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000271721900 1029800622 /nfs/dbraw/zinc/80/06/22/1029800622.db2.gz OAVUGAFWKPGSBX-SECBINFHSA-N 1 2 330.176 3.991 20 30 EHEDLO Cc1cnc(C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)s1 ZINC000459434539 1032122707 /nfs/dbraw/zinc/12/27/07/1032122707.db2.gz WAYFQXFLZTVABA-UHFFFAOYSA-N 1 2 342.424 3.611 20 30 EHEDLO N#Cc1c(Cl)c2ccccc2nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167125596 1016206068 /nfs/dbraw/zinc/20/60/68/1016206068.db2.gz QENDFPSERXAKAP-UHFFFAOYSA-N 1 2 337.814 3.798 20 30 EHEDLO CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000460981220 1032176946 /nfs/dbraw/zinc/17/69/46/1032176946.db2.gz QPESEMVUTLYBKH-UHFFFAOYSA-N 1 2 339.483 3.563 20 30 EHEDLO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000924597313 1017074173 /nfs/dbraw/zinc/07/41/73/1017074173.db2.gz IDPRWIBQYFUAAQ-DLBZAZTESA-N 1 2 330.815 3.692 20 30 EHEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccoc1 ZINC000102517462 1032427650 /nfs/dbraw/zinc/42/76/50/1032427650.db2.gz DPPIRZLVSXIJNG-UHFFFAOYSA-N 1 2 339.439 3.665 20 30 EHEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccoc1 ZINC000102517462 1032427666 /nfs/dbraw/zinc/42/76/66/1032427666.db2.gz DPPIRZLVSXIJNG-UHFFFAOYSA-N 1 2 339.439 3.665 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000537253914 1032584808 /nfs/dbraw/zinc/58/48/08/1032584808.db2.gz ZZQFAASENPIDKY-IRXDYDNUSA-N 1 2 345.487 3.946 20 30 EHEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602110472 1032656261 /nfs/dbraw/zinc/65/62/61/1032656261.db2.gz KTZRGTQBUJCPBW-GOSISDBHSA-N 1 2 339.443 3.803 20 30 EHEDLO COc1ccc(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)nc1 ZINC000593041832 1032678657 /nfs/dbraw/zinc/67/86/57/1032678657.db2.gz QLAZYTHDOVZKJA-UHFFFAOYSA-N 1 2 341.842 3.995 20 30 EHEDLO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000375614302 1017534372 /nfs/dbraw/zinc/53/43/72/1017534372.db2.gz UXMWQFUYURIWFW-CQSZACIVSA-N 1 2 347.422 3.525 20 30 EHEDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000528766243 1032768627 /nfs/dbraw/zinc/76/86/27/1032768627.db2.gz DUTUQLQEJLYOFA-JTQLQIEISA-N 1 2 329.188 3.940 20 30 EHEDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000528766243 1032768639 /nfs/dbraw/zinc/76/86/39/1032768639.db2.gz DUTUQLQEJLYOFA-JTQLQIEISA-N 1 2 329.188 3.940 20 30 EHEDLO C[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)n1cc[nH+]c1 ZINC000580197345 1018772873 /nfs/dbraw/zinc/77/28/73/1018772873.db2.gz ZIIOZSXTGYXUMZ-RYUDHWBXSA-N 1 2 328.441 3.531 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000614407254 1018993175 /nfs/dbraw/zinc/99/31/75/1018993175.db2.gz KJVOKTOIOWRXBG-UHFFFAOYSA-N 1 2 346.409 3.750 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000614407254 1018993186 /nfs/dbraw/zinc/99/31/86/1018993186.db2.gz KJVOKTOIOWRXBG-UHFFFAOYSA-N 1 2 346.409 3.750 20 30 EHEDLO C=CC[C@@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000597998137 1032819647 /nfs/dbraw/zinc/81/96/47/1032819647.db2.gz MGUSQDTWJAFSKE-MRXNPFEDSA-N 1 2 343.496 3.691 20 30 EHEDLO C=CCCCCCN(C)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476093620 1032842345 /nfs/dbraw/zinc/84/23/45/1032842345.db2.gz ZJXRXTGMDADVJW-UHFFFAOYSA-N 1 2 335.398 3.828 20 30 EHEDLO N#Cc1ccc2nc(NCc3cc[nH+]c(N4CCCC4)c3)ccc2c1 ZINC000092886928 1032851035 /nfs/dbraw/zinc/85/10/35/1032851035.db2.gz OMIXSYNPGIMFSJ-UHFFFAOYSA-N 1 2 329.407 3.714 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1n[nH]cc1Br ZINC000579786190 1019882716 /nfs/dbraw/zinc/88/27/16/1019882716.db2.gz MPUGJYXIMYYYIX-HNNXBMFYSA-N 1 2 345.244 3.601 20 30 EHEDLO COCCc1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000602480206 1032910915 /nfs/dbraw/zinc/91/09/15/1032910915.db2.gz AMFFKSVJGBRVMG-ROUUACIJSA-N 1 2 341.480 3.604 20 30 EHEDLO COCCc1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000602480206 1032910925 /nfs/dbraw/zinc/91/09/25/1032910925.db2.gz AMFFKSVJGBRVMG-ROUUACIJSA-N 1 2 341.480 3.604 20 30 EHEDLO Clc1ccc(C#CC[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000426357696 1021376334 /nfs/dbraw/zinc/37/63/34/1021376334.db2.gz RXMASLRJFZAPQF-UHFFFAOYSA-N 1 2 346.261 3.562 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000439459278 1021445352 /nfs/dbraw/zinc/44/53/52/1021445352.db2.gz GFVQTZNTPNNUIG-OAHLLOKOSA-N 1 2 341.846 3.587 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000439459278 1021445357 /nfs/dbraw/zinc/44/53/57/1021445357.db2.gz GFVQTZNTPNNUIG-OAHLLOKOSA-N 1 2 341.846 3.587 20 30 EHEDLO N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425674917 1021468777 /nfs/dbraw/zinc/46/87/77/1021468777.db2.gz POPBMPYCKINZDS-RHSMWYFYSA-N 1 2 349.438 3.700 20 30 EHEDLO C=CC[N@@H+](CCCCCS(=O)(=O)CC)Cc1ccc(Cl)s1 ZINC000276489804 1021473210 /nfs/dbraw/zinc/47/32/10/1021473210.db2.gz QLIRDJACSWJLRH-UHFFFAOYSA-N 1 2 349.949 3.995 20 30 EHEDLO C=CC[N@H+](CCCCCS(=O)(=O)CC)Cc1ccc(Cl)s1 ZINC000276489804 1021473216 /nfs/dbraw/zinc/47/32/16/1021473216.db2.gz QLIRDJACSWJLRH-UHFFFAOYSA-N 1 2 349.949 3.995 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(OC(F)F)c1 ZINC000437423103 1021816374 /nfs/dbraw/zinc/81/63/74/1021816374.db2.gz DKSRAOFCNXFTDJ-GFCCVEGCSA-N 1 2 334.288 3.934 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(OC(F)F)c1 ZINC000437423103 1021816388 /nfs/dbraw/zinc/81/63/88/1021816388.db2.gz DKSRAOFCNXFTDJ-GFCCVEGCSA-N 1 2 334.288 3.934 20 30 EHEDLO O[C@@H]([C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1)C(F)(F)F ZINC000449673513 1033015429 /nfs/dbraw/zinc/01/54/29/1033015429.db2.gz OZLRPNMPDPZABI-PELKAZGASA-N 1 2 345.258 3.590 20 30 EHEDLO O[C@@H]([C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1)C(F)(F)F ZINC000449673513 1033015443 /nfs/dbraw/zinc/01/54/43/1033015443.db2.gz OZLRPNMPDPZABI-PELKAZGASA-N 1 2 345.258 3.590 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1Cc1cc(O)c(OC)cc1Br ZINC000426561755 1021927046 /nfs/dbraw/zinc/92/70/46/1021927046.db2.gz XMIYOJNVQDONOL-LBPRGKRZSA-N 1 2 326.234 3.704 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1cc(O)c(OC)cc1Br ZINC000426561755 1021927055 /nfs/dbraw/zinc/92/70/55/1021927055.db2.gz XMIYOJNVQDONOL-LBPRGKRZSA-N 1 2 326.234 3.704 20 30 EHEDLO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000018936099 1022048758 /nfs/dbraw/zinc/04/87/58/1022048758.db2.gz YNCDWPUAPIOJAX-UHFFFAOYSA-N 1 2 333.844 3.734 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000018936099 1022048780 /nfs/dbraw/zinc/04/87/80/1022048780.db2.gz YNCDWPUAPIOJAX-UHFFFAOYSA-N 1 2 333.844 3.734 20 30 EHEDLO CCCCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1OCC ZINC000897633044 1033029049 /nfs/dbraw/zinc/02/90/49/1033029049.db2.gz VIMHAFBSKXOOFT-UHFFFAOYSA-N 1 2 345.468 3.882 20 30 EHEDLO C=CCCCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000473663848 1022415481 /nfs/dbraw/zinc/41/54/81/1022415481.db2.gz RXMMLIOKAGNVKG-MRXNPFEDSA-N 1 2 331.460 3.558 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCC(=O)[C@@H](C)C3)n2)CC1 ZINC000328932832 1022549777 /nfs/dbraw/zinc/54/97/77/1022549777.db2.gz PIPCIOSXNXXIDY-KBPBESRZSA-N 1 2 349.500 3.968 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(Br)cc1 ZINC000894667576 1022683116 /nfs/dbraw/zinc/68/31/16/1022683116.db2.gz HVIGZYSXLQUOBQ-QGZVFWFLSA-N 1 2 344.256 3.835 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000330868234 1022691047 /nfs/dbraw/zinc/69/10/47/1022691047.db2.gz YKKWAKVMFZAXNQ-OUJBWJOFSA-N 1 2 326.227 3.602 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441440066 1022803284 /nfs/dbraw/zinc/80/32/84/1022803284.db2.gz VFVVHHMLTIHRNG-UWJYYQICSA-N 1 2 344.499 3.720 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441440066 1022803297 /nfs/dbraw/zinc/80/32/97/1022803297.db2.gz VFVVHHMLTIHRNG-UWJYYQICSA-N 1 2 344.499 3.720 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000598423160 1033190912 /nfs/dbraw/zinc/19/09/12/1033190912.db2.gz KTOFECSJKGQGQI-CALCHBBNSA-N 1 2 341.480 3.586 20 30 EHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC(F)(F)C1 ZINC000329810201 1024206252 /nfs/dbraw/zinc/20/62/52/1024206252.db2.gz MMBVNZRQGQAAIS-UHFFFAOYSA-N 1 2 346.381 3.773 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329835748 1024215405 /nfs/dbraw/zinc/21/54/05/1024215405.db2.gz UYERMJKQQFLKFK-RCCFBDPRSA-N 1 2 342.487 3.654 20 30 EHEDLO CCS[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329959848 1024264573 /nfs/dbraw/zinc/26/45/73/1024264573.db2.gz QTOMBFVLMJBTGE-USXIJHARSA-N 1 2 349.500 3.513 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(C)c1 ZINC000330100821 1024318923 /nfs/dbraw/zinc/31/89/23/1024318923.db2.gz FCYOVHZRDYEABV-UWVAXJGDSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(C)c1 ZINC000330100821 1024318941 /nfs/dbraw/zinc/31/89/41/1024318941.db2.gz FCYOVHZRDYEABV-UWVAXJGDSA-N 1 2 346.471 3.550 20 30 EHEDLO O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330180294 1024344442 /nfs/dbraw/zinc/34/44/42/1024344442.db2.gz FXRBUHRALHPSNQ-CYBMUJFWSA-N 1 2 340.418 3.719 20 30 EHEDLO O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330180294 1024344461 /nfs/dbraw/zinc/34/44/61/1024344461.db2.gz FXRBUHRALHPSNQ-CYBMUJFWSA-N 1 2 340.418 3.719 20 30 EHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000330201554 1024353760 /nfs/dbraw/zinc/35/37/60/1024353760.db2.gz XYPNVFLEGDWOSE-FJIDUMEYSA-N 1 2 330.476 3.539 20 30 EHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000330221995 1024359618 /nfs/dbraw/zinc/35/96/18/1024359618.db2.gz RLHRIOABLSAJIH-MANSERQUSA-N 1 2 344.503 3.929 20 30 EHEDLO C=CC[N@@H+](CCC#N)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000430099607 1024366677 /nfs/dbraw/zinc/36/66/77/1024366677.db2.gz KPYPNBZVEGQNAP-UHFFFAOYSA-N 1 2 334.345 3.793 20 30 EHEDLO C=CC[N@H+](CCC#N)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000430099607 1024366695 /nfs/dbraw/zinc/36/66/95/1024366695.db2.gz KPYPNBZVEGQNAP-UHFFFAOYSA-N 1 2 334.345 3.793 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(C(=O)NC)c1 ZINC000113928656 1024491147 /nfs/dbraw/zinc/49/11/47/1024491147.db2.gz SQUKRDIANKLRHR-UHFFFAOYSA-N 1 2 334.872 3.949 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(C(=O)NC)c1 ZINC000113928656 1024491152 /nfs/dbraw/zinc/49/11/52/1024491152.db2.gz SQUKRDIANKLRHR-UHFFFAOYSA-N 1 2 334.872 3.949 20 30 EHEDLO CC#CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190783899 1024527908 /nfs/dbraw/zinc/52/79/08/1024527908.db2.gz KZASJXYSIADZGC-AWEZNQCLSA-N 1 2 346.228 3.659 20 30 EHEDLO CC#CC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000190783899 1024527912 /nfs/dbraw/zinc/52/79/12/1024527912.db2.gz KZASJXYSIADZGC-AWEZNQCLSA-N 1 2 346.228 3.659 20 30 EHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000665392162 1024541148 /nfs/dbraw/zinc/54/11/48/1024541148.db2.gz UBLGNULMDLIEMD-XWTMOSNGSA-N 1 2 330.476 3.611 20 30 EHEDLO CC(C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(F)cc1 ZINC000173322946 1033234218 /nfs/dbraw/zinc/23/42/18/1033234218.db2.gz IOYLWTXDBFZDKQ-UHFFFAOYSA-N 1 2 336.370 3.772 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000425368088 1024883825 /nfs/dbraw/zinc/88/38/25/1024883825.db2.gz VQIPVGWBUIZGOZ-QZTJIDSGSA-N 1 2 330.790 3.659 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000425368088 1024883834 /nfs/dbraw/zinc/88/38/34/1024883834.db2.gz VQIPVGWBUIZGOZ-QZTJIDSGSA-N 1 2 330.790 3.659 20 30 EHEDLO C=CCC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000895835790 1024901816 /nfs/dbraw/zinc/90/18/16/1024901816.db2.gz PGFVLMDDNVQOJX-UHFFFAOYSA-N 1 2 330.255 3.905 20 30 EHEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(CCOC)c1C)Cc1ccccc1 ZINC000444054579 1025211716 /nfs/dbraw/zinc/21/17/16/1025211716.db2.gz FKUOSPLYMHIRNV-UHFFFAOYSA-N 1 2 340.467 3.622 20 30 EHEDLO C=CC[N@H+](CC(=O)c1cc(C)n(CCOC)c1C)Cc1ccccc1 ZINC000444054579 1025211723 /nfs/dbraw/zinc/21/17/23/1025211723.db2.gz FKUOSPLYMHIRNV-UHFFFAOYSA-N 1 2 340.467 3.622 20 30 EHEDLO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000329216294 1025670752 /nfs/dbraw/zinc/67/07/52/1025670752.db2.gz OGBMQCQMYHWBJJ-BLLLJJGKSA-N 1 2 345.830 3.969 20 30 EHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCCC12CCCC2 ZINC000329632268 1026125598 /nfs/dbraw/zinc/12/55/98/1026125598.db2.gz RSMDZZYHKZAOGB-KRWDZBQOSA-N 1 2 344.503 3.769 20 30 EHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000342532410 1026133416 /nfs/dbraw/zinc/13/34/16/1026133416.db2.gz ACDCWYUZXBDZJS-ZDUSSCGKSA-N 1 2 344.821 3.629 20 30 EHEDLO CC(C)(C#N)CCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000277636542 1026405969 /nfs/dbraw/zinc/40/59/69/1026405969.db2.gz HFLLWCBXAHKION-GOSISDBHSA-N 1 2 328.456 3.680 20 30 EHEDLO CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000277636542 1026405975 /nfs/dbraw/zinc/40/59/75/1026405975.db2.gz HFLLWCBXAHKION-GOSISDBHSA-N 1 2 328.456 3.680 20 30 EHEDLO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2cccc(F)c2)no1 ZINC000237561126 1027191607 /nfs/dbraw/zinc/19/16/07/1027191607.db2.gz BJJFSPWVXFUDSC-JTQLQIEISA-N 1 2 328.372 3.660 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(F)cc(F)c2)c(C#N)c1C ZINC000444692495 1028165660 /nfs/dbraw/zinc/16/56/60/1028165660.db2.gz MLDBGEZADHGPOJ-NSHDSACASA-N 1 2 347.365 3.505 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2)c(C#N)c1C ZINC000444692495 1028165667 /nfs/dbraw/zinc/16/56/67/1028165667.db2.gz MLDBGEZADHGPOJ-NSHDSACASA-N 1 2 347.365 3.505 20 30 EHEDLO Cc1ccccc1[C@@H]([C@H](C)NCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000421399119 1028345453 /nfs/dbraw/zinc/34/54/53/1028345453.db2.gz SYWHNIYJEAQUQR-MGPUTAFESA-N 1 2 325.431 3.787 20 30 EHEDLO C[C@H](C#N)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000068886808 1028411166 /nfs/dbraw/zinc/41/11/66/1028411166.db2.gz YTGWPZUJDULJNV-MNOVXSKESA-N 1 2 335.864 3.547 20 30 EHEDLO CC[C@@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1ccc(C#N)cc1 ZINC000424324555 1028970308 /nfs/dbraw/zinc/97/03/08/1028970308.db2.gz KEGWUIXMWAMYEX-BXUZGUMPSA-N 1 2 329.425 3.603 20 30 EHEDLO C=CC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000454521370 1029010757 /nfs/dbraw/zinc/01/07/57/1029010757.db2.gz YIKLNVGDNJIUKR-HZPDHXFCSA-N 1 2 345.487 3.630 20 30 EHEDLO C[C@@H](C#N)C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000533139119 1029371824 /nfs/dbraw/zinc/37/18/24/1029371824.db2.gz LRVWEAKGEDOOJV-LBPRGKRZSA-N 1 2 330.819 3.557 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000533139119 1029371830 /nfs/dbraw/zinc/37/18/30/1029371830.db2.gz LRVWEAKGEDOOJV-LBPRGKRZSA-N 1 2 330.819 3.557 20 30 EHEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272472049 1029472146 /nfs/dbraw/zinc/47/21/46/1029472146.db2.gz ADOCYUDLAKZXBH-GFCCVEGCSA-N 1 2 339.361 3.658 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](Cc2cccs2)C2CC2)c1C#N ZINC000535980058 1029472894 /nfs/dbraw/zinc/47/28/94/1029472894.db2.gz FVEISADJAUYWCR-UHFFFAOYSA-N 1 2 326.421 3.571 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](Cc2cccs2)C2CC2)c1C#N ZINC000535980058 1029472906 /nfs/dbraw/zinc/47/29/06/1029472906.db2.gz FVEISADJAUYWCR-UHFFFAOYSA-N 1 2 326.421 3.571 20 30 EHEDLO CC[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000272477088 1029474846 /nfs/dbraw/zinc/47/48/46/1029474846.db2.gz AOERZDMHRPDYGM-INIZCTEOSA-N 1 2 333.863 3.533 20 30 EHEDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1cccc(C#N)c1 ZINC000026324365 1029643118 /nfs/dbraw/zinc/64/31/18/1029643118.db2.gz KPYXHRAWHKZRIU-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1cccc(C#N)c1 ZINC000026324365 1029643137 /nfs/dbraw/zinc/64/31/37/1029643137.db2.gz KPYXHRAWHKZRIU-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000052276103 1029660777 /nfs/dbraw/zinc/66/07/77/1029660777.db2.gz IBCPPRQALBAAPS-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000052276103 1029660782 /nfs/dbraw/zinc/66/07/82/1029660782.db2.gz IBCPPRQALBAAPS-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO COc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446916742 1029853043 /nfs/dbraw/zinc/85/30/43/1029853043.db2.gz PZDAHSCPMAOPAZ-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2cccnc2OC2CCCC2)c(F)c1 ZINC000343269864 1030026551 /nfs/dbraw/zinc/02/65/51/1030026551.db2.gz CIWLGWZMXCVIEX-UHFFFAOYSA-N 1 2 325.387 3.704 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361604798 1030219762 /nfs/dbraw/zinc/21/97/62/1030219762.db2.gz VMUILTLPGRKEOB-INIZCTEOSA-N 1 2 340.492 3.975 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361604798 1030219782 /nfs/dbraw/zinc/21/97/82/1030219782.db2.gz VMUILTLPGRKEOB-INIZCTEOSA-N 1 2 340.492 3.975 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000093091503 1030558931 /nfs/dbraw/zinc/55/89/31/1030558931.db2.gz VNRXUCCTDQVSCR-UHFFFAOYSA-N 1 2 344.409 3.893 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000093091503 1030558938 /nfs/dbraw/zinc/55/89/38/1030558938.db2.gz VNRXUCCTDQVSCR-UHFFFAOYSA-N 1 2 344.409 3.893 20 30 EHEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000347556470 1030644412 /nfs/dbraw/zinc/64/44/12/1030644412.db2.gz MNWHSYJSPHQFEE-HNNXBMFYSA-N 1 2 343.452 3.650 20 30 EHEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000347556470 1030644424 /nfs/dbraw/zinc/64/44/24/1030644424.db2.gz MNWHSYJSPHQFEE-HNNXBMFYSA-N 1 2 343.452 3.650 20 30 EHEDLO C=CCC[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000160382868 1030719391 /nfs/dbraw/zinc/71/93/91/1030719391.db2.gz OFVAAUYRMJANOE-SFHVURJKSA-N 1 2 326.444 3.622 20 30 EHEDLO Fc1ccc(C#CC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000448261940 1030904108 /nfs/dbraw/zinc/90/41/08/1030904108.db2.gz SMKIYUNCBSDJNY-UHFFFAOYSA-N 1 2 340.417 3.524 20 30 EHEDLO Fc1ccc(C#CC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000448261940 1030904124 /nfs/dbraw/zinc/90/41/24/1030904124.db2.gz SMKIYUNCBSDJNY-UHFFFAOYSA-N 1 2 340.417 3.524 20 30 EHEDLO O=C(C[N@@H+]1CCCc2occc2C1)N[C@H]1CCOc2ccccc21 ZINC000329508598 1030977022 /nfs/dbraw/zinc/97/70/22/1030977022.db2.gz AYHJSUPOGJQTGC-INIZCTEOSA-N 1 2 326.396 3.508 20 30 EHEDLO O=C(C[N@H+]1CCCc2occc2C1)N[C@H]1CCOc2ccccc21 ZINC000329508598 1030977035 /nfs/dbraw/zinc/97/70/35/1030977035.db2.gz AYHJSUPOGJQTGC-INIZCTEOSA-N 1 2 326.396 3.508 20 30 EHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1F ZINC000483524096 1031210020 /nfs/dbraw/zinc/21/00/20/1031210020.db2.gz BSMPUQGGRDRJHG-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO Cc1nc(F)ccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000278519306 1031220918 /nfs/dbraw/zinc/22/09/18/1031220918.db2.gz XUZBJPIJUGDNLW-UHFFFAOYSA-N 1 2 330.247 3.846 20 30 EHEDLO Cc1nc(F)ccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000278519306 1031220935 /nfs/dbraw/zinc/22/09/35/1031220935.db2.gz XUZBJPIJUGDNLW-UHFFFAOYSA-N 1 2 330.247 3.846 20 30 EHEDLO N#Cc1cccc(C[N@@H+]2CCc3cc(Br)ccc3C2)c1 ZINC000483641188 1031252830 /nfs/dbraw/zinc/25/28/30/1031252830.db2.gz SUPYNSDHWOJOGZ-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1cccc(C[N@H+]2CCc3cc(Br)ccc3C2)c1 ZINC000483641188 1031252844 /nfs/dbraw/zinc/25/28/44/1031252844.db2.gz SUPYNSDHWOJOGZ-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO C=CCN(CCc1ccccc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117633533 1031785348 /nfs/dbraw/zinc/78/53/48/1031785348.db2.gz NAKATXDDGUTCBV-UHFFFAOYSA-N 1 2 331.419 3.743 20 30 EHEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC000898106805 1033352905 /nfs/dbraw/zinc/35/29/05/1033352905.db2.gz BDXNYNTVLMXZPB-MLGOLLRUSA-N 1 2 332.398 3.706 20 30 EHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000063508013 1033422057 /nfs/dbraw/zinc/42/20/57/1033422057.db2.gz QJAUMNIWNREZKE-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595608914 1033921394 /nfs/dbraw/zinc/92/13/94/1033921394.db2.gz BRZZNNBMNBIVTD-LBPRGKRZSA-N 1 2 346.427 3.953 20 30 EHEDLO COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595608914 1033921404 /nfs/dbraw/zinc/92/14/04/1033921404.db2.gz BRZZNNBMNBIVTD-LBPRGKRZSA-N 1 2 346.427 3.953 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccncc1Br ZINC000599439663 1033928709 /nfs/dbraw/zinc/92/87/09/1033928709.db2.gz AVECWXVSRPSDLY-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1Br ZINC000599439663 1033928719 /nfs/dbraw/zinc/92/87/19/1033928719.db2.gz AVECWXVSRPSDLY-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450400615 1034269426 /nfs/dbraw/zinc/26/94/26/1034269426.db2.gz GSLBQLSRQRFXSS-JKSUJKDBSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450400615 1034269448 /nfs/dbraw/zinc/26/94/48/1034269448.db2.gz GSLBQLSRQRFXSS-JKSUJKDBSA-N 1 2 338.854 3.943 20 30 EHEDLO N#Cc1c(NC(=O)CCCn2cc[nH+]c2)sc2c1CCCCCC2 ZINC000604528512 1034414230 /nfs/dbraw/zinc/41/42/30/1034414230.db2.gz JJYFMMUULHCQLK-UHFFFAOYSA-N 1 2 342.468 3.894 20 30 EHEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231190 1034613925 /nfs/dbraw/zinc/61/39/25/1034613925.db2.gz WZLLHPJYPHEQAJ-IBGZPJMESA-N 1 2 342.874 3.937 20 30 EHEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231190 1034613931 /nfs/dbraw/zinc/61/39/31/1034613931.db2.gz WZLLHPJYPHEQAJ-IBGZPJMESA-N 1 2 342.874 3.937 20 30 EHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597514071 1034791375 /nfs/dbraw/zinc/79/13/75/1034791375.db2.gz LWRQSDHUUOJLEM-INIZCTEOSA-N 1 2 345.512 3.817 20 30 EHEDLO N#Cc1cccc(/C=C\c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000612938478 1035308497 /nfs/dbraw/zinc/30/84/97/1035308497.db2.gz LPMZWCQANJMACH-FPLPWBNLSA-N 1 2 339.358 3.964 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463482080 1035549386 /nfs/dbraw/zinc/54/93/86/1035549386.db2.gz ROKMLCPMRWBHPG-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463482080 1035549395 /nfs/dbraw/zinc/54/93/95/1035549395.db2.gz ROKMLCPMRWBHPG-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO COc1ccc(Br)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000535072203 1035994139 /nfs/dbraw/zinc/99/41/39/1035994139.db2.gz HBYCYZWROFVRCI-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1ccc(Br)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000535072203 1035994145 /nfs/dbraw/zinc/99/41/45/1035994145.db2.gz HBYCYZWROFVRCI-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000491308050 1036020060 /nfs/dbraw/zinc/02/00/60/1036020060.db2.gz SGCVYESWPLQFKZ-OAHLLOKOSA-N 1 2 330.771 3.721 20 30 EHEDLO Cc1ccnc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1C#N ZINC000541273917 1036147409 /nfs/dbraw/zinc/14/74/09/1036147409.db2.gz PDWIJWFKYQJDJK-OAHLLOKOSA-N 1 2 340.858 3.798 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000610432547 1036700379 /nfs/dbraw/zinc/70/03/79/1036700379.db2.gz AVBYTKXZYKKXJU-IBGZPJMESA-N 1 2 325.843 3.722 20 30 EHEDLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000590026387 1036710080 /nfs/dbraw/zinc/71/00/80/1036710080.db2.gz NDLJHTKZRADHMA-HNNXBMFYSA-N 1 2 328.460 3.515 20 30 EHEDLO CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000590026387 1036710100 /nfs/dbraw/zinc/71/01/00/1036710100.db2.gz NDLJHTKZRADHMA-HNNXBMFYSA-N 1 2 328.460 3.515 20 30 EHEDLO C[C@@H](CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000572964789 1036909503 /nfs/dbraw/zinc/90/95/03/1036909503.db2.gz ZBYDPGSTNOSRPT-GXFFZTMASA-N 1 2 337.210 3.522 20 30 EHEDLO N#CCCCCCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000590766874 1037029292 /nfs/dbraw/zinc/02/92/92/1037029292.db2.gz QBBVWRRISQPUDZ-UHFFFAOYSA-N 1 2 330.819 3.616 20 30 EHEDLO C[C@H]1Cc2c(C#N)c(NC(=O)CCCn3cc[nH+]c3)sc2[C@@H](C)C1 ZINC000590999745 1037181749 /nfs/dbraw/zinc/18/17/49/1037181749.db2.gz BZEWRWUTJJRHFQ-OLZOCXBDSA-N 1 2 342.468 3.921 20 30 EHEDLO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(F)c1 ZINC000542319365 1037298414 /nfs/dbraw/zinc/29/84/14/1037298414.db2.gz GPZDMJJLZKGBAD-UHFFFAOYSA-N 1 2 337.398 3.609 20 30 EHEDLO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(F)c1 ZINC000542319365 1037298426 /nfs/dbraw/zinc/29/84/26/1037298426.db2.gz GPZDMJJLZKGBAD-UHFFFAOYSA-N 1 2 337.398 3.609 20 30 EHEDLO COc1ccc(C[NH2+][C@H](C)c2cscn2)cc1OCCCC#N ZINC000573104114 1037307751 /nfs/dbraw/zinc/30/77/51/1037307751.db2.gz LOHXQVZOUQYLRL-CYBMUJFWSA-N 1 2 331.441 3.685 20 30 EHEDLO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000157318733 1037425755 /nfs/dbraw/zinc/42/57/55/1037425755.db2.gz FOBUUPJXQNZAIE-RUDMXATFSA-N 1 2 349.346 3.691 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000491656600 1037607169 /nfs/dbraw/zinc/60/71/69/1037607169.db2.gz JFJAVGCUELWGJK-AWEZNQCLSA-N 1 2 349.837 3.518 20 30 EHEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000491656600 1037607181 /nfs/dbraw/zinc/60/71/81/1037607181.db2.gz JFJAVGCUELWGJK-AWEZNQCLSA-N 1 2 349.837 3.518 20 30 EHEDLO C#C[C@@H](CCC)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000491689188 1037621656 /nfs/dbraw/zinc/62/16/56/1037621656.db2.gz HFXHJEJCSPCDQP-INIZCTEOSA-N 1 2 334.423 3.525 20 30 EHEDLO CC(C)([NH2+]Cc1ccncc1C#N)c1ccccc1Br ZINC000592100700 1037824180 /nfs/dbraw/zinc/82/41/80/1037824180.db2.gz ZUWWAKAWFSRNEN-UHFFFAOYSA-N 1 2 330.229 3.741 20 30 EHEDLO N#Cc1cnccc1C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000592086564 1037830179 /nfs/dbraw/zinc/83/01/79/1037830179.db2.gz LEQWJGHUAUCZPN-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000592158391 1037899699 /nfs/dbraw/zinc/89/96/99/1037899699.db2.gz CDZSDFNSZAVKRT-UHFFFAOYSA-N 1 2 332.419 3.641 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000461405452 1038401609 /nfs/dbraw/zinc/40/16/09/1038401609.db2.gz IGGFGHDFQJYRRZ-UHFFFAOYSA-N 1 2 331.419 3.998 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000489514771 1040053497 /nfs/dbraw/zinc/05/34/97/1040053497.db2.gz QQEXYGGMXDXZDR-KRWDZBQOSA-N 1 2 341.480 3.865 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000489514771 1040053517 /nfs/dbraw/zinc/05/35/17/1040053517.db2.gz QQEXYGGMXDXZDR-KRWDZBQOSA-N 1 2 341.480 3.865 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000249474197 1040220075 /nfs/dbraw/zinc/22/00/75/1040220075.db2.gz VCDAADHQTZNIEL-XYPHTWIQSA-N 1 2 330.428 3.626 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)o1 ZINC000249474197 1040220097 /nfs/dbraw/zinc/22/00/97/1040220097.db2.gz VCDAADHQTZNIEL-XYPHTWIQSA-N 1 2 330.428 3.626 20 30 EHEDLO CC(C)([NH2+]Cc1ccc(Cl)cc1C#N)C(=O)Nc1ccccc1 ZINC000614175962 1040376579 /nfs/dbraw/zinc/37/65/79/1040376579.db2.gz XBAAVQFNXWGHPO-UHFFFAOYSA-N 1 2 327.815 3.719 20 30 EHEDLO Cn1cc(Br)c(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433018778 1040464775 /nfs/dbraw/zinc/46/47/75/1040464775.db2.gz GEMKZFNFAXOQAZ-OAHLLOKOSA-N 1 2 347.260 3.707 20 30 EHEDLO CCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1nnc2ccccn21 ZINC000512672057 1040480607 /nfs/dbraw/zinc/48/06/07/1040480607.db2.gz IMOBKEJUXFDHMX-CXAGYDPISA-N 1 2 337.402 3.932 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2cccs2)c(C#N)c1C ZINC000249343607 1040866262 /nfs/dbraw/zinc/86/62/62/1040866262.db2.gz TUFVTICLJDJEHA-DOMZBBRYSA-N 1 2 343.452 3.994 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2cccs2)c(C#N)c1C ZINC000249343607 1040866280 /nfs/dbraw/zinc/86/62/80/1040866280.db2.gz TUFVTICLJDJEHA-DOMZBBRYSA-N 1 2 343.452 3.994 20 30 EHEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000128488693 1041819295 /nfs/dbraw/zinc/81/92/95/1041819295.db2.gz JIFXFGQBUBIGBH-LLVKDONJSA-N 1 2 331.803 3.572 20 30 EHEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000128488693 1041819303 /nfs/dbraw/zinc/81/93/03/1041819303.db2.gz JIFXFGQBUBIGBH-LLVKDONJSA-N 1 2 331.803 3.572 20 30 EHEDLO C=C[C@H](CO)[NH2+][C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000662168288 1042559392 /nfs/dbraw/zinc/55/93/92/1042559392.db2.gz AGPXOTZRBQZRNB-MWLCHTKSSA-N 1 2 327.211 3.846 20 30 EHEDLO N#Cc1c(NC2CCN(c3cccc[nH+]3)CC2)cccc1C(F)F ZINC000569743956 1043015983 /nfs/dbraw/zinc/01/59/83/1043015983.db2.gz HKXWPFQRWYIOTA-UHFFFAOYSA-N 1 2 328.366 3.972 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)cc2c1OCC2 ZINC000512209405 1044162861 /nfs/dbraw/zinc/16/28/61/1044162861.db2.gz APGMYJOWBXMOKN-UHFFFAOYSA-N 1 2 347.842 3.939 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)cc2c1OCC2 ZINC000512209405 1044162873 /nfs/dbraw/zinc/16/28/73/1044162873.db2.gz APGMYJOWBXMOKN-UHFFFAOYSA-N 1 2 347.842 3.939 20 30 EHEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc(C(C)C)s2)ccc1OC ZINC000344643492 1044218810 /nfs/dbraw/zinc/21/88/10/1044218810.db2.gz VWVNEJKWCALMIG-UHFFFAOYSA-N 1 2 347.484 3.915 20 30 EHEDLO C=CCOc1ccccc1C[NH+]1CCN([C@H](C)c2nccs2)CC1 ZINC000344767803 1044399874 /nfs/dbraw/zinc/39/98/74/1044399874.db2.gz ZXSXWNWUMMRRFJ-MRXNPFEDSA-N 1 2 343.496 3.587 20 30 EHEDLO O=C(CCCn1cc[nH+]c1)Nc1cccc(C#Cc2cccs2)c1 ZINC000623250608 1126905651 /nfs/dbraw/zinc/90/56/51/1126905651.db2.gz VYHOEMNNKJHEBV-UHFFFAOYSA-N 1 2 335.432 3.763 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180592016 1127175355 /nfs/dbraw/zinc/17/53/55/1127175355.db2.gz GOGSAEBTURLZOR-CQSZACIVSA-N 1 2 330.407 3.555 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CCCC)C2CC2)c1=S ZINC000764882799 1127548052 /nfs/dbraw/zinc/54/80/52/1127548052.db2.gz NRIBASOKFZGYOS-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CCCC)C2CC2)c1=S ZINC000764882799 1127548055 /nfs/dbraw/zinc/54/80/55/1127548055.db2.gz NRIBASOKFZGYOS-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO CCOc1ccc(O)c(/C=[NH+]\CCc2nc3c(s2)CCCC3)c1 ZINC000765501829 1127625303 /nfs/dbraw/zinc/62/53/03/1127625303.db2.gz XVZBAXGZRHMCJN-UNOMPAQXSA-N 1 2 330.453 3.788 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nc2ccccc2nc1C ZINC000352865159 1128455563 /nfs/dbraw/zinc/45/55/63/1128455563.db2.gz AUNDMZHBPJVKIT-UHFFFAOYSA-N 1 2 337.423 3.602 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nc2ccccc2nc1C ZINC000352865159 1128455566 /nfs/dbraw/zinc/45/55/66/1128455566.db2.gz AUNDMZHBPJVKIT-UHFFFAOYSA-N 1 2 337.423 3.602 20 30 EHEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929232197 1128566585 /nfs/dbraw/zinc/56/65/85/1128566585.db2.gz PUSORJJVQGBPNP-UHFFFAOYSA-N 1 2 341.842 3.845 20 30 EHEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929232197 1128566589 /nfs/dbraw/zinc/56/65/89/1128566589.db2.gz PUSORJJVQGBPNP-UHFFFAOYSA-N 1 2 341.842 3.845 20 30 EHEDLO Cc1cc(C)c2ncc(C#N)c(N[C@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000301787560 1128605871 /nfs/dbraw/zinc/60/58/71/1128605871.db2.gz XBYKTGQOJRJRPX-KRWDZBQOSA-N 1 2 343.434 3.809 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCc3ccccc3Cl)CCO2)c1 ZINC000761757441 1120884536 /nfs/dbraw/zinc/88/45/36/1120884536.db2.gz KMZGDSSOBULQSL-LJQANCHMSA-N 1 2 326.827 3.828 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCc3ccccc3Cl)CCO2)c1 ZINC000761757441 1120884539 /nfs/dbraw/zinc/88/45/39/1120884539.db2.gz KMZGDSSOBULQSL-LJQANCHMSA-N 1 2 326.827 3.828 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209607 1121253361 /nfs/dbraw/zinc/25/33/61/1121253361.db2.gz PSNLZIODPOCGQV-AWEZNQCLSA-N 1 2 331.489 3.596 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915209607 1121253365 /nfs/dbraw/zinc/25/33/65/1121253365.db2.gz PSNLZIODPOCGQV-AWEZNQCLSA-N 1 2 331.489 3.596 20 30 EHEDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(C#N)s1 ZINC000496771994 1122180743 /nfs/dbraw/zinc/18/07/43/1122180743.db2.gz DTYICJSDLBYOPC-UHFFFAOYSA-N 1 2 344.440 3.652 20 30 EHEDLO C=CCN(C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000916708442 1122326958 /nfs/dbraw/zinc/32/69/58/1122326958.db2.gz AATUORSLARKNNY-IRXDYDNUSA-N 1 2 345.487 3.724 20 30 EHEDLO CC(C)(C)OC(=O)N=c1[nH]cc(C=[NH+]n2cnc3ccccc32)s1 ZINC000497102593 1122336071 /nfs/dbraw/zinc/33/60/71/1122336071.db2.gz OQCCIVNRKZGTPW-UHFFFAOYSA-N 1 2 343.412 3.722 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)CCC(C)C)c1=S ZINC000154674081 1122778404 /nfs/dbraw/zinc/77/84/04/1122778404.db2.gz XDEAXYAHMDGBNI-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)CCC(C)C)c1=S ZINC000154674081 1122778405 /nfs/dbraw/zinc/77/84/05/1122778405.db2.gz XDEAXYAHMDGBNI-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=C[C@H](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000133703553 1123419652 /nfs/dbraw/zinc/41/96/52/1123419652.db2.gz XVIVGFZBRBDVAC-HXUWFJFHSA-N 1 2 345.446 3.908 20 30 EHEDLO COCC[N@H+](CCC#N)Cc1cccc2c(Br)cccc12 ZINC000617538332 1124645307 /nfs/dbraw/zinc/64/53/07/1124645307.db2.gz MUMQHJYZJZVRTQ-UHFFFAOYSA-N 1 2 347.256 3.964 20 30 EHEDLO COCC[N@@H+](CCC#N)Cc1cccc2c(Br)cccc12 ZINC000617538332 1124645309 /nfs/dbraw/zinc/64/53/09/1124645309.db2.gz MUMQHJYZJZVRTQ-UHFFFAOYSA-N 1 2 347.256 3.964 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000466442681 1129448601 /nfs/dbraw/zinc/44/86/01/1129448601.db2.gz WKTJQONMCULNDH-PKOBYXMFSA-N 1 2 325.456 3.960 20 30 EHEDLO OC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000499948127 1129587648 /nfs/dbraw/zinc/58/76/48/1129587648.db2.gz OMHQKKUSOKZQFF-MRXNPFEDSA-N 1 2 338.209 3.807 20 30 EHEDLO C=CCCCCCCCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001273089682 1129769641 /nfs/dbraw/zinc/76/96/41/1129769641.db2.gz XNPTWVMDNPISQX-UHFFFAOYSA-N 1 2 329.488 3.576 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000353957606 1129928585 /nfs/dbraw/zinc/92/85/85/1129928585.db2.gz QTXJWDMSPMKKPN-DLBZAZTESA-N 1 2 348.372 3.717 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000353957606 1129928586 /nfs/dbraw/zinc/92/85/86/1129928586.db2.gz QTXJWDMSPMKKPN-DLBZAZTESA-N 1 2 348.372 3.717 20 30 EHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(CC#N)cc3)n2)c1 ZINC000543546223 1129958487 /nfs/dbraw/zinc/95/84/87/1129958487.db2.gz KZQIPTPQGYTMSG-CQSZACIVSA-N 1 2 348.406 3.662 20 30 EHEDLO N#Cc1ccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000171291884 1130042855 /nfs/dbraw/zinc/04/28/55/1130042855.db2.gz MOMFBZGNPIVBIQ-UHFFFAOYSA-N 1 2 336.782 3.579 20 30 EHEDLO C=CC1CC[NH+](Cn2[nH]c(/C=C/c3ccc(C)o3)nc2=S)CC1 ZINC000732181183 1130895231 /nfs/dbraw/zinc/89/52/31/1130895231.db2.gz MOXYOQIJWXQPIX-VOTSOKGWSA-N 1 2 330.457 3.868 20 30 EHEDLO Cn1ncc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C(F)(F)F ZINC000347996092 1131114045 /nfs/dbraw/zinc/11/40/45/1131114045.db2.gz QZYUBOFRNORBKS-UHFFFAOYSA-N 1 2 346.356 3.600 20 30 EHEDLO Cn1ncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C(F)(F)F ZINC000347996092 1131114047 /nfs/dbraw/zinc/11/40/47/1131114047.db2.gz QZYUBOFRNORBKS-UHFFFAOYSA-N 1 2 346.356 3.600 20 30 EHEDLO C=CCCCCC[N@@H+](C)Cn1c2cc(C)nn2c2ccccc2c1=O ZINC000739887635 1131512783 /nfs/dbraw/zinc/51/27/83/1131512783.db2.gz WELNGFFRFINGRQ-UHFFFAOYSA-N 1 2 338.455 3.593 20 30 EHEDLO C=CCCCCC[N@H+](C)Cn1c2cc(C)nn2c2ccccc2c1=O ZINC000739887635 1131512786 /nfs/dbraw/zinc/51/27/86/1131512786.db2.gz WELNGFFRFINGRQ-UHFFFAOYSA-N 1 2 338.455 3.593 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743349392 1131907059 /nfs/dbraw/zinc/90/70/59/1131907059.db2.gz SQLBBBNEKALOSK-SFHVURJKSA-N 1 2 339.826 3.575 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743349392 1131907062 /nfs/dbraw/zinc/90/70/62/1131907062.db2.gz SQLBBBNEKALOSK-SFHVURJKSA-N 1 2 339.826 3.575 20 30 EHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](C)CC(C)C)c1=S ZINC000744151982 1132032767 /nfs/dbraw/zinc/03/27/67/1132032767.db2.gz PWXFENFNMWKANF-UHFFFAOYSA-N 1 2 346.500 3.821 20 30 EHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000744151982 1132032774 /nfs/dbraw/zinc/03/27/74/1132032774.db2.gz PWXFENFNMWKANF-UHFFFAOYSA-N 1 2 346.500 3.821 20 30 EHEDLO C=C(C)Nc1c[nH+]cc(F)c1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001174789835 1132463179 /nfs/dbraw/zinc/46/31/79/1132463179.db2.gz FEUKVOBYKQHBGA-UHFFFAOYSA-N 1 2 335.423 3.724 20 30 EHEDLO CCNc1nc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC001174984883 1132536306 /nfs/dbraw/zinc/53/63/06/1132536306.db2.gz UAYXWGYYJSNBLI-UHFFFAOYSA-N 1 2 341.484 3.523 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000768919637 1133202792 /nfs/dbraw/zinc/20/27/92/1133202792.db2.gz VHVNZJGBJIZSCV-KRWDZBQOSA-N 1 2 346.434 3.795 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000768919637 1133202797 /nfs/dbraw/zinc/20/27/97/1133202797.db2.gz VHVNZJGBJIZSCV-KRWDZBQOSA-N 1 2 346.434 3.795 20 30 EHEDLO C#CCOc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000769393951 1133285562 /nfs/dbraw/zinc/28/55/62/1133285562.db2.gz GROULLTUTSASME-UHFFFAOYSA-N 1 2 326.465 3.666 20 30 EHEDLO C#CCOc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000769393951 1133285567 /nfs/dbraw/zinc/28/55/67/1133285567.db2.gz GROULLTUTSASME-UHFFFAOYSA-N 1 2 326.465 3.666 20 30 EHEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)c(Cl)c1 ZINC000769922269 1133360799 /nfs/dbraw/zinc/36/07/99/1133360799.db2.gz ZUBRYLOFOCOSKM-GFCCVEGCSA-N 1 2 344.673 3.527 20 30 EHEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000770354365 1133420608 /nfs/dbraw/zinc/42/06/08/1133420608.db2.gz FXFXLTXSZJSWEW-UHFFFAOYSA-N 1 2 341.405 3.873 20 30 EHEDLO CN(CCC#N)c1ccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000770354365 1133420610 /nfs/dbraw/zinc/42/06/10/1133420610.db2.gz FXFXLTXSZJSWEW-UHFFFAOYSA-N 1 2 341.405 3.873 20 30 EHEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)CC1(C#N)CCCCC1 ZINC001181355576 1133480837 /nfs/dbraw/zinc/48/08/37/1133480837.db2.gz YQASJRRHMGTJGE-UHFFFAOYSA-N 1 2 336.439 3.695 20 30 EHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000771996934 1133625835 /nfs/dbraw/zinc/62/58/35/1133625835.db2.gz ZGQGQDBRXZYMPJ-UHFFFAOYSA-N 1 2 347.374 3.713 20 30 EHEDLO C=CC(C)(C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001184238304 1133913887 /nfs/dbraw/zinc/91/38/87/1133913887.db2.gz AQHWCVKSRWFKKA-UHFFFAOYSA-N 1 2 349.066 3.971 20 30 EHEDLO COc1ncc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1Cl ZINC000789156704 1134231502 /nfs/dbraw/zinc/23/15/02/1134231502.db2.gz RRSYHSBHOMHWNG-AATRIKPKSA-N 1 2 327.771 3.596 20 30 EHEDLO CN(C)c1[nH+]ccc2cc(NC(=O)c3sccc3CC#N)ccc21 ZINC001273543941 1134357349 /nfs/dbraw/zinc/35/73/49/1134357349.db2.gz NOHIBYCIQBQOIV-UHFFFAOYSA-N 1 2 336.420 3.681 20 30 EHEDLO Cc1c(F)cccc1NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001189022404 1134533797 /nfs/dbraw/zinc/53/37/97/1134533797.db2.gz ZJKJQOCWJLDRHQ-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO Cc1c(F)cccc1NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001189022404 1134533803 /nfs/dbraw/zinc/53/38/03/1134533803.db2.gz ZJKJQOCWJLDRHQ-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO CCc1cn(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)c[nH+]1 ZINC001190102813 1134655757 /nfs/dbraw/zinc/65/57/57/1134655757.db2.gz DBNQGTYUVQOWAL-UHFFFAOYSA-N 1 2 347.418 3.953 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cccc(C(F)(F)F)n1 ZINC000792635616 1134755153 /nfs/dbraw/zinc/75/51/53/1134755153.db2.gz HPDODTNESXOENT-UHFFFAOYSA-N 1 2 334.345 3.904 20 30 EHEDLO CCCCCCCNC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001191084261 1134798673 /nfs/dbraw/zinc/79/86/73/1134798673.db2.gz GYYOGXOIZPSIHR-UHFFFAOYSA-N 1 2 334.489 3.700 20 30 EHEDLO CCCCCCCNC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001191084261 1134798678 /nfs/dbraw/zinc/79/86/78/1134798678.db2.gz GYYOGXOIZPSIHR-UHFFFAOYSA-N 1 2 334.489 3.700 20 30 EHEDLO Brc1ccc2[nH+]ccn2c1NCC#Cc1ccccc1 ZINC001170429967 1134905072 /nfs/dbraw/zinc/90/50/72/1134905072.db2.gz UQOYHVZBWJILFU-UHFFFAOYSA-N 1 2 326.197 3.560 20 30 EHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC001192262352 1134989755 /nfs/dbraw/zinc/98/97/55/1134989755.db2.gz VGQMAAORVORBAF-FQEVSTJZSA-N 1 2 338.838 3.886 20 30 EHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC001192262352 1134989761 /nfs/dbraw/zinc/98/97/61/1134989761.db2.gz VGQMAAORVORBAF-FQEVSTJZSA-N 1 2 338.838 3.886 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000805748026 1135317809 /nfs/dbraw/zinc/31/78/09/1135317809.db2.gz LEUHYGOGVWUQOT-QGZVFWFLSA-N 1 2 327.815 3.974 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000805748026 1135317812 /nfs/dbraw/zinc/31/78/12/1135317812.db2.gz LEUHYGOGVWUQOT-QGZVFWFLSA-N 1 2 327.815 3.974 20 30 EHEDLO C=CCCCCCCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000807570313 1135552927 /nfs/dbraw/zinc/55/29/27/1135552927.db2.gz QCLILJULWQHWDK-UHFFFAOYSA-N 1 2 333.476 3.985 20 30 EHEDLO C=C[C@@](C)(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180698 1135576422 /nfs/dbraw/zinc/57/64/22/1135576422.db2.gz FZFISZWONKQICE-PXNSSMCTSA-N 1 2 341.455 3.805 20 30 EHEDLO C=C[C@@](C)(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180698 1135576426 /nfs/dbraw/zinc/57/64/26/1135576426.db2.gz FZFISZWONKQICE-PXNSSMCTSA-N 1 2 341.455 3.805 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808140053 1135622600 /nfs/dbraw/zinc/62/26/00/1135622600.db2.gz XFFJOJWDRRJUKP-LJQANCHMSA-N 1 2 335.451 3.637 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808140053 1135622601 /nfs/dbraw/zinc/62/26/01/1135622601.db2.gz XFFJOJWDRRJUKP-LJQANCHMSA-N 1 2 335.451 3.637 20 30 EHEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cc2cnccc2o1 ZINC001197229234 1135662159 /nfs/dbraw/zinc/66/21/59/1135662159.db2.gz CYQPKZGTKUGQFR-LBPRGKRZSA-N 1 2 345.362 3.600 20 30 EHEDLO Cc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1C#N ZINC000809403514 1135836626 /nfs/dbraw/zinc/83/66/26/1135836626.db2.gz IKADPDWUDSUMNP-UHFFFAOYSA-N 1 2 327.347 3.769 20 30 EHEDLO C#Cc1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000809604986 1135856500 /nfs/dbraw/zinc/85/65/00/1135856500.db2.gz WRUDKBWYLPMHMQ-IBGZPJMESA-N 1 2 335.838 3.934 20 30 EHEDLO C#C[C@@H](NCc1c[nH+]c2ccc(C)cn12)c1ccc(Cl)cc1F ZINC000809698615 1135868499 /nfs/dbraw/zinc/86/84/99/1135868499.db2.gz DNGDLUQFVJQIDS-QGZVFWFLSA-N 1 2 327.790 3.899 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000810094397 1135921198 /nfs/dbraw/zinc/92/11/98/1135921198.db2.gz NPCCVAVICLWGNG-QZTJIDSGSA-N 1 2 346.858 3.776 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000810094397 1135921200 /nfs/dbraw/zinc/92/12/00/1135921200.db2.gz NPCCVAVICLWGNG-QZTJIDSGSA-N 1 2 346.858 3.776 20 30 EHEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3c(F)cccc3F)sc2C1 ZINC001202033642 1136090010 /nfs/dbraw/zinc/09/00/10/1136090010.db2.gz YMBKFZRDENCDJO-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3c(F)cccc3F)sc2C1 ZINC001202033642 1136090012 /nfs/dbraw/zinc/09/00/12/1136090012.db2.gz YMBKFZRDENCDJO-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(Br)nc3)n2c1 ZINC000811695788 1136126193 /nfs/dbraw/zinc/12/61/93/1136126193.db2.gz DVZRDOTULQQFIM-SNAWJCMRSA-N 1 2 342.196 3.696 20 30 EHEDLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc(C)c1C#N ZINC001133033500 1136146329 /nfs/dbraw/zinc/14/63/29/1136146329.db2.gz ZZDKOWLUPCRJJE-FQEVSTJZSA-N 1 2 344.418 3.543 20 30 EHEDLO CC(C)[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000338918095 1136165308 /nfs/dbraw/zinc/16/53/08/1136165308.db2.gz SDNTXGQSMUTSIU-UHFFFAOYSA-N 1 2 331.423 3.550 20 30 EHEDLO CC(C)[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000338918095 1136165311 /nfs/dbraw/zinc/16/53/11/1136165311.db2.gz SDNTXGQSMUTSIU-UHFFFAOYSA-N 1 2 331.423 3.550 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cc([N+](=O)[O-])ccc3F)n21 ZINC000814190456 1136415624 /nfs/dbraw/zinc/41/56/24/1136415624.db2.gz GUPSJPVEKWGTRI-VURMDHGXSA-N 1 2 325.299 3.586 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000852328381 1136448904 /nfs/dbraw/zinc/44/89/04/1136448904.db2.gz DBTIUCPGGILSMR-LJQANCHMSA-N 1 2 343.377 3.740 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000852328381 1136448905 /nfs/dbraw/zinc/44/89/05/1136448905.db2.gz DBTIUCPGGILSMR-LJQANCHMSA-N 1 2 343.377 3.740 20 30 EHEDLO CC(=[NH+]Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N ZINC000814796359 1136505692 /nfs/dbraw/zinc/50/56/92/1136505692.db2.gz VLQOTBCXYGNRPQ-UHFFFAOYSA-N 1 2 349.188 3.776 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccnc1OCC(F)F ZINC000853463768 1136534645 /nfs/dbraw/zinc/53/46/45/1136534645.db2.gz DTHPAMGVCCAATM-UHFFFAOYSA-N 1 2 347.365 3.525 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)C1 ZINC000853537535 1136542156 /nfs/dbraw/zinc/54/21/56/1136542156.db2.gz ZGEWNPXFQBKLGJ-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)C1 ZINC000853537535 1136542159 /nfs/dbraw/zinc/54/21/59/1136542159.db2.gz ZGEWNPXFQBKLGJ-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815145646 1136562292 /nfs/dbraw/zinc/56/22/92/1136562292.db2.gz AZVHYRJYLBQSNN-INIZCTEOSA-N 1 2 342.361 3.521 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000815145646 1136562295 /nfs/dbraw/zinc/56/22/95/1136562295.db2.gz AZVHYRJYLBQSNN-INIZCTEOSA-N 1 2 342.361 3.521 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)c(C#N)c1C ZINC000857200396 1136852448 /nfs/dbraw/zinc/85/24/48/1136852448.db2.gz ILNJJWORLULSDG-OCCSQVGLSA-N 1 2 337.423 3.714 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)c(C#N)c1C ZINC000857200396 1136852450 /nfs/dbraw/zinc/85/24/50/1136852450.db2.gz ILNJJWORLULSDG-OCCSQVGLSA-N 1 2 337.423 3.714 20 30 EHEDLO N#Cc1ccc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000339012024 1136977802 /nfs/dbraw/zinc/97/78/02/1136977802.db2.gz FTXDJTAWWKKPMM-UHFFFAOYSA-N 1 2 348.494 3.568 20 30 EHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC001171019353 1137103007 /nfs/dbraw/zinc/10/30/07/1137103007.db2.gz VJBWCPWSKWNGQL-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC001171019353 1137103008 /nfs/dbraw/zinc/10/30/08/1137103008.db2.gz VJBWCPWSKWNGQL-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO CN(C)c1ccc(C=[NH+]Nc2ccnc(F)c2)c(C(F)(F)F)c1 ZINC000794531267 1137185783 /nfs/dbraw/zinc/18/57/83/1137185783.db2.gz SSELOKJVSVQBIO-UHFFFAOYSA-N 1 2 326.297 3.752 20 30 EHEDLO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143725155 1137194170 /nfs/dbraw/zinc/19/41/70/1137194170.db2.gz WXONTZPTJQAGIW-DNVCBOLYSA-N 1 2 348.874 3.619 20 30 EHEDLO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143725155 1137194172 /nfs/dbraw/zinc/19/41/72/1137194172.db2.gz WXONTZPTJQAGIW-DNVCBOLYSA-N 1 2 348.874 3.619 20 30 EHEDLO CCC[N@H+](CCC#N)Cc1cnc(-c2ccc(OC)c(OC)c2)s1 ZINC001144064860 1137234076 /nfs/dbraw/zinc/23/40/76/1137234076.db2.gz VRDBQEQGDSBMGB-UHFFFAOYSA-N 1 2 345.468 3.953 20 30 EHEDLO CCC[N@@H+](CCC#N)Cc1cnc(-c2ccc(OC)c(OC)c2)s1 ZINC001144064860 1137234077 /nfs/dbraw/zinc/23/40/77/1137234077.db2.gz VRDBQEQGDSBMGB-UHFFFAOYSA-N 1 2 345.468 3.953 20 30 EHEDLO O=C(C=Cc1cc(-n2cc[nH+]c2)cs1)c1ccc2[nH]c(=O)oc2c1 ZINC000794716859 1137243080 /nfs/dbraw/zinc/24/30/80/1137243080.db2.gz WNQBQZBHYJHJHN-RQOWECAXSA-N 1 2 337.360 3.677 20 30 EHEDLO C=C(Cc1ccccc1)C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001144395818 1137284562 /nfs/dbraw/zinc/28/45/62/1137284562.db2.gz POTQTXXDZMHWAC-UHFFFAOYSA-N 1 2 331.419 3.630 20 30 EHEDLO C#C[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000845601033 1137300388 /nfs/dbraw/zinc/30/03/88/1137300388.db2.gz MEHMXRCYKIJQHU-DOMZBBRYSA-N 1 2 336.313 3.771 20 30 EHEDLO Oc1cc(F)c(C[NH+]2CCC(C#Cc3ccccc3)CC2)c(F)c1 ZINC001144560947 1137309863 /nfs/dbraw/zinc/30/98/63/1137309863.db2.gz CTPBSVAEOLVHHS-UHFFFAOYSA-N 1 2 327.374 3.934 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc(Br)cnc2Cl)CCCC1 ZINC000846011813 1137325702 /nfs/dbraw/zinc/32/57/02/1137325702.db2.gz ZYATXJDVNIUCLP-UHFFFAOYSA-N 1 2 328.641 3.671 20 30 EHEDLO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1cccc(C#N)c1O ZINC000866231003 1137336915 /nfs/dbraw/zinc/33/69/15/1137336915.db2.gz LGGREUZDEZDYFF-INIZCTEOSA-N 1 2 336.435 3.663 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866297646 1137343448 /nfs/dbraw/zinc/34/34/48/1137343448.db2.gz LEIBLBPCGXUYDD-YOEHRIQHSA-N 1 2 335.407 3.796 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866298353 1137343553 /nfs/dbraw/zinc/34/35/53/1137343553.db2.gz YBWKHLDMPXDYIN-BPAFIMBUSA-N 1 2 340.398 3.929 20 30 EHEDLO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3cccc(C#N)c3O)c21 ZINC000866336302 1137347034 /nfs/dbraw/zinc/34/70/34/1137347034.db2.gz JMOKKTUFAQHSBP-ZDUSSCGKSA-N 1 2 335.407 3.647 20 30 EHEDLO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1O ZINC000866404023 1137352327 /nfs/dbraw/zinc/35/23/27/1137352327.db2.gz NQQHSAMEAYSZLD-JPJOULJCSA-N 1 2 344.361 3.723 20 30 EHEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000867628350 1137382989 /nfs/dbraw/zinc/38/29/89/1137382989.db2.gz YJXIXFKRMXHPQT-UHFFFAOYSA-N 1 2 349.843 3.602 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000847028342 1137383421 /nfs/dbraw/zinc/38/34/21/1137383421.db2.gz FMNDVOPJMXYSGD-NWDGAFQWSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000847028342 1137383423 /nfs/dbraw/zinc/38/34/23/1137383423.db2.gz FMNDVOPJMXYSGD-NWDGAFQWSA-N 1 2 325.239 3.666 20 30 EHEDLO N#Cc1ccc(OCCNc2cc[nH+]c3[nH]cc(C(F)(F)F)c32)cc1 ZINC001171484766 1137491053 /nfs/dbraw/zinc/49/10/53/1137491053.db2.gz XPXWJOIVGMLQEZ-UHFFFAOYSA-N 1 2 346.312 3.944 20 30 EHEDLO CC(C)C[C@](C)(C#N)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171884810 1137516881 /nfs/dbraw/zinc/51/68/81/1137516881.db2.gz BIUBFSKAJAHZIC-AZUAARDMSA-N 1 2 327.472 3.599 20 30 EHEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877594110 1137682333 /nfs/dbraw/zinc/68/23/33/1137682333.db2.gz BUDLBMIWJABWQA-OCCSQVGLSA-N 1 2 349.862 3.549 20 30 EHEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877594110 1137682334 /nfs/dbraw/zinc/68/23/34/1137682334.db2.gz BUDLBMIWJABWQA-OCCSQVGLSA-N 1 2 349.862 3.549 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000877671536 1137685166 /nfs/dbraw/zinc/68/51/66/1137685166.db2.gz KDTXPVTURUNZLJ-MCIGGMRASA-N 1 2 327.774 3.771 20 30 EHEDLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]CCCC(C)(C)C#N ZINC000879172324 1137739972 /nfs/dbraw/zinc/73/99/72/1137739972.db2.gz ZENDQVDOMSJATN-KRWDZBQOSA-N 1 2 330.472 3.859 20 30 EHEDLO C=C(C)COc1cc(C[NH2+]C2(c3ncccn3)CCC2)ccc1OC ZINC000883307467 1137853669 /nfs/dbraw/zinc/85/36/69/1137853669.db2.gz UTDDODMCPHNUOO-UHFFFAOYSA-N 1 2 339.439 3.609 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883593572 1137864951 /nfs/dbraw/zinc/86/49/51/1137864951.db2.gz MBPQMWITDVUREZ-WMZOPIPTSA-N 1 2 326.444 3.668 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883593569 1137865018 /nfs/dbraw/zinc/86/50/18/1137865018.db2.gz MBPQMWITDVUREZ-AEFFLSMTSA-N 1 2 326.444 3.668 20 30 EHEDLO C=CCOc1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000105017891 1137879942 /nfs/dbraw/zinc/87/99/42/1137879942.db2.gz CCFXRDQPWBNLRT-UHFFFAOYSA-N 1 2 340.427 3.660 20 30 EHEDLO COc1cc(C(=O)/C=C/c2c[nH+]c3ccccn23)ccc1OC(F)F ZINC000133173897 1137880190 /nfs/dbraw/zinc/88/01/90/1137880190.db2.gz ATSLQDZXQXLAQS-VOTSOKGWSA-N 1 2 344.317 3.840 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC=C(C)CC2)c1C#N ZINC000331628145 1137915063 /nfs/dbraw/zinc/91/50/63/1137915063.db2.gz PVHFSISMCWCSAU-UHFFFAOYSA-N 1 2 340.471 3.682 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC=C(C)CC2)c1C#N ZINC000331628145 1137915064 /nfs/dbraw/zinc/91/50/64/1137915064.db2.gz PVHFSISMCWCSAU-UHFFFAOYSA-N 1 2 340.471 3.682 20 30 EHEDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(C#N)o1)CC2 ZINC000120975402 1137954101 /nfs/dbraw/zinc/95/41/01/1137954101.db2.gz SFYDENHJVGMNEW-UHFFFAOYSA-N 1 2 326.396 3.507 20 30 EHEDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(C#N)o1)CC2 ZINC000120975402 1137954102 /nfs/dbraw/zinc/95/41/02/1137954102.db2.gz SFYDENHJVGMNEW-UHFFFAOYSA-N 1 2 326.396 3.507 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000121216348 1137956003 /nfs/dbraw/zinc/95/60/03/1137956003.db2.gz NNAWIEQSTWMOBH-FZKQIMNGSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000121216348 1137956004 /nfs/dbraw/zinc/95/60/04/1137956004.db2.gz NNAWIEQSTWMOBH-FZKQIMNGSA-N 1 2 328.437 3.590 20 30 EHEDLO C=C(Cl)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000066316851 1138075120 /nfs/dbraw/zinc/07/51/20/1138075120.db2.gz JJNHPBAVMRPBOZ-NSHDSACASA-N 1 2 340.855 3.874 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)nc3)CC2)cc1 ZINC000264119963 1138423246 /nfs/dbraw/zinc/42/32/46/1138423246.db2.gz LYVGGMQTWSYGNW-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000337821104 1138676218 /nfs/dbraw/zinc/67/62/18/1138676218.db2.gz QUMFXZDDFVRDME-MRXNPFEDSA-N 1 2 349.434 3.512 20 30 EHEDLO C#CC[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000888030194 1139049526 /nfs/dbraw/zinc/04/95/26/1139049526.db2.gz YZMLFBLCWNTHGC-INIZCTEOSA-N 1 2 348.450 3.764 20 30 EHEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]1c1cccc(F)c1 ZINC000175151506 1139468307 /nfs/dbraw/zinc/46/83/07/1139468307.db2.gz WILOIMFGNRNKDL-PXAZEXFGSA-N 1 2 343.427 3.780 20 30 EHEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]1c1cccc(F)c1 ZINC000175151506 1139468309 /nfs/dbraw/zinc/46/83/09/1139468309.db2.gz WILOIMFGNRNKDL-PXAZEXFGSA-N 1 2 343.427 3.780 20 30 EHEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1cccs1 ZINC000185619906 1140159401 /nfs/dbraw/zinc/15/94/01/1140159401.db2.gz GMRSJMFHKMXPAY-UHFFFAOYSA-N 1 2 331.470 3.572 20 30 EHEDLO C=CCOc1ccc(C[N@@H+](Cc2ncnn2CC)C(C)(C)C)cc1 ZINC000193396955 1140574806 /nfs/dbraw/zinc/57/48/06/1140574806.db2.gz MCSKBLJEHJNSSK-UHFFFAOYSA-N 1 2 328.460 3.664 20 30 EHEDLO C=CCOc1ccc(C[N@H+](Cc2ncnn2CC)C(C)(C)C)cc1 ZINC000193396955 1140574811 /nfs/dbraw/zinc/57/48/11/1140574811.db2.gz MCSKBLJEHJNSSK-UHFFFAOYSA-N 1 2 328.460 3.664 20 30 EHEDLO Cn1cc(C[NH+]2CCC(F)(C#N)CC2)c(-c2ccccc2Cl)n1 ZINC000348712719 1141569512 /nfs/dbraw/zinc/56/95/12/1141569512.db2.gz JIAFEGYOPRKHGT-UHFFFAOYSA-N 1 2 332.810 3.568 20 30 EHEDLO C[C@@H]1CCN(c2cccc(Br)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000367956752 524525925 /nfs/dbraw/zinc/52/59/25/524525925.db2.gz NUIOMXTUKNVRNQ-MLGOLLRUSA-N 1 2 345.244 3.605 20 30 EHEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccc(C)cc2)CC1 ZINC001165036146 721872963 /nfs/dbraw/zinc/87/29/63/721872963.db2.gz ZJNPLPZSXOLEGP-UHFFFAOYSA-N 1 2 344.846 3.539 20 30 EHEDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000175264651 1014233557 /nfs/dbraw/zinc/23/35/57/1014233557.db2.gz IFIKXBBOLGDRHF-MNOVXSKESA-N 1 2 348.859 3.654 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000343736959 1032109116 /nfs/dbraw/zinc/10/91/16/1032109116.db2.gz SANYTUYHWAAPFX-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000343736959 1032109123 /nfs/dbraw/zinc/10/91/23/1032109123.db2.gz SANYTUYHWAAPFX-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO C[C@@]1(c2ccc(F)cc2)CN(c2[nH+]ccc3ccc(C#N)cc32)CCO1 ZINC001167137889 1016269219 /nfs/dbraw/zinc/26/92/19/1016269219.db2.gz AAJUTUOSCFJKDA-NRFANRHFSA-N 1 2 347.393 3.998 20 30 EHEDLO N#Cc1ccc2ncc(C[NH+]3CC(Cc4ccccc4Cl)C3)n2c1 ZINC000459557558 1032275443 /nfs/dbraw/zinc/27/54/43/1032275443.db2.gz HAJIPFZCFZNGJQ-UHFFFAOYSA-N 1 2 336.826 3.534 20 30 EHEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000377222483 1017481208 /nfs/dbraw/zinc/48/12/08/1017481208.db2.gz HNZUNKSFBBEHCU-APWZRJJASA-N 1 2 338.455 3.921 20 30 EHEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000377222483 1017481214 /nfs/dbraw/zinc/48/12/14/1017481214.db2.gz HNZUNKSFBBEHCU-APWZRJJASA-N 1 2 338.455 3.921 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)c(C#N)c1C ZINC000177149173 1017602511 /nfs/dbraw/zinc/60/25/11/1017602511.db2.gz YGVUJMJLJLVUTE-CYBMUJFWSA-N 1 2 339.464 3.794 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C)c(C#N)c1C ZINC000177149173 1017602518 /nfs/dbraw/zinc/60/25/18/1017602518.db2.gz YGVUJMJLJLVUTE-CYBMUJFWSA-N 1 2 339.464 3.794 20 30 EHEDLO CN(c1ccccc1)c1ccc(CNc2cc(CC#N)cc[nH+]2)cn1 ZINC000580031288 1018232266 /nfs/dbraw/zinc/23/22/66/1018232266.db2.gz UGNWDLCSKCBGSF-UHFFFAOYSA-N 1 2 329.407 3.923 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2cccnc2)no1 ZINC000177695485 1018531731 /nfs/dbraw/zinc/53/17/31/1018531731.db2.gz WQOWWKIWMBAPBR-HNNXBMFYSA-N 1 2 339.424 3.552 20 30 EHEDLO Cc1ccc(-c2nnc([C@H](C)O[NH+]=C(N)Cc3ccccc3)o2)cc1 ZINC000178307879 1018550465 /nfs/dbraw/zinc/55/04/65/1018550465.db2.gz DNNLYTRAPGWKLL-AWEZNQCLSA-N 1 2 336.395 3.638 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1ccc(OC)cc1 ZINC000614352528 1018773893 /nfs/dbraw/zinc/77/38/93/1018773893.db2.gz GFMIUACRGXICEZ-UHFFFAOYSA-N 1 2 342.414 3.769 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1ccc(OC)cc1 ZINC000614352528 1018773928 /nfs/dbraw/zinc/77/39/28/1018773928.db2.gz GFMIUACRGXICEZ-UHFFFAOYSA-N 1 2 342.414 3.769 20 30 EHEDLO C=CC[C@H]1CCCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000597998135 1032821207 /nfs/dbraw/zinc/82/12/07/1032821207.db2.gz MGUSQDTWJAFSKE-INIZCTEOSA-N 1 2 343.496 3.691 20 30 EHEDLO Cc1ccc2cc(C[N@@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000897596088 1032888053 /nfs/dbraw/zinc/88/80/53/1032888053.db2.gz LTVWHDQHNKODER-OAQYLSRUSA-N 1 2 331.419 3.922 20 30 EHEDLO Cc1ccc2cc(C[N@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000897596088 1032888068 /nfs/dbraw/zinc/88/80/68/1032888068.db2.gz LTVWHDQHNKODER-OAQYLSRUSA-N 1 2 331.419 3.922 20 30 EHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(-c2cccc(Cl)c2)c1 ZINC000580948133 1020287746 /nfs/dbraw/zinc/28/77/46/1020287746.db2.gz BRQRVWGVWATKOQ-LJQANCHMSA-N 1 2 343.858 3.625 20 30 EHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(-c2cccc(Cl)c2)c1 ZINC000580948133 1020287757 /nfs/dbraw/zinc/28/77/57/1020287757.db2.gz BRQRVWGVWATKOQ-LJQANCHMSA-N 1 2 343.858 3.625 20 30 EHEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)CCCC2 ZINC000602481032 1032910309 /nfs/dbraw/zinc/91/03/09/1032910309.db2.gz DNNYTPYLLQNNPE-AZUAARDMSA-N 1 2 334.467 3.571 20 30 EHEDLO Cn1nc2c(c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)CCCC2 ZINC000602481032 1032910319 /nfs/dbraw/zinc/91/03/19/1032910319.db2.gz DNNYTPYLLQNNPE-AZUAARDMSA-N 1 2 334.467 3.571 20 30 EHEDLO C=CCN(CCC#N)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425679708 1021465574 /nfs/dbraw/zinc/46/55/74/1021465574.db2.gz YHXOHWFKGLHKJR-UHFFFAOYSA-N 1 2 349.438 3.820 20 30 EHEDLO CCc1ccc(CN2CC[NH+](Cc3ccc(CC#N)cc3)CC2)s1 ZINC000519672652 1021611252 /nfs/dbraw/zinc/61/12/52/1021611252.db2.gz WKVVCVIJAPNCAN-UHFFFAOYSA-N 1 2 339.508 3.694 20 30 EHEDLO C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH+]1CC1(C#N)CC1 ZINC000581749733 1021677068 /nfs/dbraw/zinc/67/70/68/1021677068.db2.gz FDJJHYGUEFMYLF-KBPBESRZSA-N 1 2 337.389 3.908 20 30 EHEDLO COC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(C)(C#N)CC1 ZINC000506018388 1021704707 /nfs/dbraw/zinc/70/47/07/1021704707.db2.gz UKRGJEBHDHPXRM-UHFFFAOYSA-N 1 2 346.427 3.953 20 30 EHEDLO N#Cc1ccc(Nc2cc[nH+]c3ccc(Br)cc23)c(N)c1 ZINC001213351412 1021835141 /nfs/dbraw/zinc/83/51/41/1021835141.db2.gz OLVYTZYSAWNIKF-UHFFFAOYSA-N 1 2 339.196 3.617 20 30 EHEDLO C=C(C)[C@@H]([NH2+]Cc1cc(C(=O)OCC)no1)c1ccc(F)c(F)c1 ZINC000602615793 1033010594 /nfs/dbraw/zinc/01/05/94/1033010594.db2.gz KCDCPELVXSZDIJ-MRXNPFEDSA-N 1 2 336.338 3.537 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CCCc3sccc3C2)c(C#N)c1C ZINC000610542981 1021909663 /nfs/dbraw/zinc/90/96/63/1021909663.db2.gz XFZKYTASQZLEHR-UHFFFAOYSA-N 1 2 345.493 3.685 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CCCc3sccc3C2)c(C#N)c1C ZINC000610542981 1021909669 /nfs/dbraw/zinc/90/96/69/1021909669.db2.gz XFZKYTASQZLEHR-UHFFFAOYSA-N 1 2 345.493 3.685 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000438194416 1022465207 /nfs/dbraw/zinc/46/52/07/1022465207.db2.gz XWZOENNUOOHMSU-IERDGZPVSA-N 1 2 336.435 3.837 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000438194416 1022465214 /nfs/dbraw/zinc/46/52/14/1022465214.db2.gz XWZOENNUOOHMSU-IERDGZPVSA-N 1 2 336.435 3.837 20 30 EHEDLO C[C@]1(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1(Cl)Cl ZINC000933627879 1022477382 /nfs/dbraw/zinc/47/73/82/1022477382.db2.gz GZZKWFQQKZQGFX-HUUCEWRRSA-N 1 2 325.239 3.515 20 30 EHEDLO C[C@]1(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1(Cl)Cl ZINC000933627879 1022477389 /nfs/dbraw/zinc/47/73/89/1022477389.db2.gz GZZKWFQQKZQGFX-HUUCEWRRSA-N 1 2 325.239 3.515 20 30 EHEDLO C=CCC(F)(F)c1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665000741 1022610012 /nfs/dbraw/zinc/61/00/12/1022610012.db2.gz OHZIIUMRQYJPGL-UKRRQHHQSA-N 1 2 349.381 3.700 20 30 EHEDLO C=CCC(F)(F)c1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665000741 1022610019 /nfs/dbraw/zinc/61/00/19/1022610019.db2.gz OHZIIUMRQYJPGL-UKRRQHHQSA-N 1 2 349.381 3.700 20 30 EHEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000330804183 1022679786 /nfs/dbraw/zinc/67/97/86/1022679786.db2.gz BJRXJVSYQKJSPI-QPUJVOFHSA-N 1 2 346.645 3.867 20 30 EHEDLO C=CCC(F)(F)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012281 1022714826 /nfs/dbraw/zinc/71/48/26/1022714826.db2.gz OHZIIUMRQYJPGL-HIFRSBDPSA-N 1 2 349.381 3.700 20 30 EHEDLO C=CCC(F)(F)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665012281 1022714841 /nfs/dbraw/zinc/71/48/41/1022714841.db2.gz OHZIIUMRQYJPGL-HIFRSBDPSA-N 1 2 349.381 3.700 20 30 EHEDLO CCc1cc(C)cc(CC)c1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331228668 1022762035 /nfs/dbraw/zinc/76/20/35/1022762035.db2.gz GQLKBRLIBCGJGS-UHFFFAOYSA-N 1 2 347.503 3.557 20 30 EHEDLO CCc1cc(C)cc(CC)c1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331228668 1022762049 /nfs/dbraw/zinc/76/20/49/1022762049.db2.gz GQLKBRLIBCGJGS-UHFFFAOYSA-N 1 2 347.503 3.557 20 30 EHEDLO CC[C@H](C)[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C(F)(F)F ZINC000331329921 1022788625 /nfs/dbraw/zinc/78/86/25/1022788625.db2.gz SKHJAVABXRIELH-XUXIUFHCSA-N 1 2 346.397 3.657 20 30 EHEDLO C[C@@H](NC(=O)C[N@H+](C)Cc1cc(C#N)cs1)c1ccccc1Cl ZINC000933780688 1022992711 /nfs/dbraw/zinc/99/27/11/1022992711.db2.gz UNJXLPFDWLXKCH-GFCCVEGCSA-N 1 2 347.871 3.582 20 30 EHEDLO C[C@@H](NC(=O)C[N@@H+](C)Cc1cc(C#N)cs1)c1ccccc1Cl ZINC000933780688 1022992726 /nfs/dbraw/zinc/99/27/26/1022992726.db2.gz UNJXLPFDWLXKCH-GFCCVEGCSA-N 1 2 347.871 3.582 20 30 EHEDLO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000135397149 1022997612 /nfs/dbraw/zinc/99/76/12/1022997612.db2.gz NAIWGQXPCLVPHX-UHFFFAOYSA-N 1 2 329.778 3.516 20 30 EHEDLO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000135397149 1022997626 /nfs/dbraw/zinc/99/76/26/1022997626.db2.gz NAIWGQXPCLVPHX-UHFFFAOYSA-N 1 2 329.778 3.516 20 30 EHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000426162857 1023021594 /nfs/dbraw/zinc/02/15/94/1023021594.db2.gz QRYRIMANKFEBMJ-LRDDRELGSA-N 1 2 343.818 3.523 20 30 EHEDLO N#Cc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(C2CC2)c1 ZINC000933846782 1023150527 /nfs/dbraw/zinc/15/05/27/1023150527.db2.gz ZFCPGVUIFNQEGP-UHFFFAOYSA-N 1 2 335.411 3.570 20 30 EHEDLO N#Cc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C2CC2)c1 ZINC000933846782 1023150533 /nfs/dbraw/zinc/15/05/33/1023150533.db2.gz ZFCPGVUIFNQEGP-UHFFFAOYSA-N 1 2 335.411 3.570 20 30 EHEDLO C=C1CC[NH+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC1 ZINC000341983903 1023733864 /nfs/dbraw/zinc/73/38/64/1023733864.db2.gz NLBIBQOJCCYZMS-UHFFFAOYSA-N 1 2 327.453 3.709 20 30 EHEDLO CO[C@](C)(C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000329751601 1024178801 /nfs/dbraw/zinc/17/88/01/1024178801.db2.gz VSIVGEPIOUVNPE-SJCJKPOMSA-N 1 2 337.489 3.778 20 30 EHEDLO CO[C@](C)(C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000329751601 1024178803 /nfs/dbraw/zinc/17/88/03/1024178803.db2.gz VSIVGEPIOUVNPE-SJCJKPOMSA-N 1 2 337.489 3.778 20 30 EHEDLO O=C(NC[C@H]1CCCCC(F)(F)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330206737 1024354728 /nfs/dbraw/zinc/35/47/28/1024354728.db2.gz FKLYMFRYPDYVGR-AWEZNQCLSA-N 1 2 340.418 3.650 20 30 EHEDLO [O-]C(=[NH+]C[C@H]1CCCCC(F)(F)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330206737 1024354744 /nfs/dbraw/zinc/35/47/44/1024354744.db2.gz FKLYMFRYPDYVGR-AWEZNQCLSA-N 1 2 340.418 3.650 20 30 EHEDLO C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330283436 1024385319 /nfs/dbraw/zinc/38/53/19/1024385319.db2.gz BJCRXNMVZOKDQW-DAYGRLMNSA-N 1 2 349.475 3.725 20 30 EHEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346202266 1024524929 /nfs/dbraw/zinc/52/49/29/1024524929.db2.gz YBPZBQHARCSTQI-MRXNPFEDSA-N 1 2 340.858 3.567 20 30 EHEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346202266 1024524943 /nfs/dbraw/zinc/52/49/43/1024524943.db2.gz YBPZBQHARCSTQI-MRXNPFEDSA-N 1 2 340.858 3.567 20 30 EHEDLO COc1ccccc1/C=C/C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000434990309 1024546650 /nfs/dbraw/zinc/54/66/50/1024546650.db2.gz GPWJTWUSRYTNOJ-FTUXVVSKSA-N 1 2 347.462 3.591 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000435026060 1024566574 /nfs/dbraw/zinc/56/65/74/1024566574.db2.gz GMCXJSWNOMZYIY-CZAAIQMYSA-N 1 2 348.446 3.898 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000435026060 1024566585 /nfs/dbraw/zinc/56/65/85/1024566585.db2.gz GMCXJSWNOMZYIY-CZAAIQMYSA-N 1 2 348.446 3.898 20 30 EHEDLO Cc1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cnc1F ZINC000892075815 1024581879 /nfs/dbraw/zinc/58/18/79/1024581879.db2.gz NUPNHUZSYMRZCF-UHFFFAOYSA-N 1 2 330.247 3.846 20 30 EHEDLO Cc1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cnc1F ZINC000892075815 1024581896 /nfs/dbraw/zinc/58/18/96/1024581896.db2.gz NUPNHUZSYMRZCF-UHFFFAOYSA-N 1 2 330.247 3.846 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000435056001 1024585654 /nfs/dbraw/zinc/58/56/54/1024585654.db2.gz DZLQWXZRLJPVPY-SFHVURJKSA-N 1 2 326.440 3.819 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000435056001 1024585657 /nfs/dbraw/zinc/58/56/57/1024585657.db2.gz DZLQWXZRLJPVPY-SFHVURJKSA-N 1 2 326.440 3.819 20 30 EHEDLO C[C@@H](C#N)CN(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000281041683 1024589042 /nfs/dbraw/zinc/58/90/42/1024589042.db2.gz QCRFJPOCBCCQOX-AWEZNQCLSA-N 1 2 337.427 3.510 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474252220 1024651188 /nfs/dbraw/zinc/65/11/88/1024651188.db2.gz QDORHKVNUGCIKJ-JFIYKMOQSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474252220 1024651194 /nfs/dbraw/zinc/65/11/94/1024651194.db2.gz QDORHKVNUGCIKJ-JFIYKMOQSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474252222 1024651801 /nfs/dbraw/zinc/65/18/01/1024651801.db2.gz QDORHKVNUGCIKJ-LZLYRXPVSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474252222 1024651810 /nfs/dbraw/zinc/65/18/10/1024651810.db2.gz QDORHKVNUGCIKJ-LZLYRXPVSA-N 1 2 338.854 3.943 20 30 EHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2sccc2C2CC2)CCO1 ZINC000330320171 1024778157 /nfs/dbraw/zinc/77/81/57/1024778157.db2.gz DXSBWGFNRGTOSH-DOMZBBRYSA-N 1 2 331.441 3.584 20 30 EHEDLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)[nH]1 ZINC000330327489 1024784049 /nfs/dbraw/zinc/78/40/49/1024784049.db2.gz KYONSNFULLQABF-AWEZNQCLSA-N 1 2 341.459 3.602 20 30 EHEDLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)[nH]1 ZINC000330327489 1024784054 /nfs/dbraw/zinc/78/40/54/1024784054.db2.gz KYONSNFULLQABF-AWEZNQCLSA-N 1 2 341.459 3.602 20 30 EHEDLO CC1(C)CCCc2cc(C#N)c(N[C@H]3CCN(c4cccc[nH+]4)C3)nc21 ZINC000428136797 1025003400 /nfs/dbraw/zinc/00/34/00/1025003400.db2.gz LNKFSVDUQWMXLK-KRWDZBQOSA-N 1 2 347.466 3.653 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1OC ZINC000897944763 1033253723 /nfs/dbraw/zinc/25/37/23/1033253723.db2.gz MEMDFFMCNWDAMH-UHFFFAOYSA-N 1 2 330.428 3.835 20 30 EHEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000582071149 1025173694 /nfs/dbraw/zinc/17/36/94/1025173694.db2.gz JGAHZFFODGDYAJ-BXUZGUMPSA-N 1 2 346.431 3.558 20 30 EHEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000346848182 1025218408 /nfs/dbraw/zinc/21/84/08/1025218408.db2.gz IKLVYDUWUWFJER-HNNXBMFYSA-N 1 2 340.858 3.798 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]CCCC(C)(C)C#N ZINC000602946212 1033273525 /nfs/dbraw/zinc/27/35/25/1033273525.db2.gz ZENDQVDOMSJATN-QGZVFWFLSA-N 1 2 330.472 3.859 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCCc2ccccc21)Cc1cccs1 ZINC000060942707 1033279112 /nfs/dbraw/zinc/27/91/12/1033279112.db2.gz SYQDGKYQSUEJPH-UHFFFAOYSA-N 1 2 326.465 3.716 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1cccs1 ZINC000060942707 1033279122 /nfs/dbraw/zinc/27/91/22/1033279122.db2.gz SYQDGKYQSUEJPH-UHFFFAOYSA-N 1 2 326.465 3.716 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551734686 1025433201 /nfs/dbraw/zinc/43/32/01/1025433201.db2.gz KIKYVJNOVXLVBS-UHFFFAOYSA-N 1 2 345.368 3.688 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551734686 1025433210 /nfs/dbraw/zinc/43/32/10/1025433210.db2.gz KIKYVJNOVXLVBS-UHFFFAOYSA-N 1 2 345.368 3.688 20 30 EHEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)s1 ZINC000425494365 1025476785 /nfs/dbraw/zinc/47/67/85/1025476785.db2.gz XHFQVLZOUXTULH-GFCCVEGCSA-N 1 2 343.452 3.582 20 30 EHEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000046518978 1033287312 /nfs/dbraw/zinc/28/73/12/1033287312.db2.gz HWPIHBOPXZZNTE-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000046518978 1033287324 /nfs/dbraw/zinc/28/73/24/1033287324.db2.gz HWPIHBOPXZZNTE-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329216295 1025671407 /nfs/dbraw/zinc/67/14/07/1025671407.db2.gz OGBMQCQMYHWBJJ-MLGOLLRUSA-N 1 2 345.830 3.969 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC3(C1)CCCCC3)C2 ZINC000329572045 1026023380 /nfs/dbraw/zinc/02/33/80/1026023380.db2.gz MXEFEACMEANCIT-HNNXBMFYSA-N 1 2 344.503 3.676 20 30 EHEDLO COc1cccc(C([NH2+]C[C@@H](C#N)CCC#N)c2cccc(OC)c2)c1 ZINC000582541235 1026521054 /nfs/dbraw/zinc/52/10/54/1026521054.db2.gz DUJQTAGUWIQCIV-MRXNPFEDSA-N 1 2 349.434 3.826 20 30 EHEDLO COc1cccc(C([NH2+]C[C@H](C#N)CCC#N)c2cccc(OC)c2)c1 ZINC000582541234 1026521451 /nfs/dbraw/zinc/52/14/51/1026521451.db2.gz DUJQTAGUWIQCIV-INIZCTEOSA-N 1 2 349.434 3.826 20 30 EHEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000897264262 1026605947 /nfs/dbraw/zinc/60/59/47/1026605947.db2.gz WXLCXLSCQOCORM-ROUUACIJSA-N 1 2 334.410 3.573 20 30 EHEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000897264262 1026605960 /nfs/dbraw/zinc/60/59/60/1026605960.db2.gz WXLCXLSCQOCORM-ROUUACIJSA-N 1 2 334.410 3.573 20 30 EHEDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046518906 1026974270 /nfs/dbraw/zinc/97/42/70/1026974270.db2.gz GGVGJWOGPFCINE-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046518906 1026974278 /nfs/dbraw/zinc/97/42/78/1026974278.db2.gz GGVGJWOGPFCINE-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nc(-c2cccc(F)c2)no1 ZINC000237477933 1027019657 /nfs/dbraw/zinc/01/96/57/1027019657.db2.gz AFXILHWGGSKGMT-SNVBAGLBSA-N 1 2 328.372 3.660 20 30 EHEDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075586829 1027175545 /nfs/dbraw/zinc/17/55/45/1027175545.db2.gz NFXSIILJAZYKDQ-ZDUSSCGKSA-N 1 2 336.370 3.940 20 30 EHEDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075586829 1027175559 /nfs/dbraw/zinc/17/55/59/1027175559.db2.gz NFXSIILJAZYKDQ-ZDUSSCGKSA-N 1 2 336.370 3.940 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Br)cc1C#N ZINC000314786316 1027674283 /nfs/dbraw/zinc/67/42/83/1027674283.db2.gz LPCMQEJQBSDFPJ-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Br)cc1C#N ZINC000314786316 1027674290 /nfs/dbraw/zinc/67/42/90/1027674290.db2.gz LPCMQEJQBSDFPJ-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO CC[N@H+](Cc1ncnn1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000282008181 1027723406 /nfs/dbraw/zinc/72/34/06/1027723406.db2.gz OEZFPOPHYQZLPM-INIZCTEOSA-N 1 2 331.423 3.722 20 30 EHEDLO CC[N@@H+](Cc1ncnn1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000282008181 1027723424 /nfs/dbraw/zinc/72/34/24/1027723424.db2.gz OEZFPOPHYQZLPM-INIZCTEOSA-N 1 2 331.423 3.722 20 30 EHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132938701 1027982658 /nfs/dbraw/zinc/98/26/58/1027982658.db2.gz STMFCMRWPIPRPS-GXTWGEPZSA-N 1 2 338.238 3.890 20 30 EHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132938701 1027982673 /nfs/dbraw/zinc/98/26/73/1027982673.db2.gz STMFCMRWPIPRPS-GXTWGEPZSA-N 1 2 338.238 3.890 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1cccc(C#N)c1 ZINC000195729221 1028309380 /nfs/dbraw/zinc/30/93/80/1028309380.db2.gz VOKSKRHNMVNFED-QGZVFWFLSA-N 1 2 345.446 3.524 20 30 EHEDLO C=CC[N@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1cccc(C#N)c1 ZINC000195729221 1028309396 /nfs/dbraw/zinc/30/93/96/1028309396.db2.gz VOKSKRHNMVNFED-QGZVFWFLSA-N 1 2 345.446 3.524 20 30 EHEDLO C=CCOc1cccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000056772820 1028341703 /nfs/dbraw/zinc/34/17/03/1028341703.db2.gz OTROARCSONCMFC-UHFFFAOYSA-N 1 2 348.406 3.759 20 30 EHEDLO Cc1cc(C)c(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccccc2)c(Cl)c1 ZINC000021387773 1028554809 /nfs/dbraw/zinc/55/48/09/1028554809.db2.gz BFULDGRDWIIZKA-CYBMUJFWSA-N 1 2 345.830 3.621 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000245730631 1029185899 /nfs/dbraw/zinc/18/58/99/1029185899.db2.gz JRBXCYMUVIOWHE-FOIQADDNSA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000245730631 1029185907 /nfs/dbraw/zinc/18/59/07/1029185907.db2.gz JRBXCYMUVIOWHE-FOIQADDNSA-N 1 2 340.398 3.690 20 30 EHEDLO CCCCCCCC[C@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001272149593 1029676138 /nfs/dbraw/zinc/67/61/38/1029676138.db2.gz UOXUGHJIOFWRKE-GBESFXJTSA-N 1 2 338.536 3.695 20 30 EHEDLO C=C(C)[C@@H](Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)OCC ZINC000273730507 1029826929 /nfs/dbraw/zinc/82/69/29/1029826929.db2.gz KQCNECBIDPUUKW-QGZVFWFLSA-N 1 2 338.411 3.505 20 30 EHEDLO CCOc1cc(C[N@H+](CC)CCC#N)cc(Br)c1OC ZINC000127638475 1029942867 /nfs/dbraw/zinc/94/28/67/1029942867.db2.gz FFOBJZYMFUAMRM-UHFFFAOYSA-N 1 2 341.249 3.592 20 30 EHEDLO CCOc1cc(C[N@@H+](CC)CCC#N)cc(Br)c1OC ZINC000127638475 1029942879 /nfs/dbraw/zinc/94/28/79/1029942879.db2.gz FFOBJZYMFUAMRM-UHFFFAOYSA-N 1 2 341.249 3.592 20 30 EHEDLO CC(C)Oc1cc(C[N@H+](Cc2ccc(C#N)s2)C2CC2)ccn1 ZINC000583638870 1030340517 /nfs/dbraw/zinc/34/05/17/1030340517.db2.gz MJFNNQQPRDQVKX-UHFFFAOYSA-N 1 2 327.453 3.967 20 30 EHEDLO CC(C)Oc1cc(C[N@@H+](Cc2ccc(C#N)s2)C2CC2)ccn1 ZINC000583638870 1030340535 /nfs/dbraw/zinc/34/05/35/1030340535.db2.gz MJFNNQQPRDQVKX-UHFFFAOYSA-N 1 2 327.453 3.967 20 30 EHEDLO CC(C)(C)[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000447839478 1030528694 /nfs/dbraw/zinc/52/86/94/1030528694.db2.gz KMHFOTQXSHGBFO-INIZCTEOSA-N 1 2 325.374 3.804 20 30 EHEDLO CC(C)(C)[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000447839478 1030528704 /nfs/dbraw/zinc/52/87/04/1030528704.db2.gz KMHFOTQXSHGBFO-INIZCTEOSA-N 1 2 325.374 3.804 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H](C3CC3)C1)C2 ZINC000329671945 1031726862 /nfs/dbraw/zinc/72/68/62/1031726862.db2.gz SIFKXFZSDJKFEX-CVEARBPZSA-N 1 2 344.503 3.531 20 30 EHEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180481967 1031880870 /nfs/dbraw/zinc/88/08/70/1031880870.db2.gz VZCXFRDMULUWDM-AEFFLSMTSA-N 1 2 336.838 3.534 20 30 EHEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180481967 1031880878 /nfs/dbraw/zinc/88/08/78/1031880878.db2.gz VZCXFRDMULUWDM-AEFFLSMTSA-N 1 2 336.838 3.534 20 30 EHEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C)c(C#N)c3)n2)c1 ZINC000599371743 1033891904 /nfs/dbraw/zinc/89/19/04/1033891904.db2.gz QGYZUFKYBZBKPL-AWEZNQCLSA-N 1 2 348.406 3.776 20 30 EHEDLO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](CC#N)C3)cs2)ccc1O ZINC000595619998 1033904350 /nfs/dbraw/zinc/90/43/50/1033904350.db2.gz IZEWVGDBQQTRQT-CYBMUJFWSA-N 1 2 343.452 3.650 20 30 EHEDLO COc1cc(-c2nc(C[N@H+]3CCC[C@H](CC#N)C3)cs2)ccc1O ZINC000595619998 1033904359 /nfs/dbraw/zinc/90/43/59/1033904359.db2.gz IZEWVGDBQQTRQT-CYBMUJFWSA-N 1 2 343.452 3.650 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612397 1033925002 /nfs/dbraw/zinc/92/50/02/1033925002.db2.gz WEIPWWPJWMJQAO-CHWSQXEVSA-N 1 2 339.361 3.658 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612397 1033925012 /nfs/dbraw/zinc/92/50/12/1033925012.db2.gz WEIPWWPJWMJQAO-CHWSQXEVSA-N 1 2 339.361 3.658 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887839 1034020033 /nfs/dbraw/zinc/02/00/33/1034020033.db2.gz UOFBAVOSMTVHDN-AWEZNQCLSA-N 1 2 326.362 3.641 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595887839 1034020052 /nfs/dbraw/zinc/02/00/52/1034020052.db2.gz UOFBAVOSMTVHDN-AWEZNQCLSA-N 1 2 326.362 3.641 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)c1 ZINC000599621593 1034038639 /nfs/dbraw/zinc/03/86/39/1034038639.db2.gz BICMSJYNDYMYGL-MRXNPFEDSA-N 1 2 349.425 3.670 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)c1 ZINC000599621593 1034038658 /nfs/dbraw/zinc/03/86/58/1034038658.db2.gz BICMSJYNDYMYGL-MRXNPFEDSA-N 1 2 349.425 3.670 20 30 EHEDLO Cc1cccc(-c2noc(C[N@@H+]3CCc4c(CC#N)cccc4C3)n2)c1 ZINC000599686768 1034115305 /nfs/dbraw/zinc/11/53/05/1034115305.db2.gz YGALXRGJIQDLDU-UHFFFAOYSA-N 1 2 344.418 3.669 20 30 EHEDLO Cc1cccc(-c2noc(C[N@H+]3CCc4c(CC#N)cccc4C3)n2)c1 ZINC000599686768 1034115309 /nfs/dbraw/zinc/11/53/09/1034115309.db2.gz YGALXRGJIQDLDU-UHFFFAOYSA-N 1 2 344.418 3.669 20 30 EHEDLO Cc1nc(N[C@@H]2CCc3cc(C#N)ccc32)c(Br)c(C)[nH+]1 ZINC000596215742 1034122361 /nfs/dbraw/zinc/12/23/61/1034122361.db2.gz TVBSNRWORPNVIN-CQSZACIVSA-N 1 2 343.228 3.827 20 30 EHEDLO CCOc1ccc(-c2nc(C[NH+]3CCC(C#N)CC3)cs2)cc1 ZINC000057875989 1034239610 /nfs/dbraw/zinc/23/96/10/1034239610.db2.gz IRICZACLUSPZJW-UHFFFAOYSA-N 1 2 327.453 3.944 20 30 EHEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000450448295 1034349697 /nfs/dbraw/zinc/34/96/97/1034349697.db2.gz ACTUTPLUFMPLBS-PMACEKPBSA-N 1 2 349.434 3.530 20 30 EHEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000450448295 1034349702 /nfs/dbraw/zinc/34/97/02/1034349702.db2.gz ACTUTPLUFMPLBS-PMACEKPBSA-N 1 2 349.434 3.530 20 30 EHEDLO C[C@]1(C#N)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000596875054 1034442260 /nfs/dbraw/zinc/44/22/60/1034442260.db2.gz BSDHXLCFNYVGFC-HXUWFJFHSA-N 1 2 349.438 3.654 20 30 EHEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H](c4ccccc4F)C3)cc2)CC1 ZINC000596997576 1034497375 /nfs/dbraw/zinc/49/73/75/1034497375.db2.gz DSPSIQCJVHVZDO-HXUWFJFHSA-N 1 2 336.410 3.954 20 30 EHEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](c4ccccc4F)C3)cc2)CC1 ZINC000596997576 1034497382 /nfs/dbraw/zinc/49/73/82/1034497382.db2.gz DSPSIQCJVHVZDO-HXUWFJFHSA-N 1 2 336.410 3.954 20 30 EHEDLO CC[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000612490193 1034995597 /nfs/dbraw/zinc/99/55/97/1034995597.db2.gz QCAUBACUFKMVSZ-LLVKDONJSA-N 1 2 326.347 3.669 20 30 EHEDLO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ncc(CC)s2)c1O ZINC000164447589 1035613228 /nfs/dbraw/zinc/61/32/28/1035613228.db2.gz OJNKLMYACGWJCN-UHFFFAOYSA-N 1 2 332.469 3.780 20 30 EHEDLO C=CCc1cc(OC)cc(C[N@H+](C)Cc2ncc(CC)s2)c1O ZINC000164447589 1035613238 /nfs/dbraw/zinc/61/32/38/1035613238.db2.gz OJNKLMYACGWJCN-UHFFFAOYSA-N 1 2 332.469 3.780 20 30 EHEDLO Cc1cc(OCC(=O)Nc2cccc(C#N)c2)c2cccc(C)c2[nH+]1 ZINC000540844910 1035729368 /nfs/dbraw/zinc/72/93/68/1035729368.db2.gz YYVSJSCEDALCDT-UHFFFAOYSA-N 1 2 331.375 3.741 20 30 EHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000187011577 1035740384 /nfs/dbraw/zinc/74/03/84/1035740384.db2.gz RRNVIGQWWCHQOX-HNNXBMFYSA-N 1 2 343.496 3.753 20 30 EHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC2(CC2)C1 ZINC000187011577 1035740404 /nfs/dbraw/zinc/74/04/04/1035740404.db2.gz RRNVIGQWWCHQOX-HNNXBMFYSA-N 1 2 343.496 3.753 20 30 EHEDLO Cc1cccn2cc(CCNc3nc(C)c(C#N)cc3Cl)[nH+]c12 ZINC000589689241 1036591944 /nfs/dbraw/zinc/59/19/44/1036591944.db2.gz ZVJHKMJTBSETSS-UHFFFAOYSA-N 1 2 325.803 3.526 20 30 EHEDLO C=CCCn1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)nn1 ZINC000653557139 1036634518 /nfs/dbraw/zinc/63/45/18/1036634518.db2.gz DNJUGZQBPCCYBS-MAUKXSAKSA-N 1 2 328.485 3.533 20 30 EHEDLO C=CCCn1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)nn1 ZINC000653557139 1036634526 /nfs/dbraw/zinc/63/45/26/1036634526.db2.gz DNJUGZQBPCCYBS-MAUKXSAKSA-N 1 2 328.485 3.533 20 30 EHEDLO Cc1cc(NCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1[NH+](C)C ZINC000180317391 1036646710 /nfs/dbraw/zinc/64/67/10/1036646710.db2.gz PLRMBLVWZKVPSP-UHFFFAOYSA-N 1 2 345.450 3.945 20 30 EHEDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000442882822 1036652601 /nfs/dbraw/zinc/65/26/01/1036652601.db2.gz GAYAAJVUWFIIPS-VBKZILBWSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000442882822 1036652616 /nfs/dbraw/zinc/65/26/16/1036652616.db2.gz GAYAAJVUWFIIPS-VBKZILBWSA-N 1 2 340.398 3.668 20 30 EHEDLO C[C@H](CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000572964791 1036908248 /nfs/dbraw/zinc/90/82/48/1036908248.db2.gz ZBYDPGSTNOSRPT-ZWNOBZJWSA-N 1 2 337.210 3.522 20 30 EHEDLO Cn1c(C[NH2+]Cc2ccc(C#N)cc2F)nc2cc(Cl)ccc21 ZINC000122278350 1036934659 /nfs/dbraw/zinc/93/46/59/1036934659.db2.gz BQFKZSFWXDAJMQ-UHFFFAOYSA-N 1 2 328.778 3.527 20 30 EHEDLO CCCCOc1ccc(-c2nnc(C[NH+]3CCC(C#N)CC3)o2)cc1 ZINC000057875573 1037221586 /nfs/dbraw/zinc/22/15/86/1037221586.db2.gz UBEYHIGRWAVSBL-UHFFFAOYSA-N 1 2 340.427 3.651 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000491696785 1037638428 /nfs/dbraw/zinc/63/84/28/1037638428.db2.gz FMIVFKUJIOFTPN-HXUWFJFHSA-N 1 2 337.373 3.674 20 30 EHEDLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000123768564 1038071971 /nfs/dbraw/zinc/07/19/71/1038071971.db2.gz HYWCPMWEJUGDFQ-RYUDHWBXSA-N 1 2 345.258 3.732 20 30 EHEDLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000123768564 1038071996 /nfs/dbraw/zinc/07/19/96/1038071996.db2.gz HYWCPMWEJUGDFQ-RYUDHWBXSA-N 1 2 345.258 3.732 20 30 EHEDLO C=CCc1cc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)cc(OC)c1O ZINC000538752512 1038516424 /nfs/dbraw/zinc/51/64/24/1038516424.db2.gz RQWCOHRGLUYCGK-UHFFFAOYSA-N 1 2 349.471 3.681 20 30 EHEDLO C=CCc1cc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)cc(OC)c1O ZINC000538752512 1038516429 /nfs/dbraw/zinc/51/64/29/1038516429.db2.gz RQWCOHRGLUYCGK-UHFFFAOYSA-N 1 2 349.471 3.681 20 30 EHEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(F)c(F)c1 ZINC000488494846 1039215098 /nfs/dbraw/zinc/21/50/98/1039215098.db2.gz NWECYNDGQBHZBR-UHFFFAOYSA-N 1 2 349.768 3.560 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(F)c(F)c1 ZINC000488494846 1039215114 /nfs/dbraw/zinc/21/51/14/1039215114.db2.gz NWECYNDGQBHZBR-UHFFFAOYSA-N 1 2 349.768 3.560 20 30 EHEDLO CC[C@@H](CC#N)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439046592 1039873748 /nfs/dbraw/zinc/87/37/48/1039873748.db2.gz LNJREEGBTOKOJB-AWEZNQCLSA-N 1 2 337.427 3.700 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000567516734 1040038248 /nfs/dbraw/zinc/03/82/48/1040038248.db2.gz HNBYHKIAJLQGDZ-ICSRJNTNSA-N 1 2 327.472 3.706 20 30 EHEDLO CCCCOc1ccc(C(=O)/C=C/c2ccc(N)[nH+]c2)cc1OC ZINC000899348781 1040367531 /nfs/dbraw/zinc/36/75/31/1040367531.db2.gz KCICURYBUSWAKV-VMPITWQZSA-N 1 2 326.396 3.747 20 30 EHEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000491071295 1040903709 /nfs/dbraw/zinc/90/37/09/1040903709.db2.gz JLVFAGUNLMRPNK-UHFFFAOYSA-N 1 2 336.395 3.544 20 30 EHEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000491071295 1040903738 /nfs/dbraw/zinc/90/37/38/1040903738.db2.gz JLVFAGUNLMRPNK-UHFFFAOYSA-N 1 2 336.395 3.544 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660430148 1041293199 /nfs/dbraw/zinc/29/31/99/1041293199.db2.gz RCAMROOBVSWHNB-LBPRGKRZSA-N 1 2 348.244 3.549 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660430148 1041293214 /nfs/dbraw/zinc/29/32/14/1041293214.db2.gz RCAMROOBVSWHNB-LBPRGKRZSA-N 1 2 348.244 3.549 20 30 EHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1CCC(C)C ZINC000661150735 1041970237 /nfs/dbraw/zinc/97/02/37/1041970237.db2.gz ROIKSRSFYFODFG-SFHVURJKSA-N 1 2 329.488 3.959 20 30 EHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1CCC(C)C ZINC000661150735 1041970245 /nfs/dbraw/zinc/97/02/45/1041970245.db2.gz ROIKSRSFYFODFG-SFHVURJKSA-N 1 2 329.488 3.959 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000188272229 1042582998 /nfs/dbraw/zinc/58/29/98/1042582998.db2.gz QALJXPKNXUXEKT-JXFKEZNVSA-N 1 2 330.472 3.503 20 30 EHEDLO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000185467010 1126903105 /nfs/dbraw/zinc/90/31/05/1126903105.db2.gz LWOMSVCVPAPIQE-HNNXBMFYSA-N 1 2 336.826 3.623 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc4ccccc43)CC2)cc1F ZINC000338541939 1127790209 /nfs/dbraw/zinc/79/02/09/1127790209.db2.gz YPOGWZRIIPPPMU-UHFFFAOYSA-N 1 2 346.409 3.568 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301657404 1128601532 /nfs/dbraw/zinc/60/15/32/1128601532.db2.gz VSMYUBGLHQNNAO-QGZVFWFLSA-N 1 2 348.381 3.607 20 30 EHEDLO CC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477669 1128733140 /nfs/dbraw/zinc/73/31/40/1128733140.db2.gz FQOCBEQDPCPLIL-OAHLLOKOSA-N 1 2 349.434 3.782 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477669 1128733141 /nfs/dbraw/zinc/73/31/41/1128733141.db2.gz FQOCBEQDPCPLIL-OAHLLOKOSA-N 1 2 349.434 3.782 20 30 EHEDLO C=C(C)[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000185457767 1120414829 /nfs/dbraw/zinc/41/48/29/1120414829.db2.gz SGSDACDYOAOCQB-QGZVFWFLSA-N 1 2 348.397 3.510 20 30 EHEDLO CC[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)C[C@@H](C)C#N ZINC000186903588 1120479233 /nfs/dbraw/zinc/47/92/33/1120479233.db2.gz OZCIWKOVHYPEFH-HNNXBMFYSA-N 1 2 327.403 3.781 20 30 EHEDLO CC[N@H+](Cc1ccc(OCc2ccccc2F)nc1)C[C@@H](C)C#N ZINC000186903588 1120479237 /nfs/dbraw/zinc/47/92/37/1120479237.db2.gz OZCIWKOVHYPEFH-HNNXBMFYSA-N 1 2 327.403 3.781 20 30 EHEDLO C=CCOc1ccc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)cc1 ZINC000914447601 1120757359 /nfs/dbraw/zinc/75/73/59/1120757359.db2.gz DHLHOJOOSBAZLK-UHFFFAOYSA-N 1 2 345.468 3.802 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000914569498 1120902735 /nfs/dbraw/zinc/90/27/35/1120902735.db2.gz WMUISIMKUCXBBX-CQSZACIVSA-N 1 2 345.516 3.986 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000914569498 1120902736 /nfs/dbraw/zinc/90/27/36/1120902736.db2.gz WMUISIMKUCXBBX-CQSZACIVSA-N 1 2 345.516 3.986 20 30 EHEDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000153544385 1121290901 /nfs/dbraw/zinc/29/09/01/1121290901.db2.gz DSNKAMFXAPBHCS-GFCCVEGCSA-N 1 2 331.803 3.654 20 30 EHEDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000153544385 1121290907 /nfs/dbraw/zinc/29/09/07/1121290907.db2.gz DSNKAMFXAPBHCS-GFCCVEGCSA-N 1 2 331.803 3.654 20 30 EHEDLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000032489716 1121533699 /nfs/dbraw/zinc/53/36/99/1121533699.db2.gz XDYZDUXFPDQKIW-OAHLLOKOSA-N 1 2 339.464 3.614 20 30 EHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000032489716 1121533705 /nfs/dbraw/zinc/53/37/05/1121533705.db2.gz XDYZDUXFPDQKIW-OAHLLOKOSA-N 1 2 339.464 3.614 20 30 EHEDLO FC(F)(F)c1ccc(N=NC2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000915938020 1121995649 /nfs/dbraw/zinc/99/56/49/1121995649.db2.gz XSJLFPMKPXQFHP-UHFFFAOYSA-N 1 2 335.333 3.564 20 30 EHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000496618254 1122135413 /nfs/dbraw/zinc/13/54/13/1122135413.db2.gz PUSCSLVJKDQDFN-UKRRQHHQSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000496618254 1122135416 /nfs/dbraw/zinc/13/54/16/1122135416.db2.gz PUSCSLVJKDQDFN-UKRRQHHQSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@@H]1CN(c2ccc(Nc3ccc(C4(C#N)CC4)cc3)c[nH+]2)C[C@H](C)O1 ZINC001212247669 1123321390 /nfs/dbraw/zinc/32/13/90/1123321390.db2.gz PTQFNSFBAAHWFK-IYBDPMFKSA-N 1 2 348.450 3.994 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCc3sccc3C2)c(C#N)c1C ZINC000609323360 1123461000 /nfs/dbraw/zinc/46/10/00/1123461000.db2.gz BAIGKWYOLRYMEA-LBPRGKRZSA-N 1 2 343.452 3.605 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCc3sccc3C2)c(C#N)c1C ZINC000609323360 1123461003 /nfs/dbraw/zinc/46/10/03/1123461003.db2.gz BAIGKWYOLRYMEA-LBPRGKRZSA-N 1 2 343.452 3.605 20 30 EHEDLO C=CC[N@H+](Cc1ccc(O)cc1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000615505844 1123813243 /nfs/dbraw/zinc/81/32/43/1123813243.db2.gz DZWHEEJMCZFONM-HXUWFJFHSA-N 1 2 339.435 3.555 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(O)cc1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000615505844 1123813247 /nfs/dbraw/zinc/81/32/47/1123813247.db2.gz DZWHEEJMCZFONM-HXUWFJFHSA-N 1 2 339.435 3.555 20 30 EHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000617043036 1124079949 /nfs/dbraw/zinc/07/99/49/1124079949.db2.gz YTIYVNDENPXQFF-UYAOXDASSA-N 1 2 337.467 3.725 20 30 EHEDLO N#CC(CC[N@@H+]1CCc2c[nH]nc2C1)(c1ccccc1)c1ccccc1 ZINC000618288435 1125038089 /nfs/dbraw/zinc/03/80/89/1125038089.db2.gz OLGVTZZYZDYKRE-UHFFFAOYSA-N 1 2 342.446 3.668 20 30 EHEDLO N#CC(CC[N@H+]1CCc2c[nH]nc2C1)(c1ccccc1)c1ccccc1 ZINC000618288435 1125038098 /nfs/dbraw/zinc/03/80/98/1125038098.db2.gz OLGVTZZYZDYKRE-UHFFFAOYSA-N 1 2 342.446 3.668 20 30 EHEDLO COc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC2 ZINC000735309506 1131334389 /nfs/dbraw/zinc/33/43/89/1131334389.db2.gz GZEJETMWWJAJHW-UHFFFAOYSA-N 1 2 342.826 3.809 20 30 EHEDLO COc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1OCC#N)CC2 ZINC000735309506 1131334393 /nfs/dbraw/zinc/33/43/93/1131334393.db2.gz GZEJETMWWJAJHW-UHFFFAOYSA-N 1 2 342.826 3.809 20 30 EHEDLO N#CCc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000543206251 1129344822 /nfs/dbraw/zinc/34/48/22/1129344822.db2.gz JXEDEPWBUJEWTK-IBGZPJMESA-N 1 2 326.827 3.980 20 30 EHEDLO N#CCc1ccc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000543206251 1129344823 /nfs/dbraw/zinc/34/48/23/1129344823.db2.gz JXEDEPWBUJEWTK-IBGZPJMESA-N 1 2 326.827 3.980 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1Cl ZINC000922580227 1129580307 /nfs/dbraw/zinc/58/03/07/1129580307.db2.gz OIJVUOYOVRLCJX-QGZVFWFLSA-N 1 2 329.831 3.936 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1ccc(-c2nccs2)n1 ZINC000766065895 1130187274 /nfs/dbraw/zinc/18/72/74/1130187274.db2.gz FQCADNKYMIQITI-UHFFFAOYSA-N 1 2 340.452 3.661 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1ccc(-c2nccs2)n1 ZINC000766065895 1130187280 /nfs/dbraw/zinc/18/72/80/1130187280.db2.gz FQCADNKYMIQITI-UHFFFAOYSA-N 1 2 340.452 3.661 20 30 EHEDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173442353 1130232378 /nfs/dbraw/zinc/23/23/78/1130232378.db2.gz VHVLIGDYEQLBAC-ZDUSSCGKSA-N 1 2 336.370 3.940 20 30 EHEDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173442353 1130232385 /nfs/dbraw/zinc/23/23/85/1130232385.db2.gz VHVLIGDYEQLBAC-ZDUSSCGKSA-N 1 2 336.370 3.940 20 30 EHEDLO CCCCCCCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731249001 1130781929 /nfs/dbraw/zinc/78/19/29/1130781929.db2.gz PMILIXAKAJWMDD-IBGZPJMESA-N 1 2 333.472 3.698 20 30 EHEDLO CCOc1cccc(/C=[NH+]/CCc2c[nH]c3ccc(OC)cc23)c1O ZINC000733081112 1130989035 /nfs/dbraw/zinc/98/90/35/1130989035.db2.gz NPNBHFUDQSWNPH-CIAFOILYSA-N 1 2 338.407 3.942 20 30 EHEDLO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000741793829 1131649381 /nfs/dbraw/zinc/64/93/81/1131649381.db2.gz ACZVWPADXAPYII-RBSFLKMASA-N 1 2 341.480 3.983 20 30 EHEDLO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000741793829 1131649384 /nfs/dbraw/zinc/64/93/84/1131649384.db2.gz ACZVWPADXAPYII-RBSFLKMASA-N 1 2 341.480 3.983 20 30 EHEDLO C[C@H](CCCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001172501492 1131761508 /nfs/dbraw/zinc/76/15/08/1131761508.db2.gz DIROAFXFVCFERY-CHWSQXEVSA-N 1 2 349.397 3.552 20 30 EHEDLO C[C@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001172501492 1131761510 /nfs/dbraw/zinc/76/15/10/1131761510.db2.gz DIROAFXFVCFERY-CHWSQXEVSA-N 1 2 349.397 3.552 20 30 EHEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC(Cc2ccccc2)CC1)C(=O)OCC ZINC001172819455 1131850728 /nfs/dbraw/zinc/85/07/28/1131850728.db2.gz ISFJTAOSNVIKJA-DRDORILISA-N 1 2 327.468 3.885 20 30 EHEDLO C#Cc1cccc(NCc2c[nH+]c3c(C)cc(Br)cn23)c1 ZINC000766442754 1132544877 /nfs/dbraw/zinc/54/48/77/1132544877.db2.gz DXSFJHRWFSYWBR-UHFFFAOYSA-N 1 2 340.224 3.999 20 30 EHEDLO CC1(C)CC(=O)C=C(Nc2c(Br)ccc3[nH+]ccn32)C1 ZINC001169953097 1132908868 /nfs/dbraw/zinc/90/88/68/1132908868.db2.gz NNCQWKMWDUWTMK-UHFFFAOYSA-N 1 2 334.217 3.782 20 30 EHEDLO Cc1cc(Br)c(O)c(CNc2cc(CC#N)cc[nH+]2)c1 ZINC000767289630 1132978273 /nfs/dbraw/zinc/97/82/73/1132978273.db2.gz BYXGHCONCHUPLY-UHFFFAOYSA-N 1 2 332.201 3.536 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)nc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749540 1132991763 /nfs/dbraw/zinc/99/17/63/1132991763.db2.gz GONIGFHHOKTXLH-UHFFFAOYSA-N 1 2 333.317 3.711 20 30 EHEDLO C#CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000769704368 1133332921 /nfs/dbraw/zinc/33/29/21/1133332921.db2.gz DTZYEOPTOANNPU-LJQANCHMSA-N 1 2 346.390 3.594 20 30 EHEDLO C#CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC000769704368 1133332929 /nfs/dbraw/zinc/33/29/29/1133332929.db2.gz DTZYEOPTOANNPU-LJQANCHMSA-N 1 2 346.390 3.594 20 30 EHEDLO CC(=[NH+]Nc1c(C)cccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000769839458 1133354356 /nfs/dbraw/zinc/35/43/56/1133354356.db2.gz CUICPMGVKKMGEM-UHFFFAOYSA-N 1 2 345.393 3.946 20 30 EHEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cc(C)on2)ccc1OC ZINC000788639434 1134154492 /nfs/dbraw/zinc/15/44/92/1134154492.db2.gz OELKYRBOCAGZTR-DZGCQCFKSA-N 1 2 329.400 3.523 20 30 EHEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001170094184 1134199734 /nfs/dbraw/zinc/19/97/34/1134199734.db2.gz GXLNCUHJGUXABO-AWEZNQCLSA-N 1 2 344.817 3.942 20 30 EHEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001170094184 1134199740 /nfs/dbraw/zinc/19/97/40/1134199740.db2.gz GXLNCUHJGUXABO-AWEZNQCLSA-N 1 2 344.817 3.942 20 30 EHEDLO C=C(C)C[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccccc1 ZINC000791568937 1134569154 /nfs/dbraw/zinc/56/91/54/1134569154.db2.gz QOTMYDUZMCWAKD-UHFFFAOYSA-N 1 2 332.451 3.905 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccccc1 ZINC000791568937 1134569160 /nfs/dbraw/zinc/56/91/60/1134569160.db2.gz QOTMYDUZMCWAKD-UHFFFAOYSA-N 1 2 332.451 3.905 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC001189459352 1134590632 /nfs/dbraw/zinc/59/06/32/1134590632.db2.gz OWEHGKGJWSYAJA-UHFFFAOYSA-N 1 2 347.768 3.694 20 30 EHEDLO CC(C)(C)c1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc[nH+]1 ZINC001190939192 1134767369 /nfs/dbraw/zinc/76/73/69/1134767369.db2.gz SSCGDXCTDMCCNP-UHFFFAOYSA-N 1 2 349.843 3.705 20 30 EHEDLO Cc1ccc(F)cc1NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001191378026 1134852006 /nfs/dbraw/zinc/85/20/06/1134852006.db2.gz HTAMULMJZFJHJO-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO Cc1ccc(F)cc1NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001191378026 1134852011 /nfs/dbraw/zinc/85/20/11/1134852011.db2.gz HTAMULMJZFJHJO-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO CCCCCCCCOC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001194744007 1135308621 /nfs/dbraw/zinc/30/86/21/1135308621.db2.gz WZSMSDCMZBJJCV-UHFFFAOYSA-N 1 2 332.435 3.899 20 30 EHEDLO C[C@@H](C#N)c1ccc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)cc1 ZINC001194910718 1135338641 /nfs/dbraw/zinc/33/86/41/1135338641.db2.gz XLXMMVQCOPRGDZ-AWEZNQCLSA-N 1 2 330.391 3.966 20 30 EHEDLO COC(=O)[C@@]1([NH2+]CC2CCC(C#N)CC2)CC[C@@H](C)c2ccccc21 ZINC001198731691 1135849436 /nfs/dbraw/zinc/84/94/36/1135849436.db2.gz LSIMYLCEELXURL-VVWCADPZSA-N 1 2 340.467 3.872 20 30 EHEDLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1[C@@H]1CCCO1 ZINC000810030474 1135916795 /nfs/dbraw/zinc/91/67/95/1135916795.db2.gz WVWWVEAGZMYGNQ-IRXDYDNUSA-N 1 2 334.847 3.632 20 30 EHEDLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1[C@@H]1CCCO1 ZINC000810030474 1135916796 /nfs/dbraw/zinc/91/67/96/1135916796.db2.gz WVWWVEAGZMYGNQ-IRXDYDNUSA-N 1 2 334.847 3.632 20 30 EHEDLO CCCCCCCC[N@@H+]1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O ZINC001201814336 1136064954 /nfs/dbraw/zinc/06/49/54/1136064954.db2.gz NVEHBTGVXXLXSS-IBGZPJMESA-N 1 2 348.535 3.860 20 30 EHEDLO CCCCCCCC[N@H+]1CCc2c(ncn2C(C)C)[C@@H]1CNC(C)=O ZINC001201814336 1136064956 /nfs/dbraw/zinc/06/49/56/1136064956.db2.gz NVEHBTGVXXLXSS-IBGZPJMESA-N 1 2 348.535 3.860 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cc([N+](=O)[O-])ccc1F ZINC000814191394 1136416126 /nfs/dbraw/zinc/41/61/26/1136416126.db2.gz PLPCLFDQXFUJOF-HWKANZROSA-N 1 2 345.717 3.931 20 30 EHEDLO CC1(C)CC(=[NH+]Nc2cccc([N+](=O)[O-])c2)c2cc(N)ccc2O1 ZINC000814694551 1136494891 /nfs/dbraw/zinc/49/48/91/1136494891.db2.gz PAEMPDLZCHYIKN-UHFFFAOYSA-N 1 2 326.356 3.554 20 30 EHEDLO CCOC(=O)c1ccc(N[NH+]=C(CC)c2cccc(N)c2)cc1C ZINC000814934781 1136526718 /nfs/dbraw/zinc/52/67/18/1136526718.db2.gz HDEOQGMWRVRYBZ-UHFFFAOYSA-N 1 2 325.412 3.980 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(Cc2csc(C)n2)oc1=S ZINC000853599915 1136548251 /nfs/dbraw/zinc/54/82/51/1136548251.db2.gz YJAOLYBIEZZDEW-OKILXGFUSA-N 1 2 348.497 3.702 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(Cc2csc(C)n2)oc1=S ZINC000853599915 1136548254 /nfs/dbraw/zinc/54/82/54/1136548254.db2.gz YJAOLYBIEZZDEW-OKILXGFUSA-N 1 2 348.497 3.702 20 30 EHEDLO N#CC1(CC(=O)OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000815974739 1136655648 /nfs/dbraw/zinc/65/56/48/1136655648.db2.gz PEEDJMFHMFMNCP-UHFFFAOYSA-N 1 2 346.430 3.697 20 30 EHEDLO Clc1ccc(C=NOCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817377470 1136801195 /nfs/dbraw/zinc/80/11/95/1136801195.db2.gz NAMRQNVAJLQVFD-UHFFFAOYSA-N 1 2 344.842 3.723 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778063 1136810446 /nfs/dbraw/zinc/81/04/46/1136810446.db2.gz JWAZMCZYWBQEBH-SECBINFHSA-N 1 2 340.736 3.871 20 30 EHEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001171063443 1137149957 /nfs/dbraw/zinc/14/99/57/1137149957.db2.gz KLGNDQWZXUYEGR-LJQANCHMSA-N 1 2 335.407 3.610 20 30 EHEDLO CCc1noc(C2CC[NH+](Cc3c(Cl)cccc3C#N)CC2)n1 ZINC001143730835 1137194520 /nfs/dbraw/zinc/19/45/20/1137194520.db2.gz CAOKOHFMYRYSBO-UHFFFAOYSA-N 1 2 330.819 3.537 20 30 EHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001143731676 1137194934 /nfs/dbraw/zinc/19/49/34/1137194934.db2.gz ALFUUPNMNOYLMB-INIZCTEOSA-N 1 2 327.815 3.650 20 30 EHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001143731676 1137194935 /nfs/dbraw/zinc/19/49/35/1137194935.db2.gz ALFUUPNMNOYLMB-INIZCTEOSA-N 1 2 327.815 3.650 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC)CC2CCC2)c1=S ZINC000794688814 1137232097 /nfs/dbraw/zinc/23/20/97/1137232097.db2.gz SMVVOSJSIKYDAE-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC)CC2CCC2)c1=S ZINC000794688814 1137232098 /nfs/dbraw/zinc/23/20/98/1137232098.db2.gz SMVVOSJSIKYDAE-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000794697356 1137236244 /nfs/dbraw/zinc/23/62/44/1137236244.db2.gz DRRGSQJDTOEUAK-HJWRWDBZSA-N 1 2 325.437 3.891 20 30 EHEDLO O=C(C=Cc1c[nH+]c2ccc(Cl)cn12)c1ccc2[nH]c(=O)oc2c1 ZINC000794716657 1137243094 /nfs/dbraw/zinc/24/30/94/1137243094.db2.gz URQKEIXWNYLVAW-HWKANZROSA-N 1 2 339.738 3.731 20 30 EHEDLO COC(=O)[C@H](CC1CCCCC1)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171184186 1137293686 /nfs/dbraw/zinc/29/36/86/1137293686.db2.gz LHVDILFYHWZZKV-BEFAXECRSA-N 1 2 328.456 3.591 20 30 EHEDLO N#CC1(c2ccccc2)CC[NH+](Cc2cc(F)c(O)cc2F)CC1 ZINC001144646775 1137322281 /nfs/dbraw/zinc/32/22/81/1137322281.db2.gz JVOUYMGZZYTKJY-UHFFFAOYSA-N 1 2 328.362 3.728 20 30 EHEDLO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cccc(C#N)c1O ZINC000866211079 1137335452 /nfs/dbraw/zinc/33/54/52/1137335452.db2.gz ALBKPTKDXGMDFI-RHSMWYFYSA-N 1 2 341.480 3.813 20 30 EHEDLO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866287761 1137342859 /nfs/dbraw/zinc/34/28/59/1137342859.db2.gz QTBVKOBZIVNPOV-VFVRVIDISA-N 1 2 328.387 3.566 20 30 EHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccc(OCC#N)cc1 ZINC000866295088 1137343505 /nfs/dbraw/zinc/34/35/05/1137343505.db2.gz RMLJUHPXTNYJQD-SOVGHPHASA-N 1 2 326.371 3.711 20 30 EHEDLO C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1cccc(C#N)c1O ZINC000866326843 1137345939 /nfs/dbraw/zinc/34/59/39/1137345939.db2.gz MPCZXZPXNIYLJW-PXAZEXFGSA-N 1 2 326.371 3.967 20 30 EHEDLO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866355118 1137348956 /nfs/dbraw/zinc/34/89/56/1137348956.db2.gz UIHIXTNYLVMWPX-PIGZYNQJSA-N 1 2 326.371 3.750 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@H]1OCCc2sccc21 ZINC000866365327 1137349766 /nfs/dbraw/zinc/34/97/66/1137349766.db2.gz VAXXTWZYQXZMCK-VNBZBWLYSA-N 1 2 328.437 3.678 20 30 EHEDLO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1cccc(C#N)c1O ZINC000866409008 1137352363 /nfs/dbraw/zinc/35/23/63/1137352363.db2.gz HIXHLFCAOAZMEJ-PIGZYNQJSA-N 1 2 348.805 3.831 20 30 EHEDLO N#CC1([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CCCCC1 ZINC001171241887 1137360287 /nfs/dbraw/zinc/36/02/87/1137360287.db2.gz DEKXNWMOQFHEIG-YQQQUEKLSA-N 1 2 337.467 3.638 20 30 EHEDLO O=C1c2cn(-c3ccccc3)nc2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000794952926 1137377863 /nfs/dbraw/zinc/37/78/63/1137377863.db2.gz KCOSGUMHNMWCKO-NTCAYCPXSA-N 1 2 340.386 3.733 20 30 EHEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc(-c2cccc(C(F)(F)F)c2)nn1 ZINC000794982146 1137393544 /nfs/dbraw/zinc/39/35/44/1137393544.db2.gz SZRNAUHTALDYRJ-UHFFFAOYSA-N 1 2 346.316 3.640 20 30 EHEDLO C[C@@H](C#N)c1cccc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001148615538 1137429743 /nfs/dbraw/zinc/42/97/43/1137429743.db2.gz NQISGCPADLFSFS-INIZCTEOSA-N 1 2 344.418 3.772 20 30 EHEDLO CCC[C@@](C)(C#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171841287 1137515410 /nfs/dbraw/zinc/51/54/10/1137515410.db2.gz OZGQJTOSRARRHH-YJBOKZPZSA-N 1 2 335.492 3.981 20 30 EHEDLO CCCC[N@H+](CC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171854474 1137515934 /nfs/dbraw/zinc/51/59/34/1137515934.db2.gz DXFNIAOSAGEULN-INIZCTEOSA-N 1 2 335.492 3.934 20 30 EHEDLO CCCC[N@@H+](CC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171854474 1137515936 /nfs/dbraw/zinc/51/59/36/1137515936.db2.gz DXFNIAOSAGEULN-INIZCTEOSA-N 1 2 335.492 3.934 20 30 EHEDLO N#CC1([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CCCCCC1 ZINC001171870459 1137516778 /nfs/dbraw/zinc/51/67/78/1137516778.db2.gz SQGSLTAILOATOU-IBGZPJMESA-N 1 2 339.483 3.887 20 30 EHEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001172299184 1137548999 /nfs/dbraw/zinc/54/89/99/1137548999.db2.gz IDFGKRIYCLGCJJ-WMLDXEAASA-N 1 2 330.472 3.835 20 30 EHEDLO C=C(C)CC[NH2+]c1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000871850427 1137560579 /nfs/dbraw/zinc/56/05/79/1137560579.db2.gz BMZCPCALCMQSID-ZDUSSCGKSA-N 1 2 339.277 3.646 20 30 EHEDLO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057953 1137568660 /nfs/dbraw/zinc/56/86/60/1137568660.db2.gz LHGNSDOBIHRCJA-LBPRGKRZSA-N 1 2 325.343 3.945 20 30 EHEDLO C=CCC(C)(C)c1noc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872182205 1137575617 /nfs/dbraw/zinc/57/56/17/1137575617.db2.gz IFNWUOKWBOXVGQ-LBPRGKRZSA-N 1 2 325.334 3.990 20 30 EHEDLO CC(C)n1cc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cn1 ZINC001137082728 1137625183 /nfs/dbraw/zinc/62/51/83/1137625183.db2.gz NZQFSMFWSVDIGS-UHFFFAOYSA-N 1 2 326.419 3.660 20 30 EHEDLO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C#N)CC1 ZINC000877136510 1137671266 /nfs/dbraw/zinc/67/12/66/1137671266.db2.gz HNQXTDCNTLVFJQ-ABHNRTSZSA-N 1 2 328.456 3.611 20 30 EHEDLO C=C(C)C[C@H]([NH2+][C@@H](C)CCc1cncc2ccccc21)C(=O)OC ZINC000877691038 1137686008 /nfs/dbraw/zinc/68/60/08/1137686008.db2.gz YKFHIZGQUGPRMR-KXBFYZLASA-N 1 2 326.440 3.653 20 30 EHEDLO C#CC[C@@H]1CCCN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1 ZINC000879717555 1137756431 /nfs/dbraw/zinc/75/64/31/1137756431.db2.gz AKSMLQBLXXXPQQ-OAHLLOKOSA-N 1 2 336.439 3.568 20 30 EHEDLO COc1ccccc1[C@@H]1CSCCC[N@@H+]1Cc1ccncc1C#N ZINC000880176388 1137770068 /nfs/dbraw/zinc/77/00/68/1137770068.db2.gz QEIKTFZVIFMQOS-SFHVURJKSA-N 1 2 339.464 3.642 20 30 EHEDLO COc1ccccc1[C@@H]1CSCCC[N@H+]1Cc1ccncc1C#N ZINC000880176388 1137770069 /nfs/dbraw/zinc/77/00/69/1137770069.db2.gz QEIKTFZVIFMQOS-SFHVURJKSA-N 1 2 339.464 3.642 20 30 EHEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)cc(Br)c1OC ZINC000093090820 1138234086 /nfs/dbraw/zinc/23/40/86/1138234086.db2.gz WBXXMMHFKWARQT-NSHDSACASA-N 1 2 341.249 3.590 20 30 EHEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc(Br)c1OC ZINC000093090820 1138234088 /nfs/dbraw/zinc/23/40/88/1138234088.db2.gz WBXXMMHFKWARQT-NSHDSACASA-N 1 2 341.249 3.590 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@H](C)CC#N)c2)cc1 ZINC000093090601 1138234443 /nfs/dbraw/zinc/23/44/43/1138234443.db2.gz VHCYZAKXPKEMCF-OAHLLOKOSA-N 1 2 337.423 3.681 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@H](C)CC#N)c2)cc1 ZINC000093090601 1138234445 /nfs/dbraw/zinc/23/44/45/1138234445.db2.gz VHCYZAKXPKEMCF-OAHLLOKOSA-N 1 2 337.423 3.681 20 30 EHEDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000130275113 1138445524 /nfs/dbraw/zinc/44/55/24/1138445524.db2.gz HURHFOJBBFKXKP-KRWDZBQOSA-N 1 2 333.395 3.586 20 30 EHEDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000130275113 1138445526 /nfs/dbraw/zinc/44/55/26/1138445526.db2.gz HURHFOJBBFKXKP-KRWDZBQOSA-N 1 2 333.395 3.586 20 30 EHEDLO C#CCOc1ccc(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000173864563 1139382769 /nfs/dbraw/zinc/38/27/69/1139382769.db2.gz OBAZCFZWYRMGRZ-HNNXBMFYSA-N 1 2 339.439 3.980 20 30 EHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000185488880 1140152874 /nfs/dbraw/zinc/15/28/74/1140152874.db2.gz LAQNKFAFEXPZAA-LBPRGKRZSA-N 1 2 332.860 3.551 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186917938 1140228596 /nfs/dbraw/zinc/22/85/96/1140228596.db2.gz TVBSPRTXBHURJT-CYBMUJFWSA-N 1 2 349.862 3.558 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000186917938 1140228600 /nfs/dbraw/zinc/22/86/00/1140228600.db2.gz TVBSPRTXBHURJT-CYBMUJFWSA-N 1 2 349.862 3.558 20 30 EHEDLO C=CCC1(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000188477756 1140297921 /nfs/dbraw/zinc/29/79/21/1140297921.db2.gz HTDQHNDRRDCIRT-UHFFFAOYSA-N 1 2 341.499 3.893 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1C#N ZINC000269722352 1141138126 /nfs/dbraw/zinc/13/81/26/1141138126.db2.gz UZMFSRULSIICSG-IBGZPJMESA-N 1 2 346.434 3.791 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1C#N ZINC000269722352 1141138129 /nfs/dbraw/zinc/13/81/29/1141138129.db2.gz UZMFSRULSIICSG-IBGZPJMESA-N 1 2 346.434 3.791 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3csc(C4CC4)n3)CC2)cc1 ZINC000270297131 1141203102 /nfs/dbraw/zinc/20/31/02/1141203102.db2.gz CNJYQELYPVOPQB-UHFFFAOYSA-N 1 2 339.464 3.936 20 30 EHEDLO C=CC[NH+](CC=C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000098072196 219078559 /nfs/dbraw/zinc/07/85/59/219078559.db2.gz XSWCERIZZYISDN-QWHCGFSZSA-N 1 2 343.496 3.844 20 30 EHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(Br)c1 ZINC000339486018 1014569607 /nfs/dbraw/zinc/56/96/07/1014569607.db2.gz BYDSYAUDSSFNML-QMMMGPOBSA-N 1 2 340.221 3.767 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]2c2ccccc2)cc1Cl ZINC000471168618 1015220059 /nfs/dbraw/zinc/22/00/59/1015220059.db2.gz IUXCFBHXXXYUOP-KRWDZBQOSA-N 1 2 325.799 3.597 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]2c2ccccc2)cc1Cl ZINC000471168618 1015220068 /nfs/dbraw/zinc/22/00/68/1015220068.db2.gz IUXCFBHXXXYUOP-KRWDZBQOSA-N 1 2 325.799 3.597 20 30 EHEDLO NC(=[NH+]OCCCCC(F)(F)F)c1ccc(Br)cc1 ZINC000782949266 1016826436 /nfs/dbraw/zinc/82/64/36/1016826436.db2.gz FXARGPXUMCDLJF-UHFFFAOYSA-N 1 2 339.155 3.819 20 30 EHEDLO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000610276233 1032380346 /nfs/dbraw/zinc/38/03/46/1032380346.db2.gz FLCWSUHMPUNNFQ-KRWDZBQOSA-N 1 2 331.423 3.761 20 30 EHEDLO CC(C)C[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000602162732 1032678146 /nfs/dbraw/zinc/67/81/46/1032678146.db2.gz DZBPWRFZISEBMT-RTBURBONSA-N 1 2 336.439 3.536 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Br)cc1 ZINC000255109687 1017644174 /nfs/dbraw/zinc/64/41/74/1017644174.db2.gz ILDPJHFDMCUZTJ-HJWRWDBZSA-N 1 2 327.181 3.993 20 30 EHEDLO C[C@@H](c1ccccc1Br)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602441328 1032888368 /nfs/dbraw/zinc/88/83/68/1032888368.db2.gz ZCWAHOGWUHGEMS-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@@H](c1ccccc1Br)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602441328 1032888382 /nfs/dbraw/zinc/88/83/82/1032888382.db2.gz ZCWAHOGWUHGEMS-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)CCCC2 ZINC000602481041 1032911865 /nfs/dbraw/zinc/91/18/65/1032911865.db2.gz DNNYTPYLLQNNPE-QUCCMNQESA-N 1 2 334.467 3.571 20 30 EHEDLO Cn1nc2c(c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)CCCC2 ZINC000602481041 1032911877 /nfs/dbraw/zinc/91/18/77/1032911877.db2.gz DNNYTPYLLQNNPE-QUCCMNQESA-N 1 2 334.467 3.571 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(OC)cc1OC ZINC000593569852 1032975510 /nfs/dbraw/zinc/97/55/10/1032975510.db2.gz RBOLNFJYKDSDFY-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(OC)cc1OC ZINC000593569852 1032975532 /nfs/dbraw/zinc/97/55/32/1032975532.db2.gz RBOLNFJYKDSDFY-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO C#C[C@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccc(Br)cc1 ZINC000894872166 1021552642 /nfs/dbraw/zinc/55/26/42/1021552642.db2.gz ZBYAZJITCJLZBE-PXAZEXFGSA-N 1 2 344.256 3.881 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1csc(C#N)c1 ZINC000891477377 1021718361 /nfs/dbraw/zinc/71/83/61/1021718361.db2.gz JXICRPIYYOHXBV-UHFFFAOYSA-N 1 2 327.453 3.779 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1csc(C#N)c1 ZINC000891477377 1021718374 /nfs/dbraw/zinc/71/83/74/1021718374.db2.gz JXICRPIYYOHXBV-UHFFFAOYSA-N 1 2 327.453 3.779 20 30 EHEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000178298441 1022459607 /nfs/dbraw/zinc/45/96/07/1022459607.db2.gz IGEJSAHEVUXTQT-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000178298441 1022459623 /nfs/dbraw/zinc/45/96/23/1022459623.db2.gz IGEJSAHEVUXTQT-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000328866405 1022520747 /nfs/dbraw/zinc/52/07/47/1022520747.db2.gz BXUQSFMAAWFKLU-INIZCTEOSA-N 1 2 338.455 3.803 20 30 EHEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC=C(c2ccccc2)C1 ZINC000328866405 1022520756 /nfs/dbraw/zinc/52/07/56/1022520756.db2.gz BXUQSFMAAWFKLU-INIZCTEOSA-N 1 2 338.455 3.803 20 30 EHEDLO Cc1cc([C@H](C)NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000328886298 1022526734 /nfs/dbraw/zinc/52/67/34/1022526734.db2.gz ZOZJLTCYCYENSJ-GXTWGEPZSA-N 1 2 332.473 3.563 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000330428240 1022584070 /nfs/dbraw/zinc/58/40/70/1022584070.db2.gz KXYYNQCVMMZJRT-WMZOPIPTSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000330428240 1022584078 /nfs/dbraw/zinc/58/40/78/1022584078.db2.gz KXYYNQCVMMZJRT-WMZOPIPTSA-N 1 2 333.863 3.531 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331320213 1022786437 /nfs/dbraw/zinc/78/64/37/1022786437.db2.gz DWSBTFMFBZMIEG-BHDSKKPTSA-N 1 2 326.227 3.602 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000187641715 1022810412 /nfs/dbraw/zinc/81/04/12/1022810412.db2.gz VCDAADHQTZNIEL-JQFCIGGWSA-N 1 2 330.428 3.626 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)o1 ZINC000187641715 1022810430 /nfs/dbraw/zinc/81/04/30/1022810430.db2.gz VCDAADHQTZNIEL-JQFCIGGWSA-N 1 2 330.428 3.626 20 30 EHEDLO COc1ccc(CNc2[nH+]c3cccc(Cl)c3n2C)cc1C#N ZINC000184310624 1022863737 /nfs/dbraw/zinc/86/37/37/1022863737.db2.gz NBLDJJNPJAKOHR-UHFFFAOYSA-N 1 2 326.787 3.719 20 30 EHEDLO Cc1cc(NCCNc2cccc[nH+]2)n2c3ccccc3nc2c1C#N ZINC000026136748 1033105423 /nfs/dbraw/zinc/10/54/23/1033105423.db2.gz AJEYALRRZVIZJR-UHFFFAOYSA-N 1 2 342.406 3.587 20 30 EHEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000594010470 1033156925 /nfs/dbraw/zinc/15/69/25/1033156925.db2.gz JJVFVTXTEMSDHJ-QGZVFWFLSA-N 1 2 348.450 3.601 20 30 EHEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000181255664 1023874052 /nfs/dbraw/zinc/87/40/52/1023874052.db2.gz JTCUQCRBNKVYEC-UHFFFAOYSA-N 1 2 328.235 3.569 20 30 EHEDLO C=C(C)C[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000181255664 1023874060 /nfs/dbraw/zinc/87/40/60/1023874060.db2.gz JTCUQCRBNKVYEC-UHFFFAOYSA-N 1 2 328.235 3.569 20 30 EHEDLO N#Cc1c(NCCCCNc2cccc[nH+]2)nc2cc(Cl)ccn21 ZINC000342102710 1024017344 /nfs/dbraw/zinc/01/73/44/1024017344.db2.gz AITXZVINLSXFRH-UHFFFAOYSA-N 1 2 340.818 3.559 20 30 EHEDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1coc(C2CCCC2)n1 ZINC000329903002 1024241372 /nfs/dbraw/zinc/24/13/72/1024241372.db2.gz IBDVKCFKYFXLBK-UHFFFAOYSA-N 1 2 345.468 3.757 20 30 EHEDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1coc(C2CCCC2)n1 ZINC000329903002 1024241388 /nfs/dbraw/zinc/24/13/88/1024241388.db2.gz IBDVKCFKYFXLBK-UHFFFAOYSA-N 1 2 345.468 3.757 20 30 EHEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330140609 1024333657 /nfs/dbraw/zinc/33/36/57/1024333657.db2.gz XDEVHQZWJYYOGA-FUHIMQAGSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330140609 1024333665 /nfs/dbraw/zinc/33/36/65/1024333665.db2.gz XDEVHQZWJYYOGA-FUHIMQAGSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000330161913 1024339078 /nfs/dbraw/zinc/33/90/78/1024339078.db2.gz SBGBTCGLTVBGDB-HNNXBMFYSA-N 1 2 338.455 3.561 20 30 EHEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000330161913 1024339092 /nfs/dbraw/zinc/33/90/92/1024339092.db2.gz SBGBTCGLTVBGDB-HNNXBMFYSA-N 1 2 338.455 3.561 20 30 EHEDLO O=C(C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1)NCC1CCCCC1 ZINC000330191397 1024350244 /nfs/dbraw/zinc/35/02/44/1024350244.db2.gz MZVFRXHOQMEBEC-MRXNPFEDSA-N 1 2 349.450 3.601 20 30 EHEDLO O=C(C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1)NCC1CCCCC1 ZINC000330191397 1024350255 /nfs/dbraw/zinc/35/02/55/1024350255.db2.gz MZVFRXHOQMEBEC-MRXNPFEDSA-N 1 2 349.450 3.601 20 30 EHEDLO CC(=[NH+]Nc1cccc2cnccc21)c1cccc(N2CCOCC2)c1 ZINC000728432606 1024358174 /nfs/dbraw/zinc/35/81/74/1024358174.db2.gz YTIIOMNCSVLBEO-UHFFFAOYSA-N 1 2 346.434 3.908 20 30 EHEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000434796047 1024430822 /nfs/dbraw/zinc/43/08/22/1024430822.db2.gz OZWMJGGIGXIOAZ-PMACEKPBSA-N 1 2 334.419 3.745 20 30 EHEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000434796047 1024430832 /nfs/dbraw/zinc/43/08/32/1024430832.db2.gz OZWMJGGIGXIOAZ-PMACEKPBSA-N 1 2 334.419 3.745 20 30 EHEDLO N#CC1(CCC[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)CCOCC1 ZINC000281919195 1024457914 /nfs/dbraw/zinc/45/79/14/1024457914.db2.gz HCZLHKJXKSVUTQ-GOSISDBHSA-N 1 2 348.874 3.814 20 30 EHEDLO N#CC1(CCC[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)CCOCC1 ZINC000281919195 1024457920 /nfs/dbraw/zinc/45/79/20/1024457920.db2.gz HCZLHKJXKSVUTQ-GOSISDBHSA-N 1 2 348.874 3.814 20 30 EHEDLO C[NH+](C)Cc1csc(CNc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000895484678 1024561689 /nfs/dbraw/zinc/56/16/89/1024561689.db2.gz SYQUMMOFUCHSDQ-UHFFFAOYSA-N 1 2 340.374 3.707 20 30 EHEDLO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccco1 ZINC000346320892 1024622139 /nfs/dbraw/zinc/62/21/39/1024622139.db2.gz TXRJXGYOHYAHPV-UHFFFAOYSA-N 1 2 331.803 3.654 20 30 EHEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccco1 ZINC000346320892 1024622143 /nfs/dbraw/zinc/62/21/43/1024622143.db2.gz TXRJXGYOHYAHPV-UHFFFAOYSA-N 1 2 331.803 3.654 20 30 EHEDLO CC[C@@H](C#N)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000127000587 1024750460 /nfs/dbraw/zinc/75/04/60/1024750460.db2.gz YAYMMZYDCJYVHF-RISCZKNCSA-N 1 2 349.891 3.938 20 30 EHEDLO C=CCC1(O)CC[NH+](Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000895828177 1024865124 /nfs/dbraw/zinc/86/51/24/1024865124.db2.gz SMDIZWUBBFAIFI-UHFFFAOYSA-N 1 2 333.325 3.627 20 30 EHEDLO COc1cccc(NC2CC[NH+](Cc3cccc(F)c3C#N)CC2)c1 ZINC000428229150 1025065020 /nfs/dbraw/zinc/06/50/20/1025065020.db2.gz MMZRJIIHYOLDNN-UHFFFAOYSA-N 1 2 339.414 3.782 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000428248158 1025254530 /nfs/dbraw/zinc/25/45/30/1025254530.db2.gz BIMKIXGMQMBIOT-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000428248158 1025254541 /nfs/dbraw/zinc/25/45/41/1025254541.db2.gz BIMKIXGMQMBIOT-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO CC(C)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1F ZINC000521195575 1025268449 /nfs/dbraw/zinc/26/84/49/1025268449.db2.gz IOPCOTNICMYOFA-UHFFFAOYSA-N 1 2 345.462 3.721 20 30 EHEDLO CC(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1F ZINC000521195575 1025268461 /nfs/dbraw/zinc/26/84/61/1025268461.db2.gz IOPCOTNICMYOFA-UHFFFAOYSA-N 1 2 345.462 3.721 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CCF)CC1 ZINC000602946944 1033273280 /nfs/dbraw/zinc/27/32/80/1033273280.db2.gz FTCMWDUCOQJABA-GFCCVEGCSA-N 1 2 349.475 3.507 20 30 EHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436154660 1025421682 /nfs/dbraw/zinc/42/16/82/1025421682.db2.gz SCPNJYCBUHTUPT-VIFPVBQESA-N 1 2 348.615 3.536 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436154660 1025421693 /nfs/dbraw/zinc/42/16/93/1025421693.db2.gz SCPNJYCBUHTUPT-VIFPVBQESA-N 1 2 348.615 3.536 20 30 EHEDLO C=CCCCN(CC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000896479082 1025485582 /nfs/dbraw/zinc/48/55/82/1025485582.db2.gz KEVHRXVEIWZIOQ-GOSISDBHSA-N 1 2 326.444 3.622 20 30 EHEDLO CC1=CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000436254149 1025512531 /nfs/dbraw/zinc/51/25/31/1025512531.db2.gz PRPZIFUKMIEJNH-OAHLLOKOSA-N 1 2 329.469 3.529 20 30 EHEDLO CC1=CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000436254149 1025512541 /nfs/dbraw/zinc/51/25/41/1025512541.db2.gz PRPZIFUKMIEJNH-OAHLLOKOSA-N 1 2 329.469 3.529 20 30 EHEDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CCCOC1 ZINC000329118931 1025612327 /nfs/dbraw/zinc/61/23/27/1025612327.db2.gz VEGCYISOKBBUEJ-CQSZACIVSA-N 1 2 325.412 3.901 20 30 EHEDLO NC(=[NH+]OCc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000048376215 1025677428 /nfs/dbraw/zinc/67/74/28/1025677428.db2.gz WAYAIAMXDDUFHG-UHFFFAOYSA-N 1 2 341.155 3.564 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c(C#N)c1C ZINC000026483578 1025783993 /nfs/dbraw/zinc/78/39/93/1025783993.db2.gz TUFVTICLJDJEHA-IUODEOHRSA-N 1 2 343.452 3.994 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2cccs2)c(C#N)c1C ZINC000026483578 1025784011 /nfs/dbraw/zinc/78/40/11/1025784011.db2.gz TUFVTICLJDJEHA-IUODEOHRSA-N 1 2 343.452 3.994 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000522006586 1025879686 /nfs/dbraw/zinc/87/96/86/1025879686.db2.gz SPDJNNSZQLZNQW-KBPBESRZSA-N 1 2 328.441 3.867 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000096969264 1026076132 /nfs/dbraw/zinc/07/61/32/1026076132.db2.gz YEEYDSMHNTZYBM-UHFFFAOYSA-N 1 2 342.439 3.731 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000304341712 1026187148 /nfs/dbraw/zinc/18/71/48/1026187148.db2.gz YXLACNVFICQVIL-AYOQOUSVSA-N 1 2 342.389 3.770 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000304341712 1026187159 /nfs/dbraw/zinc/18/71/59/1026187159.db2.gz YXLACNVFICQVIL-AYOQOUSVSA-N 1 2 342.389 3.770 20 30 EHEDLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000582644595 1026859773 /nfs/dbraw/zinc/85/97/73/1026859773.db2.gz DPZRBAJCYDSMJC-WMLDXEAASA-N 1 2 326.469 3.879 20 30 EHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000582644595 1026859783 /nfs/dbraw/zinc/85/97/83/1026859783.db2.gz DPZRBAJCYDSMJC-WMLDXEAASA-N 1 2 326.469 3.879 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273111152 1027273518 /nfs/dbraw/zinc/27/35/18/1027273518.db2.gz NUESOGAYKYGGFU-KRWDZBQOSA-N 1 2 330.378 3.589 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000255558043 1027936737 /nfs/dbraw/zinc/93/67/37/1027936737.db2.gz OYYMZBNOYMYVBV-UHFFFAOYSA-N 1 2 339.395 3.689 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000113357677 1027961633 /nfs/dbraw/zinc/96/16/33/1027961633.db2.gz LZQBWUUZIGPXMI-GOSISDBHSA-N 1 2 339.439 3.836 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000153564924 1028029916 /nfs/dbraw/zinc/02/99/16/1028029916.db2.gz CNMRYBICQRIYEO-UHFFFAOYSA-N 1 2 330.476 3.570 20 30 EHEDLO Cc1cccnc1[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000440465102 1028061221 /nfs/dbraw/zinc/06/12/21/1028061221.db2.gz IMVWVDYMSSATEW-GOSISDBHSA-N 1 2 347.422 3.799 20 30 EHEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(C)n1 ZINC000444766099 1028252038 /nfs/dbraw/zinc/25/20/38/1028252038.db2.gz LADXQLXVEMPXLZ-UHFFFAOYSA-N 1 2 340.858 3.546 20 30 EHEDLO Cc1cc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)ccc1C#N ZINC000475620152 1028510977 /nfs/dbraw/zinc/51/09/77/1028510977.db2.gz BPUFRVPUQRZABS-MRXNPFEDSA-N 1 2 335.234 3.997 20 30 EHEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246585584 1028664993 /nfs/dbraw/zinc/66/49/93/1028664993.db2.gz STMFCMRWPIPRPS-TZMCWYRMSA-N 1 2 338.238 3.890 20 30 EHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246585584 1028665003 /nfs/dbraw/zinc/66/50/03/1028665003.db2.gz STMFCMRWPIPRPS-TZMCWYRMSA-N 1 2 338.238 3.890 20 30 EHEDLO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)s2)nnn1-c1ccc(C)cc1 ZINC000421875281 1028878375 /nfs/dbraw/zinc/87/83/75/1028878375.db2.gz IVLIPIWWYAERDG-CYBMUJFWSA-N 1 2 337.452 3.668 20 30 EHEDLO C=C(C)COc1cc(C[NH2+]Cc2nnc(C3CC3)s2)ccc1OC ZINC000414559144 1028924474 /nfs/dbraw/zinc/92/44/74/1028924474.db2.gz UKFQGQOJNGVFBJ-UHFFFAOYSA-N 1 2 345.468 3.669 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OC(C)(C)C)CC2)c1C ZINC000162255977 1029510359 /nfs/dbraw/zinc/51/03/59/1029510359.db2.gz NXVNKPKMNODGEY-UHFFFAOYSA-N 1 2 332.488 3.753 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000192184713 1029621189 /nfs/dbraw/zinc/62/11/89/1029621189.db2.gz QBAWPFMIJKHJKW-NSHDSACASA-N 1 2 340.333 3.737 20 30 EHEDLO Cc1cccc(CCCNc2c(C#N)cnc3ccc(Cl)cc32)[nH+]1 ZINC000343227464 1029827327 /nfs/dbraw/zinc/82/73/27/1029827327.db2.gz WLMYJDJALBEEJL-UHFFFAOYSA-N 1 2 336.826 3.930 20 30 EHEDLO CC(C)(C)c1ccc(-c2noc([C@@H]3CC[NH2+]CC3(F)F)n2)c(C#N)c1 ZINC001211580972 1029832511 /nfs/dbraw/zinc/83/25/11/1029832511.db2.gz WUSNJDHLIJAPED-AWEZNQCLSA-N 1 2 346.381 3.618 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000340424672 1029872447 /nfs/dbraw/zinc/87/24/47/1029872447.db2.gz KJTMZBXLKWIMPU-WDEREUQCSA-N 1 2 331.217 3.523 20 30 EHEDLO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1cccs1)c1cccc(C#N)c1O ZINC000925300803 1029964861 /nfs/dbraw/zinc/96/48/61/1029964861.db2.gz XXDNEOIUXSMEEE-KCXAZCMYSA-N 1 2 330.453 3.878 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)Cc1ccccc1C)Cc1cccs1 ZINC000525782753 1030117773 /nfs/dbraw/zinc/11/77/73/1030117773.db2.gz IALFVWCEZQQCBJ-QGZVFWFLSA-N 1 2 342.508 3.792 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@H](C)Cc1ccccc1C)Cc1cccs1 ZINC000525782753 1030117781 /nfs/dbraw/zinc/11/77/81/1030117781.db2.gz IALFVWCEZQQCBJ-QGZVFWFLSA-N 1 2 342.508 3.792 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000532153547 1030441986 /nfs/dbraw/zinc/44/19/86/1030441986.db2.gz VYPNIWCTXRGUEB-PXNSSMCTSA-N 1 2 339.483 3.583 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000532153547 1030441995 /nfs/dbraw/zinc/44/19/95/1030441995.db2.gz VYPNIWCTXRGUEB-PXNSSMCTSA-N 1 2 339.483 3.583 20 30 EHEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1cccc(Cl)c1 ZINC000160183193 1030582881 /nfs/dbraw/zinc/58/28/81/1030582881.db2.gz IRAUWQFXKOEPTR-UHFFFAOYSA-N 1 2 345.859 3.773 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760539173 1031109106 /nfs/dbraw/zinc/10/91/06/1031109106.db2.gz SPZQAQGCZHZANC-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760539173 1031109113 /nfs/dbraw/zinc/10/91/13/1031109113.db2.gz SPZQAQGCZHZANC-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO CC1=C(C)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000483368442 1031132696 /nfs/dbraw/zinc/13/26/96/1031132696.db2.gz CGBIZOQWQDWSIF-UHFFFAOYSA-N 1 2 343.496 3.869 20 30 EHEDLO CC1=C(C)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000483368442 1031132707 /nfs/dbraw/zinc/13/27/07/1031132707.db2.gz CGBIZOQWQDWSIF-UHFFFAOYSA-N 1 2 343.496 3.869 20 30 EHEDLO COCc1cc(C#N)ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000603280513 1033503483 /nfs/dbraw/zinc/50/34/83/1033503483.db2.gz XCRXOVKNOOFQKE-UHFFFAOYSA-N 1 2 336.439 3.702 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594735908 1033507184 /nfs/dbraw/zinc/50/71/84/1033507184.db2.gz YWGBNHYGHHPROJ-UHFFFAOYSA-N 1 2 332.407 3.931 20 30 EHEDLO N#CC1(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CCCCC1 ZINC000594981003 1033616976 /nfs/dbraw/zinc/61/69/76/1033616976.db2.gz FGCPLIFVERMXAM-UHFFFAOYSA-N 1 2 347.890 3.740 20 30 EHEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)cc1 ZINC000599345355 1033881422 /nfs/dbraw/zinc/88/14/22/1033881422.db2.gz OYCRSTPIVDINOI-UHFFFAOYSA-N 1 2 348.450 3.525 20 30 EHEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)n1 ZINC000599371138 1033891132 /nfs/dbraw/zinc/89/11/32/1033891132.db2.gz MBNGASBMZOJAIS-CQSZACIVSA-N 1 2 348.406 3.776 20 30 EHEDLO N#Cc1sccc1N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000595629853 1033909167 /nfs/dbraw/zinc/90/91/67/1033909167.db2.gz NYUHYWYSDXEKOO-UHFFFAOYSA-N 1 2 333.407 3.880 20 30 EHEDLO CCc1sc(-c2nnc(C[N@@H+]3CCC[C@H](CC#N)C3)o2)cc1C ZINC000595610178 1033919309 /nfs/dbraw/zinc/91/93/09/1033919309.db2.gz STQOHRUQDOGMMX-CYBMUJFWSA-N 1 2 330.457 3.795 20 30 EHEDLO CCc1sc(-c2nnc(C[N@H+]3CCC[C@H](CC#N)C3)o2)cc1C ZINC000595610178 1033919316 /nfs/dbraw/zinc/91/93/16/1033919316.db2.gz STQOHRUQDOGMMX-CYBMUJFWSA-N 1 2 330.457 3.795 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595615785 1033926225 /nfs/dbraw/zinc/92/62/25/1033926225.db2.gz SXNMRTUSHYXEKL-XUSGNXJCSA-N 1 2 345.295 3.727 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595615785 1033926240 /nfs/dbraw/zinc/92/62/40/1033926240.db2.gz SXNMRTUSHYXEKL-XUSGNXJCSA-N 1 2 345.295 3.727 20 30 EHEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCCCC(C)(C)C#N ZINC000595678957 1033927790 /nfs/dbraw/zinc/92/77/90/1033927790.db2.gz VBMNVKPSVJTHGC-KRWDZBQOSA-N 1 2 332.444 3.561 20 30 EHEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000595678957 1033927805 /nfs/dbraw/zinc/92/78/05/1033927805.db2.gz VBMNVKPSVJTHGC-KRWDZBQOSA-N 1 2 332.444 3.561 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC(F)(F)CC2)c1C#N ZINC000599552568 1034006662 /nfs/dbraw/zinc/00/66/62/1034006662.db2.gz KZGCIZFQHROZPQ-UHFFFAOYSA-N 1 2 330.382 3.674 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC(F)(F)CC2)c1C#N ZINC000599552568 1034006678 /nfs/dbraw/zinc/00/66/78/1034006678.db2.gz KZGCIZFQHROZPQ-UHFFFAOYSA-N 1 2 330.382 3.674 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3cccc(Cl)c3O)CCOCC2)cc1 ZINC000529682059 1034421932 /nfs/dbraw/zinc/42/19/32/1034421932.db2.gz ZXAZKXHNHZNPCD-UHFFFAOYSA-N 1 2 342.826 3.713 20 30 EHEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](c4cccc(F)c4)C3)cc2)CC1 ZINC000596997771 1034499637 /nfs/dbraw/zinc/49/96/37/1034499637.db2.gz HXVGGROFUGFDNQ-FQEVSTJZSA-N 1 2 336.410 3.954 20 30 EHEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@H](c4cccc(F)c4)C3)cc2)CC1 ZINC000596997771 1034499643 /nfs/dbraw/zinc/49/96/43/1034499643.db2.gz HXVGGROFUGFDNQ-FQEVSTJZSA-N 1 2 336.410 3.954 20 30 EHEDLO CCCCn1c(S[C@@H]2CC[C@@H](C#N)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000450586076 1034550181 /nfs/dbraw/zinc/55/01/81/1034550181.db2.gz BCANDZQYOQDROI-RBSFLKMASA-N 1 2 335.521 3.875 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OC ZINC000121291979 1034636071 /nfs/dbraw/zinc/63/60/71/1034636071.db2.gz KVSCFQARXONQMM-QGZVFWFLSA-N 1 2 341.455 3.753 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OC ZINC000121291979 1034636083 /nfs/dbraw/zinc/63/60/83/1034636083.db2.gz KVSCFQARXONQMM-QGZVFWFLSA-N 1 2 341.455 3.753 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406926 1034898061 /nfs/dbraw/zinc/89/80/61/1034898061.db2.gz XFIAXMQKCIQKRI-LJQANCHMSA-N 1 2 326.419 3.754 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406926 1034898069 /nfs/dbraw/zinc/89/80/69/1034898069.db2.gz XFIAXMQKCIQKRI-LJQANCHMSA-N 1 2 326.419 3.754 20 30 EHEDLO C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1cc(C#N)ccc1F ZINC000030972253 1036329683 /nfs/dbraw/zinc/32/96/83/1036329683.db2.gz OCZYSOMDSLNSLB-UHFFFAOYSA-N 1 2 346.789 3.754 20 30 EHEDLO C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)Cc1cc(C#N)ccc1F ZINC000030972253 1036329701 /nfs/dbraw/zinc/32/97/01/1036329701.db2.gz OCZYSOMDSLNSLB-UHFFFAOYSA-N 1 2 346.789 3.754 20 30 EHEDLO COc1ccccc1[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccn1 ZINC000089797271 1036663824 /nfs/dbraw/zinc/66/38/24/1036663824.db2.gz UBVQDVBVJPCDQS-LJQANCHMSA-N 1 2 335.432 3.903 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000491271492 1037014034 /nfs/dbraw/zinc/01/40/34/1037014034.db2.gz OPJQIDSXRLLYAY-UHFFFAOYSA-N 1 2 336.794 3.741 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000491271492 1037014054 /nfs/dbraw/zinc/01/40/54/1037014054.db2.gz OPJQIDSXRLLYAY-UHFFFAOYSA-N 1 2 336.794 3.741 20 30 EHEDLO CCOc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000180677526 1037073299 /nfs/dbraw/zinc/07/32/99/1037073299.db2.gz BEPZYHIAZVYXOM-CQSZACIVSA-N 1 2 348.406 3.858 20 30 EHEDLO Cc1ccccc1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000170953834 1037392643 /nfs/dbraw/zinc/39/26/43/1037392643.db2.gz QVPYQSJCHKVDCB-UHFFFAOYSA-N 1 2 339.464 3.746 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1F ZINC000491423352 1037451898 /nfs/dbraw/zinc/45/18/98/1037451898.db2.gz MXRJRWVKMNVNKD-UHFFFAOYSA-N 1 2 336.794 3.741 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1F ZINC000491423352 1037451905 /nfs/dbraw/zinc/45/19/05/1037451905.db2.gz MXRJRWVKMNVNKD-UHFFFAOYSA-N 1 2 336.794 3.741 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000540055981 1037522530 /nfs/dbraw/zinc/52/25/30/1037522530.db2.gz MIJGZSOOHGBENN-UHFFFAOYSA-N 1 2 341.476 3.978 20 30 EHEDLO C=CC[N@H+](Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)C1CC1 ZINC000540055981 1037522545 /nfs/dbraw/zinc/52/25/45/1037522545.db2.gz MIJGZSOOHGBENN-UHFFFAOYSA-N 1 2 341.476 3.978 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C(C)C ZINC000491630968 1037596643 /nfs/dbraw/zinc/59/66/43/1037596643.db2.gz QTWQEVDVPJZEOE-SFHVURJKSA-N 1 2 341.480 3.884 20 30 EHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)nc1C ZINC000151782713 1037649341 /nfs/dbraw/zinc/64/93/41/1037649341.db2.gz XEISCIROJDLXFW-DGCLKSJQSA-N 1 2 343.452 3.912 20 30 EHEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000592074728 1037829442 /nfs/dbraw/zinc/82/94/42/1037829442.db2.gz MMDXVNWTYAICQL-OAHLLOKOSA-N 1 2 348.233 3.913 20 30 EHEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000592074728 1037829465 /nfs/dbraw/zinc/82/94/65/1037829465.db2.gz MMDXVNWTYAICQL-OAHLLOKOSA-N 1 2 348.233 3.913 20 30 EHEDLO COc1cccc(-c2nc(CO[NH+]=C(N)c3ccccc3)cs2)c1 ZINC000014234681 1038709316 /nfs/dbraw/zinc/70/93/16/1038709316.db2.gz BUDWTMVOJZYABS-UHFFFAOYSA-N 1 2 339.420 3.656 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488303325 1039068562 /nfs/dbraw/zinc/06/85/62/1039068562.db2.gz UPLUAQODSCQUAW-NRFANRHFSA-N 1 2 348.425 3.689 20 30 EHEDLO C=C[C@@H]1CCCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000488310472 1039074377 /nfs/dbraw/zinc/07/43/77/1039074377.db2.gz GMAGQKYYZHMMIU-VQIMIIECSA-N 1 2 343.471 3.652 20 30 EHEDLO C=CC[C@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000626222590 1039095399 /nfs/dbraw/zinc/09/53/99/1039095399.db2.gz NPLZLRAVRTVWQS-AWEZNQCLSA-N 1 2 334.489 3.559 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907677735 1040127389 /nfs/dbraw/zinc/12/73/89/1040127389.db2.gz ROMCKIIWUIBKIJ-VKAVYKQESA-N 1 2 342.483 3.756 20 30 EHEDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000566532041 1040334706 /nfs/dbraw/zinc/33/47/06/1040334706.db2.gz JUZZXVPNIAVGGT-PMACEKPBSA-N 1 2 328.419 3.658 20 30 EHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cnn(CC2CCC2)c1 ZINC000899425832 1040490285 /nfs/dbraw/zinc/49/02/85/1040490285.db2.gz KZRQYDLLGLAVAK-PLNGDYQASA-N 1 2 338.436 3.827 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491128628 1040940030 /nfs/dbraw/zinc/94/00/30/1040940030.db2.gz BIJVJEDDQYHQGQ-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491128628 1040940045 /nfs/dbraw/zinc/94/00/45/1040940045.db2.gz BIJVJEDDQYHQGQ-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)c(C#N)c1C ZINC000433262900 1041176014 /nfs/dbraw/zinc/17/60/14/1041176014.db2.gz SLMWCHGTPIHMIP-UHFFFAOYSA-N 1 2 349.793 3.631 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)c(C#N)c1C ZINC000433262900 1041176022 /nfs/dbraw/zinc/17/60/22/1041176022.db2.gz SLMWCHGTPIHMIP-UHFFFAOYSA-N 1 2 349.793 3.631 20 30 EHEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000555870265 1041258025 /nfs/dbraw/zinc/25/80/25/1041258025.db2.gz ZRVJZCNSPTZQAV-MRXNPFEDSA-N 1 2 330.472 3.503 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1 ZINC000661529890 1042171430 /nfs/dbraw/zinc/17/14/30/1042171430.db2.gz CYKBSQOVIKIZHX-UHFFFAOYSA-N 1 2 330.476 3.825 20 30 EHEDLO C=C[C@H](CO)[NH2+][C@@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000662168287 1042559479 /nfs/dbraw/zinc/55/94/79/1042559479.db2.gz AGPXOTZRBQZRNB-GXSJLCMTSA-N 1 2 327.211 3.846 20 30 EHEDLO Clc1ccccc1C#CCNc1ccccc1C[NH+]1CCOCC1 ZINC000163089354 1043333603 /nfs/dbraw/zinc/33/36/03/1043333603.db2.gz ARZGRXGAYRKTOO-UHFFFAOYSA-N 1 2 340.854 3.636 20 30 EHEDLO CCn1ccc(C[N@H+](C)Cc2cc(C#N)ccc2Br)c1 ZINC000617228004 1043729505 /nfs/dbraw/zinc/72/95/05/1043729505.db2.gz KGGJJBMSOVKKHO-UHFFFAOYSA-N 1 2 332.245 3.774 20 30 EHEDLO CCn1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)c1 ZINC000617228004 1043729515 /nfs/dbraw/zinc/72/95/15/1043729515.db2.gz KGGJJBMSOVKKHO-UHFFFAOYSA-N 1 2 332.245 3.774 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180591994 1127175218 /nfs/dbraw/zinc/17/52/18/1127175218.db2.gz GOGSAEBTURLZOR-AWEZNQCLSA-N 1 2 330.407 3.555 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000764884842 1127547978 /nfs/dbraw/zinc/54/79/78/1127547978.db2.gz KSWVIANZCMSAHC-CQSZACIVSA-N 1 2 331.489 3.596 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000764884842 1127547980 /nfs/dbraw/zinc/54/79/80/1127547980.db2.gz KSWVIANZCMSAHC-CQSZACIVSA-N 1 2 331.489 3.596 20 30 EHEDLO C[C@H](C#N)Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000032875830 1127859047 /nfs/dbraw/zinc/85/90/47/1127859047.db2.gz VCGQOMMDNLPRNO-HUUCEWRRSA-N 1 2 341.484 3.818 20 30 EHEDLO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000186330640 1128390753 /nfs/dbraw/zinc/39/07/53/1128390753.db2.gz OLLIPFSQUSRHRU-CYBMUJFWSA-N 1 2 336.370 3.907 20 30 EHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000302810814 1128649352 /nfs/dbraw/zinc/64/93/52/1128649352.db2.gz WJFWSBHBPAUEDM-UHFFFAOYSA-N 1 2 345.368 3.899 20 30 EHEDLO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000189978540 1120619551 /nfs/dbraw/zinc/61/95/51/1120619551.db2.gz QEWXSWUOVCYBLX-NWDGAFQWSA-N 1 2 336.233 3.552 20 30 EHEDLO COc1cc(F)ccc1N[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000761890007 1121003355 /nfs/dbraw/zinc/00/33/55/1121003355.db2.gz JOFNZEGJFSAFNU-UHFFFAOYSA-N 1 2 343.402 3.976 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000153314004 1121665812 /nfs/dbraw/zinc/66/58/12/1121665812.db2.gz JNLSFYVPBHXSND-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(F)c1 ZINC000153314004 1121665814 /nfs/dbraw/zinc/66/58/14/1121665814.db2.gz JNLSFYVPBHXSND-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO CCCCN[NH+]=Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000901169790 1121953285 /nfs/dbraw/zinc/95/32/85/1121953285.db2.gz NXPBOTXTSYTPDM-UHFFFAOYSA-N 1 2 349.475 3.561 20 30 EHEDLO CC[C@@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000127017586 1122456806 /nfs/dbraw/zinc/45/68/06/1122456806.db2.gz GFXOALNTRIMITO-INIZCTEOSA-N 1 2 341.484 3.647 20 30 EHEDLO CC[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000917103822 1122501308 /nfs/dbraw/zinc/50/13/08/1122501308.db2.gz RGDAUGBWUCKLTQ-KGLIPLIRSA-N 1 2 327.453 3.595 20 30 EHEDLO CC[N@@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)o1)C[C@H](C)C#N ZINC000132223320 1123210952 /nfs/dbraw/zinc/21/09/52/1123210952.db2.gz XIIFXIIIOPCMLX-CQSZACIVSA-N 1 2 326.396 3.715 20 30 EHEDLO CC[N@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)o1)C[C@H](C)C#N ZINC000132223320 1123210953 /nfs/dbraw/zinc/21/09/53/1123210953.db2.gz XIIFXIIIOPCMLX-CQSZACIVSA-N 1 2 326.396 3.715 20 30 EHEDLO CCn1c[nH+]cc1/C=C1/Cc2cc(Br)cc(C)c2C1=O ZINC000901499707 1124974723 /nfs/dbraw/zinc/97/47/23/1124974723.db2.gz KITJCHYUGVCKFN-GHXNOFRVSA-N 1 2 331.213 3.796 20 30 EHEDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000181828482 1125054073 /nfs/dbraw/zinc/05/40/73/1125054073.db2.gz JEXQWTGGHWLUCC-IBGZPJMESA-N 1 2 340.398 3.870 20 30 EHEDLO FC(F)(F)COCC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618615350 1125134419 /nfs/dbraw/zinc/13/44/19/1125134419.db2.gz NYYZEPQVESMGGW-HTQZYQBOSA-N 1 2 347.221 3.628 20 30 EHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117598963 1129454223 /nfs/dbraw/zinc/45/42/23/1129454223.db2.gz SFYBOKMZPIPJQE-UHFFFAOYSA-N 1 2 344.418 3.795 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1OC ZINC000922527890 1129563003 /nfs/dbraw/zinc/56/30/03/1129563003.db2.gz ZWLYUYSZTBUEMN-JXFKEZNVSA-N 1 2 343.398 3.821 20 30 EHEDLO CN(CCC#N)c1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922527833 1129563115 /nfs/dbraw/zinc/56/31/15/1129563115.db2.gz YNQPFLVKGRUDJR-UYAOXDASSA-N 1 2 339.414 3.598 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000245918855 1130331248 /nfs/dbraw/zinc/33/12/48/1130331248.db2.gz NNAWIEQSTWMOBH-UGSOOPFHSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000245918855 1130331255 /nfs/dbraw/zinc/33/12/55/1130331255.db2.gz NNAWIEQSTWMOBH-UGSOOPFHSA-N 1 2 328.437 3.590 20 30 EHEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000730146801 1130678516 /nfs/dbraw/zinc/67/85/16/1130678516.db2.gz GTGGKIMIEIZFGE-SFHVURJKSA-N 1 2 347.418 3.661 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](CC)c2ccc(F)cc2F)c1 ZINC000738302887 1131467530 /nfs/dbraw/zinc/46/75/30/1131467530.db2.gz AXABJJACTACETD-IBGZPJMESA-N 1 2 342.389 3.968 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](CC)c2ccc(F)cc2F)c1 ZINC000738302887 1131467532 /nfs/dbraw/zinc/46/75/32/1131467532.db2.gz AXABJJACTACETD-IBGZPJMESA-N 1 2 342.389 3.968 20 30 EHEDLO N#CCCCOc1cccc(NC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000738948298 1131490751 /nfs/dbraw/zinc/49/07/51/1131490751.db2.gz GTHSYKTXRKSVBW-UHFFFAOYSA-N 1 2 335.367 3.661 20 30 EHEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000743450628 1131920308 /nfs/dbraw/zinc/92/03/08/1131920308.db2.gz UPVJNGDNVYMLMG-UHFFFAOYSA-N 1 2 348.809 3.547 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H]3CC4(CO3)CCCCC4)CCO2)c1 ZINC001168902094 1132588835 /nfs/dbraw/zinc/58/88/35/1132588835.db2.gz FTAWVPHDJBSINZ-WOJBJXKFSA-N 1 2 340.467 3.671 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H]3CC4(CO3)CCCCC4)CCO2)c1 ZINC001168902094 1132588839 /nfs/dbraw/zinc/58/88/39/1132588839.db2.gz FTAWVPHDJBSINZ-WOJBJXKFSA-N 1 2 340.467 3.671 20 30 EHEDLO C=CCn1cc(Nc2c(C)[nH+]c3c(Br)cc(C)cn23)cn1 ZINC001176546084 1132953526 /nfs/dbraw/zinc/95/35/26/1132953526.db2.gz NJMIWIPRVYYOGK-UHFFFAOYSA-N 1 2 346.232 3.840 20 30 EHEDLO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001178690043 1133191655 /nfs/dbraw/zinc/19/16/55/1133191655.db2.gz JHZKXZQCJYOGNS-OAHLLOKOSA-N 1 2 343.427 3.849 20 30 EHEDLO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001178690043 1133191659 /nfs/dbraw/zinc/19/16/59/1133191659.db2.gz JHZKXZQCJYOGNS-OAHLLOKOSA-N 1 2 343.427 3.849 20 30 EHEDLO C#CCCOc1ccc(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000768918886 1133203371 /nfs/dbraw/zinc/20/33/71/1133203371.db2.gz MXNULXJRJFLCTH-UHFFFAOYSA-N 1 2 345.446 3.906 20 30 EHEDLO C#CCCOc1ccc(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000768918886 1133203377 /nfs/dbraw/zinc/20/33/77/1133203377.db2.gz MXNULXJRJFLCTH-UHFFFAOYSA-N 1 2 345.446 3.906 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1Cl ZINC000769297684 1133255944 /nfs/dbraw/zinc/25/59/44/1133255944.db2.gz HSDLCEPJASANAS-MRXNPFEDSA-N 1 2 337.847 3.632 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1Cl ZINC000769297684 1133255949 /nfs/dbraw/zinc/25/59/49/1133255949.db2.gz HSDLCEPJASANAS-MRXNPFEDSA-N 1 2 337.847 3.632 20 30 EHEDLO CC(=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1ccccc1N(C)C ZINC000769569921 1133316323 /nfs/dbraw/zinc/31/63/23/1133316323.db2.gz MHPLFKVNFRTNGU-UHFFFAOYSA-N 1 2 329.354 3.743 20 30 EHEDLO C#CC[N@@H+](Cc1cnn(-c2ccccc2C)c1)Cc1ccc(F)cc1 ZINC001180031102 1133319301 /nfs/dbraw/zinc/31/93/01/1133319301.db2.gz VGZQNESETBYHAH-UHFFFAOYSA-N 1 2 333.410 3.955 20 30 EHEDLO C#CC[N@H+](Cc1cnn(-c2ccccc2C)c1)Cc1ccc(F)cc1 ZINC001180031102 1133319307 /nfs/dbraw/zinc/31/93/07/1133319307.db2.gz VGZQNESETBYHAH-UHFFFAOYSA-N 1 2 333.410 3.955 20 30 EHEDLO CC1(C)Cc2cccc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)c2O1 ZINC000770389161 1133428600 /nfs/dbraw/zinc/42/86/00/1133428600.db2.gz CJDSSZKUAHABMZ-HXUWFJFHSA-N 1 2 348.446 3.845 20 30 EHEDLO CC1(C)Cc2cccc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)c2O1 ZINC000770389161 1133428605 /nfs/dbraw/zinc/42/86/05/1133428605.db2.gz CJDSSZKUAHABMZ-HXUWFJFHSA-N 1 2 348.446 3.845 20 30 EHEDLO CCc1cccc(F)c1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC001182865211 1133741203 /nfs/dbraw/zinc/74/12/03/1133741203.db2.gz VBJWJRJNKXCFQR-UHFFFAOYSA-N 1 2 329.444 3.643 20 30 EHEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829634 1133862471 /nfs/dbraw/zinc/86/24/71/1133862471.db2.gz PXIFZEQXXSIGJP-HLIPFELVSA-N 1 2 339.483 3.702 20 30 EHEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829634 1133862480 /nfs/dbraw/zinc/86/24/80/1133862480.db2.gz PXIFZEQXXSIGJP-HLIPFELVSA-N 1 2 339.483 3.702 20 30 EHEDLO Cc1ccc(F)c(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001185221796 1134052522 /nfs/dbraw/zinc/05/25/22/1134052522.db2.gz WYGLYHNJOQRAIB-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO Cc1ccc(F)c(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001185221796 1134052529 /nfs/dbraw/zinc/05/25/29/1134052529.db2.gz WYGLYHNJOQRAIB-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000789449608 1134275855 /nfs/dbraw/zinc/27/58/55/1134275855.db2.gz IAIANINAKPHHBJ-CBBWQLFWSA-N 1 2 341.480 3.839 20 30 EHEDLO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000789449608 1134275861 /nfs/dbraw/zinc/27/58/61/1134275861.db2.gz IAIANINAKPHHBJ-CBBWQLFWSA-N 1 2 341.480 3.839 20 30 EHEDLO CCC#C[C@@H](C)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC001188006585 1134411276 /nfs/dbraw/zinc/41/12/76/1134411276.db2.gz PMERHIUZIBCEOZ-KGLIPLIRSA-N 1 2 346.475 3.923 20 30 EHEDLO C=CCn1c(SCc2ccc[nH+]c2N)nnc1-c1ccccc1F ZINC001188283264 1134450291 /nfs/dbraw/zinc/45/02/91/1134450291.db2.gz YULUARPIIYXANA-UHFFFAOYSA-N 1 2 341.415 3.540 20 30 EHEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(C)o1 ZINC000793247424 1134889603 /nfs/dbraw/zinc/88/96/03/1134889603.db2.gz ODBTXSJEQGAUQJ-IBGZPJMESA-N 1 2 343.858 3.932 20 30 EHEDLO CCCCCCC[C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001192915518 1135072923 /nfs/dbraw/zinc/07/29/23/1135072923.db2.gz FAMFNNMXCQCQMC-KRWDZBQOSA-N 1 2 332.492 3.662 20 30 EHEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H](CC)CO1 ZINC001195861688 1135478402 /nfs/dbraw/zinc/47/84/02/1135478402.db2.gz KMYAMFLIBYHDGV-HUUCEWRRSA-N 1 2 326.362 3.966 20 30 EHEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H](CC)CO1 ZINC001195861688 1135478405 /nfs/dbraw/zinc/47/84/05/1135478405.db2.gz KMYAMFLIBYHDGV-HUUCEWRRSA-N 1 2 326.362 3.966 20 30 EHEDLO C=C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001131135019 1135608521 /nfs/dbraw/zinc/60/85/21/1135608521.db2.gz UUDYDAJVWNYZLT-SFHVURJKSA-N 1 2 349.346 3.865 20 30 EHEDLO COC(=O)[C@@]1([NH2+]CC2CCC(C#N)CC2)CC[C@H](C)c2ccccc21 ZINC001198731689 1135849380 /nfs/dbraw/zinc/84/93/80/1135849380.db2.gz LSIMYLCEELXURL-FWTVCXRTSA-N 1 2 340.467 3.872 20 30 EHEDLO C#C[C@H](CCC)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000812969564 1136275324 /nfs/dbraw/zinc/27/53/24/1136275324.db2.gz VBJDXWJUPFNRDN-MRXNPFEDSA-N 1 2 336.439 3.810 20 30 EHEDLO C=CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000852554903 1136465935 /nfs/dbraw/zinc/46/59/35/1136465935.db2.gz YIGRZOOZYJJTBP-CYBMUJFWSA-N 1 2 327.453 3.759 20 30 EHEDLO C=CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000852554903 1136465938 /nfs/dbraw/zinc/46/59/38/1136465938.db2.gz YIGRZOOZYJJTBP-CYBMUJFWSA-N 1 2 327.453 3.759 20 30 EHEDLO C=C(Br)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000852676424 1136476156 /nfs/dbraw/zinc/47/61/56/1136476156.db2.gz LAOJXSXIOKQHKQ-JTQLQIEISA-N 1 2 325.033 3.525 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C[C@H](C)O)c1ccccc1 ZINC000853445714 1136533063 /nfs/dbraw/zinc/53/30/63/1136533063.db2.gz VLRXBZHUISQMFK-HKUYNNGSSA-N 1 2 338.451 3.840 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853626849 1136550573 /nfs/dbraw/zinc/55/05/73/1136550573.db2.gz IQXFYKNEKJXUQH-CYBMUJFWSA-N 1 2 332.473 3.795 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853626849 1136550575 /nfs/dbraw/zinc/55/05/75/1136550575.db2.gz IQXFYKNEKJXUQH-CYBMUJFWSA-N 1 2 332.473 3.795 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(OC)c1OC ZINC000820635405 1136999221 /nfs/dbraw/zinc/99/92/21/1136999221.db2.gz VKZNBXOGDIDPJZ-UHFFFAOYSA-N 1 2 326.396 3.503 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000820682931 1137001043 /nfs/dbraw/zinc/00/10/43/1137001043.db2.gz VHYDZTHKKFJGSJ-INIZCTEOSA-N 1 2 348.805 3.812 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(C)c(C#N)cn3)c2)[nH+]c1C ZINC001136399411 1137012812 /nfs/dbraw/zinc/01/28/12/1137012812.db2.gz XPTBBVWESFZONK-UHFFFAOYSA-N 1 2 331.379 3.521 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000860106492 1137044633 /nfs/dbraw/zinc/04/46/33/1137044633.db2.gz LJVBMAXPLQDTQT-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000860106492 1137044635 /nfs/dbraw/zinc/04/46/35/1137044635.db2.gz LJVBMAXPLQDTQT-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)c2)cc1 ZINC001136712314 1137097132 /nfs/dbraw/zinc/09/71/32/1137097132.db2.gz YOCUJUASKVOLBE-QZTJIDSGSA-N 1 2 344.374 3.816 20 30 EHEDLO N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)c2)cc1 ZINC001136712314 1137097133 /nfs/dbraw/zinc/09/71/33/1137097133.db2.gz YOCUJUASKVOLBE-QZTJIDSGSA-N 1 2 344.374 3.816 20 30 EHEDLO COc1cc(OC)c(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1Cl ZINC000119120289 1137159953 /nfs/dbraw/zinc/15/99/53/1137159953.db2.gz HAOYUOSWGTWBOC-VOTSOKGWSA-N 1 2 342.782 3.901 20 30 EHEDLO N#Cc1cccc(Cl)c1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143732606 1137193314 /nfs/dbraw/zinc/19/33/14/1137193314.db2.gz SPTXHOAOKBRFSW-INIZCTEOSA-N 1 2 339.817 3.517 20 30 EHEDLO Cc1cccnc1O[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143731943 1137194856 /nfs/dbraw/zinc/19/48/56/1137194856.db2.gz IZACOEMBFGIDGP-OAHLLOKOSA-N 1 2 327.815 3.568 20 30 EHEDLO Cc1cccnc1O[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143731943 1137194858 /nfs/dbraw/zinc/19/48/58/1137194858.db2.gz IZACOEMBFGIDGP-OAHLLOKOSA-N 1 2 327.815 3.568 20 30 EHEDLO C#Cc1ccc([C@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000844561273 1137235251 /nfs/dbraw/zinc/23/52/51/1137235251.db2.gz TWPUKICFUJEVHM-LRDDRELGSA-N 1 2 336.313 3.662 20 30 EHEDLO O=C1C=C([NH2+]Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H]2CCCN12 ZINC000844606483 1137239121 /nfs/dbraw/zinc/23/91/21/1137239121.db2.gz CZZUCOHJXQGDMX-GFCCVEGCSA-N 1 2 331.725 3.521 20 30 EHEDLO C=CC[C@@H]([NH2+]Cc1nccc(C)c1Br)c1ccncc1 ZINC000865465276 1137286473 /nfs/dbraw/zinc/28/64/73/1137286473.db2.gz XNEKESBXTHKAID-CQSZACIVSA-N 1 2 332.245 3.955 20 30 EHEDLO CC(C)c1cc(NC(=N)c2ccc3cc(O)ccc3c2)nc(N(C)C)[nH+]1 ZINC001171185792 1137295766 /nfs/dbraw/zinc/29/57/66/1137295766.db2.gz IYGPWQVTHKFOJQ-UHFFFAOYSA-N 1 2 349.438 3.562 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000846118300 1137334122 /nfs/dbraw/zinc/33/41/22/1137334122.db2.gz XBAIRGUATYDQTJ-FQEVSTJZSA-N 1 2 341.455 3.521 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000846118300 1137334124 /nfs/dbraw/zinc/33/41/24/1137334124.db2.gz XBAIRGUATYDQTJ-FQEVSTJZSA-N 1 2 341.455 3.521 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(Br)cn1 ZINC000866195908 1137334845 /nfs/dbraw/zinc/33/48/45/1137334845.db2.gz LRCSATUCEKNFLJ-UHFFFAOYSA-N 1 2 346.228 3.643 20 30 EHEDLO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccco1 ZINC000866249144 1137339252 /nfs/dbraw/zinc/33/92/52/1137339252.db2.gz IDKVZWWJMPJZAU-WMLDXEAASA-N 1 2 327.428 3.591 20 30 EHEDLO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)N2CCCC2)o1 ZINC000866253380 1137339723 /nfs/dbraw/zinc/33/97/23/1137339723.db2.gz XYVSNCKTIKMLMT-YJBOKZPZSA-N 1 2 339.439 3.653 20 30 EHEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(Br)s1)CC2 ZINC000866621032 1137370447 /nfs/dbraw/zinc/37/04/47/1137370447.db2.gz XHWJHPKJSZXYHH-LBPRGKRZSA-N 1 2 334.242 3.554 20 30 EHEDLO N#C[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC001148334151 1137422623 /nfs/dbraw/zinc/42/26/23/1137422623.db2.gz FNTGOQKFJBAXIZ-FGTMMUONSA-N 1 2 340.471 3.641 20 30 EHEDLO CC(C)Oc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC001148769852 1137434572 /nfs/dbraw/zinc/43/45/72/1137434572.db2.gz XHNGNFIFKIYXHS-UHFFFAOYSA-N 1 2 346.390 3.783 20 30 EHEDLO CCCCCCC[C@H](CC)[NH2+][C@@H](CCC(=O)OCC)C(=O)OCC ZINC001172346322 1137553101 /nfs/dbraw/zinc/55/31/01/1137553101.db2.gz IVDDMQVWQRMGHG-IRXDYDNUSA-N 1 2 343.508 3.990 20 30 EHEDLO C=CCC(C)(C)c1noc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872182818 1137575631 /nfs/dbraw/zinc/57/56/31/1137575631.db2.gz RLNQCCIJVPVPAZ-GFCCVEGCSA-N 1 2 325.334 3.990 20 30 EHEDLO CSc1nnc(SC)n1[NH+]=CCc1cccc(C(F)(F)F)c1 ZINC000872418726 1137579855 /nfs/dbraw/zinc/57/98/55/1137579855.db2.gz ZQVBXXVPTKQBHN-UHFFFAOYSA-N 1 2 346.403 3.817 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000876635292 1137657771 /nfs/dbraw/zinc/65/77/71/1137657771.db2.gz STMUOLFBDMBVNG-SFHVURJKSA-N 1 2 341.842 3.788 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000876635292 1137657772 /nfs/dbraw/zinc/65/77/72/1137657772.db2.gz STMUOLFBDMBVNG-SFHVURJKSA-N 1 2 341.842 3.788 20 30 EHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000878962781 1137733690 /nfs/dbraw/zinc/73/36/90/1137733690.db2.gz XVDUDQMAFDJBQR-UHFFFAOYSA-N 1 2 332.860 3.745 20 30 EHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000878961983 1137733706 /nfs/dbraw/zinc/73/37/06/1137733706.db2.gz DOZULAWDJNMCHT-UHFFFAOYSA-N 1 2 332.860 3.745 20 30 EHEDLO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(OC)c1OC ZINC000879464521 1137748492 /nfs/dbraw/zinc/74/84/92/1137748492.db2.gz MNMALHQFKVUWCP-KRWDZBQOSA-N 1 2 328.387 3.955 20 30 EHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879550368 1137750535 /nfs/dbraw/zinc/75/05/35/1137750535.db2.gz OQZOYFGSUAXCRE-UHFFFAOYSA-N 1 2 340.402 3.727 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563943 1137751257 /nfs/dbraw/zinc/75/12/57/1137751257.db2.gz FTXFNDNZKGQCKT-OCCSQVGLSA-N 1 2 337.286 3.506 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563943 1137751258 /nfs/dbraw/zinc/75/12/58/1137751258.db2.gz FTXFNDNZKGQCKT-OCCSQVGLSA-N 1 2 337.286 3.506 20 30 EHEDLO Cc1cccn2c(/C=C/C(=O)c3c(Cl)nc4sccn43)c[nH+]c12 ZINC000132795590 1137869497 /nfs/dbraw/zinc/86/94/97/1137869497.db2.gz QLHWYIOVDWYVFB-SNAWJCMRSA-N 1 2 342.811 3.901 20 30 EHEDLO CSc1ccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1C#N ZINC000886690318 1138116011 /nfs/dbraw/zinc/11/60/11/1138116011.db2.gz UFZDKXGSXHVCEH-QGZVFWFLSA-N 1 2 341.484 3.809 20 30 EHEDLO CCOc1cccc(/C=[NH+]\CC[C@H]2CCC3(CCOCC3)CO2)c1O ZINC000887270287 1138252414 /nfs/dbraw/zinc/25/24/14/1138252414.db2.gz KXOKUSOIESRCBB-RHTHQAGFSA-N 1 2 347.455 3.576 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(-c4ccco4)on3)CC2)cc1 ZINC000264101523 1138418935 /nfs/dbraw/zinc/41/89/35/1138418935.db2.gz ITSIPLVJLHTRDO-UHFFFAOYSA-N 1 2 349.390 3.850 20 30 EHEDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)o1 ZINC000131426797 1138516860 /nfs/dbraw/zinc/51/68/60/1138516860.db2.gz OGJJTRISJIAQDH-LJQANCHMSA-N 1 2 335.407 3.887 20 30 EHEDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)o1 ZINC000131426797 1138516861 /nfs/dbraw/zinc/51/68/61/1138516861.db2.gz OGJJTRISJIAQDH-LJQANCHMSA-N 1 2 335.407 3.887 20 30 EHEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889548915 1139230005 /nfs/dbraw/zinc/23/00/05/1139230005.db2.gz OMYCISQPNGKRGX-BRWVUGGUSA-N 1 2 328.460 3.555 20 30 EHEDLO C=CCOc1cccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c1 ZINC000186429997 1140204188 /nfs/dbraw/zinc/20/41/88/1140204188.db2.gz GCMUAQWSPCZZTD-UHFFFAOYSA-N 1 2 330.428 3.844 20 30 EHEDLO COc1ccc(C[C@@H](C)C[N@H+](CCC#N)Cc2ccccn2)cc1F ZINC000186690309 1140217014 /nfs/dbraw/zinc/21/70/14/1140217014.db2.gz YZCRUNDXLDQPBU-MRXNPFEDSA-N 1 2 341.430 3.824 20 30 EHEDLO COc1ccc(C[C@@H](C)C[N@@H+](CCC#N)Cc2ccccn2)cc1F ZINC000186690309 1140217016 /nfs/dbraw/zinc/21/70/16/1140217016.db2.gz YZCRUNDXLDQPBU-MRXNPFEDSA-N 1 2 341.430 3.824 20 30 EHEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1c(C#N)cnc3ccccc31)C2 ZINC000266456461 1140689860 /nfs/dbraw/zinc/68/98/60/1140689860.db2.gz XYQNZYILQNOLQY-UHFFFAOYSA-N 1 2 331.423 3.526 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)c(C#N)c1C ZINC000269431306 1141107930 /nfs/dbraw/zinc/10/79/30/1141107930.db2.gz LOOYCMQKPYJECR-INIZCTEOSA-N 1 2 341.411 3.917 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)c(C#N)c1C ZINC000269431306 1141107934 /nfs/dbraw/zinc/10/79/34/1141107934.db2.gz LOOYCMQKPYJECR-INIZCTEOSA-N 1 2 341.411 3.917 20 30 EHEDLO Cc1cccn2cc(COc3ccc(C[N@@H+](C)C[C@H](C)C#N)cc3)nc12 ZINC000271145930 1141313903 /nfs/dbraw/zinc/31/39/03/1141313903.db2.gz YFNXSIRXAQAMMI-MRXNPFEDSA-N 1 2 348.450 3.813 20 30 EHEDLO Cc1cccn2cc(COc3ccc(C[N@H+](C)C[C@H](C)C#N)cc3)nc12 ZINC000271145930 1141313910 /nfs/dbraw/zinc/31/39/10/1141313910.db2.gz YFNXSIRXAQAMMI-MRXNPFEDSA-N 1 2 348.450 3.813 20 30 EHEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000038039369 202093037 /nfs/dbraw/zinc/09/30/37/202093037.db2.gz FZTNEPVTURFAMR-UHFFFAOYSA-N 1 2 337.167 3.889 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)COc3ccccc3C#N)c2)[nH+]c1C ZINC000363378490 526587098 /nfs/dbraw/zinc/58/70/98/526587098.db2.gz YMBSLMZQIIJOIO-UHFFFAOYSA-N 1 2 346.390 3.583 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccs1 ZINC000023324337 1032106200 /nfs/dbraw/zinc/10/62/00/1032106200.db2.gz YMODDCNIZLANBV-UHFFFAOYSA-N 1 2 345.855 3.900 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccs1 ZINC000023324337 1032106214 /nfs/dbraw/zinc/10/62/14/1032106214.db2.gz YMODDCNIZLANBV-UHFFFAOYSA-N 1 2 345.855 3.900 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000246104901 1015787492 /nfs/dbraw/zinc/78/74/92/1015787492.db2.gz IWFMXFYDSFHQSY-HUUCEWRRSA-N 1 2 349.525 3.535 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000246104901 1015787498 /nfs/dbraw/zinc/78/74/98/1015787498.db2.gz IWFMXFYDSFHQSY-HUUCEWRRSA-N 1 2 349.525 3.535 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459515641 1032222120 /nfs/dbraw/zinc/22/21/20/1032222120.db2.gz BGVHLBQMHLCXIU-UHFFFAOYSA-N 1 2 326.444 3.636 20 30 EHEDLO N#C[C@H]1CCC[N@@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000693913443 1032224716 /nfs/dbraw/zinc/22/47/16/1032224716.db2.gz WKVSWYWMTACSAV-CYBMUJFWSA-N 1 2 335.245 3.648 20 30 EHEDLO N#C[C@H]1CCC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000693913443 1032224730 /nfs/dbraw/zinc/22/47/30/1032224730.db2.gz WKVSWYWMTACSAV-CYBMUJFWSA-N 1 2 335.245 3.648 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000602004621 1032589532 /nfs/dbraw/zinc/58/95/32/1032589532.db2.gz GVALGDBZVXYDFM-RTBURBONSA-N 1 2 328.362 3.846 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000377253162 1017527689 /nfs/dbraw/zinc/52/76/89/1017527689.db2.gz SSUKHCWWKAAWNX-HXUWFJFHSA-N 1 2 344.418 3.522 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000377253162 1017527699 /nfs/dbraw/zinc/52/76/99/1017527699.db2.gz SSUKHCWWKAAWNX-HXUWFJFHSA-N 1 2 344.418 3.522 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nc(-c2cccnc2)no1 ZINC000176961778 1017538675 /nfs/dbraw/zinc/53/86/75/1017538675.db2.gz GSVHFOJAQVKSDF-OAHLLOKOSA-N 1 2 339.424 3.552 20 30 EHEDLO C#Cc1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000377700341 1018211935 /nfs/dbraw/zinc/21/19/35/1018211935.db2.gz NDDTZBLOYSXTCV-HXUWFJFHSA-N 1 2 335.838 3.934 20 30 EHEDLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(C#N)c(F)c1 ZINC000614417756 1019024259 /nfs/dbraw/zinc/02/42/59/1019024259.db2.gz CHYRIABHBWDYQW-LBPRGKRZSA-N 1 2 331.391 3.851 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000473531737 1019857234 /nfs/dbraw/zinc/85/72/34/1019857234.db2.gz SZNOOVISMBJPSZ-KUHUBIRLSA-N 1 2 336.426 3.648 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000473531737 1019857247 /nfs/dbraw/zinc/85/72/47/1019857247.db2.gz SZNOOVISMBJPSZ-KUHUBIRLSA-N 1 2 336.426 3.648 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2Cc3ccc(OC)cc3C2)cc1OC ZINC000656274692 1019875889 /nfs/dbraw/zinc/87/58/89/1019875889.db2.gz FCLFNLQFHBVPDX-UHFFFAOYSA-N 1 2 325.408 3.784 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2Cc3ccc(OC)cc3C2)cc1OC ZINC000656274692 1019875899 /nfs/dbraw/zinc/87/58/99/1019875899.db2.gz FCLFNLQFHBVPDX-UHFFFAOYSA-N 1 2 325.408 3.784 20 30 EHEDLO O=C1C=COC2(CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)C1 ZINC000897599210 1032903432 /nfs/dbraw/zinc/90/34/32/1032903432.db2.gz FOJWSPMWEGFPKV-UHFFFAOYSA-N 1 2 331.359 3.605 20 30 EHEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)CCCC2 ZINC000602481044 1032911236 /nfs/dbraw/zinc/91/12/36/1032911236.db2.gz DNNYTPYLLQNNPE-UYAOXDASSA-N 1 2 334.467 3.571 20 30 EHEDLO Cn1nc2c(c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)CCCC2 ZINC000602481044 1032911244 /nfs/dbraw/zinc/91/12/44/1032911244.db2.gz DNNYTPYLLQNNPE-UYAOXDASSA-N 1 2 334.467 3.571 20 30 EHEDLO C=CCC[N@@H+](C)Cc1ncc(Br)cc1Br ZINC000276116048 1020661935 /nfs/dbraw/zinc/66/19/35/1020661935.db2.gz ISPYGTHFVKQUBO-UHFFFAOYSA-N 1 2 334.055 3.615 20 30 EHEDLO C=CCC[N@H+](C)Cc1ncc(Br)cc1Br ZINC000276116048 1020661943 /nfs/dbraw/zinc/66/19/43/1020661943.db2.gz ISPYGTHFVKQUBO-UHFFFAOYSA-N 1 2 334.055 3.615 20 30 EHEDLO Cc1c(NN=Cc2cc(-n3cc[nH+]c3)cs2)cccc1[N+](=O)[O-] ZINC000783847082 1032966791 /nfs/dbraw/zinc/96/67/91/1032966791.db2.gz SDEGANGMMUOUKE-UHFFFAOYSA-N 1 2 327.369 3.596 20 30 EHEDLO CCCCCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001270163591 1021509269 /nfs/dbraw/zinc/50/92/69/1021509269.db2.gz GIHMIYMHBDNKNR-KDURUIRLSA-N 1 2 336.520 3.591 20 30 EHEDLO CCCCCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001270163591 1021509280 /nfs/dbraw/zinc/50/92/80/1021509280.db2.gz GIHMIYMHBDNKNR-KDURUIRLSA-N 1 2 336.520 3.591 20 30 EHEDLO C=CC[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440882544 1021843318 /nfs/dbraw/zinc/84/33/18/1021843318.db2.gz WQHONVORBCNAFZ-AEFFLSMTSA-N 1 2 326.444 3.505 20 30 EHEDLO C[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cccc(C#N)c1 ZINC000026326530 1033032410 /nfs/dbraw/zinc/03/24/10/1033032410.db2.gz IVIOHTUJCDTHJD-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cccc(C#N)c1 ZINC000026326530 1033032431 /nfs/dbraw/zinc/03/24/31/1033032431.db2.gz IVIOHTUJCDTHJD-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C=CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000187532244 1022181277 /nfs/dbraw/zinc/18/12/77/1022181277.db2.gz KHKAOVQGKILPQH-LJQANCHMSA-N 1 2 331.419 3.848 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nn(C(C)C)c1C ZINC000894410970 1022198081 /nfs/dbraw/zinc/19/80/81/1022198081.db2.gz APQPSPNAVCXSLJ-UHFFFAOYSA-N 1 2 331.460 3.744 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nn(C(C)C)c1C ZINC000894410970 1022198084 /nfs/dbraw/zinc/19/80/84/1022198084.db2.gz APQPSPNAVCXSLJ-UHFFFAOYSA-N 1 2 331.460 3.744 20 30 EHEDLO C=CC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307805 1022474900 /nfs/dbraw/zinc/47/49/00/1022474900.db2.gz ILBJJCLKMHEVMX-CQSZACIVSA-N 1 2 348.244 3.746 20 30 EHEDLO C=CC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307805 1022474909 /nfs/dbraw/zinc/47/49/09/1022474909.db2.gz ILBJJCLKMHEVMX-CQSZACIVSA-N 1 2 348.244 3.746 20 30 EHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1coc(C2CCCCC2)n1 ZINC000328730656 1022489964 /nfs/dbraw/zinc/48/99/64/1022489964.db2.gz GDOYELOVGXGFNZ-UHFFFAOYSA-N 1 2 342.443 3.802 20 30 EHEDLO CCc1ccc2nc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)sc2c1 ZINC000328905938 1022542218 /nfs/dbraw/zinc/54/22/18/1022542218.db2.gz BDCZTJZZJCJEAM-GFCCVEGCSA-N 1 2 326.425 3.906 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(Br)cc1 ZINC000894669512 1022685203 /nfs/dbraw/zinc/68/52/03/1022685203.db2.gz UPMMPHASJQPAMO-KRWDZBQOSA-N 1 2 344.256 3.835 20 30 EHEDLO C=C[C@@](C)(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009892 1022698611 /nfs/dbraw/zinc/69/86/11/1022698611.db2.gz SLQGJVATXFAVAB-SYNHAJSKSA-N 1 2 341.455 3.885 20 30 EHEDLO C=C[C@@](C)(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009892 1022698621 /nfs/dbraw/zinc/69/86/21/1022698621.db2.gz SLQGJVATXFAVAB-SYNHAJSKSA-N 1 2 341.455 3.885 20 30 EHEDLO N#Cc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000426132768 1022962547 /nfs/dbraw/zinc/96/25/47/1022962547.db2.gz BLVDAVFHTOGFEW-UHFFFAOYSA-N 1 2 343.818 3.620 20 30 EHEDLO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000933780789 1022980654 /nfs/dbraw/zinc/98/06/54/1022980654.db2.gz VPOPDOLLBSCPCB-HNNXBMFYSA-N 1 2 341.480 3.546 20 30 EHEDLO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000933780789 1022980659 /nfs/dbraw/zinc/98/06/59/1022980659.db2.gz VPOPDOLLBSCPCB-HNNXBMFYSA-N 1 2 341.480 3.546 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1cccs1 ZINC000510779320 1023157214 /nfs/dbraw/zinc/15/72/14/1023157214.db2.gz OOHKDHRBHUPSOR-WMZOPIPTSA-N 1 2 332.513 3.917 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1cccs1 ZINC000510779320 1023157221 /nfs/dbraw/zinc/15/72/21/1023157221.db2.gz OOHKDHRBHUPSOR-WMZOPIPTSA-N 1 2 332.513 3.917 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1OC)Cc1cccs1 ZINC000016395423 1023440375 /nfs/dbraw/zinc/44/03/75/1023440375.db2.gz CPUDXEKQNAAHPN-HNNXBMFYSA-N 1 2 344.480 3.622 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1OC)Cc1cccs1 ZINC000016395423 1023440380 /nfs/dbraw/zinc/44/03/80/1023440380.db2.gz CPUDXEKQNAAHPN-HNNXBMFYSA-N 1 2 344.480 3.622 20 30 EHEDLO C=CCc1cc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc(OC)c1O ZINC000277061662 1023737792 /nfs/dbraw/zinc/73/77/92/1023737792.db2.gz BSCKQJPPZMADFP-STQMWFEESA-N 1 2 344.459 3.612 20 30 EHEDLO C=C(C)C[N@@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000181299480 1023898041 /nfs/dbraw/zinc/89/80/41/1023898041.db2.gz LEWLHBIIWAROJT-UHFFFAOYSA-N 1 2 325.437 3.660 20 30 EHEDLO C=C(C)C[N@H+](C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000181299480 1023898049 /nfs/dbraw/zinc/89/80/49/1023898049.db2.gz LEWLHBIIWAROJT-UHFFFAOYSA-N 1 2 325.437 3.660 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300592 1033182379 /nfs/dbraw/zinc/18/23/79/1033182379.db2.gz GAEIZZGGYFJISD-GOSISDBHSA-N 1 2 347.462 3.766 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063300592 1033182384 /nfs/dbraw/zinc/18/23/84/1033182384.db2.gz GAEIZZGGYFJISD-GOSISDBHSA-N 1 2 347.462 3.766 20 30 EHEDLO CC(C)(CCC#N)C[NH2+]Cc1nc2cccc(Br)c2[nH]1 ZINC000449769760 1033186648 /nfs/dbraw/zinc/18/66/48/1033186648.db2.gz CGJHGOLNWGWYDW-UHFFFAOYSA-N 1 2 335.249 3.745 20 30 EHEDLO C[C@H]1CCN(C([O-])=[NH+]c2ncc(C(C)(C)C)s2)C[C@@H]1n1cc[nH+]c1 ZINC000329881875 1024235222 /nfs/dbraw/zinc/23/52/22/1024235222.db2.gz PBSILQUIBKDVFT-STQMWFEESA-N 1 2 347.488 3.766 20 30 EHEDLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000329906030 1024245082 /nfs/dbraw/zinc/24/50/82/1024245082.db2.gz JVQMILFMLVPSDC-IKGGRYGDSA-N 1 2 332.492 3.728 20 30 EHEDLO CC1(CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000329976548 1024272344 /nfs/dbraw/zinc/27/23/44/1024272344.db2.gz FKNKHLHEOLHPLU-ZWKOTPCHSA-N 1 2 338.455 3.806 20 30 EHEDLO C[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330155506 1024337031 /nfs/dbraw/zinc/33/70/31/1024337031.db2.gz ODJWYKGKOWBVLD-CABCVRRESA-N 1 2 332.492 3.531 20 30 EHEDLO O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330206738 1024355907 /nfs/dbraw/zinc/35/59/07/1024355907.db2.gz FKLYMFRYPDYVGR-CQSZACIVSA-N 1 2 340.418 3.650 20 30 EHEDLO [O-]C(=[NH+]C[C@@H]1CCCCC(F)(F)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000330206738 1024355924 /nfs/dbraw/zinc/35/59/24/1024355924.db2.gz FKLYMFRYPDYVGR-CQSZACIVSA-N 1 2 340.418 3.650 20 30 EHEDLO N#Cc1c(C(F)F)cccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895353903 1024369803 /nfs/dbraw/zinc/36/98/03/1024369803.db2.gz NNAHWVLWMSXYGU-UHFFFAOYSA-N 1 2 328.366 3.972 20 30 EHEDLO C=CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccc(C#N)c1 ZINC000434838356 1024451813 /nfs/dbraw/zinc/45/18/13/1024451813.db2.gz ZDKUOFJZQUVGPX-UHFFFAOYSA-N 1 2 348.362 3.796 20 30 EHEDLO C=CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccc(C#N)c1 ZINC000434838356 1024451823 /nfs/dbraw/zinc/45/18/23/1024451823.db2.gz ZDKUOFJZQUVGPX-UHFFFAOYSA-N 1 2 348.362 3.796 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001141816886 1024602481 /nfs/dbraw/zinc/60/24/81/1024602481.db2.gz OCIKMXDKGFWOSY-AWEZNQCLSA-N 1 2 349.272 3.569 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001141816886 1024602489 /nfs/dbraw/zinc/60/24/89/1024602489.db2.gz OCIKMXDKGFWOSY-AWEZNQCLSA-N 1 2 349.272 3.569 20 30 EHEDLO C=CCN(Cc1ccccc1F)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000342264412 1024621061 /nfs/dbraw/zinc/62/10/61/1024621061.db2.gz PVBVODAURXPXBX-UHFFFAOYSA-N 1 2 349.409 3.899 20 30 EHEDLO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000895639405 1024685571 /nfs/dbraw/zinc/68/55/71/1024685571.db2.gz KJKLMSZHFYPOQC-QGZVFWFLSA-N 1 2 326.371 3.709 20 30 EHEDLO C=CC[C@@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000186613568 1024700922 /nfs/dbraw/zinc/70/09/22/1024700922.db2.gz HXTVERYUMFXYDV-IEBWSBKVSA-N 1 2 337.467 3.561 20 30 EHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccccc1F ZINC000052927820 1024756337 /nfs/dbraw/zinc/75/63/37/1024756337.db2.gz RZCCIPGWDRXHKM-MRXNPFEDSA-N 1 2 339.414 3.593 20 30 EHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccccc1F ZINC000052927820 1024756346 /nfs/dbraw/zinc/75/63/46/1024756346.db2.gz RZCCIPGWDRXHKM-MRXNPFEDSA-N 1 2 339.414 3.593 20 30 EHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 ZINC000032504719 1025061762 /nfs/dbraw/zinc/06/17/62/1025061762.db2.gz JSWVPSUKYPRWLS-UHFFFAOYSA-N 1 2 347.462 3.640 20 30 EHEDLO N#Cc1cc(F)c(NCCCCn2cc[nH+]c2)cc1Br ZINC000383626861 1025080950 /nfs/dbraw/zinc/08/09/50/1025080950.db2.gz HWHIWAPCPGRYMO-UHFFFAOYSA-N 1 2 337.196 3.549 20 30 EHEDLO C=CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000449806890 1033262692 /nfs/dbraw/zinc/26/26/92/1033262692.db2.gz TVAXPUVEPVSERK-UHFFFAOYSA-N 1 2 327.403 3.764 20 30 EHEDLO COc1cc(F)c(CNc2[nH+]cccc2OCCCC#N)cc1OC ZINC000515304369 1025165057 /nfs/dbraw/zinc/16/50/57/1025165057.db2.gz XNHOUPQSANNGGR-UHFFFAOYSA-N 1 2 345.374 3.533 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CC[C@@H](c2nc(CC)no2)C1 ZINC000896352926 1025376778 /nfs/dbraw/zinc/37/67/78/1025376778.db2.gz ZGQZKTNTSBQPJP-HUUCEWRRSA-N 1 2 340.427 3.567 20 30 EHEDLO FC1(F)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000896392530 1025399343 /nfs/dbraw/zinc/39/93/43/1025399343.db2.gz GEHCPTXXLNLLSP-HTQZYQBOSA-N 1 2 346.221 3.689 20 30 EHEDLO COc1cc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)ccc1C#N ZINC000281836293 1025582035 /nfs/dbraw/zinc/58/20/35/1025582035.db2.gz YDGPHXNSQQUEAO-VIFPVBQESA-N 1 2 341.358 3.893 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)c(C#N)c1C ZINC000505837584 1025785754 /nfs/dbraw/zinc/78/57/54/1025785754.db2.gz FFFREQKEEXOMPL-DOJUMQAQSA-N 1 2 349.434 3.884 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)c(C#N)c1C ZINC000505837584 1025785765 /nfs/dbraw/zinc/78/57/65/1025785765.db2.gz FFFREQKEEXOMPL-DOJUMQAQSA-N 1 2 349.434 3.884 20 30 EHEDLO CC(C)c1cnc(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896655495 1025815546 /nfs/dbraw/zinc/81/55/46/1025815546.db2.gz XZRDNMMREDWFBA-HNNXBMFYSA-N 1 2 341.484 3.610 20 30 EHEDLO CC(C)c1cnc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896655495 1025815560 /nfs/dbraw/zinc/81/55/60/1025815560.db2.gz XZRDNMMREDWFBA-HNNXBMFYSA-N 1 2 341.484 3.610 20 30 EHEDLO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccncc1F ZINC000338354501 1026024604 /nfs/dbraw/zinc/02/46/04/1026024604.db2.gz JEPRHFOETYCPDF-JTQLQIEISA-N 1 2 334.192 3.706 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccoc2)c1 ZINC000342639833 1026545622 /nfs/dbraw/zinc/54/56/22/1026545622.db2.gz OXZQTJRCYJVULQ-QGZVFWFLSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccoc2)c1 ZINC000342639833 1026545631 /nfs/dbraw/zinc/54/56/31/1026545631.db2.gz OXZQTJRCYJVULQ-QGZVFWFLSA-N 1 2 339.439 3.664 20 30 EHEDLO C=CCC1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCC1 ZINC000452206033 1026572162 /nfs/dbraw/zinc/57/21/62/1026572162.db2.gz KKLYHQAZCFYAPV-UHFFFAOYSA-N 1 2 329.831 3.888 20 30 EHEDLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459283718 1027263755 /nfs/dbraw/zinc/26/37/55/1027263755.db2.gz RSCWAZQVKCKBIK-SFHVURJKSA-N 1 2 337.379 3.812 20 30 EHEDLO COc1cccc([C@@H]2CCC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459283718 1027263771 /nfs/dbraw/zinc/26/37/71/1027263771.db2.gz RSCWAZQVKCKBIK-SFHVURJKSA-N 1 2 337.379 3.812 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273111155 1027273270 /nfs/dbraw/zinc/27/32/70/1027273270.db2.gz NUESOGAYKYGGFU-QGZVFWFLSA-N 1 2 330.378 3.589 20 30 EHEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000153202230 1027564344 /nfs/dbraw/zinc/56/43/44/1027564344.db2.gz ANUCDKSZERRLIZ-RYUDHWBXSA-N 1 2 342.390 3.785 20 30 EHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000153202230 1027564354 /nfs/dbraw/zinc/56/43/54/1027564354.db2.gz ANUCDKSZERRLIZ-RYUDHWBXSA-N 1 2 342.390 3.785 20 30 EHEDLO COc1cc(OC)c2ncc(C#N)c(NCc3cc(C)[nH+]c(C)c3)c2c1 ZINC000420648067 1027669214 /nfs/dbraw/zinc/66/92/14/1027669214.db2.gz CRQRDZWYKWJZEF-UHFFFAOYSA-N 1 2 348.406 3.748 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043224 1027685238 /nfs/dbraw/zinc/68/52/38/1027685238.db2.gz CEKNUGRTXQDRFV-YJBOKZPZSA-N 1 2 328.456 3.568 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043224 1027685244 /nfs/dbraw/zinc/68/52/44/1027685244.db2.gz CEKNUGRTXQDRFV-YJBOKZPZSA-N 1 2 328.456 3.568 20 30 EHEDLO Cc1cc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)cc(C)[nH+]1 ZINC000420850894 1027795589 /nfs/dbraw/zinc/79/55/89/1027795589.db2.gz QDYILPGRRWLYDQ-LJQANCHMSA-N 1 2 336.439 3.933 20 30 EHEDLO C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CCS1 ZINC000347124519 1027858923 /nfs/dbraw/zinc/85/89/23/1027858923.db2.gz QBESQZGPRBYBJK-NSHDSACASA-N 1 2 325.275 3.648 20 30 EHEDLO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CCS1 ZINC000347124519 1027858941 /nfs/dbraw/zinc/85/89/41/1027858941.db2.gz QBESQZGPRBYBJK-NSHDSACASA-N 1 2 325.275 3.648 20 30 EHEDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccccc1C#N)CC2 ZINC000016418987 1028436542 /nfs/dbraw/zinc/43/65/42/1028436542.db2.gz KJWUWGDEZGQODN-UHFFFAOYSA-N 1 2 336.435 3.914 20 30 EHEDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccccc1C#N)CC2 ZINC000016418987 1028436552 /nfs/dbraw/zinc/43/65/52/1028436552.db2.gz KJWUWGDEZGQODN-UHFFFAOYSA-N 1 2 336.435 3.914 20 30 EHEDLO C=C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000179157324 1028721228 /nfs/dbraw/zinc/72/12/28/1028721228.db2.gz LAIXOEWTQBRQOJ-SFHVURJKSA-N 1 2 331.419 3.848 20 30 EHEDLO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(C#N)cc1 ZINC000324219252 1028886234 /nfs/dbraw/zinc/88/62/34/1028886234.db2.gz PNRSOVRXWMXQSL-NSHDSACASA-N 1 2 338.798 3.711 20 30 EHEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000272492547 1029482956 /nfs/dbraw/zinc/48/29/56/1029482956.db2.gz CMGMGEANYYVYIP-UHFFFAOYSA-N 1 2 339.411 3.565 20 30 EHEDLO C=CC[N@H+](Cc1cccc(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361503 1029488819 /nfs/dbraw/zinc/48/88/19/1029488819.db2.gz SPXNQAOWRNXJCB-FQEVSTJZSA-N 1 2 341.476 3.529 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361503 1029488826 /nfs/dbraw/zinc/48/88/26/1029488826.db2.gz SPXNQAOWRNXJCB-FQEVSTJZSA-N 1 2 341.476 3.529 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cnc(C(F)(F)F)s1 ZINC000446969045 1029875018 /nfs/dbraw/zinc/87/50/18/1029875018.db2.gz FFVVRDXHKZBJOV-UHFFFAOYSA-N 1 2 342.346 3.852 20 30 EHEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc2c(cc1C#N)CCCC2(C)C ZINC000428696692 1029945893 /nfs/dbraw/zinc/94/58/93/1029945893.db2.gz ZKLXJHOOVCDRML-UHFFFAOYSA-N 1 2 349.482 3.736 20 30 EHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCc2cccnc21 ZINC000329276085 1030228259 /nfs/dbraw/zinc/22/82/59/1030228259.db2.gz IWOSCUZXZBJDCN-OAHLLOKOSA-N 1 2 342.468 3.842 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000092975620 1030541643 /nfs/dbraw/zinc/54/16/43/1030541643.db2.gz WNABXDQWNYIFRX-QRWLVFNGSA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000092975620 1030541655 /nfs/dbraw/zinc/54/16/55/1030541655.db2.gz WNABXDQWNYIFRX-QRWLVFNGSA-N 1 2 340.398 3.690 20 30 EHEDLO C=CCCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000448032754 1030687947 /nfs/dbraw/zinc/68/79/47/1030687947.db2.gz WSOLTIYOCOJVAF-GOSISDBHSA-N 1 2 326.444 3.507 20 30 EHEDLO C=CCCn1cc(C[N@@H+](CC)Cc2cccc(-c3ccncc3)c2)nn1 ZINC000668164649 1030826887 /nfs/dbraw/zinc/82/68/87/1030826887.db2.gz AEOLEIVYVQLWLR-UHFFFAOYSA-N 1 2 347.466 3.938 20 30 EHEDLO C=CCCn1cc(C[N@H+](CC)Cc2cccc(-c3ccncc3)c2)nn1 ZINC000668164649 1030826908 /nfs/dbraw/zinc/82/69/08/1030826908.db2.gz AEOLEIVYVQLWLR-UHFFFAOYSA-N 1 2 347.466 3.938 20 30 EHEDLO N#Cc1sc(NCc2cc[nH+]c(N3CCCCC3)c2)nc1Cl ZINC000278493889 1031091567 /nfs/dbraw/zinc/09/15/67/1031091567.db2.gz HRGHZUURVNXYEM-UHFFFAOYSA-N 1 2 333.848 3.666 20 30 EHEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3cc(C#N)cs3)n2)ccc1F ZINC000483660110 1031267585 /nfs/dbraw/zinc/26/75/85/1031267585.db2.gz WYMFOQMTUJVOES-LLVKDONJSA-N 1 2 342.399 3.968 20 30 EHEDLO COc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000584030972 1031505389 /nfs/dbraw/zinc/50/53/89/1031505389.db2.gz AMKXLRRDPNKWOR-SJCJKPOMSA-N 1 2 330.815 3.604 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3ccn(-c4ccccc4F)n3)CC2)c1 ZINC000551712779 1031595051 /nfs/dbraw/zinc/59/50/51/1031595051.db2.gz JOSNHTJGYBAHSY-UHFFFAOYSA-N 1 2 332.382 3.662 20 30 EHEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000347347010 1031917576 /nfs/dbraw/zinc/91/75/76/1031917576.db2.gz QVJDXIIHUKNFRG-DOTOQJQBSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000347347010 1031917589 /nfs/dbraw/zinc/91/75/89/1031917589.db2.gz QVJDXIIHUKNFRG-DOTOQJQBSA-N 1 2 342.439 3.698 20 30 EHEDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cs1 ZINC000594498515 1033400306 /nfs/dbraw/zinc/40/03/06/1033400306.db2.gz REQFYCPZWOBBEG-CYBMUJFWSA-N 1 2 329.469 3.941 20 30 EHEDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000598948623 1033586130 /nfs/dbraw/zinc/58/61/30/1033586130.db2.gz IARVJASNBWRDCY-HNNXBMFYSA-N 1 2 333.435 3.831 20 30 EHEDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000598948623 1033586134 /nfs/dbraw/zinc/58/61/34/1033586134.db2.gz IARVJASNBWRDCY-HNNXBMFYSA-N 1 2 333.435 3.831 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)c1C#N ZINC000761089704 1033667061 /nfs/dbraw/zinc/66/70/61/1033667061.db2.gz JHBDEEOWONCPFG-QAPCUYQASA-N 1 2 340.471 3.515 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]32)c1C#N ZINC000761089704 1033667081 /nfs/dbraw/zinc/66/70/81/1033667081.db2.gz JHBDEEOWONCPFG-QAPCUYQASA-N 1 2 340.471 3.515 20 30 EHEDLO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)c1cccs1 ZINC000595617100 1033926902 /nfs/dbraw/zinc/92/69/02/1033926902.db2.gz ULPIJUGUWXUIHT-PBHICJAKSA-N 1 2 333.501 3.577 20 30 EHEDLO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1cccs1 ZINC000595617100 1033926926 /nfs/dbraw/zinc/92/69/26/1033926926.db2.gz ULPIJUGUWXUIHT-PBHICJAKSA-N 1 2 333.501 3.577 20 30 EHEDLO CSc1ccccc1NC(=O)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593119774 1033971332 /nfs/dbraw/zinc/97/13/32/1033971332.db2.gz GEYIKWXYPWCOAK-UHFFFAOYSA-N 1 2 337.448 3.625 20 30 EHEDLO CSc1ccccc1NC(=O)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593119774 1033971350 /nfs/dbraw/zinc/97/13/50/1033971350.db2.gz GEYIKWXYPWCOAK-UHFFFAOYSA-N 1 2 337.448 3.625 20 30 EHEDLO C[C@@H](CCN1Cc2cccc(C#N)c2C1)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127376 1034019407 /nfs/dbraw/zinc/01/94/07/1034019407.db2.gz ONNVHCSNEJMJNE-INIZCTEOSA-N 1 2 342.446 3.540 20 30 EHEDLO C[C@@H](CCN1Cc2cccc(C#N)c2C1)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127376 1034019419 /nfs/dbraw/zinc/01/94/19/1034019419.db2.gz ONNVHCSNEJMJNE-INIZCTEOSA-N 1 2 342.446 3.540 20 30 EHEDLO C[C@@H](CC[N@@H+]1Cc2cccc(C#N)c2C1)N1Cc2cccc(C#N)c2C1 ZINC000593127376 1034019431 /nfs/dbraw/zinc/01/94/31/1034019431.db2.gz ONNVHCSNEJMJNE-INIZCTEOSA-N 1 2 342.446 3.540 20 30 EHEDLO C[C@@H](CC[N@H+]1Cc2cccc(C#N)c2C1)N1Cc2cccc(C#N)c2C1 ZINC000593127376 1034019445 /nfs/dbraw/zinc/01/94/45/1034019445.db2.gz ONNVHCSNEJMJNE-INIZCTEOSA-N 1 2 342.446 3.540 20 30 EHEDLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686757 1034114978 /nfs/dbraw/zinc/11/49/78/1034114978.db2.gz XXONDZPSJHHQEG-OAHLLOKOSA-N 1 2 344.418 3.922 20 30 EHEDLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686757 1034114990 /nfs/dbraw/zinc/11/49/90/1034114990.db2.gz XXONDZPSJHHQEG-OAHLLOKOSA-N 1 2 344.418 3.922 20 30 EHEDLO Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000597025463 1034503055 /nfs/dbraw/zinc/50/30/55/1034503055.db2.gz ATZUBTHZRLRJDQ-AZUAARDMSA-N 1 2 334.467 3.959 20 30 EHEDLO Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000597025463 1034503063 /nfs/dbraw/zinc/50/30/63/1034503063.db2.gz ATZUBTHZRLRJDQ-AZUAARDMSA-N 1 2 334.467 3.959 20 30 EHEDLO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000597241758 1034620945 /nfs/dbraw/zinc/62/09/45/1034620945.db2.gz GVCAPQITMXSTCO-XJKSGUPXSA-N 1 2 338.373 3.783 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000597241758 1034620953 /nfs/dbraw/zinc/62/09/53/1034620953.db2.gz GVCAPQITMXSTCO-XJKSGUPXSA-N 1 2 338.373 3.783 20 30 EHEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000597610403 1034852315 /nfs/dbraw/zinc/85/23/15/1034852315.db2.gz JWPSVAVJTQMOPU-UHFFFAOYSA-N 1 2 345.406 3.647 20 30 EHEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccccn1 ZINC000187344498 1035797137 /nfs/dbraw/zinc/79/71/37/1035797137.db2.gz HGSLAEDBMOYOOI-UHFFFAOYSA-N 1 2 337.452 3.830 20 30 EHEDLO N#CCc1ccc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000541347753 1036222179 /nfs/dbraw/zinc/22/21/79/1036222179.db2.gz MYHOYJYDZABYMG-DAXSKMNVSA-N 1 2 331.463 3.584 20 30 EHEDLO Cc1cc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)ccc1C#N ZINC000443995464 1036257823 /nfs/dbraw/zinc/25/78/23/1036257823.db2.gz NIUDCHOAPHZAOV-HXUWFJFHSA-N 1 2 334.398 3.619 20 30 EHEDLO C=CCn1c(SCc2cc(OC)cc(C)[nH+]2)nnc1-c1ccco1 ZINC000535255065 1036268758 /nfs/dbraw/zinc/26/87/58/1036268758.db2.gz LCPKJCGGYQCQNK-UHFFFAOYSA-N 1 2 342.424 3.728 20 30 EHEDLO C[C@H](CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000572964790 1036909186 /nfs/dbraw/zinc/90/91/86/1036909186.db2.gz ZBYDPGSTNOSRPT-MFKMUULPSA-N 1 2 337.210 3.522 20 30 EHEDLO C=CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103504865 1036915841 /nfs/dbraw/zinc/91/58/41/1036915841.db2.gz BSCQTDCUHIARRP-UHFFFAOYSA-N 1 2 346.434 3.584 20 30 EHEDLO Cn1cc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1C#N ZINC000191330707 1036928662 /nfs/dbraw/zinc/92/86/62/1036928662.db2.gz IBNHADVDEUHVAJ-IBGZPJMESA-N 1 2 336.826 3.824 20 30 EHEDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc(C#N)cc3F)CC2)cc1 ZINC000078413005 1037200733 /nfs/dbraw/zinc/20/07/33/1037200733.db2.gz HNKMJASZNLVKDI-UHFFFAOYSA-N 1 2 338.430 3.844 20 30 EHEDLO Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)c1C#N ZINC000575824246 1037258314 /nfs/dbraw/zinc/25/83/14/1037258314.db2.gz MLYCYJASZPQXTG-UHFFFAOYSA-N 1 2 340.858 3.546 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1OC ZINC000491370027 1037430067 /nfs/dbraw/zinc/43/00/67/1037430067.db2.gz XTSBKDMGSLRMEL-UHFFFAOYSA-N 1 2 348.830 3.611 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1OC ZINC000491370027 1037430070 /nfs/dbraw/zinc/43/00/70/1037430070.db2.gz XTSBKDMGSLRMEL-UHFFFAOYSA-N 1 2 348.830 3.611 20 30 EHEDLO CC(C)(C)CN(CCC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000591818950 1037635121 /nfs/dbraw/zinc/63/51/21/1037635121.db2.gz VHQGXNYPFKXVHS-KRWDZBQOSA-N 1 2 338.455 3.720 20 30 EHEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCCC#N ZINC000069010142 1037773974 /nfs/dbraw/zinc/77/39/74/1037773974.db2.gz WOOVBPCFCZWOCX-AWEZNQCLSA-N 1 2 329.227 3.833 20 30 EHEDLO COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCCC#N ZINC000069010142 1037773978 /nfs/dbraw/zinc/77/39/78/1037773978.db2.gz WOOVBPCFCZWOCX-AWEZNQCLSA-N 1 2 329.227 3.833 20 30 EHEDLO C[C@@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000491927849 1037792224 /nfs/dbraw/zinc/79/22/24/1037792224.db2.gz VPYASRSBSMVPFL-ZNFPLGDCSA-N 1 2 342.402 3.635 20 30 EHEDLO N#Cc1cnccc1C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000592124954 1037837651 /nfs/dbraw/zinc/83/76/51/1037837651.db2.gz OCMWVRYJLCQURB-UHFFFAOYSA-N 1 2 338.480 3.668 20 30 EHEDLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000123724510 1038061993 /nfs/dbraw/zinc/06/19/93/1038061993.db2.gz OHJIYVZCQUASQA-NEPJUHHUSA-N 1 2 345.258 3.732 20 30 EHEDLO O[C@@H]([C@H]1CCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000123724510 1038062010 /nfs/dbraw/zinc/06/20/10/1038062010.db2.gz OHJIYVZCQUASQA-NEPJUHHUSA-N 1 2 345.258 3.732 20 30 EHEDLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000123724762 1038064127 /nfs/dbraw/zinc/06/41/27/1038064127.db2.gz OHJIYVZCQUASQA-RYUDHWBXSA-N 1 2 345.258 3.732 20 30 EHEDLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1cc(F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000123724762 1038064149 /nfs/dbraw/zinc/06/41/49/1038064149.db2.gz OHJIYVZCQUASQA-RYUDHWBXSA-N 1 2 345.258 3.732 20 30 EHEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccc(Cl)cc1 ZINC000124987416 1038262816 /nfs/dbraw/zinc/26/28/16/1038262816.db2.gz URVANKVLUMXFJJ-UHFFFAOYSA-N 1 2 345.859 3.773 20 30 EHEDLO N#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000378280130 1038360977 /nfs/dbraw/zinc/36/09/77/1038360977.db2.gz KXGABLRUOUOQJN-UHFFFAOYSA-N 1 2 340.386 3.726 20 30 EHEDLO N#Cc1cnc2ccccc2c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000461443307 1038427747 /nfs/dbraw/zinc/42/77/47/1038427747.db2.gz NULKPYRUUKSZIH-UHFFFAOYSA-N 1 2 329.407 3.657 20 30 EHEDLO Cc1cccc(C2=CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000538948937 1038610549 /nfs/dbraw/zinc/61/05/49/1038610549.db2.gz NDTFZCWCBINHGJ-UHFFFAOYSA-N 1 2 331.419 3.595 20 30 EHEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000538948937 1038610556 /nfs/dbraw/zinc/61/05/56/1038610556.db2.gz NDTFZCWCBINHGJ-UHFFFAOYSA-N 1 2 331.419 3.595 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462212459 1038866497 /nfs/dbraw/zinc/86/64/97/1038866497.db2.gz JJCDQFIWSXCFON-JKSUJKDBSA-N 1 2 335.517 3.881 20 30 EHEDLO COc1ccc(Br)c(C[N@H+](C)CCC(C)(C)C#N)c1 ZINC000554260992 1039151957 /nfs/dbraw/zinc/15/19/57/1039151957.db2.gz YYSZMVKDHYYPID-UHFFFAOYSA-N 1 2 325.250 3.829 20 30 EHEDLO COc1ccc(Br)c(C[N@@H+](C)CCC(C)(C)C#N)c1 ZINC000554260992 1039151964 /nfs/dbraw/zinc/15/19/64/1039151964.db2.gz YYSZMVKDHYYPID-UHFFFAOYSA-N 1 2 325.250 3.829 20 30 EHEDLO C=C1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000893788445 1039717080 /nfs/dbraw/zinc/71/70/80/1039717080.db2.gz MLHOVOWYBAKBAV-LJQANCHMSA-N 1 2 338.455 3.603 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000433077460 1040640240 /nfs/dbraw/zinc/64/02/40/1040640240.db2.gz OJEHQKVISOCRNG-OAQYLSRUSA-N 1 2 348.446 3.727 20 30 EHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000509787067 1040831469 /nfs/dbraw/zinc/83/14/69/1040831469.db2.gz NBXSSDMQHAJLME-SECBINFHSA-N 1 2 346.066 3.803 20 30 EHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000509787067 1040831485 /nfs/dbraw/zinc/83/14/85/1040831485.db2.gz NBXSSDMQHAJLME-SECBINFHSA-N 1 2 346.066 3.803 20 30 EHEDLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066847897 1041355525 /nfs/dbraw/zinc/35/55/25/1041355525.db2.gz OVKNCGKWLDEIOF-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1ccc(OCCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000066847897 1041355536 /nfs/dbraw/zinc/35/55/36/1041355536.db2.gz OVKNCGKWLDEIOF-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO COC(=O)c1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872096 1042567526 /nfs/dbraw/zinc/56/75/26/1042567526.db2.gz ULYSKQQAFXFREW-PMACEKPBSA-N 1 2 334.419 3.745 20 30 EHEDLO COC(=O)c1ccccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872096 1042567529 /nfs/dbraw/zinc/56/75/29/1042567529.db2.gz ULYSKQQAFXFREW-PMACEKPBSA-N 1 2 334.419 3.745 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000162927818 1042769891 /nfs/dbraw/zinc/76/98/91/1042769891.db2.gz CQKXHYNYFCNPIP-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000162927818 1042769894 /nfs/dbraw/zinc/76/98/94/1042769894.db2.gz CQKXHYNYFCNPIP-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1C#N ZINC000301419880 1128590826 /nfs/dbraw/zinc/59/08/26/1128590826.db2.gz DOASIICTQDRENU-UHFFFAOYSA-N 1 2 338.430 3.835 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000185473726 1120415611 /nfs/dbraw/zinc/41/56/11/1120415611.db2.gz HGDXRNGGBAPCOS-SJORKVTESA-N 1 2 330.472 3.503 20 30 EHEDLO C=CCOc1cccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1 ZINC000185608708 1120421464 /nfs/dbraw/zinc/42/14/64/1120421464.db2.gz QYDXYTPPDAVFKJ-INIZCTEOSA-N 1 2 343.496 3.587 20 30 EHEDLO Cc1cccc(C)c1OCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757622 1120886581 /nfs/dbraw/zinc/88/65/81/1120886581.db2.gz LMLYSXBLCSOFGP-HXUWFJFHSA-N 1 2 336.435 3.627 20 30 EHEDLO Cc1cccc(C)c1OCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757622 1120886584 /nfs/dbraw/zinc/88/65/84/1120886584.db2.gz LMLYSXBLCSOFGP-HXUWFJFHSA-N 1 2 336.435 3.627 20 30 EHEDLO CC(C)CCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000762212190 1121181698 /nfs/dbraw/zinc/18/16/98/1121181698.db2.gz SCKMHZNXTGLQTC-UHFFFAOYSA-N 1 2 327.428 3.734 20 30 EHEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc21 ZINC000916151168 1122080336 /nfs/dbraw/zinc/08/03/36/1122080336.db2.gz AXLFCIUFHWRUSM-ZDUSSCGKSA-N 1 2 339.826 3.769 20 30 EHEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)Cc2ccccc21 ZINC000916151168 1122080344 /nfs/dbraw/zinc/08/03/44/1122080344.db2.gz AXLFCIUFHWRUSM-ZDUSSCGKSA-N 1 2 339.826 3.769 20 30 EHEDLO Cc1cccc(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000917026002 1122442912 /nfs/dbraw/zinc/44/29/12/1122442912.db2.gz VEWJKNMCEQXIJU-UHFFFAOYSA-N 1 2 349.463 3.810 20 30 EHEDLO CCCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100452 1122499309 /nfs/dbraw/zinc/49/93/09/1122499309.db2.gz OGNHVLIATCHMRT-CQSZACIVSA-N 1 2 327.453 3.737 20 30 EHEDLO CCCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100452 1122499311 /nfs/dbraw/zinc/49/93/11/1122499311.db2.gz OGNHVLIATCHMRT-CQSZACIVSA-N 1 2 327.453 3.737 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC001137823566 1129102858 /nfs/dbraw/zinc/10/28/58/1129102858.db2.gz KSFBKQKSSOISQQ-CYBMUJFWSA-N 1 2 333.844 3.712 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC001137823566 1129102859 /nfs/dbraw/zinc/10/28/59/1129102859.db2.gz KSFBKQKSSOISQQ-CYBMUJFWSA-N 1 2 333.844 3.712 20 30 EHEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(Cl)c1 ZINC000556914970 1123198815 /nfs/dbraw/zinc/19/88/15/1123198815.db2.gz SKMOUHYMDJIXHU-UHFFFAOYSA-N 1 2 341.842 3.801 20 30 EHEDLO CCC[N@H+](Cc1nc(CCC(C)C)no1)Cc1ccc(C#N)cc1 ZINC000064508415 1123652719 /nfs/dbraw/zinc/65/27/19/1123652719.db2.gz KRORLRUTHHRFHC-UHFFFAOYSA-N 1 2 326.444 3.942 20 30 EHEDLO CCC[N@@H+](Cc1nc(CCC(C)C)no1)Cc1ccc(C#N)cc1 ZINC000064508415 1123652725 /nfs/dbraw/zinc/65/27/25/1123652725.db2.gz KRORLRUTHHRFHC-UHFFFAOYSA-N 1 2 326.444 3.942 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000068827150 1124035601 /nfs/dbraw/zinc/03/56/01/1124035601.db2.gz GAEIZZGGYFJISD-SFHVURJKSA-N 1 2 347.462 3.766 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1cccc(C#N)c1 ZINC000068827150 1124035608 /nfs/dbraw/zinc/03/56/08/1124035608.db2.gz GAEIZZGGYFJISD-SFHVURJKSA-N 1 2 347.462 3.766 20 30 EHEDLO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000735311210 1131334404 /nfs/dbraw/zinc/33/44/04/1131334404.db2.gz BSVBXXCGUDHBLN-ZBFHGGJFSA-N 1 2 341.480 3.983 20 30 EHEDLO COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000466221981 1129314799 /nfs/dbraw/zinc/31/47/99/1129314799.db2.gz CMTWRKJGXMCAJK-OAQYLSRUSA-N 1 2 346.430 3.870 20 30 EHEDLO COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000466221981 1129314803 /nfs/dbraw/zinc/31/48/03/1129314803.db2.gz CMTWRKJGXMCAJK-OAQYLSRUSA-N 1 2 346.430 3.870 20 30 EHEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000081574353 1129429414 /nfs/dbraw/zinc/42/94/14/1129429414.db2.gz PCLXAZFLQXHVDN-YJYMSZOUSA-N 1 2 339.826 3.843 20 30 EHEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000081574353 1129429416 /nfs/dbraw/zinc/42/94/16/1129429416.db2.gz PCLXAZFLQXHVDN-YJYMSZOUSA-N 1 2 339.826 3.843 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000428941548 1129623598 /nfs/dbraw/zinc/62/35/98/1129623598.db2.gz WAJLJQRPIDPOEF-GOEBONIOSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000428941548 1129623600 /nfs/dbraw/zinc/62/36/00/1129623600.db2.gz WAJLJQRPIDPOEF-GOEBONIOSA-N 1 2 342.439 3.698 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2ccncc2)no1 ZINC000347757938 1129693414 /nfs/dbraw/zinc/69/34/14/1129693414.db2.gz WVYZGVQJUQBTRE-HNNXBMFYSA-N 1 2 339.424 3.552 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@H](CC/[NH+]=C/c2cccc(O)c2O)C1 ZINC000730950241 1130753086 /nfs/dbraw/zinc/75/30/86/1130753086.db2.gz BHAHAIXXLLUOSR-PVGUKEHMSA-N 1 2 348.443 3.554 20 30 EHEDLO COc1ccc(-c2nc(C)c(C(=O)/C=C/c3[nH]cc[nH+]3)s2)cc1 ZINC000731159701 1130774290 /nfs/dbraw/zinc/77/42/90/1130774290.db2.gz VKXTZMGGYUSYQA-BQYQJAHWSA-N 1 2 325.393 3.746 20 30 EHEDLO CN1CCCc2cc(C=[NH+]Nc3ccc(Br)nc3)ccc21 ZINC000732712837 1130947833 /nfs/dbraw/zinc/94/78/33/1130947833.db2.gz IYRQIOBERZZWFZ-UHFFFAOYSA-N 1 2 345.244 3.673 20 30 EHEDLO CCOc1ccc(/C=[NH+]/CCc2c[nH]c3ccc(OC)cc23)c(O)c1 ZINC000733081486 1130989169 /nfs/dbraw/zinc/98/91/69/1130989169.db2.gz ZRDSVYFTIJOHCI-CIAFOILYSA-N 1 2 338.407 3.942 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1c(Cl)nc2ccccn21 ZINC000737431810 1131595229 /nfs/dbraw/zinc/59/52/29/1131595229.db2.gz NUIOTYWHGVQOPS-UHFFFAOYSA-N 1 2 335.798 3.794 20 30 EHEDLO N#CCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000737445254 1131641618 /nfs/dbraw/zinc/64/16/18/1131641618.db2.gz ZETXKJWMCOYKIR-DAXSKMNVSA-N 1 2 337.766 3.786 20 30 EHEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000741790738 1131648390 /nfs/dbraw/zinc/64/83/90/1131648390.db2.gz LBQGNKZJGTZCRQ-MCIONIFRSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000741790738 1131648391 /nfs/dbraw/zinc/64/83/91/1131648391.db2.gz LBQGNKZJGTZCRQ-MCIONIFRSA-N 1 2 327.453 3.593 20 30 EHEDLO NC(=[NH+]OCc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000742352789 1131707762 /nfs/dbraw/zinc/70/77/62/1131707762.db2.gz DHWPHLJTAWMJLT-UHFFFAOYSA-N 1 2 342.292 3.604 20 30 EHEDLO CC(C)OC(=O)CC[C@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172749343 1131831122 /nfs/dbraw/zinc/83/11/22/1131831122.db2.gz ZQFFOWOAXSXCTB-QMMMGPOBSA-N 1 2 341.267 3.529 20 30 EHEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC2(CCc3ccccc32)CC1)C(=O)OCC ZINC001173690097 1132125822 /nfs/dbraw/zinc/12/58/22/1132125822.db2.gz WVXKKNJDESAZLS-QAYXBAAESA-N 1 2 339.479 3.911 20 30 EHEDLO C#Cc1cccc(N(C)C(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000103213492 1132753190 /nfs/dbraw/zinc/75/31/90/1132753190.db2.gz WGOSWCKKWBRKNZ-UHFFFAOYSA-N 1 2 349.459 3.520 20 30 EHEDLO C#Cc1cc(Nc2ccc3c(c2)CCCN3C(=O)OC(C)(C)C)cc[nH+]1 ZINC001175879798 1132780908 /nfs/dbraw/zinc/78/09/08/1132780908.db2.gz LMUSGSLGTDFIQC-UHFFFAOYSA-N 1 2 349.434 3.916 20 30 EHEDLO COc1c(Cl)cc([NH+]=C(NO)c2ccccc2N)cc1Cl ZINC001176312585 1132911295 /nfs/dbraw/zinc/91/12/95/1132911295.db2.gz UTALISSQHKBWSJ-UHFFFAOYSA-N 1 2 326.183 3.641 20 30 EHEDLO O=C(C#Cc1ccccc1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000767090057 1132947897 /nfs/dbraw/zinc/94/78/97/1132947897.db2.gz CEVZXFKZKQDAQO-UHFFFAOYSA-N 1 2 341.414 3.877 20 30 EHEDLO CC(C)(C)OC(=O)Nc1ccc(CNc2cc(CC#N)cc[nH+]2)cn1 ZINC000767289312 1132978176 /nfs/dbraw/zinc/97/81/76/1132978176.db2.gz ACTLRCDGAJGOMC-UHFFFAOYSA-N 1 2 339.399 3.502 20 30 EHEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)C[C@H]3c3ccccc3)CC2)cc1 ZINC000767986178 1133079211 /nfs/dbraw/zinc/07/92/11/1133079211.db2.gz GPEQRYKLOVJXGD-NRFANRHFSA-N 1 2 343.430 3.578 20 30 EHEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)C[C@H]3c3ccccc3)CC2)cc1 ZINC000767986178 1133079215 /nfs/dbraw/zinc/07/92/15/1133079215.db2.gz GPEQRYKLOVJXGD-NRFANRHFSA-N 1 2 343.430 3.578 20 30 EHEDLO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001178117730 1133132281 /nfs/dbraw/zinc/13/22/81/1133132281.db2.gz FSCAXIBYPZQDNB-QGZVFWFLSA-N 1 2 342.402 3.623 20 30 EHEDLO Cc1cccc(C)c1N=C1NC(=O)/C(=C/c2cccc3[nH+]ccn32)S1 ZINC000769601955 1133320644 /nfs/dbraw/zinc/32/06/44/1133320644.db2.gz KZYCYXQFDPVYFA-PTNGSMBKSA-N 1 2 348.431 3.843 20 30 EHEDLO O=C1c2cc3c(cc2OCC/C1=C/c1cccc2[nH+]ccn21)CCC3 ZINC000769615124 1133322234 /nfs/dbraw/zinc/32/22/34/1133322234.db2.gz OLBKULWYDZRFHT-WJDWOHSUSA-N 1 2 330.387 3.872 20 30 EHEDLO COc1cccc2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)oc21 ZINC000770391780 1133422552 /nfs/dbraw/zinc/42/25/52/1133422552.db2.gz PMSJVGFEGITGLZ-FQEVSTJZSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1cccc2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)oc21 ZINC000770391780 1133422557 /nfs/dbraw/zinc/42/25/57/1133422557.db2.gz PMSJVGFEGITGLZ-FQEVSTJZSA-N 1 2 348.402 3.887 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000746504953 1133428029 /nfs/dbraw/zinc/42/80/29/1133428029.db2.gz SELBONOIWOBGRB-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000746504953 1133428034 /nfs/dbraw/zinc/42/80/34/1133428034.db2.gz SELBONOIWOBGRB-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cnn(-c4ccccc4)c3)n2c1 ZINC000771862120 1133602772 /nfs/dbraw/zinc/60/27/72/1133602772.db2.gz YLLIMJHGSRYAQE-HJWRWDBZSA-N 1 2 328.375 3.725 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774820874 1134032245 /nfs/dbraw/zinc/03/22/45/1134032245.db2.gz INHQQVXIEWVPBX-UHFFFAOYSA-N 1 2 334.397 3.559 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774820874 1134032253 /nfs/dbraw/zinc/03/22/53/1134032253.db2.gz INHQQVXIEWVPBX-UHFFFAOYSA-N 1 2 334.397 3.559 20 30 EHEDLO C=C(Br)C[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000790531428 1134432308 /nfs/dbraw/zinc/43/23/08/1134432308.db2.gz BAVHNWQJJHVYGN-UHFFFAOYSA-N 1 2 328.103 3.723 20 30 EHEDLO N#Cc1ccc(CNc2c(Br)ccc3[nH+]ccn32)s1 ZINC001170209282 1134706495 /nfs/dbraw/zinc/70/64/95/1134706495.db2.gz VVPCAAFOGDXYHC-UHFFFAOYSA-N 1 2 333.214 3.642 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1nc2cc(F)c(F)cc2[nH]1 ZINC000792630451 1134744834 /nfs/dbraw/zinc/74/48/34/1134744834.db2.gz HXYQDSAQYVDXHC-UHFFFAOYSA-N 1 2 341.365 3.645 20 30 EHEDLO CCCCCCCCNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001191076697 1134789470 /nfs/dbraw/zinc/78/94/70/1134789470.db2.gz KHMAYIZYLVDKGE-QGZVFWFLSA-N 1 2 332.492 3.710 20 30 EHEDLO CC[NH+](CC)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000005292923 1134921021 /nfs/dbraw/zinc/92/10/21/1134921021.db2.gz JIJGSVTVXVRSEX-ACRNLXFHSA-N 1 2 341.411 3.802 20 30 EHEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001198490239 1135823173 /nfs/dbraw/zinc/82/31/73/1135823173.db2.gz IOLAFSZOEHLYRO-TZMCWYRMSA-N 1 2 326.396 3.613 20 30 EHEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001198490239 1135823180 /nfs/dbraw/zinc/82/31/80/1135823180.db2.gz IOLAFSZOEHLYRO-TZMCWYRMSA-N 1 2 326.396 3.613 20 30 EHEDLO N#Cc1ccc(Nc2cc(Br)cn3cc[nH+]c23)c(F)c1 ZINC001201561250 1136040368 /nfs/dbraw/zinc/04/03/68/1136040368.db2.gz SVLNTABJVWHSOJ-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(Cl)cc1 ZINC000811516317 1136104650 /nfs/dbraw/zinc/10/46/50/1136104650.db2.gz KRJCXXPUAOYCKI-KRWDZBQOSA-N 1 2 327.811 3.965 20 30 EHEDLO CC(=[NH+]Nc1ccc(F)cc1F)c1cccc(N2CCOCC2)c1 ZINC000812373905 1136202733 /nfs/dbraw/zinc/20/27/33/1136202733.db2.gz ZARNLATZSNHABD-UHFFFAOYSA-N 1 2 331.366 3.638 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(F)cc1 ZINC000812794393 1136251687 /nfs/dbraw/zinc/25/16/87/1136251687.db2.gz ZYLAVUWBGTYPNY-AWEZNQCLSA-N 1 2 349.308 3.620 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cc([N+](=O)[O-])ccc1F ZINC000814191395 1136416109 /nfs/dbraw/zinc/41/61/09/1136416109.db2.gz PLPCLFDQXFUJOF-HYXAFXHYSA-N 1 2 345.717 3.931 20 30 EHEDLO C=CC1CC[NH+](Cn2nc(C)n(CCc3cccs3)c2=S)CC1 ZINC000111166611 1136518388 /nfs/dbraw/zinc/51/83/88/1136518388.db2.gz GNNPSOXNWWCEGT-UHFFFAOYSA-N 1 2 348.541 3.882 20 30 EHEDLO CC(C)c1c(Cl)nc[nH+]c1NNC1=C[C@H](C(F)(F)F)OCC1 ZINC000814922371 1136524369 /nfs/dbraw/zinc/52/43/69/1136524369.db2.gz FWXKAGNMAXQBAG-SECBINFHSA-N 1 2 336.745 3.763 20 30 EHEDLO CC(C)c1c(Cl)nc[nH+]c1NNC1=C[C@@H](C(F)(F)F)OCC1 ZINC000814922372 1136524631 /nfs/dbraw/zinc/52/46/31/1136524631.db2.gz FWXKAGNMAXQBAG-VIFPVBQESA-N 1 2 336.745 3.763 20 30 EHEDLO N#CC1(c2ccc(C(=O)OCc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000777173878 1137095053 /nfs/dbraw/zinc/09/50/53/1137095053.db2.gz KKWIIGLHONGHDC-UHFFFAOYSA-N 1 2 343.386 3.784 20 30 EHEDLO COc1ccc2[nH]cc(C(=O)/C=C\c3ncc(C[NH+](C)C)s3)c2c1 ZINC000794703978 1137240239 /nfs/dbraw/zinc/24/02/39/1137240239.db2.gz XUIZTAOWMBKIFC-SREVYHEPSA-N 1 2 341.436 3.591 20 30 EHEDLO C=C(C)CONC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000844647724 1137244407 /nfs/dbraw/zinc/24/44/07/1137244407.db2.gz UOMJJOAKKFJZMU-UHFFFAOYSA-N 1 2 326.400 3.516 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)nc1 ZINC001144163346 1137247120 /nfs/dbraw/zinc/24/71/20/1137247120.db2.gz CHPUEIMJXGNCPR-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144253363 1137262168 /nfs/dbraw/zinc/26/21/68/1137262168.db2.gz UKSBUMAITKAPTA-UHFFFAOYSA-N 1 2 329.403 3.612 20 30 EHEDLO C=CCOCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000865341497 1137276502 /nfs/dbraw/zinc/27/65/02/1137276502.db2.gz HKSIZRXHRULCLA-UHFFFAOYSA-N 1 2 344.484 3.505 20 30 EHEDLO COC(=O)[C@H](CC1CCCCC1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171184187 1137293512 /nfs/dbraw/zinc/29/35/12/1137293512.db2.gz LHVDILFYHWZZKV-KXBFYZLASA-N 1 2 328.456 3.591 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144558771 1137309591 /nfs/dbraw/zinc/30/95/91/1137309591.db2.gz CXZQYBJSUONRDK-OAHLLOKOSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144558771 1137309593 /nfs/dbraw/zinc/30/95/93/1137309593.db2.gz CXZQYBJSUONRDK-OAHLLOKOSA-N 1 2 344.361 3.585 20 30 EHEDLO CCCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866228823 1137336516 /nfs/dbraw/zinc/33/65/16/1137336516.db2.gz NEGUGXZYPNGQCJ-CQSZACIVSA-N 1 2 340.423 3.912 20 30 EHEDLO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866235433 1137337538 /nfs/dbraw/zinc/33/75/38/1137337538.db2.gz CUHSZABXOKEKBZ-CQSZACIVSA-N 1 2 337.423 3.853 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(N2CCCC2=O)cc1 ZINC000866243649 1137338655 /nfs/dbraw/zinc/33/86/55/1137338655.db2.gz SDTJJWLUHYCBCO-CABCVRRESA-N 1 2 349.434 3.802 20 30 EHEDLO CC(C)COC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccco1 ZINC000866252824 1137339653 /nfs/dbraw/zinc/33/96/53/1137339653.db2.gz QXJCUVVAMNWRIW-RHSMWYFYSA-N 1 2 328.412 3.921 20 30 EHEDLO COC(=O)CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866295021 1137343395 /nfs/dbraw/zinc/34/33/95/1137343395.db2.gz QKUFADOKVMDBMX-RDTXWAMCSA-N 1 2 338.407 3.609 20 30 EHEDLO C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cccc(C#N)c1O ZINC000866326845 1137345972 /nfs/dbraw/zinc/34/59/72/1137345972.db2.gz MPCZXZPXNIYLJW-SJKOYZFVSA-N 1 2 326.371 3.967 20 30 EHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cscn2)ccc1OC ZINC000772987148 1137419485 /nfs/dbraw/zinc/41/94/85/1137419485.db2.gz TUUQMBRWUWJQPZ-JSGCOSHPSA-N 1 2 331.441 3.683 20 30 EHEDLO C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172313253 1137546455 /nfs/dbraw/zinc/54/64/55/1137546455.db2.gz SPAHRGXMAFALMY-VQIMIIECSA-N 1 2 347.453 3.685 20 30 EHEDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(C#N)cnc1Cl ZINC000876549146 1137655160 /nfs/dbraw/zinc/65/51/60/1137655160.db2.gz HSOSBMDJFSYZQI-UHFFFAOYSA-N 1 2 345.830 3.646 20 30 EHEDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(C#N)cnc1Cl ZINC000876549146 1137655161 /nfs/dbraw/zinc/65/51/61/1137655161.db2.gz HSOSBMDJFSYZQI-UHFFFAOYSA-N 1 2 345.830 3.646 20 30 EHEDLO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(C#N)cnc1Cl)C2 ZINC000876689229 1137659224 /nfs/dbraw/zinc/65/92/24/1137659224.db2.gz APXANIAILFXKPH-UHFFFAOYSA-N 1 2 327.815 3.564 20 30 EHEDLO COc1ccc2c(c1)CCC[N@H+](Cc1cc(C#N)cnc1Cl)C2 ZINC000876689229 1137659225 /nfs/dbraw/zinc/65/92/25/1137659225.db2.gz APXANIAILFXKPH-UHFFFAOYSA-N 1 2 327.815 3.564 20 30 EHEDLO COc1ccc(Nc2cc(Br)cn3cc[nH+]c23)c(C#N)c1 ZINC001212779869 1137662774 /nfs/dbraw/zinc/66/27/74/1137662774.db2.gz JPNCLIMWYHJBHG-UHFFFAOYSA-N 1 2 343.184 3.721 20 30 EHEDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1OC ZINC000877035743 1137668291 /nfs/dbraw/zinc/66/82/91/1137668291.db2.gz KBINAOLSOIELSB-SNVBAGLBSA-N 1 2 349.793 3.614 20 30 EHEDLO C#C[C@@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000877512830 1137679038 /nfs/dbraw/zinc/67/90/38/1137679038.db2.gz CNFIEJYFKHXISD-INIZCTEOSA-N 1 2 341.480 3.946 20 30 EHEDLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000879750456 1137757921 /nfs/dbraw/zinc/75/79/21/1137757921.db2.gz RABGNLVRXDEZJS-GOSISDBHSA-N 1 2 345.406 3.649 20 30 EHEDLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000879750456 1137757922 /nfs/dbraw/zinc/75/79/22/1137757922.db2.gz RABGNLVRXDEZJS-GOSISDBHSA-N 1 2 345.406 3.649 20 30 EHEDLO C=C1CCC(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000888818851 1137780293 /nfs/dbraw/zinc/78/02/93/1137780293.db2.gz VEPVWDCTYLJGFU-MRXNPFEDSA-N 1 2 328.456 3.765 20 30 EHEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111722779 1137905313 /nfs/dbraw/zinc/90/53/13/1137905313.db2.gz IZCFSYAQIFWUHG-UHFFFAOYSA-N 1 2 337.427 3.553 20 30 EHEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886280919 1138063933 /nfs/dbraw/zinc/06/39/33/1138063933.db2.gz OEOYJIDTDMTWDJ-OLMNPRSZSA-N 1 2 348.874 3.547 20 30 EHEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886280919 1138063935 /nfs/dbraw/zinc/06/39/35/1138063935.db2.gz OEOYJIDTDMTWDJ-OLMNPRSZSA-N 1 2 348.874 3.547 20 30 EHEDLO C#CCC1(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCC1 ZINC000886656102 1138108959 /nfs/dbraw/zinc/10/89/59/1138108959.db2.gz REVJVSSSBKFWJR-GOSISDBHSA-N 1 2 335.451 3.774 20 30 EHEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2sccc2C#N)s1 ZINC000122005467 1138253454 /nfs/dbraw/zinc/25/34/54/1138253454.db2.gz CZOIHRXHDURWRW-NSHDSACASA-N 1 2 348.497 3.579 20 30 EHEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2sccc2C#N)s1 ZINC000122005467 1138253456 /nfs/dbraw/zinc/25/34/56/1138253456.db2.gz CZOIHRXHDURWRW-NSHDSACASA-N 1 2 348.497 3.579 20 30 EHEDLO C=CCCC(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000264281333 1138462949 /nfs/dbraw/zinc/46/29/49/1138462949.db2.gz UIKRZPKUAHDZLU-UHFFFAOYSA-N 1 2 341.455 3.667 20 30 EHEDLO C=C1CC[NH+](Cc2csc(-c3cccc(OC)c3OC)n2)CC1 ZINC000264495558 1138536846 /nfs/dbraw/zinc/53/68/46/1138536846.db2.gz UNMTXYRYQYBJRC-UHFFFAOYSA-N 1 2 330.453 3.979 20 30 EHEDLO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)c1cccc(O)c1 ZINC000178376890 1139689854 /nfs/dbraw/zinc/68/98/54/1139689854.db2.gz QALFKBYFJAWKRI-CQSZACIVSA-N 1 2 348.406 3.897 20 30 EHEDLO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)c1cccc(O)c1 ZINC000178376890 1139689857 /nfs/dbraw/zinc/68/98/57/1139689857.db2.gz QALFKBYFJAWKRI-CQSZACIVSA-N 1 2 348.406 3.897 20 30 EHEDLO COc1cc(C#N)ccc1C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184154427 1140083484 /nfs/dbraw/zinc/08/34/84/1140083484.db2.gz BXJIJFWIOSBCJJ-QGZVFWFLSA-N 1 2 328.412 3.663 20 30 EHEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000189613510 1140355478 /nfs/dbraw/zinc/35/54/78/1140355478.db2.gz SOOGVKILCTYCKB-NQIIRXRSSA-N 1 2 349.478 3.647 20 30 EHEDLO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)s1 ZINC000191838088 1140489304 /nfs/dbraw/zinc/48/93/04/1140489304.db2.gz XPPWNGKQCIGCCZ-SNVBAGLBSA-N 1 2 336.258 3.937 20 30 EHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C#N)ccc1C ZINC000191877402 1140491264 /nfs/dbraw/zinc/49/12/64/1140491264.db2.gz VFSDILVWJJNTKU-UHFFFAOYSA-N 1 2 339.443 3.570 20 30 EHEDLO C=CCOCCCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270504190 1141232840 /nfs/dbraw/zinc/23/28/40/1141232840.db2.gz QUXHZJSTJSHECV-UHFFFAOYSA-N 1 2 337.423 3.523 20 30 EHEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)ccc1OC ZINC000270718909 1141261852 /nfs/dbraw/zinc/26/18/52/1141261852.db2.gz NIZJQVKNUJYYJP-AWEZNQCLSA-N 1 2 344.459 3.742 20 30 EHEDLO Cc1cc(Br)cn2c(/C=C\c3ccncc3C#N)c[nH+]c12 ZINC000349106282 1141639818 /nfs/dbraw/zinc/63/98/18/1141639818.db2.gz HQXBJODHWWQQMP-IHWYPQMZSA-N 1 2 339.196 3.842 20 30 EHEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000098072197 219078648 /nfs/dbraw/zinc/07/86/48/219078648.db2.gz XSWCERIZZYISDN-OLZOCXBDSA-N 1 2 343.496 3.844 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cccc(C#N)c1 ZINC000026323383 202141385 /nfs/dbraw/zinc/14/13/85/202141385.db2.gz OMEHVWJSBXOYQJ-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cccc(C#N)c1 ZINC000026323383 202141388 /nfs/dbraw/zinc/14/13/88/202141388.db2.gz OMEHVWJSBXOYQJ-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO N#CCC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000153464469 1125495946 /nfs/dbraw/zinc/49/59/46/1125495946.db2.gz PWRCYUDVAIJWQB-FQEVSTJZSA-N 1 2 344.418 3.706 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H](C)CC2)c1=S ZINC000748084902 1015404636 /nfs/dbraw/zinc/40/46/36/1015404636.db2.gz YGIYWBQHFWBWLW-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H](C)CC2)c1=S ZINC000748084902 1015404642 /nfs/dbraw/zinc/40/46/42/1015404642.db2.gz YGIYWBQHFWBWLW-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCCC1 ZINC000510179337 1016352555 /nfs/dbraw/zinc/35/25/55/1016352555.db2.gz FYXGXBAABLPOCL-UHFFFAOYSA-N 1 2 339.483 3.563 20 30 EHEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)cc1 ZINC001625957629 1032166767 /nfs/dbraw/zinc/16/67/67/1032166767.db2.gz UCXRXGBKIPTPEQ-QZTJIDSGSA-N 1 2 344.374 3.816 20 30 EHEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)cc1 ZINC001625957629 1032166776 /nfs/dbraw/zinc/16/67/76/1032166776.db2.gz UCXRXGBKIPTPEQ-QZTJIDSGSA-N 1 2 344.374 3.816 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000176833983 1032372526 /nfs/dbraw/zinc/37/25/26/1032372526.db2.gz FCYSOSAWRPRRJV-AWEZNQCLSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000176833983 1032372537 /nfs/dbraw/zinc/37/25/37/1032372537.db2.gz FCYSOSAWRPRRJV-AWEZNQCLSA-N 1 2 343.500 3.740 20 30 EHEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1c(F)cccc1F ZINC000537026558 1032489936 /nfs/dbraw/zinc/48/99/36/1032489936.db2.gz LBOOHXLUFPRBED-SNVBAGLBSA-N 1 2 349.768 3.779 20 30 EHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602086955 1032632013 /nfs/dbraw/zinc/63/20/13/1032632013.db2.gz FQBUGRURVXGOPF-IBGZPJMESA-N 1 2 336.439 3.557 20 30 EHEDLO CC(C)C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000602095941 1032640680 /nfs/dbraw/zinc/64/06/80/1032640680.db2.gz GYYYQWBIGCPPEW-JKSUJKDBSA-N 1 2 330.819 3.505 20 30 EHEDLO CC[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cccc(C#N)c1O ZINC000924603877 1017374827 /nfs/dbraw/zinc/37/48/27/1017374827.db2.gz MWBHEIXEMSPATL-SJORKVTESA-N 1 2 329.469 3.669 20 30 EHEDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000052074241 1018724867 /nfs/dbraw/zinc/72/48/67/1018724867.db2.gz YWZHWIMKVOPJRW-INIZCTEOSA-N 1 2 339.414 3.765 20 30 EHEDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000052074241 1018724876 /nfs/dbraw/zinc/72/48/76/1018724876.db2.gz YWZHWIMKVOPJRW-INIZCTEOSA-N 1 2 339.414 3.765 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000614351568 1018736444 /nfs/dbraw/zinc/73/64/44/1018736444.db2.gz MAJUWBXHWRAVAJ-KRWDZBQOSA-N 1 2 338.451 3.561 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000614351568 1018736459 /nfs/dbraw/zinc/73/64/59/1018736459.db2.gz MAJUWBXHWRAVAJ-KRWDZBQOSA-N 1 2 338.451 3.561 20 30 EHEDLO C[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)n1cc[nH+]c1 ZINC000580197344 1018773275 /nfs/dbraw/zinc/77/32/75/1018773275.db2.gz ZIIOZSXTGYXUMZ-NWDGAFQWSA-N 1 2 328.441 3.531 20 30 EHEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1Cl ZINC000513331364 1019547720 /nfs/dbraw/zinc/54/77/20/1019547720.db2.gz FQRVUEPMUXQPFY-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO COc1cc(C(=O)/C=C\c2c[nH+]c3ccccn23)ccc1OC(F)F ZINC000255232894 1020148650 /nfs/dbraw/zinc/14/86/50/1020148650.db2.gz ATSLQDZXQXLAQS-SREVYHEPSA-N 1 2 344.317 3.840 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2csc(COc3ccccc3)n2)s1 ZINC000345837173 1020567264 /nfs/dbraw/zinc/56/72/64/1020567264.db2.gz UPHWUJMSEULRPG-UHFFFAOYSA-N 1 2 341.461 3.945 20 30 EHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000471663444 1020969275 /nfs/dbraw/zinc/96/92/75/1020969275.db2.gz IKFVWTJWDMHBHZ-UHFFFAOYSA-N 1 2 338.455 3.672 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075596078 1021172762 /nfs/dbraw/zinc/17/27/62/1021172762.db2.gz IOGZKHVGOWWMAQ-UHFFFAOYSA-N 1 2 330.391 3.796 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075596078 1021172766 /nfs/dbraw/zinc/17/27/66/1021172766.db2.gz IOGZKHVGOWWMAQ-UHFFFAOYSA-N 1 2 330.391 3.796 20 30 EHEDLO C#Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000933365807 1021414367 /nfs/dbraw/zinc/41/43/67/1021414367.db2.gz IWMIFULBXOZFGV-GUYCJALGSA-N 1 2 342.830 3.633 20 30 EHEDLO O=c1[nH]c2ccccc2cc1C=NCc1ccccc1-n1cc[nH+]c1 ZINC000255357079 1021417733 /nfs/dbraw/zinc/41/77/33/1021417733.db2.gz UZGVGCYJBNHZJP-XKZIYDEJSA-N 1 2 328.375 3.745 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000550306385 1021565113 /nfs/dbraw/zinc/56/51/13/1021565113.db2.gz YFCYBDBIDLBKHP-DZGCQCFKSA-N 1 2 342.487 3.761 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)c1C#N ZINC000550306385 1021565127 /nfs/dbraw/zinc/56/51/27/1021565127.db2.gz YFCYBDBIDLBKHP-DZGCQCFKSA-N 1 2 342.487 3.761 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1cc(O)c(OC)cc1Br ZINC000426561753 1021927091 /nfs/dbraw/zinc/92/70/91/1021927091.db2.gz XMIYOJNVQDONOL-GFCCVEGCSA-N 1 2 326.234 3.704 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(O)c(OC)cc1Br ZINC000426561753 1021927099 /nfs/dbraw/zinc/92/70/99/1021927099.db2.gz XMIYOJNVQDONOL-GFCCVEGCSA-N 1 2 326.234 3.704 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437581688 1021975568 /nfs/dbraw/zinc/97/55/68/1021975568.db2.gz MEIVUFBBZSQOOT-UGSOOPFHSA-N 1 2 339.826 3.986 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437581688 1021975583 /nfs/dbraw/zinc/97/55/83/1021975583.db2.gz MEIVUFBBZSQOOT-UGSOOPFHSA-N 1 2 339.826 3.986 20 30 EHEDLO Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323704 1033024031 /nfs/dbraw/zinc/02/40/31/1033024031.db2.gz ABTQNVFSERRGEX-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323704 1033024045 /nfs/dbraw/zinc/02/40/45/1033024045.db2.gz ABTQNVFSERRGEX-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000111257087 1022451542 /nfs/dbraw/zinc/45/15/42/1022451542.db2.gz JDCGKDOWBWVPIG-GFCCVEGCSA-N 1 2 337.261 3.674 20 30 EHEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000328779919 1022497689 /nfs/dbraw/zinc/49/76/89/1022497689.db2.gz UGPLBANZYMUOFA-OAHLLOKOSA-N 1 2 331.441 3.795 20 30 EHEDLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000328779919 1022497697 /nfs/dbraw/zinc/49/76/97/1022497697.db2.gz UGPLBANZYMUOFA-OAHLLOKOSA-N 1 2 331.441 3.795 20 30 EHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCC(=O)CC1 ZINC000328883138 1022524901 /nfs/dbraw/zinc/52/49/01/1022524901.db2.gz XPTINYGONMBCBW-UHFFFAOYSA-N 1 2 335.407 3.949 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc(F)cc1 ZINC000894575997 1022575974 /nfs/dbraw/zinc/57/59/74/1022575974.db2.gz XYUCWIATGAYUMP-ZDUSSCGKSA-N 1 2 328.334 3.851 20 30 EHEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000330804184 1022679677 /nfs/dbraw/zinc/67/96/77/1022679677.db2.gz BJRXJVSYQKJSPI-UFBFGSQYSA-N 1 2 346.645 3.867 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331320214 1022787115 /nfs/dbraw/zinc/78/71/15/1022787115.db2.gz DWSBTFMFBZMIEG-IMSIIYSGSA-N 1 2 326.227 3.602 20 30 EHEDLO C=CC(C)(C)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000458990282 1023014711 /nfs/dbraw/zinc/01/47/11/1023014711.db2.gz REVPHPLDNRKGML-QZTJIDSGSA-N 1 2 338.455 3.623 20 30 EHEDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507205341 1023180753 /nfs/dbraw/zinc/18/07/53/1023180753.db2.gz VTNIFFRMNMRAQT-LBPRGKRZSA-N 1 2 326.350 3.677 20 30 EHEDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507205341 1023180759 /nfs/dbraw/zinc/18/07/59/1023180759.db2.gz VTNIFFRMNMRAQT-LBPRGKRZSA-N 1 2 326.350 3.677 20 30 EHEDLO CC[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@H](C)C#N ZINC000091983744 1023195880 /nfs/dbraw/zinc/19/58/80/1023195880.db2.gz AILBRCHIXVXRKV-GFCCVEGCSA-N 1 2 335.245 3.706 20 30 EHEDLO CC[N@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@H](C)C#N ZINC000091983744 1023195887 /nfs/dbraw/zinc/19/58/87/1023195887.db2.gz AILBRCHIXVXRKV-GFCCVEGCSA-N 1 2 335.245 3.706 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000341991658 1023745166 /nfs/dbraw/zinc/74/51/66/1023745166.db2.gz OKTMDQFDNRYYHW-UHFFFAOYSA-N 1 2 333.501 3.943 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000341994464 1023746861 /nfs/dbraw/zinc/74/68/61/1023746861.db2.gz QKVCWKZZCQJFBE-UHFFFAOYSA-N 1 2 345.830 3.747 20 30 EHEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCCCC12CCCC2 ZINC000329838060 1024217359 /nfs/dbraw/zinc/21/73/59/1024217359.db2.gz VPDLKEAJJOZQOM-INIZCTEOSA-N 1 2 330.476 3.726 20 30 EHEDLO O=C(N[C@@H]1CCCCC12CCCC2)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329838446 1024218627 /nfs/dbraw/zinc/21/86/27/1024218627.db2.gz VQRIZQYEVVKEOZ-DLBZAZTESA-N 1 2 330.476 3.765 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCSC(C)(C)C1 ZINC000434894791 1024485950 /nfs/dbraw/zinc/48/59/50/1024485950.db2.gz IYZAZCNEVOBCAQ-UHFFFAOYSA-N 1 2 336.526 3.731 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCSC(C)(C)C1 ZINC000434894791 1024485958 /nfs/dbraw/zinc/48/59/58/1024485958.db2.gz IYZAZCNEVOBCAQ-UHFFFAOYSA-N 1 2 336.526 3.731 20 30 EHEDLO COc1ccccc1/C=C\C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000434990310 1024545133 /nfs/dbraw/zinc/54/51/33/1024545133.db2.gz GPWJTWUSRYTNOJ-HWDCPHDLSA-N 1 2 347.462 3.591 20 30 EHEDLO C=CCCC(C)(C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000664469592 1024628742 /nfs/dbraw/zinc/62/87/42/1024628742.db2.gz LTGQNGVXYUUQLO-UHFFFAOYSA-N 1 2 336.505 3.995 20 30 EHEDLO C=CC[C@H](CC)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000281273474 1024832762 /nfs/dbraw/zinc/83/27/62/1024832762.db2.gz HOQQBHJSMHEEMS-SFHVURJKSA-N 1 2 344.503 3.684 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000425369304 1024886812 /nfs/dbraw/zinc/88/68/12/1024886812.db2.gz ZYOCGAXUHZHDJX-QZTJIDSGSA-N 1 2 330.790 3.659 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1F ZINC000425369304 1024886828 /nfs/dbraw/zinc/88/68/28/1024886828.db2.gz ZYOCGAXUHZHDJX-QZTJIDSGSA-N 1 2 330.790 3.659 20 30 EHEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1cc(C#N)ccc1F ZINC000346680516 1025014884 /nfs/dbraw/zinc/01/48/84/1025014884.db2.gz XPAJWQHEHLSFIE-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO CCc1ccc(C[NH+]2CCN(c3nccc(C#N)c3Cl)CC2)s1 ZINC000342349913 1025014834 /nfs/dbraw/zinc/01/48/34/1025014834.db2.gz OKPHQTZYHBXSJY-UHFFFAOYSA-N 1 2 346.887 3.553 20 30 EHEDLO CC[N@H+](Cc1ccc(OC)cc1OC)Cc1cc(C#N)ccc1F ZINC000346680516 1025014895 /nfs/dbraw/zinc/01/48/95/1025014895.db2.gz XPAJWQHEHLSFIE-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCC(C)(C)C#N ZINC000602937690 1033260591 /nfs/dbraw/zinc/26/05/91/1033260591.db2.gz LIBXQDYQICDFCJ-MRXNPFEDSA-N 1 2 336.863 3.734 20 30 EHEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc(C#N)cs3)n2)c1 ZINC000237354627 1025058630 /nfs/dbraw/zinc/05/86/30/1025058630.db2.gz CQOYOGWZTVHNLC-NSHDSACASA-N 1 2 340.408 3.529 20 30 EHEDLO C=CCCC(C)(C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000598521408 1033261643 /nfs/dbraw/zinc/26/16/43/1033261643.db2.gz GMRXKZRNWWIDTH-UHFFFAOYSA-N 1 2 331.485 3.737 20 30 EHEDLO C=CCC(CC=C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474644582 1025279877 /nfs/dbraw/zinc/27/98/77/1025279877.db2.gz CDHMVYSZWIHQEW-UHFFFAOYSA-N 1 2 332.875 3.583 20 30 EHEDLO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474644582 1025279889 /nfs/dbraw/zinc/27/98/89/1025279889.db2.gz CDHMVYSZWIHQEW-UHFFFAOYSA-N 1 2 332.875 3.583 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CCF)CC1 ZINC000602946947 1033274216 /nfs/dbraw/zinc/27/42/16/1033274216.db2.gz FTCMWDUCOQJABA-LBPRGKRZSA-N 1 2 349.475 3.507 20 30 EHEDLO Cc1cc2cccnc2c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000329087288 1025595954 /nfs/dbraw/zinc/59/59/54/1025595954.db2.gz VFMUEIDKSFRXHT-UHFFFAOYSA-N 1 2 335.411 3.691 20 30 EHEDLO Cc1cc2cccnc2c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000329087288 1025595966 /nfs/dbraw/zinc/59/59/66/1025595966.db2.gz VFMUEIDKSFRXHT-UHFFFAOYSA-N 1 2 335.411 3.691 20 30 EHEDLO Cc1cc(Cl)c2ncc(C#N)c(N(C)CCCn3cc[nH+]c3)c2c1 ZINC000338485596 1026081467 /nfs/dbraw/zinc/08/14/67/1026081467.db2.gz WZYHFCOKHYIODL-UHFFFAOYSA-N 1 2 339.830 3.791 20 30 EHEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000511110881 1026084022 /nfs/dbraw/zinc/08/40/22/1026084022.db2.gz SKUOWUZBJBUTEE-FQEVSTJZSA-N 1 2 341.476 3.529 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000511110881 1026084036 /nfs/dbraw/zinc/08/40/36/1026084036.db2.gz SKUOWUZBJBUTEE-FQEVSTJZSA-N 1 2 341.476 3.529 20 30 EHEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000897264260 1026607119 /nfs/dbraw/zinc/60/71/19/1026607119.db2.gz WXLCXLSCQOCORM-MSOLQXFVSA-N 1 2 334.410 3.573 20 30 EHEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000897264260 1026607124 /nfs/dbraw/zinc/60/71/24/1026607124.db2.gz WXLCXLSCQOCORM-MSOLQXFVSA-N 1 2 334.410 3.573 20 30 EHEDLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323123 1027729978 /nfs/dbraw/zinc/72/99/78/1027729978.db2.gz CQZRWXHIZVVCRW-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323123 1027729999 /nfs/dbraw/zinc/72/99/99/1027729999.db2.gz CQZRWXHIZVVCRW-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459344698 1027751275 /nfs/dbraw/zinc/75/12/75/1027751275.db2.gz UMZWASWFWZFBEG-QGZVFWFLSA-N 1 2 337.379 3.812 20 30 EHEDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459344698 1027751293 /nfs/dbraw/zinc/75/12/93/1027751293.db2.gz UMZWASWFWZFBEG-QGZVFWFLSA-N 1 2 337.379 3.812 20 30 EHEDLO C=CCCCN(CC)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000892314452 1028065447 /nfs/dbraw/zinc/06/54/47/1028065447.db2.gz WSPAIGQPNJKFKU-UHFFFAOYSA-N 1 2 330.407 3.509 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(OC(F)F)cc1 ZINC000162266064 1028528186 /nfs/dbraw/zinc/52/81/86/1028528186.db2.gz AGGNFJZTXHUGAC-UHFFFAOYSA-N 1 2 333.338 3.978 20 30 EHEDLO Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(C)(C#N)CC3)n2)ccc1F ZINC000272490906 1029481021 /nfs/dbraw/zinc/48/10/21/1029481021.db2.gz CHSAZEHPFFYPMN-CYBMUJFWSA-N 1 2 328.391 3.871 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCc1ccc(CC)s1)Cc1cccs1 ZINC000524754150 1029485599 /nfs/dbraw/zinc/48/55/99/1029485599.db2.gz WPNYBTFKRIATKC-UHFFFAOYSA-N 1 2 334.510 3.676 20 30 EHEDLO C=CC[N@H+](CC(=O)NCc1ccc(CC)s1)Cc1cccs1 ZINC000524754150 1029485612 /nfs/dbraw/zinc/48/56/12/1029485612.db2.gz WPNYBTFKRIATKC-UHFFFAOYSA-N 1 2 334.510 3.676 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)cccc1OC ZINC000513890647 1029564113 /nfs/dbraw/zinc/56/41/13/1029564113.db2.gz RBYGUDLSUJCCAF-UHFFFAOYSA-N 1 2 344.842 3.869 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)cccc1OC ZINC000513890647 1029564119 /nfs/dbraw/zinc/56/41/19/1029564119.db2.gz RBYGUDLSUJCCAF-UHFFFAOYSA-N 1 2 344.842 3.869 20 30 EHEDLO C=C(C)C(=O)NCCCNc1[nH+]ccc2cccc(C(F)(F)F)c21 ZINC001167666259 1029613274 /nfs/dbraw/zinc/61/32/74/1029613274.db2.gz COBUHMFUQHWKHQ-UHFFFAOYSA-N 1 2 337.345 3.748 20 30 EHEDLO CCCNc1ccc(C#N)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000525169152 1029728046 /nfs/dbraw/zinc/72/80/46/1029728046.db2.gz VSOXCPKJDJOXLQ-UHFFFAOYSA-N 1 2 347.422 3.518 20 30 EHEDLO N#Cc1ccccc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022776422 1030490004 /nfs/dbraw/zinc/49/00/04/1030490004.db2.gz HGYQNDRPMXIMRB-UHFFFAOYSA-N 1 2 325.843 3.529 20 30 EHEDLO C=CC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646416 1030490745 /nfs/dbraw/zinc/49/07/45/1030490745.db2.gz XYTDZWMJZCEPSB-UHFFFAOYSA-N 1 2 328.416 3.735 20 30 EHEDLO C=CC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646416 1030490747 /nfs/dbraw/zinc/49/07/47/1030490747.db2.gz XYTDZWMJZCEPSB-UHFFFAOYSA-N 1 2 328.416 3.735 20 30 EHEDLO CC1=C(C)C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000483337055 1031110511 /nfs/dbraw/zinc/11/05/11/1031110511.db2.gz IOLUMBSSAJPDFY-CQSZACIVSA-N 1 2 343.496 3.919 20 30 EHEDLO CC1=C(C)C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000483337055 1031110522 /nfs/dbraw/zinc/11/05/22/1031110522.db2.gz IOLUMBSSAJPDFY-CQSZACIVSA-N 1 2 343.496 3.919 20 30 EHEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCCC1 ZINC000448628442 1031347268 /nfs/dbraw/zinc/34/72/68/1031347268.db2.gz AEJRYMGUEJHEFG-UHFFFAOYSA-N 1 2 327.472 3.825 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1C ZINC000177602253 1031578849 /nfs/dbraw/zinc/57/88/49/1031578849.db2.gz RHXUVIOOKPAVRF-OAHLLOKOSA-N 1 2 326.440 3.872 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c1C ZINC000177602253 1031578863 /nfs/dbraw/zinc/57/88/63/1031578863.db2.gz RHXUVIOOKPAVRF-OAHLLOKOSA-N 1 2 326.440 3.872 20 30 EHEDLO C=C[C@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000179288203 1031762171 /nfs/dbraw/zinc/76/21/71/1031762171.db2.gz FUKNUNRNIQYDPG-QZTJIDSGSA-N 1 2 337.467 3.561 20 30 EHEDLO CC(C)(C#N)C[C@@H](O)CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC000598728937 1033421183 /nfs/dbraw/zinc/42/11/83/1033421183.db2.gz GOICMKVUGPMRFU-MRXNPFEDSA-N 1 2 334.423 3.943 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(C2CC2)no1 ZINC000594921574 1033547516 /nfs/dbraw/zinc/54/75/16/1033547516.db2.gz DFLIPBUAVNINQC-QGZVFWFLSA-N 1 2 336.439 3.989 20 30 EHEDLO Cc1cccn2cc(CC(=O)Nc3ccc(C(C)(C)C#N)cc3)[nH+]c12 ZINC000608783141 1033886686 /nfs/dbraw/zinc/88/66/86/1033886686.db2.gz GLVHCPXJJMUUFL-UHFFFAOYSA-N 1 2 332.407 3.625 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595673956 1033944838 /nfs/dbraw/zinc/94/48/38/1033944838.db2.gz GXSUTYSZALJWPP-AYBZRNKSSA-N 1 2 343.471 3.640 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595673956 1033944851 /nfs/dbraw/zinc/94/48/51/1033944851.db2.gz GXSUTYSZALJWPP-AYBZRNKSSA-N 1 2 343.471 3.640 20 30 EHEDLO CC(C)[N@@H+]1CCCC[C@@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000596260569 1034153218 /nfs/dbraw/zinc/15/32/18/1034153218.db2.gz KQHQSNWTMJVYTF-OAHLLOKOSA-N 1 2 332.492 3.605 20 30 EHEDLO CC(C)[N@H+]1CCCC[C@@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000596260569 1034153223 /nfs/dbraw/zinc/15/32/23/1034153223.db2.gz KQHQSNWTMJVYTF-OAHLLOKOSA-N 1 2 332.492 3.605 20 30 EHEDLO C=CCC1(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCCC1 ZINC000456374438 1034367783 /nfs/dbraw/zinc/36/77/83/1034367783.db2.gz WZHGLOZOZCTZJC-UHFFFAOYSA-N 1 2 337.467 3.869 20 30 EHEDLO N#CC1(c2ccc(CN3CC[NH+](Cc4ccsc4)CC3)cc2)CC1 ZINC000596978647 1034477139 /nfs/dbraw/zinc/47/71/39/1034477139.db2.gz BUJXIPIYKWGVKV-UHFFFAOYSA-N 1 2 337.492 3.621 20 30 EHEDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597152017 1034567074 /nfs/dbraw/zinc/56/70/74/1034567074.db2.gz VIZIHNCTSQVHID-HNNXBMFYSA-N 1 2 340.467 3.936 20 30 EHEDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597152017 1034567085 /nfs/dbraw/zinc/56/70/85/1034567085.db2.gz VIZIHNCTSQVHID-HNNXBMFYSA-N 1 2 340.467 3.936 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597185728 1034589479 /nfs/dbraw/zinc/58/94/79/1034589479.db2.gz BZCMUIGFJDUSLL-MGPQQGTHSA-N 1 2 340.452 3.557 20 30 EHEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597229556 1034610780 /nfs/dbraw/zinc/61/07/80/1034610780.db2.gz MHDDJYBZRCSMOP-OAQYLSRUSA-N 1 2 331.419 3.873 20 30 EHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597229556 1034610788 /nfs/dbraw/zinc/61/07/88/1034610788.db2.gz MHDDJYBZRCSMOP-OAQYLSRUSA-N 1 2 331.419 3.873 20 30 EHEDLO COc1ccc(-c2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)o2)c([N+](=O)[O-])c1 ZINC000597231589 1034614377 /nfs/dbraw/zinc/61/43/77/1034614377.db2.gz ZLDQGIBEQUGJQM-GOSISDBHSA-N 1 2 341.367 3.599 20 30 EHEDLO COc1ccc(-c2ccc(C[N@H+]3CC[C@](C)(C#N)C3)o2)c([N+](=O)[O-])c1 ZINC000597231589 1034614388 /nfs/dbraw/zinc/61/43/88/1034614388.db2.gz ZLDQGIBEQUGJQM-GOSISDBHSA-N 1 2 341.367 3.599 20 30 EHEDLO N#C[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000597340937 1034681757 /nfs/dbraw/zinc/68/17/57/1034681757.db2.gz AMDFKLKVEOSXCA-QZTJIDSGSA-N 1 2 336.439 3.520 20 30 EHEDLO C=CCOc1ccc(-c2nnc(SCCCn3cc[nH+]c3)o2)cc1 ZINC000185624903 1035504872 /nfs/dbraw/zinc/50/48/72/1035504872.db2.gz JUQWFAFJORGIHJ-UHFFFAOYSA-N 1 2 342.424 3.680 20 30 EHEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)c1C#N ZINC000581779342 1035551172 /nfs/dbraw/zinc/55/11/72/1035551172.db2.gz XYKJZAKVBMYPEW-CYBMUJFWSA-N 1 2 346.887 3.860 20 30 EHEDLO Cc1cccc(CCCNc2c(C#N)cnc3c(F)ccc(F)c32)[nH+]1 ZINC000588062731 1035715992 /nfs/dbraw/zinc/71/59/92/1035715992.db2.gz MNXKOFVSVZNZKM-UHFFFAOYSA-N 1 2 338.361 3.555 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Br)[C@H]1[C@@H]1CCCO1 ZINC000589272761 1036335069 /nfs/dbraw/zinc/33/50/69/1036335069.db2.gz VGVXYHCHEHFOSS-HOTGVXAUSA-N 1 2 349.272 3.710 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Br)[C@H]1[C@@H]1CCCO1 ZINC000589272761 1036335086 /nfs/dbraw/zinc/33/50/86/1036335086.db2.gz VGVXYHCHEHFOSS-HOTGVXAUSA-N 1 2 349.272 3.710 20 30 EHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000057797414 1037179591 /nfs/dbraw/zinc/17/95/91/1037179591.db2.gz KJGCIYYLIWZJJB-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO C[C@H]1CCc2sc(NC(=O)CCCn3cc[nH+]c3)c(C#N)c2[C@H]1C ZINC000591003873 1037184475 /nfs/dbraw/zinc/18/44/75/1037184475.db2.gz LCINHGSMRKKVEM-STQMWFEESA-N 1 2 342.468 3.921 20 30 EHEDLO Cc1cccn2c(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cnc12 ZINC000539827322 1037251713 /nfs/dbraw/zinc/25/17/13/1037251713.db2.gz QHIBGRLRBHSEMV-WOJBJXKFSA-N 1 2 330.435 3.915 20 30 EHEDLO Cc1cccn2c(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cnc12 ZINC000539827322 1037251728 /nfs/dbraw/zinc/25/17/28/1037251728.db2.gz QHIBGRLRBHSEMV-WOJBJXKFSA-N 1 2 330.435 3.915 20 30 EHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168459052 1037267220 /nfs/dbraw/zinc/26/72/20/1037267220.db2.gz JYQYEHABMODZBY-UZLBHIALSA-N 1 2 341.426 3.687 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1F ZINC000491351895 1037412581 /nfs/dbraw/zinc/41/25/81/1037412581.db2.gz WJPQZRLJWOYZTQ-SFHVURJKSA-N 1 2 330.790 3.902 20 30 EHEDLO Cc1cc(C)c2ncc(C#N)c(NCCCCNc3cccc[nH+]3)c2c1 ZINC000462809138 1037428140 /nfs/dbraw/zinc/42/81/40/1037428140.db2.gz GBQAVQXPUVQPRO-UHFFFAOYSA-N 1 2 345.450 3.844 20 30 EHEDLO C#CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@@H]1CCc2ccccc21 ZINC000491452510 1037479990 /nfs/dbraw/zinc/47/99/90/1037479990.db2.gz LJJDGGDCWVUBBV-GOSISDBHSA-N 1 2 340.373 3.526 20 30 EHEDLO C#CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@@H]1CCc2ccccc21 ZINC000491452510 1037480009 /nfs/dbraw/zinc/48/00/09/1037480009.db2.gz LJJDGGDCWVUBBV-GOSISDBHSA-N 1 2 340.373 3.526 20 30 EHEDLO CC1(C)C[NH+](Cc2cc(C#N)ccc2Br)CC(C)(C)O1 ZINC000493689459 1037546799 /nfs/dbraw/zinc/54/67/99/1037546799.db2.gz YFGAKVIJVJDXOI-UHFFFAOYSA-N 1 2 337.261 3.710 20 30 EHEDLO COc1ccc2oc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2c1 ZINC000378376182 1038544645 /nfs/dbraw/zinc/54/46/45/1038544645.db2.gz KGRPBEAOHBZKLU-OAQYLSRUSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1ccc2oc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc2c1 ZINC000378376182 1038544651 /nfs/dbraw/zinc/54/46/51/1038544651.db2.gz KGRPBEAOHBZKLU-OAQYLSRUSA-N 1 2 348.402 3.887 20 30 EHEDLO C=CCN(C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000539027317 1038645230 /nfs/dbraw/zinc/64/52/30/1038645230.db2.gz AJODVWIXSNNIGB-IBGZPJMESA-N 1 2 338.455 3.601 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462212456 1038865683 /nfs/dbraw/zinc/86/56/83/1038865683.db2.gz JJCDQFIWSXCFON-CVEARBPZSA-N 1 2 335.517 3.881 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186414225 1039360288 /nfs/dbraw/zinc/36/02/88/1039360288.db2.gz DPFUPULGVNXECL-CQSZACIVSA-N 1 2 343.427 3.570 20 30 EHEDLO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(C#N)cc1 ZINC000042099861 1039611162 /nfs/dbraw/zinc/61/11/62/1039611162.db2.gz MUBWIQXXWIIQGY-AWEZNQCLSA-N 1 2 340.390 3.860 20 30 EHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614168666 1040341836 /nfs/dbraw/zinc/34/18/36/1040341836.db2.gz OQRLDCSDPDQEKR-SFHVURJKSA-N 1 2 348.494 3.762 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000614175530 1040379403 /nfs/dbraw/zinc/37/94/03/1040379403.db2.gz SCYQYYHGQKNDKO-LJQANCHMSA-N 1 2 336.826 3.939 20 30 EHEDLO Cc1cccn2cc(C[S@](=O)CCCCC3(C#N)CCC3)[nH+]c12 ZINC000899395569 1040438193 /nfs/dbraw/zinc/43/81/93/1040438193.db2.gz SYQGSSZVQXPUHK-HSZRJFAPSA-N 1 2 329.469 3.756 20 30 EHEDLO CC(C)(C#N)C[NH2+]Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC000600144880 1040723357 /nfs/dbraw/zinc/72/33/57/1040723357.db2.gz PJNOAVLKQDVHBI-UHFFFAOYSA-N 1 2 338.386 3.905 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)C[C@@H](C)C#N)o2)cc1 ZINC000614231912 1040768490 /nfs/dbraw/zinc/76/84/90/1040768490.db2.gz WJRUGCLYPOUFPU-AWEZNQCLSA-N 1 2 326.396 3.715 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)C[C@@H](C)C#N)o2)cc1 ZINC000614231912 1040768504 /nfs/dbraw/zinc/76/85/04/1040768504.db2.gz WJRUGCLYPOUFPU-AWEZNQCLSA-N 1 2 326.396 3.715 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(N4CCCC4=O)cc3)n2c1 ZINC000151398474 1040853047 /nfs/dbraw/zinc/85/30/47/1040853047.db2.gz CDMFBBBRRIFERZ-MDZDMXLPSA-N 1 2 345.402 3.666 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H](C)COC ZINC000661247410 1042030975 /nfs/dbraw/zinc/03/09/75/1042030975.db2.gz OMWHUGHMAKXIIK-CYBMUJFWSA-N 1 2 347.484 3.700 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@H](C)COC ZINC000661247410 1042030982 /nfs/dbraw/zinc/03/09/82/1042030982.db2.gz OMWHUGHMAKXIIK-CYBMUJFWSA-N 1 2 347.484 3.700 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045405372 1042083772 /nfs/dbraw/zinc/08/37/72/1042083772.db2.gz CGTUWDHKZFPVKU-UHFFFAOYSA-N 1 2 344.418 3.796 20 30 EHEDLO O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)Nc1nc2ccccc2s1 ZINC000330284167 1042814419 /nfs/dbraw/zinc/81/44/19/1042814419.db2.gz XCYKEGPWHQZIKA-CQSZACIVSA-N 1 2 345.468 3.633 20 30 EHEDLO O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)Nc1nc2ccccc2s1 ZINC000330284167 1042814422 /nfs/dbraw/zinc/81/44/22/1042814422.db2.gz XCYKEGPWHQZIKA-CQSZACIVSA-N 1 2 345.468 3.633 20 30 EHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(C2CCCC2)n1 ZINC000344115466 1043278159 /nfs/dbraw/zinc/27/81/59/1043278159.db2.gz NTBCTOXAWSYWJC-UHFFFAOYSA-N 1 2 338.455 3.518 20 30 EHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(C2CCCC2)n1 ZINC000344115466 1043278176 /nfs/dbraw/zinc/27/81/76/1043278176.db2.gz NTBCTOXAWSYWJC-UHFFFAOYSA-N 1 2 338.455 3.518 20 30 EHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001299258320 1127158432 /nfs/dbraw/zinc/15/84/32/1127158432.db2.gz FLLLRGUOAYTXGE-IBGZPJMESA-N 1 2 331.419 3.790 20 30 EHEDLO C=CC[N@@H+](Cc1cnn(CC(C)C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000183214350 1127367942 /nfs/dbraw/zinc/36/79/42/1127367942.db2.gz VAKUMOUNUVHODX-UHFFFAOYSA-N 1 2 328.416 3.636 20 30 EHEDLO C=CC[N@H+](Cc1cnn(CC(C)C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000183214350 1127367947 /nfs/dbraw/zinc/36/79/47/1127367947.db2.gz VAKUMOUNUVHODX-UHFFFAOYSA-N 1 2 328.416 3.636 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000130789785 1127896740 /nfs/dbraw/zinc/89/67/40/1127896740.db2.gz KTOGAMPRVYQCEV-UHFFFAOYSA-N 1 2 347.321 3.700 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000130789785 1127896745 /nfs/dbraw/zinc/89/67/45/1127896745.db2.gz KTOGAMPRVYQCEV-UHFFFAOYSA-N 1 2 347.321 3.700 20 30 EHEDLO CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000347556471 1128081168 /nfs/dbraw/zinc/08/11/68/1128081168.db2.gz MNWHSYJSPHQFEE-OAHLLOKOSA-N 1 2 343.452 3.650 20 30 EHEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000347556471 1128081173 /nfs/dbraw/zinc/08/11/73/1128081173.db2.gz MNWHSYJSPHQFEE-OAHLLOKOSA-N 1 2 343.452 3.650 20 30 EHEDLO C=CC(C)(C)CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000624463239 1128367947 /nfs/dbraw/zinc/36/79/47/1128367947.db2.gz AFPNDNDCPDMQSX-UHFFFAOYSA-N 1 2 344.503 3.711 20 30 EHEDLO N#Cc1cnc2ccc(Cl)cc2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301789061 1128605377 /nfs/dbraw/zinc/60/53/77/1128605377.db2.gz XZPMOYYYSSYLMF-OAHLLOKOSA-N 1 2 349.825 3.846 20 30 EHEDLO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000303234404 1128671125 /nfs/dbraw/zinc/67/11/25/1128671125.db2.gz ZQRJJQNGGVWOJY-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO CCc1cnc(C[NH2+]Cc2cc(C#N)ccc2Br)s1 ZINC000921794252 1128769485 /nfs/dbraw/zinc/76/94/85/1128769485.db2.gz RZAOGCYVZNCXOA-UHFFFAOYSA-N 1 2 336.258 3.629 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cc(Br)ncc1F ZINC000762419843 1121292109 /nfs/dbraw/zinc/29/21/09/1121292109.db2.gz CVHVWPSJADTFQR-SNAWJCMRSA-N 1 2 346.159 3.527 20 30 EHEDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC000026323302 1121652007 /nfs/dbraw/zinc/65/20/07/1121652007.db2.gz VHOPVJQIKUKDNC-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC000026323302 1121652011 /nfs/dbraw/zinc/65/20/11/1121652011.db2.gz VHOPVJQIKUKDNC-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO COc1ccc2c(c1)C(=NNc1cc[nH+]c3ccccc13)CCCO2 ZINC000763171982 1121781863 /nfs/dbraw/zinc/78/18/63/1121781863.db2.gz BGRDXWNZKZGIFT-UHFFFAOYSA-N 1 2 333.391 3.654 20 30 EHEDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1ccc(C#N)cc1 ZINC000496624357 1122137574 /nfs/dbraw/zinc/13/75/74/1122137574.db2.gz OHSZYYKWTYFQSS-UHFFFAOYSA-N 1 2 338.411 3.590 20 30 EHEDLO CCOc1ccc(/C=[NH+]/CCCc2ccc(OC)c(OC)c2)c(O)c1 ZINC000920832959 1123429015 /nfs/dbraw/zinc/42/90/15/1123429015.db2.gz ADSHYKITDUTFPK-KGENOOAVSA-N 1 2 343.423 3.860 20 30 EHEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)nc2ccccc12 ZINC000609890935 1123687874 /nfs/dbraw/zinc/68/78/74/1123687874.db2.gz ICTOKBLERHLXOP-UHFFFAOYSA-N 1 2 329.407 3.657 20 30 EHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1c(Cl)nc2sccn21 ZINC000180314778 1123985186 /nfs/dbraw/zinc/98/51/86/1123985186.db2.gz FFJDSMYMPBEIEO-SNAWJCMRSA-N 1 2 328.784 3.593 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2cc(Cl)ccc2OCC#N)ccc1F ZINC000735303035 1131329908 /nfs/dbraw/zinc/32/99/08/1131329908.db2.gz JGFMFRJXOVSPOD-UHFFFAOYSA-N 1 2 347.777 3.527 20 30 EHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182391816 1125272609 /nfs/dbraw/zinc/27/26/09/1125272609.db2.gz ODFXDOPPVAMZEE-UHFFFAOYSA-N 1 2 328.412 3.650 20 30 EHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)oc2cc(O)ccc12 ZINC000182391816 1125272615 /nfs/dbraw/zinc/27/26/15/1125272615.db2.gz ODFXDOPPVAMZEE-UHFFFAOYSA-N 1 2 328.412 3.650 20 30 EHEDLO COc1cc(C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)ccc1C#N ZINC000619674355 1125379601 /nfs/dbraw/zinc/37/96/01/1125379601.db2.gz GLZKJOWBDANQGD-UHFFFAOYSA-N 1 2 331.419 3.915 20 30 EHEDLO COc1cc(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)ccc1C#N ZINC000619674355 1125379604 /nfs/dbraw/zinc/37/96/04/1125379604.db2.gz GLZKJOWBDANQGD-UHFFFAOYSA-N 1 2 331.419 3.915 20 30 EHEDLO N#Cc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1Cl ZINC000068428099 1129370018 /nfs/dbraw/zinc/37/00/18/1129370018.db2.gz DGCLNDMGSNPVPS-MRXNPFEDSA-N 1 2 347.871 3.759 20 30 EHEDLO N#Cc1ccc(Br)c(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000922473273 1129545086 /nfs/dbraw/zinc/54/50/86/1129545086.db2.gz SHTMONLEUFWJME-UHFFFAOYSA-N 1 2 348.269 3.556 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922526661 1129562594 /nfs/dbraw/zinc/56/25/94/1129562594.db2.gz SYAPYFSLZCXCGS-FMEYXAORSA-N 1 2 326.371 3.539 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1OC ZINC000922527893 1129563328 /nfs/dbraw/zinc/56/33/28/1129563328.db2.gz ZWLYUYSZTBUEMN-UZLBHIALSA-N 1 2 343.398 3.821 20 30 EHEDLO OC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(Cl)c1F ZINC000499937539 1129578755 /nfs/dbraw/zinc/57/87/55/1129578755.db2.gz SYSUCENPQMDJRA-INIZCTEOSA-N 1 2 338.209 3.807 20 30 EHEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(C#N)cs1 ZINC000093660519 1129598372 /nfs/dbraw/zinc/59/83/72/1129598372.db2.gz ZOPDMGLHMMIBCA-UHFFFAOYSA-N 1 2 327.453 3.697 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(C#N)cs1 ZINC000093660519 1129598374 /nfs/dbraw/zinc/59/83/74/1129598374.db2.gz ZOPDMGLHMMIBCA-UHFFFAOYSA-N 1 2 327.453 3.697 20 30 EHEDLO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000428957001 1129641072 /nfs/dbraw/zinc/64/10/72/1129641072.db2.gz RHKLPDLOZZPJEE-IIMJZQEZSA-N 1 2 328.431 3.867 20 30 EHEDLO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000428957001 1129641073 /nfs/dbraw/zinc/64/10/73/1129641073.db2.gz RHKLPDLOZZPJEE-IIMJZQEZSA-N 1 2 328.431 3.867 20 30 EHEDLO CC(C)CCc1noc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000058396930 1129941962 /nfs/dbraw/zinc/94/19/62/1129941962.db2.gz HMIOPTWCQYSXBD-UHFFFAOYSA-N 1 2 326.444 3.940 20 30 EHEDLO CC(C)CCc1noc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000058396930 1129941964 /nfs/dbraw/zinc/94/19/64/1129941964.db2.gz HMIOPTWCQYSXBD-UHFFFAOYSA-N 1 2 326.444 3.940 20 30 EHEDLO CCCCCCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000731249003 1130781592 /nfs/dbraw/zinc/78/15/92/1130781592.db2.gz PMILIXAKAJWMDD-LJQANCHMSA-N 1 2 333.472 3.698 20 30 EHEDLO CN(C)c1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000737444957 1131640039 /nfs/dbraw/zinc/64/00/39/1131640039.db2.gz WGTCVLLCPMGDSD-CMDGGOBGSA-N 1 2 325.799 3.950 20 30 EHEDLO C=CC[C@@H]([NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F)C(=O)OC ZINC001172578501 1131791948 /nfs/dbraw/zinc/79/19/48/1131791948.db2.gz OMSCGUHVEVLZNB-ZUZCIYMTSA-N 1 2 331.790 3.647 20 30 EHEDLO C=CCOC1CCC([N@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173326293 1132048262 /nfs/dbraw/zinc/04/82/62/1132048262.db2.gz YCXKQXCQKDXSFY-DAWZGUTISA-N 1 2 342.474 3.696 20 30 EHEDLO C=CCOC1CCC([N@@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173326293 1132048266 /nfs/dbraw/zinc/04/82/66/1132048266.db2.gz YCXKQXCQKDXSFY-DAWZGUTISA-N 1 2 342.474 3.696 20 30 EHEDLO C=CCOC1CCC(N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001173326293 1132048275 /nfs/dbraw/zinc/04/82/75/1132048275.db2.gz YCXKQXCQKDXSFY-DAWZGUTISA-N 1 2 342.474 3.696 20 30 EHEDLO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)c(Br)c1 ZINC001168793908 1132543317 /nfs/dbraw/zinc/54/33/17/1132543317.db2.gz VYXCTXOVLZXZRS-JTQLQIEISA-N 1 2 335.201 3.773 20 30 EHEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3cc(F)cc(C#N)c3)c2c1 ZINC001175682099 1132737600 /nfs/dbraw/zinc/73/76/00/1132737600.db2.gz DJRQZZBPSAGILL-UHFFFAOYSA-N 1 2 335.338 3.588 20 30 EHEDLO COc1ccc(C(NO)=[NH+]c2ccc(-n3c(C)ccc3C)cc2)nc1 ZINC001169601561 1132792943 /nfs/dbraw/zinc/79/29/43/1132792943.db2.gz ZFSJRTHKZJYCTQ-UHFFFAOYSA-N 1 2 336.395 3.555 20 30 EHEDLO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC001175991477 1132809443 /nfs/dbraw/zinc/80/94/43/1132809443.db2.gz FCEFMYWMLSCZIS-ZDUSSCGKSA-N 1 2 336.370 3.907 20 30 EHEDLO CC[C@H](CSC)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000773702800 1133094317 /nfs/dbraw/zinc/09/43/17/1133094317.db2.gz RKFXAVFERYWUQA-OLZOCXBDSA-N 1 2 347.509 3.546 20 30 EHEDLO CC[C@H](CSC)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000773702800 1133094322 /nfs/dbraw/zinc/09/43/22/1133094322.db2.gz RKFXAVFERYWUQA-OLZOCXBDSA-N 1 2 347.509 3.546 20 30 EHEDLO O=C1c2ccc(Br)cc2O/C1=C\c1cccc2[nH+]ccn21 ZINC000769611296 1133322047 /nfs/dbraw/zinc/32/20/47/1133322047.db2.gz XHGIMWUVBHOHTA-ZROIWOOFSA-N 1 2 341.164 3.713 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3\S/C(=N/C4CCCCC4)NC3=O)n2c1 ZINC000771851036 1133607421 /nfs/dbraw/zinc/60/74/21/1133607421.db2.gz OVKXTSNFUOJALB-DHDCSXOGSA-N 1 2 340.452 3.535 20 30 EHEDLO Cc1cc(C)cc(-n2ncc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)n2)c1 ZINC000785617479 1133732358 /nfs/dbraw/zinc/73/23/58/1133732358.db2.gz MRBGNPNOZSIQND-OAQYLSRUSA-N 1 2 343.434 3.533 20 30 EHEDLO C=C(C)C[N@@H+](C)Cc1c(F)ccc(I)c1F ZINC001182978093 1133757981 /nfs/dbraw/zinc/75/79/81/1133757981.db2.gz IHPLQSPXVCQJEL-UHFFFAOYSA-N 1 2 337.151 3.577 20 30 EHEDLO C=C(C)C[N@H+](C)Cc1c(F)ccc(I)c1F ZINC001182978093 1133757985 /nfs/dbraw/zinc/75/79/85/1133757985.db2.gz IHPLQSPXVCQJEL-UHFFFAOYSA-N 1 2 337.151 3.577 20 30 EHEDLO CNc1cc(CNc2ccc(C#N)c(Br)c2F)cc[nH+]1 ZINC001187686557 1134367301 /nfs/dbraw/zinc/36/73/01/1134367301.db2.gz QBINWLTZGMHIIA-UHFFFAOYSA-N 1 2 335.180 3.509 20 30 EHEDLO CC(C)N(C)c1ccc(C=[NH+][N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)cn1 ZINC000790154300 1134376672 /nfs/dbraw/zinc/37/66/72/1134376672.db2.gz SMPDWZCOFVNBJT-UHFFFAOYSA-N 1 2 344.369 3.527 20 30 EHEDLO Cn1cc[nH+]c1NN=C(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000790300721 1134398107 /nfs/dbraw/zinc/39/81/07/1134398107.db2.gz ZSKVZNVKPJBPJB-UHFFFAOYSA-N 1 2 325.803 3.527 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000775346059 1134656789 /nfs/dbraw/zinc/65/67/89/1134656789.db2.gz SYPCJRYQINRICK-JKSUJKDBSA-N 1 2 332.856 3.734 20 30 EHEDLO C#CC[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1 ZINC000775398756 1134724422 /nfs/dbraw/zinc/72/44/22/1134724422.db2.gz AZTZXLKJIFQMRA-INIZCTEOSA-N 1 2 337.810 3.843 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(C(F)(F)F)cn1 ZINC000792631965 1134746559 /nfs/dbraw/zinc/74/65/59/1134746559.db2.gz POHCUFBPLZBDPQ-UHFFFAOYSA-N 1 2 334.345 3.904 20 30 EHEDLO N#Cc1sc(N2CCC(CCCn3cc[nH+]c3)CC2)nc1Cl ZINC000804609560 1135137630 /nfs/dbraw/zinc/13/76/30/1135137630.db2.gz GQRVHYUEFZJNMY-UHFFFAOYSA-N 1 2 335.864 3.561 20 30 EHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2c(C#N)oc3ccccc32)c1 ZINC001194886624 1135330172 /nfs/dbraw/zinc/33/01/72/1135330172.db2.gz IQUGSUSHGPOBPB-UHFFFAOYSA-N 1 2 342.358 3.957 20 30 EHEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[C@@H](C(F)(F)F)O1 ZINC001197481654 1135694350 /nfs/dbraw/zinc/69/43/50/1135694350.db2.gz JDOIHOFVAJQJPY-DOMZBBRYSA-N 1 2 331.765 3.733 20 30 EHEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@@H](C(F)(F)F)O1 ZINC001197481654 1135694354 /nfs/dbraw/zinc/69/43/54/1135694354.db2.gz JDOIHOFVAJQJPY-DOMZBBRYSA-N 1 2 331.765 3.733 20 30 EHEDLO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001197609822 1135708170 /nfs/dbraw/zinc/70/81/70/1135708170.db2.gz BQPITIRUQJWIQT-ZDUSSCGKSA-N 1 2 336.370 3.907 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000005335392 1135956350 /nfs/dbraw/zinc/95/63/50/1135956350.db2.gz DYICRBRJMUROBL-DEDYPNTBSA-N 1 2 339.395 3.515 20 30 EHEDLO C=CCCCCCCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000811864035 1136148505 /nfs/dbraw/zinc/14/85/05/1136148505.db2.gz KKSJVQFXDCWRDU-UHFFFAOYSA-N 1 2 344.503 3.876 20 30 EHEDLO C=CCOCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000850531585 1136279739 /nfs/dbraw/zinc/27/97/39/1136279739.db2.gz MLSLIGWFDCTQIW-JTQLQIEISA-N 1 2 332.213 3.537 20 30 EHEDLO COc1ccc2c(C[N@H+](CCC#N)CC(C)(C)C)cc(=O)oc2c1 ZINC000109811723 1136347252 /nfs/dbraw/zinc/34/72/52/1136347252.db2.gz YSNXJHWPTFQEGE-UHFFFAOYSA-N 1 2 328.412 3.563 20 30 EHEDLO COc1ccc2c(C[N@@H+](CCC#N)CC(C)(C)C)cc(=O)oc2c1 ZINC000109811723 1136347255 /nfs/dbraw/zinc/34/72/55/1136347255.db2.gz YSNXJHWPTFQEGE-UHFFFAOYSA-N 1 2 328.412 3.563 20 30 EHEDLO Cc1c(O)ccc2c(C[N@H+](CCC#N)CC(C)(C)C)cc(=O)oc12 ZINC000109812535 1136347269 /nfs/dbraw/zinc/34/72/69/1136347269.db2.gz GPCUKATVUFHPKE-UHFFFAOYSA-N 1 2 328.412 3.569 20 30 EHEDLO Cc1c(O)ccc2c(C[N@@H+](CCC#N)CC(C)(C)C)cc(=O)oc12 ZINC000109812535 1136347272 /nfs/dbraw/zinc/34/72/72/1136347272.db2.gz GPCUKATVUFHPKE-UHFFFAOYSA-N 1 2 328.412 3.569 20 30 EHEDLO N#Cc1csc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)n1 ZINC000813783601 1136361866 /nfs/dbraw/zinc/36/18/66/1136361866.db2.gz XUTCLROPGQNZOC-MOPGFXCFSA-N 1 2 335.432 3.579 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000852471462 1136457946 /nfs/dbraw/zinc/45/79/46/1136457946.db2.gz QWEVDRYVGPIYNE-KRWDZBQOSA-N 1 2 344.503 3.836 20 30 EHEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852782149 1136486301 /nfs/dbraw/zinc/48/63/01/1136486301.db2.gz ZHMHYBWBIGEHIV-ZDUSSCGKSA-N 1 2 337.379 3.642 20 30 EHEDLO Cc1ccc(F)c(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853318957 1136525687 /nfs/dbraw/zinc/52/56/87/1136525687.db2.gz IXMJEBJNGMHGCL-UHFFFAOYSA-N 1 2 327.403 3.541 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1sc2nc(C)c(C)c(C)c2c1=O ZINC000853598199 1136547538 /nfs/dbraw/zinc/54/75/38/1136547538.db2.gz OFKUGMMIBHQHGV-GASCZTMLSA-N 1 2 329.469 3.524 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1sc2nc(C)c(C)c(C)c2c1=O ZINC000853598199 1136547540 /nfs/dbraw/zinc/54/75/40/1136547540.db2.gz OFKUGMMIBHQHGV-GASCZTMLSA-N 1 2 329.469 3.524 20 30 EHEDLO C=C(Br)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017282 1136932319 /nfs/dbraw/zinc/93/23/19/1136932319.db2.gz WZIVJZNPVAOELD-OAHLLOKOSA-N 1 2 337.261 3.711 20 30 EHEDLO C=C(Br)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017282 1136932322 /nfs/dbraw/zinc/93/23/22/1136932322.db2.gz WZIVJZNPVAOELD-OAHLLOKOSA-N 1 2 337.261 3.711 20 30 EHEDLO CCCCCCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000858110921 1136941005 /nfs/dbraw/zinc/94/10/05/1136941005.db2.gz MTBUHSKGJFSQCM-SFHVURJKSA-N 1 2 342.487 3.974 20 30 EHEDLO CCO[C@H](C)c1nc(CO[NH+]=C(N)c2ccc(F)c(C)c2)cs1 ZINC000120032044 1137225612 /nfs/dbraw/zinc/22/56/12/1137225612.db2.gz PQPRZONMEZJLIA-LLVKDONJSA-N 1 2 337.420 3.525 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3cccc(F)c3)C3CC3)o2)cc1 ZINC000173548092 1137234942 /nfs/dbraw/zinc/23/49/42/1137234942.db2.gz OKJKTRXIKQBKME-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3cccc(F)c3)C3CC3)o2)cc1 ZINC000173548092 1137234944 /nfs/dbraw/zinc/23/49/44/1137234944.db2.gz OKJKTRXIKQBKME-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO CC(C)Oc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794698184 1137236038 /nfs/dbraw/zinc/23/60/38/1137236038.db2.gz OGUYYIOTDWTGQB-KTKRTIGZSA-N 1 2 330.453 3.888 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001171198863 1137309988 /nfs/dbraw/zinc/30/99/88/1137309988.db2.gz RSMOWWQZCSKWAN-RHSMWYFYSA-N 1 2 330.472 3.835 20 30 EHEDLO N#Cc1ccc(C2CC[NH+](Cc3c(F)cc(O)cc3F)CC2)cc1 ZINC001144562007 1137310248 /nfs/dbraw/zinc/31/02/48/1137310248.db2.gz UUGBNUZVEZACBX-UHFFFAOYSA-N 1 2 328.362 3.922 20 30 EHEDLO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cccc(C#N)c1O ZINC000866311256 1137344507 /nfs/dbraw/zinc/34/45/07/1137344507.db2.gz YUEFIPFBQKWRNO-DNVCBOLYSA-N 1 2 338.451 3.717 20 30 EHEDLO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cccc(C#N)c1O ZINC000866352704 1137348443 /nfs/dbraw/zinc/34/84/43/1137348443.db2.gz RURFTZBXJMSNRB-IAGOWNOFSA-N 1 2 335.451 3.831 20 30 EHEDLO C=CCCn1cc(C[N@@H+](CC)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000846784706 1137365576 /nfs/dbraw/zinc/36/55/76/1137365576.db2.gz SPEJYBABHDDBLW-UHFFFAOYSA-N 1 2 338.377 3.895 20 30 EHEDLO C=CCCn1cc(C[N@H+](CC)Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000846784706 1137365578 /nfs/dbraw/zinc/36/55/78/1137365578.db2.gz SPEJYBABHDDBLW-UHFFFAOYSA-N 1 2 338.377 3.895 20 30 EHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cscn2)ccc1OC ZINC000772987150 1137419443 /nfs/dbraw/zinc/41/94/43/1137419443.db2.gz TUUQMBRWUWJQPZ-OCCSQVGLSA-N 1 2 331.441 3.683 20 30 EHEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](CC)CO1 ZINC001171778175 1137510230 /nfs/dbraw/zinc/51/02/30/1137510230.db2.gz JUTQBSGHMVQPKN-IAGOWNOFSA-N 1 2 325.374 3.946 20 30 EHEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](CC)CO1 ZINC001171778175 1137510232 /nfs/dbraw/zinc/51/02/32/1137510232.db2.gz JUTQBSGHMVQPKN-IAGOWNOFSA-N 1 2 325.374 3.946 20 30 EHEDLO C#CCCOc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1 ZINC000873174147 1137592458 /nfs/dbraw/zinc/59/24/58/1137592458.db2.gz BHXOIUIBJNMULK-UHFFFAOYSA-N 1 2 338.451 3.881 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1 ZINC000873175018 1137592465 /nfs/dbraw/zinc/59/24/65/1137592465.db2.gz DFZPVUAIVQPNHE-AWEZNQCLSA-N 1 2 339.439 3.770 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC#N)CC1 ZINC000878397227 1137714209 /nfs/dbraw/zinc/71/42/09/1137714209.db2.gz SDLKOHMEJNYHKK-OAHLLOKOSA-N 1 2 340.345 3.545 20 30 EHEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000880061968 1137766867 /nfs/dbraw/zinc/76/68/67/1137766867.db2.gz FOVOACLQOTXYDC-IINYFYTJSA-N 1 2 332.753 3.753 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000880061968 1137766868 /nfs/dbraw/zinc/76/68/68/1137766868.db2.gz FOVOACLQOTXYDC-IINYFYTJSA-N 1 2 332.753 3.753 20 30 EHEDLO C[C@@H](c1cccnc1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332668 1137972931 /nfs/dbraw/zinc/97/29/31/1137972931.db2.gz VHBSMMPPMLUANH-KXBFYZLASA-N 1 2 340.858 3.678 20 30 EHEDLO Cc1cccnc1[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000072637683 1138106594 /nfs/dbraw/zinc/10/65/94/1138106594.db2.gz ZZBGUIWOJLUOQI-GOSISDBHSA-N 1 2 347.422 3.799 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cnccc2Cl)C1 ZINC001137237716 1138219621 /nfs/dbraw/zinc/21/96/21/1138219621.db2.gz GWERGIJMBIXLMA-INIZCTEOSA-N 1 2 327.815 3.650 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cnccc2Cl)C1 ZINC001137237716 1138219625 /nfs/dbraw/zinc/21/96/25/1138219625.db2.gz GWERGIJMBIXLMA-INIZCTEOSA-N 1 2 327.815 3.650 20 30 EHEDLO CC(C)(C#N)c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000337144358 1138478734 /nfs/dbraw/zinc/47/87/34/1138478734.db2.gz ZXDJGXUTAOHCID-UHFFFAOYSA-N 1 2 344.418 3.985 20 30 EHEDLO COc1ccc(-c2noc([C@@H](C)[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000153410429 1139135479 /nfs/dbraw/zinc/13/54/79/1139135479.db2.gz HUPDELUUDVBGRX-CQSZACIVSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1ccc(-c2noc([C@@H](C)[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000153410429 1139135480 /nfs/dbraw/zinc/13/54/80/1139135480.db2.gz HUPDELUUDVBGRX-CQSZACIVSA-N 1 2 348.406 3.810 20 30 EHEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cs1 ZINC000184719394 1140116971 /nfs/dbraw/zinc/11/69/71/1140116971.db2.gz PEYKAGDHURRFOS-JTQLQIEISA-N 1 2 348.859 3.520 20 30 EHEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191296528 1140452697 /nfs/dbraw/zinc/45/26/97/1140452697.db2.gz BLKPMBVMLUGOFA-LJQANCHMSA-N 1 2 333.439 3.603 20 30 EHEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191296528 1140452700 /nfs/dbraw/zinc/45/27/00/1140452700.db2.gz BLKPMBVMLUGOFA-LJQANCHMSA-N 1 2 333.439 3.603 20 30 EHEDLO C=CCCO[C@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270420218 1141221073 /nfs/dbraw/zinc/22/10/73/1141221073.db2.gz FZGYIHGVQNVWSL-OAHLLOKOSA-N 1 2 337.423 3.522 20 30 EHEDLO CCc1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000348872248 1141600928 /nfs/dbraw/zinc/60/09/28/1141600928.db2.gz BZRDUGUCJZZTNR-UHFFFAOYSA-N 1 2 345.443 3.760 20 30 EHEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000430141783 1014312052 /nfs/dbraw/zinc/31/20/52/1014312052.db2.gz YTPRQLPBWPVIAP-LBPRGKRZSA-N 1 2 333.794 3.654 20 30 EHEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000430141783 1014312069 /nfs/dbraw/zinc/31/20/69/1014312069.db2.gz YTPRQLPBWPVIAP-LBPRGKRZSA-N 1 2 333.794 3.654 20 30 EHEDLO C=C[C@H](CC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000119002660 1014702146 /nfs/dbraw/zinc/70/21/46/1014702146.db2.gz NRECMQBGTVHFTA-QGZVFWFLSA-N 1 2 333.435 3.661 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1CC)Cc1cccc(C#N)c1 ZINC000063300850 1015559443 /nfs/dbraw/zinc/55/94/43/1015559443.db2.gz FBDOZQLSWFSIST-UHFFFAOYSA-N 1 2 333.435 3.747 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1CC)Cc1cccc(C#N)c1 ZINC000063300850 1015559452 /nfs/dbraw/zinc/55/94/52/1015559452.db2.gz FBDOZQLSWFSIST-UHFFFAOYSA-N 1 2 333.435 3.747 20 30 EHEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000459471455 1032184779 /nfs/dbraw/zinc/18/47/79/1032184779.db2.gz VPOAWXNBGHTUQC-SKDRFNHKSA-N 1 2 345.752 3.579 20 30 EHEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000459471429 1032184804 /nfs/dbraw/zinc/18/48/04/1032184804.db2.gz VPOAWXNBGHTUQC-BXKDBHETSA-N 1 2 345.752 3.579 20 30 EHEDLO C=CCC(CC=C)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000537171181 1032547509 /nfs/dbraw/zinc/54/75/09/1032547509.db2.gz SLNKWGWRAIYQPU-MRXNPFEDSA-N 1 2 330.447 3.799 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000537177305 1032549086 /nfs/dbraw/zinc/54/90/86/1032549086.db2.gz YGHHPYVDIVZXIG-PEBVRCNWSA-N 1 2 339.842 3.573 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000602004619 1032588891 /nfs/dbraw/zinc/58/88/91/1032588891.db2.gz GVALGDBZVXYDFM-OALUTQOASA-N 1 2 328.362 3.846 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000255072215 1017350349 /nfs/dbraw/zinc/35/03/49/1017350349.db2.gz AUPMRRRLMMWDQR-UYRXBGFRSA-N 1 2 331.416 3.516 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000614407648 1018996356 /nfs/dbraw/zinc/99/63/56/1018996356.db2.gz VIUOHCPIHVFNIR-UHFFFAOYSA-N 1 2 328.419 3.611 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000614407648 1018996366 /nfs/dbraw/zinc/99/63/66/1018996366.db2.gz VIUOHCPIHVFNIR-UHFFFAOYSA-N 1 2 328.419 3.611 20 30 EHEDLO N#Cc1ccc(C2CC[NH+](Cc3cc(C(F)(F)F)n[nH]3)CC2)cc1 ZINC000897588871 1032859746 /nfs/dbraw/zinc/85/97/46/1032859746.db2.gz OUBAJDADBCGPHO-UHFFFAOYSA-N 1 2 334.345 3.680 20 30 EHEDLO COc1ccc(OC)c(C[N@H+](Cc2cccc(C#N)c2F)C2CC2)c1 ZINC000340763699 1019955386 /nfs/dbraw/zinc/95/53/86/1019955386.db2.gz OWCKJEQCBIZUBY-UHFFFAOYSA-N 1 2 340.398 3.879 20 30 EHEDLO COc1ccc(OC)c(C[N@@H+](Cc2cccc(C#N)c2F)C2CC2)c1 ZINC000340763699 1019955396 /nfs/dbraw/zinc/95/53/96/1019955396.db2.gz OWCKJEQCBIZUBY-UHFFFAOYSA-N 1 2 340.398 3.879 20 30 EHEDLO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2ccccn21 ZINC000439437601 1021437081 /nfs/dbraw/zinc/43/70/81/1021437081.db2.gz KAWBXZYEIXNYSJ-INIZCTEOSA-N 1 2 339.830 3.885 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cncn1C(C)C)c1ccc(Br)cc1 ZINC000894871827 1021544343 /nfs/dbraw/zinc/54/43/43/1021544343.db2.gz XEQNBSQPTWJMKW-MRXNPFEDSA-N 1 2 332.245 3.691 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC(C#N)CC1 ZINC000602580808 1033000493 /nfs/dbraw/zinc/00/04/93/1033000493.db2.gz HNQXTDCNTLVFJQ-DAWZGUTISA-N 1 2 328.456 3.611 20 30 EHEDLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1CC1(C#N)CC1 ZINC000581749734 1021677810 /nfs/dbraw/zinc/67/78/10/1021677810.db2.gz FDJJHYGUEFMYLF-OKILXGFUSA-N 1 2 337.389 3.908 20 30 EHEDLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1CC1(C#N)CC1 ZINC000581749734 1021677816 /nfs/dbraw/zinc/67/78/16/1021677816.db2.gz FDJJHYGUEFMYLF-OKILXGFUSA-N 1 2 337.389 3.908 20 30 EHEDLO Fc1ccc(C#CC[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000440662923 1021692090 /nfs/dbraw/zinc/69/20/90/1021692090.db2.gz MKFAIYCJVOVXKK-UHFFFAOYSA-N 1 2 345.421 3.548 20 30 EHEDLO CC(=O)N(c1nc(C[NH2+]CCCC#N)cs1)c1ccc(C)c(C)c1 ZINC000602604914 1033021678 /nfs/dbraw/zinc/02/16/78/1033021678.db2.gz QZUFBHKKATYXIU-UHFFFAOYSA-N 1 2 342.468 3.838 20 30 EHEDLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897632270 1033028468 /nfs/dbraw/zinc/02/84/68/1033028468.db2.gz ISTPJGMKOANBEB-CYBMUJFWSA-N 1 2 346.475 3.926 20 30 EHEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(Cl)cc1Br ZINC000161976522 1033033310 /nfs/dbraw/zinc/03/33/10/1033033310.db2.gz CAIPNBCESGETFC-JTQLQIEISA-N 1 2 331.641 3.715 20 30 EHEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(Cl)cc1Br ZINC000161976522 1033033323 /nfs/dbraw/zinc/03/33/23/1033033323.db2.gz CAIPNBCESGETFC-JTQLQIEISA-N 1 2 331.641 3.715 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000172936610 1033034036 /nfs/dbraw/zinc/03/40/36/1033034036.db2.gz WDDUXBBVVYLVSR-CRAIPNDOSA-N 1 2 342.512 3.992 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000172936610 1033034041 /nfs/dbraw/zinc/03/40/41/1033034041.db2.gz WDDUXBBVVYLVSR-CRAIPNDOSA-N 1 2 342.512 3.992 20 30 EHEDLO CCOc1cccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000341582433 1022390053 /nfs/dbraw/zinc/39/00/53/1022390053.db2.gz CCKJULJUNZUERN-AWEZNQCLSA-N 1 2 348.406 3.858 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000303738372 1022522934 /nfs/dbraw/zinc/52/29/34/1022522934.db2.gz YDZFXVPJAQHTEL-KGLIPLIRSA-N 1 2 336.526 3.729 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000303738372 1022522945 /nfs/dbraw/zinc/52/29/45/1022522945.db2.gz YDZFXVPJAQHTEL-KGLIPLIRSA-N 1 2 336.526 3.729 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000187641756 1022810690 /nfs/dbraw/zinc/81/06/90/1022810690.db2.gz VCDAADHQTZNIEL-COXVUDFISA-N 1 2 330.428 3.626 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)o1 ZINC000187641756 1022810707 /nfs/dbraw/zinc/81/07/07/1022810707.db2.gz VCDAADHQTZNIEL-COXVUDFISA-N 1 2 330.428 3.626 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)cc(OC)c1OC ZINC000894747789 1022831747 /nfs/dbraw/zinc/83/17/47/1022831747.db2.gz NXEQPIVEXCKNRU-UHFFFAOYSA-N 1 2 345.439 3.676 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)cc(OC)c1OC ZINC000894747789 1022831766 /nfs/dbraw/zinc/83/17/66/1022831766.db2.gz NXEQPIVEXCKNRU-UHFFFAOYSA-N 1 2 345.439 3.676 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC000610604317 1022983702 /nfs/dbraw/zinc/98/37/02/1022983702.db2.gz PEUJAZGAEJWOBL-GUDVDZBRSA-N 1 2 334.419 3.598 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC000610604317 1022983714 /nfs/dbraw/zinc/98/37/14/1022983714.db2.gz PEUJAZGAEJWOBL-GUDVDZBRSA-N 1 2 334.419 3.598 20 30 EHEDLO C=CCCC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000369591208 1023020666 /nfs/dbraw/zinc/02/06/66/1023020666.db2.gz JLSGVFQFEVHQDJ-UHFFFAOYSA-N 1 2 344.503 3.692 20 30 EHEDLO C[C@H](C#N)CN(C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439053588 1023245283 /nfs/dbraw/zinc/24/52/83/1023245283.db2.gz HTPFJXHCCHLYCS-CQSZACIVSA-N 1 2 337.427 3.510 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H]3CCC[C@H]32)c1C#N ZINC000610762809 1023472688 /nfs/dbraw/zinc/47/26/88/1023472688.db2.gz ZABZNKOCHFSHGB-CRAIPNDOSA-N 1 2 340.471 3.515 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H]3CCC[C@H]32)c1C#N ZINC000610762809 1023472695 /nfs/dbraw/zinc/47/26/95/1023472695.db2.gz ZABZNKOCHFSHGB-CRAIPNDOSA-N 1 2 340.471 3.515 20 30 EHEDLO C=CCn1c(=S)n(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nc1-c1ccco1 ZINC000176192169 1023858214 /nfs/dbraw/zinc/85/82/14/1023858214.db2.gz WEZUQWVFSFHHAG-GJZGRUSLSA-N 1 2 344.484 3.940 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CC)C1CCCCC1)Cc1cccc(C#N)c1 ZINC000063300463 1033181947 /nfs/dbraw/zinc/18/19/47/1033181947.db2.gz HIIYZIWNXQAYPQ-UHFFFAOYSA-N 1 2 339.483 3.727 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CC)C1CCCCC1)Cc1cccc(C#N)c1 ZINC000063300463 1033181952 /nfs/dbraw/zinc/18/19/52/1033181952.db2.gz HIIYZIWNXQAYPQ-UHFFFAOYSA-N 1 2 339.483 3.727 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000342148144 1024241618 /nfs/dbraw/zinc/24/16/18/1024241618.db2.gz ZCXRZKVWIGVHKF-UHFFFAOYSA-N 1 2 329.465 3.668 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000342148144 1024241631 /nfs/dbraw/zinc/24/16/31/1024241631.db2.gz ZCXRZKVWIGVHKF-UHFFFAOYSA-N 1 2 329.465 3.668 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097224 1024316786 /nfs/dbraw/zinc/31/67/86/1024316786.db2.gz ANAKIJJKQVMFEN-ZWOKBUDYSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097224 1024316798 /nfs/dbraw/zinc/31/67/98/1024316798.db2.gz ANAKIJJKQVMFEN-ZWOKBUDYSA-N 1 2 346.471 3.550 20 30 EHEDLO CC(=[NH+]Nc1ccc(Br)cc1C)c1csc(N)n1 ZINC000728433205 1024331402 /nfs/dbraw/zinc/33/14/02/1024331402.db2.gz XNOPLTIOEAWTGN-UHFFFAOYSA-N 1 2 325.235 3.632 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CCC1CCCC1 ZINC000330178649 1024342814 /nfs/dbraw/zinc/34/28/14/1024342814.db2.gz DWAOPXJPQKLTLL-IAGOWNOFSA-N 1 2 330.476 3.547 20 30 EHEDLO N#CC1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000330239255 1024367693 /nfs/dbraw/zinc/36/76/93/1024367693.db2.gz BALUSSINVVXJGY-UHFFFAOYSA-N 1 2 349.438 3.667 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895352516 1024367819 /nfs/dbraw/zinc/36/78/19/1024367819.db2.gz NTNAZCFVHGCPHR-UHFFFAOYSA-N 1 2 343.434 3.891 20 30 EHEDLO CC[N@H+](Cc1ccccn1)Cc1cc(Br)ccc1C#N ZINC001141902847 1025700574 /nfs/dbraw/zinc/70/05/74/1025700574.db2.gz GQXJGKIKRNNUID-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC[N@@H+](Cc1ccccn1)Cc1cc(Br)ccc1C#N ZINC001141902847 1025700589 /nfs/dbraw/zinc/70/05/89/1025700589.db2.gz GQXJGKIKRNNUID-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)c(C#N)c1C ZINC000026483582 1025783753 /nfs/dbraw/zinc/78/37/53/1025783753.db2.gz TUFVTICLJDJEHA-SWLSCSKDSA-N 1 2 343.452 3.994 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cccs2)c(C#N)c1C ZINC000026483582 1025783768 /nfs/dbraw/zinc/78/37/68/1025783768.db2.gz TUFVTICLJDJEHA-SWLSCSKDSA-N 1 2 343.452 3.994 20 30 EHEDLO CC1(C)CCCc2sc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)nc21 ZINC000329598719 1026049118 /nfs/dbraw/zinc/04/91/18/1026049118.db2.gz JMVCWJLGIVZMTP-LLVKDONJSA-N 1 2 330.457 3.804 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000665587677 1026145716 /nfs/dbraw/zinc/14/57/16/1026145716.db2.gz ZMTALDDEKSCBME-INIZCTEOSA-N 1 2 330.476 3.825 20 30 EHEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000934471939 1026287051 /nfs/dbraw/zinc/28/70/51/1026287051.db2.gz WUHBWUYARBKNOI-SNVBAGLBSA-N 1 2 340.246 3.711 20 30 EHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000934471939 1026287063 /nfs/dbraw/zinc/28/70/63/1026287063.db2.gz WUHBWUYARBKNOI-SNVBAGLBSA-N 1 2 340.246 3.711 20 30 EHEDLO N#CCc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000342764802 1026982631 /nfs/dbraw/zinc/98/26/31/1026982631.db2.gz JRRUHDNLWIMFOD-UHFFFAOYSA-N 1 2 337.442 3.600 20 30 EHEDLO N#CCc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000342764802 1026982638 /nfs/dbraw/zinc/98/26/38/1026982638.db2.gz JRRUHDNLWIMFOD-UHFFFAOYSA-N 1 2 337.442 3.600 20 30 EHEDLO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000501257117 1027159691 /nfs/dbraw/zinc/15/96/91/1027159691.db2.gz NJAMRFGWRWPDTG-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000501257117 1027159697 /nfs/dbraw/zinc/15/96/97/1027159697.db2.gz NJAMRFGWRWPDTG-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO COc1cccc([C@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459283713 1027263155 /nfs/dbraw/zinc/26/31/55/1027263155.db2.gz RSCWAZQVKCKBIK-GOSISDBHSA-N 1 2 337.379 3.812 20 30 EHEDLO COc1cccc([C@H]2CCC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459283713 1027263167 /nfs/dbraw/zinc/26/31/67/1027263167.db2.gz RSCWAZQVKCKBIK-GOSISDBHSA-N 1 2 337.379 3.812 20 30 EHEDLO Cc1cc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(C)[nH+]1 ZINC000420844399 1027787103 /nfs/dbraw/zinc/78/71/03/1027787103.db2.gz GTJZJLWMYSXRNT-WOJBJXKFSA-N 1 2 348.450 3.680 20 30 EHEDLO CSC[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347044234 1027789380 /nfs/dbraw/zinc/78/93/80/1027789380.db2.gz FAAARNMMAKOVRK-CQSZACIVSA-N 1 2 325.275 3.648 20 30 EHEDLO CSC[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347044234 1027789398 /nfs/dbraw/zinc/78/93/98/1027789398.db2.gz FAAARNMMAKOVRK-CQSZACIVSA-N 1 2 325.275 3.648 20 30 EHEDLO Cc1cc(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc(C)[nH+]1 ZINC000421070711 1028053177 /nfs/dbraw/zinc/05/31/77/1028053177.db2.gz RGZIVUCMUJPRFO-UHFFFAOYSA-N 1 2 338.411 3.679 20 30 EHEDLO C=CC(C)(C)CNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000455362605 1028096235 /nfs/dbraw/zinc/09/62/35/1028096235.db2.gz GFVFPJLUZDKERM-UHFFFAOYSA-N 1 2 344.503 3.542 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1F ZINC000508528785 1028777375 /nfs/dbraw/zinc/77/73/75/1028777375.db2.gz PGGMOGWWZRHRDO-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1F ZINC000508528785 1028777388 /nfs/dbraw/zinc/77/73/88/1028777388.db2.gz PGGMOGWWZRHRDO-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)c(F)c2)c(C)c1 ZINC000191962445 1029260156 /nfs/dbraw/zinc/26/01/56/1029260156.db2.gz UGZOPBYHCTZQIE-UHFFFAOYSA-N 1 2 339.414 3.693 20 30 EHEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)c(F)c2)c(C)c1 ZINC000191962445 1029260169 /nfs/dbraw/zinc/26/01/69/1029260169.db2.gz UGZOPBYHCTZQIE-UHFFFAOYSA-N 1 2 339.414 3.693 20 30 EHEDLO CCOc1cc(C[N@H+](C)C[C@H](C#N)CCC#N)ccc1OC(F)F ZINC000078542220 1029358715 /nfs/dbraw/zinc/35/87/15/1029358715.db2.gz BUBGFFWMXLDKBO-AWEZNQCLSA-N 1 2 337.370 3.562 20 30 EHEDLO CCOc1cc(C[N@@H+](C)C[C@H](C#N)CCC#N)ccc1OC(F)F ZINC000078542220 1029358730 /nfs/dbraw/zinc/35/87/30/1029358730.db2.gz BUBGFFWMXLDKBO-AWEZNQCLSA-N 1 2 337.370 3.562 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272609360 1029531657 /nfs/dbraw/zinc/53/16/57/1029531657.db2.gz SBLPNWKXYWALPY-GFCCVEGCSA-N 1 2 339.361 3.658 20 30 EHEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(C#N)ccc1C(F)(F)F ZINC000428693339 1029937372 /nfs/dbraw/zinc/93/73/72/1029937372.db2.gz QGQFXFQACYREDX-UHFFFAOYSA-N 1 2 334.345 3.746 20 30 EHEDLO COc1cc(Cl)ccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798945 1030125477 /nfs/dbraw/zinc/12/54/77/1030125477.db2.gz UPWUOSSUGXJIFJ-UHFFFAOYSA-N 1 2 341.842 3.801 20 30 EHEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)s3)n2)cc1F ZINC000483655119 1031274868 /nfs/dbraw/zinc/27/48/68/1031274868.db2.gz NLLRVMRDCUVHTE-NSHDSACASA-N 1 2 342.399 3.968 20 30 EHEDLO C=CCC(C)(C)c1noc([C@H]([NH3+])c2ccccc2C(F)(F)F)n1 ZINC000904121172 1031756890 /nfs/dbraw/zinc/75/68/90/1031756890.db2.gz LBWQVKYMZNAJNA-GFCCVEGCSA-N 1 2 325.334 3.990 20 30 EHEDLO C[C@@H](C#N)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227827602 1034288321 /nfs/dbraw/zinc/28/83/21/1034288321.db2.gz IXIHQQPPJRJRON-LURJTMIESA-N 1 2 338.068 3.522 20 30 EHEDLO C=CCC1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCC1 ZINC000456503607 1034483302 /nfs/dbraw/zinc/48/33/02/1034483302.db2.gz ITRHPPJMBKSULG-UHFFFAOYSA-N 1 2 337.467 3.727 20 30 EHEDLO Cn1c(C[N@@H+]2CCC[C@@H](CC#N)C2)nc2cc(C(F)(F)F)ccc21 ZINC000597176524 1034581007 /nfs/dbraw/zinc/58/10/07/1034581007.db2.gz IINGXMPBZMCDEQ-LBPRGKRZSA-N 1 2 336.361 3.718 20 30 EHEDLO Cn1c(C[N@H+]2CCC[C@@H](CC#N)C2)nc2cc(C(F)(F)F)ccc21 ZINC000597176524 1034581014 /nfs/dbraw/zinc/58/10/14/1034581014.db2.gz IINGXMPBZMCDEQ-LBPRGKRZSA-N 1 2 336.361 3.718 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1C#N ZINC000534487393 1034592154 /nfs/dbraw/zinc/59/21/54/1034592154.db2.gz QZNJSRLUJMSYHO-IBGZPJMESA-N 1 2 338.382 3.821 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1C#N ZINC000534487393 1034592161 /nfs/dbraw/zinc/59/21/61/1034592161.db2.gz QZNJSRLUJMSYHO-IBGZPJMESA-N 1 2 338.382 3.821 20 30 EHEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000597256947 1034630479 /nfs/dbraw/zinc/63/04/79/1034630479.db2.gz BIFJOIFBMUAFBI-MDYRTPRTSA-N 1 2 336.439 3.520 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406491 1034888253 /nfs/dbraw/zinc/88/82/53/1034888253.db2.gz NODBOLZVRYYGNX-IBGZPJMESA-N 1 2 344.409 3.893 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406491 1034888260 /nfs/dbraw/zinc/88/82/60/1034888260.db2.gz NODBOLZVRYYGNX-IBGZPJMESA-N 1 2 344.409 3.893 20 30 EHEDLO C[C@]1(C#N)CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000612406452 1034888844 /nfs/dbraw/zinc/88/88/44/1034888844.db2.gz MNGGINYIGYBJKN-HXUWFJFHSA-N 1 2 333.439 3.589 20 30 EHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000612406452 1034888850 /nfs/dbraw/zinc/88/88/50/1034888850.db2.gz MNGGINYIGYBJKN-HXUWFJFHSA-N 1 2 333.439 3.589 20 30 EHEDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccc(C#N)cc2)c1O ZINC000177251596 1034890511 /nfs/dbraw/zinc/89/05/11/1034890511.db2.gz CRJNTMMPKUHEAR-UHFFFAOYSA-N 1 2 328.799 3.752 20 30 EHEDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1O ZINC000177251596 1034890526 /nfs/dbraw/zinc/89/05/26/1034890526.db2.gz CRJNTMMPKUHEAR-UHFFFAOYSA-N 1 2 328.799 3.752 20 30 EHEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC000587986896 1035662296 /nfs/dbraw/zinc/66/22/96/1035662296.db2.gz VYCBCODAFKULPN-ZDUSSCGKSA-N 1 2 346.887 3.860 20 30 EHEDLO Cc1oc(NC(=O)C[NH+]2CCC(C)(CC(C)C)CC2)c(C#N)c1C ZINC000588977971 1036207431 /nfs/dbraw/zinc/20/74/31/1036207431.db2.gz WQKVAWJRUQHQRW-UHFFFAOYSA-N 1 2 331.460 3.855 20 30 EHEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000541577772 1036473821 /nfs/dbraw/zinc/47/38/21/1036473821.db2.gz YOIRCUMGYTYMPG-YVMONPNESA-N 1 2 345.446 3.596 20 30 EHEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000464496896 1036524126 /nfs/dbraw/zinc/52/41/26/1036524126.db2.gz IXJWRIKSCWIVJR-MRXNPFEDSA-N 1 2 333.859 3.745 20 30 EHEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000464496896 1036524136 /nfs/dbraw/zinc/52/41/36/1036524136.db2.gz IXJWRIKSCWIVJR-MRXNPFEDSA-N 1 2 333.859 3.745 20 30 EHEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000122194410 1036644685 /nfs/dbraw/zinc/64/46/85/1036644685.db2.gz FFHNELAWJRYBKL-ZDUSSCGKSA-N 1 2 342.468 3.517 20 30 EHEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000122194410 1036644689 /nfs/dbraw/zinc/64/46/89/1036644689.db2.gz FFHNELAWJRYBKL-ZDUSSCGKSA-N 1 2 342.468 3.517 20 30 EHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(F)cc1OC(F)F ZINC000180314976 1036652312 /nfs/dbraw/zinc/65/23/12/1036652312.db2.gz GDENPNNPQXVNIF-FNORWQNLSA-N 1 2 332.281 3.971 20 30 EHEDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccn1 ZINC000089797261 1036661860 /nfs/dbraw/zinc/66/18/60/1036661860.db2.gz JCBVNAGJIRXEHE-OAQYLSRUSA-N 1 2 329.403 3.841 20 30 EHEDLO Cc1sc2[nH]c([C@H](C)[NH+]3CCC(CC#N)CC3)nc(=O)c2c1C ZINC000541953908 1036887797 /nfs/dbraw/zinc/88/77/97/1036887797.db2.gz WJVVBGBUFMTWMG-NSHDSACASA-N 1 2 330.457 3.700 20 30 EHEDLO N#Cc1cc(F)ccc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541955436 1036892350 /nfs/dbraw/zinc/89/23/50/1036892350.db2.gz WVZJURRBCWFDIV-MRXNPFEDSA-N 1 2 338.304 3.539 20 30 EHEDLO C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)CCCn3cc[nH+]c3)sc21 ZINC000590999746 1037182160 /nfs/dbraw/zinc/18/21/60/1037182160.db2.gz BZEWRWUTJJRHFQ-QWHCGFSZSA-N 1 2 342.468 3.921 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000532556513 1037625513 /nfs/dbraw/zinc/62/55/13/1037625513.db2.gz LSPWCGAPLSJOBO-LBPRGKRZSA-N 1 2 327.255 3.823 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnc(-c2ccccc2OC)nc1)c1ccc(F)cc1 ZINC000491709704 1037632166 /nfs/dbraw/zinc/63/21/66/1037632166.db2.gz WWDFXTPYCNOWRJ-LJQANCHMSA-N 1 2 347.393 3.755 20 30 EHEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000592060365 1037805380 /nfs/dbraw/zinc/80/53/80/1037805380.db2.gz KVGSULVJWAGHMW-HNNXBMFYSA-N 1 2 329.806 3.953 20 30 EHEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000592060365 1037805395 /nfs/dbraw/zinc/80/53/95/1037805395.db2.gz KVGSULVJWAGHMW-HNNXBMFYSA-N 1 2 329.806 3.953 20 30 EHEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000015296476 1039087515 /nfs/dbraw/zinc/08/75/15/1039087515.db2.gz ROIWWJFGDBEHEM-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000015296476 1039087533 /nfs/dbraw/zinc/08/75/33/1039087533.db2.gz ROIWWJFGDBEHEM-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO N#CCCCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816388 1040185282 /nfs/dbraw/zinc/18/52/82/1040185282.db2.gz TXPGWRVKXVRVHU-MRXNPFEDSA-N 1 2 342.487 3.905 20 30 EHEDLO N#CCCCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816388 1040185293 /nfs/dbraw/zinc/18/52/93/1040185293.db2.gz TXPGWRVKXVRVHU-MRXNPFEDSA-N 1 2 342.487 3.905 20 30 EHEDLO Nc1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)c(F)c2)c[nH+]1 ZINC000899342234 1040340988 /nfs/dbraw/zinc/34/09/88/1040340988.db2.gz SKSVLDKKSLDTGH-XBXARRHUSA-N 1 2 325.387 3.689 20 30 EHEDLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(CCC#N)CC2)c(Cl)c1 ZINC000563067591 1040432097 /nfs/dbraw/zinc/43/20/97/1040432097.db2.gz HQPGNRHIVCYMHK-UHFFFAOYSA-N 1 2 333.863 3.911 20 30 EHEDLO Cn1cc(Br)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433018777 1040464155 /nfs/dbraw/zinc/46/41/55/1040464155.db2.gz GEMKZFNFAXOQAZ-HNNXBMFYSA-N 1 2 347.260 3.707 20 30 EHEDLO COc1cc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)ccc1C#N ZINC000555364959 1040483240 /nfs/dbraw/zinc/48/32/40/1040483240.db2.gz CTXYDSDMRNWTQZ-LJQANCHMSA-N 1 2 328.362 3.777 20 30 EHEDLO COc1cc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)ccc1C#N ZINC000555364959 1040483248 /nfs/dbraw/zinc/48/32/48/1040483248.db2.gz CTXYDSDMRNWTQZ-LJQANCHMSA-N 1 2 328.362 3.777 20 30 EHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000555527828 1040765739 /nfs/dbraw/zinc/76/57/39/1040765739.db2.gz SPBLICPYASUYDO-IVMMDQJWSA-N 1 2 340.345 3.651 20 30 EHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000555527828 1040765756 /nfs/dbraw/zinc/76/57/56/1040765756.db2.gz SPBLICPYASUYDO-IVMMDQJWSA-N 1 2 340.345 3.651 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@H](CC)CC#N)o2)cc1 ZINC000614248753 1040834773 /nfs/dbraw/zinc/83/47/73/1040834773.db2.gz YALYJQJBGFOOCX-MRXNPFEDSA-N 1 2 326.396 3.905 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000433188563 1041045607 /nfs/dbraw/zinc/04/56/07/1041045607.db2.gz MFMLIPYHXLOAJW-ZDUSSCGKSA-N 1 2 347.411 3.599 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000433188563 1041045615 /nfs/dbraw/zinc/04/56/15/1041045615.db2.gz MFMLIPYHXLOAJW-ZDUSSCGKSA-N 1 2 347.411 3.599 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419320596 1041310843 /nfs/dbraw/zinc/31/08/43/1041310843.db2.gz XUKOSXWUNQPHGQ-QGZVFWFLSA-N 1 2 337.379 3.510 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419320596 1041310853 /nfs/dbraw/zinc/31/08/53/1041310853.db2.gz XUKOSXWUNQPHGQ-QGZVFWFLSA-N 1 2 337.379 3.510 20 30 EHEDLO C#Cc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278839944 1041692282 /nfs/dbraw/zinc/69/22/82/1041692282.db2.gz KVWGKBSNJVLFEA-UHFFFAOYSA-N 1 2 348.450 3.612 20 30 EHEDLO CCn1c2ccccc2nc1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000124422609 1041705109 /nfs/dbraw/zinc/70/51/09/1041705109.db2.gz CUPZTMOWGOHTJU-UHFFFAOYSA-N 1 2 348.450 3.576 20 30 EHEDLO CCn1c2ccccc2nc1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000124422609 1041705112 /nfs/dbraw/zinc/70/51/12/1041705112.db2.gz CUPZTMOWGOHTJU-UHFFFAOYSA-N 1 2 348.450 3.576 20 30 EHEDLO Cc1cc(C)n2c(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cnc2n1 ZINC000093872316 1042566217 /nfs/dbraw/zinc/56/62/17/1042566217.db2.gz PMBUYIIIMNWWAC-PMACEKPBSA-N 1 2 345.450 3.618 20 30 EHEDLO Cc1cc(C)n2c(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cnc2n1 ZINC000093872316 1042566221 /nfs/dbraw/zinc/56/62/21/1042566221.db2.gz PMBUYIIIMNWWAC-PMACEKPBSA-N 1 2 345.450 3.618 20 30 EHEDLO N#C[C@@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc2cc(F)ccc2s1 ZINC000671278887 1126828864 /nfs/dbraw/zinc/82/88/64/1126828864.db2.gz IIWFHLOSVQRHOX-ZDUSSCGKSA-N 1 2 336.351 3.573 20 30 EHEDLO N#CC(C(=O)c1ccc2c[nH+]cn2c1)c1nc2cc(F)ccc2s1 ZINC000671278887 1126828865 /nfs/dbraw/zinc/82/88/65/1126828865.db2.gz IIWFHLOSVQRHOX-ZDUSSCGKSA-N 1 2 336.351 3.573 20 30 EHEDLO N#Cc1cc2ccccc2nc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000765574307 1127678912 /nfs/dbraw/zinc/67/89/12/1127678912.db2.gz JYANWFOJZGVSJY-UHFFFAOYSA-N 1 2 346.409 3.568 20 30 EHEDLO C=CC(C)(C)CCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000624464046 1128368471 /nfs/dbraw/zinc/36/84/71/1128368471.db2.gz JTTXZSONMLRBFZ-UHFFFAOYSA-N 1 2 332.492 3.687 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000542691775 1128541678 /nfs/dbraw/zinc/54/16/78/1128541678.db2.gz WXRYJQLKOWBKSK-UHFFFAOYSA-N 1 2 343.814 3.504 20 30 EHEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301088915 1128572425 /nfs/dbraw/zinc/57/24/25/1128572425.db2.gz LVBZDCWTMLRPMP-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO N#CC1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000057874228 1128717073 /nfs/dbraw/zinc/71/70/73/1128717073.db2.gz SGEFOLJYRKXZTA-NRFANRHFSA-N 1 2 339.483 3.660 20 30 EHEDLO Cc1cn2cc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)ccc2[nH+]1 ZINC000265737417 1128728773 /nfs/dbraw/zinc/72/87/73/1128728773.db2.gz UTJDRWXLFAPOOM-UHFFFAOYSA-N 1 2 347.422 3.957 20 30 EHEDLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593126691 1120362298 /nfs/dbraw/zinc/36/22/98/1120362298.db2.gz VAIQCAGJXYOZPW-UHFFFAOYSA-N 1 2 333.435 3.910 20 30 EHEDLO Cc1cccc(C)c1NC(=O)CCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593126691 1120362306 /nfs/dbraw/zinc/36/23/06/1120362306.db2.gz VAIQCAGJXYOZPW-UHFFFAOYSA-N 1 2 333.435 3.910 20 30 EHEDLO Clc1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)cc1Cl ZINC000914772344 1120982178 /nfs/dbraw/zinc/98/21/78/1120982178.db2.gz RIXLXSIJPUFQCD-UHFFFAOYSA-N 1 2 336.226 3.830 20 30 EHEDLO N#Cc1cccc(C[NH2+]Cc2csc(COc3ccccc3)n2)c1 ZINC000113320388 1128999974 /nfs/dbraw/zinc/99/99/74/1128999974.db2.gz FGQROAGOQHTLKJ-UHFFFAOYSA-N 1 2 335.432 3.884 20 30 EHEDLO CC(=NNC(=S)Nc1ccccc1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915920324 1121983289 /nfs/dbraw/zinc/98/32/89/1121983289.db2.gz FABSOBQKQCLGQE-UHFFFAOYSA-N 1 2 349.463 3.891 20 30 EHEDLO CN(CCC#N)c1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1 ZINC000916842634 1122365748 /nfs/dbraw/zinc/36/57/48/1122365748.db2.gz RFUDXRMNVBPBER-UHFFFAOYSA-N 1 2 335.455 3.644 20 30 EHEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)[C@@H]1CCc2ccccc21 ZINC000917119493 1122514083 /nfs/dbraw/zinc/51/40/83/1122514083.db2.gz IJQFCQOYJPJKGZ-OAQYLSRUSA-N 1 2 332.447 3.865 20 30 EHEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1C)[C@@H]1CCc2ccccc21 ZINC000917119493 1122514088 /nfs/dbraw/zinc/51/40/88/1122514088.db2.gz IJQFCQOYJPJKGZ-OAQYLSRUSA-N 1 2 332.447 3.865 20 30 EHEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000609538902 1123606656 /nfs/dbraw/zinc/60/66/56/1123606656.db2.gz OVUOTRVOTBSHAM-GOSISDBHSA-N 1 2 342.874 3.554 20 30 EHEDLO CC(C)[N@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(C#N)cc1 ZINC000069071029 1124100323 /nfs/dbraw/zinc/10/03/23/1124100323.db2.gz SLCQJBHGZNSYCA-UHFFFAOYSA-N 1 2 349.463 3.882 20 30 EHEDLO CC(C)[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1ccc(C#N)cc1 ZINC000069071029 1124100325 /nfs/dbraw/zinc/10/03/25/1124100325.db2.gz SLCQJBHGZNSYCA-UHFFFAOYSA-N 1 2 349.463 3.882 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000617219568 1124458928 /nfs/dbraw/zinc/45/89/28/1124458928.db2.gz YSYPAGSDUFSWFI-GFCCVEGCSA-N 1 2 345.187 3.524 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000617219568 1124458937 /nfs/dbraw/zinc/45/89/37/1124458937.db2.gz YSYPAGSDUFSWFI-GFCCVEGCSA-N 1 2 345.187 3.524 20 30 EHEDLO COc1cc(C)c(C[N@H+](C)Cc2ccc(F)cc2C#N)cc1OC ZINC000171374303 1130049778 /nfs/dbraw/zinc/04/97/78/1130049778.db2.gz VEBWCLJVCKPKDE-UHFFFAOYSA-N 1 2 328.387 3.655 20 30 EHEDLO COc1cc(C)c(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1OC ZINC000171374303 1130049784 /nfs/dbraw/zinc/04/97/84/1130049784.db2.gz VEBWCLJVCKPKDE-UHFFFAOYSA-N 1 2 328.387 3.655 20 30 EHEDLO CC(C)(C)Oc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1C#N ZINC001129203939 1130560170 /nfs/dbraw/zinc/56/01/70/1130560170.db2.gz VLVACOLVXZXMAT-UHFFFAOYSA-N 1 2 334.379 3.636 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000728044359 1130620836 /nfs/dbraw/zinc/62/08/36/1130620836.db2.gz VCGXQDMEVWVHBW-MRXNPFEDSA-N 1 2 342.508 3.723 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000728044359 1130620839 /nfs/dbraw/zinc/62/08/39/1130620839.db2.gz VCGXQDMEVWVHBW-MRXNPFEDSA-N 1 2 342.508 3.723 20 30 EHEDLO COc1cccc(C=NNc2cc[nH+]c3ccccc23)c1OC(C)C ZINC000730148143 1130679092 /nfs/dbraw/zinc/67/90/92/1130679092.db2.gz XXZVLTUERMVURO-UHFFFAOYSA-N 1 2 335.407 3.899 20 30 EHEDLO COc1ccc(-c2nc3c(s2)C(=O)/C(=C/c2[nH]cc[nH+]2)CC3)cc1 ZINC000731159377 1130774226 /nfs/dbraw/zinc/77/42/26/1130774226.db2.gz PMBYPKSFDDGSKC-ZRDIBKRKSA-N 1 2 337.404 3.754 20 30 EHEDLO C#Cc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282559680 1131093718 /nfs/dbraw/zinc/09/37/18/1131093718.db2.gz SMYLVZKYERIJLI-QGZVFWFLSA-N 1 2 348.450 3.612 20 30 EHEDLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347965621 1131107953 /nfs/dbraw/zinc/10/79/53/1131107953.db2.gz YKAIRPWBTMFNDR-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347965621 1131107956 /nfs/dbraw/zinc/10/79/56/1131107956.db2.gz YKAIRPWBTMFNDR-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc(Br)cc(F)c1O ZINC000840786628 1131476983 /nfs/dbraw/zinc/47/69/83/1131476983.db2.gz AVENWDNFTTXIHI-SECBINFHSA-N 1 2 329.213 3.884 20 30 EHEDLO CC(=[NH+]Nc1cccc(C)c1)c1c(F)cccc1N1CCOCC1 ZINC000741160151 1131581921 /nfs/dbraw/zinc/58/19/21/1131581921.db2.gz LRNKPAXYBVKFBD-UHFFFAOYSA-N 1 2 327.403 3.807 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc2c(c1)OCO2 ZINC000737445156 1131641880 /nfs/dbraw/zinc/64/18/80/1131641880.db2.gz YRLVTCWKSHQHKC-ONEGZZNKSA-N 1 2 326.739 3.613 20 30 EHEDLO Cc1cc([C@H]2CCC[N@@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)on1 ZINC000744139738 1132028281 /nfs/dbraw/zinc/02/82/81/1132028281.db2.gz HJZJWTIYIBCJNV-GOSISDBHSA-N 1 2 333.395 3.513 20 30 EHEDLO Cc1cc([C@H]2CCC[N@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)on1 ZINC000744139738 1132028288 /nfs/dbraw/zinc/02/82/88/1132028288.db2.gz HJZJWTIYIBCJNV-GOSISDBHSA-N 1 2 333.395 3.513 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@H](CC(C)C)CC1=O ZINC000744433149 1132097488 /nfs/dbraw/zinc/09/74/88/1132097488.db2.gz VUXTWUOFRZFBBR-GOSISDBHSA-N 1 2 330.472 3.535 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@H](CC(C)C)CC1=O ZINC000744433149 1132097495 /nfs/dbraw/zinc/09/74/95/1132097495.db2.gz VUXTWUOFRZFBBR-GOSISDBHSA-N 1 2 330.472 3.535 20 30 EHEDLO N#Cc1c(Cl)ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1Cl ZINC001174980019 1132534228 /nfs/dbraw/zinc/53/42/28/1132534228.db2.gz MCBPQKPUDHCYAE-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)CCn1cc[nH+]c1 ZINC001176873303 1133006446 /nfs/dbraw/zinc/00/64/46/1133006446.db2.gz GJLDOLOPAVEAHK-UHFFFAOYSA-N 1 2 340.383 3.651 20 30 EHEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)CCn1cc[nH+]c1 ZINC001176878709 1133007027 /nfs/dbraw/zinc/00/70/27/1133007027.db2.gz GMYBPJXOUXHICI-UHFFFAOYSA-N 1 2 345.906 3.794 20 30 EHEDLO N#CCN1CC[NH+](Cc2ccc(-c3ccccc3)c(Cl)c2)CC1 ZINC001179869094 1133296496 /nfs/dbraw/zinc/29/64/96/1133296496.db2.gz NCYHTCOOBNMHCC-UHFFFAOYSA-N 1 2 325.843 3.648 20 30 EHEDLO N#C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(Cl)c1Cl ZINC000770416668 1133425851 /nfs/dbraw/zinc/42/58/51/1133425851.db2.gz OKSOYAVOFLHROQ-LBPRGKRZSA-N 1 2 345.189 3.636 20 30 EHEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c1=S ZINC000770669616 1133457625 /nfs/dbraw/zinc/45/76/25/1133457625.db2.gz DVTQVAXIJKJOPW-AWEZNQCLSA-N 1 2 332.517 3.947 20 30 EHEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1=S ZINC000770669616 1133457627 /nfs/dbraw/zinc/45/76/27/1133457627.db2.gz DVTQVAXIJKJOPW-AWEZNQCLSA-N 1 2 332.517 3.947 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1Cl ZINC001182222526 1133598854 /nfs/dbraw/zinc/59/88/54/1133598854.db2.gz FKFBXXMVTLRMNF-WMLDXEAASA-N 1 2 335.879 3.777 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)N[C@H](C#N)CC(C)C)c1ccccc1Cl ZINC001182222527 1133598914 /nfs/dbraw/zinc/59/89/14/1133598914.db2.gz FKFBXXMVTLRMNF-YOEHRIQHSA-N 1 2 335.879 3.777 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(-n4cccn4)cc3)n2c1 ZINC000771861420 1133602696 /nfs/dbraw/zinc/60/26/96/1133602696.db2.gz STCPKDXHJIEUKV-HJWRWDBZSA-N 1 2 328.375 3.725 20 30 EHEDLO C[C@@H](C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC001182794742 1133729153 /nfs/dbraw/zinc/72/91/53/1133729153.db2.gz XHIWRSISZHIVCM-MRXNPFEDSA-N 1 2 344.418 3.506 20 30 EHEDLO C=C(C[NH+]1CCCC1)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001183076347 1133761786 /nfs/dbraw/zinc/76/17/86/1133761786.db2.gz YGRRFDQQBONENZ-UHFFFAOYSA-N 1 2 329.227 3.598 20 30 EHEDLO CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838349 1133863254 /nfs/dbraw/zinc/86/32/54/1133863254.db2.gz FVNCYBJDECWQBA-QKLQHJQFSA-N 1 2 341.499 3.854 20 30 EHEDLO CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838349 1133863258 /nfs/dbraw/zinc/86/32/58/1133863258.db2.gz FVNCYBJDECWQBA-QKLQHJQFSA-N 1 2 341.499 3.854 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000787692774 1134030260 /nfs/dbraw/zinc/03/02/60/1134030260.db2.gz HRMUFRVCKYSNDL-UHFFFAOYSA-N 1 2 340.854 3.845 20 30 EHEDLO COc1ncc(C(C)=NNc2cc[nH+]c3ccccc23)cc1Cl ZINC000789003915 1134203955 /nfs/dbraw/zinc/20/39/55/1134203955.db2.gz KUTHIQZPAFTGFQ-UHFFFAOYSA-N 1 2 326.787 3.550 20 30 EHEDLO N#Cc1ccc(CNc2c(Br)ccc3[nH+]ccn32)cc1F ZINC001170095869 1134208625 /nfs/dbraw/zinc/20/86/25/1134208625.db2.gz KAXMPTRRHAOIGE-UHFFFAOYSA-N 1 2 345.175 3.720 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc(CC#N)c1 ZINC000791334752 1134532944 /nfs/dbraw/zinc/53/29/44/1134532944.db2.gz WLAOWRXHEHCUBF-UHFFFAOYSA-N 1 2 331.375 3.604 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(Br)nc1 ZINC000792636423 1134760925 /nfs/dbraw/zinc/76/09/25/1134760925.db2.gz YFAOEKGDVRWJBT-UHFFFAOYSA-N 1 2 345.244 3.648 20 30 EHEDLO C[C@H](C#N)c1ccc(NC(=O)c2cccc(-c3c[nH+]cn3C)c2)cc1 ZINC001194910720 1135339392 /nfs/dbraw/zinc/33/93/92/1135339392.db2.gz XLXMMVQCOPRGDZ-CQSZACIVSA-N 1 2 330.391 3.966 20 30 EHEDLO CC[C@](C)(C(=O)OC)[N@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC001195342632 1135414258 /nfs/dbraw/zinc/41/42/58/1135414258.db2.gz RGCDHBHWBORNHV-LJQANCHMSA-N 1 2 333.859 3.745 20 30 EHEDLO CC[C@](C)(C(=O)OC)[N@@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC001195342632 1135414260 /nfs/dbraw/zinc/41/42/60/1135414260.db2.gz RGCDHBHWBORNHV-LJQANCHMSA-N 1 2 333.859 3.745 20 30 EHEDLO CCCCCCCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000104983835 1135899076 /nfs/dbraw/zinc/89/90/76/1135899076.db2.gz JKOMFQGNSPISSE-UHFFFAOYSA-N 1 2 346.519 3.918 20 30 EHEDLO CCCC[C@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000810126409 1135924619 /nfs/dbraw/zinc/92/46/19/1135924619.db2.gz XCZQRDBHYRWVKK-UONOGXRCSA-N 1 2 329.469 3.983 20 30 EHEDLO CCCC[C@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000810126409 1135924622 /nfs/dbraw/zinc/92/46/22/1135924622.db2.gz XCZQRDBHYRWVKK-UONOGXRCSA-N 1 2 329.469 3.983 20 30 EHEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(F)cc3F)sc2C1 ZINC001202012264 1136081579 /nfs/dbraw/zinc/08/15/79/1136081579.db2.gz PIXVXRRDQPMMGV-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(F)cc3F)sc2C1 ZINC001202012264 1136081580 /nfs/dbraw/zinc/08/15/80/1136081580.db2.gz PIXVXRRDQPMMGV-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO CCc1nc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)co1 ZINC001202435444 1136143219 /nfs/dbraw/zinc/14/32/19/1136143219.db2.gz LHRRLANNZNXLBN-UHFFFAOYSA-N 1 2 347.418 3.977 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000813330817 1136318641 /nfs/dbraw/zinc/31/86/41/1136318641.db2.gz BLLOJNPFRYFTLR-INIZCTEOSA-N 1 2 346.434 4.000 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000813330817 1136318645 /nfs/dbraw/zinc/31/86/45/1136318645.db2.gz BLLOJNPFRYFTLR-INIZCTEOSA-N 1 2 346.434 4.000 20 30 EHEDLO Cc1ccc2ncc(C#N)c(N3CCC([N@H+](C)CC(F)F)CC3)c2c1 ZINC000813591995 1136347929 /nfs/dbraw/zinc/34/79/29/1136347929.db2.gz BTQWUGDIZMCYHJ-UHFFFAOYSA-N 1 2 344.409 3.581 20 30 EHEDLO Cc1ccc2ncc(C#N)c(N3CCC([N@@H+](C)CC(F)F)CC3)c2c1 ZINC000813591995 1136347932 /nfs/dbraw/zinc/34/79/32/1136347932.db2.gz BTQWUGDIZMCYHJ-UHFFFAOYSA-N 1 2 344.409 3.581 20 30 EHEDLO Cc1cc(C)cc(OCC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852324841 1136448509 /nfs/dbraw/zinc/44/85/09/1136448509.db2.gz CJCVWWVUCSKWGL-OAQYLSRUSA-N 1 2 335.451 3.635 20 30 EHEDLO Cc1cc(C)cc(OCC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852324841 1136448510 /nfs/dbraw/zinc/44/85/10/1136448510.db2.gz CJCVWWVUCSKWGL-OAQYLSRUSA-N 1 2 335.451 3.635 20 30 EHEDLO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000852592409 1136468620 /nfs/dbraw/zinc/46/86/20/1136468620.db2.gz PBYFLVRAXJNKLZ-KFWWJZLASA-N 1 2 341.480 3.983 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(F)c(COC)c1 ZINC000853298107 1136524535 /nfs/dbraw/zinc/52/45/35/1136524535.db2.gz RLGKPJBHPNJWON-UHFFFAOYSA-N 1 2 328.387 3.771 20 30 EHEDLO CC(=[NH+]Nc1ccc(F)c(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000814946704 1136530098 /nfs/dbraw/zinc/53/00/98/1136530098.db2.gz USPDNWKWYNZRID-UHFFFAOYSA-N 1 2 349.356 3.777 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(C)C)nc2C)c1 ZINC000815020755 1136538152 /nfs/dbraw/zinc/53/81/52/1136538152.db2.gz GUABRFIBCMUKAO-UHFFFAOYSA-N 1 2 335.451 3.565 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(C)C)nc2C)c1 ZINC000815020755 1136538155 /nfs/dbraw/zinc/53/81/55/1136538155.db2.gz GUABRFIBCMUKAO-UHFFFAOYSA-N 1 2 335.451 3.565 20 30 EHEDLO CC(C)n1cc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000925488551 1136652726 /nfs/dbraw/zinc/65/27/26/1136652726.db2.gz KOKYPMKNVUBGDY-ZDUSSCGKSA-N 1 2 336.361 3.580 20 30 EHEDLO Cc1cc2ccccc2nc1N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000776782977 1136665240 /nfs/dbraw/zinc/66/52/40/1136665240.db2.gz QJASBISAYFWTMO-UHFFFAOYSA-N 1 2 346.434 3.826 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(Br)c(F)cc1O ZINC000818355528 1136875636 /nfs/dbraw/zinc/87/56/36/1136875636.db2.gz HERUMXOTMQWAFM-LPEHRKFASA-N 1 2 327.197 3.637 20 30 EHEDLO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(Br)c(F)cc1O ZINC000818355519 1136875869 /nfs/dbraw/zinc/87/58/69/1136875869.db2.gz HERUMXOTMQWAFM-KXUCPTDWSA-N 1 2 327.197 3.637 20 30 EHEDLO C#CC[C@@H](CCOC)Nc1[nH+]ccc2cc(Br)ccc21 ZINC000858858510 1136995015 /nfs/dbraw/zinc/99/50/15/1136995015.db2.gz JKODJPYCQFMVFH-AWEZNQCLSA-N 1 2 333.229 3.838 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(Cl)cc(F)c1O)C2 ZINC000862542613 1137149081 /nfs/dbraw/zinc/14/90/81/1137149081.db2.gz VFAKJQFXRDLNGK-UHFFFAOYSA-N 1 2 330.790 3.809 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC001136931811 1137150553 /nfs/dbraw/zinc/15/05/53/1137150553.db2.gz WPEKGBIBXKVNNK-KRWDZBQOSA-N 1 2 327.815 3.650 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC001136931811 1137150554 /nfs/dbraw/zinc/15/05/54/1137150554.db2.gz WPEKGBIBXKVNNK-KRWDZBQOSA-N 1 2 327.815 3.650 20 30 EHEDLO Cc1cccnc1N1CCC[N@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726290 1137194321 /nfs/dbraw/zinc/19/43/21/1137194321.db2.gz KTVHXXBOECHQIO-UHFFFAOYSA-N 1 2 340.858 3.627 20 30 EHEDLO Cc1cccnc1N1CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726290 1137194323 /nfs/dbraw/zinc/19/43/23/1137194323.db2.gz KTVHXXBOECHQIO-UHFFFAOYSA-N 1 2 340.858 3.627 20 30 EHEDLO CC(C)Oc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794698185 1137236261 /nfs/dbraw/zinc/23/62/61/1137236261.db2.gz OGUYYIOTDWTGQB-MDZDMXLPSA-N 1 2 330.453 3.888 20 30 EHEDLO Cc1ccnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1Br ZINC000865506771 1137289961 /nfs/dbraw/zinc/28/99/61/1137289961.db2.gz UFNWBPGWVHFESN-UHFFFAOYSA-N 1 2 342.240 3.803 20 30 EHEDLO C[C@H](CC(=O)OCC#Cc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845510884 1137297533 /nfs/dbraw/zinc/29/75/33/1137297533.db2.gz JQGAJNOVGQWAJQ-GFCCVEGCSA-N 1 2 337.206 3.736 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001171191977 1137298645 /nfs/dbraw/zinc/29/86/45/1137298645.db2.gz JJAWSQGFZHZBBJ-KRWDZBQOSA-N 1 2 348.446 3.745 20 30 EHEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cccc2cnccc21 ZINC000794905793 1137341769 /nfs/dbraw/zinc/34/17/69/1137341769.db2.gz ZMTVDJDOECRRSQ-UHFFFAOYSA-N 1 2 342.406 3.757 20 30 EHEDLO COC(=O)CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866295020 1137343413 /nfs/dbraw/zinc/34/34/13/1137343413.db2.gz QKUFADOKVMDBMX-KSSFIOAISA-N 1 2 338.407 3.609 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001171228721 1137353651 /nfs/dbraw/zinc/35/36/51/1137353651.db2.gz IFNUOBGJLHEZEI-QGZVFWFLSA-N 1 2 342.446 3.869 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001171228721 1137353653 /nfs/dbraw/zinc/35/36/53/1137353653.db2.gz IFNUOBGJLHEZEI-QGZVFWFLSA-N 1 2 342.446 3.869 20 30 EHEDLO CN(C)c1ccc(CNc2cc(CC#N)cc[nH+]2)c(C(F)(F)F)c1 ZINC000794944510 1137372638 /nfs/dbraw/zinc/37/26/38/1137372638.db2.gz HGCZRAZLQORQHJ-UHFFFAOYSA-N 1 2 334.345 3.845 20 30 EHEDLO C=CCOc1ccc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001148464137 1137425318 /nfs/dbraw/zinc/42/53/18/1137425318.db2.gz XKRONOMOTFHBRJ-UHFFFAOYSA-N 1 2 347.418 3.709 20 30 EHEDLO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000348100502 1137440622 /nfs/dbraw/zinc/44/06/22/1137440622.db2.gz ZRFARWXOQGSINP-UHFFFAOYSA-N 1 2 337.395 3.950 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001171399443 1137470876 /nfs/dbraw/zinc/47/08/76/1137470876.db2.gz HUBUXULNAUGRNH-CQSZACIVSA-N 1 2 343.390 3.673 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001171399443 1137470878 /nfs/dbraw/zinc/47/08/78/1137470878.db2.gz HUBUXULNAUGRNH-CQSZACIVSA-N 1 2 343.390 3.673 20 30 EHEDLO CSCC[C@H]([NH2+][C@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172302727 1137545438 /nfs/dbraw/zinc/54/54/38/1137545438.db2.gz PMLVKDILRCWALB-PBHICJAKSA-N 1 2 348.512 3.542 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)cc1 ZINC000876692001 1137659215 /nfs/dbraw/zinc/65/92/15/1137659215.db2.gz KVSLQDZTLDWTML-UHFFFAOYSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000876770302 1137660799 /nfs/dbraw/zinc/66/07/99/1137660799.db2.gz CFJWJMIVCBOUGI-QGZVFWFLSA-N 1 2 326.831 3.683 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000876770302 1137660800 /nfs/dbraw/zinc/66/08/00/1137660800.db2.gz CFJWJMIVCBOUGI-QGZVFWFLSA-N 1 2 326.831 3.683 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876795885 1137661467 /nfs/dbraw/zinc/66/14/67/1137661467.db2.gz BFZWLMTWAYNRJV-QZTJIDSGSA-N 1 2 333.391 3.805 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876795885 1137661468 /nfs/dbraw/zinc/66/14/68/1137661468.db2.gz BFZWLMTWAYNRJV-QZTJIDSGSA-N 1 2 333.391 3.805 20 30 EHEDLO COC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(Cl)cc1 ZINC000877483038 1137677818 /nfs/dbraw/zinc/67/78/18/1137677818.db2.gz KFGWPXDZFZXSPI-OAHLLOKOSA-N 1 2 336.222 3.737 20 30 EHEDLO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(C(F)(F)F)nc1Cl ZINC000877549924 1137681027 /nfs/dbraw/zinc/68/10/27/1137681027.db2.gz KIHDXXPUUGMPCQ-SECBINFHSA-N 1 2 340.736 3.871 20 30 EHEDLO C=C(C)C[C@H]([NH2+][C@H](C)CCc1cncc2ccccc21)C(=O)OC ZINC000877691034 1137685958 /nfs/dbraw/zinc/68/59/58/1137685958.db2.gz YKFHIZGQUGPRMR-BEFAXECRSA-N 1 2 326.440 3.653 20 30 EHEDLO Cn1ccc(-c2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cs2)n1 ZINC000878001823 1137699081 /nfs/dbraw/zinc/69/90/81/1137699081.db2.gz DLBGJOJCPHSJOU-UHFFFAOYSA-N 1 2 349.463 3.580 20 30 EHEDLO Cn1ccc(-c2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cs2)n1 ZINC000878001823 1137699082 /nfs/dbraw/zinc/69/90/82/1137699082.db2.gz DLBGJOJCPHSJOU-UHFFFAOYSA-N 1 2 349.463 3.580 20 30 EHEDLO N#Cc1ccc(C2CC[NH+](Cc3cnc(Cl)c(F)c3)CC2)nc1 ZINC000879024434 1137735593 /nfs/dbraw/zinc/73/55/93/1137735593.db2.gz VTPNLLDWJRUCIW-UHFFFAOYSA-N 1 2 330.794 3.520 20 30 EHEDLO C[C@@H]1c2sccc2CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000880378489 1137777360 /nfs/dbraw/zinc/77/73/60/1137777360.db2.gz VCIVQYKOUFQMQD-GFCCVEGCSA-N 1 2 336.420 3.789 20 30 EHEDLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000880378489 1137777361 /nfs/dbraw/zinc/77/73/61/1137777361.db2.gz VCIVQYKOUFQMQD-GFCCVEGCSA-N 1 2 336.420 3.789 20 30 EHEDLO C=C1CCC(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000888818850 1137780351 /nfs/dbraw/zinc/78/03/51/1137780351.db2.gz VEPVWDCTYLJGFU-INIZCTEOSA-N 1 2 328.456 3.765 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883593570 1137864971 /nfs/dbraw/zinc/86/49/71/1137864971.db2.gz MBPQMWITDVUREZ-FUHWJXTLSA-N 1 2 326.444 3.668 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1cccc(Br)c1 ZINC000133154472 1137879463 /nfs/dbraw/zinc/87/94/63/1137879463.db2.gz FZZGODAMXSEVAC-BQYQJAHWSA-N 1 2 327.181 3.993 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(C#N)s3)n2)CC1 ZINC000331388378 1137892652 /nfs/dbraw/zinc/89/26/52/1137892652.db2.gz DCVWWDZWZYAMBW-UHFFFAOYSA-N 1 2 346.481 3.560 20 30 EHEDLO C[C@H]1CCN(c2ccc(C#N)cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000120159003 1137947003 /nfs/dbraw/zinc/94/70/03/1137947003.db2.gz UALPOHMOYYILBD-LRDDRELGSA-N 1 2 345.244 3.605 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c(C#N)c1C ZINC000086235719 1138186401 /nfs/dbraw/zinc/18/64/01/1138186401.db2.gz UMHICVUKQDEFEU-LBPRGKRZSA-N 1 2 343.452 3.994 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]([C@@H](C)c2ccco2)C2CC2)c(C#N)c1C ZINC000086235719 1138186402 /nfs/dbraw/zinc/18/64/02/1138186402.db2.gz UMHICVUKQDEFEU-LBPRGKRZSA-N 1 2 343.452 3.994 20 30 EHEDLO C[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000134081115 1138672367 /nfs/dbraw/zinc/67/23/67/1138672367.db2.gz BXICQPJUCGGMDF-LRDDRELGSA-N 1 2 334.345 3.861 20 30 EHEDLO C[NH+](C)[C@H](CNc1snc(Cl)c1C#N)c1c(F)cccc1F ZINC000265190022 1138760274 /nfs/dbraw/zinc/76/02/74/1138760274.db2.gz KQSIOMGKVUXRBS-LLVKDONJSA-N 1 2 342.802 3.661 20 30 EHEDLO C=CCN(CCc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000338173516 1138774478 /nfs/dbraw/zinc/77/44/78/1138774478.db2.gz HEEGGGDMQSPJBF-UHFFFAOYSA-N 1 2 345.446 3.802 20 30 EHEDLO CC(C)C[N@H+](Cc1ncnn1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000338233927 1138796780 /nfs/dbraw/zinc/79/67/80/1138796780.db2.gz GUBJJPGQRAMYBX-UHFFFAOYSA-N 1 2 325.460 3.563 20 30 EHEDLO CC(C)C[N@@H+](Cc1ncnn1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000338233927 1138796783 /nfs/dbraw/zinc/79/67/83/1138796783.db2.gz GUBJJPGQRAMYBX-UHFFFAOYSA-N 1 2 325.460 3.563 20 30 EHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000175403849 1139488399 /nfs/dbraw/zinc/48/83/99/1139488399.db2.gz XDAAEBRXHDUPLB-NPMABZOXSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000175403849 1139488402 /nfs/dbraw/zinc/48/84/02/1139488402.db2.gz XDAAEBRXHDUPLB-NPMABZOXSA-N 1 2 330.428 3.628 20 30 EHEDLO C#Cc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000183660082 1140052191 /nfs/dbraw/zinc/05/21/91/1140052191.db2.gz BLPRGFXBPIRITL-OAHLLOKOSA-N 1 2 339.464 3.640 20 30 EHEDLO C[C@@H](CCC#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000188199606 1140286971 /nfs/dbraw/zinc/28/69/71/1140286971.db2.gz IDFLLCVNFRMACV-HNNXBMFYSA-N 1 2 341.484 3.647 20 30 EHEDLO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191817681 1140487064 /nfs/dbraw/zinc/48/70/64/1140487064.db2.gz DUJRQXAUUCLNBN-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191817681 1140487069 /nfs/dbraw/zinc/48/70/69/1140487069.db2.gz DUJRQXAUUCLNBN-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO N#Cc1ccc([C@@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000192296291 1140521336 /nfs/dbraw/zinc/52/13/36/1140521336.db2.gz JEFAJCCPQIKVCA-IBGZPJMESA-N 1 2 328.362 3.534 20 30 EHEDLO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000192296291 1140521341 /nfs/dbraw/zinc/52/13/41/1140521341.db2.gz JEFAJCCPQIKVCA-IBGZPJMESA-N 1 2 328.362 3.534 20 30 EHEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000266967259 1140745033 /nfs/dbraw/zinc/74/50/33/1140745033.db2.gz YQPBODQUKKZUJN-RYUDHWBXSA-N 1 2 329.469 3.538 20 30 EHEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000266967259 1140745039 /nfs/dbraw/zinc/74/50/39/1140745039.db2.gz YQPBODQUKKZUJN-RYUDHWBXSA-N 1 2 329.469 3.538 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)c(C#N)c1C ZINC000269431308 1141107745 /nfs/dbraw/zinc/10/77/45/1141107745.db2.gz LOOYCMQKPYJECR-MRXNPFEDSA-N 1 2 341.411 3.917 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccco2)c(C#N)c1C ZINC000269431308 1141107750 /nfs/dbraw/zinc/10/77/50/1141107750.db2.gz LOOYCMQKPYJECR-MRXNPFEDSA-N 1 2 341.411 3.917 20 30 EHEDLO CC[N@@H+](Cc1ccc(F)cc1C#N)Cc1ccc(OC)cc1OC ZINC000343733300 1032101299 /nfs/dbraw/zinc/10/12/99/1032101299.db2.gz NEOTYHYRQXSCAW-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO CC[N@H+](Cc1ccc(F)cc1C#N)Cc1ccc(OC)cc1OC ZINC000343733300 1032101307 /nfs/dbraw/zinc/10/13/07/1032101307.db2.gz NEOTYHYRQXSCAW-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO C=C[C@@H](CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000340160160 1016532443 /nfs/dbraw/zinc/53/24/43/1016532443.db2.gz MCFIFNKKOUBVDL-SFHVURJKSA-N 1 2 331.419 3.848 20 30 EHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000376597156 1016745643 /nfs/dbraw/zinc/74/56/43/1016745643.db2.gz YXMTVOUGRTZMMU-UHFFFAOYSA-N 1 2 329.806 3.931 20 30 EHEDLO N#CCc1ccc(NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000212068909 1016796908 /nfs/dbraw/zinc/79/69/08/1016796908.db2.gz VOHSVOVEIJSDQA-YHYXMXQVSA-N 1 2 328.375 3.590 20 30 EHEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000459471450 1032184128 /nfs/dbraw/zinc/18/41/28/1032184128.db2.gz VPOAWXNBGHTUQC-JOYOIKCWSA-N 1 2 345.752 3.579 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000602004618 1032588174 /nfs/dbraw/zinc/58/81/74/1032588174.db2.gz GVALGDBZVXYDFM-MOPGFXCFSA-N 1 2 328.362 3.846 20 30 EHEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000547951590 1017566836 /nfs/dbraw/zinc/56/68/36/1017566836.db2.gz MHQFLHJNIFSICP-LJQANCHMSA-N 1 2 340.492 3.752 20 30 EHEDLO CCCCCCCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121131910 1018353494 /nfs/dbraw/zinc/35/34/94/1018353494.db2.gz FTRYANZDDXOUQH-UHFFFAOYSA-N 1 2 332.492 3.664 20 30 EHEDLO COc1cc(Nc2ccc(Br)c(OC)c2C#N)cc(C)[nH+]1 ZINC001210784704 1018689616 /nfs/dbraw/zinc/68/96/16/1018689616.db2.gz UBVUTJARYZXCRQ-UHFFFAOYSA-N 1 2 348.200 3.785 20 30 EHEDLO N#CCOc1ccc(/C=C\C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000255306890 1018918606 /nfs/dbraw/zinc/91/86/06/1018918606.db2.gz VHSUCLXBGJKMAW-KMKOMSMNSA-N 1 2 344.374 3.631 20 30 EHEDLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1C ZINC000614403902 1018980976 /nfs/dbraw/zinc/98/09/76/1018980976.db2.gz YWOYEYOKMUOHCJ-FQEVSTJZSA-N 1 2 336.435 3.993 20 30 EHEDLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1C ZINC000614403902 1018980988 /nfs/dbraw/zinc/98/09/88/1018980988.db2.gz YWOYEYOKMUOHCJ-FQEVSTJZSA-N 1 2 336.435 3.993 20 30 EHEDLO N#Cc1ccccc1C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797212 1018987635 /nfs/dbraw/zinc/98/76/35/1018987635.db2.gz LMYHBFGDFNWVMP-UHFFFAOYSA-N 1 2 340.373 3.931 20 30 EHEDLO C=CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000121259888 1020220317 /nfs/dbraw/zinc/22/03/17/1020220317.db2.gz IOAKBWITTKBZCC-GOSISDBHSA-N 1 2 339.395 3.701 20 30 EHEDLO C=CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000121259888 1020220321 /nfs/dbraw/zinc/22/03/21/1020220321.db2.gz IOAKBWITTKBZCC-GOSISDBHSA-N 1 2 339.395 3.701 20 30 EHEDLO O=C1C=COC2(CC[NH+](Cc3ccsc3C(F)(F)F)CC2)C1 ZINC000897599385 1032904765 /nfs/dbraw/zinc/90/47/65/1032904765.db2.gz IZYCEVKTELNHRU-UHFFFAOYSA-N 1 2 331.359 3.605 20 30 EHEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000157339757 1021209818 /nfs/dbraw/zinc/20/98/18/1021209818.db2.gz JEDQXGIVTBVQGJ-NRFANRHFSA-N 1 2 329.403 3.841 20 30 EHEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000276422820 1021259000 /nfs/dbraw/zinc/25/90/00/1021259000.db2.gz MUIXQOFHARWFJU-UHFFFAOYSA-N 1 2 333.432 3.975 20 30 EHEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000276422820 1021259005 /nfs/dbraw/zinc/25/90/05/1021259005.db2.gz MUIXQOFHARWFJU-UHFFFAOYSA-N 1 2 333.432 3.975 20 30 EHEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000276458333 1021402943 /nfs/dbraw/zinc/40/29/43/1021402943.db2.gz QLAVWLKQMASGFM-UHFFFAOYSA-N 1 2 345.468 3.844 20 30 EHEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2OC)n1 ZINC000276458333 1021402953 /nfs/dbraw/zinc/40/29/53/1021402953.db2.gz QLAVWLKQMASGFM-UHFFFAOYSA-N 1 2 345.468 3.844 20 30 EHEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000602594593 1032991476 /nfs/dbraw/zinc/99/14/76/1032991476.db2.gz RMTDOKDDRBPTAE-INIZCTEOSA-N 1 2 328.460 3.583 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)Cc1cccc(C#N)c1 ZINC000519872983 1021740946 /nfs/dbraw/zinc/74/09/46/1021740946.db2.gz GTKQPMPGFOVCAY-UHFFFAOYSA-N 1 2 337.398 3.633 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1F)Cc1cccc(C#N)c1 ZINC000519872983 1021740963 /nfs/dbraw/zinc/74/09/63/1021740963.db2.gz GTKQPMPGFOVCAY-UHFFFAOYSA-N 1 2 337.398 3.633 20 30 EHEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1c(C2CC2)nc2sccn12 ZINC000897625527 1033017947 /nfs/dbraw/zinc/01/79/47/1033017947.db2.gz LZTUITAJSWFJKK-UHFFFAOYSA-N 1 2 328.466 3.838 20 30 EHEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1c(C2CC2)nc2sccn12 ZINC000897625527 1033017957 /nfs/dbraw/zinc/01/79/57/1033017957.db2.gz LZTUITAJSWFJKK-UHFFFAOYSA-N 1 2 328.466 3.838 20 30 EHEDLO CCOc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000341582435 1022388806 /nfs/dbraw/zinc/38/88/06/1022388806.db2.gz CCKJULJUNZUERN-CQSZACIVSA-N 1 2 348.406 3.858 20 30 EHEDLO CC(C)(C)c1cnc(CCC(=O)NCc2cn3c([nH+]2)CCCC3)o1 ZINC000328714627 1022475628 /nfs/dbraw/zinc/47/56/28/1022475628.db2.gz CNZJPWWXJGBIFA-UHFFFAOYSA-N 1 2 330.432 3.594 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCSCc3ccccc3)CCO2)c1 ZINC000430757886 1022660584 /nfs/dbraw/zinc/66/05/84/1022660584.db2.gz XQPSWQMAVKTVKF-HXUWFJFHSA-N 1 2 338.476 3.865 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCSCc3ccccc3)CCO2)c1 ZINC000430757886 1022660586 /nfs/dbraw/zinc/66/05/86/1022660586.db2.gz XQPSWQMAVKTVKF-HXUWFJFHSA-N 1 2 338.476 3.865 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(Cl)c1Cl ZINC000330868289 1022690622 /nfs/dbraw/zinc/69/06/22/1022690622.db2.gz YOFKIBQPUVHKSR-UMNHJUIQSA-N 1 2 326.227 3.602 20 30 EHEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000127314143 1022895008 /nfs/dbraw/zinc/89/50/08/1022895008.db2.gz GJDNKLABZWXJPJ-UHFFFAOYSA-N 1 2 349.390 3.698 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507003862 1023081458 /nfs/dbraw/zinc/08/14/58/1023081458.db2.gz ZQAUIXFIOZBHSR-UHFFFAOYSA-N 1 2 348.855 3.921 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000507003862 1023081466 /nfs/dbraw/zinc/08/14/66/1023081466.db2.gz ZQAUIXFIOZBHSR-UHFFFAOYSA-N 1 2 348.855 3.921 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000341992059 1023744891 /nfs/dbraw/zinc/74/48/91/1023744891.db2.gz MKDJSNBPJVXQNW-UHFFFAOYSA-N 1 2 327.453 3.562 20 30 EHEDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC1(CC#N)CC1 ZINC000602768950 1033166400 /nfs/dbraw/zinc/16/64/00/1033166400.db2.gz YDHIUAQPZWHDPA-UHFFFAOYSA-N 1 2 340.254 3.948 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC1(CC#N)CC1 ZINC000602768950 1033166408 /nfs/dbraw/zinc/16/64/08/1033166408.db2.gz YDHIUAQPZWHDPA-UHFFFAOYSA-N 1 2 340.254 3.948 20 30 EHEDLO CC(C)CC[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nc1 ZINC000151335908 1024099964 /nfs/dbraw/zinc/09/99/64/1024099964.db2.gz PDKMNUNGGMVWEF-UHFFFAOYSA-N 1 2 329.366 3.784 20 30 EHEDLO CC(C)CC[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nc1 ZINC000151335908 1024099976 /nfs/dbraw/zinc/09/99/76/1024099976.db2.gz PDKMNUNGGMVWEF-UHFFFAOYSA-N 1 2 329.366 3.784 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CCC1CCCC1 ZINC000330178650 1024342632 /nfs/dbraw/zinc/34/26/32/1024342632.db2.gz DWAOPXJPQKLTLL-SJORKVTESA-N 1 2 330.476 3.547 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC000330235308 1024366480 /nfs/dbraw/zinc/36/64/80/1024366480.db2.gz GVOYNBYMTCFXPH-XHSDSOJGSA-N 1 2 344.503 3.531 20 30 EHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000602819127 1033207502 /nfs/dbraw/zinc/20/75/02/1033207502.db2.gz ZBXGVLBMXWJLQS-QAQDUYKDSA-N 1 2 349.438 3.807 20 30 EHEDLO C#CC[N@H+](CC#CC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001167503698 1024430944 /nfs/dbraw/zinc/43/09/44/1024430944.db2.gz CDELLDOKSBHZKY-UHFFFAOYSA-N 1 2 326.443 3.845 20 30 EHEDLO C#CC[N@@H+](CC#CC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001167503698 1024430951 /nfs/dbraw/zinc/43/09/51/1024430951.db2.gz CDELLDOKSBHZKY-UHFFFAOYSA-N 1 2 326.443 3.845 20 30 EHEDLO C=CCOc1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000434980569 1024528205 /nfs/dbraw/zinc/52/82/05/1024528205.db2.gz AJFRRIROWIFLFQ-OAQYLSRUSA-N 1 2 347.462 3.634 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1C)Cc1cccs1 ZINC000346275294 1024565814 /nfs/dbraw/zinc/56/58/14/1024565814.db2.gz JHLFXDABGYKOGR-UHFFFAOYSA-N 1 2 328.481 3.703 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1C)Cc1cccs1 ZINC000346275294 1024565819 /nfs/dbraw/zinc/56/58/19/1024565819.db2.gz JHLFXDABGYKOGR-UHFFFAOYSA-N 1 2 328.481 3.703 20 30 EHEDLO Cc1nc2sccn2c1C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000474292278 1024700076 /nfs/dbraw/zinc/70/00/76/1024700076.db2.gz VEBZUHXFKCLEED-UHFFFAOYSA-N 1 2 329.856 3.841 20 30 EHEDLO Cc1nc2sccn2c1C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000474292278 1024700088 /nfs/dbraw/zinc/70/00/88/1024700088.db2.gz VEBZUHXFKCLEED-UHFFFAOYSA-N 1 2 329.856 3.841 20 30 EHEDLO Cc1c[nH+]c(CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)n1C ZINC000425363079 1024863428 /nfs/dbraw/zinc/86/34/28/1024863428.db2.gz ADMLRIOFBUOSPI-GFCCVEGCSA-N 1 2 336.361 3.662 20 30 EHEDLO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909795 1033242734 /nfs/dbraw/zinc/24/27/34/1033242734.db2.gz AZSIJNSXNWXZRB-CYBMUJFWSA-N 1 2 339.443 3.574 20 30 EHEDLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000895835832 1024903079 /nfs/dbraw/zinc/90/30/79/1024903079.db2.gz FXTZBFIKJOIZFE-GFCCVEGCSA-N 1 2 345.258 3.591 20 30 EHEDLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000895835832 1024903086 /nfs/dbraw/zinc/90/30/86/1024903086.db2.gz FXTZBFIKJOIZFE-GFCCVEGCSA-N 1 2 345.258 3.591 20 30 EHEDLO C=CCOc1ccc(C[N@@H+](Cc2ncnn2CCF)C(C)(C)C)cc1 ZINC000281507108 1025098310 /nfs/dbraw/zinc/09/83/10/1025098310.db2.gz SDVDMEIGOVRVSQ-UHFFFAOYSA-N 1 2 346.450 3.613 20 30 EHEDLO C=CCOc1ccc(C[N@H+](Cc2ncnn2CCF)C(C)(C)C)cc1 ZINC000281507108 1025098315 /nfs/dbraw/zinc/09/83/15/1025098315.db2.gz SDVDMEIGOVRVSQ-UHFFFAOYSA-N 1 2 346.450 3.613 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccs1 ZINC000019540514 1025175662 /nfs/dbraw/zinc/17/56/62/1025175662.db2.gz QBWRFPDZQWYSMG-IBGZPJMESA-N 1 2 340.492 3.930 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccs1 ZINC000019540514 1025175676 /nfs/dbraw/zinc/17/56/76/1025175676.db2.gz QBWRFPDZQWYSMG-IBGZPJMESA-N 1 2 340.492 3.930 20 30 EHEDLO COc1ccc(Br)c(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000087788788 1025176275 /nfs/dbraw/zinc/17/62/75/1025176275.db2.gz SQTKSFHKFPWYHK-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1ccc(Br)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000087788788 1025176283 /nfs/dbraw/zinc/17/62/83/1025176283.db2.gz SQTKSFHKFPWYHK-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001141893885 1025465320 /nfs/dbraw/zinc/46/53/20/1025465320.db2.gz CINXNUGPZQNJGM-UHFFFAOYSA-N 1 2 329.188 3.942 20 30 EHEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC001141893885 1025465306 /nfs/dbraw/zinc/46/53/06/1025465306.db2.gz CINXNUGPZQNJGM-UHFFFAOYSA-N 1 2 329.188 3.942 20 30 EHEDLO CC1=CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000436256322 1025516397 /nfs/dbraw/zinc/51/63/97/1025516397.db2.gz AIRRVGDLOBTERB-CQSZACIVSA-N 1 2 343.496 3.868 20 30 EHEDLO CC1=CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000436256322 1025516405 /nfs/dbraw/zinc/51/64/05/1025516405.db2.gz AIRRVGDLOBTERB-CQSZACIVSA-N 1 2 343.496 3.868 20 30 EHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000329237869 1025686647 /nfs/dbraw/zinc/68/66/47/1025686647.db2.gz KQZUIBYABDNCOX-MRXNPFEDSA-N 1 2 327.428 3.831 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)c(C#N)c1C ZINC000505837586 1025784967 /nfs/dbraw/zinc/78/49/67/1025784967.db2.gz FFFREQKEEXOMPL-RXQFDZFGSA-N 1 2 349.434 3.884 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)c(C#N)c1C ZINC000505837586 1025784984 /nfs/dbraw/zinc/78/49/84/1025784984.db2.gz FFFREQKEEXOMPL-RXQFDZFGSA-N 1 2 349.434 3.884 20 30 EHEDLO CC(C)(C)CCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000783555097 1026080593 /nfs/dbraw/zinc/08/05/93/1026080593.db2.gz OGBXJMWCTZJDHW-UHFFFAOYSA-N 1 2 327.428 3.734 20 30 EHEDLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000272856244 1027150309 /nfs/dbraw/zinc/15/03/09/1027150309.db2.gz UDMDPNLWOFEKPY-UHFFFAOYSA-N 1 2 345.258 3.734 20 30 EHEDLO N#Cc1cccc(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c1F ZINC000347334092 1027756653 /nfs/dbraw/zinc/75/66/53/1027756653.db2.gz MFDIBLJNZNWTET-YOEHRIQHSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1cccc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c1F ZINC000347334092 1027756668 /nfs/dbraw/zinc/75/66/68/1027756668.db2.gz MFDIBLJNZNWTET-YOEHRIQHSA-N 1 2 342.439 3.698 20 30 EHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868669 1027767729 /nfs/dbraw/zinc/76/77/29/1027767729.db2.gz OTJCYMXFPMYUTB-GFCCVEGCSA-N 1 2 345.805 3.810 20 30 EHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868669 1027767746 /nfs/dbraw/zinc/76/77/46/1027767746.db2.gz OTJCYMXFPMYUTB-GFCCVEGCSA-N 1 2 345.805 3.810 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948458 1027912639 /nfs/dbraw/zinc/91/26/39/1027912639.db2.gz NZGIRGAXCQMLNO-CHWSQXEVSA-N 1 2 339.361 3.550 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948458 1027912656 /nfs/dbraw/zinc/91/26/56/1027912656.db2.gz NZGIRGAXCQMLNO-CHWSQXEVSA-N 1 2 339.361 3.550 20 30 EHEDLO Cc1nc(C)c(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)s1 ZINC000444776024 1028263754 /nfs/dbraw/zinc/26/37/54/1028263754.db2.gz KESWEPDMHMJUBP-UHFFFAOYSA-N 1 2 346.887 3.607 20 30 EHEDLO C[C@@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000021191783 1028265730 /nfs/dbraw/zinc/26/57/30/1028265730.db2.gz KOSGWSODOMBSQO-CQSZACIVSA-N 1 2 339.439 3.648 20 30 EHEDLO COc1ccc([C@@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000459384298 1028896857 /nfs/dbraw/zinc/89/68/57/1028896857.db2.gz IAPZHIMXCZSCGW-IBGZPJMESA-N 1 2 337.379 3.716 20 30 EHEDLO C=CCCc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000505016225 1029118347 /nfs/dbraw/zinc/11/83/47/1029118347.db2.gz DDDHLKUHMSEPGW-QGZVFWFLSA-N 1 2 336.439 3.601 20 30 EHEDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc(F)c1C#N ZINC000428447395 1029702236 /nfs/dbraw/zinc/70/22/36/1029702236.db2.gz OLZYAPZIQZHSGR-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc(F)c1C#N ZINC000428447395 1029702247 /nfs/dbraw/zinc/70/22/47/1029702247.db2.gz OLZYAPZIQZHSGR-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000092975166 1030541976 /nfs/dbraw/zinc/54/19/76/1030541976.db2.gz JRBXCYMUVIOWHE-YWZLYKJASA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000092975166 1030541996 /nfs/dbraw/zinc/54/19/96/1030541996.db2.gz JRBXCYMUVIOWHE-YWZLYKJASA-N 1 2 340.398 3.690 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCc2cccnc21 ZINC000329402207 1030637714 /nfs/dbraw/zinc/63/77/14/1030637714.db2.gz WKELFULRSSSVGS-KRWDZBQOSA-N 1 2 336.439 3.653 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768309 1030669643 /nfs/dbraw/zinc/66/96/43/1030669643.db2.gz WBOYOEWLJQTNCZ-KSSFIOAISA-N 1 2 328.437 3.612 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768309 1030669647 /nfs/dbraw/zinc/66/96/47/1030669647.db2.gz WBOYOEWLJQTNCZ-KSSFIOAISA-N 1 2 328.437 3.612 20 30 EHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000160459773 1030774787 /nfs/dbraw/zinc/77/47/87/1030774787.db2.gz SRMLUVOSCODBHX-UHFFFAOYSA-N 1 2 328.362 3.880 20 30 EHEDLO OC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000483244918 1031054369 /nfs/dbraw/zinc/05/43/69/1031054369.db2.gz XSAWYJBZKMUNPU-MRXNPFEDSA-N 1 2 338.209 3.807 20 30 EHEDLO Cc1ccnc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000343513625 1031206820 /nfs/dbraw/zinc/20/68/20/1031206820.db2.gz QSLLEXBQECKKRE-AWEZNQCLSA-N 1 2 342.393 3.616 20 30 EHEDLO Cc1ccnc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000343513625 1031206834 /nfs/dbraw/zinc/20/68/34/1031206834.db2.gz QSLLEXBQECKKRE-AWEZNQCLSA-N 1 2 342.393 3.616 20 30 EHEDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343520272 1031238050 /nfs/dbraw/zinc/23/80/50/1031238050.db2.gz DLEFNBSRRKPMCD-UHFFFAOYSA-N 1 2 330.435 3.629 20 30 EHEDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343520272 1031238057 /nfs/dbraw/zinc/23/80/57/1031238057.db2.gz DLEFNBSRRKPMCD-UHFFFAOYSA-N 1 2 330.435 3.629 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000595443568 1033807138 /nfs/dbraw/zinc/80/71/38/1033807138.db2.gz VKYWEEUEDCTMSR-IBGZPJMESA-N 1 2 326.827 3.828 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000595443568 1033807146 /nfs/dbraw/zinc/80/71/46/1033807146.db2.gz VKYWEEUEDCTMSR-IBGZPJMESA-N 1 2 326.827 3.828 20 30 EHEDLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595610498 1033920985 /nfs/dbraw/zinc/92/09/85/1033920985.db2.gz ZVNPGAKIDXMBNO-AWEZNQCLSA-N 1 2 327.453 3.944 20 30 EHEDLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC000595610498 1033920995 /nfs/dbraw/zinc/92/09/95/1033920995.db2.gz ZVNPGAKIDXMBNO-AWEZNQCLSA-N 1 2 327.453 3.944 20 30 EHEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842778 1034003375 /nfs/dbraw/zinc/00/33/75/1034003375.db2.gz HAPZSAAVKKUMHM-LJQANCHMSA-N 1 2 342.874 3.937 20 30 EHEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842778 1034003389 /nfs/dbraw/zinc/00/33/89/1034003389.db2.gz HAPZSAAVKKUMHM-LJQANCHMSA-N 1 2 342.874 3.937 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000599686374 1034115927 /nfs/dbraw/zinc/11/59/27/1034115927.db2.gz ROMXBSLIHIHAGP-UHFFFAOYSA-N 1 2 336.826 3.612 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000599686374 1034115933 /nfs/dbraw/zinc/11/59/33/1034115933.db2.gz ROMXBSLIHIHAGP-UHFFFAOYSA-N 1 2 336.826 3.612 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119515900 1034178127 /nfs/dbraw/zinc/17/81/27/1034178127.db2.gz BRFQYMDNXHXSJY-MRXNPFEDSA-N 1 2 348.512 3.650 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000119515900 1034178134 /nfs/dbraw/zinc/17/81/34/1034178134.db2.gz BRFQYMDNXHXSJY-MRXNPFEDSA-N 1 2 348.512 3.650 20 30 EHEDLO COc1ccc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1C#N ZINC000179762587 1034595549 /nfs/dbraw/zinc/59/55/49/1034595549.db2.gz YXQJFFIQORKFSM-NRFANRHFSA-N 1 2 347.393 3.980 20 30 EHEDLO CCOc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000597230672 1034610554 /nfs/dbraw/zinc/61/05/54/1034610554.db2.gz TUAZICFSYPRBEQ-MRXNPFEDSA-N 1 2 342.361 3.762 20 30 EHEDLO CCOc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000597230672 1034610558 /nfs/dbraw/zinc/61/05/58/1034610558.db2.gz TUAZICFSYPRBEQ-MRXNPFEDSA-N 1 2 342.361 3.762 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)c2ccc3cc(C#N)ccc3n2)c1C ZINC000179899752 1034987938 /nfs/dbraw/zinc/98/79/38/1034987938.db2.gz FFLJDRJUDZEIPT-UHFFFAOYSA-N 1 2 332.407 3.763 20 30 EHEDLO CC[C@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000612490194 1034995960 /nfs/dbraw/zinc/99/59/60/1034995960.db2.gz QCAUBACUFKMVSZ-NSHDSACASA-N 1 2 326.347 3.669 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1C ZINC000491298774 1035623640 /nfs/dbraw/zinc/62/36/40/1035623640.db2.gz XKBYKLGENCRENZ-UHFFFAOYSA-N 1 2 332.831 3.911 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)ccc1C ZINC000491298774 1035623651 /nfs/dbraw/zinc/62/36/51/1035623651.db2.gz XKBYKLGENCRENZ-UHFFFAOYSA-N 1 2 332.831 3.911 20 30 EHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000189882643 1036139476 /nfs/dbraw/zinc/13/94/76/1036139476.db2.gz BYEIJSHLUGUCGG-SJORKVTESA-N 1 2 334.410 3.573 20 30 EHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000189882643 1036139490 /nfs/dbraw/zinc/13/94/90/1036139490.db2.gz BYEIJSHLUGUCGG-SJORKVTESA-N 1 2 334.410 3.573 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000539441328 1036757497 /nfs/dbraw/zinc/75/74/97/1036757497.db2.gz FURHFWBJMFFPIJ-CQSZACIVSA-N 1 2 336.505 3.995 20 30 EHEDLO N#CC1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000057906797 1037251951 /nfs/dbraw/zinc/25/19/51/1037251951.db2.gz VGQAKHBVNRFILY-UHFFFAOYSA-N 1 2 343.652 3.717 20 30 EHEDLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181203606 1037440916 /nfs/dbraw/zinc/44/09/16/1037440916.db2.gz SBHDTXDBPDULET-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181203606 1037440930 /nfs/dbraw/zinc/44/09/30/1037440930.db2.gz SBHDTXDBPDULET-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO C#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000491670602 1037612997 /nfs/dbraw/zinc/61/29/97/1037612997.db2.gz DNCBTWUOANUQIF-IBGZPJMESA-N 1 2 349.821 3.689 20 30 EHEDLO CC(C)c1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000046086357 1037726228 /nfs/dbraw/zinc/72/62/28/1037726228.db2.gz TUOMHSYLWHOXPC-UHFFFAOYSA-N 1 2 340.496 3.850 20 30 EHEDLO CC(C)c1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000046086357 1037726242 /nfs/dbraw/zinc/72/62/42/1037726242.db2.gz TUOMHSYLWHOXPC-UHFFFAOYSA-N 1 2 340.496 3.850 20 30 EHEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000573860902 1037787172 /nfs/dbraw/zinc/78/71/72/1037787172.db2.gz PUELZJKDVWCQFB-LPHOPBHVSA-N 1 2 335.451 3.886 20 30 EHEDLO N#Cc1cnccc1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000592058503 1037820531 /nfs/dbraw/zinc/82/05/31/1037820531.db2.gz HKKZZZQRXJBODH-UHFFFAOYSA-N 1 2 334.448 3.943 20 30 EHEDLO COc1cc(C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)ccc1C#N ZINC000492044237 1037894856 /nfs/dbraw/zinc/89/48/56/1037894856.db2.gz KGIUWVCJCKJGAU-UHFFFAOYSA-N 1 2 339.317 3.599 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000668822781 1038877981 /nfs/dbraw/zinc/87/79/81/1038877981.db2.gz CHJNSNJITCZVMO-FZKQIMNGSA-N 1 2 341.398 3.505 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000668822781 1038877995 /nfs/dbraw/zinc/87/79/95/1038877995.db2.gz CHJNSNJITCZVMO-FZKQIMNGSA-N 1 2 341.398 3.505 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCO2 ZINC000512375576 1038911246 /nfs/dbraw/zinc/91/12/46/1038911246.db2.gz UZOXLJGBOKKEHQ-UHFFFAOYSA-N 1 2 326.352 3.512 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCO2 ZINC000512375576 1038911259 /nfs/dbraw/zinc/91/12/59/1038911259.db2.gz UZOXLJGBOKKEHQ-UHFFFAOYSA-N 1 2 326.352 3.512 20 30 EHEDLO Cc1cc(CNc2ccc(F)cc2OCC#N)c2c([nH+]1)CCCC2 ZINC000893437413 1042010467 /nfs/dbraw/zinc/01/04/67/1042010467.db2.gz TXQQWBLIPBZMFG-UHFFFAOYSA-N 1 2 325.387 3.922 20 30 EHEDLO Cn1c(NCc2ccc(F)c(C#N)c2Cl)[nH+]c2cccc(Cl)c21 ZINC000432412773 1043115290 /nfs/dbraw/zinc/11/52/90/1043115290.db2.gz CTZNBXXQICNLLH-UHFFFAOYSA-N 1 2 349.196 3.925 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344101292 1043250116 /nfs/dbraw/zinc/25/01/16/1043250116.db2.gz CXHOISZJZFWJMD-HNNXBMFYSA-N 1 2 349.434 3.558 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344101292 1043250123 /nfs/dbraw/zinc/25/01/23/1043250123.db2.gz CXHOISZJZFWJMD-HNNXBMFYSA-N 1 2 349.434 3.558 20 30 EHEDLO Cc1[nH+]c(NCCC(F)(F)F)nc(NCCC(F)(F)F)c1F ZINC000663673075 1043448862 /nfs/dbraw/zinc/44/88/62/1043448862.db2.gz FAWHWNXJEFJNLM-UHFFFAOYSA-N 1 2 334.239 3.653 20 30 EHEDLO C=CCC(C)(C)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000432645791 1044573560 /nfs/dbraw/zinc/57/35/60/1044573560.db2.gz XTOSMCUQZLQKBN-UHFFFAOYSA-N 1 2 336.505 3.853 20 30 EHEDLO C=CCN(CC1CCCCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000112213450 1044587653 /nfs/dbraw/zinc/58/76/53/1044587653.db2.gz MUWAVIIQBROQRR-UHFFFAOYSA-N 1 2 344.503 3.540 20 30 EHEDLO C=C(C)CC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000386841428 1127020907 /nfs/dbraw/zinc/02/09/07/1127020907.db2.gz XUHVUYICSSIIDT-UHFFFAOYSA-N 1 2 349.066 3.973 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000180504240 1127167413 /nfs/dbraw/zinc/16/74/13/1127167413.db2.gz NQPGTIIRNDADFO-MRXNPFEDSA-N 1 2 330.476 3.616 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@@H](C)CC2)c1=S ZINC000764945279 1127558201 /nfs/dbraw/zinc/55/82/01/1127558201.db2.gz OANDUBNLHPUMFL-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@@H](C)CC2)c1=S ZINC000764945279 1127558204 /nfs/dbraw/zinc/55/82/04/1127558204.db2.gz OANDUBNLHPUMFL-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO CCC(CC)C[N@H+](CCC#N)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764976985 1127559613 /nfs/dbraw/zinc/55/96/13/1127559613.db2.gz UVMFEWFLOIJRLO-UHFFFAOYSA-N 1 2 343.431 3.862 20 30 EHEDLO CCC(CC)C[N@@H+](CCC#N)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764976985 1127559614 /nfs/dbraw/zinc/55/96/14/1127559614.db2.gz UVMFEWFLOIJRLO-UHFFFAOYSA-N 1 2 343.431 3.862 20 30 EHEDLO C=C1CCC(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000888371866 1128004697 /nfs/dbraw/zinc/00/46/97/1128004697.db2.gz FTXAPHHIPPZAPA-UHFFFAOYSA-N 1 2 325.412 3.647 20 30 EHEDLO C=CCCC[N@@H+](CC)Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000902668728 1128373993 /nfs/dbraw/zinc/37/39/93/1128373993.db2.gz FKZJOESBVZBGCZ-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO C=CCCC[N@H+](CC)Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000902668728 1128373996 /nfs/dbraw/zinc/37/39/96/1128373996.db2.gz FKZJOESBVZBGCZ-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO N#Cc1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(C(F)(F)F)c1 ZINC000301618865 1128598372 /nfs/dbraw/zinc/59/83/72/1128598372.db2.gz BQMAXCXNHLXRCM-AWEZNQCLSA-N 1 2 333.313 3.630 20 30 EHEDLO C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccc(C#N)cc1 ZINC000064556580 1128943143 /nfs/dbraw/zinc/94/31/43/1128943143.db2.gz UQANUXDGOGXQFR-UHFFFAOYSA-N 1 2 342.446 3.865 20 30 EHEDLO C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccc(C#N)cc1 ZINC000064556580 1128943148 /nfs/dbraw/zinc/94/31/48/1128943148.db2.gz UQANUXDGOGXQFR-UHFFFAOYSA-N 1 2 342.446 3.865 20 30 EHEDLO CCN(CCO)c1ccc(C=[NH+]Nc2cc(F)cc(F)c2)c(C)c1 ZINC000920376149 1123361856 /nfs/dbraw/zinc/36/18/56/1123361856.db2.gz CVAWYXYUQJPJHV-UHFFFAOYSA-N 1 2 333.382 3.538 20 30 EHEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000617043033 1124079758 /nfs/dbraw/zinc/07/97/58/1124079758.db2.gz YTIYVNDENPXQFF-AZUAARDMSA-N 1 2 337.467 3.725 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000735305433 1131329463 /nfs/dbraw/zinc/32/94/63/1131329463.db2.gz ZYEHFDAVDHHNKP-UHFFFAOYSA-N 1 2 341.842 3.565 20 30 EHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093669905 1129598872 /nfs/dbraw/zinc/59/88/72/1129598872.db2.gz MSRYTGBMANUTFO-AWEZNQCLSA-N 1 2 329.831 3.683 20 30 EHEDLO N#Cc1ccc(C2=CC[N@H+](Cn3ccc(-c4nccs4)n3)CC2)cc1 ZINC000766089255 1130245277 /nfs/dbraw/zinc/24/52/77/1130245277.db2.gz SGMIDIGHJFCPQC-UHFFFAOYSA-N 1 2 347.447 3.625 20 30 EHEDLO N#Cc1ccc(C2=CC[N@@H+](Cn3ccc(-c4nccs4)n3)CC2)cc1 ZINC000766089255 1130245280 /nfs/dbraw/zinc/24/52/80/1130245280.db2.gz SGMIDIGHJFCPQC-UHFFFAOYSA-N 1 2 347.447 3.625 20 30 EHEDLO N#Cc1ccc(-c2ccc(-c3noc(Cn4cc[nH+]c4)n3)cc2)cc1 ZINC001212536356 1130322522 /nfs/dbraw/zinc/32/25/22/1130322522.db2.gz BQZDXXFGNIYKJZ-UHFFFAOYSA-N 1 2 327.347 3.520 20 30 EHEDLO C#CCCOc1ccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1 ZINC000751504993 1130663478 /nfs/dbraw/zinc/66/34/78/1130663478.db2.gz MVNVUVPWSLIOGN-UHFFFAOYSA-N 1 2 337.316 3.935 20 30 EHEDLO CCC(=NNc1cc[nH+]c2ccccc12)c1ccc(OC)c(OC)c1 ZINC000730148417 1130679390 /nfs/dbraw/zinc/67/93/90/1130679390.db2.gz UOBOVMOACNBPJW-UHFFFAOYSA-N 1 2 335.407 3.900 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000732184588 1130895194 /nfs/dbraw/zinc/89/51/94/1130895194.db2.gz ZLOPPLFNEXRUGH-CQSZACIVSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000732184588 1130895199 /nfs/dbraw/zinc/89/51/99/1130895199.db2.gz ZLOPPLFNEXRUGH-CQSZACIVSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCOc1ccc(/C=C/C(=O)Nc2cccc3[nH+]ccn32)cc1OC ZINC000741740967 1131638966 /nfs/dbraw/zinc/63/89/66/1131638966.db2.gz ZCOACEZNYHXXGA-CSKARUKUSA-N 1 2 349.390 3.560 20 30 EHEDLO CCCCCCCC[C@H](CC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001172501955 1131761476 /nfs/dbraw/zinc/76/14/76/1131761476.db2.gz GMICFUBOSPMHCT-HOTGVXAUSA-N 1 2 329.481 3.600 20 30 EHEDLO CCC(C#N)(CC)[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173417181 1132068112 /nfs/dbraw/zinc/06/81/12/1132068112.db2.gz OEVSKDOUGBOGTH-UHFFFAOYSA-N 1 2 333.863 3.617 20 30 EHEDLO CCCCCCCCOC(=O)C[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173440945 1132069386 /nfs/dbraw/zinc/06/93/86/1132069386.db2.gz KMQLQFZAJWQZFF-INIZCTEOSA-N 1 2 329.481 3.602 20 30 EHEDLO Nc1ccccc1C(NO)=[NH+]c1cccc(OCc2ccccc2)c1 ZINC001174212227 1132287157 /nfs/dbraw/zinc/28/71/57/1132287157.db2.gz JEKJBJYXPYILDW-UHFFFAOYSA-N 1 2 333.391 3.905 20 30 EHEDLO C[C@@H]1CN(c2ccc(Nc3ccc(Cl)c(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC001174400010 1132332885 /nfs/dbraw/zinc/33/28/85/1132332885.db2.gz GCPMZRBMQPFHDG-BETUJISGSA-N 1 2 342.830 3.964 20 30 EHEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1ncn(C2CC2)c1=S ZINC000746056041 1132358611 /nfs/dbraw/zinc/35/86/11/1132358611.db2.gz QCTNOOUSUHRPED-UHFFFAOYSA-N 1 2 341.484 3.736 20 30 EHEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1ncn(C2CC2)c1=S ZINC000746056041 1132358619 /nfs/dbraw/zinc/35/86/19/1132358619.db2.gz QCTNOOUSUHRPED-UHFFFAOYSA-N 1 2 341.484 3.736 20 30 EHEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC001168874185 1132594260 /nfs/dbraw/zinc/59/42/60/1132594260.db2.gz SPXSGJHHJBMLBH-INIZCTEOSA-N 1 2 331.847 3.752 20 30 EHEDLO N#Cc1cc(F)cc(Nc2cc(Br)cn3cc[nH+]c23)c1 ZINC001175684036 1132737397 /nfs/dbraw/zinc/73/73/97/1132737397.db2.gz WSOBTOVZUCUWNJ-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO N#Cc1cnnc(-c2ccccc2)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749952 1132992767 /nfs/dbraw/zinc/99/27/67/1132992767.db2.gz OZKJFRUGDSRWHP-UHFFFAOYSA-N 1 2 342.406 3.754 20 30 EHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000769546005 1133312607 /nfs/dbraw/zinc/31/26/07/1133312607.db2.gz UAUZMHJGGXGYFD-HNNXBMFYSA-N 1 2 342.443 3.709 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000769546005 1133312611 /nfs/dbraw/zinc/31/26/11/1133312611.db2.gz UAUZMHJGGXGYFD-HNNXBMFYSA-N 1 2 342.443 3.709 20 30 EHEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1=S ZINC000770669617 1133458030 /nfs/dbraw/zinc/45/80/30/1133458030.db2.gz DVTQVAXIJKJOPW-CQSZACIVSA-N 1 2 332.517 3.947 20 30 EHEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1=S ZINC000770669617 1133458034 /nfs/dbraw/zinc/45/80/34/1133458034.db2.gz DVTQVAXIJKJOPW-CQSZACIVSA-N 1 2 332.517 3.947 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cn(CCC)nc1C ZINC001181706894 1133514175 /nfs/dbraw/zinc/51/41/75/1133514175.db2.gz CWBFPPRQMIEKFC-UHFFFAOYSA-N 1 2 329.492 3.957 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cn(CCC)nc1C ZINC001181706894 1133514181 /nfs/dbraw/zinc/51/41/81/1133514181.db2.gz CWBFPPRQMIEKFC-UHFFFAOYSA-N 1 2 329.492 3.957 20 30 EHEDLO C=CCCCC[C@H](C)Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1 ZINC001181947429 1133555119 /nfs/dbraw/zinc/55/51/19/1133555119.db2.gz ZGIQWDBCRMVXPL-INIZCTEOSA-N 1 2 346.475 3.517 20 30 EHEDLO FC(F)(F)c1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)cc1 ZINC000746576634 1133836010 /nfs/dbraw/zinc/83/60/10/1133836010.db2.gz BCDDQIRNIMBKSK-UHFFFAOYSA-N 1 2 335.333 3.542 20 30 EHEDLO CC(C)(C#N)CC(=O)OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000786452293 1133856631 /nfs/dbraw/zinc/85/66/31/1133856631.db2.gz IIVIRSSPOSPHGK-UHFFFAOYSA-N 1 2 348.446 3.943 20 30 EHEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1N1CCCC1 ZINC001184967313 1134008732 /nfs/dbraw/zinc/00/87/32/1134008732.db2.gz AGXNYVYJYNSWMH-UHFFFAOYSA-N 1 2 333.439 3.897 20 30 EHEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccc3c(cc[nH]c3=O)c2)cc1 ZINC000789070773 1134216243 /nfs/dbraw/zinc/21/62/43/1134216243.db2.gz MKINRVQPYNMKHB-UHFFFAOYSA-N 1 2 334.423 3.820 20 30 EHEDLO CCCCCCCCS(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC001188001473 1134411080 /nfs/dbraw/zinc/41/10/80/1134411080.db2.gz LRNASQOAQRBSDJ-UHFFFAOYSA-N 1 2 339.505 3.784 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000790619233 1134446992 /nfs/dbraw/zinc/44/69/92/1134446992.db2.gz OQRGJIHIGGKUNN-UHFFFAOYSA-N 1 2 339.826 3.561 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000775346056 1134656833 /nfs/dbraw/zinc/65/68/33/1134656833.db2.gz SYPCJRYQINRICK-CVEARBPZSA-N 1 2 332.856 3.734 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(Br)cn1 ZINC000792635847 1134754697 /nfs/dbraw/zinc/75/46/97/1134754697.db2.gz OAOKIYHBGPHPQI-UHFFFAOYSA-N 1 2 345.244 3.648 20 30 EHEDLO C#CCOc1ccccc1C[NH2+]Cc1c(F)cccc1Br ZINC000792984202 1134834687 /nfs/dbraw/zinc/83/46/87/1134834687.db2.gz FYMHBRJKIZZDDM-UHFFFAOYSA-N 1 2 348.215 3.890 20 30 EHEDLO C=CCCCCCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000806004117 1135370872 /nfs/dbraw/zinc/37/08/72/1135370872.db2.gz FUWBLPFOEBNSEU-UHFFFAOYSA-N 1 2 335.517 3.712 20 30 EHEDLO C#C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(C)(C)C ZINC000808482670 1135677414 /nfs/dbraw/zinc/67/74/14/1135677414.db2.gz VRUUFRREXVYLCV-DZGCQCFKSA-N 1 2 348.516 3.544 20 30 EHEDLO C#C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(C)(C)C ZINC000808482670 1135677416 /nfs/dbraw/zinc/67/74/16/1135677416.db2.gz VRUUFRREXVYLCV-DZGCQCFKSA-N 1 2 348.516 3.544 20 30 EHEDLO C#C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(C)(C)C ZINC000808482672 1135677483 /nfs/dbraw/zinc/67/74/83/1135677483.db2.gz VRUUFRREXVYLCV-UKRRQHHQSA-N 1 2 348.516 3.544 20 30 EHEDLO C#C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(C)(C)C ZINC000808482672 1135677484 /nfs/dbraw/zinc/67/74/84/1135677484.db2.gz VRUUFRREXVYLCV-UKRRQHHQSA-N 1 2 348.516 3.544 20 30 EHEDLO Cc1cccn2c([C@H](C)NC(=S)Nc3cccc(C#N)c3)c[nH+]c12 ZINC001197736235 1135732332 /nfs/dbraw/zinc/73/23/32/1135732332.db2.gz NYGDFUKPCBRBGL-ZDUSSCGKSA-N 1 2 335.436 3.562 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(CC)cc2)n1)[C@H]1CCCO1 ZINC000775792659 1135746322 /nfs/dbraw/zinc/74/63/22/1135746322.db2.gz SKYSEETUYMXXGE-QZTJIDSGSA-N 1 2 326.465 3.643 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccccc2Cl)cs1)[C@@H]1CCCO1 ZINC000775807307 1135756141 /nfs/dbraw/zinc/75/61/41/1135756141.db2.gz QZMUSYXFJZTHSD-ZBFHGGJFSA-N 1 2 332.856 3.734 20 30 EHEDLO C#CCSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000809476483 1135842872 /nfs/dbraw/zinc/84/28/72/1135842872.db2.gz PIKZWPQIZRWCLS-OAHLLOKOSA-N 1 2 326.469 3.540 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1F ZINC000809700176 1135869272 /nfs/dbraw/zinc/86/92/72/1135869272.db2.gz ZMFOVEFSKOKCPW-MRXNPFEDSA-N 1 2 331.774 3.714 20 30 EHEDLO CCCCCCCCCC[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001201875434 1136071999 /nfs/dbraw/zinc/07/19/99/1136071999.db2.gz ZXRSQAQKMVHKLW-INIZCTEOSA-N 1 2 333.513 3.586 20 30 EHEDLO Cc1cc(Cl)cc2c1O/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000811696698 1136126811 /nfs/dbraw/zinc/12/68/11/1136126811.db2.gz GTDBPOSCIFWTJH-MLPAPPSSSA-N 1 2 334.828 3.783 20 30 EHEDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000338930439 1136306850 /nfs/dbraw/zinc/30/68/50/1136306850.db2.gz YGGJJICIXUSWLM-ZDUSSCGKSA-N 1 2 325.368 3.755 20 30 EHEDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000338930439 1136306854 /nfs/dbraw/zinc/30/68/54/1136306854.db2.gz YGGJJICIXUSWLM-ZDUSSCGKSA-N 1 2 325.368 3.755 20 30 EHEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000852637658 1136472593 /nfs/dbraw/zinc/47/25/93/1136472593.db2.gz DZHHUJRZBUYWPO-CQSZACIVSA-N 1 2 334.847 3.776 20 30 EHEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000852637658 1136472596 /nfs/dbraw/zinc/47/25/96/1136472596.db2.gz DZHHUJRZBUYWPO-CQSZACIVSA-N 1 2 334.847 3.776 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@H](CC#N)C2)c1=S ZINC000853525878 1136540923 /nfs/dbraw/zinc/54/09/23/1136540923.db2.gz JFHMOTYKWXPLNX-OAHLLOKOSA-N 1 2 326.469 3.941 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@H](CC#N)C2)c1=S ZINC000853525878 1136540925 /nfs/dbraw/zinc/54/09/25/1136540925.db2.gz JFHMOTYKWXPLNX-OAHLLOKOSA-N 1 2 326.469 3.941 20 30 EHEDLO CC[N@H+](CCC#N)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815056820 1136541464 /nfs/dbraw/zinc/54/14/64/1136541464.db2.gz BBUHPBMWEIQRAA-AWEZNQCLSA-N 1 2 345.668 3.546 20 30 EHEDLO CC[N@@H+](CCC#N)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815056820 1136541468 /nfs/dbraw/zinc/54/14/68/1136541468.db2.gz BBUHPBMWEIQRAA-AWEZNQCLSA-N 1 2 345.668 3.546 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncn(-c2ccccc2F)c1=S ZINC000853598790 1136547551 /nfs/dbraw/zinc/54/75/51/1136547551.db2.gz FYHMIIYDPXWIGF-OKILXGFUSA-N 1 2 330.432 3.683 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncn(-c2ccccc2F)c1=S ZINC000853598790 1136547554 /nfs/dbraw/zinc/54/75/54/1136547554.db2.gz FYHMIIYDPXWIGF-OKILXGFUSA-N 1 2 330.432 3.683 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccccc2)n(C)c1=S ZINC000853599504 1136548393 /nfs/dbraw/zinc/54/83/93/1136548393.db2.gz QMERUWHMDDSVAX-IYBDPMFKSA-N 1 2 326.469 3.759 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccccc2)n(C)c1=S ZINC000853599504 1136548396 /nfs/dbraw/zinc/54/83/96/1136548396.db2.gz QMERUWHMDDSVAX-IYBDPMFKSA-N 1 2 326.469 3.759 20 30 EHEDLO CC(C)[N@H+](CCS(=O)(=O)C1CCCCC1)Cc1ccc(C#N)cc1 ZINC000856722145 1136803146 /nfs/dbraw/zinc/80/31/46/1136803146.db2.gz OCQGFTJPVZRVBN-UHFFFAOYSA-N 1 2 348.512 3.516 20 30 EHEDLO CC(C)[N@@H+](CCS(=O)(=O)C1CCCCC1)Cc1ccc(C#N)cc1 ZINC000856722145 1136803147 /nfs/dbraw/zinc/80/31/47/1136803147.db2.gz OCQGFTJPVZRVBN-UHFFFAOYSA-N 1 2 348.512 3.516 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)c(C#N)c1C ZINC000857200392 1136852587 /nfs/dbraw/zinc/85/25/87/1136852587.db2.gz ILNJJWORLULSDG-GXTWGEPZSA-N 1 2 337.423 3.714 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)c(C#N)c1C ZINC000857200392 1136852590 /nfs/dbraw/zinc/85/25/90/1136852590.db2.gz ILNJJWORLULSDG-GXTWGEPZSA-N 1 2 337.423 3.714 20 30 EHEDLO Cc1cc(C)c(CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)c[nH+]1 ZINC000861933339 1137125363 /nfs/dbraw/zinc/12/53/63/1137125363.db2.gz JTPLMPZPHSYOMO-UHFFFAOYSA-N 1 2 333.435 3.698 20 30 EHEDLO COc1ccccc1O[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143722452 1137193988 /nfs/dbraw/zinc/19/39/88/1137193988.db2.gz APGPVXHLYCVTFG-HNNXBMFYSA-N 1 2 342.826 3.874 20 30 EHEDLO COc1ccccc1O[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143722452 1137193990 /nfs/dbraw/zinc/19/39/90/1137193990.db2.gz APGPVXHLYCVTFG-HNNXBMFYSA-N 1 2 342.826 3.874 20 30 EHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724593 1137194113 /nfs/dbraw/zinc/19/41/13/1137194113.db2.gz YIEIVBAOAIQLHN-LPHOPBHVSA-N 1 2 346.858 3.538 20 30 EHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724593 1137194114 /nfs/dbraw/zinc/19/41/14/1137194114.db2.gz YIEIVBAOAIQLHN-LPHOPBHVSA-N 1 2 346.858 3.538 20 30 EHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001143726251 1137194330 /nfs/dbraw/zinc/19/43/30/1137194330.db2.gz JNHCAFLPRXQEEV-INIZCTEOSA-N 1 2 327.815 3.650 20 30 EHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001143726251 1137194332 /nfs/dbraw/zinc/19/43/32/1137194332.db2.gz JNHCAFLPRXQEEV-INIZCTEOSA-N 1 2 327.815 3.650 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000844281270 1137208719 /nfs/dbraw/zinc/20/87/19/1137208719.db2.gz OJDCZEDPGZSRBA-IBGZPJMESA-N 1 2 331.375 3.589 20 30 EHEDLO C#CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000844281270 1137208721 /nfs/dbraw/zinc/20/87/21/1137208721.db2.gz OJDCZEDPGZSRBA-IBGZPJMESA-N 1 2 331.375 3.589 20 30 EHEDLO C[N@@H+](Cc1csc(C2CCCC2)n1)C[C@H](O)c1cccc(C#N)c1 ZINC000844369952 1137213249 /nfs/dbraw/zinc/21/32/49/1137213249.db2.gz OXXWKTZJHNUSTC-SFHVURJKSA-N 1 2 341.480 3.838 20 30 EHEDLO C[N@H+](Cc1csc(C2CCCC2)n1)C[C@H](O)c1cccc(C#N)c1 ZINC000844369952 1137213251 /nfs/dbraw/zinc/21/32/51/1137213251.db2.gz OXXWKTZJHNUSTC-SFHVURJKSA-N 1 2 341.480 3.838 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2/CSc3c(F)cccc3C2=O)s1 ZINC000794696279 1137235239 /nfs/dbraw/zinc/23/52/39/1137235239.db2.gz DJAMBBAYPXQLDK-POHAHGRESA-N 1 2 334.441 3.716 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(OC(F)(F)F)c1 ZINC001144057021 1137235599 /nfs/dbraw/zinc/23/55/99/1137235599.db2.gz RUXHURNNKBWUCO-LBPRGKRZSA-N 1 2 328.334 3.719 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(OC(F)(F)F)c1 ZINC001144057021 1137235601 /nfs/dbraw/zinc/23/56/01/1137235601.db2.gz RUXHURNNKBWUCO-LBPRGKRZSA-N 1 2 328.334 3.719 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc3cc(O)ccc3c2)s1 ZINC000794703340 1137236110 /nfs/dbraw/zinc/23/61/10/1137236110.db2.gz URHJOBYGWQXQFI-BQYQJAHWSA-N 1 2 338.432 3.960 20 30 EHEDLO Cn1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c2ccccc21 ZINC000794707894 1137239938 /nfs/dbraw/zinc/23/99/38/1137239938.db2.gz OORDAYCERWCLCS-HJWRWDBZSA-N 1 2 325.437 3.593 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1cccc(C#N)c1O ZINC000866240699 1137338046 /nfs/dbraw/zinc/33/80/46/1137338046.db2.gz LTGORWBPTHIORE-OAHLLOKOSA-N 1 2 349.434 3.632 20 30 EHEDLO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)N2CCCC2)o1 ZINC000866253378 1137339745 /nfs/dbraw/zinc/33/97/45/1137339745.db2.gz XYVSNCKTIKMLMT-MAUKXSAKSA-N 1 2 339.439 3.653 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001171220937 1137346682 /nfs/dbraw/zinc/34/66/82/1137346682.db2.gz FXEGXXPXBXHGKC-CYBMUJFWSA-N 1 2 328.362 3.531 20 30 EHEDLO C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866336775 1137346870 /nfs/dbraw/zinc/34/68/70/1137346870.db2.gz MGHZJHCARQWYPX-PXAZEXFGSA-N 1 2 326.371 3.967 20 30 EHEDLO C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1cccc(C#N)c1O)Cc1ccccc1 ZINC000866345699 1137347745 /nfs/dbraw/zinc/34/77/45/1137347745.db2.gz BOCXYWRVPSTUMZ-MRUHUIDDSA-N 1 2 338.451 3.544 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@@H]1OCCc2sccc21 ZINC000866365321 1137349640 /nfs/dbraw/zinc/34/96/40/1137349640.db2.gz VAXXTWZYQXZMCK-IUUKEHGRSA-N 1 2 328.437 3.678 20 30 EHEDLO Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)nc2ccccc12 ZINC000847059955 1137385485 /nfs/dbraw/zinc/38/54/85/1137385485.db2.gz QNTVGWDVDAKGIT-UHFFFAOYSA-N 1 2 328.419 3.979 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C3\CCc4ccc([N+](=O)[O-])cc4C3=O)n21 ZINC000773147869 1137470150 /nfs/dbraw/zinc/47/01/50/1137470150.db2.gz ARBNGIOTVHLHQA-NTEUORMPSA-N 1 2 333.347 3.763 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001171399438 1137470989 /nfs/dbraw/zinc/47/09/89/1137470989.db2.gz HUBUXULNAUGRNH-AWEZNQCLSA-N 1 2 343.390 3.673 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC001171399438 1137470990 /nfs/dbraw/zinc/47/09/90/1137470990.db2.gz HUBUXULNAUGRNH-AWEZNQCLSA-N 1 2 343.390 3.673 20 30 EHEDLO CC(C)[C@](C)(C#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081984 1137531539 /nfs/dbraw/zinc/53/15/39/1137531539.db2.gz FBBGMLNIXNWMCJ-GGXPGOJBSA-N 1 2 335.492 3.835 20 30 EHEDLO C[C@H](Cc1ccc(C#N)cc1)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172313250 1137546323 /nfs/dbraw/zinc/54/63/23/1137546323.db2.gz SPAHRGXMAFALMY-APWZRJJASA-N 1 2 347.453 3.685 20 30 EHEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000874892703 1137625695 /nfs/dbraw/zinc/62/56/95/1137625695.db2.gz KRASFDOTFIMORW-OXQOHEQNSA-N 1 2 338.426 3.659 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000876554416 1137655478 /nfs/dbraw/zinc/65/54/78/1137655478.db2.gz MXAXTIYDBUDAAG-UHFFFAOYSA-N 1 2 341.842 3.788 20 30 EHEDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877398338 1137675296 /nfs/dbraw/zinc/67/52/96/1137675296.db2.gz FFMFLOCVCYPOIQ-UHFFFAOYSA-N 1 2 339.830 3.518 20 30 EHEDLO Cn1ccc(-c2nc(C[NH2+][C@H](CCC#N)c3ccccc3)cs2)n1 ZINC000878375954 1137713516 /nfs/dbraw/zinc/71/35/16/1137713516.db2.gz LGZOEIOYUQPUQQ-MRXNPFEDSA-N 1 2 337.452 3.678 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000127430108 1137732947 /nfs/dbraw/zinc/73/29/47/1137732947.db2.gz OTZJZNSBVHHZPU-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000127430108 1137732948 /nfs/dbraw/zinc/73/29/48/1137732948.db2.gz OTZJZNSBVHHZPU-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000881126022 1137800764 /nfs/dbraw/zinc/80/07/64/1137800764.db2.gz YQUUVGNQKGNZKD-KUHUBIRLSA-N 1 2 349.438 3.747 20 30 EHEDLO CSCc1cnc(C[NH2+]Cc2ccc(SC)c(C#N)c2)s1 ZINC000886277371 1138063538 /nfs/dbraw/zinc/06/35/38/1138063538.db2.gz OPSOLTXMUXGGJV-UHFFFAOYSA-N 1 2 335.523 3.889 20 30 EHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072722743 1138107530 /nfs/dbraw/zinc/10/75/30/1138107530.db2.gz SOLJYTZBJYPZHM-MLGOLLRUSA-N 1 2 343.427 3.780 20 30 EHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072722743 1138107531 /nfs/dbraw/zinc/10/75/31/1138107531.db2.gz SOLJYTZBJYPZHM-MLGOLLRUSA-N 1 2 343.427 3.780 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000125031266 1138299787 /nfs/dbraw/zinc/29/97/87/1138299787.db2.gz RJJOZVUATNSUEC-INIZCTEOSA-N 1 2 345.855 3.510 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000125031266 1138299788 /nfs/dbraw/zinc/29/97/88/1138299788.db2.gz RJJOZVUATNSUEC-INIZCTEOSA-N 1 2 345.855 3.510 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)Cc1ccccn1 ZINC000125374070 1138307244 /nfs/dbraw/zinc/30/72/44/1138307244.db2.gz PILATAWHEUEMER-UHFFFAOYSA-N 1 2 341.480 3.820 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)Cc1ccccn1 ZINC000125374070 1138307248 /nfs/dbraw/zinc/30/72/48/1138307248.db2.gz PILATAWHEUEMER-UHFFFAOYSA-N 1 2 341.480 3.820 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127982039 1138377063 /nfs/dbraw/zinc/37/70/63/1138377063.db2.gz UPLRMCAMEHWBEI-SFHVURJKSA-N 1 2 344.361 3.733 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127982039 1138377069 /nfs/dbraw/zinc/37/70/69/1138377069.db2.gz UPLRMCAMEHWBEI-SFHVURJKSA-N 1 2 344.361 3.733 20 30 EHEDLO CC[N@H+](Cc1nc(CC(F)(F)F)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336882713 1138420452 /nfs/dbraw/zinc/42/04/52/1138420452.db2.gz XFFPVKNEMAZVPH-NSHDSACASA-N 1 2 338.333 3.629 20 30 EHEDLO CC[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336882713 1138420453 /nfs/dbraw/zinc/42/04/53/1138420453.db2.gz XFFPVKNEMAZVPH-NSHDSACASA-N 1 2 338.333 3.629 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728196165 1014943265 /nfs/dbraw/zinc/94/32/65/1014943265.db2.gz RHNCBOLPSADBQK-LJQANCHMSA-N 1 2 338.426 3.787 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728196165 1014943273 /nfs/dbraw/zinc/94/32/73/1014943273.db2.gz RHNCBOLPSADBQK-LJQANCHMSA-N 1 2 338.426 3.787 20 30 EHEDLO COC(=O)c1ccc(N[NH+]=C(C)c2ccc(N)cc2Cl)c(OC)c1 ZINC000782908804 1016653927 /nfs/dbraw/zinc/65/39/27/1016653927.db2.gz WCDHHIOVJOVZLJ-UHFFFAOYSA-N 1 2 347.802 3.554 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000547826387 1016940915 /nfs/dbraw/zinc/94/09/15/1016940915.db2.gz QUNOAQZWAZXVRL-SFHVURJKSA-N 1 2 342.393 3.505 20 30 EHEDLO C#C[C@@H](C)OC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000780385573 1017033230 /nfs/dbraw/zinc/03/32/30/1017033230.db2.gz ROXORQDAAFBNQA-IUODEOHRSA-N 1 2 327.346 3.653 20 30 EHEDLO C=CCCCCCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000377040816 1017279004 /nfs/dbraw/zinc/27/90/04/1017279004.db2.gz FPTANLNWFBDYQL-KRWDZBQOSA-N 1 2 332.492 3.521 20 30 EHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(F)cc1OC(F)F ZINC000255088515 1017523513 /nfs/dbraw/zinc/52/35/13/1017523513.db2.gz GDENPNNPQXVNIF-ALCCZGGFSA-N 1 2 332.281 3.971 20 30 EHEDLO CSc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000348514337 1018036306 /nfs/dbraw/zinc/03/63/06/1018036306.db2.gz VAAQSNFSHSAEET-HXUWFJFHSA-N 1 2 337.492 3.791 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1F)Cc1ccc(OC)cc1 ZINC000614352939 1018746377 /nfs/dbraw/zinc/74/63/77/1018746377.db2.gz VBFMPJFIBKOPKX-UHFFFAOYSA-N 1 2 342.414 3.769 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)Cc1ccc(OC)cc1 ZINC000614352939 1018746388 /nfs/dbraw/zinc/74/63/88/1018746388.db2.gz VBFMPJFIBKOPKX-UHFFFAOYSA-N 1 2 342.414 3.769 20 30 EHEDLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(C#N)cc1C ZINC000614403903 1018982025 /nfs/dbraw/zinc/98/20/25/1018982025.db2.gz YWOYEYOKMUOHCJ-HXUWFJFHSA-N 1 2 336.435 3.993 20 30 EHEDLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(C#N)cc1C ZINC000614403903 1018982036 /nfs/dbraw/zinc/98/20/36/1018982036.db2.gz YWOYEYOKMUOHCJ-HXUWFJFHSA-N 1 2 336.435 3.993 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)c1 ZINC000513430156 1019655101 /nfs/dbraw/zinc/65/51/01/1019655101.db2.gz NCZSXLUSOVWCFO-OAQYLSRUSA-N 1 2 339.435 3.834 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)c1 ZINC000513430156 1019655112 /nfs/dbraw/zinc/65/51/12/1019655112.db2.gz NCZSXLUSOVWCFO-OAQYLSRUSA-N 1 2 339.435 3.834 20 30 EHEDLO COc1ccc2oc(C[N@@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)cc2c1 ZINC000897590801 1032862733 /nfs/dbraw/zinc/86/27/33/1032862733.db2.gz CBSYKPBUMNYIRG-NRFANRHFSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1ccc2oc(C[N@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)cc2c1 ZINC000897590801 1032862752 /nfs/dbraw/zinc/86/27/52/1032862752.db2.gz CBSYKPBUMNYIRG-NRFANRHFSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000157339923 1021208020 /nfs/dbraw/zinc/20/80/20/1021208020.db2.gz JEDQXGIVTBVQGJ-OAQYLSRUSA-N 1 2 329.403 3.841 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000439459277 1021446040 /nfs/dbraw/zinc/44/60/40/1021446040.db2.gz GFVQTZNTPNNUIG-HNNXBMFYSA-N 1 2 341.846 3.587 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)c1 ZINC000439459277 1021446052 /nfs/dbraw/zinc/44/60/52/1021446052.db2.gz GFVQTZNTPNNUIG-HNNXBMFYSA-N 1 2 341.846 3.587 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(Br)cc1 ZINC000894869810 1021541570 /nfs/dbraw/zinc/54/15/70/1021541570.db2.gz DQKIGXQTIDCYRK-QGZVFWFLSA-N 1 2 341.252 3.797 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnc(CC)s1)c1ccc(Br)cc1 ZINC000894870781 1021546429 /nfs/dbraw/zinc/54/64/29/1021546429.db2.gz PEAQLTHQVBGIFZ-AWEZNQCLSA-N 1 2 335.270 3.932 20 30 EHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000516822145 1021770185 /nfs/dbraw/zinc/77/01/85/1021770185.db2.gz KSVCPSCEMXVWGX-LBPRGKRZSA-N 1 2 344.509 3.730 20 30 EHEDLO N#Cc1csc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000516822145 1021770200 /nfs/dbraw/zinc/77/02/00/1021770200.db2.gz KSVCPSCEMXVWGX-LBPRGKRZSA-N 1 2 344.509 3.730 20 30 EHEDLO N#Cc1c(Br)cccc1NCCCNc1cccc[nH+]1 ZINC000439955118 1021855829 /nfs/dbraw/zinc/85/58/29/1021855829.db2.gz CJHVVTLGGSCAPW-UHFFFAOYSA-N 1 2 331.217 3.630 20 30 EHEDLO Clc1ccccc1C#CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000441251323 1022091162 /nfs/dbraw/zinc/09/11/62/1022091162.db2.gz HBENPWQCIUABSS-UHFFFAOYSA-N 1 2 326.827 3.630 20 30 EHEDLO C[C@H](C#N)C[N@H+](C)Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000891717209 1022448696 /nfs/dbraw/zinc/44/86/96/1022448696.db2.gz ZLSISMQRGJNMHZ-CYBMUJFWSA-N 1 2 340.377 3.871 20 30 EHEDLO C[C@H](C#N)C[N@@H+](C)Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000891717209 1022448700 /nfs/dbraw/zinc/44/87/00/1022448700.db2.gz ZLSISMQRGJNMHZ-CYBMUJFWSA-N 1 2 340.377 3.871 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000438194414 1022465046 /nfs/dbraw/zinc/46/50/46/1022465046.db2.gz XWZOENNUOOHMSU-HRAATJIYSA-N 1 2 336.435 3.837 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000438194414 1022465049 /nfs/dbraw/zinc/46/50/49/1022465049.db2.gz XWZOENNUOOHMSU-HRAATJIYSA-N 1 2 336.435 3.837 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCSCc3ccccc3)CCO2)c1 ZINC000430757885 1022659912 /nfs/dbraw/zinc/65/99/12/1022659912.db2.gz XQPSWQMAVKTVKF-FQEVSTJZSA-N 1 2 338.476 3.865 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCSCc3ccccc3)CCO2)c1 ZINC000430757885 1022659915 /nfs/dbraw/zinc/65/99/15/1022659915.db2.gz XQPSWQMAVKTVKF-FQEVSTJZSA-N 1 2 338.476 3.865 20 30 EHEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000330826733 1022682249 /nfs/dbraw/zinc/68/22/49/1022682249.db2.gz IVVNOLZMNJANAM-PRHODGIISA-N 1 2 346.645 3.867 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C2CCCC2)CC1 ZINC000610582485 1022792975 /nfs/dbraw/zinc/79/29/75/1022792975.db2.gz NXPGUNGZSNCNDX-LJQANCHMSA-N 1 2 326.440 3.675 20 30 EHEDLO Cc1csc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)n1 ZINC000184282646 1022799417 /nfs/dbraw/zinc/79/94/17/1022799417.db2.gz USIVARNHFGDHED-JTQLQIEISA-N 1 2 336.258 3.937 20 30 EHEDLO C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccc(C#N)cc1 ZINC000341658079 1022879185 /nfs/dbraw/zinc/87/91/85/1022879185.db2.gz MSNSQIYJKDUOCM-HNAYVOBHSA-N 1 2 344.418 3.681 20 30 EHEDLO C=CC(C)(C)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000458990281 1023013931 /nfs/dbraw/zinc/01/39/31/1023013931.db2.gz REVPHPLDNRKGML-MSOLQXFVSA-N 1 2 338.455 3.623 20 30 EHEDLO CC[N@@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C[C@H](C)C#N ZINC000091983282 1023196762 /nfs/dbraw/zinc/19/67/62/1023196762.db2.gz SKOJRXNLFUSJBE-OAHLLOKOSA-N 1 2 343.471 3.966 20 30 EHEDLO CC[N@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C[C@H](C)C#N ZINC000091983282 1023196763 /nfs/dbraw/zinc/19/67/63/1023196763.db2.gz SKOJRXNLFUSJBE-OAHLLOKOSA-N 1 2 343.471 3.966 20 30 EHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cccc(C#N)c2)c(C)c1 ZINC000441491719 1023221550 /nfs/dbraw/zinc/22/15/50/1023221550.db2.gz PANMVIJDZCSESX-FQEVSTJZSA-N 1 2 344.418 3.543 20 30 EHEDLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CC(=O)Nc1sccc1C#N ZINC000295624723 1023273359 /nfs/dbraw/zinc/27/33/59/1023273359.db2.gz FKAVERSSCONRSV-UMNHJUIQSA-N 1 2 345.390 3.610 20 30 EHEDLO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000295624723 1023273370 /nfs/dbraw/zinc/27/33/70/1023273370.db2.gz FKAVERSSCONRSV-UMNHJUIQSA-N 1 2 345.390 3.610 20 30 EHEDLO C=CCc1cc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)cc(OC)c1O ZINC000277061652 1023737452 /nfs/dbraw/zinc/73/74/52/1023737452.db2.gz BSCKQJPPZMADFP-QWHCGFSZSA-N 1 2 344.459 3.612 20 30 EHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000341998818 1023749654 /nfs/dbraw/zinc/74/96/54/1023749654.db2.gz VUSRHXIUNHMPHA-GFCCVEGCSA-N 1 2 328.334 3.564 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000063300714 1033181475 /nfs/dbraw/zinc/18/14/75/1033181475.db2.gz OZLITBJKTWRVSV-UHFFFAOYSA-N 1 2 337.379 3.663 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000063300714 1033181490 /nfs/dbraw/zinc/18/14/90/1033181490.db2.gz OZLITBJKTWRVSV-UHFFFAOYSA-N 1 2 337.379 3.663 20 30 EHEDLO Cc1cc(C)c(CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000895254782 1024130298 /nfs/dbraw/zinc/13/02/98/1024130298.db2.gz IABHUOIIQIWWIQ-UHFFFAOYSA-N 1 2 348.450 3.659 20 30 EHEDLO C[C@@H]1CCN(C([O-])=[NH+]c2nc(C(C)(C)C)cs2)C[C@H]1n1cc[nH+]c1 ZINC000329899508 1024241928 /nfs/dbraw/zinc/24/19/28/1024241928.db2.gz NBJZWHHIUYOVPX-CHWSQXEVSA-N 1 2 347.488 3.766 20 30 EHEDLO C[C@H]1CCN(C([O-])=[NH+]c2nc(C(C)(C)C)cs2)C[C@H]1n1cc[nH+]c1 ZINC000329899510 1024242471 /nfs/dbraw/zinc/24/24/71/1024242471.db2.gz NBJZWHHIUYOVPX-QWHCGFSZSA-N 1 2 347.488 3.766 20 30 EHEDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc2ncsc2c1 ZINC000330155644 1024336168 /nfs/dbraw/zinc/33/61/68/1024336168.db2.gz YJHUUMLDIKGIBP-AAEUAGOBSA-N 1 2 326.425 3.773 20 30 EHEDLO Cc1ccc2ncc(C#N)c(N3CCC(Nc4cccc[nH+]4)CC3)c2c1 ZINC000895349140 1024358413 /nfs/dbraw/zinc/35/84/13/1024358413.db2.gz JDDRLDNQWIMLRG-UHFFFAOYSA-N 1 2 343.434 3.891 20 30 EHEDLO O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330230221 1024365878 /nfs/dbraw/zinc/36/58/78/1024365878.db2.gz WKABICPDUUZYBC-KGLIPLIRSA-N 1 2 340.418 3.719 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000346146484 1024447111 /nfs/dbraw/zinc/44/71/11/1024447111.db2.gz BRBUSAFEFHCKLR-KBPBESRZSA-N 1 2 335.386 3.690 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000602865713 1033216206 /nfs/dbraw/zinc/21/62/06/1033216206.db2.gz XNVTVEOXQKZWFI-DTWKUNHWSA-N 1 2 333.741 3.578 20 30 EHEDLO Cc1c(C#N)c(NCc2nc(C[NH+](C)C)cs2)nc2ccccc12 ZINC000895480818 1024554605 /nfs/dbraw/zinc/55/46/05/1024554605.db2.gz MYICXWAKKVRBIH-UHFFFAOYSA-N 1 2 337.452 3.545 20 30 EHEDLO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000895639403 1024685138 /nfs/dbraw/zinc/68/51/38/1024685138.db2.gz KJKLMSZHFYPOQC-KRWDZBQOSA-N 1 2 326.371 3.709 20 30 EHEDLO Cc1c(C#N)cccc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000346374657 1024690567 /nfs/dbraw/zinc/69/05/67/1024690567.db2.gz UAOYVMAXQHGNIX-UHFFFAOYSA-N 1 2 327.347 3.769 20 30 EHEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)[C@@H](C)CN1Cc1ccccc1C#N ZINC000346436412 1024732651 /nfs/dbraw/zinc/73/26/51/1024732651.db2.gz QRAFQPYNEOCXHZ-ROUUACIJSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)[C@@H](C)CN1Cc1ccccc1C#N ZINC000346436412 1024732662 /nfs/dbraw/zinc/73/26/62/1024732662.db2.gz QRAFQPYNEOCXHZ-ROUUACIJSA-N 1 2 344.462 3.525 20 30 EHEDLO CCc1nc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC000602894339 1033247651 /nfs/dbraw/zinc/24/76/51/1033247651.db2.gz AILZEVUTBKGMMB-UHFFFAOYSA-N 1 2 326.469 3.654 20 30 EHEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cc(Cl)cc(Cl)c1 ZINC000071958145 1024956397 /nfs/dbraw/zinc/95/63/97/1024956397.db2.gz JYWDUHBOTIDGPW-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cc(Cl)cc(Cl)c1 ZINC000071958145 1024956406 /nfs/dbraw/zinc/95/64/06/1024956406.db2.gz JYWDUHBOTIDGPW-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO Clc1cccc(C#CC[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000582026562 1025048219 /nfs/dbraw/zinc/04/82/19/1025048219.db2.gz MZVYZOQWHAJVQR-UHFFFAOYSA-N 1 2 325.795 3.565 20 30 EHEDLO Clc1cccc(C#CC[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000582026562 1025048233 /nfs/dbraw/zinc/04/82/33/1025048233.db2.gz MZVYZOQWHAJVQR-UHFFFAOYSA-N 1 2 325.795 3.565 20 30 EHEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)s3)n2)c1 ZINC000237355158 1025058927 /nfs/dbraw/zinc/05/89/27/1025058927.db2.gz JULRFRJXUDBWMV-NSHDSACASA-N 1 2 340.408 3.529 20 30 EHEDLO CC[N@H+](CC(=O)N1CCC(CCC#N)CC1)Cc1ccccc1Cl ZINC000515301756 1025161841 /nfs/dbraw/zinc/16/18/41/1025161841.db2.gz SEWITSYRJQIDSN-UHFFFAOYSA-N 1 2 347.890 3.704 20 30 EHEDLO CC[N@@H+](CC(=O)N1CCC(CCC#N)CC1)Cc1ccccc1Cl ZINC000515301756 1025161848 /nfs/dbraw/zinc/16/18/48/1025161848.db2.gz SEWITSYRJQIDSN-UHFFFAOYSA-N 1 2 347.890 3.704 20 30 EHEDLO C=CCN(CC=C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442244714 1025224482 /nfs/dbraw/zinc/22/44/82/1025224482.db2.gz VDVXMIZKCSDPBP-IBGZPJMESA-N 1 2 338.455 3.625 20 30 EHEDLO N#Cc1cccc(C2(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)CC2)c1 ZINC000435944508 1025243057 /nfs/dbraw/zinc/24/30/57/1025243057.db2.gz GTODKGIIGAGFHG-UHFFFAOYSA-N 1 2 328.375 3.619 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1 ZINC000353896269 1025387413 /nfs/dbraw/zinc/38/74/13/1025387413.db2.gz FKECMIWYKIQXFC-LBPRGKRZSA-N 1 2 348.244 3.655 20 30 EHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nc1C ZINC000442771606 1025466905 /nfs/dbraw/zinc/46/69/05/1025466905.db2.gz UHAFUSZHRLNKLR-DGCLKSJQSA-N 1 2 343.452 3.912 20 30 EHEDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC000442804189 1025496010 /nfs/dbraw/zinc/49/60/10/1025496010.db2.gz VRCMAFYIVROBAF-IBGZPJMESA-N 1 2 342.826 3.794 20 30 EHEDLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC000442804189 1025496014 /nfs/dbraw/zinc/49/60/14/1025496014.db2.gz VRCMAFYIVROBAF-IBGZPJMESA-N 1 2 342.826 3.794 20 30 EHEDLO N#Cc1ccc(Br)cc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001141897258 1025552684 /nfs/dbraw/zinc/55/26/84/1025552684.db2.gz LPZCMEXTHOGGFC-RISCZKNCSA-N 1 2 341.199 3.798 20 30 EHEDLO N#Cc1ccc(Br)cc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001141897258 1025552688 /nfs/dbraw/zinc/55/26/88/1025552688.db2.gz LPZCMEXTHOGGFC-RISCZKNCSA-N 1 2 341.199 3.798 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000347174276 1025615718 /nfs/dbraw/zinc/61/57/18/1025615718.db2.gz CDTLMUYZOSZKJD-UHFFFAOYSA-N 1 2 348.315 3.736 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1C(=O)OC ZINC000505803221 1025663999 /nfs/dbraw/zinc/66/39/99/1025663999.db2.gz RLAJRBDQEQFPSR-UHFFFAOYSA-N 1 2 338.382 3.672 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1C(=O)OC ZINC000505803221 1025664004 /nfs/dbraw/zinc/66/40/04/1025664004.db2.gz RLAJRBDQEQFPSR-UHFFFAOYSA-N 1 2 338.382 3.672 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000515944714 1025786291 /nfs/dbraw/zinc/78/62/91/1025786291.db2.gz DHMNEEAHWRSMRA-FQEVSTJZSA-N 1 2 348.450 3.669 20 30 EHEDLO N#CC1(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 ZINC000329376255 1025792970 /nfs/dbraw/zinc/79/29/70/1025792970.db2.gz LHMSFYYEQXUPAV-HNNXBMFYSA-N 1 2 341.459 3.671 20 30 EHEDLO N#CC1(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 ZINC000329376255 1025792981 /nfs/dbraw/zinc/79/29/81/1025792981.db2.gz LHMSFYYEQXUPAV-HNNXBMFYSA-N 1 2 341.459 3.671 20 30 EHEDLO CCC[N@H+](Cc1nncn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000277574871 1026095083 /nfs/dbraw/zinc/09/50/83/1026095083.db2.gz BQKQYOPVIJZCLV-UHFFFAOYSA-N 1 2 331.423 3.551 20 30 EHEDLO CCC[N@@H+](Cc1nncn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000277574871 1026095102 /nfs/dbraw/zinc/09/51/02/1026095102.db2.gz BQKQYOPVIJZCLV-UHFFFAOYSA-N 1 2 331.423 3.551 20 30 EHEDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346196900 1026235660 /nfs/dbraw/zinc/23/56/60/1026235660.db2.gz PKGIMJYGAQDFDW-LRDDRELGSA-N 1 2 327.407 3.598 20 30 EHEDLO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000934473164 1026294565 /nfs/dbraw/zinc/29/45/65/1026294565.db2.gz UPYYBJQYUAZIAI-SECBINFHSA-N 1 2 340.246 3.711 20 30 EHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000934473164 1026294580 /nfs/dbraw/zinc/29/45/80/1026294580.db2.gz UPYYBJQYUAZIAI-SECBINFHSA-N 1 2 340.246 3.711 20 30 EHEDLO CC(C)c1cccc2c1CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000475398789 1026569683 /nfs/dbraw/zinc/56/96/83/1026569683.db2.gz OSVIWMFDORLMFO-UHFFFAOYSA-N 1 2 339.483 3.511 20 30 EHEDLO CC(C)c1cccc2c1CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C2 ZINC000475398789 1026569690 /nfs/dbraw/zinc/56/96/90/1026569690.db2.gz OSVIWMFDORLMFO-UHFFFAOYSA-N 1 2 339.483 3.511 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000046519016 1026981127 /nfs/dbraw/zinc/98/11/27/1026981127.db2.gz STDGDAOIAMDSDR-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000046519016 1026981133 /nfs/dbraw/zinc/98/11/33/1026981133.db2.gz STDGDAOIAMDSDR-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1cccs1 ZINC000076650718 1027308608 /nfs/dbraw/zinc/30/86/08/1027308608.db2.gz PHEDVHVHQOWKCO-UHFFFAOYSA-N 1 2 334.407 3.535 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1cccs1 ZINC000076650718 1027308622 /nfs/dbraw/zinc/30/86/22/1027308622.db2.gz PHEDVHVHQOWKCO-UHFFFAOYSA-N 1 2 334.407 3.535 20 30 EHEDLO CC[N@H+](Cc1nncn1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000277882164 1027598648 /nfs/dbraw/zinc/59/86/48/1027598648.db2.gz ZHUKTFXGKLAMME-INIZCTEOSA-N 1 2 331.423 3.722 20 30 EHEDLO CC[N@@H+](Cc1nncn1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000277882164 1027598657 /nfs/dbraw/zinc/59/86/57/1027598657.db2.gz ZHUKTFXGKLAMME-INIZCTEOSA-N 1 2 331.423 3.722 20 30 EHEDLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428362806 1027659723 /nfs/dbraw/zinc/65/97/23/1027659723.db2.gz JKXRUZUFCGWSGN-UHFFFAOYSA-N 1 2 340.398 3.653 20 30 EHEDLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428362806 1027659733 /nfs/dbraw/zinc/65/97/33/1027659733.db2.gz JKXRUZUFCGWSGN-UHFFFAOYSA-N 1 2 340.398 3.653 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@H+](CCC#N)CC2CC2)o1 ZINC000132308397 1027909708 /nfs/dbraw/zinc/90/97/08/1027909708.db2.gz REQDBGSYOFQNOH-UHFFFAOYSA-N 1 2 338.407 3.859 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@@H+](CCC#N)CC2CC2)o1 ZINC000132308397 1027909730 /nfs/dbraw/zinc/90/97/30/1027909730.db2.gz REQDBGSYOFQNOH-UHFFFAOYSA-N 1 2 338.407 3.859 20 30 EHEDLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502515659 1028306792 /nfs/dbraw/zinc/30/67/92/1028306792.db2.gz KSIDKBGXVWUTIB-OAQYLSRUSA-N 1 2 346.430 3.952 20 30 EHEDLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502515659 1028306798 /nfs/dbraw/zinc/30/67/98/1028306798.db2.gz KSIDKBGXVWUTIB-OAQYLSRUSA-N 1 2 346.430 3.952 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cc3ccccc3o2)c1C#N ZINC000535963633 1029248613 /nfs/dbraw/zinc/24/86/13/1029248613.db2.gz LMONPFKUJKESEX-UHFFFAOYSA-N 1 2 334.375 3.723 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cc3ccccc3o2)c1C#N ZINC000535963633 1029248631 /nfs/dbraw/zinc/24/86/31/1029248631.db2.gz LMONPFKUJKESEX-UHFFFAOYSA-N 1 2 334.375 3.723 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000505282514 1029437233 /nfs/dbraw/zinc/43/72/33/1029437233.db2.gz APWUPEOGYJMYFQ-FNEOHHHZSA-N 1 2 335.426 3.721 20 30 EHEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(C)(C#N)CC1 ZINC000272476349 1029474208 /nfs/dbraw/zinc/47/42/08/1029474208.db2.gz NXWCVDVGPQPUJA-UHFFFAOYSA-N 1 2 337.423 3.850 20 30 EHEDLO C=CC[N@H+](Cc1cccc(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361502 1029488358 /nfs/dbraw/zinc/48/83/58/1029488358.db2.gz SPXNQAOWRNXJCB-HXUWFJFHSA-N 1 2 341.476 3.529 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361502 1029488364 /nfs/dbraw/zinc/48/83/64/1029488364.db2.gz SPXNQAOWRNXJCB-HXUWFJFHSA-N 1 2 341.476 3.529 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CC2)nc1-c1ccco1 ZINC000728562302 1029623427 /nfs/dbraw/zinc/62/34/27/1029623427.db2.gz LEMCMBIDMOBVSJ-AWEZNQCLSA-N 1 2 330.457 3.692 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CC2)nc1-c1ccco1 ZINC000728562302 1029623431 /nfs/dbraw/zinc/62/34/31/1029623431.db2.gz LEMCMBIDMOBVSJ-AWEZNQCLSA-N 1 2 330.457 3.692 20 30 EHEDLO CC(C)(C#N)c1ccccc1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000536021834 1029824767 /nfs/dbraw/zinc/82/47/67/1029824767.db2.gz VQSDQYZMYRXSTK-UHFFFAOYSA-N 1 2 339.508 3.867 20 30 EHEDLO N#CCc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000455707420 1029855067 /nfs/dbraw/zinc/85/50/67/1029855067.db2.gz RGIOHVJPRFBUMH-UHFFFAOYSA-N 1 2 343.818 3.541 20 30 EHEDLO N#CCc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000455707420 1029855072 /nfs/dbraw/zinc/85/50/72/1029855072.db2.gz RGIOHVJPRFBUMH-UHFFFAOYSA-N 1 2 343.818 3.541 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000481987094 1030149842 /nfs/dbraw/zinc/14/98/42/1030149842.db2.gz ACBFDYMHVPJUGR-AWEZNQCLSA-N 1 2 338.407 3.857 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)o1 ZINC000481987094 1030149849 /nfs/dbraw/zinc/14/98/49/1030149849.db2.gz ACBFDYMHVPJUGR-AWEZNQCLSA-N 1 2 338.407 3.857 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246109036 1030349105 /nfs/dbraw/zinc/34/91/05/1030349105.db2.gz JOCYZZFMROMEPS-HZPDHXFCSA-N 1 2 349.887 3.510 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246109036 1030349120 /nfs/dbraw/zinc/34/91/20/1030349120.db2.gz JOCYZZFMROMEPS-HZPDHXFCSA-N 1 2 349.887 3.510 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000482897352 1030799747 /nfs/dbraw/zinc/79/97/47/1030799747.db2.gz YQAUEEXUXINRKY-IBGZPJMESA-N 1 2 337.398 3.863 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000482897352 1030799762 /nfs/dbraw/zinc/79/97/62/1030799762.db2.gz YQAUEEXUXINRKY-IBGZPJMESA-N 1 2 337.398 3.863 20 30 EHEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000483518359 1031205550 /nfs/dbraw/zinc/20/55/50/1031205550.db2.gz IAGYVWLOCSQPAU-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C3/COc4c(F)ccc(F)c4C3=O)n21 ZINC000783712662 1031849330 /nfs/dbraw/zinc/84/93/30/1031849330.db2.gz WGBGSBCQPWYGCP-XFFZJAGNSA-N 1 2 326.302 3.580 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2cccc(C(=O)OC)c2)n1)C1CC1 ZINC000537855283 1031984164 /nfs/dbraw/zinc/98/41/64/1031984164.db2.gz YKLIPERODOKHDU-UHFFFAOYSA-N 1 2 328.437 3.747 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2cccc(C(=O)OC)c2)n1)C1CC1 ZINC000537855283 1031984172 /nfs/dbraw/zinc/98/41/72/1031984172.db2.gz YKLIPERODOKHDU-UHFFFAOYSA-N 1 2 328.437 3.747 20 30 EHEDLO Cc1cccn2cc(CC(=O)N(c3ccc(C#N)cc3)C3CCC3)[nH+]c12 ZINC000598886129 1033560879 /nfs/dbraw/zinc/56/08/79/1033560879.db2.gz CWOPBGKWEITQEN-UHFFFAOYSA-N 1 2 344.418 3.643 20 30 EHEDLO N#CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000574914152 1033679065 /nfs/dbraw/zinc/67/90/65/1033679065.db2.gz AIKKMRLCRWQRBY-UHFFFAOYSA-N 1 2 340.254 3.948 20 30 EHEDLO N#Cc1ccc(CC[NH2+]c2ccc3c(c2)C2(CN3)CCOCC2)cc1 ZINC001167678989 1033775308 /nfs/dbraw/zinc/77/53/08/1033775308.db2.gz GYUAJIUSOGUTEM-UHFFFAOYSA-N 1 2 333.435 3.687 20 30 EHEDLO C[N@@H+]1CC[C@H](N[C@H](C#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595475338 1033824167 /nfs/dbraw/zinc/82/41/67/1033824167.db2.gz IISXPOXZYTUQMP-OTWHNJEPSA-N 1 2 327.378 3.564 20 30 EHEDLO C[N@H+]1CC[C@H](N[C@H](C#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595475338 1033824183 /nfs/dbraw/zinc/82/41/83/1033824183.db2.gz IISXPOXZYTUQMP-OTWHNJEPSA-N 1 2 327.378 3.564 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450226030 1033908694 /nfs/dbraw/zinc/90/86/94/1033908694.db2.gz JBXQYORTVMHXAI-UHFFFAOYSA-N 1 2 329.465 3.668 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450226030 1033908702 /nfs/dbraw/zinc/90/87/02/1033908702.db2.gz JBXQYORTVMHXAI-UHFFFAOYSA-N 1 2 329.465 3.668 20 30 EHEDLO C[C@@H](C#N)C[N@H+](CC1=Cc2cc(Br)ccc2OC1)C1CC1 ZINC000537621765 1034223921 /nfs/dbraw/zinc/22/39/21/1034223921.db2.gz GOUJYSZOOUEJEI-LBPRGKRZSA-N 1 2 347.256 3.849 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C1CC1 ZINC000537621765 1034223936 /nfs/dbraw/zinc/22/39/36/1034223936.db2.gz GOUJYSZOOUEJEI-LBPRGKRZSA-N 1 2 347.256 3.849 20 30 EHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000255758664 1034345421 /nfs/dbraw/zinc/34/54/21/1034345421.db2.gz YGFLSFMYRHAFFF-FPLPWBNLSA-N 1 2 327.181 3.993 20 30 EHEDLO N#CC1(c2ccc(C[NH2+]Cc3nc(-c4ccccc4)no3)cc2)CC1 ZINC000597086174 1034537795 /nfs/dbraw/zinc/53/77/95/1034537795.db2.gz IUSHPSUGNNUAHX-UHFFFAOYSA-N 1 2 330.391 3.582 20 30 EHEDLO CCCCn1c(S[C@@H]2CC[C@@H](C#N)C2)nnc1[C@H](CC)[NH+](C)C ZINC000450586073 1034550006 /nfs/dbraw/zinc/55/00/06/1034550006.db2.gz BCANDZQYOQDROI-KFWWJZLASA-N 1 2 335.521 3.875 20 30 EHEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000597182476 1034586783 /nfs/dbraw/zinc/58/67/83/1034586783.db2.gz BWDXWBMJBRGKBB-UHFFFAOYSA-N 1 2 344.509 3.666 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3ccn(CCc4ccccc4)n3)CC2)c1 ZINC000450670291 1034673896 /nfs/dbraw/zinc/67/38/96/1034673896.db2.gz FHUMOUNKSMBGQW-UHFFFAOYSA-N 1 2 342.446 3.776 20 30 EHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CC1(C#N)CCCCC1 ZINC000597563016 1034821136 /nfs/dbraw/zinc/82/11/36/1034821136.db2.gz IBZZRHRXAHXRQZ-UHFFFAOYSA-N 1 2 330.476 3.548 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406925 1034897110 /nfs/dbraw/zinc/89/71/10/1034897110.db2.gz XFIAXMQKCIQKRI-IBGZPJMESA-N 1 2 326.419 3.754 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406925 1034897123 /nfs/dbraw/zinc/89/71/23/1034897123.db2.gz XFIAXMQKCIQKRI-IBGZPJMESA-N 1 2 326.419 3.754 20 30 EHEDLO COc1cc(OC)c2ncc(C#N)c(NCc3c[nH+]c(C)cc3C)c2c1 ZINC000450903487 1034925788 /nfs/dbraw/zinc/92/57/88/1034925788.db2.gz CVRQLDFURUICLF-UHFFFAOYSA-N 1 2 348.406 3.748 20 30 EHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCCCCC#N ZINC000588622818 1035919403 /nfs/dbraw/zinc/91/94/03/1035919403.db2.gz ZOOQOOXJYLUTPB-UHFFFAOYSA-N 1 2 342.487 3.621 20 30 EHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000541281159 1036136296 /nfs/dbraw/zinc/13/62/96/1036136296.db2.gz CQFWMHFSWHVWHN-QGZVFWFLSA-N 1 2 337.442 3.771 20 30 EHEDLO CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1cccc(C#N)c1O ZINC000925267335 1036506623 /nfs/dbraw/zinc/50/66/23/1036506623.db2.gz DIUMEXSQUFHYOZ-BPAFIMBUSA-N 1 2 338.451 3.859 20 30 EHEDLO N#Cc1ccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1Cl ZINC000589949369 1036674463 /nfs/dbraw/zinc/67/44/63/1036674463.db2.gz PLXDXIWIAQEARB-INIZCTEOSA-N 1 2 329.835 3.741 20 30 EHEDLO CCOC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC(C#N)CC1 ZINC000057906778 1037252455 /nfs/dbraw/zinc/25/24/55/1037252455.db2.gz TXFRYOXCCPJUOB-UHFFFAOYSA-N 1 2 346.427 3.953 20 30 EHEDLO COc1cc(F)c(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1OC ZINC000760262742 1037422216 /nfs/dbraw/zinc/42/22/16/1037422216.db2.gz CHRGUTAKYPYOJC-VOTSOKGWSA-N 1 2 340.354 3.695 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](CCCC#N)c3ccccc3)ccn12 ZINC000573623693 1037665956 /nfs/dbraw/zinc/66/59/56/1037665956.db2.gz JSRZDHDTSKRMHP-GOSISDBHSA-N 1 2 332.407 3.808 20 30 EHEDLO N#Cc1ccc(Oc2cccc(NC(=O)CCCn3cc[nH+]c3)c2)cc1 ZINC000609176370 1037974754 /nfs/dbraw/zinc/97/47/54/1037974754.db2.gz IOKYRZNWAZCKSI-UHFFFAOYSA-N 1 2 346.390 3.966 20 30 EHEDLO C=CCC(CC=C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000124579311 1038206508 /nfs/dbraw/zinc/20/65/08/1038206508.db2.gz ZEPJZAZWZGKWDG-UHFFFAOYSA-N 1 2 339.439 3.805 20 30 EHEDLO N#C[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1 ZINC000181111372 1038340390 /nfs/dbraw/zinc/34/03/90/1038340390.db2.gz NLVFSQQFMZSOII-INIZCTEOSA-N 1 2 349.365 3.551 20 30 EHEDLO CO[C@@H](C)c1nc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cs1 ZINC000363899776 1038838017 /nfs/dbraw/zinc/83/80/17/1038838017.db2.gz XZYXJJZVSBHWQR-UQHVZDHRSA-N 1 2 327.453 3.564 20 30 EHEDLO N#Cc1cccc(Oc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)c1 ZINC000066840767 1039577582 /nfs/dbraw/zinc/57/75/82/1039577582.db2.gz LCCHEJKZWDEDCD-UHFFFAOYSA-N 1 2 332.363 3.576 20 30 EHEDLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000007878731 1039730777 /nfs/dbraw/zinc/73/07/77/1039730777.db2.gz ADWBJGPZVHNBLZ-NSHDSACASA-N 1 2 345.855 3.831 20 30 EHEDLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000007878731 1039730793 /nfs/dbraw/zinc/73/07/93/1039730793.db2.gz ADWBJGPZVHNBLZ-NSHDSACASA-N 1 2 345.855 3.831 20 30 EHEDLO COc1ccc(Br)cc1C[N@H+](CCC#N)CC(C)C ZINC000044295973 1040164596 /nfs/dbraw/zinc/16/45/96/1040164596.db2.gz IATRJQBQXXUONA-UHFFFAOYSA-N 1 2 325.250 3.829 20 30 EHEDLO COc1ccc(Br)cc1C[N@@H+](CCC#N)CC(C)C ZINC000044295973 1040164600 /nfs/dbraw/zinc/16/46/00/1040164600.db2.gz IATRJQBQXXUONA-UHFFFAOYSA-N 1 2 325.250 3.829 20 30 EHEDLO CC(C)(C#N)c1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000614182112 1040387667 /nfs/dbraw/zinc/38/76/67/1040387667.db2.gz CBVVXUBCIFWKIT-QGZVFWFLSA-N 1 2 330.378 3.589 20 30 EHEDLO C=CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000660356369 1040707235 /nfs/dbraw/zinc/70/72/35/1040707235.db2.gz FSSMISOVXKLXPS-KRWDZBQOSA-N 1 2 342.487 3.570 20 30 EHEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000029593705 1040744658 /nfs/dbraw/zinc/74/46/58/1040744658.db2.gz ZHKGJNAJMQOGJA-UHFFFAOYSA-N 1 2 343.833 3.981 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3\COc4c(F)cc(F)cc4C3=O)n2c1 ZINC000178767832 1040928701 /nfs/dbraw/zinc/92/87/01/1040928701.db2.gz UHOOQEVYGPMRPX-NYYWCZLTSA-N 1 2 326.302 3.580 20 30 EHEDLO Cc1cc(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)cc[nH+]1 ZINC000500303570 1040990472 /nfs/dbraw/zinc/99/04/72/1040990472.db2.gz OCWYFECXBMJMDJ-UHFFFAOYSA-N 1 2 347.349 3.867 20 30 EHEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000570941034 1041119661 /nfs/dbraw/zinc/11/96/61/1041119661.db2.gz ZHNPNYDQCKXYRY-GXSJLCMTSA-N 1 2 347.768 3.968 20 30 EHEDLO C=CCCc1ccccc1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000500380603 1041288073 /nfs/dbraw/zinc/28/80/73/1041288073.db2.gz KNVLDCSPPRVQMR-SJLPKXTDSA-N 1 2 335.451 3.911 20 30 EHEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872485 1042566340 /nfs/dbraw/zinc/56/63/40/1042566340.db2.gz VBMPEYQNELYJRJ-ROUUACIJSA-N 1 2 338.407 3.728 20 30 EHEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872485 1042566344 /nfs/dbraw/zinc/56/63/44/1042566344.db2.gz VBMPEYQNELYJRJ-ROUUACIJSA-N 1 2 338.407 3.728 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000279025014 1043214157 /nfs/dbraw/zinc/21/41/57/1043214157.db2.gz WDNOAQVPPSRAOB-MNOVXSKESA-N 1 2 349.422 3.626 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)o3)CC2)c(F)c1 ZINC000348864029 1043686137 /nfs/dbraw/zinc/68/61/37/1043686137.db2.gz APLQOTRKDPGSKG-UHFFFAOYSA-N 1 2 334.778 3.987 20 30 EHEDLO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cn(-c2ccccc2)nn1 ZINC000185470610 1126903247 /nfs/dbraw/zinc/90/32/47/1126903247.db2.gz YPIJYDMVBUTPRE-HNNXBMFYSA-N 1 2 336.826 3.623 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000764970875 1127558441 /nfs/dbraw/zinc/55/84/41/1127558441.db2.gz HNIDRCJKYFUYPY-INIZCTEOSA-N 1 2 343.500 3.884 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000764970875 1127558443 /nfs/dbraw/zinc/55/84/43/1127558443.db2.gz HNIDRCJKYFUYPY-INIZCTEOSA-N 1 2 343.500 3.884 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301210453 1128579248 /nfs/dbraw/zinc/57/92/48/1128579248.db2.gz USGICHVCHCNDTG-IBGZPJMESA-N 1 2 341.842 3.697 20 30 EHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000301547616 1128595773 /nfs/dbraw/zinc/59/57/73/1128595773.db2.gz LMIZAHBFAZVSRW-LJQANCHMSA-N 1 2 342.393 3.505 20 30 EHEDLO C=CC[N@@H+](C)CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000494652386 1120708881 /nfs/dbraw/zinc/70/88/81/1120708881.db2.gz XCEHUHUAFFEOMJ-UHFFFAOYSA-N 1 2 329.469 3.792 20 30 EHEDLO C=CC[N@H+](C)CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000494652386 1120708885 /nfs/dbraw/zinc/70/88/85/1120708885.db2.gz XCEHUHUAFFEOMJ-UHFFFAOYSA-N 1 2 329.469 3.792 20 30 EHEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000781084555 1120999711 /nfs/dbraw/zinc/99/97/11/1120999711.db2.gz RLEDLMAMEOQCFK-MRXNPFEDSA-N 1 2 328.416 3.986 20 30 EHEDLO C=CCN(Cc1ccccc1F)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000524201383 1121285579 /nfs/dbraw/zinc/28/55/79/1121285579.db2.gz LPZADNHDZWHZBX-UHFFFAOYSA-N 1 2 337.398 3.539 20 30 EHEDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000282133132 1121899344 /nfs/dbraw/zinc/89/93/44/1121899344.db2.gz BMTNNYSPSLWUBR-LJQANCHMSA-N 1 2 346.434 3.791 20 30 EHEDLO COc1cc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000282133132 1121899349 /nfs/dbraw/zinc/89/93/49/1121899349.db2.gz BMTNNYSPSLWUBR-LJQANCHMSA-N 1 2 346.434 3.791 20 30 EHEDLO C(=NNCc1cccc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915959902 1121993283 /nfs/dbraw/zinc/99/32/83/1121993283.db2.gz UIBHHIJAVRZURC-UHFFFAOYSA-N 1 2 327.391 3.544 20 30 EHEDLO C[C@H](c1nnc(S[C@@H](C)C#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000032875831 1122177953 /nfs/dbraw/zinc/17/79/53/1122177953.db2.gz VCGQOMMDNLPRNO-LSDHHAIUSA-N 1 2 341.484 3.818 20 30 EHEDLO CC(C)C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917096975 1122497546 /nfs/dbraw/zinc/49/75/46/1122497546.db2.gz OCFOKAKYCHJVFY-CQSZACIVSA-N 1 2 327.453 3.593 20 30 EHEDLO CC(C)C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917096975 1122497547 /nfs/dbraw/zinc/49/75/47/1122497547.db2.gz OCFOKAKYCHJVFY-CQSZACIVSA-N 1 2 327.453 3.593 20 30 EHEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000497473639 1122559775 /nfs/dbraw/zinc/55/97/75/1122559775.db2.gz LSLSVPFZGTYTGG-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000497473639 1122559779 /nfs/dbraw/zinc/55/97/79/1122559779.db2.gz LSLSVPFZGTYTGG-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1OC ZINC000556967520 1123243298 /nfs/dbraw/zinc/24/32/98/1123243298.db2.gz NOQNRKMTKWXSIT-NHCUHLMSSA-N 1 2 343.467 3.794 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1OC ZINC000556967520 1123243300 /nfs/dbraw/zinc/24/33/00/1123243300.db2.gz NOQNRKMTKWXSIT-NHCUHLMSSA-N 1 2 343.467 3.794 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2ncc(-c3ccc(F)cc3)o2)ccc1F ZINC000920401264 1123363830 /nfs/dbraw/zinc/36/38/30/1123363830.db2.gz ILINPFNLNFXSKM-UHFFFAOYSA-N 1 2 343.333 3.765 20 30 EHEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000610132271 1123739330 /nfs/dbraw/zinc/73/93/30/1123739330.db2.gz LFSFRPDRQQJSBS-UHFFFAOYSA-N 1 2 348.805 3.870 20 30 EHEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000610132271 1123739333 /nfs/dbraw/zinc/73/93/33/1123739333.db2.gz LFSFRPDRQQJSBS-UHFFFAOYSA-N 1 2 348.805 3.870 20 30 EHEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000428847099 1129158970 /nfs/dbraw/zinc/15/89/70/1129158970.db2.gz SONQIXUAFUNSEJ-UHFFFAOYSA-N 1 2 326.227 3.724 20 30 EHEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000428847099 1129158975 /nfs/dbraw/zinc/15/89/75/1129158975.db2.gz SONQIXUAFUNSEJ-UHFFFAOYSA-N 1 2 326.227 3.724 20 30 EHEDLO CC(C)(C)c1coc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000922294557 1129447355 /nfs/dbraw/zinc/44/73/55/1129447355.db2.gz RMFRSHBWDAHORF-UHFFFAOYSA-N 1 2 339.439 3.639 20 30 EHEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000018936144 1129547901 /nfs/dbraw/zinc/54/79/01/1129547901.db2.gz MVSVDQBPYJRKPK-UHFFFAOYSA-N 1 2 333.844 3.734 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000018936144 1129547903 /nfs/dbraw/zinc/54/79/03/1129547903.db2.gz MVSVDQBPYJRKPK-UHFFFAOYSA-N 1 2 333.844 3.734 20 30 EHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000428949482 1129631426 /nfs/dbraw/zinc/63/14/26/1129631426.db2.gz BBNBOCMBJKQWGZ-UHFFFAOYSA-N 1 2 335.426 3.724 20 30 EHEDLO C=CCN(Cc1ccccc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673780799 1129842942 /nfs/dbraw/zinc/84/29/42/1129842942.db2.gz BZXXXWJIFDOILW-UHFFFAOYSA-N 1 2 348.450 3.583 20 30 EHEDLO CCOC(=O)c1sc(SC)c(C#N)c1Nc1ccc(NC)[nH+]c1 ZINC001203448745 1129927544 /nfs/dbraw/zinc/92/75/44/1129927544.db2.gz ICJZYVXRKZJOSY-UHFFFAOYSA-N 1 2 348.453 3.699 20 30 EHEDLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cc3)n2)ccc1F ZINC000543544313 1129956283 /nfs/dbraw/zinc/95/62/83/1129956283.db2.gz KGJYPIGEQJSGBH-ZDUSSCGKSA-N 1 2 336.370 3.907 20 30 EHEDLO N#CCOc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000731211827 1130776598 /nfs/dbraw/zinc/77/65/98/1130776598.db2.gz CZOVZQPSAHQSOO-GOSISDBHSA-N 1 2 335.432 3.925 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCCCC[C@@H]2C)c1=S ZINC000738227073 1131464107 /nfs/dbraw/zinc/46/41/07/1131464107.db2.gz QLDWAKDEGBVEFK-HNNXBMFYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCCCC[C@@H]2C)c1=S ZINC000738227073 1131464109 /nfs/dbraw/zinc/46/41/09/1131464109.db2.gz QLDWAKDEGBVEFK-HNNXBMFYSA-N 1 2 343.500 3.884 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](CC)c2ccc(F)cc2F)c1 ZINC000738302891 1131467312 /nfs/dbraw/zinc/46/73/12/1131467312.db2.gz AXABJJACTACETD-LJQANCHMSA-N 1 2 342.389 3.968 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](CC)c2ccc(F)cc2F)c1 ZINC000738302891 1131467313 /nfs/dbraw/zinc/46/73/13/1131467313.db2.gz AXABJJACTACETD-LJQANCHMSA-N 1 2 342.389 3.968 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000739914811 1131516851 /nfs/dbraw/zinc/51/68/51/1131516851.db2.gz LDKGGGLZPIQHSC-SFHVURJKSA-N 1 2 342.826 3.600 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000739914811 1131516856 /nfs/dbraw/zinc/51/68/56/1131516856.db2.gz LDKGGGLZPIQHSC-SFHVURJKSA-N 1 2 342.826 3.600 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc2c(c1)OCO2 ZINC000737445155 1131642000 /nfs/dbraw/zinc/64/20/00/1131642000.db2.gz YRLVTCWKSHQHKC-ARJAWSKDSA-N 1 2 326.739 3.613 20 30 EHEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CCCC1 ZINC000746387177 1132506269 /nfs/dbraw/zinc/50/62/69/1132506269.db2.gz GWJAXYIMEXUVAA-CQSZACIVSA-N 1 2 327.453 3.595 20 30 EHEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CCCC1 ZINC000746387177 1132506275 /nfs/dbraw/zinc/50/62/75/1132506275.db2.gz GWJAXYIMEXUVAA-CQSZACIVSA-N 1 2 327.453 3.595 20 30 EHEDLO CC[N@H+](CCc1ccccn1)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000773433114 1132514130 /nfs/dbraw/zinc/51/41/30/1132514130.db2.gz YMXPVBINBKJFBC-UHFFFAOYSA-N 1 2 345.450 3.512 20 30 EHEDLO CC[N@@H+](CCc1ccccn1)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000773433114 1132514136 /nfs/dbraw/zinc/51/41/36/1132514136.db2.gz YMXPVBINBKJFBC-UHFFFAOYSA-N 1 2 345.450 3.512 20 30 EHEDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001169262480 1132704647 /nfs/dbraw/zinc/70/46/47/1132704647.db2.gz YCTWSYQUGBKOJK-UHFFFAOYSA-N 1 2 333.750 3.891 20 30 EHEDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001169262480 1132704652 /nfs/dbraw/zinc/70/46/52/1132704652.db2.gz YCTWSYQUGBKOJK-UHFFFAOYSA-N 1 2 333.750 3.891 20 30 EHEDLO N#Cc1ncc(Nc2ccc[nH+]c2N2CCCC2)cc1C(F)(F)F ZINC001176750178 1132993254 /nfs/dbraw/zinc/99/32/54/1132993254.db2.gz SKKFXOYEGZFHPC-UHFFFAOYSA-N 1 2 333.317 3.711 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC2(C#N)CCCCC2)[C@@H]2C[C@@H]21 ZINC001176751600 1132996491 /nfs/dbraw/zinc/99/64/91/1132996491.db2.gz BLDKPRQAUYRGFK-CVEARBPZSA-N 1 2 333.476 3.544 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]2C[C@@H]21 ZINC001176751600 1132996494 /nfs/dbraw/zinc/99/64/94/1132996494.db2.gz BLDKPRQAUYRGFK-CVEARBPZSA-N 1 2 333.476 3.544 20 30 EHEDLO NC(=[NH+]OCCc1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000767932980 1133072342 /nfs/dbraw/zinc/07/23/42/1133072342.db2.gz GWRRGUAEGQAIMI-UHFFFAOYSA-N 1 2 347.418 3.540 20 30 EHEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000768427711 1133137282 /nfs/dbraw/zinc/13/72/82/1133137282.db2.gz YSQMNXNEZCXYQF-NRFANRHFSA-N 1 2 339.410 3.801 20 30 EHEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000768427711 1133137285 /nfs/dbraw/zinc/13/72/85/1133137285.db2.gz YSQMNXNEZCXYQF-NRFANRHFSA-N 1 2 339.410 3.801 20 30 EHEDLO C[C@@H](C(=O)OCCCCC(C)(C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000768718080 1133171782 /nfs/dbraw/zinc/17/17/82/1133171782.db2.gz RKPQKUKIPOJQGM-INIZCTEOSA-N 1 2 328.456 3.696 20 30 EHEDLO C[C@@H](C(=O)OCCCCC(C)(C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000768718080 1133171785 /nfs/dbraw/zinc/17/17/85/1133171785.db2.gz RKPQKUKIPOJQGM-INIZCTEOSA-N 1 2 328.456 3.696 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)NCC(C)(C)S)c1ccccc1Cl ZINC001182223827 1133598771 /nfs/dbraw/zinc/59/87/71/1133598771.db2.gz LROCFKXQQUWCTM-AWEZNQCLSA-N 1 2 328.909 3.548 20 30 EHEDLO C[N@H+](Cc1ccccc1)[C@H](C(=O)NC1=CC(=O)CCC1)c1ccccc1 ZINC001182242692 1133606502 /nfs/dbraw/zinc/60/65/02/1133606502.db2.gz BOYYKKKXKWDXIE-NRFANRHFSA-N 1 2 348.446 3.613 20 30 EHEDLO C[N@@H+](Cc1ccccc1)[C@H](C(=O)NC1=CC(=O)CCC1)c1ccccc1 ZINC001182242692 1133606504 /nfs/dbraw/zinc/60/65/04/1133606504.db2.gz BOYYKKKXKWDXIE-NRFANRHFSA-N 1 2 348.446 3.613 20 30 EHEDLO N#CCOc1ccccc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001212598419 1133724968 /nfs/dbraw/zinc/72/49/68/1133724968.db2.gz UHOZNPTUUNXKRX-UHFFFAOYSA-N 1 2 343.184 3.743 20 30 EHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001170051210 1133762755 /nfs/dbraw/zinc/76/27/55/1133762755.db2.gz HCZXHUJDLYXYKD-QGZVFWFLSA-N 1 2 348.874 3.681 20 30 EHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001170051210 1133762760 /nfs/dbraw/zinc/76/27/60/1133762760.db2.gz HCZXHUJDLYXYKD-QGZVFWFLSA-N 1 2 348.874 3.681 20 30 EHEDLO C[C@@H]1CCCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183830094 1133861882 /nfs/dbraw/zinc/86/18/82/1133861882.db2.gz ZZIGADMPGRHOEU-XLIONFOSSA-N 1 2 339.483 3.561 20 30 EHEDLO C[C@@H]1CCCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183830094 1133861888 /nfs/dbraw/zinc/86/18/88/1133861888.db2.gz ZZIGADMPGRHOEU-XLIONFOSSA-N 1 2 339.483 3.561 20 30 EHEDLO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000789449613 1134276161 /nfs/dbraw/zinc/27/61/61/1134276161.db2.gz IAIANINAKPHHBJ-QPSCCSFWSA-N 1 2 341.480 3.839 20 30 EHEDLO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000789449613 1134276165 /nfs/dbraw/zinc/27/61/65/1134276165.db2.gz IAIANINAKPHHBJ-QPSCCSFWSA-N 1 2 341.480 3.839 20 30 EHEDLO N#CCc1cc[nH+]c(NCc2cnn(Cc3ccccc3)c2Cl)c1 ZINC000789881873 1134340895 /nfs/dbraw/zinc/34/08/95/1134340895.db2.gz UWQJZUAQAXPZEU-UHFFFAOYSA-N 1 2 337.814 3.658 20 30 EHEDLO N#Cc1oc2ccccc2c1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190075585 1134658125 /nfs/dbraw/zinc/65/81/25/1134658125.db2.gz YVRLPRSWXRHQLZ-UHFFFAOYSA-N 1 2 328.331 3.742 20 30 EHEDLO C#CC[C@H]([NH2+]Cc1nc2sc(C)c(C)c2c(N)n1)c1ccccc1 ZINC000775405368 1134735989 /nfs/dbraw/zinc/73/59/89/1134735989.db2.gz VOUPHOHVENEBAB-HNNXBMFYSA-N 1 2 336.464 3.745 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000792939191 1134821292 /nfs/dbraw/zinc/82/12/92/1134821292.db2.gz FXLWMXQUJFHTHN-FQEVSTJZSA-N 1 2 332.403 3.562 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC=C(c2ccccc2)C1 ZINC000792939191 1134821306 /nfs/dbraw/zinc/82/13/06/1134821306.db2.gz FXLWMXQUJFHTHN-FQEVSTJZSA-N 1 2 332.403 3.562 20 30 EHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000793165807 1134858844 /nfs/dbraw/zinc/85/88/44/1134858844.db2.gz CCCPACRNBYNEAC-ZWKOTPCHSA-N 1 2 338.455 3.502 20 30 EHEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001191779715 1134921158 /nfs/dbraw/zinc/92/11/58/1134921158.db2.gz BKUWNTLFRYMLSO-UHFFFAOYSA-N 1 2 349.768 3.560 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001191779715 1134921165 /nfs/dbraw/zinc/92/11/65/1134921165.db2.gz BKUWNTLFRYMLSO-UHFFFAOYSA-N 1 2 349.768 3.560 20 30 EHEDLO CCCCCCCCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804440144 1135077261 /nfs/dbraw/zinc/07/72/61/1135077261.db2.gz ULTHIFULBZQWMD-MOPGFXCFSA-N 1 2 338.536 3.839 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775657162 1135428563 /nfs/dbraw/zinc/42/85/63/1135428563.db2.gz WKDWSOGIUWUWCI-UHFFFAOYSA-N 1 2 348.805 3.705 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775657162 1135428567 /nfs/dbraw/zinc/42/85/67/1135428567.db2.gz WKDWSOGIUWUWCI-UHFFFAOYSA-N 1 2 348.805 3.705 20 30 EHEDLO Cc1cc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C)c(C)c1C#N ZINC000809035391 1135771353 /nfs/dbraw/zinc/77/13/53/1135771353.db2.gz SKKBDERWVOFLNV-UHFFFAOYSA-N 1 2 345.402 3.948 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000810094398 1135921066 /nfs/dbraw/zinc/92/10/66/1135921066.db2.gz NPCCVAVICLWGNG-ROUUACIJSA-N 1 2 346.858 3.776 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000810094398 1135921068 /nfs/dbraw/zinc/92/10/68/1135921068.db2.gz NPCCVAVICLWGNG-ROUUACIJSA-N 1 2 346.858 3.776 20 30 EHEDLO N#CCC[N@@H+](CCc1cccc(OC(F)(F)F)c1)Cc1cccnc1 ZINC000747656142 1136026465 /nfs/dbraw/zinc/02/64/65/1136026465.db2.gz GDOURIPUESHSST-UHFFFAOYSA-N 1 2 349.356 3.939 20 30 EHEDLO N#CCC[N@H+](CCc1cccc(OC(F)(F)F)c1)Cc1cccnc1 ZINC000747656142 1136026469 /nfs/dbraw/zinc/02/64/69/1136026469.db2.gz GDOURIPUESHSST-UHFFFAOYSA-N 1 2 349.356 3.939 20 30 EHEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1c[nH+]c2ccc(C)cn12 ZINC000747705778 1136076237 /nfs/dbraw/zinc/07/62/37/1136076237.db2.gz QPJXWMFQRXOQBD-VURMDHGXSA-N 1 2 349.390 3.506 20 30 EHEDLO C#C[C@@H]([NH2+][C@H](CCCC)C(=O)Nc1cc(C)on1)c1ccc(F)cc1 ZINC000812309601 1136193924 /nfs/dbraw/zinc/19/39/24/1136193924.db2.gz HMYYNFYTJMUJOI-IAGOWNOFSA-N 1 2 343.402 3.584 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccc(F)cc1 ZINC000812794005 1136251517 /nfs/dbraw/zinc/25/15/17/1136251517.db2.gz MRBPETWNYVYELW-UGSOOPFHSA-N 1 2 325.383 3.622 20 30 EHEDLO N#CCCCC(=O)OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000813074745 1136288691 /nfs/dbraw/zinc/28/86/91/1136288691.db2.gz KUYNQLOUYAQWEF-UHFFFAOYSA-N 1 2 334.419 3.697 20 30 EHEDLO C=CC[N@H+](CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1)[C@H](C)COC ZINC000853534248 1136542137 /nfs/dbraw/zinc/54/21/37/1136542137.db2.gz HSYXAYALGCURCQ-IEBWSBKVSA-N 1 2 342.483 3.611 20 30 EHEDLO C=CC[N@@H+](CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1)[C@H](C)COC ZINC000853534248 1136542138 /nfs/dbraw/zinc/54/21/38/1136542138.db2.gz HSYXAYALGCURCQ-IEBWSBKVSA-N 1 2 342.483 3.611 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000853598196 1136547637 /nfs/dbraw/zinc/54/76/37/1136547637.db2.gz OAOBGWQARORPTG-IYBDPMFKSA-N 1 2 341.484 3.636 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2cccnc2)n(CC)c1=S ZINC000853598196 1136547640 /nfs/dbraw/zinc/54/76/40/1136547640.db2.gz OAOBGWQARORPTG-IYBDPMFKSA-N 1 2 341.484 3.636 20 30 EHEDLO Cc1cc2ccccc2nc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000776783242 1136665259 /nfs/dbraw/zinc/66/52/59/1136665259.db2.gz RSHCBTLXFPVBBG-UHFFFAOYSA-N 1 2 346.434 3.826 20 30 EHEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)C(C)(C)C ZINC001135336003 1136666059 /nfs/dbraw/zinc/66/60/59/1136666059.db2.gz NDBIQDZLGHZBGO-SJORKVTESA-N 1 2 341.499 3.521 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc(C2CC2)no1 ZINC000113356771 1136697970 /nfs/dbraw/zinc/69/79/70/1136697970.db2.gz GMLFWHRXFPAKOZ-GUYCJALGSA-N 1 2 340.427 3.725 20 30 EHEDLO COc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c(Cl)c1 ZINC000819014165 1136903451 /nfs/dbraw/zinc/90/34/51/1136903451.db2.gz LSQZZXHBENVJOF-SREVYHEPSA-N 1 2 336.844 3.763 20 30 EHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC001136372649 1137003355 /nfs/dbraw/zinc/00/33/55/1137003355.db2.gz HHTNGENXPNFCLZ-UHFFFAOYSA-N 1 2 332.363 3.563 20 30 EHEDLO N#Cc1ccc(C2(C(=O)Nc3ccc4[nH+]ccn4c3)CCCC2)cc1 ZINC000859334755 1137011957 /nfs/dbraw/zinc/01/19/57/1137011957.db2.gz HNDGNHAWWOJJOK-UHFFFAOYSA-N 1 2 330.391 3.656 20 30 EHEDLO Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001143672730 1137188323 /nfs/dbraw/zinc/18/83/23/1137188323.db2.gz OMHATLFVCNRTID-CQSZACIVSA-N 1 2 327.371 3.788 20 30 EHEDLO Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001143672730 1137188324 /nfs/dbraw/zinc/18/83/24/1137188324.db2.gz OMHATLFVCNRTID-CQSZACIVSA-N 1 2 327.371 3.788 20 30 EHEDLO N#Cc1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001143732613 1137193059 /nfs/dbraw/zinc/19/30/59/1137193059.db2.gz SPTXHOAOKBRFSW-MRXNPFEDSA-N 1 2 339.817 3.517 20 30 EHEDLO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(OC(F)(F)F)c1 ZINC001144055575 1137235439 /nfs/dbraw/zinc/23/54/39/1137235439.db2.gz GDNYMOQMQWNDMV-UHFFFAOYSA-N 1 2 328.334 3.719 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(C#N)cc2Cl)s1 ZINC000794715273 1137242861 /nfs/dbraw/zinc/24/28/61/1137242861.db2.gz VCTFSCUCUYMEAE-AATRIKPKSA-N 1 2 331.828 3.626 20 30 EHEDLO CC(C)(C)c1ccc(N2CC[NH+](Cc3ccc(C#N)cn3)CC2)cc1 ZINC001144166683 1137248289 /nfs/dbraw/zinc/24/82/89/1137248289.db2.gz QPUMDWQOMBJSJG-UHFFFAOYSA-N 1 2 334.467 3.573 20 30 EHEDLO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)ccc1OC(F)F ZINC000866218267 1137335827 /nfs/dbraw/zinc/33/58/27/1137335827.db2.gz MUWQIDMCYIPQGF-LLVKDONJSA-N 1 2 348.349 3.725 20 30 EHEDLO Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)N2CCCC2)o1 ZINC000866253379 1137339629 /nfs/dbraw/zinc/33/96/29/1137339629.db2.gz XYVSNCKTIKMLMT-QAPCUYQASA-N 1 2 339.439 3.653 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000847023925 1137383173 /nfs/dbraw/zinc/38/31/73/1137383173.db2.gz PFLUBCNHWPHNAV-MRXNPFEDSA-N 1 2 326.465 3.876 20 30 EHEDLO C#C[C@@H]1CCC[N@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000847023925 1137383175 /nfs/dbraw/zinc/38/31/75/1137383175.db2.gz PFLUBCNHWPHNAV-MRXNPFEDSA-N 1 2 326.465 3.876 20 30 EHEDLO C#CCOc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC001146477932 1137391033 /nfs/dbraw/zinc/39/10/33/1137391033.db2.gz LTPVIKKGIYSUNZ-LJQANCHMSA-N 1 2 345.402 3.582 20 30 EHEDLO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]c(OCCOC)c1 ZINC001171375702 1137462253 /nfs/dbraw/zinc/46/22/53/1137462253.db2.gz BHALOUXHKWTBLV-HNNXBMFYSA-N 1 2 328.412 3.845 20 30 EHEDLO C#CC[C@@H]1CCC[N@@H+](Cc2occ(C(F)(F)F)c2C(=O)OCC)C1 ZINC001171488965 1137491332 /nfs/dbraw/zinc/49/13/32/1137491332.db2.gz BFPICVNWFDZDIW-GFCCVEGCSA-N 1 2 343.345 3.710 20 30 EHEDLO C#CC[C@@H]1CCC[N@H+](Cc2occ(C(F)(F)F)c2C(=O)OCC)C1 ZINC001171488965 1137491334 /nfs/dbraw/zinc/49/13/34/1137491334.db2.gz BFPICVNWFDZDIW-GFCCVEGCSA-N 1 2 343.345 3.710 20 30 EHEDLO CCC[C@](C)(C#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172092544 1137532146 /nfs/dbraw/zinc/53/21/46/1137532146.db2.gz YEGKFLWKDVMSNZ-YYAJDYIMSA-N 1 2 335.492 3.979 20 30 EHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172328149 1137550371 /nfs/dbraw/zinc/55/03/71/1137550371.db2.gz OLAMIENVLWTBBT-LMMKCTJWSA-N 1 2 333.472 3.510 20 30 EHEDLO CC(C)(C)OC(=O)N=c1[nH]c(C=[NH+]n2cnc3ccccc32)cs1 ZINC000872339534 1137578735 /nfs/dbraw/zinc/57/87/35/1137578735.db2.gz ORVDAYHCQNXZAZ-UHFFFAOYSA-N 1 2 343.412 3.722 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1nc2ccccc2[nH]1 ZINC000876985353 1137666770 /nfs/dbraw/zinc/66/67/70/1137666770.db2.gz PVDMHRBONMIYLT-MRXNPFEDSA-N 1 2 339.830 3.970 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(Cl)cc1 ZINC000825949101 1137673634 /nfs/dbraw/zinc/67/36/34/1137673634.db2.gz PMYXODHSPRMKSY-ZDUSSCGKSA-N 1 2 327.737 3.556 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1c1cc(C)on1)c1ccccc1 ZINC000877921319 1137695692 /nfs/dbraw/zinc/69/56/92/1137695692.db2.gz HENVLUXDOLKGEK-VQTJNVASSA-N 1 2 337.423 3.561 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1c1cc(C)on1)c1ccccc1 ZINC000877921319 1137695693 /nfs/dbraw/zinc/69/56/93/1137695693.db2.gz HENVLUXDOLKGEK-VQTJNVASSA-N 1 2 337.423 3.561 20 30 EHEDLO CC(C)(CCC#N)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883120027 1137845326 /nfs/dbraw/zinc/84/53/26/1137845326.db2.gz QVYZJHJGVRJTAU-UHFFFAOYSA-N 1 2 329.213 3.713 20 30 EHEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)c2ccc(F)cc2F)c1C#N ZINC000886897647 1138170534 /nfs/dbraw/zinc/17/05/34/1138170534.db2.gz DRUFBMFSYIDKMY-UHFFFAOYSA-N 1 2 344.361 3.648 20 30 EHEDLO N#Cc1ccccc1OC1CC[NH+](Cc2cnccc2Cl)CC1 ZINC001137237710 1138219557 /nfs/dbraw/zinc/21/95/57/1138219557.db2.gz GOOBIONTHLQZTI-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO CCOc1cccc(/C=[NH+]\CC[C@@H]2CCC3(CCOCC3)CO2)c1O ZINC000887270288 1138252230 /nfs/dbraw/zinc/25/22/30/1138252230.db2.gz KXOKUSOIESRCBB-XESZTULISA-N 1 2 347.455 3.576 20 30 EHEDLO C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129122102 1138405009 /nfs/dbraw/zinc/40/50/09/1138405009.db2.gz CTZJKKYIVOBZDO-MAUKXSAKSA-N 1 2 340.427 3.563 20 30 EHEDLO C=CCC(CC=C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000150781895 1138982061 /nfs/dbraw/zinc/98/20/61/1138982061.db2.gz WLFBLDPQLIIEOU-UHFFFAOYSA-N 1 2 328.456 3.534 20 30 EHEDLO CCC[N@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(C#N)cc1 ZINC000181096185 1139885275 /nfs/dbraw/zinc/88/52/75/1139885275.db2.gz RAYQYIKHQTYLPP-UHFFFAOYSA-N 1 2 335.455 3.774 20 30 EHEDLO CCC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(C#N)cc1 ZINC000181096185 1139885280 /nfs/dbraw/zinc/88/52/80/1139885280.db2.gz RAYQYIKHQTYLPP-UHFFFAOYSA-N 1 2 335.455 3.774 20 30 EHEDLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Br)s1 ZINC000185041465 1140133087 /nfs/dbraw/zinc/13/30/87/1140133087.db2.gz GYYNTIQNKTTZLP-JTQLQIEISA-N 1 2 336.258 3.937 20 30 EHEDLO C=CCC[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000188801285 1140308953 /nfs/dbraw/zinc/30/89/53/1140308953.db2.gz AFLSJDFIQOYXDN-RBUKOAKNSA-N 1 2 335.451 3.527 20 30 EHEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000191311147 1140453546 /nfs/dbraw/zinc/45/35/46/1140453546.db2.gz BVDIWLVXTYDFJV-GOSISDBHSA-N 1 2 347.422 3.674 20 30 EHEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1C#N ZINC000191311147 1140453548 /nfs/dbraw/zinc/45/35/48/1140453548.db2.gz BVDIWLVXTYDFJV-GOSISDBHSA-N 1 2 347.422 3.674 20 30 EHEDLO C=CC[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C1CC1 ZINC000271491590 1141380493 /nfs/dbraw/zinc/38/04/93/1141380493.db2.gz UOOPBKPUFNPYLW-UHFFFAOYSA-N 1 2 327.409 3.807 20 30 EHEDLO C=CC[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C1CC1 ZINC000271491590 1141380500 /nfs/dbraw/zinc/38/05/00/1141380500.db2.gz UOOPBKPUFNPYLW-UHFFFAOYSA-N 1 2 327.409 3.807 20 30 EHEDLO CN(C)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1F ZINC000274265074 1141491458 /nfs/dbraw/zinc/49/14/58/1141491458.db2.gz NTIOHOLHLNXIQC-UHFFFAOYSA-N 1 2 328.391 3.581 20 30 EHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccccc1F ZINC000339223232 1141532559 /nfs/dbraw/zinc/53/25/59/1141532559.db2.gz MSKRCLZWGYRCMA-NGEICVOHSA-N 1 2 345.462 3.577 20 30 EHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccccc1F ZINC000339223232 1141532562 /nfs/dbraw/zinc/53/25/62/1141532562.db2.gz MSKRCLZWGYRCMA-NGEICVOHSA-N 1 2 345.462 3.577 20 30 EHEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000348538274 1141547961 /nfs/dbraw/zinc/54/79/61/1141547961.db2.gz AYZNZWAMEWVUBF-UHFFFAOYSA-N 1 2 349.434 3.881 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000348538274 1141547964 /nfs/dbraw/zinc/54/79/64/1141547964.db2.gz AYZNZWAMEWVUBF-UHFFFAOYSA-N 1 2 349.434 3.881 20 30 EHEDLO N#Cc1ccccc1CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000003550293 210052472 /nfs/dbraw/zinc/05/24/72/210052472.db2.gz QPMDUSNKWTXCSG-UHFFFAOYSA-N 1 2 343.415 3.979 20 30 EHEDLO COc1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1OC1CCCC1 ZINC000579758210 1014382320 /nfs/dbraw/zinc/38/23/20/1014382320.db2.gz RRSYBPGNIAIYBI-OAHLLOKOSA-N 1 2 327.428 3.550 20 30 EHEDLO CCCc1[nH+]c(C)cc(OCc2ccc(F)cc2C#N)c1C(=O)OC ZINC000579774016 1014449641 /nfs/dbraw/zinc/44/96/41/1014449641.db2.gz XQYHDRYCKPBXFK-UHFFFAOYSA-N 1 2 342.370 3.719 20 30 EHEDLO N#Cc1csc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)n1 ZINC000599017102 1033666292 /nfs/dbraw/zinc/66/62/92/1033666292.db2.gz YGASWLJJIUQZJP-CYBMUJFWSA-N 1 2 342.251 3.535 20 30 EHEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000376645599 1016951607 /nfs/dbraw/zinc/95/16/07/1016951607.db2.gz WUKVEQJIAMCOFW-QGZVFWFLSA-N 1 2 331.419 3.735 20 30 EHEDLO N#C[C@@H]1CCC[N@@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000693913444 1032226976 /nfs/dbraw/zinc/22/69/76/1032226976.db2.gz WKVSWYWMTACSAV-ZDUSSCGKSA-N 1 2 335.245 3.648 20 30 EHEDLO N#C[C@@H]1CCC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000693913444 1032226985 /nfs/dbraw/zinc/22/69/85/1032226985.db2.gz WKVSWYWMTACSAV-ZDUSSCGKSA-N 1 2 335.245 3.648 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](c3ccccn3)C3CCC3)o2)c1 ZINC000528655136 1032539558 /nfs/dbraw/zinc/53/95/58/1032539558.db2.gz DEDSGJLIBXUJQX-IBGZPJMESA-N 1 2 345.406 3.634 20 30 EHEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329814899 1032593107 /nfs/dbraw/zinc/59/31/07/1032593107.db2.gz DWQICFWNOAERNK-RRQGHBQHSA-N 1 2 332.444 3.561 20 30 EHEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329814899 1032593116 /nfs/dbraw/zinc/59/31/16/1032593116.db2.gz DWQICFWNOAERNK-RRQGHBQHSA-N 1 2 332.444 3.561 20 30 EHEDLO CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602084067 1032618570 /nfs/dbraw/zinc/61/85/70/1032618570.db2.gz PCZGPUNLINGFPH-LPHOPBHVSA-N 1 2 338.455 3.952 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccnn1-c1ccccc1 ZINC000348650550 1019391196 /nfs/dbraw/zinc/39/11/96/1019391196.db2.gz TUSVUNOFGCKPPQ-UHFFFAOYSA-N 1 2 337.423 3.536 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccnn1-c1ccccc1 ZINC000348650550 1019391212 /nfs/dbraw/zinc/39/12/12/1019391212.db2.gz TUSVUNOFGCKPPQ-UHFFFAOYSA-N 1 2 337.423 3.536 20 30 EHEDLO N#Cc1cccc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000491211348 1032839150 /nfs/dbraw/zinc/83/91/50/1032839150.db2.gz CCTOPLKQNZLWCL-QPJJXVBHSA-N 1 2 332.338 3.535 20 30 EHEDLO COCc1cc[nH+]c(NCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000593224619 1032840511 /nfs/dbraw/zinc/84/05/11/1032840511.db2.gz UOGSZFOLMFEKPZ-UHFFFAOYSA-N 1 2 347.422 3.617 20 30 EHEDLO C=CCN1C(=O)c2ccccc2N[C@]12CCC[C@@H](c1[nH+]ccn1C)C2 ZINC000581059103 1020393261 /nfs/dbraw/zinc/39/32/61/1020393261.db2.gz GRXLLNVHRJZBJX-FOIQADDNSA-N 1 2 336.439 3.528 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000606925843 1032913434 /nfs/dbraw/zinc/91/34/34/1032913434.db2.gz VFYQMNLTNJVPJF-UHFFFAOYSA-N 1 2 326.444 3.760 20 30 EHEDLO Cc1cccn2c(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cnc12 ZINC000093872357 1032919245 /nfs/dbraw/zinc/91/92/45/1032919245.db2.gz QHIBGRLRBHSEMV-VQTJNVASSA-N 1 2 330.435 3.915 20 30 EHEDLO Cc1cccn2c(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cnc12 ZINC000093872357 1032919252 /nfs/dbraw/zinc/91/92/52/1032919252.db2.gz QHIBGRLRBHSEMV-VQTJNVASSA-N 1 2 330.435 3.915 20 30 EHEDLO C=CC[C@H](CC)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000341435274 1021886999 /nfs/dbraw/zinc/88/69/99/1021886999.db2.gz REMNDIOILVGVIO-YTQUADARSA-N 1 2 338.455 3.766 20 30 EHEDLO CC(C)Cn1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(C(F)F)n1 ZINC000328914241 1022543158 /nfs/dbraw/zinc/54/31/58/1022543158.db2.gz QAYOZTRSIRZUOH-NSHDSACASA-N 1 2 337.374 3.524 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000330868231 1022688778 /nfs/dbraw/zinc/68/87/78/1022688778.db2.gz YKKWAKVMFZAXNQ-CWSCBRNRSA-N 1 2 326.227 3.602 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc2onc(C)c2c1 ZINC000894747588 1022829920 /nfs/dbraw/zinc/82/99/20/1022829920.db2.gz ATKGNHMUFWJRHF-UHFFFAOYSA-N 1 2 339.443 3.887 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc2onc(C)c2c1 ZINC000894747588 1022829938 /nfs/dbraw/zinc/82/99/38/1022829938.db2.gz ATKGNHMUFWJRHF-UHFFFAOYSA-N 1 2 339.443 3.887 20 30 EHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000610729617 1023370096 /nfs/dbraw/zinc/37/00/96/1023370096.db2.gz UPMUKGWZYLYNSW-INIZCTEOSA-N 1 2 346.381 3.539 20 30 EHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000610729617 1023370107 /nfs/dbraw/zinc/37/01/07/1023370107.db2.gz UPMUKGWZYLYNSW-INIZCTEOSA-N 1 2 346.381 3.539 20 30 EHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC=C(c3ccccc3)C2)C1=O ZINC000341975028 1023728299 /nfs/dbraw/zinc/72/82/99/1023728299.db2.gz IZNFVDSLJSRMEI-GOSISDBHSA-N 1 2 349.459 3.514 20 30 EHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC=C(c3ccccc3)C2)C1=O ZINC000341975028 1023728304 /nfs/dbraw/zinc/72/83/04/1023728304.db2.gz IZNFVDSLJSRMEI-GOSISDBHSA-N 1 2 349.459 3.514 20 30 EHEDLO Cc1cccc(C[N@H+](Cc2ccnc(C#N)c2)Cc2ccccn2)c1 ZINC000610994694 1024000033 /nfs/dbraw/zinc/00/00/33/1024000033.db2.gz JBAASCKSCPUBQM-UHFFFAOYSA-N 1 2 328.419 3.859 20 30 EHEDLO Cc1cccc(C[N@@H+](Cc2ccnc(C#N)c2)Cc2ccccn2)c1 ZINC000610994694 1024000049 /nfs/dbraw/zinc/00/00/49/1024000049.db2.gz JBAASCKSCPUBQM-UHFFFAOYSA-N 1 2 328.419 3.859 20 30 EHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(C)CCCOC3)n2)C1 ZINC000329709023 1024110324 /nfs/dbraw/zinc/11/03/24/1024110324.db2.gz MSZMQESJTPDXML-GUYCJALGSA-N 1 2 337.489 3.780 20 30 EHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(C)CCCOC3)n2)C1 ZINC000329709023 1024110332 /nfs/dbraw/zinc/11/03/32/1024110332.db2.gz MSZMQESJTPDXML-GUYCJALGSA-N 1 2 337.489 3.780 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H]3CCC[C@H]31)C2 ZINC000329769124 1024185981 /nfs/dbraw/zinc/18/59/81/1024185981.db2.gz HKROHOICKDGVOD-HRCADAONSA-N 1 2 344.503 3.674 20 30 EHEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329771092 1024188385 /nfs/dbraw/zinc/18/83/85/1024188385.db2.gz GPXQJKJYPNQWMU-CYBMUJFWSA-N 1 2 345.468 3.775 20 30 EHEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCOCC2(CCC2)C1 ZINC000329771092 1024188390 /nfs/dbraw/zinc/18/83/90/1024188390.db2.gz GPXQJKJYPNQWMU-CYBMUJFWSA-N 1 2 345.468 3.775 20 30 EHEDLO Cc1ccc2nc(NC(=O)C[N@H+](C)C[C@H]3CCCCO3)sc2c1 ZINC000329837859 1024218281 /nfs/dbraw/zinc/21/82/81/1024218281.db2.gz NAVITWIYZXVTPD-CYBMUJFWSA-N 1 2 333.457 3.694 20 30 EHEDLO Cc1ccc2nc(NC(=O)C[N@@H+](C)C[C@H]3CCCCO3)sc2c1 ZINC000329837859 1024218295 /nfs/dbraw/zinc/21/82/95/1024218295.db2.gz NAVITWIYZXVTPD-CYBMUJFWSA-N 1 2 333.457 3.694 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@@H]1c1ccccc1 ZINC000330293810 1024439450 /nfs/dbraw/zinc/43/94/50/1024439450.db2.gz ICBOOHDCVAJQRH-QZTJIDSGSA-N 1 2 338.455 3.729 20 30 EHEDLO C=CCCCCCS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427668709 1024715356 /nfs/dbraw/zinc/71/53/56/1024715356.db2.gz QYDYNQRWKXZDPN-QGZVFWFLSA-N 1 2 347.528 3.598 20 30 EHEDLO CCCC1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000330324389 1024782454 /nfs/dbraw/zinc/78/24/54/1024782454.db2.gz IKKJIFNVGRYHCP-AJTLQJAISA-N 1 2 348.491 3.503 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000281323267 1024922566 /nfs/dbraw/zinc/92/25/66/1024922566.db2.gz KTEHQFYMNOKZKW-BQFCYCMXSA-N 1 2 345.487 3.772 20 30 EHEDLO CC1=CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000436263384 1025521283 /nfs/dbraw/zinc/52/12/83/1025521283.db2.gz HHMPRCHYJVJHQR-HNNXBMFYSA-N 1 2 329.469 3.671 20 30 EHEDLO CC1=CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000436263384 1025521299 /nfs/dbraw/zinc/52/12/99/1025521299.db2.gz HHMPRCHYJVJHQR-HNNXBMFYSA-N 1 2 329.469 3.671 20 30 EHEDLO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000505788412 1025550485 /nfs/dbraw/zinc/55/04/85/1025550485.db2.gz BFCCBFLLROEVNZ-UHFFFAOYSA-N 1 2 346.409 3.998 20 30 EHEDLO Cc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000505788412 1025550499 /nfs/dbraw/zinc/55/04/99/1025550499.db2.gz BFCCBFLLROEVNZ-UHFFFAOYSA-N 1 2 346.409 3.998 20 30 EHEDLO Cc1nc[nH]c1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329447510 1025856907 /nfs/dbraw/zinc/85/69/07/1025856907.db2.gz MFDOZKMQODGABC-OAHLLOKOSA-N 1 2 341.459 3.681 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1c1ccccc1Cl ZINC000329501840 1025933136 /nfs/dbraw/zinc/93/31/36/1025933136.db2.gz AHDABXCBKXGTOI-PXAZEXFGSA-N 1 2 344.846 3.672 20 30 EHEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505775 1025935060 /nfs/dbraw/zinc/93/50/60/1025935060.db2.gz ZKVDIKFBGCOQFA-ZBFHGGJFSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505775 1025935072 /nfs/dbraw/zinc/93/50/72/1025935072.db2.gz ZKVDIKFBGCOQFA-ZBFHGGJFSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)n1 ZINC000329505775 1025935077 /nfs/dbraw/zinc/93/50/77/1025935077.db2.gz ZKVDIKFBGCOQFA-ZBFHGGJFSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)n1 ZINC000329505775 1025935088 /nfs/dbraw/zinc/93/50/88/1025935088.db2.gz ZKVDIKFBGCOQFA-ZBFHGGJFSA-N 1 2 341.459 3.586 20 30 EHEDLO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc(Br)c(F)cc1O ZINC000840787977 1026253273 /nfs/dbraw/zinc/25/32/73/1026253273.db2.gz SHPPNXIBTWKPIG-SECBINFHSA-N 1 2 329.213 3.884 20 30 EHEDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428343725 1026737727 /nfs/dbraw/zinc/73/77/27/1026737727.db2.gz CSDLCUFATBIGPY-IBGZPJMESA-N 1 2 340.398 3.870 20 30 EHEDLO Cc1occc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000414441616 1027351742 /nfs/dbraw/zinc/35/17/42/1027351742.db2.gz FPSUABNNCQSWLC-GOSISDBHSA-N 1 2 329.831 3.624 20 30 EHEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000533371801 1027764035 /nfs/dbraw/zinc/76/40/35/1027764035.db2.gz OBGOGYBOWPAXNA-OAHLLOKOSA-N 1 2 326.362 3.535 20 30 EHEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000533371801 1027764052 /nfs/dbraw/zinc/76/40/52/1027764052.db2.gz OBGOGYBOWPAXNA-OAHLLOKOSA-N 1 2 326.362 3.535 20 30 EHEDLO C[C@H]1CCSCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347117948 1027858995 /nfs/dbraw/zinc/85/89/95/1027858995.db2.gz HDNNDXQUWGUPIM-NSHDSACASA-N 1 2 325.275 3.648 20 30 EHEDLO C[C@H]1CCSCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347117948 1027859010 /nfs/dbraw/zinc/85/90/10/1027859010.db2.gz HDNNDXQUWGUPIM-NSHDSACASA-N 1 2 325.275 3.648 20 30 EHEDLO C[C@H](C#N)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000068886805 1028412003 /nfs/dbraw/zinc/41/20/03/1028412003.db2.gz YTGWPZUJDULJNV-GHMZBOCLSA-N 1 2 335.864 3.547 20 30 EHEDLO C=CC[C@H]1N(C(=O)NCc2ccn3cc[nH+]c3c2)CCCC1(C)C ZINC000445207031 1028618443 /nfs/dbraw/zinc/61/84/43/1028618443.db2.gz BARSLAZNVXPPJB-MRXNPFEDSA-N 1 2 326.444 3.611 20 30 EHEDLO N#Cc1ccc(SCc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000421830307 1028817602 /nfs/dbraw/zinc/81/76/02/1028817602.db2.gz BTHNEQVJKFSQPD-UHFFFAOYSA-N 1 2 342.439 3.822 20 30 EHEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(CCOC)c1C)Cc1cccs1 ZINC000078527308 1029360257 /nfs/dbraw/zinc/36/02/57/1029360257.db2.gz SNOOCKHHWVQLCK-UHFFFAOYSA-N 1 2 346.496 3.684 20 30 EHEDLO C=CC[N@H+](CC(=O)c1cc(C)n(CCOC)c1C)Cc1cccs1 ZINC000078527308 1029360276 /nfs/dbraw/zinc/36/02/76/1029360276.db2.gz SNOOCKHHWVQLCK-UHFFFAOYSA-N 1 2 346.496 3.684 20 30 EHEDLO CC1(C#N)CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000272537820 1029502603 /nfs/dbraw/zinc/50/26/03/1029502603.db2.gz JFOXMZGSBBOTAI-HXUWFJFHSA-N 1 2 339.483 3.660 20 30 EHEDLO COc1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)cc1 ZINC000272604658 1029530371 /nfs/dbraw/zinc/53/03/71/1029530371.db2.gz RJPRULQOISCPIG-UHFFFAOYSA-N 1 2 327.453 3.944 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000237479257 1029802096 /nfs/dbraw/zinc/80/20/96/1029802096.db2.gz HPADPUYSRFQTCF-AWEZNQCLSA-N 1 2 327.428 3.620 20 30 EHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000899974628 1029995490 /nfs/dbraw/zinc/99/54/90/1029995490.db2.gz AFLSUMXGHDMPNI-UHFFFAOYSA-N 1 2 337.876 3.856 20 30 EHEDLO Cc1cc(C)c(C#N)c(N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000481813449 1030003195 /nfs/dbraw/zinc/00/31/95/1030003195.db2.gz JUSNQOCABBTHKP-UHFFFAOYSA-N 1 2 340.858 3.546 20 30 EHEDLO CC[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(C#N)cc1 ZINC000340425782 1030129461 /nfs/dbraw/zinc/12/94/61/1030129461.db2.gz UFRYIGFAWNGVMN-IAQYHMDHSA-N 1 2 345.244 3.913 20 30 EHEDLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000448057308 1030698110 /nfs/dbraw/zinc/69/81/10/1030698110.db2.gz BKAMAGBMLBHMFK-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000448057308 1030698122 /nfs/dbraw/zinc/69/81/22/1030698122.db2.gz BKAMAGBMLBHMFK-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO O=C(C[N@@H+]1CCCc2occc2C1)N[C@@H]1CCOc2ccccc21 ZINC000329508599 1030976275 /nfs/dbraw/zinc/97/62/75/1030976275.db2.gz AYHJSUPOGJQTGC-MRXNPFEDSA-N 1 2 326.396 3.508 20 30 EHEDLO O=C(C[N@H+]1CCCc2occc2C1)N[C@@H]1CCOc2ccccc21 ZINC000329508599 1030976293 /nfs/dbraw/zinc/97/62/93/1030976293.db2.gz AYHJSUPOGJQTGC-MRXNPFEDSA-N 1 2 326.396 3.508 20 30 EHEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3cc(C#N)cs3)n2)cc1F ZINC000483657243 1031263282 /nfs/dbraw/zinc/26/32/82/1031263282.db2.gz SBHMJNYNCNPYAR-NSHDSACASA-N 1 2 342.399 3.968 20 30 EHEDLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(C#N)cc3OC)CCO2)cc1 ZINC000484356797 1031544606 /nfs/dbraw/zinc/54/46/06/1031544606.db2.gz NVDZCFXMVVOLCO-OAQYLSRUSA-N 1 2 336.435 3.703 20 30 EHEDLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3OC)CCO2)cc1 ZINC000484356797 1031544612 /nfs/dbraw/zinc/54/46/12/1031544612.db2.gz NVDZCFXMVVOLCO-OAQYLSRUSA-N 1 2 336.435 3.703 20 30 EHEDLO C=CCSc1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000347452100 1031625727 /nfs/dbraw/zinc/62/57/27/1031625727.db2.gz URASMAPVDKSPHQ-HNNXBMFYSA-N 1 2 341.480 3.718 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178198763 1031641186 /nfs/dbraw/zinc/64/11/86/1031641186.db2.gz FXLLJQFVTAKDFW-UHFFFAOYSA-N 1 2 336.395 3.611 20 30 EHEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000484563193 1031743502 /nfs/dbraw/zinc/74/35/02/1031743502.db2.gz MSYDEASJASIXPS-UHFFFAOYSA-N 1 2 340.423 3.552 20 30 EHEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000484563193 1031743521 /nfs/dbraw/zinc/74/35/21/1031743521.db2.gz MSYDEASJASIXPS-UHFFFAOYSA-N 1 2 340.423 3.552 20 30 EHEDLO NC(=[NH+]OCc1csc(-c2cccs2)n1)c1ccc(F)cc1 ZINC000063455343 1033323810 /nfs/dbraw/zinc/32/38/10/1033323810.db2.gz MJXPBUZNJYZYFV-UHFFFAOYSA-N 1 2 333.413 3.848 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2coc(-c3ccc(F)cc3)n2)ccc1F ZINC000063457637 1033357891 /nfs/dbraw/zinc/35/78/91/1033357891.db2.gz SPSVBMFCTSOQGU-UHFFFAOYSA-N 1 2 343.333 3.765 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2coc(-c3cccs3)n2)ccc1F ZINC000063457727 1033359506 /nfs/dbraw/zinc/35/95/06/1033359506.db2.gz ULWUGTGEBFLQNU-UHFFFAOYSA-N 1 2 331.372 3.688 20 30 EHEDLO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccncc2)C(=O)OC(C)(C)C)C1 ZINC000594615765 1033480795 /nfs/dbraw/zinc/48/07/95/1033480795.db2.gz QEVNBXMUPZMVLM-KBAYOESNSA-N 1 2 330.472 3.669 20 30 EHEDLO Cn1cc(CNc2c[nH+]cc3c2CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000594741686 1033518417 /nfs/dbraw/zinc/51/84/17/1033518417.db2.gz BWYBPQOLZWOLBJ-UHFFFAOYSA-N 1 2 343.434 3.845 20 30 EHEDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])o1 ZINC000574992499 1033754774 /nfs/dbraw/zinc/75/47/74/1033754774.db2.gz MXASVHZBSXSYOT-MRXNPFEDSA-N 1 2 341.367 3.543 20 30 EHEDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])o1 ZINC000574992499 1033754790 /nfs/dbraw/zinc/75/47/90/1033754790.db2.gz MXASVHZBSXSYOT-MRXNPFEDSA-N 1 2 341.367 3.543 20 30 EHEDLO C[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c2ccccc2S1 ZINC000595618778 1033904407 /nfs/dbraw/zinc/90/44/07/1033904407.db2.gz RIFIUBJBJVBQNZ-CVEARBPZSA-N 1 2 343.496 3.530 20 30 EHEDLO C[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc2S1 ZINC000595618778 1033904417 /nfs/dbraw/zinc/90/44/17/1033904417.db2.gz RIFIUBJBJVBQNZ-CVEARBPZSA-N 1 2 343.496 3.530 20 30 EHEDLO COc1ccc(-c2noc(C[NH2+]C(C)(C)c3cccc(C#N)c3)n2)cc1 ZINC000595641298 1033932900 /nfs/dbraw/zinc/93/29/00/1033932900.db2.gz HVEAQUPWAKWRMM-UHFFFAOYSA-N 1 2 348.406 3.642 20 30 EHEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595704343 1033951643 /nfs/dbraw/zinc/95/16/43/1033951643.db2.gz PPMGHIILLKPFAR-UXHICEINSA-N 1 2 349.409 3.640 20 30 EHEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595704343 1033951656 /nfs/dbraw/zinc/95/16/56/1033951656.db2.gz PPMGHIILLKPFAR-UXHICEINSA-N 1 2 349.409 3.640 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@@H]2C)c1 ZINC000599621592 1034038319 /nfs/dbraw/zinc/03/83/19/1034038319.db2.gz BICMSJYNDYMYGL-INIZCTEOSA-N 1 2 349.425 3.670 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@@H]2C)c1 ZINC000599621592 1034038330 /nfs/dbraw/zinc/03/83/30/1034038330.db2.gz BICMSJYNDYMYGL-INIZCTEOSA-N 1 2 349.425 3.670 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121167944 1034483987 /nfs/dbraw/zinc/48/39/87/1034483987.db2.gz DFVJRWDDAYPVPP-OAHLLOKOSA-N 1 2 335.517 3.768 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121167944 1034483993 /nfs/dbraw/zinc/48/39/93/1034483993.db2.gz DFVJRWDDAYPVPP-OAHLLOKOSA-N 1 2 335.517 3.768 20 30 EHEDLO Cn1c(C[N@@H+]2CCC[C@H](CC#N)C2)nc2cc(C(F)(F)F)ccc21 ZINC000597176517 1034581342 /nfs/dbraw/zinc/58/13/42/1034581342.db2.gz IINGXMPBZMCDEQ-GFCCVEGCSA-N 1 2 336.361 3.718 20 30 EHEDLO Cn1c(C[N@H+]2CCC[C@H](CC#N)C2)nc2cc(C(F)(F)F)ccc21 ZINC000597176517 1034581350 /nfs/dbraw/zinc/58/13/50/1034581350.db2.gz IINGXMPBZMCDEQ-GFCCVEGCSA-N 1 2 336.361 3.718 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@](C)(C#N)C3)c2)cc1 ZINC000597230196 1034613552 /nfs/dbraw/zinc/61/35/52/1034613552.db2.gz QRTBMFZAZOFJQT-NRFANRHFSA-N 1 2 349.434 3.683 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@](C)(C#N)C3)c2)cc1 ZINC000597230196 1034613559 /nfs/dbraw/zinc/61/35/59/1034613559.db2.gz QRTBMFZAZOFJQT-NRFANRHFSA-N 1 2 349.434 3.683 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@](C)(C#N)C3)c2)cc1 ZINC000597230198 1034614052 /nfs/dbraw/zinc/61/40/52/1034614052.db2.gz QRTBMFZAZOFJQT-OAQYLSRUSA-N 1 2 349.434 3.683 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@](C)(C#N)C3)c2)cc1 ZINC000597230198 1034614062 /nfs/dbraw/zinc/61/40/62/1034614062.db2.gz QRTBMFZAZOFJQT-OAQYLSRUSA-N 1 2 349.434 3.683 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1cccs1 ZINC000669730998 1034863194 /nfs/dbraw/zinc/86/31/94/1034863194.db2.gz VYSHTIWVJZGHDB-UHFFFAOYSA-N 1 2 332.444 3.500 20 30 EHEDLO C=CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1cccs1 ZINC000669730998 1034863201 /nfs/dbraw/zinc/86/32/01/1034863201.db2.gz VYSHTIWVJZGHDB-UHFFFAOYSA-N 1 2 332.444 3.500 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000442673429 1035665057 /nfs/dbraw/zinc/66/50/57/1035665057.db2.gz RVCBDJMQRFAZRX-QGZVFWFLSA-N 1 2 330.435 3.996 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000442673429 1035665063 /nfs/dbraw/zinc/66/50/63/1035665063.db2.gz RVCBDJMQRFAZRX-QGZVFWFLSA-N 1 2 330.435 3.996 20 30 EHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCCCCC#N)n2)C1 ZINC000588266614 1035868296 /nfs/dbraw/zinc/86/82/96/1035868296.db2.gz YACJDRKPWCORRI-AWEZNQCLSA-N 1 2 334.489 3.788 20 30 EHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCCCC#N)n2)C1 ZINC000588266614 1035868313 /nfs/dbraw/zinc/86/83/13/1035868313.db2.gz YACJDRKPWCORRI-AWEZNQCLSA-N 1 2 334.489 3.788 20 30 EHEDLO Cc1[nH]c2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc2[nH+]1 ZINC000347366401 1036566752 /nfs/dbraw/zinc/56/67/52/1036566752.db2.gz JBNJDIOCRDSKAE-UHFFFAOYSA-N 1 2 348.406 3.931 20 30 EHEDLO COc1ccccc1[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccn1 ZINC000089797270 1036663435 /nfs/dbraw/zinc/66/34/35/1036663435.db2.gz UBVQDVBVJPCDQS-IBGZPJMESA-N 1 2 335.432 3.903 20 30 EHEDLO CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000590026240 1036710179 /nfs/dbraw/zinc/71/01/79/1036710179.db2.gz HELGYPWXOZGGAK-INIZCTEOSA-N 1 2 342.487 3.905 20 30 EHEDLO CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000590026240 1036710198 /nfs/dbraw/zinc/71/01/98/1036710198.db2.gz HELGYPWXOZGGAK-INIZCTEOSA-N 1 2 342.487 3.905 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000590196143 1036795629 /nfs/dbraw/zinc/79/56/29/1036795629.db2.gz UZJSKGIKUGNXSE-FRRDWIJNSA-N 1 2 331.485 3.556 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000590196143 1036795648 /nfs/dbraw/zinc/79/56/48/1036795648.db2.gz UZJSKGIKUGNXSE-FRRDWIJNSA-N 1 2 331.485 3.556 20 30 EHEDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566359 1036845460 /nfs/dbraw/zinc/84/54/60/1036845460.db2.gz SFQMHGFQCCQZGO-QRWLVFNGSA-N 1 2 341.405 3.908 20 30 EHEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]2C ZINC000541949649 1036879933 /nfs/dbraw/zinc/87/99/33/1036879933.db2.gz ZOHNXKWSSZZNSC-CABCVRRESA-N 1 2 349.434 3.513 20 30 EHEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]2C ZINC000541949649 1036879953 /nfs/dbraw/zinc/87/99/53/1036879953.db2.gz ZOHNXKWSSZZNSC-CABCVRRESA-N 1 2 349.434 3.513 20 30 EHEDLO C=CCN(CC1CCCCC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177776119 1036931659 /nfs/dbraw/zinc/93/16/59/1036931659.db2.gz KTOGREZFYKGQGK-UHFFFAOYSA-N 1 2 326.444 3.612 20 30 EHEDLO CC(C)(C)c1cnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000104713011 1037358247 /nfs/dbraw/zinc/35/82/47/1037358247.db2.gz UOVVMSVBIGTNLP-UHFFFAOYSA-N 1 2 339.439 3.887 20 30 EHEDLO N#Cc1csc(C[NH2+]Cc2ccccc2OCc2ccccc2)n1 ZINC000352820931 1037414224 /nfs/dbraw/zinc/41/42/24/1037414224.db2.gz FFEACIGIMMLNPK-UHFFFAOYSA-N 1 2 335.432 3.884 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cncc(Br)c1)c1ccc(Cl)cc1 ZINC000491769326 1037662439 /nfs/dbraw/zinc/66/24/39/1037662439.db2.gz MTYPHKPQRNUIGR-OAHLLOKOSA-N 1 2 335.632 3.962 20 30 EHEDLO C[N@H+](CC1=Cc2cc(Br)ccc2OC1)CC(C)(C)C#N ZINC000552316753 1039201436 /nfs/dbraw/zinc/20/14/36/1039201436.db2.gz LIOVHTQQJMOWNH-UHFFFAOYSA-N 1 2 335.245 3.706 20 30 EHEDLO C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)CC(C)(C)C#N ZINC000552316753 1039201447 /nfs/dbraw/zinc/20/14/47/1039201447.db2.gz LIOVHTQQJMOWNH-UHFFFAOYSA-N 1 2 335.245 3.706 20 30 EHEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@]2(C#N)CC3CCC2CC3)n1 ZINC000911963769 1039614285 /nfs/dbraw/zinc/61/42/85/1039614285.db2.gz OJHOFMSBSNWTGM-JRSKDTKFSA-N 1 2 346.500 3.643 20 30 EHEDLO C=CC(C)(C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000893784058 1039716255 /nfs/dbraw/zinc/71/62/55/1039716255.db2.gz BGAISKBBINCMFM-QGZVFWFLSA-N 1 2 326.444 3.505 20 30 EHEDLO Cc1cc(C)c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c(C)[nH+]1 ZINC000912534908 1039973371 /nfs/dbraw/zinc/97/33/71/1039973371.db2.gz GUDMICWGMCDUJH-UHFFFAOYSA-N 1 2 348.450 3.595 20 30 EHEDLO Cc1noc2ncc(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc12 ZINC000894083128 1040041221 /nfs/dbraw/zinc/04/12/21/1040041221.db2.gz AKESMITVPWWZOB-RTBURBONSA-N 1 2 332.407 3.803 20 30 EHEDLO Cc1noc2ncc(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc12 ZINC000894083128 1040041234 /nfs/dbraw/zinc/04/12/34/1040041234.db2.gz AKESMITVPWWZOB-RTBURBONSA-N 1 2 332.407 3.803 20 30 EHEDLO C=CC(C)(C)CCCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923965507 1040225182 /nfs/dbraw/zinc/22/51/82/1040225182.db2.gz RCWNMDFWPXDQST-UHFFFAOYSA-N 1 2 330.476 3.660 20 30 EHEDLO N#CCCC[C@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccccc1 ZINC000433019813 1040468715 /nfs/dbraw/zinc/46/87/15/1040468715.db2.gz AQBDJFPHORWCPS-IBGZPJMESA-N 1 2 331.423 3.792 20 30 EHEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411118046 1040472984 /nfs/dbraw/zinc/47/29/84/1040472984.db2.gz DCIYJDYZQYGCOK-MRXNPFEDSA-N 1 2 348.512 3.947 20 30 EHEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411118046 1040472988 /nfs/dbraw/zinc/47/29/88/1040472988.db2.gz DCIYJDYZQYGCOK-MRXNPFEDSA-N 1 2 348.512 3.947 20 30 EHEDLO CCOC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000600120340 1040671800 /nfs/dbraw/zinc/67/18/00/1040671800.db2.gz JNNVYPVXJVJHNY-UYAOXDASSA-N 1 2 349.434 3.530 20 30 EHEDLO CCOC(=O)c1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000600120340 1040671815 /nfs/dbraw/zinc/67/18/15/1040671815.db2.gz JNNVYPVXJVJHNY-UYAOXDASSA-N 1 2 349.434 3.530 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000764884821 1127547784 /nfs/dbraw/zinc/54/77/84/1127547784.db2.gz KDRZMPSWIJWWBT-OAHLLOKOSA-N 1 2 345.516 3.986 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000764884821 1127547788 /nfs/dbraw/zinc/54/77/88/1127547788.db2.gz KDRZMPSWIJWWBT-OAHLLOKOSA-N 1 2 345.516 3.986 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000764884819 1127547968 /nfs/dbraw/zinc/54/79/68/1127547968.db2.gz KDRZMPSWIJWWBT-HNNXBMFYSA-N 1 2 345.516 3.986 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000764884819 1127547970 /nfs/dbraw/zinc/54/79/70/1127547970.db2.gz KDRZMPSWIJWWBT-HNNXBMFYSA-N 1 2 345.516 3.986 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+](CC)CCC)c1=S ZINC000764945413 1127558318 /nfs/dbraw/zinc/55/83/18/1127558318.db2.gz KCDCCKZZOPPAPR-UHFFFAOYSA-N 1 2 346.500 3.965 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+](CC)CCC)c1=S ZINC000764945413 1127558320 /nfs/dbraw/zinc/55/83/20/1127558320.db2.gz KCDCCKZZOPPAPR-UHFFFAOYSA-N 1 2 346.500 3.965 20 30 EHEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1)C1CC1 ZINC000338556878 1127806949 /nfs/dbraw/zinc/80/69/49/1127806949.db2.gz KOMHTGGBSZCRAG-KRWDZBQOSA-N 1 2 339.464 3.926 20 30 EHEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1)C1CC1 ZINC000338556878 1127806952 /nfs/dbraw/zinc/80/69/52/1127806952.db2.gz KOMHTGGBSZCRAG-KRWDZBQOSA-N 1 2 339.464 3.926 20 30 EHEDLO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1cccc(C#N)c1 ZINC000301466091 1128592732 /nfs/dbraw/zinc/59/27/32/1128592732.db2.gz XMATXLYWZVKYOK-AWEZNQCLSA-N 1 2 340.390 3.860 20 30 EHEDLO N#Cc1cc2c(nc1NCc1ccc(-n3cc[nH+]c3)cc1)CCCC2 ZINC000301878116 1128609741 /nfs/dbraw/zinc/60/97/41/1128609741.db2.gz JFQGKLPGJVUCJT-UHFFFAOYSA-N 1 2 329.407 3.630 20 30 EHEDLO N#Cc1cnc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)c(Cl)c1 ZINC000302630097 1128638968 /nfs/dbraw/zinc/63/89/68/1128638968.db2.gz GHHWHHWKWRHFPD-UHFFFAOYSA-N 1 2 347.249 3.730 20 30 EHEDLO N#Cc1cnc(NCC[N@H+]2CCc3c(Cl)cccc3C2)c(Cl)c1 ZINC000302630097 1128638970 /nfs/dbraw/zinc/63/89/70/1128638970.db2.gz GHHWHHWKWRHFPD-UHFFFAOYSA-N 1 2 347.249 3.730 20 30 EHEDLO N#Cc1cnc2ccccc2c1NCc1ccccc1-n1cc[nH+]c1 ZINC000302674723 1128641234 /nfs/dbraw/zinc/64/12/34/1128641234.db2.gz PGFUTFLTPINCIE-UHFFFAOYSA-N 1 2 325.375 3.904 20 30 EHEDLO N#CCCCC[N@@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000609197110 1120543539 /nfs/dbraw/zinc/54/35/39/1120543539.db2.gz LMBXWMCSVWZLLD-UHFFFAOYSA-N 1 2 332.245 3.982 20 30 EHEDLO N#CCCCC[N@H+]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000609197110 1120543541 /nfs/dbraw/zinc/54/35/41/1120543541.db2.gz LMBXWMCSVWZLLD-UHFFFAOYSA-N 1 2 332.245 3.982 20 30 EHEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000112599219 1128932527 /nfs/dbraw/zinc/93/25/27/1128932527.db2.gz KKYQMDLFGJUELY-LBPRGKRZSA-N 1 2 343.814 3.549 20 30 EHEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000112599219 1128932529 /nfs/dbraw/zinc/93/25/29/1128932529.db2.gz KKYQMDLFGJUELY-LBPRGKRZSA-N 1 2 343.814 3.549 20 30 EHEDLO Cc1ccccc1OCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761764927 1120896890 /nfs/dbraw/zinc/89/68/90/1120896890.db2.gz GVQFZEWQARXZSQ-OAQYLSRUSA-N 1 2 336.435 3.709 20 30 EHEDLO Cc1ccccc1OCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761764927 1120896893 /nfs/dbraw/zinc/89/68/93/1120896893.db2.gz GVQFZEWQARXZSQ-OAQYLSRUSA-N 1 2 336.435 3.709 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000914701714 1120956254 /nfs/dbraw/zinc/95/62/54/1120956254.db2.gz NNKYKFISUBLFRP-MOSHPQCFSA-N 1 2 339.395 3.515 20 30 EHEDLO C=CCN(CC=C)C(=O)C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000303203059 1121128926 /nfs/dbraw/zinc/12/89/26/1121128926.db2.gz XVJMSSSFERJCQW-UHFFFAOYSA-N 1 2 332.447 3.870 20 30 EHEDLO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323093 1121652465 /nfs/dbraw/zinc/65/24/65/1121652465.db2.gz FSBLWPKEWNLTAA-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323093 1121652468 /nfs/dbraw/zinc/65/24/68/1121652468.db2.gz FSBLWPKEWNLTAA-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO N#CC1(c2ccc(C(=O)Nc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC000347458779 1121819953 /nfs/dbraw/zinc/81/99/53/1121819953.db2.gz VPMHJLYNIUOAGQ-UHFFFAOYSA-N 1 2 328.375 3.680 20 30 EHEDLO N#Cc1ccccc1-c1ccccc1C(=O)OCCCn1cc[nH+]c1 ZINC000763286263 1121942826 /nfs/dbraw/zinc/94/28/26/1121942826.db2.gz AZDYBNLFPKVUQQ-UHFFFAOYSA-N 1 2 331.375 3.669 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccco1 ZINC000763335446 1121967866 /nfs/dbraw/zinc/96/78/66/1121967866.db2.gz YTADDRBLKLDZDC-CQSZACIVSA-N 1 2 330.457 3.549 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1-c1ccco1 ZINC000763335446 1121967870 /nfs/dbraw/zinc/96/78/70/1121967870.db2.gz YTADDRBLKLDZDC-CQSZACIVSA-N 1 2 330.457 3.549 20 30 EHEDLO CC[N@H+](CCC#N)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000127658513 1122500728 /nfs/dbraw/zinc/50/07/28/1122500728.db2.gz HJDPPCXACXYLJF-UHFFFAOYSA-N 1 2 348.450 3.957 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000127658513 1122500730 /nfs/dbraw/zinc/50/07/30/1122500730.db2.gz HJDPPCXACXYLJF-UHFFFAOYSA-N 1 2 348.450 3.957 20 30 EHEDLO C=C[C@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000128480847 1122606632 /nfs/dbraw/zinc/60/66/32/1122606632.db2.gz CJXZRKKXJYCFDQ-GOSISDBHSA-N 1 2 335.451 3.658 20 30 EHEDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000920175352 1123332679 /nfs/dbraw/zinc/33/26/79/1123332679.db2.gz VSOXSPVKTAOEHM-UYLJDZFGSA-N 1 2 339.395 3.555 20 30 EHEDLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000920175352 1123332683 /nfs/dbraw/zinc/33/26/83/1123332683.db2.gz VSOXSPVKTAOEHM-UYLJDZFGSA-N 1 2 339.395 3.555 20 30 EHEDLO CCOc1ccc(/C=N\Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(O)c1 ZINC000920387622 1123363677 /nfs/dbraw/zinc/36/36/77/1123363677.db2.gz SHPMLHBMPQMDHQ-UUYOSTAYSA-N 1 2 339.370 3.735 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(C(C)=O)c1O ZINC000175604718 1123726190 /nfs/dbraw/zinc/72/61/90/1123726190.db2.gz IFARBOCNSDRMLA-UHFFFAOYSA-N 1 2 338.382 3.794 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(C(C)=O)c1O ZINC000175604718 1123726195 /nfs/dbraw/zinc/72/61/95/1123726195.db2.gz IFARBOCNSDRMLA-UHFFFAOYSA-N 1 2 338.382 3.794 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000616135035 1123948438 /nfs/dbraw/zinc/94/84/38/1123948438.db2.gz CDFHPMVROPGLJL-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000616135035 1123948440 /nfs/dbraw/zinc/94/84/40/1123948440.db2.gz CDFHPMVROPGLJL-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO CCn1c[nH+]cc1/C=C1/CCc2c(Br)cccc2C1=O ZINC000901489409 1124840637 /nfs/dbraw/zinc/84/06/37/1124840637.db2.gz JLNMKUCCXIGBBI-FLIBITNWSA-N 1 2 331.213 3.878 20 30 EHEDLO CN(C)c1cc[nH+]c(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000618224432 1125024499 /nfs/dbraw/zinc/02/44/99/1125024499.db2.gz LGSVRYHQRCHVHP-UHFFFAOYSA-N 1 2 347.422 3.658 20 30 EHEDLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000067132995 1129247016 /nfs/dbraw/zinc/24/70/16/1129247016.db2.gz PVSJKSUDHCRYIB-YWZLYKJASA-N 1 2 345.402 3.857 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117599055 1129454194 /nfs/dbraw/zinc/45/41/94/1129454194.db2.gz RVYXFPXJQDJPKO-UHFFFAOYSA-N 1 2 344.418 3.796 20 30 EHEDLO Cc1cc(Br)cn2c(CNc3cccc(C#N)c3)c[nH+]c12 ZINC000543396415 1129459527 /nfs/dbraw/zinc/45/95/27/1129459527.db2.gz FOSMFPBXTGAMMC-UHFFFAOYSA-N 1 2 341.212 3.889 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000246106230 1130344465 /nfs/dbraw/zinc/34/44/65/1130344465.db2.gz MFOKGMBIKHURPM-XOBRGWDASA-N 1 2 340.398 3.668 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000246106230 1130344470 /nfs/dbraw/zinc/34/44/70/1130344470.db2.gz MFOKGMBIKHURPM-XOBRGWDASA-N 1 2 340.398 3.668 20 30 EHEDLO C=CCOc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1OC ZINC000730148517 1130679315 /nfs/dbraw/zinc/67/93/15/1130679315.db2.gz WAZAKBQQPKUMPX-UHFFFAOYSA-N 1 2 333.391 3.676 20 30 EHEDLO COc1ccc(C=NNc2cc[nH+]c3ccccc23)c(Cl)c1OC ZINC000730433895 1130711391 /nfs/dbraw/zinc/71/13/91/1130711391.db2.gz DADFKZGBYNDDLE-UHFFFAOYSA-N 1 2 341.798 3.773 20 30 EHEDLO C=CC1CC[NH+](Cn2nc(Cc3ccc(OC)cc3)oc2=S)CC1 ZINC000732181136 1130893212 /nfs/dbraw/zinc/89/32/12/1130893212.db2.gz LGVISAYDTFHBRH-UHFFFAOYSA-N 1 2 345.468 3.660 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000732184587 1130894598 /nfs/dbraw/zinc/89/45/98/1130894598.db2.gz ZLOPPLFNEXRUGH-AWEZNQCLSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000732184587 1130894606 /nfs/dbraw/zinc/89/46/06/1130894606.db2.gz ZLOPPLFNEXRUGH-AWEZNQCLSA-N 1 2 331.489 3.597 20 30 EHEDLO C#CCCOc1ccc(C[NH2+]Cc2nc(C)c3ccccc3n2)cc1 ZINC000733327853 1131026661 /nfs/dbraw/zinc/02/66/61/1131026661.db2.gz YHUUHACXDOWGSB-UHFFFAOYSA-N 1 2 331.419 3.630 20 30 EHEDLO C[C@H]1CCCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734001369 1131181750 /nfs/dbraw/zinc/18/17/50/1131181750.db2.gz CDMHIKWGOLZLRY-UONOGXRCSA-N 1 2 327.453 3.737 20 30 EHEDLO C[C@H]1CCCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734001369 1131181753 /nfs/dbraw/zinc/18/17/53/1131181753.db2.gz CDMHIKWGOLZLRY-UONOGXRCSA-N 1 2 327.453 3.737 20 30 EHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(-n4cccn4)cc3)c[nH+]c12 ZINC000741467062 1131605908 /nfs/dbraw/zinc/60/59/08/1131605908.db2.gz DYTCGHVJCSKLOS-MDZDMXLPSA-N 1 2 328.375 3.725 20 30 EHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1OC ZINC000737442963 1131633583 /nfs/dbraw/zinc/63/35/83/1131633583.db2.gz FWHBTBPXPLFLHW-AATRIKPKSA-N 1 2 342.782 3.901 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000743359183 1131901162 /nfs/dbraw/zinc/90/11/62/1131901162.db2.gz UGPRMPCCNCBSFR-RXVVDRJESA-N 1 2 334.463 3.894 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000743359183 1131901169 /nfs/dbraw/zinc/90/11/69/1131901169.db2.gz UGPRMPCCNCBSFR-RXVVDRJESA-N 1 2 334.463 3.894 20 30 EHEDLO N#Cc1cc(Nc2c[nH+]c(N)cc2C(F)(F)F)ccc1N1CCCC1 ZINC001175714306 1132741693 /nfs/dbraw/zinc/74/16/93/1132741693.db2.gz MGJKMNAIYVBYED-UHFFFAOYSA-N 1 2 347.344 3.898 20 30 EHEDLO N#Cc1cc(Nc2ccc3[nH+]cc(Br)n3c2)ccc1F ZINC001176613195 1132971713 /nfs/dbraw/zinc/97/17/13/1132971713.db2.gz SEVMVFSOLMRKBL-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO Cc1nn(-c2ccccc2)c(Cl)c1CNc1cc(CC#N)cc[nH+]1 ZINC000767292151 1132978345 /nfs/dbraw/zinc/97/83/45/1132978345.db2.gz SIWIJAGKKGEIKO-UHFFFAOYSA-N 1 2 337.814 3.907 20 30 EHEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001176815909 1133001418 /nfs/dbraw/zinc/00/14/18/1133001418.db2.gz YNKRPVRZPIESJR-SWLSCSKDSA-N 1 2 345.443 3.927 20 30 EHEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001176815909 1133001424 /nfs/dbraw/zinc/00/14/24/1133001424.db2.gz YNKRPVRZPIESJR-SWLSCSKDSA-N 1 2 345.443 3.927 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000768521537 1133149520 /nfs/dbraw/zinc/14/95/20/1133149520.db2.gz KHWSWILHMTVSLB-UHFFFAOYSA-N 1 2 337.738 3.533 20 30 EHEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000769830527 1133353651 /nfs/dbraw/zinc/35/36/51/1133353651.db2.gz PYZRHQKYPPZVQY-UHFFFAOYSA-N 1 2 341.346 3.530 20 30 EHEDLO CCCc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 ZINC001180671698 1133399648 /nfs/dbraw/zinc/39/96/48/1133399648.db2.gz BUOAMEJEQDBWLZ-BBRMVZONSA-N 1 2 349.500 3.549 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC001181955489 1133555836 /nfs/dbraw/zinc/55/58/36/1133555836.db2.gz DLVXGCVNZSTHJX-GOSISDBHSA-N 1 2 329.827 3.517 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC001181955489 1133555841 /nfs/dbraw/zinc/55/58/41/1133555841.db2.gz DLVXGCVNZSTHJX-GOSISDBHSA-N 1 2 329.827 3.517 20 30 EHEDLO CC(C)N(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C(C)C ZINC001183829070 1133862141 /nfs/dbraw/zinc/86/21/41/1133862141.db2.gz GXPOKWLGFILSAC-LJQANCHMSA-N 1 2 327.472 3.558 20 30 EHEDLO CC(C)N(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)C(C)C ZINC001183829070 1133862147 /nfs/dbraw/zinc/86/21/47/1133862147.db2.gz GXPOKWLGFILSAC-LJQANCHMSA-N 1 2 327.472 3.558 20 30 EHEDLO CCN(CC)c1ccc(Nc2cc(F)c(C#N)cc2[N+](=O)[O-])c[nH+]1 ZINC001184865140 1134000201 /nfs/dbraw/zinc/00/02/01/1134000201.db2.gz NWDRDTFLINVQKC-UHFFFAOYSA-N 1 2 329.335 3.590 20 30 EHEDLO Cc1cc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)ccc1C#N ZINC000774828372 1134027585 /nfs/dbraw/zinc/02/75/85/1134027585.db2.gz ZDQZGUYVYLQHSS-FQEVSTJZSA-N 1 2 334.419 3.575 20 30 EHEDLO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)ccc1C#N ZINC000774828372 1134027591 /nfs/dbraw/zinc/02/75/91/1134027591.db2.gz ZDQZGUYVYLQHSS-FQEVSTJZSA-N 1 2 334.419 3.575 20 30 EHEDLO Cc1cc(CNc2nccc(Oc3cccc(C#N)c3)n2)cc(C)[nH+]1 ZINC001186748823 1134251516 /nfs/dbraw/zinc/25/15/16/1134251516.db2.gz WJMDISQQNQTWEE-UHFFFAOYSA-N 1 2 331.379 3.765 20 30 EHEDLO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1OC ZINC000775081191 1134291543 /nfs/dbraw/zinc/29/15/43/1134291543.db2.gz SQINJUPAARVKRR-GOSISDBHSA-N 1 2 338.407 3.594 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)/C=C\c1ccccc1C#N ZINC000791316885 1134535712 /nfs/dbraw/zinc/53/57/12/1134535712.db2.gz ZGYSVPSMKQFRKO-CLFYSBASSA-N 1 2 343.386 3.809 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(C#N)cc1C ZINC000791417800 1134548309 /nfs/dbraw/zinc/54/83/09/1134548309.db2.gz UDCZKQFAZKJUHR-UHFFFAOYSA-N 1 2 331.375 3.718 20 30 EHEDLO N#Cc1nc2ccc(NC(=O)c3ccccc3-n3cc[nH+]c3)cc2s1 ZINC001190095840 1134654926 /nfs/dbraw/zinc/65/49/26/1134654926.db2.gz ATFYYLCSLNLDKH-UHFFFAOYSA-N 1 2 345.387 3.606 20 30 EHEDLO C=C(C)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001190223922 1134668864 /nfs/dbraw/zinc/66/88/64/1134668864.db2.gz DJHIXPKAPDGBRM-GOSISDBHSA-N 1 2 348.437 3.751 20 30 EHEDLO Cc1cccc(C2(O)CC[NH+](Cc3cccc(F)c3C#N)CC2)c1C ZINC000794385635 1135046661 /nfs/dbraw/zinc/04/66/61/1135046661.db2.gz SLKOWHDNBQLHHF-UHFFFAOYSA-N 1 2 338.426 3.798 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000775677108 1135502904 /nfs/dbraw/zinc/50/29/04/1135502904.db2.gz FYIQFUOQQQLHIR-UHFFFAOYSA-N 1 2 342.826 3.961 20 30 EHEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NN[C@@H]2CCSC2)CC1 ZINC000808001242 1135602441 /nfs/dbraw/zinc/60/24/41/1135602441.db2.gz HRQZKWUAHUBTFJ-CYBMUJFWSA-N 1 2 341.883 3.526 20 30 EHEDLO COCC[N@H+](CCC#N)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809566113 1135851570 /nfs/dbraw/zinc/85/15/70/1135851570.db2.gz GQLWDKJAWBKRAH-UHFFFAOYSA-N 1 2 349.478 3.611 20 30 EHEDLO COCC[N@@H+](CCC#N)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809566113 1135851573 /nfs/dbraw/zinc/85/15/73/1135851573.db2.gz GQLWDKJAWBKRAH-UHFFFAOYSA-N 1 2 349.478 3.611 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000005111199 1135941503 /nfs/dbraw/zinc/94/15/03/1135941503.db2.gz BUOSSYCKBIGQOV-DEDYPNTBSA-N 1 2 339.395 3.515 20 30 EHEDLO CC[NH+](CC)Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000005335192 1135956318 /nfs/dbraw/zinc/95/63/18/1135956318.db2.gz AREUKNJGWLLJHL-DEDYPNTBSA-N 1 2 341.411 3.761 20 30 EHEDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000776154255 1136006281 /nfs/dbraw/zinc/00/62/81/1136006281.db2.gz REGLPNSFNBLHMH-OXQOHEQNSA-N 1 2 346.434 3.763 20 30 EHEDLO C[C@H](COc1ccccc1)N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000811665042 1136118751 /nfs/dbraw/zinc/11/87/51/1136118751.db2.gz KUMMSAGXQXRBNL-MRXNPFEDSA-N 1 2 327.428 3.661 20 30 EHEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170686412 1136247336 /nfs/dbraw/zinc/24/73/36/1136247336.db2.gz ZOIXHSHVVZZTFA-KRWDZBQOSA-N 1 2 327.378 3.633 20 30 EHEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170686412 1136247337 /nfs/dbraw/zinc/24/73/37/1136247337.db2.gz ZOIXHSHVVZZTFA-KRWDZBQOSA-N 1 2 327.378 3.633 20 30 EHEDLO CCCCCC[N@H+](C)CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000813212319 1136302823 /nfs/dbraw/zinc/30/28/23/1136302823.db2.gz BIWKFRDMISKCIY-CQSZACIVSA-N 1 2 341.377 3.789 20 30 EHEDLO CCCCCC[N@@H+](C)CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000813212319 1136302828 /nfs/dbraw/zinc/30/28/28/1136302828.db2.gz BIWKFRDMISKCIY-CQSZACIVSA-N 1 2 341.377 3.789 20 30 EHEDLO C=CCCCS(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000813702898 1136358318 /nfs/dbraw/zinc/35/83/18/1136358318.db2.gz NXWGBIIXONAXRJ-UHFFFAOYSA-N 1 2 346.452 3.561 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000852411965 1136454924 /nfs/dbraw/zinc/45/49/24/1136454924.db2.gz XENYYPBQGOWFON-CABCVRRESA-N 1 2 339.464 3.761 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000852411965 1136454926 /nfs/dbraw/zinc/45/49/26/1136454926.db2.gz XENYYPBQGOWFON-CABCVRRESA-N 1 2 339.464 3.761 20 30 EHEDLO c1cn(-c2ccc(CN=Nc3nnc(-c4ccccc4)s3)cc2)c[nH+]1 ZINC000814949057 1136530956 /nfs/dbraw/zinc/53/09/56/1136530956.db2.gz RPLSSBAIOCHAPX-UHFFFAOYSA-N 1 2 346.419 3.837 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC1CCC(c2nc(C)no2)CC1 ZINC000853432185 1136532077 /nfs/dbraw/zinc/53/20/77/1136532077.db2.gz SNOCYVLMFXCCSZ-UHFFFAOYSA-N 1 2 340.427 3.704 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000112200041 1136611949 /nfs/dbraw/zinc/61/19/49/1136611949.db2.gz CBEIPEOLVGJDOD-UHFFFAOYSA-N 1 2 342.512 3.880 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000112200041 1136611951 /nfs/dbraw/zinc/61/19/51/1136611951.db2.gz CBEIPEOLVGJDOD-UHFFFAOYSA-N 1 2 342.512 3.880 20 30 EHEDLO Cc1[nH]c(CN(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)[nH+]c1C ZINC000862397297 1137142516 /nfs/dbraw/zinc/14/25/16/1137142516.db2.gz FFAQNGFYSIEFBH-LLVKDONJSA-N 1 2 336.361 3.960 20 30 EHEDLO C#CCCOc1ccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000862440766 1137144678 /nfs/dbraw/zinc/14/46/78/1137144678.db2.gz OFNUXWIDZQONCI-UHFFFAOYSA-N 1 2 349.478 3.735 20 30 EHEDLO C#CCCOc1ccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)cc1 ZINC000862440766 1137144679 /nfs/dbraw/zinc/14/46/79/1137144679.db2.gz OFNUXWIDZQONCI-UHFFFAOYSA-N 1 2 349.478 3.735 20 30 EHEDLO Cc1ccc(O[C@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)nc1 ZINC001143732935 1137193150 /nfs/dbraw/zinc/19/31/50/1137193150.db2.gz YPNYLYMVJHHWNT-HNNXBMFYSA-N 1 2 327.815 3.568 20 30 EHEDLO Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)nc1 ZINC001143732935 1137193152 /nfs/dbraw/zinc/19/31/52/1137193152.db2.gz YPNYLYMVJHHWNT-HNNXBMFYSA-N 1 2 327.815 3.568 20 30 EHEDLO CC(C)CCc1nc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000844368452 1137215784 /nfs/dbraw/zinc/21/57/84/1137215784.db2.gz FLTVBLNJMHWQDL-GOSISDBHSA-N 1 2 343.496 3.769 20 30 EHEDLO CC(C)CCc1nc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000844368452 1137215786 /nfs/dbraw/zinc/21/57/86/1137215786.db2.gz FLTVBLNJMHWQDL-GOSISDBHSA-N 1 2 343.496 3.769 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844476551 1137227570 /nfs/dbraw/zinc/22/75/70/1137227570.db2.gz GIRBVCAIKVRCRE-OAHLLOKOSA-N 1 2 341.455 3.521 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844476551 1137227571 /nfs/dbraw/zinc/22/75/71/1137227571.db2.gz GIRBVCAIKVRCRE-OAHLLOKOSA-N 1 2 341.455 3.521 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(OC(F)(F)F)c1 ZINC001144057020 1137235757 /nfs/dbraw/zinc/23/57/57/1137235757.db2.gz RUXHURNNKBWUCO-GFCCVEGCSA-N 1 2 328.334 3.719 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(OC(F)(F)F)c1 ZINC001144057020 1137235758 /nfs/dbraw/zinc/23/57/58/1137235758.db2.gz RUXHURNNKBWUCO-GFCCVEGCSA-N 1 2 328.334 3.719 20 30 EHEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000865453280 1137285105 /nfs/dbraw/zinc/28/51/05/1137285105.db2.gz XUQITJNOPYJNLA-UHFFFAOYSA-N 1 2 328.485 3.668 20 30 EHEDLO C#C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000845601040 1137300676 /nfs/dbraw/zinc/30/06/76/1137300676.db2.gz MEHMXRCYKIJQHU-SWLSCSKDSA-N 1 2 336.313 3.771 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cccc(C#N)c1O ZINC000866243656 1137338807 /nfs/dbraw/zinc/33/88/07/1137338807.db2.gz SDTJJWLUHYCBCO-LSDHHAIUSA-N 1 2 349.434 3.802 20 30 EHEDLO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cccc(C#N)c1O ZINC000866352706 1137348584 /nfs/dbraw/zinc/34/85/84/1137348584.db2.gz RURFTZBXJMSNRB-IRXDYDNUSA-N 1 2 335.451 3.831 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000772937739 1137352073 /nfs/dbraw/zinc/35/20/73/1137352073.db2.gz RQHLVRXIIGTWJK-INIZCTEOSA-N 1 2 336.439 3.975 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001171233157 1137356177 /nfs/dbraw/zinc/35/61/77/1137356177.db2.gz ZMPRRTWZZNWXIZ-APWZRJJASA-N 1 2 347.453 3.685 20 30 EHEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(Br)s1)CC2 ZINC000866621031 1137370536 /nfs/dbraw/zinc/37/05/36/1137370536.db2.gz XHWJHPKJSZXYHH-GFCCVEGCSA-N 1 2 334.242 3.554 20 30 EHEDLO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]ccc(OC)c1C(=O)OC ZINC001171370140 1137458926 /nfs/dbraw/zinc/45/89/26/1137458926.db2.gz SXXKVMRAZNEQMS-CYBMUJFWSA-N 1 2 342.395 3.615 20 30 EHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001172310847 1137545945 /nfs/dbraw/zinc/54/59/45/1137545945.db2.gz KCCXJHXXNSLGCD-MRXNPFEDSA-N 1 2 328.419 3.691 20 30 EHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001172310847 1137545946 /nfs/dbraw/zinc/54/59/46/1137545946.db2.gz KCCXJHXXNSLGCD-MRXNPFEDSA-N 1 2 328.419 3.691 20 30 EHEDLO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057952 1137568670 /nfs/dbraw/zinc/56/86/70/1137568670.db2.gz LHGNSDOBIHRCJA-GFCCVEGCSA-N 1 2 325.343 3.945 20 30 EHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1NC(C)=O ZINC000125366531 1137631843 /nfs/dbraw/zinc/63/18/43/1137631843.db2.gz RPCIRGIFMQWYIL-BQYQJAHWSA-N 1 2 349.390 3.506 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000876635291 1137657762 /nfs/dbraw/zinc/65/77/62/1137657762.db2.gz STMUOLFBDMBVNG-GOSISDBHSA-N 1 2 341.842 3.788 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000876635291 1137657763 /nfs/dbraw/zinc/65/77/63/1137657763.db2.gz STMUOLFBDMBVNG-GOSISDBHSA-N 1 2 341.842 3.788 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000876683393 1137658838 /nfs/dbraw/zinc/65/88/38/1137658838.db2.gz AJJBURDHEYCGGC-KRWDZBQOSA-N 1 2 327.815 3.570 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000876683393 1137658839 /nfs/dbraw/zinc/65/88/39/1137658839.db2.gz AJJBURDHEYCGGC-KRWDZBQOSA-N 1 2 327.815 3.570 20 30 EHEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878514399 1137718490 /nfs/dbraw/zinc/71/84/90/1137718490.db2.gz RZWURGSXUACXED-UHFFFAOYSA-N 1 2 335.407 3.742 20 30 EHEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878514399 1137718491 /nfs/dbraw/zinc/71/84/91/1137718491.db2.gz RZWURGSXUACXED-UHFFFAOYSA-N 1 2 335.407 3.742 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878887340 1137731012 /nfs/dbraw/zinc/73/10/12/1137731012.db2.gz CHMZDHLZBCVXGI-KCZVDYSFSA-N 1 2 347.462 3.859 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878887340 1137731013 /nfs/dbraw/zinc/73/10/13/1137731013.db2.gz CHMZDHLZBCVXGI-KCZVDYSFSA-N 1 2 347.462 3.859 20 30 EHEDLO C#C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)(C)C ZINC000879033137 1137735999 /nfs/dbraw/zinc/73/59/99/1137735999.db2.gz JNIKOUIKTSLKRT-SFHVURJKSA-N 1 2 348.450 3.771 20 30 EHEDLO N#Cc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c(Cl)c1 ZINC000879692600 1137755444 /nfs/dbraw/zinc/75/54/44/1137755444.db2.gz XVXFILOTUIYGIX-KRWDZBQOSA-N 1 2 338.842 3.591 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)c(Cl)c1 ZINC000879692600 1137755445 /nfs/dbraw/zinc/75/54/45/1137755445.db2.gz XVXFILOTUIYGIX-KRWDZBQOSA-N 1 2 338.842 3.591 20 30 EHEDLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000879748498 1137757697 /nfs/dbraw/zinc/75/76/97/1137757697.db2.gz DJRJDFJTFBADGM-GOSISDBHSA-N 1 2 345.406 3.649 20 30 EHEDLO Cc1cncc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000879748498 1137757698 /nfs/dbraw/zinc/75/76/98/1137757698.db2.gz DJRJDFJTFBADGM-GOSISDBHSA-N 1 2 345.406 3.649 20 30 EHEDLO C=CCCC[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000883143235 1137846212 /nfs/dbraw/zinc/84/62/12/1137846212.db2.gz FILDLLOFMQITOJ-SJLPKXTDSA-N 1 2 326.444 3.668 20 30 EHEDLO C=CC(C)(C)CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883789889 1137870317 /nfs/dbraw/zinc/87/03/17/1137870317.db2.gz BLHSDJSHOJKXTD-QGZVFWFLSA-N 1 2 326.444 3.526 20 30 EHEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000886761948 1138134105 /nfs/dbraw/zinc/13/41/05/1138134105.db2.gz NYFVVMALLCJLPB-ZDUSSCGKSA-N 1 2 335.398 3.895 20 30 EHEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc(OC)c1O ZINC000092593876 1138229822 /nfs/dbraw/zinc/22/98/22/1138229822.db2.gz VOIWZHHLQVCMMH-KRWDZBQOSA-N 1 2 345.464 3.764 20 30 EHEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc(OC)c1O ZINC000092593876 1138229824 /nfs/dbraw/zinc/22/98/24/1138229824.db2.gz VOIWZHHLQVCMMH-KRWDZBQOSA-N 1 2 345.464 3.764 20 30 EHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC=C(F)C3)sc2C1 ZINC000334033811 1138363979 /nfs/dbraw/zinc/36/39/79/1138363979.db2.gz MQDHJJRELNQPSA-LBPRGKRZSA-N 1 2 347.459 3.632 20 30 EHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC=C(F)C3)sc2C1 ZINC000334033811 1138363981 /nfs/dbraw/zinc/36/39/81/1138363981.db2.gz MQDHJJRELNQPSA-LBPRGKRZSA-N 1 2 347.459 3.632 20 30 EHEDLO N#CCC1(CNc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000336930594 1138429715 /nfs/dbraw/zinc/42/97/15/1138429715.db2.gz PHRLUVSBRISHQD-UHFFFAOYSA-N 1 2 334.192 3.664 20 30 EHEDLO CC(C)(C)c1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000264172565 1138433770 /nfs/dbraw/zinc/43/37/70/1138433770.db2.gz ZJKYPRUYDBGUNA-UHFFFAOYSA-N 1 2 339.439 3.887 20 30 EHEDLO Cc1cc(C#N)ccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000269721461 1141138184 /nfs/dbraw/zinc/13/81/84/1141138184.db2.gz QCIDOQUHPFNEKC-MRXNPFEDSA-N 1 2 349.434 3.512 20 30 EHEDLO C#CCCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000270875644 1141278437 /nfs/dbraw/zinc/27/84/37/1141278437.db2.gz NETCKDOPYVGSPP-CYBMUJFWSA-N 1 2 332.448 3.535 20 30 EHEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCC(F)(F)F ZINC000271148386 1141314166 /nfs/dbraw/zinc/31/41/66/1141314166.db2.gz ZSCDDLWPQNHDDI-LBPRGKRZSA-N 1 2 330.350 3.618 20 30 EHEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCC(F)(F)F ZINC000271148386 1141314171 /nfs/dbraw/zinc/31/41/71/1141314171.db2.gz ZSCDDLWPQNHDDI-LBPRGKRZSA-N 1 2 330.350 3.618 20 30 EHEDLO CCOc1cccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459394106 1032058944 /nfs/dbraw/zinc/05/89/44/1032058944.db2.gz NQZAGXMONZRGJJ-ZDUSSCGKSA-N 1 2 325.368 3.716 20 30 EHEDLO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1Cl ZINC000064807598 1015004217 /nfs/dbraw/zinc/00/42/17/1015004217.db2.gz DORUAQCURUZQSV-IBGZPJMESA-N 1 2 349.906 3.997 20 30 EHEDLO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1Cl ZINC000064807598 1015004224 /nfs/dbraw/zinc/00/42/24/1015004224.db2.gz DORUAQCURUZQSV-IBGZPJMESA-N 1 2 349.906 3.997 20 30 EHEDLO CCCCCCC[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001626364871 1016142697 /nfs/dbraw/zinc/14/26/97/1016142697.db2.gz WDDNZTJDZHJCEY-QAPCUYQASA-N 1 2 334.508 3.903 20 30 EHEDLO CCCCCCC[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001626364871 1016142705 /nfs/dbraw/zinc/14/27/05/1016142705.db2.gz WDDNZTJDZHJCEY-QAPCUYQASA-N 1 2 334.508 3.903 20 30 EHEDLO N#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000117794179 1016275988 /nfs/dbraw/zinc/27/59/88/1016275988.db2.gz XDBQQIXJHYVTTN-KRWDZBQOSA-N 1 2 336.782 3.520 20 30 EHEDLO C=CCCCCCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000655247022 1016613147 /nfs/dbraw/zinc/61/31/47/1016613147.db2.gz ROLMMWCXCSDJBF-UHFFFAOYSA-N 1 2 338.455 3.873 20 30 EHEDLO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC001167270100 1016904033 /nfs/dbraw/zinc/90/40/33/1016904033.db2.gz BLBRYFXSAIBXJJ-UHFFFAOYSA-N 1 2 330.435 3.993 20 30 EHEDLO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC001167270100 1016904040 /nfs/dbraw/zinc/90/40/40/1016904040.db2.gz BLBRYFXSAIBXJJ-UHFFFAOYSA-N 1 2 330.435 3.993 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nc2c(s1)CCC2 ZINC000459630447 1032347459 /nfs/dbraw/zinc/34/74/59/1032347459.db2.gz HGELXTLKUCWWBA-SNVBAGLBSA-N 1 2 349.406 3.956 20 30 EHEDLO Cc1cc(NCCCCn2cc[nH+]c2)n2c3ccccc3nc2c1C#N ZINC000537090329 1032518550 /nfs/dbraw/zinc/51/85/50/1032518550.db2.gz XSPZPLHYXJMFQU-UHFFFAOYSA-N 1 2 344.422 3.756 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000537253912 1032583623 /nfs/dbraw/zinc/58/36/23/1032583623.db2.gz ZZQFAASENPIDKY-DLBZAZTESA-N 1 2 345.487 3.946 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000172379826 1032627955 /nfs/dbraw/zinc/62/79/55/1032627955.db2.gz ZDQKWBNZWFXXCN-UHFFFAOYSA-N 1 2 326.444 3.760 20 30 EHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582303 1032768936 /nfs/dbraw/zinc/76/89/36/1032768936.db2.gz JVJNULVIKJADSS-UHFFFAOYSA-N 1 2 336.395 3.563 20 30 EHEDLO C(=[NH+]NCCCOc1ccccc1)c1ccc(N2CCCCC2)o1 ZINC000729148245 1019206624 /nfs/dbraw/zinc/20/66/24/1019206624.db2.gz VXRRONRVENQOGM-UHFFFAOYSA-N 1 2 327.428 3.663 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)c1 ZINC000513430155 1019655810 /nfs/dbraw/zinc/65/58/10/1019655810.db2.gz NCZSXLUSOVWCFO-NRFANRHFSA-N 1 2 339.435 3.834 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)c1 ZINC000513430155 1019655821 /nfs/dbraw/zinc/65/58/21/1019655821.db2.gz NCZSXLUSOVWCFO-NRFANRHFSA-N 1 2 339.435 3.834 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3c(Cl)nc4ccccn43)n2c1 ZINC000255228817 1020081605 /nfs/dbraw/zinc/08/16/05/1020081605.db2.gz DNXNAIDAYSIFCS-SREVYHEPSA-N 1 2 336.782 3.840 20 30 EHEDLO CSc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)s1 ZINC000897595429 1032877674 /nfs/dbraw/zinc/87/76/74/1032877674.db2.gz BKSMNZSZZIMBHY-MRXNPFEDSA-N 1 2 330.478 3.915 20 30 EHEDLO CSc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)s1 ZINC000897595429 1032877691 /nfs/dbraw/zinc/87/76/91/1032877691.db2.gz BKSMNZSZZIMBHY-MRXNPFEDSA-N 1 2 330.478 3.915 20 30 EHEDLO O[C@@H]([C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1)C(F)(F)F ZINC000449673516 1033015887 /nfs/dbraw/zinc/01/58/87/1033015887.db2.gz OZLRPNMPDPZABI-UFBFGSQYSA-N 1 2 345.258 3.590 20 30 EHEDLO O[C@@H]([C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1)C(F)(F)F ZINC000449673516 1033015899 /nfs/dbraw/zinc/01/58/99/1033015899.db2.gz OZLRPNMPDPZABI-UFBFGSQYSA-N 1 2 345.258 3.590 20 30 EHEDLO C=CCCCCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000520425407 1022229429 /nfs/dbraw/zinc/22/94/29/1022229429.db2.gz VENATGQHHAOWMI-KRWDZBQOSA-N 1 2 344.503 3.855 20 30 EHEDLO Cc1ccc(-c2nc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)cs2)o1 ZINC000933644666 1022538874 /nfs/dbraw/zinc/53/88/74/1022538874.db2.gz DCPHXBSNXMSEPT-UHFFFAOYSA-N 1 2 344.436 3.549 20 30 EHEDLO C=C[C@@H](C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000638750389 1023017920 /nfs/dbraw/zinc/01/79/20/1023017920.db2.gz SZXXBQHHGUNFMV-SNVBAGLBSA-N 1 2 337.395 3.770 20 30 EHEDLO N#Cc1csc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)n1 ZINC000449731557 1033104391 /nfs/dbraw/zinc/10/43/91/1033104391.db2.gz JBWWSKXJTMSCKJ-UHFFFAOYSA-N 1 2 333.407 3.748 20 30 EHEDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507205340 1023180682 /nfs/dbraw/zinc/18/06/82/1023180682.db2.gz VTNIFFRMNMRAQT-GFCCVEGCSA-N 1 2 326.350 3.677 20 30 EHEDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507205340 1023180685 /nfs/dbraw/zinc/18/06/85/1023180685.db2.gz VTNIFFRMNMRAQT-GFCCVEGCSA-N 1 2 326.350 3.677 20 30 EHEDLO COc1ccccc1-c1csc(C2CC[NH+](CCC#N)CC2)n1 ZINC000276848498 1023213205 /nfs/dbraw/zinc/21/32/05/1023213205.db2.gz ZWUAGJGKGIAPMO-UHFFFAOYSA-N 1 2 327.453 3.912 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(CC)cc1)Cc1cccs1 ZINC000510830769 1023244942 /nfs/dbraw/zinc/24/49/42/1023244942.db2.gz PYRPICBRIBVVIH-UHFFFAOYSA-N 1 2 342.508 3.957 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(CC)cc1)Cc1cccs1 ZINC000510830769 1023244959 /nfs/dbraw/zinc/24/49/59/1023244959.db2.gz PYRPICBRIBVVIH-UHFFFAOYSA-N 1 2 342.508 3.957 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000548492697 1023692537 /nfs/dbraw/zinc/69/25/37/1023692537.db2.gz WRAXYBDDKGOABG-NHYWBVRUSA-N 1 2 340.345 3.508 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000548492697 1023692540 /nfs/dbraw/zinc/69/25/40/1023692540.db2.gz WRAXYBDDKGOABG-NHYWBVRUSA-N 1 2 340.345 3.508 20 30 EHEDLO CC[N@H+](Cc1ccnc(C#N)c1)Cc1cc(Br)ccc1F ZINC000610991233 1023963492 /nfs/dbraw/zinc/96/34/92/1023963492.db2.gz AXOMOROHCSIYEL-UHFFFAOYSA-N 1 2 348.219 3.877 20 30 EHEDLO CC[N@@H+](Cc1ccnc(C#N)c1)Cc1cc(Br)ccc1F ZINC000610991233 1023963500 /nfs/dbraw/zinc/96/35/00/1023963500.db2.gz AXOMOROHCSIYEL-UHFFFAOYSA-N 1 2 348.219 3.877 20 30 EHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1C[C@@]12CCOC2 ZINC000329661708 1024017428 /nfs/dbraw/zinc/01/74/28/1024017428.db2.gz OOOJGGBXHJSRIO-OXJNMPFZSA-N 1 2 335.407 3.616 20 30 EHEDLO Cc1cc(N2CCO[C@@H](c3ccc(C#N)cc3)C2)nc(C2CCC2)[nH+]1 ZINC000896872580 1024182347 /nfs/dbraw/zinc/18/23/47/1024182347.db2.gz JOXJUTPJJUGGPH-GOSISDBHSA-N 1 2 334.423 3.502 20 30 EHEDLO C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000574702466 1024184874 /nfs/dbraw/zinc/18/48/74/1024184874.db2.gz KCIJSVSEXLEDHI-YJBOKZPZSA-N 1 2 349.482 3.851 20 30 EHEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCCC2(CCCCC2)CC1 ZINC000329879403 1024231585 /nfs/dbraw/zinc/23/15/85/1024231585.db2.gz MESKSSRPTSSVMA-INIZCTEOSA-N 1 2 330.476 3.548 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000346313417 1024637496 /nfs/dbraw/zinc/63/74/96/1024637496.db2.gz QHUFTKAGXGQJJW-AWEZNQCLSA-N 1 2 325.437 3.635 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000346313417 1024637502 /nfs/dbraw/zinc/63/75/02/1024637502.db2.gz QHUFTKAGXGQJJW-AWEZNQCLSA-N 1 2 325.437 3.635 20 30 EHEDLO N#Cc1ccc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)nc1 ZINC001211884786 1024664718 /nfs/dbraw/zinc/66/47/18/1024664718.db2.gz HURHFYDUECWIFY-DOTOQJQBSA-N 1 2 331.379 3.559 20 30 EHEDLO N#Cc1csc(C[NH2+]C2(c3cccc(Br)c3)CC2)n1 ZINC000352809023 1024748493 /nfs/dbraw/zinc/74/84/93/1024748493.db2.gz FHXWBSJWVRSCHP-UHFFFAOYSA-N 1 2 334.242 3.556 20 30 EHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C2C3CC4CC(C3)CC2C4)CCO1 ZINC000330337871 1024949689 /nfs/dbraw/zinc/94/96/89/1024949689.db2.gz UOHUHFZOJFEKEM-UCIWZYOESA-N 1 2 343.471 3.669 20 30 EHEDLO CC(C)c1noc([C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602897604 1033249492 /nfs/dbraw/zinc/24/94/92/1033249492.db2.gz MTBLABXUWVVCIC-AWEZNQCLSA-N 1 2 339.443 3.702 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccccc1 ZINC000027776402 1025274093 /nfs/dbraw/zinc/27/40/93/1025274093.db2.gz XTSVNFNGGHLORF-UHFFFAOYSA-N 1 2 346.377 3.915 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccccc1 ZINC000027776402 1025274102 /nfs/dbraw/zinc/27/41/02/1025274102.db2.gz XTSVNFNGGHLORF-UHFFFAOYSA-N 1 2 346.377 3.915 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCc1cccc(Cl)c1)Cc1cccs1 ZINC000060942827 1033278799 /nfs/dbraw/zinc/27/87/99/1033278799.db2.gz UKHLPHWIQGXWDD-UHFFFAOYSA-N 1 2 334.872 3.706 20 30 EHEDLO C=CC[N@H+](CC(=O)NCc1cccc(Cl)c1)Cc1cccs1 ZINC000060942827 1033278815 /nfs/dbraw/zinc/27/88/15/1033278815.db2.gz UKHLPHWIQGXWDD-UHFFFAOYSA-N 1 2 334.872 3.706 20 30 EHEDLO Cc1cncc(-c2nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)no2)c1 ZINC000451060123 1025484326 /nfs/dbraw/zinc/48/43/26/1025484326.db2.gz FKCCKORGCSWLLE-SFHVURJKSA-N 1 2 347.422 3.965 20 30 EHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@H](C#N)C3)c2)c1 ZINC000896506589 1025508196 /nfs/dbraw/zinc/50/81/96/1025508196.db2.gz WIJYEGBJLBILBU-FQEVSTJZSA-N 1 2 331.419 3.873 20 30 EHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](C#N)C3)c2)c1 ZINC000896506589 1025508209 /nfs/dbraw/zinc/50/82/09/1025508209.db2.gz WIJYEGBJLBILBU-FQEVSTJZSA-N 1 2 331.419 3.873 20 30 EHEDLO N#C[C@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc(-c2ccccc2)cs1 ZINC000342443218 1025520299 /nfs/dbraw/zinc/52/02/99/1025520299.db2.gz CJNKFPPZQGCOPV-MRXNPFEDSA-N 1 2 344.399 3.948 20 30 EHEDLO Cc1ccnc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)c1 ZINC000425541336 1025693826 /nfs/dbraw/zinc/69/38/26/1025693826.db2.gz WQOZQQYICYPFAL-AWEZNQCLSA-N 1 2 333.395 3.505 20 30 EHEDLO Cc1ccnc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)c1 ZINC000425541336 1025693832 /nfs/dbraw/zinc/69/38/32/1025693832.db2.gz WQOZQQYICYPFAL-AWEZNQCLSA-N 1 2 333.395 3.505 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)c(C#N)c1C ZINC000505837585 1025784113 /nfs/dbraw/zinc/78/41/13/1025784113.db2.gz FFFREQKEEXOMPL-LENZSSGSSA-N 1 2 349.434 3.884 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)c(C#N)c1C ZINC000505837585 1025784126 /nfs/dbraw/zinc/78/41/26/1025784126.db2.gz FFFREQKEEXOMPL-LENZSSGSSA-N 1 2 349.434 3.884 20 30 EHEDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000185797249 1025903838 /nfs/dbraw/zinc/90/38/38/1025903838.db2.gz QFAKVISIECOJKE-KRWDZBQOSA-N 1 2 337.423 3.544 20 30 EHEDLO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000185797249 1025903853 /nfs/dbraw/zinc/90/38/53/1025903853.db2.gz QFAKVISIECOJKE-KRWDZBQOSA-N 1 2 337.423 3.544 20 30 EHEDLO N#Cc1cccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127723708 1026378394 /nfs/dbraw/zinc/37/83/94/1026378394.db2.gz XBTZISXABXWGQK-SFHVURJKSA-N 1 2 344.361 3.733 20 30 EHEDLO N#Cc1cccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127723708 1026378404 /nfs/dbraw/zinc/37/84/04/1026378404.db2.gz XBTZISXABXWGQK-SFHVURJKSA-N 1 2 344.361 3.733 20 30 EHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000582595144 1026684989 /nfs/dbraw/zinc/68/49/89/1026684989.db2.gz VBXXIVIZSIUHEF-OALUTQOASA-N 1 2 335.455 3.965 20 30 EHEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000342734366 1026896343 /nfs/dbraw/zinc/89/63/43/1026896343.db2.gz KHSWGBAAQBRVKE-UHFFFAOYSA-N 1 2 333.432 3.975 20 30 EHEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000342734366 1026896351 /nfs/dbraw/zinc/89/63/51/1026896351.db2.gz KHSWGBAAQBRVKE-UHFFFAOYSA-N 1 2 333.432 3.975 20 30 EHEDLO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(F)c1 ZINC000075619202 1027180287 /nfs/dbraw/zinc/18/02/87/1027180287.db2.gz PXBNEJGCBYUPLI-UHFFFAOYSA-N 1 2 336.370 3.769 20 30 EHEDLO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(F)c1 ZINC000075619202 1027180296 /nfs/dbraw/zinc/18/02/96/1027180296.db2.gz PXBNEJGCBYUPLI-UHFFFAOYSA-N 1 2 336.370 3.769 20 30 EHEDLO CC(C)[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nc(C2CC2)no1 ZINC000127919088 1027374264 /nfs/dbraw/zinc/37/42/64/1027374264.db2.gz XYWYMMFAUWXXPV-GNZRSQJKSA-N 1 2 336.439 3.858 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444798333 1028271620 /nfs/dbraw/zinc/27/16/20/1028271620.db2.gz ZHXOBAVLUZOJJR-IEBWSBKVSA-N 1 2 347.890 3.921 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444798333 1028271640 /nfs/dbraw/zinc/27/16/40/1028271640.db2.gz ZHXOBAVLUZOJJR-IEBWSBKVSA-N 1 2 347.890 3.921 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444798334 1028271977 /nfs/dbraw/zinc/27/19/77/1028271977.db2.gz ZHXOBAVLUZOJJR-MJGOQNOKSA-N 1 2 347.890 3.921 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444798334 1028271995 /nfs/dbraw/zinc/27/19/95/1028271995.db2.gz ZHXOBAVLUZOJJR-MJGOQNOKSA-N 1 2 347.890 3.921 20 30 EHEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)s1 ZINC000161748583 1028280934 /nfs/dbraw/zinc/28/09/34/1028280934.db2.gz AJVJTMUIYJLDHM-UHFFFAOYSA-N 1 2 331.416 3.608 20 30 EHEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)s1 ZINC000161748583 1028280950 /nfs/dbraw/zinc/28/09/50/1028280950.db2.gz AJVJTMUIYJLDHM-UHFFFAOYSA-N 1 2 331.416 3.608 20 30 EHEDLO NC(=[NH+]OCc1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000729673673 1028347858 /nfs/dbraw/zinc/34/78/58/1028347858.db2.gz AUXSWGGFNBTPPQ-UHFFFAOYSA-N 1 2 341.155 3.564 20 30 EHEDLO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C#N)CC2)cc1 ZINC000057880254 1028374505 /nfs/dbraw/zinc/37/45/05/1028374505.db2.gz DCTJMBDSZDUNKW-HXUWFJFHSA-N 1 2 349.434 3.611 20 30 EHEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000475627461 1028749493 /nfs/dbraw/zinc/74/94/93/1028749493.db2.gz RTGSBDNVFJPOQW-ZDUSSCGKSA-N 1 2 327.236 3.750 20 30 EHEDLO Cc1sc2nc([C@H](C)[NH+]3CCC(C)(C#N)CC3)nc(N)c2c1C ZINC000272479026 1029473763 /nfs/dbraw/zinc/47/37/63/1029473763.db2.gz AVKREBHIYCLBAW-NSHDSACASA-N 1 2 329.473 3.577 20 30 EHEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1)c1cc2ccccc2o1 ZINC000272560100 1029512608 /nfs/dbraw/zinc/51/26/08/1029512608.db2.gz LPIKNXBDAAFKAN-HUUCEWRRSA-N 1 2 339.439 3.624 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000192184720 1029621705 /nfs/dbraw/zinc/62/17/05/1029621705.db2.gz QBAWPFMIJKHJKW-LLVKDONJSA-N 1 2 340.333 3.737 20 30 EHEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(F)(C#N)CC1 ZINC000343222948 1029812630 /nfs/dbraw/zinc/81/26/30/1029812630.db2.gz OMISIIZZIORXIT-UHFFFAOYSA-N 1 2 341.386 3.552 20 30 EHEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000583639296 1030341307 /nfs/dbraw/zinc/34/13/07/1030341307.db2.gz CFNAVBWEDCTTKQ-NXEZZACHSA-N 1 2 347.768 3.968 20 30 EHEDLO C=CC[N@@H+](Cc1c(C)nn(CC)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646269 1030491934 /nfs/dbraw/zinc/49/19/34/1030491934.db2.gz LIRKTEQVJKVEEL-UHFFFAOYSA-N 1 2 328.416 3.616 20 30 EHEDLO C=CC[N@H+](Cc1c(C)nn(CC)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646269 1030491948 /nfs/dbraw/zinc/49/19/48/1030491948.db2.gz LIRKTEQVJKVEEL-UHFFFAOYSA-N 1 2 328.416 3.616 20 30 EHEDLO C[NH+](C)Cc1cccc(C(O)=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000453781844 1030509514 /nfs/dbraw/zinc/50/95/14/1030509514.db2.gz SQMJNQDPCAZNLI-OAHLLOKOSA-N 1 2 341.480 3.992 20 30 EHEDLO CC(C)(C)[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000447839479 1030528339 /nfs/dbraw/zinc/52/83/39/1030528339.db2.gz KMHFOTQXSHGBFO-MRXNPFEDSA-N 1 2 325.374 3.804 20 30 EHEDLO CC(C)(C)[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000447839479 1030528351 /nfs/dbraw/zinc/52/83/51/1030528351.db2.gz KMHFOTQXSHGBFO-MRXNPFEDSA-N 1 2 325.374 3.804 20 30 EHEDLO Cc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc(C(F)(F)F)c1 ZINC001143451519 1030637786 /nfs/dbraw/zinc/63/77/86/1030637786.db2.gz QMYVHVYITIPDFE-CQSZACIVSA-N 1 2 327.371 3.788 20 30 EHEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc(OC)c1O ZINC000093768307 1030666981 /nfs/dbraw/zinc/66/69/81/1030666981.db2.gz VLSMWCBRCYVANG-SFHVURJKSA-N 1 2 345.464 3.764 20 30 EHEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc(OC)c1O ZINC000093768307 1030666992 /nfs/dbraw/zinc/66/69/92/1030666992.db2.gz VLSMWCBRCYVANG-SFHVURJKSA-N 1 2 345.464 3.764 20 30 EHEDLO COc1cc(C[NH2+][C@H](CCc2ccccc2)C(F)F)ccc1C#N ZINC000583782675 1030734822 /nfs/dbraw/zinc/73/48/22/1030734822.db2.gz WYCOZKSQASTQST-QGZVFWFLSA-N 1 2 330.378 3.923 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)c(F)c1 ZINC000343691841 1031958434 /nfs/dbraw/zinc/95/84/34/1031958434.db2.gz LKSDFTUODAVVQI-UHFFFAOYSA-N 1 2 346.409 3.662 20 30 EHEDLO Cc1[nH+]c[nH]c1CN=Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000755520341 1032041347 /nfs/dbraw/zinc/04/13/47/1032041347.db2.gz CEFIREGWDNDLOO-UHFFFAOYSA-N 1 2 334.408 3.836 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CCCCC1 ZINC000594981172 1033617239 /nfs/dbraw/zinc/61/72/39/1033617239.db2.gz JAKTZXVOGXXCCY-UHFFFAOYSA-N 1 2 338.354 3.580 20 30 EHEDLO C[N@@H+]1CC[C@H](N[C@H](C#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000595475337 1033824910 /nfs/dbraw/zinc/82/49/10/1033824910.db2.gz IISXPOXZYTUQMP-IPMKNSEASA-N 1 2 327.378 3.564 20 30 EHEDLO C[N@H+]1CC[C@H](N[C@H](C#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000595475337 1033824922 /nfs/dbraw/zinc/82/49/22/1033824922.db2.gz IISXPOXZYTUQMP-IPMKNSEASA-N 1 2 327.378 3.564 20 30 EHEDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)nc1C ZINC000599371914 1033891414 /nfs/dbraw/zinc/89/14/14/1033891414.db2.gz RYOJZZHEVLOQST-ZDUSSCGKSA-N 1 2 343.452 3.659 20 30 EHEDLO Cc1cc(-c2nnc(C[NH2+]C(C)(C)c3cccc(C#N)c3)o2)c(C)o1 ZINC000595634449 1033911243 /nfs/dbraw/zinc/91/12/43/1033911243.db2.gz CVXNKBLAGWDPCR-UHFFFAOYSA-N 1 2 336.395 3.843 20 30 EHEDLO C=CCC1(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CCCC1 ZINC000456514932 1034526075 /nfs/dbraw/zinc/52/60/75/1034526075.db2.gz XOWQFCQUHGGVNZ-OAHLLOKOSA-N 1 2 329.488 3.891 20 30 EHEDLO C=CCC1(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CCCC1 ZINC000456514932 1034526087 /nfs/dbraw/zinc/52/60/87/1034526087.db2.gz XOWQFCQUHGGVNZ-OAHLLOKOSA-N 1 2 329.488 3.891 20 30 EHEDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1cc(C#N)cs1)CC2 ZINC000179750999 1034593690 /nfs/dbraw/zinc/59/36/90/1034593690.db2.gz VHYHBXOXCFWEPK-UHFFFAOYSA-N 1 2 342.464 3.975 20 30 EHEDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1cc(C#N)cs1)CC2 ZINC000179750999 1034593699 /nfs/dbraw/zinc/59/36/99/1034593699.db2.gz VHYHBXOXCFWEPK-UHFFFAOYSA-N 1 2 342.464 3.975 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1C#N ZINC000534490101 1034615251 /nfs/dbraw/zinc/61/52/51/1034615251.db2.gz VPNFGXXRRIMZJG-IBGZPJMESA-N 1 2 338.382 3.821 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1C#N ZINC000534490101 1034615262 /nfs/dbraw/zinc/61/52/62/1034615262.db2.gz VPNFGXXRRIMZJG-IBGZPJMESA-N 1 2 338.382 3.821 20 30 EHEDLO C[N@H+](CC1(C#N)CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000450832415 1034838888 /nfs/dbraw/zinc/83/88/88/1034838888.db2.gz VRKFRMWACNFPBL-AWEZNQCLSA-N 1 2 335.245 3.898 20 30 EHEDLO C[N@@H+](CC1(C#N)CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000450832415 1034838902 /nfs/dbraw/zinc/83/89/02/1034838902.db2.gz VRKFRMWACNFPBL-AWEZNQCLSA-N 1 2 335.245 3.898 20 30 EHEDLO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(F)c1C#N)CCO2 ZINC000602016676 1034858103 /nfs/dbraw/zinc/85/81/03/1034858103.db2.gz JBDHWGCPAGCQBE-SFHVURJKSA-N 1 2 326.371 3.709 20 30 EHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000588307069 1035899310 /nfs/dbraw/zinc/89/93/10/1035899310.db2.gz CJMKRHHCKDWAKV-UHFFFAOYSA-N 1 2 346.390 3.953 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)CCCC)c1=S ZINC000152156075 1035976183 /nfs/dbraw/zinc/97/61/83/1035976183.db2.gz ZDBPOTUUVHNJHD-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)CCCC)c1=S ZINC000152156075 1035976192 /nfs/dbraw/zinc/97/61/92/1035976192.db2.gz ZDBPOTUUVHNJHD-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO N#Cc1ccc(NCCc2cn3ccccc3[nH+]2)c(Br)c1 ZINC000122408680 1036022448 /nfs/dbraw/zinc/02/24/48/1036022448.db2.gz LOTKDXIIZHOLLC-UHFFFAOYSA-N 1 2 341.212 3.623 20 30 EHEDLO COc1ccc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000609133221 1036572765 /nfs/dbraw/zinc/57/27/65/1036572765.db2.gz QKTLGZQUINQPOJ-UHFFFAOYSA-N 1 2 340.398 3.749 20 30 EHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CCCCC1 ZINC000052077414 1037114159 /nfs/dbraw/zinc/11/41/59/1037114159.db2.gz KQQFMVMXAYXWSR-QGZVFWFLSA-N 1 2 345.874 3.820 20 30 EHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)CCCCC1 ZINC000052077414 1037114173 /nfs/dbraw/zinc/11/41/73/1037114173.db2.gz KQQFMVMXAYXWSR-QGZVFWFLSA-N 1 2 345.874 3.820 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1F ZINC000491406929 1037447078 /nfs/dbraw/zinc/44/70/78/1037447078.db2.gz PDQSSRBLMIYXOS-SFHVURJKSA-N 1 2 340.789 3.524 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000129736949 1037687246 /nfs/dbraw/zinc/68/72/46/1037687246.db2.gz ZKMOHHPJVSQUGY-UHFFFAOYSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000129736949 1037687260 /nfs/dbraw/zinc/68/72/60/1037687260.db2.gz ZKMOHHPJVSQUGY-UHFFFAOYSA-N 1 2 343.500 3.740 20 30 EHEDLO CC#CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000463044829 1037713553 /nfs/dbraw/zinc/71/35/53/1037713553.db2.gz PPBFQTSLGBUQHL-UHFFFAOYSA-N 1 2 346.887 3.632 20 30 EHEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N)c(C(C)C)cc1Cl ZINC000123751261 1038067411 /nfs/dbraw/zinc/06/74/11/1038067411.db2.gz VHHJSFLTWUREQH-GJZGRUSLSA-N 1 2 338.879 3.746 20 30 EHEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N)c(C(C)C)cc1Cl ZINC000123751261 1038067434 /nfs/dbraw/zinc/06/74/34/1038067434.db2.gz VHHJSFLTWUREQH-GJZGRUSLSA-N 1 2 338.879 3.746 20 30 EHEDLO Cc1cc(F)ccc1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000488039053 1038795300 /nfs/dbraw/zinc/79/53/00/1038795300.db2.gz CBNIDRHHGIVPHV-UHFFFAOYSA-N 1 2 345.805 3.730 20 30 EHEDLO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000488039053 1038795322 /nfs/dbraw/zinc/79/53/22/1038795322.db2.gz CBNIDRHHGIVPHV-UHFFFAOYSA-N 1 2 345.805 3.730 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cccc(C#N)c1F ZINC000512416074 1039058072 /nfs/dbraw/zinc/05/80/72/1039058072.db2.gz QXPADKVKDNZKOK-UHFFFAOYSA-N 1 2 339.414 3.857 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cccc(C#N)c1F ZINC000512416074 1039058092 /nfs/dbraw/zinc/05/80/92/1039058092.db2.gz QXPADKVKDNZKOK-UHFFFAOYSA-N 1 2 339.414 3.857 20 30 EHEDLO CCCOc1c(Br)cc(C[NH2+]CCC#N)cc1OCC ZINC000345300004 1039778609 /nfs/dbraw/zinc/77/86/09/1039778609.db2.gz ONTKOKCLLSHHII-UHFFFAOYSA-N 1 2 341.249 3.640 20 30 EHEDLO CC(C)C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccc(C#N)cc1 ZINC000432939947 1040235976 /nfs/dbraw/zinc/23/59/76/1040235976.db2.gz SQKLAYSSCZDBAA-UHFFFAOYSA-N 1 2 325.460 3.632 20 30 EHEDLO CC(C)C[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccc(C#N)cc1 ZINC000432939947 1040235990 /nfs/dbraw/zinc/23/59/90/1040235990.db2.gz SQKLAYSSCZDBAA-UHFFFAOYSA-N 1 2 325.460 3.632 20 30 EHEDLO N#CCCC[C@@H]([NH2+]Cc1ncn(-c2ccccc2)n1)c1ccccc1 ZINC000433019814 1040467680 /nfs/dbraw/zinc/46/76/80/1040467680.db2.gz AQBDJFPHORWCPS-LJQANCHMSA-N 1 2 331.423 3.792 20 30 EHEDLO N#Cc1ccc(C[NH+]2CC(Cc3ccccc3Br)C2)o1 ZINC000600214887 1040854371 /nfs/dbraw/zinc/85/43/71/1040854371.db2.gz FUXYXFRMDVCZPV-UHFFFAOYSA-N 1 2 331.213 3.588 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3\CCc4ccc([N+](=O)[O-])cc4C3=O)n2c1 ZINC000193154499 1040995823 /nfs/dbraw/zinc/99/58/23/1040995823.db2.gz FCDBNDVORYHVOW-RIYZIHGNSA-N 1 2 333.347 3.763 20 30 EHEDLO C=C(C)[C@H]([NH2+]Cc1nc2ccc(OC)nc2[nH]1)c1ccc(F)c(F)c1 ZINC000481584511 1041100619 /nfs/dbraw/zinc/10/06/19/1041100619.db2.gz ZHVMJDQWKIOORE-KRWDZBQOSA-N 1 2 344.365 3.652 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433296441 1041249011 /nfs/dbraw/zinc/24/90/11/1041249011.db2.gz IFFUIBKIUCLTLJ-MRXNPFEDSA-N 1 2 339.826 3.640 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433296441 1041249021 /nfs/dbraw/zinc/24/90/21/1041249021.db2.gz IFFUIBKIUCLTLJ-MRXNPFEDSA-N 1 2 339.826 3.640 20 30 EHEDLO CCCCCCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000105420494 1042866380 /nfs/dbraw/zinc/86/63/80/1042866380.db2.gz VPEUMBZOBGCQKR-UHFFFAOYSA-N 1 2 331.504 3.733 20 30 EHEDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000344086334 1043225831 /nfs/dbraw/zinc/22/58/31/1043225831.db2.gz BSOSFVPFEKBROQ-KUHUBIRLSA-N 1 2 334.398 3.871 20 30 EHEDLO CN(c1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cs1)C1CC1 ZINC000344111201 1043274408 /nfs/dbraw/zinc/27/44/08/1043274408.db2.gz JRPLOZUVEQOILV-UHFFFAOYSA-N 1 2 338.480 3.778 20 30 EHEDLO CN(c1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cs1)C1CC1 ZINC000344111201 1043274419 /nfs/dbraw/zinc/27/44/19/1043274419.db2.gz JRPLOZUVEQOILV-UHFFFAOYSA-N 1 2 338.480 3.778 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nn(CC)c1C ZINC000348872811 1043846986 /nfs/dbraw/zinc/84/69/86/1043846986.db2.gz CUAFLGYUHKUBKK-UHFFFAOYSA-N 1 2 329.492 3.876 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c(C)nn(CC)c1C ZINC000348872811 1043847000 /nfs/dbraw/zinc/84/70/00/1043847000.db2.gz CUAFLGYUHKUBKK-UHFFFAOYSA-N 1 2 329.492 3.876 20 30 EHEDLO C=CCN(CCc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000344515171 1044088106 /nfs/dbraw/zinc/08/81/06/1044088106.db2.gz NCMLJAAXDRJKGM-UHFFFAOYSA-N 1 2 345.446 3.802 20 30 EHEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000432554082 1044196192 /nfs/dbraw/zinc/19/61/92/1044196192.db2.gz BPCPTUASTSFCEH-HNNXBMFYSA-N 1 2 335.517 3.739 20 30 EHEDLO COC(=O)c1oc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000076154276 1125535885 /nfs/dbraw/zinc/53/58/85/1125535885.db2.gz RNGMWCDXUZKGSV-ZWKOTPCHSA-N 1 2 338.407 3.646 20 30 EHEDLO COC(=O)c1oc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000076154276 1125535893 /nfs/dbraw/zinc/53/58/93/1125535893.db2.gz RNGMWCDXUZKGSV-ZWKOTPCHSA-N 1 2 338.407 3.646 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000764928756 1127554024 /nfs/dbraw/zinc/55/40/24/1127554024.db2.gz HIZDRMULTUOZDV-UHFFFAOYSA-N 1 2 346.500 3.821 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000764928756 1127554029 /nfs/dbraw/zinc/55/40/29/1127554029.db2.gz HIZDRMULTUOZDV-UHFFFAOYSA-N 1 2 346.500 3.821 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000764970877 1127558517 /nfs/dbraw/zinc/55/85/17/1127558517.db2.gz HNIDRCJKYFUYPY-MRXNPFEDSA-N 1 2 343.500 3.884 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000764970877 1127558519 /nfs/dbraw/zinc/55/85/19/1127558519.db2.gz HNIDRCJKYFUYPY-MRXNPFEDSA-N 1 2 343.500 3.884 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OCC)cn1 ZINC000671724380 1128133269 /nfs/dbraw/zinc/13/32/69/1128133269.db2.gz GOJWKUALZFWJJH-UHFFFAOYSA-N 1 2 328.460 3.836 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OCC)cn1 ZINC000671724380 1128133271 /nfs/dbraw/zinc/13/32/71/1128133271.db2.gz GOJWKUALZFWJJH-UHFFFAOYSA-N 1 2 328.460 3.836 20 30 EHEDLO N#Cc1cc(Cl)ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301184155 1128577540 /nfs/dbraw/zinc/57/75/40/1128577540.db2.gz IVEXEQNGCQUNTO-LJQANCHMSA-N 1 2 341.842 3.697 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000301335342 1128585429 /nfs/dbraw/zinc/58/54/29/1128585429.db2.gz BXGOENQABYDSKS-SFHVURJKSA-N 1 2 342.393 3.505 20 30 EHEDLO N#Cc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(F)c1 ZINC000302177742 1128623877 /nfs/dbraw/zinc/62/38/77/1128623877.db2.gz RDMVJQVGVDTVCS-UHFFFAOYSA-N 1 2 346.409 3.699 20 30 EHEDLO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CC#N)CC1 ZINC000542878308 1128721677 /nfs/dbraw/zinc/72/16/77/1128721677.db2.gz GHPCZPQRJWTSPY-NSHDSACASA-N 1 2 340.254 3.946 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3cccc(Cl)c3)CCO2)c1 ZINC000761767554 1120900991 /nfs/dbraw/zinc/90/09/91/1120900991.db2.gz ZQZMZKFREFTYLS-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3cccc(Cl)c3)CCO2)c1 ZINC000761767554 1120900995 /nfs/dbraw/zinc/90/09/95/1120900995.db2.gz ZQZMZKFREFTYLS-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO C=CC[N@@H+](Cc1c(Br)cnn1C)CC1CCCCC1 ZINC000494939990 1120912315 /nfs/dbraw/zinc/91/23/15/1120912315.db2.gz SZANAWYJPMBIPX-UHFFFAOYSA-N 1 2 326.282 3.751 20 30 EHEDLO C=CC[N@H+](Cc1c(Br)cnn1C)CC1CCCCC1 ZINC000494939990 1120912319 /nfs/dbraw/zinc/91/23/19/1120912319.db2.gz SZANAWYJPMBIPX-UHFFFAOYSA-N 1 2 326.282 3.751 20 30 EHEDLO CCCCNc1[nH+]c2ccccc2n1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763235539 1121917323 /nfs/dbraw/zinc/91/73/23/1121917323.db2.gz WEMAOAKCAHEUTB-LJQANCHMSA-N 1 2 334.423 3.854 20 30 EHEDLO CC(=[NH+]Nc1cccc2ncccc21)c1cccc(N2CCOCC2)c1 ZINC000915964579 1122009152 /nfs/dbraw/zinc/00/91/52/1122009152.db2.gz DPPGGVOQTYMKDB-UHFFFAOYSA-N 1 2 346.434 3.908 20 30 EHEDLO O=[N+]([O-])c1cccc(N[NH+]=Cc2c(F)cccc2N2CCCC2)c1 ZINC000916268888 1122113425 /nfs/dbraw/zinc/11/34/25/1122113425.db2.gz DARWZJOVQUYKCT-UHFFFAOYSA-N 1 2 328.347 3.780 20 30 EHEDLO Cc1ccc(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000917025873 1122442730 /nfs/dbraw/zinc/44/27/30/1122442730.db2.gz RQUHBGILCIWOAB-UHFFFAOYSA-N 1 2 335.436 3.501 20 30 EHEDLO CCCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100451 1122499077 /nfs/dbraw/zinc/49/90/77/1122499077.db2.gz OGNHVLIATCHMRT-AWEZNQCLSA-N 1 2 327.453 3.737 20 30 EHEDLO CCCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917100451 1122499079 /nfs/dbraw/zinc/49/90/79/1122499079.db2.gz OGNHVLIATCHMRT-AWEZNQCLSA-N 1 2 327.453 3.737 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(C2CCCCC2)CC1 ZINC000917130902 1122527698 /nfs/dbraw/zinc/52/76/98/1122527698.db2.gz AYFYXUKSDYPKAR-UHFFFAOYSA-N 1 2 331.485 3.851 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1cccs1 ZINC000499048483 1123165967 /nfs/dbraw/zinc/16/59/67/1123165967.db2.gz QQBWLDBQNVPLGR-OAHLLOKOSA-N 1 2 326.465 3.714 20 30 EHEDLO C=CC[N@H+](CC(=O)N1c2ccccc2C[C@H]1C)Cc1cccs1 ZINC000499048483 1123165968 /nfs/dbraw/zinc/16/59/68/1123165968.db2.gz QQBWLDBQNVPLGR-OAHLLOKOSA-N 1 2 326.465 3.714 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000734834075 1131283665 /nfs/dbraw/zinc/28/36/65/1131283665.db2.gz BNKCLTWUFCDZPF-UHFFFAOYSA-N 1 2 337.738 3.533 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000618311004 1125044045 /nfs/dbraw/zinc/04/40/45/1125044045.db2.gz KEMYCBJHGSTOCE-AWEZNQCLSA-N 1 2 348.372 3.827 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000618311004 1125044051 /nfs/dbraw/zinc/04/40/51/1125044051.db2.gz KEMYCBJHGSTOCE-AWEZNQCLSA-N 1 2 348.372 3.827 20 30 EHEDLO C[C@@H](c1cccnc1)[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784633 1125403950 /nfs/dbraw/zinc/40/39/50/1125403950.db2.gz GUYBKFIRFCWGEE-KXBFYZLASA-N 1 2 340.858 3.678 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000353957607 1129928624 /nfs/dbraw/zinc/92/86/24/1129928624.db2.gz QTXJWDMSPMKKPN-IAGOWNOFSA-N 1 2 348.372 3.717 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000353957607 1129928626 /nfs/dbraw/zinc/92/86/26/1129928626.db2.gz QTXJWDMSPMKKPN-IAGOWNOFSA-N 1 2 348.372 3.717 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246106219 1130344345 /nfs/dbraw/zinc/34/43/45/1130344345.db2.gz MFOKGMBIKHURPM-VLIAUNLRSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246106219 1130344350 /nfs/dbraw/zinc/34/43/50/1130344350.db2.gz MFOKGMBIKHURPM-VLIAUNLRSA-N 1 2 340.398 3.668 20 30 EHEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)c(C)n1C[C@@H]1CCCO1 ZINC000730146636 1130678393 /nfs/dbraw/zinc/67/83/93/1130678393.db2.gz CJXADYKIDUMVIW-SFHVURJKSA-N 1 2 348.450 3.700 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@H](CC/[NH+]=C/c2ccccc2O)C1 ZINC000730952231 1130753041 /nfs/dbraw/zinc/75/30/41/1130753041.db2.gz UHONZYWKVFIGEB-NPRIEWAGSA-N 1 2 332.444 3.848 20 30 EHEDLO FC(F)(F)c1cccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000739422159 1131501662 /nfs/dbraw/zinc/50/16/62/1131501662.db2.gz TWDWWYXVMGHNJL-UHFFFAOYSA-N 1 2 331.301 3.732 20 30 EHEDLO CC(=[NH+]Nc1ccc(C)cc1)c1c(F)cccc1N1CCOCC1 ZINC000741160696 1131582025 /nfs/dbraw/zinc/58/20/25/1131582025.db2.gz XLASAHBDQBNWOA-UHFFFAOYSA-N 1 2 327.403 3.807 20 30 EHEDLO C=CCOc1ccc(/C=C\C(=O)Nc2cccc3[nH+]ccn32)cc1OC ZINC000741740969 1131638734 /nfs/dbraw/zinc/63/87/34/1131638734.db2.gz ZCOACEZNYHXXGA-NTMALXAHSA-N 1 2 349.390 3.560 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000742397494 1131716446 /nfs/dbraw/zinc/71/64/46/1131716446.db2.gz OAYLVUHFBWGHCT-UHFFFAOYSA-N 1 2 339.402 3.635 20 30 EHEDLO CCCCC[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000742482218 1131735929 /nfs/dbraw/zinc/73/59/29/1131735929.db2.gz FWVYKSYYNMJVLU-SFHVURJKSA-N 1 2 341.499 3.809 20 30 EHEDLO CCCCCCC[C@@H](CCC)[NH2+][C@H](Cc1cncn1C)C(=O)OC ZINC001172507874 1131763487 /nfs/dbraw/zinc/76/34/87/1131763487.db2.gz CHYXCEJRZBHOFI-SJLPKXTDSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCC[C@@H](CCC)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172507874 1131763492 /nfs/dbraw/zinc/76/34/92/1131763492.db2.gz CHYXCEJRZBHOFI-SJLPKXTDSA-N 1 2 337.508 3.623 20 30 EHEDLO C#Cc1cccc(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000743085192 1131856053 /nfs/dbraw/zinc/85/60/53/1131856053.db2.gz VZOLFXGHZDKTST-LJQANCHMSA-N 1 2 344.418 3.507 20 30 EHEDLO CC(=[NH+]Nc1cccc(F)c1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000743442827 1131919734 /nfs/dbraw/zinc/91/97/34/1131919734.db2.gz IITHYCBPXUNOJW-UHFFFAOYSA-N 1 2 349.356 3.777 20 30 EHEDLO COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212699837 1131934871 /nfs/dbraw/zinc/93/48/71/1131934871.db2.gz GTWCUMPKNRQTKC-UHFFFAOYSA-N 1 2 346.390 3.642 20 30 EHEDLO C#CCOc1ccccc1C[NH2+]Cc1c(F)cccc1OC(F)F ZINC000744447728 1132102169 /nfs/dbraw/zinc/10/21/69/1132102169.db2.gz WAIFMHPAKGBITD-UHFFFAOYSA-N 1 2 335.325 3.729 20 30 EHEDLO C[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000745170683 1132212616 /nfs/dbraw/zinc/21/26/16/1132212616.db2.gz JKWUHEDOBLTPKR-UONOGXRCSA-N 1 2 327.453 3.595 20 30 EHEDLO C[C@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000745170683 1132212624 /nfs/dbraw/zinc/21/26/24/1132212624.db2.gz JKWUHEDOBLTPKR-UONOGXRCSA-N 1 2 327.453 3.595 20 30 EHEDLO Cc1cccc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000745448746 1132253391 /nfs/dbraw/zinc/25/33/91/1132253391.db2.gz XDCKKOBWYUFSSS-UHFFFAOYSA-N 1 2 347.418 3.806 20 30 EHEDLO CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000745613914 1132285613 /nfs/dbraw/zinc/28/56/13/1132285613.db2.gz QWHCNEWTGMSXDF-UHFFFAOYSA-N 1 2 348.410 3.767 20 30 EHEDLO C#CC[N@@H+](CC)[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000746456765 1132541588 /nfs/dbraw/zinc/54/15/88/1132541588.db2.gz IAJLQCQZZSYXCE-HXUWFJFHSA-N 1 2 336.435 3.720 20 30 EHEDLO C#CC[N@H+](CC)[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000746456765 1132541594 /nfs/dbraw/zinc/54/15/94/1132541594.db2.gz IAJLQCQZZSYXCE-HXUWFJFHSA-N 1 2 336.435 3.720 20 30 EHEDLO N#Cc1cc(N)c(Nc2ccc(N3CCCC3)[nH+]c2)cc1C(F)(F)F ZINC001175351836 1132645432 /nfs/dbraw/zinc/64/54/32/1132645432.db2.gz CNTDRKJXAGOYMU-UHFFFAOYSA-N 1 2 347.344 3.898 20 30 EHEDLO CN(CCC#N)c1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000121350956 1132775471 /nfs/dbraw/zinc/77/54/71/1132775471.db2.gz AKYOWXXRQNJUJK-UHFFFAOYSA-N 1 2 349.413 3.973 20 30 EHEDLO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001176555003 1132965149 /nfs/dbraw/zinc/96/51/49/1132965149.db2.gz HXVSJSYWGSGYDO-INIZCTEOSA-N 1 2 345.855 3.510 20 30 EHEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001176555003 1132965156 /nfs/dbraw/zinc/96/51/56/1132965156.db2.gz HXVSJSYWGSGYDO-INIZCTEOSA-N 1 2 345.855 3.510 20 30 EHEDLO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001176831519 1133004583 /nfs/dbraw/zinc/00/45/83/1133004583.db2.gz UWLFDSSQPYQXQV-MRXNPFEDSA-N 1 2 344.418 3.614 20 30 EHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc3cc(C)c(C)cc3c2C)C1 ZINC001177758710 1133099379 /nfs/dbraw/zinc/09/93/79/1133099379.db2.gz FJALWUIMNUDIKD-INIZCTEOSA-N 1 2 340.492 3.654 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc3cc(C)c(C)cc3c2C)C1 ZINC001177758710 1133099383 /nfs/dbraw/zinc/09/93/83/1133099383.db2.gz FJALWUIMNUDIKD-INIZCTEOSA-N 1 2 340.492 3.654 20 30 EHEDLO O=C1c2cc(Br)ccc2O/C1=C/c1cccc2[nH+]ccn21 ZINC000769610029 1133321930 /nfs/dbraw/zinc/32/19/30/1133321930.db2.gz MMODCZMFTYAMFC-NTEUORMPSA-N 1 2 341.164 3.713 20 30 EHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1ccccc1N(C)C ZINC000769799283 1133347920 /nfs/dbraw/zinc/34/79/20/1133347920.db2.gz LVKWMSDEHQQGHP-UHFFFAOYSA-N 1 2 333.233 3.746 20 30 EHEDLO C=C(CC(C)C)C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181360855 1133480931 /nfs/dbraw/zinc/48/09/31/1133480931.db2.gz YQSDJSVHPINHAI-UHFFFAOYSA-N 1 2 345.874 3.846 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2F)nc1C)c1ccc(F)cc1 ZINC001182019684 1133568404 /nfs/dbraw/zinc/56/84/04/1133568404.db2.gz AYHLPHNQKRJQEF-LJQANCHMSA-N 1 2 337.373 3.923 20 30 EHEDLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000787648798 1134025370 /nfs/dbraw/zinc/02/53/70/1134025370.db2.gz DCNJAVDSDXFREG-CQSZACIVSA-N 1 2 329.831 3.859 20 30 EHEDLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000787648798 1134025373 /nfs/dbraw/zinc/02/53/73/1134025373.db2.gz DCNJAVDSDXFREG-CQSZACIVSA-N 1 2 329.831 3.859 20 30 EHEDLO N#Cc1cc(F)c(C(F)(F)F)cc1NCc1ccn2cc[nH+]c2c1 ZINC001185756222 1134128719 /nfs/dbraw/zinc/12/87/19/1134128719.db2.gz LUGOJEIIGNUSQE-UHFFFAOYSA-N 1 2 334.276 3.976 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)c(C)cc2OC(F)F)n1 ZINC000789758003 1134327850 /nfs/dbraw/zinc/32/78/50/1134327850.db2.gz GALKKBXHOHFARZ-UHFFFAOYSA-N 1 2 347.409 3.757 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)c(C)cc2OC(F)F)n1 ZINC000789758003 1134327853 /nfs/dbraw/zinc/32/78/53/1134327853.db2.gz GALKKBXHOHFARZ-UHFFFAOYSA-N 1 2 347.409 3.757 20 30 EHEDLO C#CCCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791276504 1134525108 /nfs/dbraw/zinc/52/51/08/1134525108.db2.gz YYTRXFDNJYKKCO-INIZCTEOSA-N 1 2 327.472 3.625 20 30 EHEDLO C#CCCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791276504 1134525112 /nfs/dbraw/zinc/52/51/12/1134525112.db2.gz YYTRXFDNJYKKCO-INIZCTEOSA-N 1 2 327.472 3.625 20 30 EHEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001170383453 1134767287 /nfs/dbraw/zinc/76/72/87/1134767287.db2.gz MJXYFPGKDFTINO-QPIRBTGLSA-N 1 2 338.476 3.665 20 30 EHEDLO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H]3SC(=O)C=C3C2)CC1 ZINC001170383453 1134767293 /nfs/dbraw/zinc/76/72/93/1134767293.db2.gz MJXYFPGKDFTINO-QPIRBTGLSA-N 1 2 338.476 3.665 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000005293046 1134920596 /nfs/dbraw/zinc/92/05/96/1134920596.db2.gz AEGKCGZQKSIRKB-LZNAANCOSA-N 1 2 345.424 3.618 20 30 EHEDLO C=CCCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291972 1134995708 /nfs/dbraw/zinc/99/57/08/1134995708.db2.gz KLMXUROHAQMOJO-HNNXBMFYSA-N 1 2 340.261 3.951 20 30 EHEDLO C=CCCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291972 1134995712 /nfs/dbraw/zinc/99/57/12/1134995712.db2.gz KLMXUROHAQMOJO-HNNXBMFYSA-N 1 2 340.261 3.951 20 30 EHEDLO CCCCCCC[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001192939062 1135079955 /nfs/dbraw/zinc/07/99/55/1135079955.db2.gz WDLVGORKCJGIQZ-FUHWJXTLSA-N 1 2 333.476 3.993 20 30 EHEDLO CCc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1C#N ZINC001197292571 1135674458 /nfs/dbraw/zinc/67/44/58/1135674458.db2.gz MLZMLODEBFLWCB-UHFFFAOYSA-N 1 2 330.391 3.618 20 30 EHEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 ZINC000775791086 1135743431 /nfs/dbraw/zinc/74/34/31/1135743431.db2.gz KYJPNVJXIWKKQQ-VBNZEHGJSA-N 1 2 330.815 3.826 20 30 EHEDLO C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(OCC#N)cc1 ZINC000776170377 1136020512 /nfs/dbraw/zinc/02/05/12/1136020512.db2.gz PAALPYNLVYUWGQ-SNVBAGLBSA-N 1 2 338.304 3.996 20 30 EHEDLO N#CCOc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)cc1 ZINC001212606286 1136020820 /nfs/dbraw/zinc/02/08/20/1136020820.db2.gz WDGVUCDGSNDNDI-UHFFFAOYSA-N 1 2 343.184 3.743 20 30 EHEDLO C#C[C@@H]([NH2+][C@@H](CCCC)C(=O)Nc1cc(C)on1)c1ccc(F)cc1 ZINC000812309603 1136193660 /nfs/dbraw/zinc/19/36/60/1136193660.db2.gz HMYYNFYTJMUJOI-SJORKVTESA-N 1 2 343.402 3.584 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000852320324 1136447805 /nfs/dbraw/zinc/44/78/05/1136447805.db2.gz ZADKGKUSKXGSGY-QGZVFWFLSA-N 1 2 333.435 3.918 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000852320324 1136447808 /nfs/dbraw/zinc/44/78/08/1136447808.db2.gz ZADKGKUSKXGSGY-QGZVFWFLSA-N 1 2 333.435 3.918 20 30 EHEDLO COc1ccccc1CO[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814923491 1136524731 /nfs/dbraw/zinc/52/47/31/1136524731.db2.gz JDPAJBNIIGZWRJ-UHFFFAOYSA-N 1 2 326.396 3.759 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)C1 ZINC000853536966 1136542203 /nfs/dbraw/zinc/54/22/03/1136542203.db2.gz LGCWCPVSJAGBOI-GOSISDBHSA-N 1 2 337.467 3.773 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)C1 ZINC000853536966 1136542205 /nfs/dbraw/zinc/54/22/05/1136542205.db2.gz LGCWCPVSJAGBOI-GOSISDBHSA-N 1 2 337.467 3.773 20 30 EHEDLO N#Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1F ZINC000776725493 1136602714 /nfs/dbraw/zinc/60/27/14/1136602714.db2.gz BUGSCQGPQIOYQK-SNAWJCMRSA-N 1 2 325.730 3.895 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+](CCC)CCc2cccc(F)c2)c1=S ZINC000113246745 1136688402 /nfs/dbraw/zinc/68/84/02/1136688402.db2.gz FXCRONZJXWXKTK-UHFFFAOYSA-N 1 2 348.491 3.960 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+](CCC)CCc2cccc(F)c2)c1=S ZINC000113246745 1136688404 /nfs/dbraw/zinc/68/84/04/1136688404.db2.gz FXCRONZJXWXKTK-UHFFFAOYSA-N 1 2 348.491 3.960 20 30 EHEDLO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136186193 1136906772 /nfs/dbraw/zinc/90/67/72/1136906772.db2.gz FHPZXIXFRTUECR-KDURUIRLSA-N 1 2 348.450 3.583 20 30 EHEDLO C#CCCOc1ccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000857876727 1136916842 /nfs/dbraw/zinc/91/68/42/1136916842.db2.gz KKACKGJAJQGEGA-UHFFFAOYSA-N 1 2 335.451 3.560 20 30 EHEDLO C#CCCOc1ccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)cc1 ZINC000857876727 1136916844 /nfs/dbraw/zinc/91/68/44/1136916844.db2.gz KKACKGJAJQGEGA-UHFFFAOYSA-N 1 2 335.451 3.560 20 30 EHEDLO CC(C)c1cn(C[N@@H+]2CCc3c(CC#N)cccc3C2)c(=S)n1C ZINC000863335931 1137181792 /nfs/dbraw/zinc/18/17/92/1137181792.db2.gz MSIUPJAQCUVQLK-UHFFFAOYSA-N 1 2 340.496 3.761 20 30 EHEDLO CC(C)c1cn(C[N@H+]2CCc3c(CC#N)cccc3C2)c(=S)n1C ZINC000863335931 1137181794 /nfs/dbraw/zinc/18/17/94/1137181794.db2.gz MSIUPJAQCUVQLK-UHFFFAOYSA-N 1 2 340.496 3.761 20 30 EHEDLO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1c(Cl)cccc1C#N ZINC001143719509 1137191741 /nfs/dbraw/zinc/19/17/41/1137191741.db2.gz ZUSNVVSBMPRBPU-UHFFFAOYSA-N 1 2 337.851 3.558 20 30 EHEDLO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1c(Cl)cccc1C#N ZINC001143719509 1137191744 /nfs/dbraw/zinc/19/17/44/1137191744.db2.gz ZUSNVVSBMPRBPU-UHFFFAOYSA-N 1 2 337.851 3.558 20 30 EHEDLO N#Cc1cc(C(F)(F)F)cc(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000865428043 1137282753 /nfs/dbraw/zinc/28/27/53/1137282753.db2.gz NVMKWMCXDRZJCU-UHFFFAOYSA-N 1 2 333.317 3.711 20 30 EHEDLO N#Cc1cccc(C2CC[NH+](Cc3c(F)cc(O)cc3F)CC2)c1 ZINC001144555101 1137308829 /nfs/dbraw/zinc/30/88/29/1137308829.db2.gz VNMGRJNJSNPXIU-UHFFFAOYSA-N 1 2 328.362 3.922 20 30 EHEDLO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cccc(C#N)c1O ZINC000866352708 1137348513 /nfs/dbraw/zinc/34/85/13/1137348513.db2.gz RURFTZBXJMSNRB-SJORKVTESA-N 1 2 335.451 3.831 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001171230354 1137356027 /nfs/dbraw/zinc/35/60/27/1137356027.db2.gz UWKNCFMMLVDRBZ-VLIAUNLRSA-N 1 2 342.389 3.841 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001171230354 1137356028 /nfs/dbraw/zinc/35/60/28/1137356028.db2.gz UWKNCFMMLVDRBZ-VLIAUNLRSA-N 1 2 342.389 3.841 20 30 EHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1nc(Br)ccc1F ZINC000794971796 1137382045 /nfs/dbraw/zinc/38/20/45/1137382045.db2.gz QBKIEFZJMWIEMD-GQCTYLIASA-N 1 2 346.159 3.527 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000847021959 1137382954 /nfs/dbraw/zinc/38/29/54/1137382954.db2.gz DFVFOLJOXYOKQQ-OAHLLOKOSA-N 1 2 342.464 3.576 20 30 EHEDLO C#C[C@@H]1CCC[N@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000847021959 1137382956 /nfs/dbraw/zinc/38/29/56/1137382956.db2.gz DFVFOLJOXYOKQQ-OAHLLOKOSA-N 1 2 342.464 3.576 20 30 EHEDLO CCCCCCCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000870990427 1137517292 /nfs/dbraw/zinc/51/72/92/1137517292.db2.gz YKEYAKNLFKAWFA-UHFFFAOYSA-N 1 2 335.517 3.612 20 30 EHEDLO CC(C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(C#N)c1 ZINC001171911266 1137518005 /nfs/dbraw/zinc/51/80/05/1137518005.db2.gz KYLVRHQOGKOCMU-UHFFFAOYSA-N 1 2 343.390 3.505 20 30 EHEDLO N#Cc1ccc(C2(C(=O)Nc3cccc4[nH+]ccn43)CCCC2)cc1 ZINC000875366108 1137632467 /nfs/dbraw/zinc/63/24/67/1137632467.db2.gz FKUFKGVPNGIQJP-UHFFFAOYSA-N 1 2 330.391 3.656 20 30 EHEDLO C[C@H](CCC#N)C[NH2+][C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000877468460 1137677282 /nfs/dbraw/zinc/67/72/82/1137677282.db2.gz AADLTFAYXHPMLR-APWZRJJASA-N 1 2 328.456 3.613 20 30 EHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878962359 1137733722 /nfs/dbraw/zinc/73/37/22/1137733722.db2.gz QHVWKBSKKPWYLK-UHFFFAOYSA-N 1 2 336.439 3.502 20 30 EHEDLO Cc1ccccc1-c1nc(C[N@H+](C)CCc2cccc(C#N)c2)no1 ZINC000879433908 1137747638 /nfs/dbraw/zinc/74/76/38/1137747638.db2.gz JPYPRVSLGHVQIF-UHFFFAOYSA-N 1 2 332.407 3.591 20 30 EHEDLO Cc1ccccc1-c1nc(C[N@@H+](C)CCc2cccc(C#N)c2)no1 ZINC000879433908 1137747639 /nfs/dbraw/zinc/74/76/39/1137747639.db2.gz JPYPRVSLGHVQIF-UHFFFAOYSA-N 1 2 332.407 3.591 20 30 EHEDLO C=CCCC[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000883587433 1137864567 /nfs/dbraw/zinc/86/45/67/1137864567.db2.gz IQFAQSYYRKEXEE-QZTJIDSGSA-N 1 2 338.455 3.595 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)on1 ZINC000331881668 1137924326 /nfs/dbraw/zinc/92/43/26/1137924326.db2.gz ZSNUGVHUXNRUCK-HNNXBMFYSA-N 1 2 346.228 3.954 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)on1 ZINC000331881668 1137924327 /nfs/dbraw/zinc/92/43/27/1137924327.db2.gz ZSNUGVHUXNRUCK-HNNXBMFYSA-N 1 2 346.228 3.954 20 30 EHEDLO CC[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCS1 ZINC000072861919 1138108600 /nfs/dbraw/zinc/10/86/00/1138108600.db2.gz IAZOAZYKDZLQDD-OAHLLOKOSA-N 1 2 341.480 3.565 20 30 EHEDLO CC[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCS1 ZINC000072861919 1138108601 /nfs/dbraw/zinc/10/86/01/1138108601.db2.gz IAZOAZYKDZLQDD-OAHLLOKOSA-N 1 2 341.480 3.565 20 30 EHEDLO C=CCC1(O)CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000886761339 1138134186 /nfs/dbraw/zinc/13/41/86/1138134186.db2.gz CDKRBXSWZVPKDY-UHFFFAOYSA-N 1 2 328.481 3.637 20 30 EHEDLO CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)CC#N)cc1OC ZINC000093090485 1138234371 /nfs/dbraw/zinc/23/43/71/1138234371.db2.gz CXOZALBRUGMZNA-NSHDSACASA-N 1 2 341.249 3.590 20 30 EHEDLO CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)CC#N)cc1OC ZINC000093090485 1138234372 /nfs/dbraw/zinc/23/43/72/1138234372.db2.gz CXOZALBRUGMZNA-NSHDSACASA-N 1 2 341.249 3.590 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000134080922 1138672241 /nfs/dbraw/zinc/67/22/41/1138672241.db2.gz BXICQPJUCGGMDF-WBMJQRKESA-N 1 2 334.345 3.861 20 30 EHEDLO C#CCCOc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186422489 1140203117 /nfs/dbraw/zinc/20/31/17/1140203117.db2.gz DPEVBKLEWYEFPE-UHFFFAOYSA-N 1 2 342.439 3.682 20 30 EHEDLO O=C1c2cc(C(F)(F)F)cnc2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000777469912 1140437122 /nfs/dbraw/zinc/43/71/22/1140437122.db2.gz PJHGSNNSUAXUSS-FLIBITNWSA-N 1 2 343.308 3.961 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000271021788 1141295299 /nfs/dbraw/zinc/29/52/99/1141295299.db2.gz JHOABIJWIZJQDK-LJQANCHMSA-N 1 2 346.434 3.791 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000271021788 1141295304 /nfs/dbraw/zinc/29/53/04/1141295304.db2.gz JHOABIJWIZJQDK-LJQANCHMSA-N 1 2 346.434 3.791 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc2cccc(C)n12 ZINC000348879005 1141602301 /nfs/dbraw/zinc/60/23/01/1141602301.db2.gz ROBAGJYWDISGMJ-UHFFFAOYSA-N 1 2 337.471 3.998 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc2cccc(C)n12 ZINC000348879005 1141602305 /nfs/dbraw/zinc/60/23/05/1141602305.db2.gz ROBAGJYWDISGMJ-UHFFFAOYSA-N 1 2 337.471 3.998 20 30 EHEDLO C=CCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895546 201138060 /nfs/dbraw/zinc/13/80/60/201138060.db2.gz HODYDRLMFRDEFX-UHFFFAOYSA-N 1 2 346.434 3.770 20 30 EHEDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000175264586 1014233241 /nfs/dbraw/zinc/23/32/41/1014233241.db2.gz IFIKXBBOLGDRHF-WDEREUQCSA-N 1 2 348.859 3.654 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748084903 1015403221 /nfs/dbraw/zinc/40/32/21/1015403221.db2.gz YGIYWBQHFWBWLW-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H](C)CC2)c1=S ZINC000748084903 1015403228 /nfs/dbraw/zinc/40/32/28/1015403228.db2.gz YGIYWBQHFWBWLW-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO N#Cc1ccc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c(F)c1 ZINC000430338449 1016397920 /nfs/dbraw/zinc/39/79/20/1016397920.db2.gz CCGTVCXEUQSWSX-UHFFFAOYSA-N 1 2 346.409 3.732 20 30 EHEDLO N#Cc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c(F)c1 ZINC000430338449 1016397931 /nfs/dbraw/zinc/39/79/31/1016397931.db2.gz CCGTVCXEUQSWSX-UHFFFAOYSA-N 1 2 346.409 3.732 20 30 EHEDLO COc1ccc([C@H]([NH2+][C@H](C)c2cccc(C#N)c2)c2nccn2C)cc1 ZINC000181452293 1016688687 /nfs/dbraw/zinc/68/86/87/1016688687.db2.gz YAHHHSAXAAHVAZ-QRWLVFNGSA-N 1 2 346.434 3.741 20 30 EHEDLO C=C(C)[C@@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccc(F)c(F)c1 ZINC000547833521 1016998383 /nfs/dbraw/zinc/99/83/83/1016998383.db2.gz CNWQDBOAIFIOPL-QGZVFWFLSA-N 1 2 331.366 3.837 20 30 EHEDLO CCOc1cc(C[N@H+](C)CC(C)(C)C#N)cc(Br)c1O ZINC000459593556 1032314745 /nfs/dbraw/zinc/31/47/45/1032314745.db2.gz QGQPSESMMHNKSR-UHFFFAOYSA-N 1 2 341.249 3.535 20 30 EHEDLO CCOc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(Br)c1O ZINC000459593556 1032314756 /nfs/dbraw/zinc/31/47/56/1032314756.db2.gz QGQPSESMMHNKSR-UHFFFAOYSA-N 1 2 341.249 3.535 20 30 EHEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccccc1F ZINC000185422212 1032395878 /nfs/dbraw/zinc/39/58/78/1032395878.db2.gz BNRIDIOTJYDPML-UHFFFAOYSA-N 1 2 343.431 3.649 20 30 EHEDLO COCCC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000528577253 1032457566 /nfs/dbraw/zinc/45/75/66/1032457566.db2.gz LXGWOYNWEXJOHE-UHFFFAOYSA-N 1 2 337.261 3.569 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)cn3)CC2)c(F)c1 ZINC000375751414 1032571687 /nfs/dbraw/zinc/57/16/87/1032571687.db2.gz RQZMCWAFFPNJJC-UHFFFAOYSA-N 1 2 345.805 3.789 20 30 EHEDLO C=CC[C@H]1N(C(=O)Cc2cn3cccc(C)c3[nH+]2)CCCC1(C)C ZINC000683457655 1017227620 /nfs/dbraw/zinc/22/76/20/1017227620.db2.gz FDMJNKCXYASQGU-QGZVFWFLSA-N 1 2 325.456 3.779 20 30 EHEDLO CC[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(C#N)cc1 ZINC000340425783 1017743162 /nfs/dbraw/zinc/74/31/62/1017743162.db2.gz UFRYIGFAWNGVMN-NHYWBVRUSA-N 1 2 345.244 3.913 20 30 EHEDLO C=CCCCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000472848430 1018281933 /nfs/dbraw/zinc/28/19/33/1018281933.db2.gz LVPDXRMKRMFLQA-LJQANCHMSA-N 1 2 340.471 3.897 20 30 EHEDLO Cc1cc(-c2nnc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)o2)c(C)o1 ZINC000594033152 1032821616 /nfs/dbraw/zinc/82/16/16/1032821616.db2.gz WXAYFXPXPWIICM-UHFFFAOYSA-N 1 2 348.406 3.987 20 30 EHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000580725904 1019916779 /nfs/dbraw/zinc/91/67/79/1019916779.db2.gz XZWHJTKMBYSODB-BHYGNILZSA-N 1 2 325.399 3.961 20 30 EHEDLO N#Cc1cnc2ccccc2c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340801119 1020019563 /nfs/dbraw/zinc/01/95/63/1020019563.db2.gz QKWVMHVMTZSYLF-UHFFFAOYSA-N 1 2 345.450 4.000 20 30 EHEDLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000345244857 1020093464 /nfs/dbraw/zinc/09/34/64/1020093464.db2.gz OPWKHWKUAXBZGM-ZDUSSCGKSA-N 1 2 344.821 3.629 20 30 EHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1NC(C)=O ZINC000255232254 1020144291 /nfs/dbraw/zinc/14/42/91/1020144291.db2.gz RPCIRGIFMQWYIL-FPLPWBNLSA-N 1 2 349.390 3.506 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000606920236 1032908334 /nfs/dbraw/zinc/90/83/34/1032908334.db2.gz DMYCTFRJQKUQKQ-UHFFFAOYSA-N 1 2 340.471 3.819 20 30 EHEDLO CC[C@H](CC#N)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000280724803 1020614127 /nfs/dbraw/zinc/61/41/27/1020614127.db2.gz CLNZTEMJVLLEAB-OAHLLOKOSA-N 1 2 337.427 3.700 20 30 EHEDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000516320621 1021279824 /nfs/dbraw/zinc/27/98/24/1021279824.db2.gz VOWCBAGEFYITJW-QGZVFWFLSA-N 1 2 340.448 3.916 20 30 EHEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000516320621 1021279828 /nfs/dbraw/zinc/27/98/28/1021279828.db2.gz VOWCBAGEFYITJW-QGZVFWFLSA-N 1 2 340.448 3.916 20 30 EHEDLO C#Cc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC000933374231 1021520174 /nfs/dbraw/zinc/52/01/74/1021520174.db2.gz YHBMZZVNBZOQQC-INIZCTEOSA-N 1 2 344.846 3.754 20 30 EHEDLO COc1ccc(OC(F)F)c(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897626312 1033015084 /nfs/dbraw/zinc/01/50/84/1033015084.db2.gz XBWFHHITLCYRFR-UHFFFAOYSA-N 1 2 338.379 3.862 20 30 EHEDLO COc1ccc(OC(F)F)c(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897626312 1033015104 /nfs/dbraw/zinc/01/51/04/1033015104.db2.gz XBWFHHITLCYRFR-UHFFFAOYSA-N 1 2 338.379 3.862 20 30 EHEDLO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000026323154 1033015838 /nfs/dbraw/zinc/01/58/38/1033015838.db2.gz NPWRMNNGUDYQLU-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000026323154 1033015850 /nfs/dbraw/zinc/01/58/50/1033015850.db2.gz NPWRMNNGUDYQLU-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO CCCCCC(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441147068 1022025020 /nfs/dbraw/zinc/02/50/20/1022025020.db2.gz LCHARLRRENCHTL-UHFFFAOYSA-N 1 2 346.902 3.852 20 30 EHEDLO C=C1CC[NH+](Cc2csc(-c3cccc(C(=O)OC)c3)n2)CC1 ZINC000441308492 1022140648 /nfs/dbraw/zinc/14/06/48/1022140648.db2.gz GLSVTOCBQGNLTR-UHFFFAOYSA-N 1 2 328.437 3.749 20 30 EHEDLO C#C[C@H]([NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCO1 ZINC000926211495 1022400829 /nfs/dbraw/zinc/40/08/29/1022400829.db2.gz VJXARJOHJUOBIB-ICCXJUOJSA-N 1 2 332.753 3.585 20 30 EHEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(F)c1OC(F)F ZINC000933770024 1022956343 /nfs/dbraw/zinc/95/63/43/1022956343.db2.gz FSFFUVXIRYKHCD-UHFFFAOYSA-N 1 2 326.343 3.992 20 30 EHEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(F)c1OC(F)F ZINC000933770024 1022956332 /nfs/dbraw/zinc/95/63/32/1022956332.db2.gz FSFFUVXIRYKHCD-UHFFFAOYSA-N 1 2 326.343 3.992 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000610604764 1022988425 /nfs/dbraw/zinc/98/84/25/1022988425.db2.gz KOAMXRUWUPADCS-QWRGUYRKSA-N 1 2 340.242 3.870 20 30 EHEDLO COc1ccc(Cl)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507292826 1023237516 /nfs/dbraw/zinc/23/75/16/1023237516.db2.gz OFJVCRMBULENFK-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000507352573 1023262547 /nfs/dbraw/zinc/26/25/47/1023262547.db2.gz KUNXIUHAKLYRKX-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000507352573 1023262554 /nfs/dbraw/zinc/26/25/54/1023262554.db2.gz KUNXIUHAKLYRKX-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(F)c4cccnc34)CCO2)c1 ZINC000341806608 1023345255 /nfs/dbraw/zinc/34/52/55/1023345255.db2.gz DONVJLYMZNZUFL-FQEVSTJZSA-N 1 2 347.393 3.819 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)c4cccnc34)CCO2)c1 ZINC000341806608 1023345264 /nfs/dbraw/zinc/34/52/64/1023345264.db2.gz DONVJLYMZNZUFL-FQEVSTJZSA-N 1 2 347.393 3.819 20 30 EHEDLO N#CCC1(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000602763002 1033135463 /nfs/dbraw/zinc/13/54/63/1033135463.db2.gz IWJRVZKTDXQYDF-HNNXBMFYSA-N 1 2 335.245 3.516 20 30 EHEDLO N#CCC1(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000602763002 1033135468 /nfs/dbraw/zinc/13/54/68/1033135468.db2.gz IWJRVZKTDXQYDF-HNNXBMFYSA-N 1 2 335.245 3.516 20 30 EHEDLO CC(C)[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000610788744 1023518047 /nfs/dbraw/zinc/51/80/47/1023518047.db2.gz KMIKDSLNSUOYMG-SFHVURJKSA-N 1 2 339.464 3.814 20 30 EHEDLO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000610788744 1023518050 /nfs/dbraw/zinc/51/80/50/1023518050.db2.gz KMIKDSLNSUOYMG-SFHVURJKSA-N 1 2 339.464 3.814 20 30 EHEDLO C=CCC[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000341935255 1023707775 /nfs/dbraw/zinc/70/77/75/1023707775.db2.gz YOAXDHZWTPGVTP-ZDUSSCGKSA-N 1 2 325.334 3.972 20 30 EHEDLO C=C1CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000341978876 1023739106 /nfs/dbraw/zinc/73/91/06/1023739106.db2.gz DQNWMPPROWLIPQ-UHFFFAOYSA-N 1 2 331.847 3.547 20 30 EHEDLO N#Cc1cc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccn1 ZINC000610991313 1023962916 /nfs/dbraw/zinc/96/29/16/1023962916.db2.gz FEWDODWMSKDPMF-QWRGUYRKSA-N 1 2 337.267 3.516 20 30 EHEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCCCC12CCCC2 ZINC000329815685 1024205703 /nfs/dbraw/zinc/20/57/03/1024205703.db2.gz NWUSGNRSSHTEDW-INIZCTEOSA-N 1 2 326.444 3.841 20 30 EHEDLO C[C@@H]1CCN(C([O-])=[NH+]c2ncc(C(C)(C)C)s2)C[C@@H]1n1cc[nH+]c1 ZINC000329881873 1024234854 /nfs/dbraw/zinc/23/48/54/1024234854.db2.gz PBSILQUIBKDVFT-OLZOCXBDSA-N 1 2 347.488 3.766 20 30 EHEDLO CC1(CCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000329973821 1024272563 /nfs/dbraw/zinc/27/25/63/1024272563.db2.gz ZRJJMLMFZFGMRQ-UHFFFAOYSA-N 1 2 330.476 3.503 20 30 EHEDLO COC1(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CCC1 ZINC000330054315 1024303293 /nfs/dbraw/zinc/30/32/93/1024303293.db2.gz RUFUFDFMTIVZQI-UHFFFAOYSA-N 1 2 337.489 3.922 20 30 EHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000330201555 1024352330 /nfs/dbraw/zinc/35/23/30/1024352330.db2.gz XYPNVFLEGDWOSE-MLHJIOFPSA-N 1 2 330.476 3.539 20 30 EHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCOC3(CCC3)C2)c1 ZINC000330202610 1024353694 /nfs/dbraw/zinc/35/36/94/1024353694.db2.gz ZNNJVFWFNGLUIE-HNNXBMFYSA-N 1 2 325.412 3.587 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000346146487 1024447343 /nfs/dbraw/zinc/44/73/43/1024447343.db2.gz BRBUSAFEFHCKLR-ZIAGYGMSSA-N 1 2 335.386 3.690 20 30 EHEDLO CCC[C@@H]1C[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330297181 1024451042 /nfs/dbraw/zinc/45/10/42/1024451042.db2.gz KRKNOAUROVCLGN-NVXWUHKLSA-N 1 2 330.476 3.501 20 30 EHEDLO C[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000602865711 1033216916 /nfs/dbraw/zinc/21/69/16/1033216916.db2.gz XNVTVEOXQKZWFI-BDAKNGLRSA-N 1 2 333.741 3.578 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000071959064 1024948340 /nfs/dbraw/zinc/94/83/40/1024948340.db2.gz YDLLHMNTVGFVFT-GOSISDBHSA-N 1 2 339.826 3.987 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000071959064 1024948354 /nfs/dbraw/zinc/94/83/54/1024948354.db2.gz YDLLHMNTVGFVFT-GOSISDBHSA-N 1 2 339.826 3.987 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1OC ZINC000277415980 1025025903 /nfs/dbraw/zinc/02/59/03/1025025903.db2.gz MEBDNYOHIJRUOS-UONOGXRCSA-N 1 2 344.459 3.742 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000157801055 1025148716 /nfs/dbraw/zinc/14/87/16/1025148716.db2.gz GJXVPGISSMDRJU-OAHLLOKOSA-N 1 2 337.261 3.762 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000157801055 1025148720 /nfs/dbraw/zinc/14/87/20/1025148720.db2.gz GJXVPGISSMDRJU-OAHLLOKOSA-N 1 2 337.261 3.762 20 30 EHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1c(Cl)nc2sccn21 ZINC000255492525 1025424002 /nfs/dbraw/zinc/42/40/02/1025424002.db2.gz FFJDSMYMPBEIEO-PLNGDYQASA-N 1 2 328.784 3.593 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1C#N ZINC001141900674 1025612868 /nfs/dbraw/zinc/61/28/68/1025612868.db2.gz BEWGXTRJKRDPCY-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1C#N ZINC001141900674 1025612874 /nfs/dbraw/zinc/61/28/74/1025612874.db2.gz BEWGXTRJKRDPCY-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO C=CCN(CC(F)(F)F)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000582373334 1025992065 /nfs/dbraw/zinc/99/20/65/1025992065.db2.gz OSKMIDFWXDAHHR-UHFFFAOYSA-N 1 2 348.796 3.739 20 30 EHEDLO C=CCN(CC(F)(F)F)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000582373334 1025992072 /nfs/dbraw/zinc/99/20/72/1025992072.db2.gz OSKMIDFWXDAHHR-UHFFFAOYSA-N 1 2 348.796 3.739 20 30 EHEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000934468282 1026254350 /nfs/dbraw/zinc/25/43/50/1026254350.db2.gz WPTASJGRDWTODA-CABCVRRESA-N 1 2 329.469 3.670 20 30 EHEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000934468282 1026254364 /nfs/dbraw/zinc/25/43/64/1026254364.db2.gz WPTASJGRDWTODA-CABCVRRESA-N 1 2 329.469 3.670 20 30 EHEDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428343728 1026737519 /nfs/dbraw/zinc/73/75/19/1026737519.db2.gz CSDLCUFATBIGPY-LJQANCHMSA-N 1 2 340.398 3.870 20 30 EHEDLO C=CC[N@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccc(OC)cc1 ZINC000531493519 1026971790 /nfs/dbraw/zinc/97/17/90/1026971790.db2.gz HZLCXKVHCDIZTF-UHFFFAOYSA-N 1 2 326.440 3.521 20 30 EHEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccc(OC)cc1 ZINC000531493519 1026971796 /nfs/dbraw/zinc/97/17/96/1026971796.db2.gz HZLCXKVHCDIZTF-UHFFFAOYSA-N 1 2 326.440 3.521 20 30 EHEDLO COc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(OC2CCCC2)c1 ZINC000582880129 1028121520 /nfs/dbraw/zinc/12/15/20/1028121520.db2.gz JWLWWVFGBHWVGP-OAHLLOKOSA-N 1 2 327.428 3.550 20 30 EHEDLO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502552798 1028352098 /nfs/dbraw/zinc/35/20/98/1028352098.db2.gz IVWIIMYHQUWUBQ-UHFFFAOYSA-N 1 2 331.419 3.595 20 30 EHEDLO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502552798 1028352115 /nfs/dbraw/zinc/35/21/15/1028352115.db2.gz IVWIIMYHQUWUBQ-UHFFFAOYSA-N 1 2 331.419 3.595 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1 ZINC000069069949 1028418899 /nfs/dbraw/zinc/41/88/99/1028418899.db2.gz OWQNWVYXDVLOMA-KRWDZBQOSA-N 1 2 339.439 3.836 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1 ZINC000069069949 1028418906 /nfs/dbraw/zinc/41/89/06/1028418906.db2.gz OWQNWVYXDVLOMA-KRWDZBQOSA-N 1 2 339.439 3.836 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccsc1 ZINC000127309369 1028538031 /nfs/dbraw/zinc/53/80/31/1028538031.db2.gz NDHXTAVDVXZLPQ-NSHDSACASA-N 1 2 333.844 3.732 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccsc1 ZINC000127309369 1028538050 /nfs/dbraw/zinc/53/80/50/1028538050.db2.gz NDHXTAVDVXZLPQ-NSHDSACASA-N 1 2 333.844 3.732 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000245549103 1028815530 /nfs/dbraw/zinc/81/55/30/1028815530.db2.gz YWQLRWPAAIONOJ-MGPUTAFESA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000245549103 1028815548 /nfs/dbraw/zinc/81/55/48/1028815548.db2.gz YWQLRWPAAIONOJ-MGPUTAFESA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@]1(C#N)CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000614991392 1029198081 /nfs/dbraw/zinc/19/80/81/1029198081.db2.gz QPEPYMLXVIAQTP-OAHLLOKOSA-N 1 2 341.224 3.593 20 30 EHEDLO C[C@]1(C#N)CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000614991392 1029198093 /nfs/dbraw/zinc/19/80/93/1029198093.db2.gz QPEPYMLXVIAQTP-OAHLLOKOSA-N 1 2 341.224 3.593 20 30 EHEDLO CCCOc1cccc2c(N3CCC(C#N)(COC)CC3)cc[nH+]c12 ZINC000343146393 1029462827 /nfs/dbraw/zinc/46/28/27/1029462827.db2.gz ZTVUKUOYSWTWMW-UHFFFAOYSA-N 1 2 339.439 3.780 20 30 EHEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1cc2ccccc2o1 ZINC000272560096 1029513554 /nfs/dbraw/zinc/51/35/54/1029513554.db2.gz LPIKNXBDAAFKAN-GJZGRUSLSA-N 1 2 339.439 3.624 20 30 EHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000533280526 1029590853 /nfs/dbraw/zinc/59/08/53/1029590853.db2.gz IBTCAIIVTBCKTR-ZDUSSCGKSA-N 1 2 337.261 3.737 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000272331431 1029810342 /nfs/dbraw/zinc/81/03/42/1029810342.db2.gz WPCGAUAOIBRTDM-HNNXBMFYSA-N 1 2 333.432 3.627 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000272331431 1029810351 /nfs/dbraw/zinc/81/03/51/1029810351.db2.gz WPCGAUAOIBRTDM-HNNXBMFYSA-N 1 2 333.432 3.627 20 30 EHEDLO COc1ccsc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446913686 1029852558 /nfs/dbraw/zinc/85/25/58/1029852558.db2.gz VAXXJBRVOSFCJB-UHFFFAOYSA-N 1 2 347.871 3.604 20 30 EHEDLO N#CCCC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000458592842 1030158576 /nfs/dbraw/zinc/15/85/76/1030158576.db2.gz XKXJGCUKQSEJMO-GOSISDBHSA-N 1 2 347.422 3.569 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000159835226 1030386757 /nfs/dbraw/zinc/38/67/57/1030386757.db2.gz MPAWHYYBFKWAGD-UHFFFAOYSA-N 1 2 335.382 3.612 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1OC ZINC000092594236 1030492718 /nfs/dbraw/zinc/49/27/18/1030492718.db2.gz DHQHHEAGACZZNE-GOSISDBHSA-N 1 2 345.464 3.895 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1OC ZINC000092594236 1030492727 /nfs/dbraw/zinc/49/27/27/1030492727.db2.gz DHQHHEAGACZZNE-GOSISDBHSA-N 1 2 345.464 3.895 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000482897353 1030798709 /nfs/dbraw/zinc/79/87/09/1030798709.db2.gz YQAUEEXUXINRKY-LJQANCHMSA-N 1 2 337.398 3.863 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000482897353 1030798729 /nfs/dbraw/zinc/79/87/29/1030798729.db2.gz YQAUEEXUXINRKY-LJQANCHMSA-N 1 2 337.398 3.863 20 30 EHEDLO CN(C)c1[nH+]ccc2cc(NC(=O)N[C@H]3CC[C@@H](CC#N)C3)ccc21 ZINC000603023426 1033317114 /nfs/dbraw/zinc/31/71/14/1033317114.db2.gz UYYZVHHZOCOIAX-ZFWWWQNUSA-N 1 2 337.427 3.505 20 30 EHEDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000598947517 1033585669 /nfs/dbraw/zinc/58/56/69/1033585669.db2.gz CSCARFRRHCUMCE-HNNXBMFYSA-N 1 2 333.435 3.831 20 30 EHEDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000598947517 1033585682 /nfs/dbraw/zinc/58/56/82/1033585682.db2.gz CSCARFRRHCUMCE-HNNXBMFYSA-N 1 2 333.435 3.831 20 30 EHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)nc1C ZINC000599371913 1033892585 /nfs/dbraw/zinc/89/25/85/1033892585.db2.gz RYOJZZHEVLOQST-CYBMUJFWSA-N 1 2 343.452 3.659 20 30 EHEDLO CSc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000595632342 1033909117 /nfs/dbraw/zinc/90/91/17/1033909117.db2.gz NZVYUFPLMLTJSO-UHFFFAOYSA-N 1 2 329.494 3.664 20 30 EHEDLO Cc1ccccc1-c1noc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677374 1034084254 /nfs/dbraw/zinc/08/42/54/1034084254.db2.gz YLLSEYRYQFYWLK-UHFFFAOYSA-N 1 2 344.418 3.669 20 30 EHEDLO Cc1ccccc1-c1noc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677374 1034084267 /nfs/dbraw/zinc/08/42/67/1034084267.db2.gz YLLSEYRYQFYWLK-UHFFFAOYSA-N 1 2 344.418 3.669 20 30 EHEDLO COC[C@@H](C)[N@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000599683719 1034112336 /nfs/dbraw/zinc/11/23/36/1034112336.db2.gz UOVZODBAQBCURR-DYVFJYSZSA-N 1 2 327.453 3.539 20 30 EHEDLO COC[C@@H](C)[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000599683719 1034112340 /nfs/dbraw/zinc/11/23/40/1034112340.db2.gz UOVZODBAQBCURR-DYVFJYSZSA-N 1 2 327.453 3.539 20 30 EHEDLO CN(C)c1nc(N[C@H](CCC#N)c2ccccc2)[nH+]c2ccccc21 ZINC000450384525 1034241338 /nfs/dbraw/zinc/24/13/38/1034241338.db2.gz BKQUQUTUVAXKST-QGZVFWFLSA-N 1 2 331.423 3.575 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C#N)CC2)cc1 ZINC000057907676 1034261071 /nfs/dbraw/zinc/26/10/71/1034261071.db2.gz NFNFYJDRJWALNL-FQEVSTJZSA-N 1 2 333.435 3.910 20 30 EHEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000534649149 1034753755 /nfs/dbraw/zinc/75/37/55/1034753755.db2.gz ZLWUTTBBSPBDLB-GOSISDBHSA-N 1 2 340.492 3.752 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1C#N ZINC000186843782 1034830015 /nfs/dbraw/zinc/83/00/15/1034830015.db2.gz NCYOYTAVJFPYJK-UHFFFAOYSA-N 1 2 339.826 3.732 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1C#N ZINC000186843782 1034830025 /nfs/dbraw/zinc/83/00/25/1034830025.db2.gz NCYOYTAVJFPYJK-UHFFFAOYSA-N 1 2 339.826 3.732 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000092068981 1035209021 /nfs/dbraw/zinc/20/90/21/1035209021.db2.gz QFZBWSFLRVMVFJ-UHFFFAOYSA-N 1 2 339.361 3.636 20 30 EHEDLO C=CCOc1ccccc1C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000092068981 1035209025 /nfs/dbraw/zinc/20/90/25/1035209025.db2.gz QFZBWSFLRVMVFJ-UHFFFAOYSA-N 1 2 339.361 3.636 20 30 EHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000340912462 1035284509 /nfs/dbraw/zinc/28/45/09/1035284509.db2.gz RPMKXNZLFDDMML-NPMABZOXSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000340912462 1035284514 /nfs/dbraw/zinc/28/45/14/1035284514.db2.gz RPMKXNZLFDDMML-NPMABZOXSA-N 1 2 330.428 3.628 20 30 EHEDLO Cc1cccn2cc(Cc3noc(/C=C/c4ccccc4C#N)n3)[nH+]c12 ZINC000612918787 1035295970 /nfs/dbraw/zinc/29/59/70/1035295970.db2.gz OIKSQZAPMAQFTF-CMDGGOBGSA-N 1 2 341.374 3.659 20 30 EHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000340912453 1035400071 /nfs/dbraw/zinc/40/00/71/1035400071.db2.gz RPMKXNZLFDDMML-JCQPUDPBSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000340912453 1035400074 /nfs/dbraw/zinc/40/00/74/1035400074.db2.gz RPMKXNZLFDDMML-JCQPUDPBSA-N 1 2 330.428 3.628 20 30 EHEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1ccncc1 ZINC000187287155 1035802106 /nfs/dbraw/zinc/80/21/06/1035802106.db2.gz SWBKSTZHBUFUQX-UHFFFAOYSA-N 1 2 337.452 3.830 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c1C#N ZINC000535208673 1036165208 /nfs/dbraw/zinc/16/52/08/1036165208.db2.gz YETTZHKQWZQLJM-KBXCAEBGSA-N 1 2 338.407 3.911 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c1C#N ZINC000535208673 1036165222 /nfs/dbraw/zinc/16/52/22/1036165222.db2.gz YETTZHKQWZQLJM-KBXCAEBGSA-N 1 2 338.407 3.911 20 30 EHEDLO C=CCC(CC=C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000177097146 1036767218 /nfs/dbraw/zinc/76/72/18/1036767218.db2.gz DEMWMWDSZHQCAX-KRWDZBQOSA-N 1 2 342.483 3.669 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000174659448 1036884879 /nfs/dbraw/zinc/88/48/79/1036884879.db2.gz BSRQXFQADXGJNA-AWEZNQCLSA-N 1 2 341.459 3.568 20 30 EHEDLO CSC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000311188248 1037545422 /nfs/dbraw/zinc/54/54/22/1037545422.db2.gz DDWNODCKLYJKOV-UHFFFAOYSA-N 1 2 325.275 3.648 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3nccn3Cc3ccccc3)CC2)c1 ZINC000341210230 1037768328 /nfs/dbraw/zinc/76/83/28/1037768328.db2.gz FRXOLBMQAPJCDY-UHFFFAOYSA-N 1 2 328.419 3.582 20 30 EHEDLO COC(=O)c1cccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c1C#N ZINC000539315091 1038769719 /nfs/dbraw/zinc/76/97/19/1038769719.db2.gz CXUVQKZFPGNBMU-UHFFFAOYSA-N 1 2 340.810 3.777 20 30 EHEDLO Cc1csc([C@H](C#N)C(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000553987293 1038783187 /nfs/dbraw/zinc/78/31/87/1038783187.db2.gz PPDVRBCMEBPPLZ-MRXNPFEDSA-N 1 2 325.437 3.537 20 30 EHEDLO CC[N@H+](Cc1ccccc1Cl)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000488558268 1039273913 /nfs/dbraw/zinc/27/39/13/1039273913.db2.gz WZVYGOKIMFQRQJ-OAHLLOKOSA-N 1 2 347.890 3.893 20 30 EHEDLO CC[N@@H+](Cc1ccccc1Cl)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000488558268 1039273928 /nfs/dbraw/zinc/27/39/28/1039273928.db2.gz WZVYGOKIMFQRQJ-OAHLLOKOSA-N 1 2 347.890 3.893 20 30 EHEDLO Cc1cc(C)c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000906567575 1039650034 /nfs/dbraw/zinc/65/00/34/1039650034.db2.gz XILWXJONNZEHHS-UHFFFAOYSA-N 1 2 349.434 3.562 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(CC)c1nc2ccccc2s1 ZINC000489493580 1040037900 /nfs/dbraw/zinc/03/79/00/1040037900.db2.gz HXGABXTVSWOEHI-CQSZACIVSA-N 1 2 329.469 3.690 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(CC)c1nc2ccccc2s1 ZINC000489493580 1040037920 /nfs/dbraw/zinc/03/79/20/1040037920.db2.gz HXGABXTVSWOEHI-CQSZACIVSA-N 1 2 329.469 3.690 20 30 EHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000567516736 1040037784 /nfs/dbraw/zinc/03/77/84/1040037784.db2.gz HNBYHKIAJLQGDZ-UYAOXDASSA-N 1 2 327.472 3.706 20 30 EHEDLO Cc1noc2ncc(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc12 ZINC000894083126 1040042078 /nfs/dbraw/zinc/04/20/78/1040042078.db2.gz AKESMITVPWWZOB-OALUTQOASA-N 1 2 332.407 3.803 20 30 EHEDLO Cc1noc2ncc(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc12 ZINC000894083126 1040042093 /nfs/dbraw/zinc/04/20/93/1040042093.db2.gz AKESMITVPWWZOB-OALUTQOASA-N 1 2 332.407 3.803 20 30 EHEDLO Nc1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)c[nH+]1 ZINC000899342235 1040340408 /nfs/dbraw/zinc/34/04/08/1040340408.db2.gz SKSVLDKKSLDTGH-YWEYNIOJSA-N 1 2 325.387 3.689 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000411174580 1040534247 /nfs/dbraw/zinc/53/42/47/1040534247.db2.gz AZAUGUPABGFKQE-FQEVSTJZSA-N 1 2 338.451 3.513 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000411174580 1040534266 /nfs/dbraw/zinc/53/42/66/1040534266.db2.gz AZAUGUPABGFKQE-FQEVSTJZSA-N 1 2 338.451 3.513 20 30 EHEDLO N#Cc1cccc(COc2cccc(C[NH+]3CC4(C3)CCCO4)c2)c1 ZINC000600188626 1040779515 /nfs/dbraw/zinc/77/95/15/1040779515.db2.gz ADDLETGQKMOJSB-UHFFFAOYSA-N 1 2 334.419 3.502 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660430147 1041294464 /nfs/dbraw/zinc/29/44/64/1041294464.db2.gz RCAMROOBVSWHNB-GFCCVEGCSA-N 1 2 348.244 3.549 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000660430147 1041294473 /nfs/dbraw/zinc/29/44/73/1041294473.db2.gz RCAMROOBVSWHNB-GFCCVEGCSA-N 1 2 348.244 3.549 20 30 EHEDLO C=CCN1CC[C@H]([N@H+](C)Cc2sc3ccccc3c2Cl)C1=O ZINC000500017517 1041413000 /nfs/dbraw/zinc/41/30/00/1041413000.db2.gz JNJGEGYRMPHVPZ-ZDUSSCGKSA-N 1 2 334.872 3.773 20 30 EHEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)C1=O ZINC000500017517 1041413011 /nfs/dbraw/zinc/41/30/11/1041413011.db2.gz JNJGEGYRMPHVPZ-ZDUSSCGKSA-N 1 2 334.872 3.773 20 30 EHEDLO CC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000661936724 1042417691 /nfs/dbraw/zinc/41/76/91/1042417691.db2.gz NIOOEUZTOSSUCM-QGZVFWFLSA-N 1 2 342.874 3.750 20 30 EHEDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)n2c1 ZINC000093872543 1042566196 /nfs/dbraw/zinc/56/61/96/1042566196.db2.gz LRYDRKKVVCRAGO-VQTJNVASSA-N 1 2 330.435 3.915 20 30 EHEDLO Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)n2c1 ZINC000093872543 1042566200 /nfs/dbraw/zinc/56/62/00/1042566200.db2.gz LRYDRKKVVCRAGO-VQTJNVASSA-N 1 2 330.435 3.915 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000188272208 1042583484 /nfs/dbraw/zinc/58/34/84/1042583484.db2.gz QALJXPKNXUXEKT-OXJNMPFZSA-N 1 2 330.472 3.503 20 30 EHEDLO CCn1c(C)cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000344123517 1043286430 /nfs/dbraw/zinc/28/64/30/1043286430.db2.gz URRRCQVUTKKFDY-UHFFFAOYSA-N 1 2 335.451 3.844 20 30 EHEDLO CCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000344123517 1043286438 /nfs/dbraw/zinc/28/64/38/1043286438.db2.gz URRRCQVUTKKFDY-UHFFFAOYSA-N 1 2 335.451 3.844 20 30 EHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)o1 ZINC000076152668 1125539806 /nfs/dbraw/zinc/53/98/06/1125539806.db2.gz WSUFGLKWRUUMOE-ZWKOTPCHSA-N 1 2 338.407 3.646 20 30 EHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)o1 ZINC000076152668 1125539808 /nfs/dbraw/zinc/53/98/08/1125539808.db2.gz WSUFGLKWRUUMOE-ZWKOTPCHSA-N 1 2 338.407 3.646 20 30 EHEDLO CCOc1c(C[N@H+](C)Cc2ccc(C#N)cc2)c(C)nn1CC(C)C ZINC000131156600 1126821892 /nfs/dbraw/zinc/82/18/92/1126821892.db2.gz GXSJHMKAJUWCPO-UHFFFAOYSA-N 1 2 340.471 3.750 20 30 EHEDLO CCOc1c(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)nn1CC(C)C ZINC000131156600 1126821895 /nfs/dbraw/zinc/82/18/95/1126821895.db2.gz GXSJHMKAJUWCPO-UHFFFAOYSA-N 1 2 340.471 3.750 20 30 EHEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1Oc1ccc(C)cc1)C1CC1 ZINC000763950473 1126955575 /nfs/dbraw/zinc/95/55/75/1126955575.db2.gz WAHKECVQUOJMBA-UHFFFAOYSA-N 1 2 334.419 3.823 20 30 EHEDLO C#CC[N@H+](CC(=O)Nc1ccccc1Oc1ccc(C)cc1)C1CC1 ZINC000763950473 1126955576 /nfs/dbraw/zinc/95/55/76/1126955576.db2.gz WAHKECVQUOJMBA-UHFFFAOYSA-N 1 2 334.419 3.823 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000764879734 1127547383 /nfs/dbraw/zinc/54/73/83/1127547383.db2.gz PMBGNZNQAFTHOR-AWEZNQCLSA-N 1 2 345.516 3.986 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000764879734 1127547385 /nfs/dbraw/zinc/54/73/85/1127547385.db2.gz PMBGNZNQAFTHOR-AWEZNQCLSA-N 1 2 345.516 3.986 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000553066977 1128159238 /nfs/dbraw/zinc/15/92/38/1128159238.db2.gz XLJHHVKUSOHKMG-IBGZPJMESA-N 1 2 342.393 3.505 20 30 EHEDLO CC[C@H](CSC)[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091099405 1128449607 /nfs/dbraw/zinc/44/96/07/1128449607.db2.gz ZGLJFISINGMNJJ-OAHLLOKOSA-N 1 2 328.485 3.626 20 30 EHEDLO CC[C@H](CSC)[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091099405 1128449609 /nfs/dbraw/zinc/44/96/09/1128449609.db2.gz ZGLJFISINGMNJJ-OAHLLOKOSA-N 1 2 328.485 3.626 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCCc1cn2ccccc2[nH+]1 ZINC000301365542 1128587789 /nfs/dbraw/zinc/58/77/89/1128587789.db2.gz SETISJPTKLPOAN-UHFFFAOYSA-N 1 2 345.381 3.856 20 30 EHEDLO Cc1ccccc1OCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761764926 1120897058 /nfs/dbraw/zinc/89/70/58/1120897058.db2.gz GVQFZEWQARXZSQ-NRFANRHFSA-N 1 2 336.435 3.709 20 30 EHEDLO Cc1ccccc1OCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761764926 1120897065 /nfs/dbraw/zinc/89/70/65/1120897065.db2.gz GVQFZEWQARXZSQ-NRFANRHFSA-N 1 2 336.435 3.709 20 30 EHEDLO CCOc1cccc(/C=[NH+]/CCCOCCc2ccccc2)c1O ZINC000917557344 1122636681 /nfs/dbraw/zinc/63/66/81/1122636681.db2.gz GWVVGACAIXTWLR-LTGZKZEYSA-N 1 2 327.424 3.859 20 30 EHEDLO CCOc1ccc(/C=[NH+]/CCCOCCc2ccccc2)c(O)c1 ZINC000917557367 1122637045 /nfs/dbraw/zinc/63/70/45/1122637045.db2.gz IJRYBXWHCPHRJD-LTGZKZEYSA-N 1 2 327.424 3.859 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(C#N)cc1F ZINC000556607591 1123056281 /nfs/dbraw/zinc/05/62/81/1123056281.db2.gz GCJNJYPZWVPLMS-OAHLLOKOSA-N 1 2 334.398 3.793 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 ZINC000194966968 1123095665 /nfs/dbraw/zinc/09/56/65/1123095665.db2.gz PNYXRBBRJYWFRM-UHFFFAOYSA-N 1 2 330.391 3.773 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2nnc(-c3ccccc3)o2)C2CC2)cc1 ZINC000194966968 1123095669 /nfs/dbraw/zinc/09/56/69/1123095669.db2.gz PNYXRBBRJYWFRM-UHFFFAOYSA-N 1 2 330.391 3.773 20 30 EHEDLO C=C(Br)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181291685 1124729535 /nfs/dbraw/zinc/72/95/35/1124729535.db2.gz ALIKCKKCXVTDEO-AWEZNQCLSA-N 1 2 347.260 3.560 20 30 EHEDLO C=C(Br)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181291685 1124729540 /nfs/dbraw/zinc/72/95/40/1124729540.db2.gz ALIKCKKCXVTDEO-AWEZNQCLSA-N 1 2 347.260 3.560 20 30 EHEDLO CC(C)Oc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000272825671 1124957588 /nfs/dbraw/zinc/95/75/88/1124957588.db2.gz HBTXGWWDSFLFCF-UHFFFAOYSA-N 1 2 336.439 3.821 20 30 EHEDLO Cn1nccc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000092128939 1129533804 /nfs/dbraw/zinc/53/38/04/1129533804.db2.gz AUHKIPVTYMTIMG-UHFFFAOYSA-N 1 2 334.398 3.633 20 30 EHEDLO Cn1nccc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000092128939 1129533806 /nfs/dbraw/zinc/53/38/06/1129533806.db2.gz AUHKIPVTYMTIMG-UHFFFAOYSA-N 1 2 334.398 3.633 20 30 EHEDLO N#Cc1c(F)ccc(CNc2ccc(N3CCCCC3)c[nH+]2)c1Cl ZINC000428874515 1129562494 /nfs/dbraw/zinc/56/24/94/1129562494.db2.gz OCGLNNPHBMKFQV-UHFFFAOYSA-N 1 2 344.821 3.770 20 30 EHEDLO OC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(Cl)c1F ZINC000499937540 1129578880 /nfs/dbraw/zinc/57/88/80/1129578880.db2.gz SYSUCENPQMDJRA-MRXNPFEDSA-N 1 2 338.209 3.807 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1F ZINC000391860798 1129689380 /nfs/dbraw/zinc/68/93/80/1129689380.db2.gz PKPYFGVLDLBZOU-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC(C2CC2)C2CC2)[nH+]1 ZINC001168743704 1129872260 /nfs/dbraw/zinc/87/22/60/1129872260.db2.gz IQTUAJXVVFAJEP-QNJILJPISA-N 1 2 333.501 3.872 20 30 EHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000347938754 1131094546 /nfs/dbraw/zinc/09/45/46/1131094546.db2.gz CCLHSPUXLOILPP-UHFFFAOYSA-N 1 2 325.393 3.817 20 30 EHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000347938754 1131094552 /nfs/dbraw/zinc/09/45/52/1131094552.db2.gz CCLHSPUXLOILPP-UHFFFAOYSA-N 1 2 325.393 3.817 20 30 EHEDLO N#Cc1ccccc1C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347971353 1131098562 /nfs/dbraw/zinc/09/85/62/1131098562.db2.gz GWICCHQDAATJLM-UHFFFAOYSA-N 1 2 335.234 3.860 20 30 EHEDLO N#Cc1ccccc1C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000347971353 1131098568 /nfs/dbraw/zinc/09/85/68/1131098568.db2.gz GWICCHQDAATJLM-UHFFFAOYSA-N 1 2 335.234 3.860 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCCc1ccccc1 ZINC000739901499 1131513009 /nfs/dbraw/zinc/51/30/09/1131513009.db2.gz BCDLLVVHHQGXHR-HXUWFJFHSA-N 1 2 336.435 3.727 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCCc1ccccc1 ZINC000739901499 1131513014 /nfs/dbraw/zinc/51/30/14/1131513014.db2.gz BCDLLVVHHQGXHR-HXUWFJFHSA-N 1 2 336.435 3.727 20 30 EHEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC(Cc2ccccc2)CC1)C(=O)OCC ZINC001172819462 1131850768 /nfs/dbraw/zinc/85/07/68/1131850768.db2.gz ISFJTAOSNVIKJA-VUMZAAJDSA-N 1 2 327.468 3.885 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743348314 1131905190 /nfs/dbraw/zinc/90/51/90/1131905190.db2.gz LAJRFWJQCQAXRD-GOSISDBHSA-N 1 2 339.826 3.575 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743348314 1131905196 /nfs/dbraw/zinc/90/51/96/1131905196.db2.gz LAJRFWJQCQAXRD-GOSISDBHSA-N 1 2 339.826 3.575 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)nc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694044 1131922163 /nfs/dbraw/zinc/92/21/63/1131922163.db2.gz GZNSFMYINBMHQN-UHFFFAOYSA-N 1 2 343.312 3.960 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(Br)cc1 ZINC001205988642 1132165886 /nfs/dbraw/zinc/16/58/86/1132165886.db2.gz HRZVIQUJXFHEGP-HNNXBMFYSA-N 1 2 331.238 3.846 20 30 EHEDLO CC(C)C[C@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000745986664 1132344193 /nfs/dbraw/zinc/34/41/93/1132344193.db2.gz OFISYPLBJARVQV-HUUCEWRRSA-N 1 2 341.480 3.841 20 30 EHEDLO CC(C)C[C@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000745986664 1132344201 /nfs/dbraw/zinc/34/42/01/1132344201.db2.gz OFISYPLBJARVQV-HUUCEWRRSA-N 1 2 341.480 3.841 20 30 EHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000746449865 1132540440 /nfs/dbraw/zinc/54/04/40/1132540440.db2.gz JERCJZUTPKSWJK-QGZVFWFLSA-N 1 2 348.874 3.681 20 30 EHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000746449865 1132540447 /nfs/dbraw/zinc/54/04/47/1132540447.db2.gz JERCJZUTPKSWJK-QGZVFWFLSA-N 1 2 348.874 3.681 20 30 EHEDLO C=CCOC(=O)c1ccccc1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175715133 1132741104 /nfs/dbraw/zinc/74/11/04/1132741104.db2.gz KPPXFOKQKGWQDV-UHFFFAOYSA-N 1 2 337.301 3.769 20 30 EHEDLO CC1(C)CC(=O)C=C(Nc2c[nH+]c3cccc(Br)n23)C1 ZINC001169952693 1132908073 /nfs/dbraw/zinc/90/80/73/1132908073.db2.gz FQSQGRFGLXWGIA-UHFFFAOYSA-N 1 2 334.217 3.782 20 30 EHEDLO CC[C@@H](CSC)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000773702804 1133094490 /nfs/dbraw/zinc/09/44/90/1133094490.db2.gz RKFXAVFERYWUQA-STQMWFEESA-N 1 2 347.509 3.546 20 30 EHEDLO CC[C@@H](CSC)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000773702804 1133094497 /nfs/dbraw/zinc/09/44/97/1133094497.db2.gz RKFXAVFERYWUQA-STQMWFEESA-N 1 2 347.509 3.546 20 30 EHEDLO C[C@H](c1ccccc1)N(C(=O)CCc1[nH]cc[nH+]1)C1=CC(=O)CCC1 ZINC001177998183 1133122936 /nfs/dbraw/zinc/12/29/36/1133122936.db2.gz OJGXOKIMCTYFRM-OAHLLOKOSA-N 1 2 337.423 3.569 20 30 EHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1ccc(N)cc1Cl ZINC000769797774 1133348501 /nfs/dbraw/zinc/34/85/01/1133348501.db2.gz COPDNXOCQHXCHH-UHFFFAOYSA-N 1 2 339.624 3.916 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cncc4ccccc43)CCO2)c1 ZINC000770391655 1133422408 /nfs/dbraw/zinc/42/24/08/1133422408.db2.gz OHZUWMRWKRZMJY-OAQYLSRUSA-N 1 2 329.403 3.680 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cncc4ccccc43)CCO2)c1 ZINC000770391655 1133422412 /nfs/dbraw/zinc/42/24/12/1133422412.db2.gz OHZUWMRWKRZMJY-OAQYLSRUSA-N 1 2 329.403 3.680 20 30 EHEDLO CC(C)CCn1cccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770392102 1133422452 /nfs/dbraw/zinc/42/24/52/1133422452.db2.gz QTWFGEYEZMHPNO-NRFANRHFSA-N 1 2 337.467 3.979 20 30 EHEDLO CC(C)CCn1cccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770392102 1133422458 /nfs/dbraw/zinc/42/24/58/1133422458.db2.gz QTWFGEYEZMHPNO-NRFANRHFSA-N 1 2 337.467 3.979 20 30 EHEDLO CCCCCCC[C@@H](C)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001181123100 1133456095 /nfs/dbraw/zinc/45/60/95/1133456095.db2.gz QYHYPYXGKGGNSP-LJQANCHMSA-N 1 2 345.531 3.765 20 30 EHEDLO Cc1ccc(Nc2c(C#N)c(CC#N)nn2-c2ccccc2)c(C)[nH+]1 ZINC001203370263 1133589070 /nfs/dbraw/zinc/58/90/70/1133589070.db2.gz YORXKMZUESPVOV-UHFFFAOYSA-N 1 2 328.379 3.566 20 30 EHEDLO N#CCc1ccc(Oc2ccc(C(=O)OCCn3cc[nH+]c3)cc2)cc1 ZINC000771955513 1133619910 /nfs/dbraw/zinc/61/99/10/1133619910.db2.gz DFJKAVRLPQFGMA-UHFFFAOYSA-N 1 2 347.374 3.598 20 30 EHEDLO C[NH+](C)[C@@H](C(=O)OCc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000772254530 1133666704 /nfs/dbraw/zinc/66/67/04/1133666704.db2.gz IYYFIEJYNGKHCK-QGZVFWFLSA-N 1 2 328.799 3.558 20 30 EHEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001170094185 1134199687 /nfs/dbraw/zinc/19/96/87/1134199687.db2.gz GXLNCUHJGUXABO-CQSZACIVSA-N 1 2 344.817 3.942 20 30 EHEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001170094185 1134199691 /nfs/dbraw/zinc/19/96/91/1134199691.db2.gz GXLNCUHJGUXABO-CQSZACIVSA-N 1 2 344.817 3.942 20 30 EHEDLO C#C[C@H](Nc1cc(C)[nH+]c(CC)n1)c1ccc(Br)cc1 ZINC001186571332 1134233335 /nfs/dbraw/zinc/23/33/35/1134233335.db2.gz HPRKVLADJRSXFR-AWEZNQCLSA-N 1 2 330.229 3.896 20 30 EHEDLO CCc1[nH]c(CNc2cc(C)c(C#N)c3nc4ccccc4n32)c[nH+]1 ZINC001187739869 1134379208 /nfs/dbraw/zinc/37/92/08/1134379208.db2.gz MFAQFWNAAOSXEL-UHFFFAOYSA-N 1 2 330.395 3.565 20 30 EHEDLO CCc1[nH]cc(CNc2cc(C)c(C#N)c3nc4ccccc4n32)[nH+]1 ZINC001187739869 1134379215 /nfs/dbraw/zinc/37/92/15/1134379215.db2.gz MFAQFWNAAOSXEL-UHFFFAOYSA-N 1 2 330.395 3.565 20 30 EHEDLO Cn1cc[nH+]c1NN=Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000790300954 1134397881 /nfs/dbraw/zinc/39/78/81/1134397881.db2.gz CFWDGADQXNQLAI-UHFFFAOYSA-N 1 2 347.138 3.647 20 30 EHEDLO COc1cc(C=NNc2[nH+]ccn2C)ccc1OCc1cccs1 ZINC000790299838 1134398398 /nfs/dbraw/zinc/39/83/98/1134398398.db2.gz KSGFPNWIUVOURZ-UHFFFAOYSA-N 1 2 342.424 3.515 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cncc(Br)c1 ZINC000792635151 1134759574 /nfs/dbraw/zinc/75/95/74/1134759574.db2.gz NYVODIJGAKSGLE-UHFFFAOYSA-N 1 2 345.244 3.648 20 30 EHEDLO C=CCCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291973 1134995424 /nfs/dbraw/zinc/99/54/24/1134995424.db2.gz KLMXUROHAQMOJO-OAHLLOKOSA-N 1 2 340.261 3.951 20 30 EHEDLO C=CCCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC001192291973 1134995428 /nfs/dbraw/zinc/99/54/28/1134995428.db2.gz KLMXUROHAQMOJO-OAHLLOKOSA-N 1 2 340.261 3.951 20 30 EHEDLO CCC[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000775569612 1135103464 /nfs/dbraw/zinc/10/34/64/1135103464.db2.gz GLCFMXFTVCFCRV-UHFFFAOYSA-N 1 2 345.450 3.610 20 30 EHEDLO CCC[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000775569612 1135103469 /nfs/dbraw/zinc/10/34/69/1135103469.db2.gz GLCFMXFTVCFCRV-UHFFFAOYSA-N 1 2 345.450 3.610 20 30 EHEDLO C=CCCCCCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000804902713 1135216054 /nfs/dbraw/zinc/21/60/54/1135216054.db2.gz PZODPBQBPQPGBG-UHFFFAOYSA-N 1 2 330.476 3.618 20 30 EHEDLO C=CCCC[C@@H](C)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805906889 1135347756 /nfs/dbraw/zinc/34/77/56/1135347756.db2.gz LMMBFAAWBNZTIW-CQSZACIVSA-N 1 2 336.501 3.952 20 30 EHEDLO COc1cc(Cl)ccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001197033692 1135643025 /nfs/dbraw/zinc/64/30/25/1135643025.db2.gz XMEIYFAIWRBAHC-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO N#Cc1ccc(-c2ccc(C(=O)NCc3c[nH+]cn3C3CCC3)o2)cc1 ZINC001197404687 1135685085 /nfs/dbraw/zinc/68/50/85/1135685085.db2.gz XVHGAXVQXWDECL-UHFFFAOYSA-N 1 2 346.390 3.670 20 30 EHEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001198104287 1135776204 /nfs/dbraw/zinc/77/62/04/1135776204.db2.gz NWAHLKOCXROBRD-CYBMUJFWSA-N 1 2 344.680 3.788 20 30 EHEDLO C=CCC[C@@H](O)C[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001198104287 1135776206 /nfs/dbraw/zinc/77/62/06/1135776206.db2.gz NWAHLKOCXROBRD-CYBMUJFWSA-N 1 2 344.680 3.788 20 30 EHEDLO C#CCSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000809476477 1135842624 /nfs/dbraw/zinc/84/26/24/1135842624.db2.gz PIKZWPQIZRWCLS-HNNXBMFYSA-N 1 2 326.469 3.540 20 30 EHEDLO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000810154267 1135932119 /nfs/dbraw/zinc/93/21/19/1135932119.db2.gz MDPIETZCWODJMS-UHFFFAOYSA-N 1 2 335.238 3.616 20 30 EHEDLO C[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000810569341 1135973697 /nfs/dbraw/zinc/97/36/97/1135973697.db2.gz WGWVCDZVYBDNTP-MRXNPFEDSA-N 1 2 345.402 3.650 20 30 EHEDLO Nc1ccc(Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c[nH+]1 ZINC001201292390 1136001789 /nfs/dbraw/zinc/00/17/89/1136001789.db2.gz XMFUAWCUJCUZGQ-UHFFFAOYSA-N 1 2 325.187 3.983 20 30 EHEDLO N#Cc1csc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)n1 ZINC000811505723 1136101217 /nfs/dbraw/zinc/10/12/17/1136101217.db2.gz GKNCEXZWHXSZBY-LJQANCHMSA-N 1 2 349.459 3.751 20 30 EHEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)n1 ZINC000811505723 1136101221 /nfs/dbraw/zinc/10/12/21/1136101221.db2.gz GKNCEXZWHXSZBY-LJQANCHMSA-N 1 2 349.459 3.751 20 30 EHEDLO Cc1cccc(C)c1NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001202196777 1136109620 /nfs/dbraw/zinc/10/96/20/1136109620.db2.gz REJNPAYLYKXSNM-UHFFFAOYSA-N 1 2 340.452 3.869 20 30 EHEDLO Cc1cccc(C)c1NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001202196777 1136109621 /nfs/dbraw/zinc/10/96/21/1136109621.db2.gz REJNPAYLYKXSNM-UHFFFAOYSA-N 1 2 340.452 3.869 20 30 EHEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170666189 1136181059 /nfs/dbraw/zinc/18/10/59/1136181059.db2.gz PHLSPUKNZHEVIX-QAPCUYQASA-N 1 2 337.410 3.556 20 30 EHEDLO Cc1cccc(C(C)C)c1N[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000812232826 1136187056 /nfs/dbraw/zinc/18/70/56/1136187056.db2.gz MQFKDPAWMINTHD-UHFFFAOYSA-N 1 2 344.484 3.858 20 30 EHEDLO CCCCCCCC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000813374332 1136325082 /nfs/dbraw/zinc/32/50/82/1136325082.db2.gz BOGWITCZSJHXQF-UHFFFAOYSA-N 1 2 337.533 3.968 20 30 EHEDLO COCC(=NNc1cc[nH+]c2ccccc12)c1cccc(Cl)c1F ZINC000814841726 1136514316 /nfs/dbraw/zinc/51/43/16/1136514316.db2.gz UXRVGOZXSFZNKF-UHFFFAOYSA-N 1 2 343.789 3.912 20 30 EHEDLO CC(=[NH+]Nc1ccnc(Cl)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000853394353 1136530117 /nfs/dbraw/zinc/53/01/17/1136530117.db2.gz MSNCPOCDKWLPKQ-UHFFFAOYSA-N 1 2 348.809 3.547 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000816551494 1136732783 /nfs/dbraw/zinc/73/27/83/1136732783.db2.gz CYFNVQSMNWVIHM-ZDUSSCGKSA-N 1 2 332.350 3.641 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000805748025 1136993809 /nfs/dbraw/zinc/99/38/09/1136993809.db2.gz LEUHYGOGVWUQOT-KRWDZBQOSA-N 1 2 327.815 3.974 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000805748025 1136993810 /nfs/dbraw/zinc/99/38/10/1136993810.db2.gz LEUHYGOGVWUQOT-KRWDZBQOSA-N 1 2 327.815 3.974 20 30 EHEDLO C[NH+](C)Cc1c(F)cc(NC(=N)c2ccc3ccccc3n2)cc1F ZINC001171051116 1137129441 /nfs/dbraw/zinc/12/94/41/1137129441.db2.gz GBOTXVKALOUEBT-UHFFFAOYSA-N 1 2 340.377 3.612 20 30 EHEDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001143716588 1137191734 /nfs/dbraw/zinc/19/17/34/1137191734.db2.gz SCTNGJAMLKXGGX-XHDPSFHLSA-N 1 2 346.780 3.737 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001143716588 1137191735 /nfs/dbraw/zinc/19/17/35/1137191735.db2.gz SCTNGJAMLKXGGX-XHDPSFHLSA-N 1 2 346.780 3.737 20 30 EHEDLO COc1ccc2c(c1)C(C)(C)/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794713726 1137242765 /nfs/dbraw/zinc/24/27/65/1137242765.db2.gz OEOHOWGEYHVTRG-CXUHLZMHSA-N 1 2 342.464 3.771 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cccnc1Br ZINC000865291854 1137274830 /nfs/dbraw/zinc/27/48/30/1137274830.db2.gz QTVZXBHWLPBZBM-UHFFFAOYSA-N 1 2 347.216 3.534 20 30 EHEDLO CC(C)c1cc(N(C)C[C@@H](O)c2cccc(C#N)c2)nc(C(C)C)[nH+]1 ZINC000845609636 1137302425 /nfs/dbraw/zinc/30/24/25/1137302425.db2.gz XYKHPEGVOWGOLY-GOSISDBHSA-N 1 2 338.455 3.765 20 30 EHEDLO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)OCCO2 ZINC000866240476 1137338043 /nfs/dbraw/zinc/33/80/43/1137338043.db2.gz GPMVIELOUFGJMI-CXAGYDPISA-N 1 2 338.407 3.837 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(N2CCCC2=O)cc1 ZINC000866243651 1137338786 /nfs/dbraw/zinc/33/87/86/1137338786.db2.gz SDTJJWLUHYCBCO-GJZGRUSLSA-N 1 2 349.434 3.802 20 30 EHEDLO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc(C#N)c1O ZINC000866293507 1137343244 /nfs/dbraw/zinc/34/32/44/1137343244.db2.gz QRZKQOFWQOXSKO-GFCCVEGCSA-N 1 2 332.350 3.759 20 30 EHEDLO C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)c1cccc(C#N)c1O)Cc1ccccc1 ZINC000866345697 1137347812 /nfs/dbraw/zinc/34/78/12/1137347812.db2.gz BOCXYWRVPSTUMZ-CKJXQJPGSA-N 1 2 338.451 3.544 20 30 EHEDLO CC(C)C[C@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171255702 1137373567 /nfs/dbraw/zinc/37/35/67/1137373567.db2.gz CWMPAXQSIWGJFV-SMLSOGCJSA-N 1 2 339.483 3.740 20 30 EHEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000847032886 1137383765 /nfs/dbraw/zinc/38/37/65/1137383765.db2.gz VSLORPCSOZYSAT-RYUDHWBXSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000847032886 1137383767 /nfs/dbraw/zinc/38/37/67/1137383767.db2.gz VSLORPCSOZYSAT-RYUDHWBXSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000847032880 1137383781 /nfs/dbraw/zinc/38/37/81/1137383781.db2.gz VSLORPCSOZYSAT-NEPJUHHUSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000847032880 1137383783 /nfs/dbraw/zinc/38/37/83/1137383783.db2.gz VSLORPCSOZYSAT-NEPJUHHUSA-N 1 2 325.239 3.666 20 30 EHEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001171961762 1137519520 /nfs/dbraw/zinc/51/95/20/1137519520.db2.gz AJEWHGYRPPMGQZ-IAQYHMDHSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001171961762 1137519522 /nfs/dbraw/zinc/51/95/22/1137519522.db2.gz AJEWHGYRPPMGQZ-IAQYHMDHSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001171961762 1137519524 /nfs/dbraw/zinc/51/95/24/1137519524.db2.gz AJEWHGYRPPMGQZ-IAQYHMDHSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001171961762 1137519526 /nfs/dbraw/zinc/51/95/26/1137519526.db2.gz AJEWHGYRPPMGQZ-IAQYHMDHSA-N 1 2 341.398 3.911 20 30 EHEDLO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cc(Cl)c(O)c(OCC)c2)no1 ZINC000872180449 1137575449 /nfs/dbraw/zinc/57/54/49/1137575449.db2.gz RMDJDWOFAVRXHK-SNVBAGLBSA-N 1 2 344.198 3.637 20 30 EHEDLO COc1ccc(C[N@H+](Cc2cc(C#N)cnc2Cl)C2CC2)cc1 ZINC000876548415 1137655121 /nfs/dbraw/zinc/65/51/21/1137655121.db2.gz GCTHHJFVEPCZPO-UHFFFAOYSA-N 1 2 327.815 3.780 20 30 EHEDLO COc1ccc(C[N@@H+](Cc2cc(C#N)cnc2Cl)C2CC2)cc1 ZINC000876548415 1137655122 /nfs/dbraw/zinc/65/51/22/1137655122.db2.gz GCTHHJFVEPCZPO-UHFFFAOYSA-N 1 2 327.815 3.780 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000876683394 1137658978 /nfs/dbraw/zinc/65/89/78/1137658978.db2.gz AJJBURDHEYCGGC-QGZVFWFLSA-N 1 2 327.815 3.570 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000876683394 1137658979 /nfs/dbraw/zinc/65/89/79/1137658979.db2.gz AJJBURDHEYCGGC-QGZVFWFLSA-N 1 2 327.815 3.570 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000877627624 1137683490 /nfs/dbraw/zinc/68/34/90/1137683490.db2.gz UOOCJZWZCFUWHK-UHFFFAOYSA-N 1 2 331.778 3.577 20 30 EHEDLO C#C[C@@](C)(CC)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000879033313 1137735947 /nfs/dbraw/zinc/73/59/47/1137735947.db2.gz LYSVGLKMRJJPEF-FQEVSTJZSA-N 1 2 334.423 3.525 20 30 EHEDLO C=CCCC[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000879297003 1137743824 /nfs/dbraw/zinc/74/38/24/1137743824.db2.gz GBTHYHSSNQOVHX-MOPGFXCFSA-N 1 2 337.467 3.876 20 30 EHEDLO C#CC[C@H]1CCCN(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1 ZINC000879717554 1137756477 /nfs/dbraw/zinc/75/64/77/1137756477.db2.gz AKSMLQBLXXXPQQ-HNNXBMFYSA-N 1 2 336.439 3.568 20 30 EHEDLO C=CC[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000348261272 1137886339 /nfs/dbraw/zinc/88/63/39/1137886339.db2.gz MCBLIQJMBPEBEY-NRFANRHFSA-N 1 2 345.446 3.908 20 30 EHEDLO C=CCn1c(=S)n(C[NH+]2CCCCCCC2)nc1-c1ccccn1 ZINC000133950814 1137927063 /nfs/dbraw/zinc/92/70/63/1137927063.db2.gz QRFLOSVSGHVQNQ-UHFFFAOYSA-N 1 2 343.500 3.886 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C#N)cc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000120158852 1137946934 /nfs/dbraw/zinc/94/69/34/1137946934.db2.gz UALPOHMOYYILBD-WBMJQRKESA-N 1 2 345.244 3.605 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)c(C#N)c1C ZINC000044438890 1138040155 /nfs/dbraw/zinc/04/01/55/1138040155.db2.gz JVHZRYCGUMJELF-LLVKDONJSA-N 1 2 347.365 3.505 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)c(C#N)c1C ZINC000044438890 1138040158 /nfs/dbraw/zinc/04/01/58/1138040158.db2.gz JVHZRYCGUMJELF-LLVKDONJSA-N 1 2 347.365 3.505 20 30 EHEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158235 1138054070 /nfs/dbraw/zinc/05/40/70/1138054070.db2.gz UXKFGFWPLYEBFS-FHLIZLRMSA-N 1 2 348.874 3.547 20 30 EHEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158235 1138054073 /nfs/dbraw/zinc/05/40/73/1138054073.db2.gz UXKFGFWPLYEBFS-FHLIZLRMSA-N 1 2 348.874 3.547 20 30 EHEDLO Cc1ccc(C[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)o1 ZINC000070785787 1138095548 /nfs/dbraw/zinc/09/55/48/1138095548.db2.gz UGBPZBIXZWWZIE-UHFFFAOYSA-N 1 2 335.407 3.771 20 30 EHEDLO Cc1ccc(C[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)o1 ZINC000070785787 1138095551 /nfs/dbraw/zinc/09/55/51/1138095551.db2.gz UGBPZBIXZWWZIE-UHFFFAOYSA-N 1 2 335.407 3.771 20 30 EHEDLO CCC[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000264089393 1138416787 /nfs/dbraw/zinc/41/67/87/1138416787.db2.gz PVNVSSXWNWUYSK-UHFFFAOYSA-N 1 2 336.361 3.729 20 30 EHEDLO CCC[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000264089393 1138416788 /nfs/dbraw/zinc/41/67/88/1138416788.db2.gz PVNVSSXWNWUYSK-UHFFFAOYSA-N 1 2 336.361 3.729 20 30 EHEDLO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC(C#N)CC1 ZINC000151947048 1139065672 /nfs/dbraw/zinc/06/56/72/1139065672.db2.gz JVRYXRGMURLEPA-UHFFFAOYSA-N 1 2 337.423 3.768 20 30 EHEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cs1 ZINC000184740498 1140118249 /nfs/dbraw/zinc/11/82/49/1140118249.db2.gz QHIWWDGZAKDXEV-SNVBAGLBSA-N 1 2 348.497 3.545 20 30 EHEDLO C=CCC(CC=C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000268140339 1140889971 /nfs/dbraw/zinc/88/99/71/1140889971.db2.gz CCZNPZRHBNSURW-MRXNPFEDSA-N 1 2 328.456 3.787 20 30 EHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](C/C(Cl)=C/Cl)CC2)c1 ZINC000268645434 1140965993 /nfs/dbraw/zinc/96/59/93/1140965993.db2.gz IKKRARSSRVVTSV-ZROIWOOFSA-N 1 2 338.238 3.528 20 30 EHEDLO C[N@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748202 202176986 /nfs/dbraw/zinc/17/69/86/202176986.db2.gz ZRMOLTDYBWWIRG-HNNXBMFYSA-N 1 2 345.855 3.510 20 30 EHEDLO C[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748202 202176987 /nfs/dbraw/zinc/17/69/87/202176987.db2.gz ZRMOLTDYBWWIRG-HNNXBMFYSA-N 1 2 345.855 3.510 20 30 EHEDLO C=CCC[C@@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339550056 1014819850 /nfs/dbraw/zinc/81/98/50/1014819850.db2.gz XTIHPQJQQZHNNV-ZWKOTPCHSA-N 1 2 338.455 3.627 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000343736960 1032108337 /nfs/dbraw/zinc/10/83/37/1032108337.db2.gz SANYTUYHWAAPFX-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000343736960 1032108343 /nfs/dbraw/zinc/10/83/43/1032108343.db2.gz SANYTUYHWAAPFX-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO C=CCc1cc(CNc2[nH+]c(C)nc3[nH]ccc32)cc(OC)c1OC ZINC000080971034 1032232983 /nfs/dbraw/zinc/23/29/83/1032232983.db2.gz BGRVVDCWSPUEDY-UHFFFAOYSA-N 1 2 338.411 3.624 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000602002109 1032588385 /nfs/dbraw/zinc/58/83/85/1032588385.db2.gz ASBLNTOYLLEXRB-UHFFFAOYSA-N 1 2 325.387 3.704 20 30 EHEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329814900 1032592104 /nfs/dbraw/zinc/59/21/04/1032592104.db2.gz DWQICFWNOAERNK-XKQJLSEDSA-N 1 2 332.444 3.561 20 30 EHEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329814900 1032592110 /nfs/dbraw/zinc/59/21/10/1032592110.db2.gz DWQICFWNOAERNK-XKQJLSEDSA-N 1 2 332.444 3.561 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602096179 1032641049 /nfs/dbraw/zinc/64/10/49/1032641049.db2.gz GRGORPXBHDKJDK-JHJVBQTASA-N 1 2 326.425 3.546 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602096179 1032641058 /nfs/dbraw/zinc/64/10/58/1032641058.db2.gz GRGORPXBHDKJDK-JHJVBQTASA-N 1 2 326.425 3.546 20 30 EHEDLO CC(C)C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)n1cc[nH+]c1 ZINC000602148610 1032670329 /nfs/dbraw/zinc/67/03/29/1032670329.db2.gz MWWCDOIEBJRUKC-GOSISDBHSA-N 1 2 337.427 3.555 20 30 EHEDLO CC(C)C[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000602162730 1032678583 /nfs/dbraw/zinc/67/85/83/1032678583.db2.gz DZBPWRFZISEBMT-OALUTQOASA-N 1 2 336.439 3.536 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(C#N)c(F)c1 ZINC000340425677 1017743202 /nfs/dbraw/zinc/74/32/02/1017743202.db2.gz NGDIDYDZYIZNPC-UWVGGRQHSA-N 1 2 349.207 3.662 20 30 EHEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000053147539 1017863336 /nfs/dbraw/zinc/86/33/36/1017863336.db2.gz CUYAVZODCFDWMF-GOSISDBHSA-N 1 2 336.826 3.824 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000025222564 1018868418 /nfs/dbraw/zinc/86/84/18/1018868418.db2.gz QWTKJCJRTQKPJY-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000025222564 1018868436 /nfs/dbraw/zinc/86/84/36/1018868436.db2.gz QWTKJCJRTQKPJY-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO N#CCC[C@H](C#N)CNC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000564843328 1019903226 /nfs/dbraw/zinc/90/32/26/1019903226.db2.gz CANKBLBZLLHIFS-QAPCUYQASA-N 1 2 330.863 3.510 20 30 EHEDLO N#Cc1ccc(N2CCC(Nc3ccc(N4CCCC4)c[nH+]3)CC2)cc1 ZINC000581147880 1020481179 /nfs/dbraw/zinc/48/11/79/1020481179.db2.gz UTYYRNIPRZFQJS-UHFFFAOYSA-N 1 2 347.466 3.634 20 30 EHEDLO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000189978524 1020505425 /nfs/dbraw/zinc/50/54/25/1020505425.db2.gz QEWXSWUOVCYBLX-NEPJUHHUSA-N 1 2 336.233 3.552 20 30 EHEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000602521047 1032933860 /nfs/dbraw/zinc/93/38/60/1032933860.db2.gz NSOHQWSJLZKIHM-INIZCTEOSA-N 1 2 328.460 3.583 20 30 EHEDLO NC(=[NH+]OCc1cc2ccccc2nc1Cl)c1ccc(F)cc1 ZINC000760434215 1032951471 /nfs/dbraw/zinc/95/14/71/1032951471.db2.gz ZHAKHPQQJRLYTR-UHFFFAOYSA-N 1 2 329.762 3.864 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000437897924 1021271090 /nfs/dbraw/zinc/27/10/90/1021271090.db2.gz OYLLSPLQBHDJEJ-UHFFFAOYSA-N 1 2 334.288 3.934 20 30 EHEDLO N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425674915 1021468998 /nfs/dbraw/zinc/46/89/98/1021468998.db2.gz POPBMPYCKINZDS-PBHICJAKSA-N 1 2 349.438 3.700 20 30 EHEDLO C#Cc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(Cl)c1 ZINC000933374232 1021519326 /nfs/dbraw/zinc/51/93/26/1021519326.db2.gz YHBMZZVNBZOQQC-MRXNPFEDSA-N 1 2 344.846 3.754 20 30 EHEDLO CC[NH+](CC)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccsc1 ZINC000255367626 1021570751 /nfs/dbraw/zinc/57/07/51/1021570751.db2.gz LOHCYDAPTCUBMX-PMFHANACSA-N 1 2 347.440 3.864 20 30 EHEDLO CCOc1cc(C[N@H+](C)Cc2cc(C#N)cs2)c(F)cc1OC ZINC000897624633 1033009990 /nfs/dbraw/zinc/00/99/90/1033009990.db2.gz SFJPKIPXITWLCI-UHFFFAOYSA-N 1 2 334.416 3.798 20 30 EHEDLO CCOc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)c(F)cc1OC ZINC000897624633 1033010007 /nfs/dbraw/zinc/01/00/07/1033010007.db2.gz SFJPKIPXITWLCI-UHFFFAOYSA-N 1 2 334.416 3.798 20 30 EHEDLO CCCCCOc1cc(C[NH2+]Cc2nc(C#N)cs2)ccc1OC ZINC000897632555 1033027143 /nfs/dbraw/zinc/02/71/43/1033027143.db2.gz NJRACHCIJBTNTE-UHFFFAOYSA-N 1 2 345.468 3.882 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000026323394 1033024078 /nfs/dbraw/zinc/02/40/78/1033024078.db2.gz BEXKFVGPLYXNMN-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000026323394 1033024093 /nfs/dbraw/zinc/02/40/93/1033024093.db2.gz BEXKFVGPLYXNMN-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C[C@@]1(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1(Cl)Cl ZINC000933627873 1022476378 /nfs/dbraw/zinc/47/63/78/1022476378.db2.gz GZZKWFQQKZQGFX-CABCVRRESA-N 1 2 325.239 3.515 20 30 EHEDLO C[C@@]1(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1(Cl)Cl ZINC000933627873 1022476387 /nfs/dbraw/zinc/47/63/87/1022476387.db2.gz GZZKWFQQKZQGFX-CABCVRRESA-N 1 2 325.239 3.515 20 30 EHEDLO C=CCCCN(CC)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000891738568 1022493743 /nfs/dbraw/zinc/49/37/43/1022493743.db2.gz JDUVVSZOZJPFLC-UHFFFAOYSA-N 1 2 330.476 3.570 20 30 EHEDLO C=CC(C)(C)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000458990285 1023013741 /nfs/dbraw/zinc/01/37/41/1023013741.db2.gz REVPHPLDNRKGML-ZWKOTPCHSA-N 1 2 338.455 3.623 20 30 EHEDLO Cc1cc(C)c(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)c[nH+]1 ZINC000459069415 1023235070 /nfs/dbraw/zinc/23/50/70/1023235070.db2.gz DVKUFXHEPYWSCN-UHFFFAOYSA-N 1 2 336.439 3.690 20 30 EHEDLO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCn3c[nH+]cc3C1)CCC2 ZINC000329640311 1023971646 /nfs/dbraw/zinc/97/16/46/1023971646.db2.gz ZSHWZNRUIUNLSP-IBGZPJMESA-N 1 2 338.455 3.814 20 30 EHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)N[C@H](C#N)Cc2ccccc2)c(C)c1 ZINC000610998806 1024019690 /nfs/dbraw/zinc/01/96/90/1024019690.db2.gz DWCVQEOINOIZIJ-RBBKRZOGSA-N 1 2 344.462 3.966 20 30 EHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1cccc(C#N)c1 ZINC000065227193 1024034638 /nfs/dbraw/zinc/03/46/38/1024034638.db2.gz PLGLUWVNDZKCMF-UHFFFAOYSA-N 1 2 345.402 3.920 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000514103633 1024135178 /nfs/dbraw/zinc/13/51/78/1024135178.db2.gz CXYOEWVXDBNNKU-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000514103633 1024135186 /nfs/dbraw/zinc/13/51/86/1024135186.db2.gz CXYOEWVXDBNNKU-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330097222 1024316944 /nfs/dbraw/zinc/31/69/44/1024316944.db2.gz ANAKIJJKQVMFEN-FUHIMQAGSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330097222 1024316955 /nfs/dbraw/zinc/31/69/55/1024316955.db2.gz ANAKIJJKQVMFEN-FUHIMQAGSA-N 1 2 346.471 3.550 20 30 EHEDLO N#Cc1cccc(OCCCn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000092917989 1024441749 /nfs/dbraw/zinc/44/17/49/1024441749.db2.gz LHMWRHWCJAJMMH-UHFFFAOYSA-N 1 2 346.312 3.791 20 30 EHEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000330295509 1024446005 /nfs/dbraw/zinc/44/60/05/1024446005.db2.gz FRQVUOBEZKWTMO-AWEZNQCLSA-N 1 2 334.423 3.563 20 30 EHEDLO Cc1ccc([C@@H]2CCCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330299325 1024458510 /nfs/dbraw/zinc/45/85/10/1024458510.db2.gz MGFZVWLGVKBJSA-MSOLQXFVSA-N 1 2 338.455 3.648 20 30 EHEDLO CC(C)(C)c1cc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)no1 ZINC000602893152 1033245857 /nfs/dbraw/zinc/24/58/57/1033245857.db2.gz BHKIGJHIAKHEFJ-UHFFFAOYSA-N 1 2 338.455 3.920 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000520849069 1025082804 /nfs/dbraw/zinc/08/28/04/1025082804.db2.gz GBVBRMMDEQZSRI-FQEVSTJZSA-N 1 2 340.492 3.914 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CC[C@H](c2nc(CC)no2)C1 ZINC000896352924 1025376319 /nfs/dbraw/zinc/37/63/19/1025376319.db2.gz ZGQZKTNTSBQPJP-GJZGRUSLSA-N 1 2 340.427 3.567 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554488 1025737712 /nfs/dbraw/zinc/73/77/12/1025737712.db2.gz WNOPXHYTFDQCNK-IEBWSBKVSA-N 1 2 342.826 3.528 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554488 1025737727 /nfs/dbraw/zinc/73/77/27/1025737727.db2.gz WNOPXHYTFDQCNK-IEBWSBKVSA-N 1 2 342.826 3.528 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(Cl)c1 ZINC000451278506 1025748160 /nfs/dbraw/zinc/74/81/60/1025748160.db2.gz CSHAAWQQVFUOHP-PKOBYXMFSA-N 1 2 344.817 3.512 20 30 EHEDLO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(Cl)c1 ZINC000451278506 1025748174 /nfs/dbraw/zinc/74/81/74/1025748174.db2.gz CSHAAWQQVFUOHP-PKOBYXMFSA-N 1 2 344.817 3.512 20 30 EHEDLO O=C(CCc1[nH]cc[nH+]1)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000329496863 1025922917 /nfs/dbraw/zinc/92/29/17/1025922917.db2.gz JCOUEDMPCUMJBX-UHFFFAOYSA-N 1 2 339.443 3.821 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(Cl)c1 ZINC000582372225 1025989735 /nfs/dbraw/zinc/98/97/35/1025989735.db2.gz PYNXZTGJLVHNBB-UHFFFAOYSA-N 1 2 336.826 3.664 20 30 EHEDLO N#Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127723945 1026377412 /nfs/dbraw/zinc/37/74/12/1026377412.db2.gz XBTZISXABXWGQK-GOSISDBHSA-N 1 2 344.361 3.733 20 30 EHEDLO N#Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127723945 1026377422 /nfs/dbraw/zinc/37/74/22/1026377422.db2.gz XBTZISXABXWGQK-GOSISDBHSA-N 1 2 344.361 3.733 20 30 EHEDLO C=CCOc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000501727511 1027484150 /nfs/dbraw/zinc/48/41/50/1027484150.db2.gz DRGRXBRAMDLKRQ-UHFFFAOYSA-N 1 2 346.434 3.567 20 30 EHEDLO C[C@@H]1CSCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347122958 1027859247 /nfs/dbraw/zinc/85/92/47/1027859247.db2.gz IGVCENBFUTZQNR-NSHDSACASA-N 1 2 325.275 3.506 20 30 EHEDLO C[C@@H]1CSCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347122958 1027859264 /nfs/dbraw/zinc/85/92/64/1027859264.db2.gz IGVCENBFUTZQNR-NSHDSACASA-N 1 2 325.275 3.506 20 30 EHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000533520267 1028039038 /nfs/dbraw/zinc/03/90/38/1028039038.db2.gz FJHKPKXPMATKDQ-NRFANRHFSA-N 1 2 348.446 3.697 20 30 EHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000533520267 1028039058 /nfs/dbraw/zinc/03/90/58/1028039058.db2.gz FJHKPKXPMATKDQ-NRFANRHFSA-N 1 2 348.446 3.697 20 30 EHEDLO Cc1nn(-c2ccccc2)cc1CNc1[nH+]cccc1OCCCC#N ZINC000162270891 1028544809 /nfs/dbraw/zinc/54/48/09/1028544809.db2.gz UHMYSBBBWVMJID-UHFFFAOYSA-N 1 2 347.422 3.870 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccsc1 ZINC000127309605 1028549741 /nfs/dbraw/zinc/54/97/41/1028549741.db2.gz NDHXTAVDVXZLPQ-LLVKDONJSA-N 1 2 333.844 3.732 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccsc1 ZINC000127309605 1028549762 /nfs/dbraw/zinc/54/97/62/1028549762.db2.gz NDHXTAVDVXZLPQ-LLVKDONJSA-N 1 2 333.844 3.732 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524141505 1028903948 /nfs/dbraw/zinc/90/39/48/1028903948.db2.gz PNELGSSXAMWQKN-NRFANRHFSA-N 1 2 337.442 3.966 20 30 EHEDLO CN(CCC#N)c1ccc(CNc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000163192892 1030117387 /nfs/dbraw/zinc/11/73/87/1030117387.db2.gz SLSOXFZLIIZSIT-UHFFFAOYSA-N 1 2 335.455 3.644 20 30 EHEDLO N#CCCCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000159440553 1030207778 /nfs/dbraw/zinc/20/77/78/1030207778.db2.gz APNHURJPLDUFAM-UHFFFAOYSA-N 1 2 341.484 3.649 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1OC ZINC000092594234 1030491148 /nfs/dbraw/zinc/49/11/48/1030491148.db2.gz DHQHHEAGACZZNE-SFHVURJKSA-N 1 2 345.464 3.895 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1OC ZINC000092594234 1030491158 /nfs/dbraw/zinc/49/11/58/1030491158.db2.gz DHQHHEAGACZZNE-SFHVURJKSA-N 1 2 345.464 3.895 20 30 EHEDLO N#CCCN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022788972 1030513852 /nfs/dbraw/zinc/51/38/52/1030513852.db2.gz HNZVYLQJUUCNPC-UHFFFAOYSA-N 1 2 341.405 3.585 20 30 EHEDLO C=CCOc1ccccc1C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000482867006 1030759285 /nfs/dbraw/zinc/75/92/85/1030759285.db2.gz NHISNVMFUAKLLD-MRXNPFEDSA-N 1 2 348.450 3.991 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000610245965 1031211397 /nfs/dbraw/zinc/21/13/97/1031211397.db2.gz CNTJNKGZRAEJKR-UHFFFAOYSA-N 1 2 343.434 3.966 20 30 EHEDLO CCCn1c(C)nnc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000343560385 1031389989 /nfs/dbraw/zinc/38/99/89/1031389989.db2.gz DAFKDWBZCPZZSM-UHFFFAOYSA-N 1 2 325.460 3.526 20 30 EHEDLO CCCn1c(C)nnc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000343560385 1031390003 /nfs/dbraw/zinc/39/00/03/1031390003.db2.gz DAFKDWBZCPZZSM-UHFFFAOYSA-N 1 2 325.460 3.526 20 30 EHEDLO C[C@@H](c1nnc(SCCC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000023223603 1031718015 /nfs/dbraw/zinc/71/80/15/1031718015.db2.gz DYEYDKNMTVZIAU-HNNXBMFYSA-N 1 2 341.484 3.820 20 30 EHEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)n1 ZINC000599370850 1033891686 /nfs/dbraw/zinc/89/16/86/1033891686.db2.gz MBNGASBMZOJAIS-AWEZNQCLSA-N 1 2 348.406 3.776 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000595616077 1033928061 /nfs/dbraw/zinc/92/80/61/1033928061.db2.gz OSEHEYQOCVEFSJ-LJQANCHMSA-N 1 2 347.462 3.842 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000595616077 1033928069 /nfs/dbraw/zinc/92/80/69/1033928069.db2.gz OSEHEYQOCVEFSJ-LJQANCHMSA-N 1 2 347.462 3.842 20 30 EHEDLO C[C@H](c1c(F)cccc1F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603845224 1033968759 /nfs/dbraw/zinc/96/87/59/1033968759.db2.gz YYRCMBLIAOZMQC-OAHLLOKOSA-N 1 2 341.405 3.715 20 30 EHEDLO CCOCC[N@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000599623707 1034048035 /nfs/dbraw/zinc/04/80/35/1034048035.db2.gz BNRQYGLMMFKNRV-KRWDZBQOSA-N 1 2 327.453 3.541 20 30 EHEDLO CCOCC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000599623707 1034048052 /nfs/dbraw/zinc/04/80/52/1034048052.db2.gz BNRQYGLMMFKNRV-KRWDZBQOSA-N 1 2 327.453 3.541 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1noc(-c2cncc(C)c2)n1 ZINC000450296110 1034073086 /nfs/dbraw/zinc/07/30/86/1034073086.db2.gz BTUJYUIKZVXIAA-UHFFFAOYSA-N 1 2 334.423 3.671 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)Cc1noc(-c2cncc(C)c2)n1 ZINC000450296110 1034073101 /nfs/dbraw/zinc/07/31/01/1034073101.db2.gz BTUJYUIKZVXIAA-UHFFFAOYSA-N 1 2 334.423 3.671 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1OC ZINC000120724313 1034085499 /nfs/dbraw/zinc/08/54/99/1034085499.db2.gz QSKJJBLOYSJGAV-UHFFFAOYSA-N 1 2 337.379 3.663 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1OC ZINC000120724313 1034085516 /nfs/dbraw/zinc/08/55/16/1034085516.db2.gz QSKJJBLOYSJGAV-UHFFFAOYSA-N 1 2 337.379 3.663 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119516029 1034177932 /nfs/dbraw/zinc/17/79/32/1034177932.db2.gz BRFQYMDNXHXSJY-INIZCTEOSA-N 1 2 348.512 3.650 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119516029 1034177939 /nfs/dbraw/zinc/17/79/39/1034177939.db2.gz BRFQYMDNXHXSJY-INIZCTEOSA-N 1 2 348.512 3.650 20 30 EHEDLO CC(C)OCCOC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000451952114 1034439367 /nfs/dbraw/zinc/43/93/67/1034439367.db2.gz ODWIXRIMFDPMAE-UHFFFAOYSA-N 1 2 336.863 3.618 20 30 EHEDLO COc1sc(C[N@H+]2CCC[C@H](CC#N)C2)cc1Br ZINC000597178003 1034585455 /nfs/dbraw/zinc/58/54/55/1034585455.db2.gz TVABXPRIWCFWKO-SNVBAGLBSA-N 1 2 329.263 3.645 20 30 EHEDLO COc1sc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Br ZINC000597178003 1034585441 /nfs/dbraw/zinc/58/54/41/1034585441.db2.gz TVABXPRIWCFWKO-SNVBAGLBSA-N 1 2 329.263 3.645 20 30 EHEDLO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)o2)c([N+](=O)[O-])c1 ZINC000597231590 1034614317 /nfs/dbraw/zinc/61/43/17/1034614317.db2.gz ZLDQGIBEQUGJQM-SFHVURJKSA-N 1 2 341.367 3.599 20 30 EHEDLO COc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)o2)c([N+](=O)[O-])c1 ZINC000597231590 1034614321 /nfs/dbraw/zinc/61/43/21/1034614321.db2.gz ZLDQGIBEQUGJQM-SFHVURJKSA-N 1 2 341.367 3.599 20 30 EHEDLO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@](C)(C(F)F)O1 ZINC000597258190 1034631431 /nfs/dbraw/zinc/63/14/31/1034631431.db2.gz YNPBLLHTCXIJAN-KSSFIOAISA-N 1 2 338.398 3.614 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@](C)(C(F)F)O1 ZINC000597258190 1034631444 /nfs/dbraw/zinc/63/14/44/1034631444.db2.gz YNPBLLHTCXIJAN-KSSFIOAISA-N 1 2 338.398 3.614 20 30 EHEDLO COCC[N@H+](Cc1cc(Br)cs1)CC1(C#N)CCC1 ZINC000450846309 1034858370 /nfs/dbraw/zinc/85/83/70/1034858370.db2.gz LYXHEXIHRDIGQY-UHFFFAOYSA-N 1 2 343.290 3.653 20 30 EHEDLO COCC[N@@H+](Cc1cc(Br)cs1)CC1(C#N)CCC1 ZINC000450846309 1034858379 /nfs/dbraw/zinc/85/83/79/1034858379.db2.gz LYXHEXIHRDIGQY-UHFFFAOYSA-N 1 2 343.290 3.653 20 30 EHEDLO CCOCCOc1cc(C)ccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602011672 1034857736 /nfs/dbraw/zinc/85/77/36/1034857736.db2.gz JJZZYGTXUCXEDR-UHFFFAOYSA-N 1 2 342.414 3.711 20 30 EHEDLO C[C@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)n1cc[nH+]c1 ZINC000580197346 1035421616 /nfs/dbraw/zinc/42/16/16/1035421616.db2.gz ZIIOZSXTGYXUMZ-VXGBXAGGSA-N 1 2 328.441 3.531 20 30 EHEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nc2sccc2c1=O ZINC000186383734 1035648794 /nfs/dbraw/zinc/64/87/94/1035648794.db2.gz XPPHQSWCRBAHKJ-UHFFFAOYSA-N 1 2 343.477 3.948 20 30 EHEDLO C=CC[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186708067 1035695223 /nfs/dbraw/zinc/69/52/23/1035695223.db2.gz HFIHVJWDLQAKSS-IBGZPJMESA-N 1 2 335.451 3.527 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414258115 1036315662 /nfs/dbraw/zinc/31/56/62/1036315662.db2.gz PBCGCILGXSXRAV-OAHLLOKOSA-N 1 2 346.356 3.924 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495755 1036437688 /nfs/dbraw/zinc/43/76/88/1036437688.db2.gz IRMIWNSDRLTVFU-UHFFFAOYSA-N 1 2 340.379 3.570 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495755 1036437695 /nfs/dbraw/zinc/43/76/95/1036437695.db2.gz IRMIWNSDRLTVFU-UHFFFAOYSA-N 1 2 340.379 3.570 20 30 EHEDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000104667816 1037329388 /nfs/dbraw/zinc/32/93/88/1037329388.db2.gz LALXHSLKKGXCOW-UHFFFAOYSA-N 1 2 339.395 3.886 20 30 EHEDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000104667816 1037329402 /nfs/dbraw/zinc/32/94/02/1037329402.db2.gz LALXHSLKKGXCOW-UHFFFAOYSA-N 1 2 339.395 3.886 20 30 EHEDLO C#CC(C)(C)[N@@H+](C)Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000491393484 1037437442 /nfs/dbraw/zinc/43/74/42/1037437442.db2.gz HUTNEMMDMQBEAJ-UHFFFAOYSA-N 1 2 327.428 3.759 20 30 EHEDLO C#CC(C)(C)[N@H+](C)Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000491393484 1037437455 /nfs/dbraw/zinc/43/74/55/1037437455.db2.gz HUTNEMMDMQBEAJ-UHFFFAOYSA-N 1 2 327.428 3.759 20 30 EHEDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000532538336 1037565256 /nfs/dbraw/zinc/56/52/56/1037565256.db2.gz MWFKJOYZWPILEG-SFHVURJKSA-N 1 2 345.406 3.649 20 30 EHEDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000532538336 1037565263 /nfs/dbraw/zinc/56/52/63/1037565263.db2.gz MWFKJOYZWPILEG-SFHVURJKSA-N 1 2 345.406 3.649 20 30 EHEDLO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC000592114542 1037833801 /nfs/dbraw/zinc/83/38/01/1037833801.db2.gz XNXLQNZFXICUDW-LLVKDONJSA-N 1 2 346.228 3.575 20 30 EHEDLO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccncc1C#N ZINC000592122766 1037838180 /nfs/dbraw/zinc/83/81/80/1037838180.db2.gz NTAPFFDBQZOMPI-UHFFFAOYSA-N 1 2 335.329 3.526 20 30 EHEDLO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1ccncc1C#N ZINC000592122766 1037838204 /nfs/dbraw/zinc/83/82/04/1037838204.db2.gz NTAPFFDBQZOMPI-UHFFFAOYSA-N 1 2 335.329 3.526 20 30 EHEDLO Cc1cc(C#N)cc(C)c1CNc1ccc(-c2cnn(C)c2)c(C)[nH+]1 ZINC000905414044 1038872149 /nfs/dbraw/zinc/87/21/49/1038872149.db2.gz HCHAFVYSNBDSLV-UHFFFAOYSA-N 1 2 331.423 3.891 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H]2C)c1=S ZINC000173521000 1039096329 /nfs/dbraw/zinc/09/63/29/1039096329.db2.gz BBXASLKJRJPCFR-HNNXBMFYSA-N 1 2 328.485 3.633 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H]2C)c1=S ZINC000173521000 1039096344 /nfs/dbraw/zinc/09/63/44/1039096344.db2.gz BBXASLKJRJPCFR-HNNXBMFYSA-N 1 2 328.485 3.633 20 30 EHEDLO Cc1cc(C[NH+]2CCN([C@H](C)c3ccsc3)CC2)ccc1C#N ZINC000488320891 1039100220 /nfs/dbraw/zinc/10/02/20/1039100220.db2.gz ONZKBLMXRGFPQE-MRXNPFEDSA-N 1 2 325.481 3.807 20 30 EHEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc(Br)ccc1Cl ZINC000905849332 1039157675 /nfs/dbraw/zinc/15/76/75/1039157675.db2.gz GLKZBWJKRJQMEF-SNVBAGLBSA-N 1 2 326.625 3.636 20 30 EHEDLO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1nnc2ccccn21 ZINC000512672063 1040480366 /nfs/dbraw/zinc/48/03/66/1040480366.db2.gz IMOBKEJUXFDHMX-DYVFJYSZSA-N 1 2 337.402 3.932 20 30 EHEDLO CCO[C@@H](C)c1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433034634 1040535712 /nfs/dbraw/zinc/53/57/12/1040535712.db2.gz ZEPVBAJVPLMOIF-GOEBONIOSA-N 1 2 328.416 3.692 20 30 EHEDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000553991270 1040649576 /nfs/dbraw/zinc/64/95/76/1040649576.db2.gz GXDVPBSXUCCYQF-QGZVFWFLSA-N 1 2 345.512 3.816 20 30 EHEDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1)C1(C#N)CCCCC1 ZINC000553991270 1040649584 /nfs/dbraw/zinc/64/95/84/1040649584.db2.gz GXDVPBSXUCCYQF-QGZVFWFLSA-N 1 2 345.512 3.816 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000614247835 1040827751 /nfs/dbraw/zinc/82/77/51/1040827751.db2.gz HBHAGVJJZCRLOI-HXUWFJFHSA-N 1 2 338.407 3.859 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)o1 ZINC000614247835 1040827765 /nfs/dbraw/zinc/82/77/65/1040827765.db2.gz HBHAGVJJZCRLOI-HXUWFJFHSA-N 1 2 338.407 3.859 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OC3CCC3)CC2)c1C ZINC000419291249 1041119495 /nfs/dbraw/zinc/11/94/95/1041119495.db2.gz WSJYBLMUCARGPB-UHFFFAOYSA-N 1 2 330.472 3.507 20 30 EHEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000570941037 1041121046 /nfs/dbraw/zinc/12/10/46/1041121046.db2.gz ZHNPNYDQCKXYRY-MWLCHTKSSA-N 1 2 347.768 3.968 20 30 EHEDLO C=CC[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000660469770 1041519142 /nfs/dbraw/zinc/51/91/42/1041519142.db2.gz SLSPEEIXCKEPRB-HNNXBMFYSA-N 1 2 342.418 3.509 20 30 EHEDLO COC(=O)c1cc([C@@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)oc1C ZINC000293500253 1041609835 /nfs/dbraw/zinc/60/98/35/1041609835.db2.gz ZQHALGCRLWHFEV-QBIMZIAESA-N 1 2 338.407 3.675 20 30 EHEDLO COC(=O)c1cc([C@@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)oc1C ZINC000293500253 1041609839 /nfs/dbraw/zinc/60/98/39/1041609839.db2.gz ZQHALGCRLWHFEV-QBIMZIAESA-N 1 2 338.407 3.675 20 30 EHEDLO C#Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nc1 ZINC000728812748 1041925290 /nfs/dbraw/zinc/92/52/90/1041925290.db2.gz NDMRDGQRYMDQJX-UHFFFAOYSA-N 1 2 342.402 3.515 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000188272250 1042583490 /nfs/dbraw/zinc/58/34/90/1042583490.db2.gz QALJXPKNXUXEKT-OXQOHEQNSA-N 1 2 330.472 3.503 20 30 EHEDLO N#CCC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141373287 1042741095 /nfs/dbraw/zinc/74/10/95/1042741095.db2.gz WLKGKVJYYPPXFM-UHFFFAOYSA-N 1 2 343.652 3.934 20 30 EHEDLO CC(C)c1nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344125087 1043299413 /nfs/dbraw/zinc/29/94/13/1043299413.db2.gz QQSHSYWNAGBTFO-UHFFFAOYSA-N 1 2 329.469 3.787 20 30 EHEDLO CC(C)c1nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344125087 1043299422 /nfs/dbraw/zinc/29/94/22/1043299422.db2.gz QQSHSYWNAGBTFO-UHFFFAOYSA-N 1 2 329.469 3.787 20 30 EHEDLO N#CC1(c2ccccc2F)CC[NH+](Cc2cnc3ccccn23)CC1 ZINC001203161819 1043921788 /nfs/dbraw/zinc/92/17/88/1043921788.db2.gz NSNMSQGFRHEPEP-UHFFFAOYSA-N 1 2 334.398 3.531 20 30 EHEDLO CC[N@@H+](Cc1c(C)nn(Cc2ccc(OC)cc2)c1C)C[C@@H](C)C#N ZINC000344523995 1044099559 /nfs/dbraw/zinc/09/95/59/1044099559.db2.gz SGUDZWRQSNDSTB-HNNXBMFYSA-N 1 2 340.471 3.538 20 30 EHEDLO CC[N@H+](Cc1c(C)nn(Cc2ccc(OC)cc2)c1C)C[C@@H](C)C#N ZINC000344523995 1044099576 /nfs/dbraw/zinc/09/95/76/1044099576.db2.gz SGUDZWRQSNDSTB-HNNXBMFYSA-N 1 2 340.471 3.538 20 30 EHEDLO C=C[C@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000179436651 1127063961 /nfs/dbraw/zinc/06/39/61/1127063961.db2.gz JTNBZHJBUCIKBA-HXUWFJFHSA-N 1 2 345.446 3.908 20 30 EHEDLO Cc1cc([C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CCO2)ccc1F ZINC000764485335 1127500137 /nfs/dbraw/zinc/50/01/37/1127500137.db2.gz PNMGPQYGOAJIGH-HXUWFJFHSA-N 1 2 340.398 3.610 20 30 EHEDLO Cc1cc([C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CCO2)ccc1F ZINC000764485335 1127500139 /nfs/dbraw/zinc/50/01/39/1127500139.db2.gz PNMGPQYGOAJIGH-HXUWFJFHSA-N 1 2 340.398 3.610 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000765067753 1127569677 /nfs/dbraw/zinc/56/96/77/1127569677.db2.gz MQASRCZCWYOHFC-AWEZNQCLSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@@H](C)C2(C)CC2)c1=S ZINC000765067753 1127569680 /nfs/dbraw/zinc/56/96/80/1127569680.db2.gz MQASRCZCWYOHFC-AWEZNQCLSA-N 1 2 343.500 3.740 20 30 EHEDLO N#CC1(c2ccc(Nc3ccc[nH+]c3N3CCOCC3)cc2)CCCC1 ZINC001212362998 1128009156 /nfs/dbraw/zinc/00/91/56/1128009156.db2.gz ZCKRISVDEVWNPR-UHFFFAOYSA-N 1 2 348.450 3.997 20 30 EHEDLO CC(C)Oc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1C#N ZINC000153558683 1128448347 /nfs/dbraw/zinc/44/83/47/1128448347.db2.gz CYWVUQJFRUQKQA-UHFFFAOYSA-N 1 2 346.390 3.783 20 30 EHEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ccc(C#N)cn2)c1 ZINC000301220622 1128579422 /nfs/dbraw/zinc/57/94/22/1128579422.db2.gz ATRQPZVNAZSZGD-UHFFFAOYSA-N 1 2 335.436 3.785 20 30 EHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ccc(C#N)cn2)c1 ZINC000301220622 1128579426 /nfs/dbraw/zinc/57/94/26/1128579426.db2.gz ATRQPZVNAZSZGD-UHFFFAOYSA-N 1 2 335.436 3.785 20 30 EHEDLO C[NH+](C)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1c(F)cccc1F ZINC000301308973 1128583428 /nfs/dbraw/zinc/58/34/28/1128583428.db2.gz XECJSJNQJQCACI-AWEZNQCLSA-N 1 2 336.773 3.600 20 30 EHEDLO N#Cc1cc(C(F)(F)F)ccc1NCCc1cn2ccccc2[nH+]1 ZINC000301480767 1128593421 /nfs/dbraw/zinc/59/34/21/1128593421.db2.gz RXTILUMZCKYSPS-UHFFFAOYSA-N 1 2 330.313 3.879 20 30 EHEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000191119458 1120662121 /nfs/dbraw/zinc/66/21/21/1120662121.db2.gz LJKRJHXIDUPSTJ-UHFFFAOYSA-N 1 2 340.423 3.552 20 30 EHEDLO C=CC[N@H+](CCOC)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000191119458 1120662124 /nfs/dbraw/zinc/66/21/24/1120662124.db2.gz LJKRJHXIDUPSTJ-UHFFFAOYSA-N 1 2 340.423 3.552 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209608 1121253084 /nfs/dbraw/zinc/25/30/84/1121253084.db2.gz PSNLZIODPOCGQV-CQSZACIVSA-N 1 2 331.489 3.596 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915209608 1121253086 /nfs/dbraw/zinc/25/30/86/1121253086.db2.gz PSNLZIODPOCGQV-CQSZACIVSA-N 1 2 331.489 3.596 20 30 EHEDLO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000326085709 1121745056 /nfs/dbraw/zinc/74/50/56/1121745056.db2.gz YSQTWDKJTGOFBS-UHFFFAOYSA-N 1 2 342.826 3.787 20 30 EHEDLO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000326085709 1121745061 /nfs/dbraw/zinc/74/50/61/1121745061.db2.gz YSQTWDKJTGOFBS-UHFFFAOYSA-N 1 2 342.826 3.787 20 30 EHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347465496 1121865723 /nfs/dbraw/zinc/86/57/23/1121865723.db2.gz PGQCIFSYKQPCCJ-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2Cc3cccc(Cl)c3C2)cc1 ZINC000347465496 1121865732 /nfs/dbraw/zinc/86/57/32/1121865732.db2.gz PGQCIFSYKQPCCJ-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccc(F)cc2F)CCO1 ZINC000915933630 1121993259 /nfs/dbraw/zinc/99/32/59/1121993259.db2.gz GFEVLVLYJZRTQH-ZDUSSCGKSA-N 1 2 331.366 3.636 20 30 EHEDLO C(=[NH+]Nc1cccc2ncccc21)c1ccccc1N1CCOCC1 ZINC000915964640 1122009827 /nfs/dbraw/zinc/00/98/27/1122009827.db2.gz HGVRUYXZPFPGDB-UHFFFAOYSA-N 1 2 332.407 3.517 20 30 EHEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccccc2C(F)(F)F)cc1 ZINC000916260141 1122105833 /nfs/dbraw/zinc/10/58/33/1122105833.db2.gz YYGIAUQOJJOGJE-UHFFFAOYSA-N 1 2 337.345 3.580 20 30 EHEDLO CCN(CCO)c1ccc(C=[NH+]Nc2ccccc2Cl)c(C)c1 ZINC000916262400 1122111490 /nfs/dbraw/zinc/11/14/90/1122111490.db2.gz DSAJGCRQDSFDNW-UHFFFAOYSA-N 1 2 331.847 3.913 20 30 EHEDLO CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000916325540 1122123570 /nfs/dbraw/zinc/12/35/70/1122123570.db2.gz SMXJWKRDXWYWRN-UHFFFAOYSA-N 1 2 349.291 3.660 20 30 EHEDLO C[N@H+](CCOc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000917073661 1122478966 /nfs/dbraw/zinc/47/89/66/1122478966.db2.gz LDFCXPPXGKZFGO-UHFFFAOYSA-N 1 2 345.786 3.631 20 30 EHEDLO C[N@@H+](CCOc1cccc(C#N)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000917073661 1122478967 /nfs/dbraw/zinc/47/89/67/1122478967.db2.gz LDFCXPPXGKZFGO-UHFFFAOYSA-N 1 2 345.786 3.631 20 30 EHEDLO CC(C)CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917097101 1122497687 /nfs/dbraw/zinc/49/76/87/1122497687.db2.gz ZBHKAYBMBGQUDV-HNNXBMFYSA-N 1 2 341.480 3.983 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174958566 1123565333 /nfs/dbraw/zinc/56/53/33/1123565333.db2.gz LOLBUBXVOJSLRY-HZPDHXFCSA-N 1 2 342.512 3.879 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000174958566 1123565338 /nfs/dbraw/zinc/56/53/38/1123565338.db2.gz LOLBUBXVOJSLRY-HZPDHXFCSA-N 1 2 342.512 3.879 20 30 EHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610026559 1123719864 /nfs/dbraw/zinc/71/98/64/1123719864.db2.gz MPTRYNNEFYKBEF-UHFFFAOYSA-N 1 2 333.395 3.648 20 30 EHEDLO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000619847245 1125416393 /nfs/dbraw/zinc/41/63/93/1125416393.db2.gz GDJPNNNHMNCDBD-KRWDZBQOSA-N 1 2 331.872 3.784 20 30 EHEDLO N#Cc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc1 ZINC000082743969 1129513836 /nfs/dbraw/zinc/51/38/36/1129513836.db2.gz TUBGQLOTPPDVDG-UHFFFAOYSA-N 1 2 327.185 3.809 20 30 EHEDLO N#Cc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc1 ZINC000082743969 1129513840 /nfs/dbraw/zinc/51/38/40/1129513840.db2.gz TUBGQLOTPPDVDG-UHFFFAOYSA-N 1 2 327.185 3.809 20 30 EHEDLO N#CCCCOc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922526607 1129562820 /nfs/dbraw/zinc/56/28/20/1129562820.db2.gz SBPNGASFSXMEOE-UYAOXDASSA-N 1 2 340.398 3.931 20 30 EHEDLO N#Cc1ccc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)cc1 ZINC000735972275 1131395354 /nfs/dbraw/zinc/39/53/54/1131395354.db2.gz UQNSDWRYKYZQOT-UHFFFAOYSA-N 1 2 331.832 3.714 20 30 EHEDLO CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000172048000 1130102283 /nfs/dbraw/zinc/10/22/83/1130102283.db2.gz UZPJMHRZEVCZDJ-INIZCTEOSA-N 1 2 344.418 3.967 20 30 EHEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000429251388 1130366223 /nfs/dbraw/zinc/36/62/23/1130366223.db2.gz BCARFCADPQKMKI-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000429251388 1130366234 /nfs/dbraw/zinc/36/62/34/1130366234.db2.gz BCARFCADPQKMKI-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000730106079 1130672586 /nfs/dbraw/zinc/67/25/86/1130672586.db2.gz SFHDJGJJYJWADW-UTKZUKDTSA-N 1 2 347.462 3.896 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000730106079 1130672590 /nfs/dbraw/zinc/67/25/90/1130672590.db2.gz SFHDJGJJYJWADW-UTKZUKDTSA-N 1 2 347.462 3.896 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@H](CC/[NH+]=C/c2cccc(O)c2O)C1 ZINC000730950240 1130753107 /nfs/dbraw/zinc/75/31/07/1130753107.db2.gz BHAHAIXXLLUOSR-MQMKENTISA-N 1 2 348.443 3.554 20 30 EHEDLO C=CC1CC[NH+](Cn2[nH]c(/C=C\c3ccccc3)nc2=S)CC1 ZINC000732181147 1130893932 /nfs/dbraw/zinc/89/39/32/1130893932.db2.gz LNYFUUFGPQZEHL-HJWRWDBZSA-N 1 2 326.469 3.967 20 30 EHEDLO COC(=O)c1sccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347945050 1131097779 /nfs/dbraw/zinc/09/77/79/1131097779.db2.gz IAACPBRCLWWQEE-UHFFFAOYSA-N 1 2 338.432 3.696 20 30 EHEDLO COC(=O)c1sccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347945050 1131097780 /nfs/dbraw/zinc/09/77/80/1131097780.db2.gz IAACPBRCLWWQEE-UHFFFAOYSA-N 1 2 338.432 3.696 20 30 EHEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1c(F)cccc1N1CCOCC1 ZINC000741163402 1131581848 /nfs/dbraw/zinc/58/18/48/1131581848.db2.gz RWVYWQAYXCDUKK-UHFFFAOYSA-N 1 2 349.356 3.777 20 30 EHEDLO C[C@@H](OC(C)(C)C)[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172477424 1131737027 /nfs/dbraw/zinc/73/70/27/1131737027.db2.gz ZSBLRXZQAZAKOX-ZNMIVQPWSA-N 1 2 326.481 3.572 20 30 EHEDLO N#Cc1cccc2c(Nc3ccc(C[NH+]4CC(O)C4)cc3)cccc12 ZINC001212670365 1131780364 /nfs/dbraw/zinc/78/03/64/1131780364.db2.gz UOEDWQIUXJTVQQ-UHFFFAOYSA-N 1 2 329.403 3.632 20 30 EHEDLO C=CC[C@H]([NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F)C(=O)OC ZINC001172578493 1131792274 /nfs/dbraw/zinc/79/22/74/1131792274.db2.gz OMSCGUHVEVLZNB-BMIGLBTASA-N 1 2 331.790 3.647 20 30 EHEDLO CCCC[N@H+](CC#N)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173421662 1132070546 /nfs/dbraw/zinc/07/05/46/1132070546.db2.gz ZOMXNKOFIMAMHJ-UHFFFAOYSA-N 1 2 333.863 3.570 20 30 EHEDLO CCCC[N@@H+](CC#N)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173421662 1132070554 /nfs/dbraw/zinc/07/05/54/1132070554.db2.gz ZOMXNKOFIMAMHJ-UHFFFAOYSA-N 1 2 333.863 3.570 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccc(Br)cc1 ZINC001205988647 1132165819 /nfs/dbraw/zinc/16/58/19/1132165819.db2.gz HRZVIQUJXFHEGP-OAHLLOKOSA-N 1 2 331.238 3.846 20 30 EHEDLO N#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c2ccccc12 ZINC001174975195 1132510130 /nfs/dbraw/zinc/51/01/30/1132510130.db2.gz XNWXXRBIEOTSOH-UHFFFAOYSA-N 1 2 330.391 3.687 20 30 EHEDLO CN(C)c1ccc(Nc2cc(Br)cc(F)c2C#N)c[nH+]1 ZINC001175346647 1132628962 /nfs/dbraw/zinc/62/89/62/1132628962.db2.gz WBKHLFSBGJEUBR-UHFFFAOYSA-N 1 2 335.180 3.664 20 30 EHEDLO N#Cc1cnnc(-c2ccccc2)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347577 1132630239 /nfs/dbraw/zinc/63/02/39/1132630239.db2.gz PHPRXTXGDYDIFD-UHFFFAOYSA-N 1 2 342.406 3.754 20 30 EHEDLO N#Cc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1N1CCCC1 ZINC001175352075 1132645558 /nfs/dbraw/zinc/64/55/58/1132645558.db2.gz RAIPJTDSALEHPI-UHFFFAOYSA-N 1 2 333.439 3.897 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001177015926 1133022751 /nfs/dbraw/zinc/02/27/51/1133022751.db2.gz SUIYQIBVKHSTHX-QGZVFWFLSA-N 1 2 349.272 3.856 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@]12CCCOC2 ZINC001177015926 1133022754 /nfs/dbraw/zinc/02/27/54/1133022754.db2.gz SUIYQIBVKHSTHX-QGZVFWFLSA-N 1 2 349.272 3.856 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)Oc1ccc(C#N)cc1F)c1ccccc1 ZINC000769738510 1133341044 /nfs/dbraw/zinc/34/10/44/1133341044.db2.gz QQDXXEJNQZGNLT-GOSISDBHSA-N 1 2 326.371 3.686 20 30 EHEDLO Cc1cccc(F)c1N[NH+]=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769839793 1133354404 /nfs/dbraw/zinc/35/44/04/1133354404.db2.gz GGPRXHDTXLETER-UHFFFAOYSA-N 1 2 331.366 3.556 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000770381722 1133417343 /nfs/dbraw/zinc/41/73/43/1133417343.db2.gz AXIODARVHBXERX-OAQYLSRUSA-N 1 2 334.419 3.697 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000770381722 1133417346 /nfs/dbraw/zinc/41/73/46/1133417346.db2.gz AXIODARVHBXERX-OAQYLSRUSA-N 1 2 334.419 3.697 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000770353340 1133420451 /nfs/dbraw/zinc/42/04/51/1133420451.db2.gz AVGNVZLEBRSEAQ-CYBMUJFWSA-N 1 2 328.362 3.814 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000770353340 1133420457 /nfs/dbraw/zinc/42/04/57/1133420457.db2.gz AVGNVZLEBRSEAQ-CYBMUJFWSA-N 1 2 328.362 3.814 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000770392664 1133422336 /nfs/dbraw/zinc/42/23/36/1133422336.db2.gz UJTZCIORSYLKOC-NRFANRHFSA-N 1 2 334.419 3.697 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000770392664 1133422340 /nfs/dbraw/zinc/42/23/40/1133422340.db2.gz UJTZCIORSYLKOC-NRFANRHFSA-N 1 2 334.419 3.697 20 30 EHEDLO N#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(Cl)c1Cl ZINC000770416664 1133426053 /nfs/dbraw/zinc/42/60/53/1133426053.db2.gz OKSOYAVOFLHROQ-GFCCVEGCSA-N 1 2 345.189 3.636 20 30 EHEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(F)c1 ZINC001181277533 1133475225 /nfs/dbraw/zinc/47/52/25/1133475225.db2.gz ZGLPQGCSCQQHHW-UHFFFAOYSA-N 1 2 343.833 3.981 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC001182797444 1133729443 /nfs/dbraw/zinc/72/94/43/1133729443.db2.gz GWRSKZXKFMMVOJ-OAHLLOKOSA-N 1 2 330.391 3.545 20 30 EHEDLO N#Cc1cc2ccccc2nc1NCc1ccccc1-n1cc[nH+]c1 ZINC000785836763 1133759442 /nfs/dbraw/zinc/75/94/42/1133759442.db2.gz FJNCDDMRZMKRCA-UHFFFAOYSA-N 1 2 325.375 3.904 20 30 EHEDLO N#Cc1sc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc1Cl ZINC000787896663 1134056488 /nfs/dbraw/zinc/05/64/88/1134056488.db2.gz LFZHANUTSGSIKY-UHFFFAOYSA-N 1 2 333.779 3.605 20 30 EHEDLO CN(CCC#N)c1ccc(C[NH2+]CC(F)(F)c2ccccc2)cc1 ZINC000788970347 1134197277 /nfs/dbraw/zinc/19/72/77/1134197277.db2.gz RCFMHTPNCHHBKB-UHFFFAOYSA-N 1 2 329.394 3.918 20 30 EHEDLO N#Cc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)cc1F ZINC001170094633 1134205610 /nfs/dbraw/zinc/20/56/10/1134205610.db2.gz UXWLEMBWAJHUIO-UHFFFAOYSA-N 1 2 345.175 3.948 20 30 EHEDLO N#Cc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)cc1F ZINC001170094633 1134205616 /nfs/dbraw/zinc/20/56/16/1134205616.db2.gz UXWLEMBWAJHUIO-UHFFFAOYSA-N 1 2 345.175 3.948 20 30 EHEDLO N#Cc1ccc(CNc2cc[nH+]c(OCc3ccccn3)c2)cc1F ZINC001170096086 1134210207 /nfs/dbraw/zinc/21/02/07/1134210207.db2.gz KVDMQRNHRIOOQP-UHFFFAOYSA-N 1 2 334.354 3.678 20 30 EHEDLO O=C1c2ccc(Cl)nc2C/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000806577382 1135465179 /nfs/dbraw/zinc/46/51/79/1135465179.db2.gz BTHSGGDQVYXPML-BJMVGYQFSA-N 1 2 327.796 3.805 20 30 EHEDLO C=C[C@@](C)(CC)c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180699 1135576316 /nfs/dbraw/zinc/57/63/16/1135576316.db2.gz FZFISZWONKQICE-XLIONFOSSA-N 1 2 341.455 3.805 20 30 EHEDLO C=C[C@@](C)(CC)c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180699 1135576321 /nfs/dbraw/zinc/57/63/21/1135576321.db2.gz FZFISZWONKQICE-XLIONFOSSA-N 1 2 341.455 3.805 20 30 EHEDLO Clc1nc(Nc2ccccc2)sc1C=[NH+]N[C@@H]1CCSC1 ZINC000807999625 1135601801 /nfs/dbraw/zinc/60/18/01/1135601801.db2.gz RUIBMUOCARLOBF-LLVKDONJSA-N 1 2 338.889 3.969 20 30 EHEDLO C#CCOc1ccc(C[NH2+][C@@H](C#C)c2ccc(Cl)cc2F)cc1 ZINC000809699454 1135868438 /nfs/dbraw/zinc/86/84/38/1135868438.db2.gz OLCIBFUQHHIYLN-IBGZPJMESA-N 1 2 327.786 3.955 20 30 EHEDLO CCCC[C@@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000810126410 1135924812 /nfs/dbraw/zinc/92/48/12/1135924812.db2.gz XCZQRDBHYRWVKK-ZIAGYGMSSA-N 1 2 329.469 3.983 20 30 EHEDLO CCCC[C@@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000810126410 1135924815 /nfs/dbraw/zinc/92/48/15/1135924815.db2.gz XCZQRDBHYRWVKK-ZIAGYGMSSA-N 1 2 329.469 3.983 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@H](C#N)c2nccc3ccccc32)C1 ZINC000810715909 1135995924 /nfs/dbraw/zinc/99/59/24/1135995924.db2.gz CNDCXCWZFNAVSE-UZLBHIALSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@H](C#N)c2nccc3ccccc32)C1 ZINC000810715909 1135995930 /nfs/dbraw/zinc/99/59/30/1135995930.db2.gz CNDCXCWZFNAVSE-UZLBHIALSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)C(C#N)c2nccc3ccccc32)C1 ZINC000810715909 1135995934 /nfs/dbraw/zinc/99/59/34/1135995934.db2.gz CNDCXCWZFNAVSE-UZLBHIALSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)C(C#N)c2nccc3ccccc32)C1 ZINC000810715909 1135995935 /nfs/dbraw/zinc/99/59/35/1135995935.db2.gz CNDCXCWZFNAVSE-UZLBHIALSA-N 1 2 339.414 3.624 20 30 EHEDLO COC(=O)c1ccccc1N[NH+]=Cc1c(F)cccc1N1CCCC1 ZINC000776189348 1136024350 /nfs/dbraw/zinc/02/43/50/1136024350.db2.gz GYCWMRUDDLKOKD-UHFFFAOYSA-N 1 2 341.386 3.659 20 30 EHEDLO N#Cc1cc(C(F)(F)F)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001201691849 1136057438 /nfs/dbraw/zinc/05/74/38/1136057438.db2.gz STYRWQFFSXOOTI-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cc([N+](=O)[O-])ccc3F)n2c1 ZINC000814191443 1136416088 /nfs/dbraw/zinc/41/60/88/1136416088.db2.gz PZOYMCIXSWHGII-GQCTYLIASA-N 1 2 325.299 3.586 20 30 EHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccccc1 ZINC000852319136 1136447785 /nfs/dbraw/zinc/44/77/85/1136447785.db2.gz HIDXNFOGZKQNJU-FQEVSTJZSA-N 1 2 349.478 3.962 20 30 EHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccccc1 ZINC000852319136 1136447788 /nfs/dbraw/zinc/44/77/88/1136447788.db2.gz HIDXNFOGZKQNJU-FQEVSTJZSA-N 1 2 349.478 3.962 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000852328380 1136448938 /nfs/dbraw/zinc/44/89/38/1136448938.db2.gz DBTIUCPGGILSMR-IBGZPJMESA-N 1 2 343.377 3.740 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000852328380 1136448939 /nfs/dbraw/zinc/44/89/39/1136448939.db2.gz DBTIUCPGGILSMR-IBGZPJMESA-N 1 2 343.377 3.740 20 30 EHEDLO CC(C)Oc1cccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852326277 1136449028 /nfs/dbraw/zinc/44/90/28/1136449028.db2.gz NBEWRDYWXVNOOD-OAQYLSRUSA-N 1 2 335.451 3.926 20 30 EHEDLO CC(C)Oc1cccc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852326277 1136449030 /nfs/dbraw/zinc/44/90/30/1136449030.db2.gz NBEWRDYWXVNOOD-OAQYLSRUSA-N 1 2 335.451 3.926 20 30 EHEDLO CC(=[NH+]Nc1ccccc1Br)c1cc([N+](=O)[O-])ccc1N ZINC000814792027 1136505293 /nfs/dbraw/zinc/50/52/93/1136505293.db2.gz MFMQQWHSOZZTRF-UHFFFAOYSA-N 1 2 349.188 3.776 20 30 EHEDLO CC1(C)CC(=[NH+]NCc2cc(F)ccc2F)c2cc(N)ccc2O1 ZINC000814872578 1136518586 /nfs/dbraw/zinc/51/85/86/1136518586.db2.gz QRKKXKDNHKHUKQ-UHFFFAOYSA-N 1 2 331.366 3.602 20 30 EHEDLO Clc1cc(Cl)c(N=NCc2c[nH+]c3n2CCC3)nc1Cl ZINC000853271385 1136523075 /nfs/dbraw/zinc/52/30/75/1136523075.db2.gz IRQDYMBUCWDSLL-UHFFFAOYSA-N 1 2 330.606 3.631 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCOC2(CCSCC2)C1 ZINC000853452257 1136533605 /nfs/dbraw/zinc/53/36/05/1136533605.db2.gz IHVTUKXWNUKNLV-INIZCTEOSA-N 1 2 346.496 3.731 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000853536936 1136542253 /nfs/dbraw/zinc/54/22/53/1136542253.db2.gz ZHKKQHIDKBXJOQ-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000853536936 1136542255 /nfs/dbraw/zinc/54/22/55/1136542255.db2.gz ZHKKQHIDKBXJOQ-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816600161 1136740028 /nfs/dbraw/zinc/74/00/28/1136740028.db2.gz NERKIWVKFNHHOP-UHFFFAOYSA-N 1 2 345.805 3.637 20 30 EHEDLO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000816632198 1136747143 /nfs/dbraw/zinc/74/71/43/1136747143.db2.gz YETPOVBVJZUNDB-UHFFFAOYSA-N 1 2 330.432 3.567 20 30 EHEDLO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(C)(C)C#N ZINC000816632198 1136747146 /nfs/dbraw/zinc/74/71/46/1136747146.db2.gz YETPOVBVJZUNDB-UHFFFAOYSA-N 1 2 330.432 3.567 20 30 EHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)ccc(C)c2Cl)C1 ZINC001138030677 1136815708 /nfs/dbraw/zinc/81/57/08/1136815708.db2.gz NZKWHCFJYVDEPP-ZDUSSCGKSA-N 1 2 340.826 3.664 20 30 EHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(F)ccc(C)c2Cl)C1 ZINC001138030677 1136815712 /nfs/dbraw/zinc/81/57/12/1136815712.db2.gz NZKWHCFJYVDEPP-ZDUSSCGKSA-N 1 2 340.826 3.664 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@H](C)C2)c(C#N)c1C ZINC000857200398 1136852632 /nfs/dbraw/zinc/85/26/32/1136852632.db2.gz ILNJJWORLULSDG-TZMCWYRMSA-N 1 2 337.423 3.714 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@H](C)C2)c(C#N)c1C ZINC000857200398 1136852635 /nfs/dbraw/zinc/85/26/35/1136852635.db2.gz ILNJJWORLULSDG-TZMCWYRMSA-N 1 2 337.423 3.714 20 30 EHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc3ccccc3c([N+](=O)[O-])c2)cc1 ZINC001170989007 1137062990 /nfs/dbraw/zinc/06/29/90/1137062990.db2.gz HNPDRRZSAUOGPK-UHFFFAOYSA-N 1 2 349.346 3.572 20 30 EHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC000862402760 1137142592 /nfs/dbraw/zinc/14/25/92/1137142592.db2.gz RGDOVGKGBLPOAQ-TXEJJXNPSA-N 1 2 329.774 3.610 20 30 EHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC000862402760 1137142593 /nfs/dbraw/zinc/14/25/93/1137142593.db2.gz RGDOVGKGBLPOAQ-TXEJJXNPSA-N 1 2 329.774 3.610 20 30 EHEDLO Cc1ccn2c(C[NH+]3CCC(C#N)(c4ccccc4F)CC3)cnc2c1 ZINC001136894642 1137143687 /nfs/dbraw/zinc/14/36/87/1137143687.db2.gz XYUSBSSWMMCNKD-UHFFFAOYSA-N 1 2 348.425 3.839 20 30 EHEDLO C#Cc1ccc(CNc2[nH+]cccc2CNC(=O)OC(C)(C)C)cc1 ZINC000825072861 1137164288 /nfs/dbraw/zinc/16/42/88/1137164288.db2.gz MZYVVUMVZHKKPP-UHFFFAOYSA-N 1 2 337.423 3.700 20 30 EHEDLO Cc1ccn(C[NH+]2CCC(c3cccc(Cl)c3)CC2)c(=O)c1C#N ZINC000794684538 1137226102 /nfs/dbraw/zinc/22/61/02/1137226102.db2.gz WVWAHIXSPKXIJN-UHFFFAOYSA-N 1 2 341.842 3.519 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)CC2CCC2)c1=S ZINC000794683679 1137226220 /nfs/dbraw/zinc/22/62/20/1137226220.db2.gz PFUSYHOMCGEMPH-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)CC2CCC2)c1=S ZINC000794683679 1137226221 /nfs/dbraw/zinc/22/62/21/1137226221.db2.gz PFUSYHOMCGEMPH-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO N#Cc1cccc2c1C[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000844472023 1137227038 /nfs/dbraw/zinc/22/70/38/1137227038.db2.gz KKMWRZUSWDJJAF-KRWDZBQOSA-N 1 2 332.325 3.626 20 30 EHEDLO N#Cc1cccc2c1C[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000844472023 1137227040 /nfs/dbraw/zinc/22/70/40/1137227040.db2.gz KKMWRZUSWDJJAF-KRWDZBQOSA-N 1 2 332.325 3.626 20 30 EHEDLO CCN(C)c1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794698770 1137236539 /nfs/dbraw/zinc/23/65/39/1137236539.db2.gz BQLANNUALKDSQT-ZHACJKMWSA-N 1 2 329.469 3.557 20 30 EHEDLO CCCC[N@H+](CCC#N)Cc1cc(Br)c(F)cc1O ZINC001144299903 1137268824 /nfs/dbraw/zinc/26/88/24/1137268824.db2.gz LXOMTDOMALEYOX-UHFFFAOYSA-N 1 2 329.213 3.810 20 30 EHEDLO CCCC[N@@H+](CCC#N)Cc1cc(Br)c(F)cc1O ZINC001144299903 1137268826 /nfs/dbraw/zinc/26/88/26/1137268826.db2.gz LXOMTDOMALEYOX-UHFFFAOYSA-N 1 2 329.213 3.810 20 30 EHEDLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccc(OCC#N)cc1 ZINC000866295087 1137343547 /nfs/dbraw/zinc/34/35/47/1137343547.db2.gz RMLJUHPXTNYJQD-IXDGSTSKSA-N 1 2 326.371 3.711 20 30 EHEDLO C#CCOc1cccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC001146476979 1137391030 /nfs/dbraw/zinc/39/10/30/1137391030.db2.gz BJQRDDXWKDAHDZ-IBGZPJMESA-N 1 2 345.402 3.582 20 30 EHEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171339257 1137436017 /nfs/dbraw/zinc/43/60/17/1137436017.db2.gz DKDUUFTZTHCDBI-QAPCUYQASA-N 1 2 337.410 3.556 20 30 EHEDLO N#CCc1ccc(NCCc2ccc(OCc3ccccn3)cc2)[nH+]c1 ZINC001171424459 1137479288 /nfs/dbraw/zinc/47/92/88/1137479288.db2.gz OYKJJFWGWBVMRD-UHFFFAOYSA-N 1 2 344.418 3.776 20 30 EHEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](CC)CO1 ZINC001171778176 1137510076 /nfs/dbraw/zinc/51/00/76/1137510076.db2.gz JUTQBSGHMVQPKN-IRXDYDNUSA-N 1 2 325.374 3.946 20 30 EHEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](CC)CO1 ZINC001171778176 1137510077 /nfs/dbraw/zinc/51/00/77/1137510077.db2.gz JUTQBSGHMVQPKN-IRXDYDNUSA-N 1 2 325.374 3.946 20 30 EHEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171832650 1137515183 /nfs/dbraw/zinc/51/51/83/1137515183.db2.gz XOBCFJPGMCVKQG-CRAIPNDOSA-N 1 2 335.492 3.836 20 30 EHEDLO C=CC[C@@](C)([NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)OC ZINC001171962948 1137519828 /nfs/dbraw/zinc/51/98/28/1137519828.db2.gz GUZFLYKGUYZHNB-BLLLJJGKSA-N 1 2 329.362 3.734 20 30 EHEDLO CC(C)[C@](C)(C#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081992 1137531790 /nfs/dbraw/zinc/53/17/90/1137531790.db2.gz FBBGMLNIXNWMCJ-RCJHGTSTSA-N 1 2 335.492 3.835 20 30 EHEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001172297430 1137548733 /nfs/dbraw/zinc/54/87/33/1137548733.db2.gz PLWWSICMBRAOCC-KRWDZBQOSA-N 1 2 348.446 3.745 20 30 EHEDLO C#C[C@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000877512831 1137678999 /nfs/dbraw/zinc/67/89/99/1137678999.db2.gz CNFIEJYFKHXISD-MRXNPFEDSA-N 1 2 341.480 3.946 20 30 EHEDLO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(C(F)(F)F)nc1Cl ZINC000877549927 1137680957 /nfs/dbraw/zinc/68/09/57/1137680957.db2.gz KIHDXXPUUGMPCQ-VIFPVBQESA-N 1 2 340.736 3.871 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)OCC ZINC000877671992 1137685216 /nfs/dbraw/zinc/68/52/16/1137685216.db2.gz UEGAHGDHQLVNAN-PREGVCBESA-N 1 2 343.895 3.921 20 30 EHEDLO COc1cccc2c1OCCC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000883330747 1137855631 /nfs/dbraw/zinc/85/56/31/1137855631.db2.gz KVVUQHHTMGVVBU-DYVFJYSZSA-N 1 2 338.407 3.837 20 30 EHEDLO Cc1ccc2c(Nc3c(C#N)cnn3C3CCOCC3)cccc2[nH+]1 ZINC001212795883 1137866075 /nfs/dbraw/zinc/86/60/75/1137866075.db2.gz HFTGSXCRKNZMHZ-UHFFFAOYSA-N 1 2 333.395 3.707 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000076804992 1138134826 /nfs/dbraw/zinc/13/48/26/1138134826.db2.gz YVVRPMIFKQJCIK-AWEZNQCLSA-N 1 2 329.425 3.769 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000076804992 1138134827 /nfs/dbraw/zinc/13/48/27/1138134827.db2.gz YVVRPMIFKQJCIK-AWEZNQCLSA-N 1 2 329.425 3.769 20 30 EHEDLO COc1cccc(/C=[NH+]/CCC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000887270375 1138252261 /nfs/dbraw/zinc/25/22/61/1138252261.db2.gz MTFRKOATFQHPBJ-XDHOZWIPSA-N 1 2 336.432 3.513 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000337254057 1138509651 /nfs/dbraw/zinc/50/96/51/1138509651.db2.gz QHNQINXUMFJKSP-ZIAGYGMSSA-N 1 2 336.505 3.851 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000337254057 1138509652 /nfs/dbraw/zinc/50/96/52/1138509652.db2.gz QHNQINXUMFJKSP-ZIAGYGMSSA-N 1 2 336.505 3.851 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000337254055 1138509662 /nfs/dbraw/zinc/50/96/62/1138509662.db2.gz QHNQINXUMFJKSP-KGLIPLIRSA-N 1 2 336.505 3.851 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000337254055 1138509664 /nfs/dbraw/zinc/50/96/64/1138509664.db2.gz QHNQINXUMFJKSP-KGLIPLIRSA-N 1 2 336.505 3.851 20 30 EHEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1c[nH+]c2ccccn12 ZINC000338401983 1138893046 /nfs/dbraw/zinc/89/30/46/1138893046.db2.gz PZWDSQOTIAGKIF-UHFFFAOYSA-N 1 2 348.793 3.531 20 30 EHEDLO COc1ccc(-c2noc([C@H](C)[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000153410681 1139135483 /nfs/dbraw/zinc/13/54/83/1139135483.db2.gz SFNAVFOEWPYKJN-AWEZNQCLSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1ccc(-c2noc([C@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000153410681 1139135485 /nfs/dbraw/zinc/13/54/85/1139135485.db2.gz SFNAVFOEWPYKJN-AWEZNQCLSA-N 1 2 348.406 3.810 20 30 EHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(C#N)cs3)n2)C1 ZINC000175776146 1139517908 /nfs/dbraw/zinc/51/79/08/1139517908.db2.gz ZKDMWZOQQWDQLS-NSHDSACASA-N 1 2 346.481 3.560 20 30 EHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(C#N)cs3)n2)C1 ZINC000175776146 1139517912 /nfs/dbraw/zinc/51/79/12/1139517912.db2.gz ZKDMWZOQQWDQLS-NSHDSACASA-N 1 2 346.481 3.560 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC(C[N@H+](CCC#N)Cc2ccco2)CC1 ZINC000176289118 1139549979 /nfs/dbraw/zinc/54/99/79/1139549979.db2.gz LTZRUDXVHLPGRQ-UHFFFAOYSA-N 1 2 347.459 3.642 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC(C[N@@H+](CCC#N)Cc2ccco2)CC1 ZINC000176289118 1139549981 /nfs/dbraw/zinc/54/99/81/1139549981.db2.gz LTZRUDXVHLPGRQ-UHFFFAOYSA-N 1 2 347.459 3.642 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184894306 1140124861 /nfs/dbraw/zinc/12/48/61/1140124861.db2.gz KMWMQCWKVPVCBA-JKSUJKDBSA-N 1 2 341.455 3.805 20 30 EHEDLO C=CCC[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000188801261 1140309371 /nfs/dbraw/zinc/30/93/71/1140309371.db2.gz AFLSJDFIQOYXDN-OALUTQOASA-N 1 2 335.451 3.527 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnn(C(C)(C)C)c1 ZINC000348869313 1141600076 /nfs/dbraw/zinc/60/00/76/1141600076.db2.gz MQBNDFDIBTXSFS-UHFFFAOYSA-N 1 2 329.492 3.994 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnn(C(C)(C)C)c1 ZINC000348869313 1141600077 /nfs/dbraw/zinc/60/00/77/1141600077.db2.gz MQBNDFDIBTXSFS-UHFFFAOYSA-N 1 2 329.492 3.994 20 30 EHEDLO N#Cc1cnccc1/C=C/c1c[nH+]c2ccc(Br)cn12 ZINC000349108499 1141640865 /nfs/dbraw/zinc/64/08/65/1141640865.db2.gz LJOCYTZDAODXAX-HNQUOIGGSA-N 1 2 325.169 3.534 20 30 EHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000376595098 1016736964 /nfs/dbraw/zinc/73/69/64/1016736964.db2.gz KKSLAYNMVUNBFS-UHFFFAOYSA-N 1 2 329.806 3.931 20 30 EHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1c1ccsc1 ZINC000328661128 1017017330 /nfs/dbraw/zinc/01/73/30/1017017330.db2.gz WNDRIGZVMUTYEZ-INIZCTEOSA-N 1 2 344.484 3.575 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000080923291 1032207522 /nfs/dbraw/zinc/20/75/22/1032207522.db2.gz SZLYZMXMEUXTEL-UHFFFAOYSA-N 1 2 342.464 3.741 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000080923291 1032207539 /nfs/dbraw/zinc/20/75/39/1032207539.db2.gz SZLYZMXMEUXTEL-UHFFFAOYSA-N 1 2 342.464 3.741 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1c(F)cccc1F ZINC000340448084 1017865277 /nfs/dbraw/zinc/86/52/77/1017865277.db2.gz RDTTYHYHVVNLBE-NEPJUHHUSA-N 1 2 329.350 3.514 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000165002108 1018714616 /nfs/dbraw/zinc/71/46/16/1018714616.db2.gz XMQZNSURKHCLBF-IFXJQAMLSA-N 1 2 347.890 3.920 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000165002108 1018714631 /nfs/dbraw/zinc/71/46/31/1018714631.db2.gz XMQZNSURKHCLBF-IFXJQAMLSA-N 1 2 347.890 3.920 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000397618085 1018839293 /nfs/dbraw/zinc/83/92/93/1018839293.db2.gz QZMJLLNLWIGOEI-LBPRGKRZSA-N 1 2 335.245 3.510 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000397618085 1018839306 /nfs/dbraw/zinc/83/93/06/1018839306.db2.gz QZMJLLNLWIGOEI-LBPRGKRZSA-N 1 2 335.245 3.510 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1cccs1 ZINC000050274473 1019515092 /nfs/dbraw/zinc/51/50/92/1019515092.db2.gz ZYEJZVYTFAZMSY-UHFFFAOYSA-N 1 2 332.444 3.534 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1cccs1 ZINC000050274473 1019515110 /nfs/dbraw/zinc/51/51/10/1019515110.db2.gz ZYEJZVYTFAZMSY-UHFFFAOYSA-N 1 2 332.444 3.534 20 30 EHEDLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000280402005 1020346488 /nfs/dbraw/zinc/34/64/88/1020346488.db2.gz KYVOIKSZLMPJBP-UHFFFAOYSA-N 1 2 343.452 3.561 20 30 EHEDLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000280402005 1020346500 /nfs/dbraw/zinc/34/65/00/1020346500.db2.gz KYVOIKSZLMPJBP-UHFFFAOYSA-N 1 2 343.452 3.561 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc([N+](=O)[O-])cc1Cl ZINC000588421391 1021280765 /nfs/dbraw/zinc/28/07/65/1021280765.db2.gz QGAAFBBAJAKPFU-ALCCZGGFSA-N 1 2 327.727 3.792 20 30 EHEDLO CCN(CC)c1ncc(C[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000155400277 1021659519 /nfs/dbraw/zinc/65/95/19/1021659519.db2.gz PUAHNTXULGERFN-UHFFFAOYSA-N 1 2 332.448 3.632 20 30 EHEDLO CCN(CC)c1ncc(C[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000155400277 1021659528 /nfs/dbraw/zinc/65/95/28/1021659528.db2.gz PUAHNTXULGERFN-UHFFFAOYSA-N 1 2 332.448 3.632 20 30 EHEDLO C[C@@H](C#N)C[N@H+](C)Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000891717211 1022448630 /nfs/dbraw/zinc/44/86/30/1022448630.db2.gz ZLSISMQRGJNMHZ-ZDUSSCGKSA-N 1 2 340.377 3.871 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000891717211 1022448636 /nfs/dbraw/zinc/44/86/36/1022448636.db2.gz ZLSISMQRGJNMHZ-ZDUSSCGKSA-N 1 2 340.377 3.871 20 30 EHEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000178298425 1022459944 /nfs/dbraw/zinc/45/99/44/1022459944.db2.gz IGEJSAHEVUXTQT-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000178298425 1022459950 /nfs/dbraw/zinc/45/99/50/1022459950.db2.gz IGEJSAHEVUXTQT-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO C=C[C@](C)(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003142 1022644866 /nfs/dbraw/zinc/64/48/66/1022644866.db2.gz SLQGJVATXFAVAB-RIFZZMRRSA-N 1 2 341.455 3.885 20 30 EHEDLO C=C[C@](C)(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003142 1022644872 /nfs/dbraw/zinc/64/48/72/1022644872.db2.gz SLQGJVATXFAVAB-RIFZZMRRSA-N 1 2 341.455 3.885 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2[C@H](C)C[C@H]2C)c1C#N ZINC000548425352 1023085256 /nfs/dbraw/zinc/08/52/56/1023085256.db2.gz ABLXSVMYRKAMCD-CHWSQXEVSA-N 1 2 328.460 3.513 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1cccs1 ZINC000510779314 1023157531 /nfs/dbraw/zinc/15/75/31/1023157531.db2.gz OOHKDHRBHUPSOR-FUHWJXTLSA-N 1 2 332.513 3.917 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1cccs1 ZINC000510779314 1023157540 /nfs/dbraw/zinc/15/75/40/1023157540.db2.gz OOHKDHRBHUPSOR-FUHWJXTLSA-N 1 2 332.513 3.917 20 30 EHEDLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507275746 1023226168 /nfs/dbraw/zinc/22/61/68/1023226168.db2.gz DFNAVFHHROAEDZ-AWEZNQCLSA-N 1 2 327.378 3.720 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000128248939 1033148305 /nfs/dbraw/zinc/14/83/05/1033148305.db2.gz ZMIKQHOOUVLWOP-ZDUSSCGKSA-N 1 2 332.329 3.663 20 30 EHEDLO Cc1cn2cc(NC(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)ccc2[nH+]1 ZINC000329668821 1024025086 /nfs/dbraw/zinc/02/50/86/1024025086.db2.gz RCRQGFZFNCDFCF-CQSZACIVSA-N 1 2 349.438 3.910 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000329743634 1024172810 /nfs/dbraw/zinc/17/28/10/1024172810.db2.gz XIZSEPUOYGKCDT-RHSMWYFYSA-N 1 2 344.846 3.672 20 30 EHEDLO CC(C)(C)C(=O)NC1CCC(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329889323 1024237311 /nfs/dbraw/zinc/23/73/11/1024237311.db2.gz DJJBUWRGDKYEPZ-YMAMQOFZSA-N 1 2 346.475 3.716 20 30 EHEDLO Cc1[nH+]c[nH]c1CNC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000329920970 1024252056 /nfs/dbraw/zinc/25/20/56/1024252056.db2.gz HGJSPGODTCMYQI-UHFFFAOYSA-N 1 2 332.448 3.880 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCCc1ccccc1 ZINC000434658518 1024263314 /nfs/dbraw/zinc/26/33/14/1024263314.db2.gz FLBMRWUMMQXJRQ-FQEVSTJZSA-N 1 2 336.435 3.727 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCCc1ccccc1 ZINC000434658518 1024263326 /nfs/dbraw/zinc/26/33/26/1024263326.db2.gz FLBMRWUMMQXJRQ-FQEVSTJZSA-N 1 2 336.435 3.727 20 30 EHEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330140610 1024334435 /nfs/dbraw/zinc/33/44/35/1024334435.db2.gz XDEVHQZWJYYOGA-UWVAXJGDSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330140610 1024334452 /nfs/dbraw/zinc/33/44/52/1024334452.db2.gz XDEVHQZWJYYOGA-UWVAXJGDSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H](c3[nH+]ccn3C)C1)CCC2 ZINC000330250295 1024372117 /nfs/dbraw/zinc/37/21/17/1024372117.db2.gz GUYLAAWSHGWOLA-SJLPKXTDSA-N 1 2 338.455 3.509 20 30 EHEDLO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000895402463 1024471859 /nfs/dbraw/zinc/47/18/59/1024471859.db2.gz GJMAQZKLOKRZKN-UHFFFAOYSA-N 1 2 340.393 3.730 20 30 EHEDLO CC(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000015742261 1024501264 /nfs/dbraw/zinc/50/12/64/1024501264.db2.gz RDNORDPTEFQDRN-UHFFFAOYSA-N 1 2 347.462 3.640 20 30 EHEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000434982090 1024527607 /nfs/dbraw/zinc/52/76/07/1024527607.db2.gz NIHHGXVENUNSBG-LSTHTHJFSA-N 1 2 335.451 3.785 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@H+]2CC=C(COC)CC2)c1=S ZINC000185024613 1024536934 /nfs/dbraw/zinc/53/69/34/1024536934.db2.gz UPXPTORCVXWCMX-UHFFFAOYSA-N 1 2 329.469 3.594 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@@H+]2CC=C(COC)CC2)c1=S ZINC000185024613 1024536943 /nfs/dbraw/zinc/53/69/43/1024536943.db2.gz UPXPTORCVXWCMX-UHFFFAOYSA-N 1 2 329.469 3.594 20 30 EHEDLO N#Cc1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cs1 ZINC000892076341 1024588471 /nfs/dbraw/zinc/58/84/71/1024588471.db2.gz XEAQVMSEIFQFQZ-UHFFFAOYSA-N 1 2 328.281 3.936 20 30 EHEDLO N#Cc1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cs1 ZINC000892076341 1024588477 /nfs/dbraw/zinc/58/84/77/1024588477.db2.gz XEAQVMSEIFQFQZ-UHFFFAOYSA-N 1 2 328.281 3.936 20 30 EHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000521187265 1025260883 /nfs/dbraw/zinc/26/08/83/1025260883.db2.gz GSDKMHAIAIXSBC-CQSZACIVSA-N 1 2 341.842 3.521 20 30 EHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000521187265 1025260896 /nfs/dbraw/zinc/26/08/96/1025260896.db2.gz GSDKMHAIAIXSBC-CQSZACIVSA-N 1 2 341.842 3.521 20 30 EHEDLO Cc1cncc(-c2nc(C[NH2+][C@H](CCCC#N)c3ccccc3)no2)c1 ZINC000451060122 1025484908 /nfs/dbraw/zinc/48/49/08/1025484908.db2.gz FKCCKORGCSWLLE-GOSISDBHSA-N 1 2 347.422 3.965 20 30 EHEDLO N#Cc1cc(Cl)ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000187724476 1025546039 /nfs/dbraw/zinc/54/60/39/1025546039.db2.gz NBJNGOAYEYPGPM-UHFFFAOYSA-N 1 2 341.842 3.656 20 30 EHEDLO CCc1[nH+]ccn1[C@H]1CCCN(C([O-])=[NH+]CCc2sccc2C)C1 ZINC000329263738 1025705099 /nfs/dbraw/zinc/70/50/99/1025705099.db2.gz FKDBRHRIZBRMLI-HNNXBMFYSA-N 1 2 346.500 3.609 20 30 EHEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1F ZINC000425554739 1025735446 /nfs/dbraw/zinc/73/54/46/1025735446.db2.gz XGPWEBUQPURERY-SJLPKXTDSA-N 1 2 330.790 3.659 20 30 EHEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1F ZINC000425554739 1025735464 /nfs/dbraw/zinc/73/54/64/1025735464.db2.gz XGPWEBUQPURERY-SJLPKXTDSA-N 1 2 330.790 3.659 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000522006589 1025878822 /nfs/dbraw/zinc/87/88/22/1025878822.db2.gz SPDJNNSZQLZNQW-ZIAGYGMSSA-N 1 2 328.441 3.867 20 30 EHEDLO CC(C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000277636544 1026405166 /nfs/dbraw/zinc/40/51/66/1026405166.db2.gz HFLLWCBXAHKION-SFHVURJKSA-N 1 2 328.456 3.680 20 30 EHEDLO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000277636544 1026405174 /nfs/dbraw/zinc/40/51/74/1026405174.db2.gz HFLLWCBXAHKION-SFHVURJKSA-N 1 2 328.456 3.680 20 30 EHEDLO CCc1ccc(-c2noc(C[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000046518045 1026868036 /nfs/dbraw/zinc/86/80/36/1026868036.db2.gz UCFDSHSPBZOBJQ-UHFFFAOYSA-N 1 2 332.407 3.803 20 30 EHEDLO CCc1ccc(-c2noc(C[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000046518045 1026868043 /nfs/dbraw/zinc/86/80/43/1026868043.db2.gz UCFDSHSPBZOBJQ-UHFFFAOYSA-N 1 2 332.407 3.803 20 30 EHEDLO N#Cc1ccc(COc2ccccc2-n2cc[nH+]c2)c(OC(F)F)c1 ZINC000531472841 1026960859 /nfs/dbraw/zinc/96/08/59/1026960859.db2.gz XOKBMGSCROUGBL-UHFFFAOYSA-N 1 2 341.317 3.924 20 30 EHEDLO N#Cc1ccc2ncc(CNc3ccc(-n4cc[nH+]c4)c(Cl)c3)n2c1 ZINC000127064572 1027268472 /nfs/dbraw/zinc/26/84/72/1027268472.db2.gz ZAWOLCNPMDWKAT-UHFFFAOYSA-N 1 2 348.797 3.657 20 30 EHEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459331788 1027679119 /nfs/dbraw/zinc/67/91/19/1027679119.db2.gz WWCGRRXVBCKLSA-UHFFFAOYSA-N 1 2 348.406 3.996 20 30 EHEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459331788 1027679126 /nfs/dbraw/zinc/67/91/26/1027679126.db2.gz WWCGRRXVBCKLSA-UHFFFAOYSA-N 1 2 348.406 3.996 20 30 EHEDLO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(C#N)cc1 ZINC000324219251 1028885688 /nfs/dbraw/zinc/88/56/88/1028885688.db2.gz PNRSOVRXWMXQSL-LLVKDONJSA-N 1 2 338.798 3.711 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000016634757 1029039587 /nfs/dbraw/zinc/03/95/87/1029039587.db2.gz VYHSLDUVXULVST-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000016634757 1029039601 /nfs/dbraw/zinc/03/96/01/1029039601.db2.gz VYHSLDUVXULVST-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO COCC[N@H+](Cc1cc(-c2ccccc2)on1)Cc1ccc(C#N)cc1 ZINC000503093682 1029057974 /nfs/dbraw/zinc/05/79/74/1029057974.db2.gz DLFNUXGSURELOH-UHFFFAOYSA-N 1 2 347.418 3.862 20 30 EHEDLO COCC[N@@H+](Cc1cc(-c2ccccc2)on1)Cc1ccc(C#N)cc1 ZINC000503093682 1029057986 /nfs/dbraw/zinc/05/79/86/1029057986.db2.gz DLFNUXGSURELOH-UHFFFAOYSA-N 1 2 347.418 3.862 20 30 EHEDLO N#CCCC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000458592844 1030157329 /nfs/dbraw/zinc/15/73/29/1030157329.db2.gz XKXJGCUKQSEJMO-SFHVURJKSA-N 1 2 347.422 3.569 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000550932252 1030820652 /nfs/dbraw/zinc/82/06/52/1030820652.db2.gz VNAYKRRGKQMMMM-HXUWFJFHSA-N 1 2 343.434 3.696 20 30 EHEDLO N#Cc1csc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)n1 ZINC000583990598 1031316156 /nfs/dbraw/zinc/31/61/56/1031316156.db2.gz WOAJJFGLWTXJAR-UHFFFAOYSA-N 1 2 344.509 3.730 20 30 EHEDLO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccoc1 ZINC000102409127 1031448314 /nfs/dbraw/zinc/44/83/14/1031448314.db2.gz APGDXSQRPRRVBO-UHFFFAOYSA-N 1 2 339.439 3.665 20 30 EHEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccoc1 ZINC000102409127 1031448325 /nfs/dbraw/zinc/44/83/25/1031448325.db2.gz APGDXSQRPRRVBO-UHFFFAOYSA-N 1 2 339.439 3.665 20 30 EHEDLO N#Cc1cc(F)c(CNc2ccc(N3CCCCC3)c[nH+]2)c(F)c1 ZINC000192750266 1031528645 /nfs/dbraw/zinc/52/86/45/1031528645.db2.gz AAAJRSGLEHSKPH-UHFFFAOYSA-N 1 2 328.366 3.834 20 30 EHEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000177373558 1031556820 /nfs/dbraw/zinc/55/68/20/1031556820.db2.gz QNGBHCKWIYDUQC-JOCHJYFZSA-N 1 2 331.868 3.561 20 30 EHEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000177373558 1031556831 /nfs/dbraw/zinc/55/68/31/1031556831.db2.gz QNGBHCKWIYDUQC-JOCHJYFZSA-N 1 2 331.868 3.561 20 30 EHEDLO C[NH+](C)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528011641 1031590759 /nfs/dbraw/zinc/59/07/59/1031590759.db2.gz PXCZRGNGCTUOJC-RBOXIYTFSA-N 1 2 326.271 3.878 20 30 EHEDLO N#CC1(c2ccc(CNc3ccc(N4CCCCC4)c[nH+]3)cc2)CC1 ZINC000594735551 1033507209 /nfs/dbraw/zinc/50/72/09/1033507209.db2.gz TUUGDNMCGGDNRY-UHFFFAOYSA-N 1 2 332.451 3.661 20 30 EHEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2n1CCCCC2 ZINC000595798539 1033986611 /nfs/dbraw/zinc/98/66/11/1033986611.db2.gz FCXABFFXOIJMMK-MRXNPFEDSA-N 1 2 343.862 3.770 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599682327 1034109487 /nfs/dbraw/zinc/10/94/87/1034109487.db2.gz HWCFJUPSVOCNPM-UHFFFAOYSA-N 1 2 325.225 3.886 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599682327 1034109495 /nfs/dbraw/zinc/10/94/95/1034109495.db2.gz HWCFJUPSVOCNPM-UHFFFAOYSA-N 1 2 325.225 3.886 20 30 EHEDLO CC(C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(F)c1 ZINC000179567230 1034501769 /nfs/dbraw/zinc/50/17/69/1034501769.db2.gz JULUGCCKGZXKTI-UHFFFAOYSA-N 1 2 336.370 3.772 20 30 EHEDLO N#Cc1cnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(Cl)c1 ZINC000450536007 1034510405 /nfs/dbraw/zinc/51/04/05/1034510405.db2.gz RMQNASCBYWZPRC-HDJSIYSDSA-N 1 2 327.819 3.837 20 30 EHEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230039 1034611947 /nfs/dbraw/zinc/61/19/47/1034611947.db2.gz OWCOYQKQMIZULR-SFHVURJKSA-N 1 2 328.847 3.878 20 30 EHEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597230039 1034611954 /nfs/dbraw/zinc/61/19/54/1034611954.db2.gz OWCOYQKQMIZULR-SFHVURJKSA-N 1 2 328.847 3.878 20 30 EHEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232885 1034612905 /nfs/dbraw/zinc/61/29/05/1034612905.db2.gz XRNOJJRQZXXCPM-NRFANRHFSA-N 1 2 336.483 3.964 20 30 EHEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232885 1034612910 /nfs/dbraw/zinc/61/29/10/1034612910.db2.gz XRNOJJRQZXXCPM-NRFANRHFSA-N 1 2 336.483 3.964 20 30 EHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000584476210 1034847093 /nfs/dbraw/zinc/84/70/93/1034847093.db2.gz UGYIUDUIOJHVNZ-CYBMUJFWSA-N 1 2 337.261 3.759 20 30 EHEDLO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(F)c1C#N)CCO2 ZINC000602016675 1034857905 /nfs/dbraw/zinc/85/79/05/1034857905.db2.gz JBDHWGCPAGCQBE-GOSISDBHSA-N 1 2 326.371 3.709 20 30 EHEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1C#N ZINC000581779343 1035551828 /nfs/dbraw/zinc/55/18/28/1035551828.db2.gz XYKJZAKVBMYPEW-ZDUSSCGKSA-N 1 2 346.887 3.860 20 30 EHEDLO Cc1cc(C)c(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)c[nH+]1 ZINC000582587425 1035993058 /nfs/dbraw/zinc/99/30/58/1035993058.db2.gz SMMJVKJKYRVBEB-UHFFFAOYSA-N 1 2 345.450 3.530 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c1C#N ZINC000535208680 1036166712 /nfs/dbraw/zinc/16/67/12/1036166712.db2.gz YETTZHKQWZQLJM-RDTXWAMCSA-N 1 2 338.407 3.911 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c1C#N ZINC000535208680 1036166714 /nfs/dbraw/zinc/16/67/14/1036166714.db2.gz YETTZHKQWZQLJM-RDTXWAMCSA-N 1 2 338.407 3.911 20 30 EHEDLO N#CCCC[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000590119901 1036764744 /nfs/dbraw/zinc/76/47/44/1036764744.db2.gz GPOWUDNUIYBDQT-KRWDZBQOSA-N 1 2 333.395 3.891 20 30 EHEDLO C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000052074211 1037111866 /nfs/dbraw/zinc/11/18/66/1037111866.db2.gz BXYMPOCYFKNNQH-HNNXBMFYSA-N 1 2 331.435 3.503 20 30 EHEDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000052074211 1037111873 /nfs/dbraw/zinc/11/18/73/1037111873.db2.gz BXYMPOCYFKNNQH-HNNXBMFYSA-N 1 2 331.435 3.503 20 30 EHEDLO C[C@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000491927846 1037792803 /nfs/dbraw/zinc/79/28/03/1037792803.db2.gz VPYASRSBSMVPFL-SCOAYWHSSA-N 1 2 342.402 3.635 20 30 EHEDLO Cc1ccccc1C1([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000592140067 1037859961 /nfs/dbraw/zinc/85/99/61/1037859961.db2.gz XPMRPOLNMDPXAR-UHFFFAOYSA-N 1 2 330.391 3.696 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000595306514 1037959999 /nfs/dbraw/zinc/95/99/99/1037959999.db2.gz NQVLSLSFBYCYGK-IBGZPJMESA-N 1 2 344.817 3.967 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000595306514 1037960013 /nfs/dbraw/zinc/96/00/13/1037960013.db2.gz NQVLSLSFBYCYGK-IBGZPJMESA-N 1 2 344.817 3.967 20 30 EHEDLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000123704943 1038061048 /nfs/dbraw/zinc/06/10/48/1038061048.db2.gz DFGCOBNJJUFLLV-RYUDHWBXSA-N 1 2 345.258 3.732 20 30 EHEDLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000123704943 1038061063 /nfs/dbraw/zinc/06/10/63/1038061063.db2.gz DFGCOBNJJUFLLV-RYUDHWBXSA-N 1 2 345.258 3.732 20 30 EHEDLO COc1c(C)c[nH+]c(CSCCOc2cccc(C#N)c2)c1C ZINC000538524578 1038345972 /nfs/dbraw/zinc/34/59/72/1038345972.db2.gz DACRBDSLKFCCAR-UHFFFAOYSA-N 1 2 328.437 3.891 20 30 EHEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2ccccc2OC)o1)c1ccccc1 ZINC000378502966 1038673568 /nfs/dbraw/zinc/67/35/68/1038673568.db2.gz NWASZBMHFDYFIZ-KRWDZBQOSA-N 1 2 333.391 3.599 20 30 EHEDLO Cc1nn(-c2ccccc2C)c(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000905411534 1038867639 /nfs/dbraw/zinc/86/76/39/1038867639.db2.gz KSFONUZEYIKRIL-UHFFFAOYSA-N 1 2 331.423 3.871 20 30 EHEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000043141687 1038995240 /nfs/dbraw/zinc/99/52/40/1038995240.db2.gz UYXJQGVXXXIQPW-UHFFFAOYSA-N 1 2 348.450 3.525 20 30 EHEDLO N#C[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC2CCC1CC2 ZINC000906348118 1039494052 /nfs/dbraw/zinc/49/40/52/1039494052.db2.gz BSNVUXSQEYBGBE-SVGDTCPJSA-N 1 2 338.386 3.670 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000489399060 1039938246 /nfs/dbraw/zinc/93/82/46/1039938246.db2.gz IHAJJZMXWQLERS-HOTGVXAUSA-N 1 2 343.496 3.917 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000489399060 1039938258 /nfs/dbraw/zinc/93/82/58/1039938258.db2.gz IHAJJZMXWQLERS-HOTGVXAUSA-N 1 2 343.496 3.917 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000489434179 1039973257 /nfs/dbraw/zinc/97/32/57/1039973257.db2.gz IBFPHUYONYCOIU-GFCCVEGCSA-N 1 2 328.485 3.693 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000489434179 1039973273 /nfs/dbraw/zinc/97/32/73/1039973273.db2.gz IBFPHUYONYCOIU-GFCCVEGCSA-N 1 2 328.485 3.693 20 30 EHEDLO Cc1c(C=[NH+]Nc2cc(C)cc(C)c2)c(=O)n(-c2ccccc2)n1C ZINC000912797827 1040307967 /nfs/dbraw/zinc/30/79/67/1040307967.db2.gz YHJKJDBYNBDWNK-UHFFFAOYSA-N 1 2 334.423 3.547 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](CC)CC#N)o2)cc1 ZINC000614248752 1040834213 /nfs/dbraw/zinc/83/42/13/1040834213.db2.gz YALYJQJBGFOOCX-INIZCTEOSA-N 1 2 326.396 3.905 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2cccs2)c(C#N)c1C ZINC000249343611 1040866398 /nfs/dbraw/zinc/86/63/98/1040866398.db2.gz TUFVTICLJDJEHA-WFASDCNBSA-N 1 2 343.452 3.994 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2c2cccs2)c(C#N)c1C ZINC000249343611 1040866413 /nfs/dbraw/zinc/86/64/13/1040866413.db2.gz TUFVTICLJDJEHA-WFASDCNBSA-N 1 2 343.452 3.994 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc2ccccc2n1 ZINC000660539484 1041646896 /nfs/dbraw/zinc/64/68/96/1041646896.db2.gz LWUHQUAQNGRWEJ-UHFFFAOYSA-N 1 2 335.455 3.986 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc2ccccc2n1 ZINC000660539484 1041646900 /nfs/dbraw/zinc/64/69/00/1041646900.db2.gz LWUHQUAQNGRWEJ-UHFFFAOYSA-N 1 2 335.455 3.986 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)[C@@H](C)COC ZINC000661241679 1042023673 /nfs/dbraw/zinc/02/36/73/1042023673.db2.gz DBDQMSLEBYCKNX-ZDUSSCGKSA-N 1 2 348.468 3.547 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)[C@@H](C)COC ZINC000661241679 1042023677 /nfs/dbraw/zinc/02/36/77/1042023677.db2.gz DBDQMSLEBYCKNX-ZDUSSCGKSA-N 1 2 348.468 3.547 20 30 EHEDLO C=CCn1c(C)cc(C(=O)COc2cccc(-n3cc[nH+]c3)c2)c1C ZINC000343879755 1042261504 /nfs/dbraw/zinc/26/15/04/1042261504.db2.gz JMXIIDAQYGKLRP-UHFFFAOYSA-N 1 2 335.407 3.738 20 30 EHEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000278988280 1043138474 /nfs/dbraw/zinc/13/84/74/1043138474.db2.gz RVHSARCVPKBBEM-VIFPVBQESA-N 1 2 341.358 3.893 20 30 EHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2CC[C@H](C#N)CC2)[nH+]1 ZINC001167845141 1043254591 /nfs/dbraw/zinc/25/45/91/1043254591.db2.gz ZFNANJYONHKWCT-RADQIRPCSA-N 1 2 346.500 3.765 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000183973999 1127391104 /nfs/dbraw/zinc/39/11/04/1127391104.db2.gz NWVZSUFJBJJMPX-KRWDZBQOSA-N 1 2 339.483 3.734 20 30 EHEDLO CCCCCCCC[C@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001670976376 1128403540 /nfs/dbraw/zinc/40/35/40/1128403540.db2.gz AUKJWHPWARJSMT-MRXNPFEDSA-N 1 2 332.448 3.567 20 30 EHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000301094513 1128572737 /nfs/dbraw/zinc/57/27/37/1128572737.db2.gz OUTONTWZXFTLGN-UHFFFAOYSA-N 1 2 345.368 3.899 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301931018 1128612465 /nfs/dbraw/zinc/61/24/65/1128612465.db2.gz ONLGUVXGKZKIRF-UHFFFAOYSA-N 1 2 348.454 3.870 20 30 EHEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3ccc(F)c(F)c3)n2c1 ZINC000360072951 1128675860 /nfs/dbraw/zinc/67/58/60/1128675860.db2.gz DPFRUOSWVGCGKB-GOSISDBHSA-N 1 2 338.361 3.821 20 30 EHEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3c3ccc(F)c(F)c3)n2c1 ZINC000360072951 1128675863 /nfs/dbraw/zinc/67/58/63/1128675863.db2.gz DPFRUOSWVGCGKB-GOSISDBHSA-N 1 2 338.361 3.821 20 30 EHEDLO C=CC[N@@H+](CCOC)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000191112262 1120662000 /nfs/dbraw/zinc/66/20/00/1120662000.db2.gz FZFARWZXZBIRLO-IBGZPJMESA-N 1 2 349.434 3.960 20 30 EHEDLO C=CC[N@H+](CCOC)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000191112262 1120662003 /nfs/dbraw/zinc/66/20/03/1120662003.db2.gz FZFARWZXZBIRLO-IBGZPJMESA-N 1 2 349.434 3.960 20 30 EHEDLO CCN(CC)c1ncc(C=[NH+]Nc2cccc3ncccc32)s1 ZINC000915963999 1122009291 /nfs/dbraw/zinc/00/92/91/1122009291.db2.gz QKJCLXSTZLYFSS-UHFFFAOYSA-N 1 2 325.441 3.984 20 30 EHEDLO CCOc1ccc(/C=[NH+]\CCCOCCc2ccccc2)c(O)c1 ZINC000917557368 1122636695 /nfs/dbraw/zinc/63/66/95/1122636695.db2.gz IJRYBXWHCPHRJD-PGMHBOJBSA-N 1 2 327.424 3.859 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cccs1 ZINC000072701855 1123144903 /nfs/dbraw/zinc/14/49/03/1123144903.db2.gz QNGPJWOLWDHNDG-UHFFFAOYSA-N 1 2 345.424 3.591 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1cccs1 ZINC000072701855 1123144905 /nfs/dbraw/zinc/14/49/05/1123144905.db2.gz QNGPJWOLWDHNDG-UHFFFAOYSA-N 1 2 345.424 3.591 20 30 EHEDLO CCOc1ccc(/C=N/Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(O)c1 ZINC000920387624 1123363851 /nfs/dbraw/zinc/36/38/51/1123363851.db2.gz SHPMLHBMPQMDHQ-WSDLNYQXSA-N 1 2 339.370 3.735 20 30 EHEDLO N#Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000616757909 1124033057 /nfs/dbraw/zinc/03/30/57/1124033057.db2.gz HGDYZRIIZCJIAD-GHMZBOCLSA-N 1 2 340.242 3.870 20 30 EHEDLO N#Cc1ccc2cc[nH+]c(NCc3ccc(Br)nc3)c2c1 ZINC001154686756 1131258188 /nfs/dbraw/zinc/25/81/88/1131258188.db2.gz XTQIAYHCXAKZLQ-UHFFFAOYSA-N 1 2 339.196 3.876 20 30 EHEDLO CCn1c[nH+]cc1/C=C1\CCc2c(Br)cccc2C1=O ZINC000901489407 1124840674 /nfs/dbraw/zinc/84/06/74/1124840674.db2.gz JLNMKUCCXIGBBI-DHZHZOJOSA-N 1 2 331.213 3.878 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3\COc4c(F)ccc(F)c4C3=O)n2c1 ZINC000181475635 1124877256 /nfs/dbraw/zinc/87/72/56/1124877256.db2.gz NEZRISBGPDCUJR-IZZDOVSWSA-N 1 2 326.302 3.580 20 30 EHEDLO CC(C)c1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000070851509 1125408196 /nfs/dbraw/zinc/40/81/96/1125408196.db2.gz MVTLRHLMSBRAMB-ZDUSSCGKSA-N 1 2 343.402 3.613 20 30 EHEDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1csc(C#N)c1 ZINC000922163015 1129270252 /nfs/dbraw/zinc/27/02/52/1129270252.db2.gz YCVNEZLHDDDHCO-UHFFFAOYSA-N 1 2 344.440 3.652 20 30 EHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000428213457 1129419446 /nfs/dbraw/zinc/41/94/46/1129419446.db2.gz SORQAXRJCOXNLT-UHFFFAOYSA-N 1 2 328.362 3.880 20 30 EHEDLO Cc1cccc(CC2(O)CC[NH+](Cc3cccc(F)c3C#N)CC2)c1 ZINC000428973715 1129656369 /nfs/dbraw/zinc/65/63/69/1129656369.db2.gz CYPXDFKDCWLQQT-UHFFFAOYSA-N 1 2 338.426 3.575 20 30 EHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000347779375 1129751276 /nfs/dbraw/zinc/75/12/76/1129751276.db2.gz NZXXAOOUKVGTGK-VIFPVBQESA-N 1 2 346.066 3.946 20 30 EHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000347779375 1129751279 /nfs/dbraw/zinc/75/12/79/1129751279.db2.gz NZXXAOOUKVGTGK-VIFPVBQESA-N 1 2 346.066 3.946 20 30 EHEDLO C=CCCCCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2C1CCCC1 ZINC001273089640 1129769419 /nfs/dbraw/zinc/76/94/19/1129769419.db2.gz WLKVEJSBLBKEOI-BGYRXZFFSA-N 1 2 348.531 3.757 20 30 EHEDLO C=CCCCCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2C1CCCC1 ZINC001273089640 1129769422 /nfs/dbraw/zinc/76/94/22/1129769422.db2.gz WLKVEJSBLBKEOI-BGYRXZFFSA-N 1 2 348.531 3.757 20 30 EHEDLO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000073986976 1129879618 /nfs/dbraw/zinc/87/96/18/1129879618.db2.gz ZHFRIUIYXJVSDI-INIZCTEOSA-N 1 2 325.437 3.704 20 30 EHEDLO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000073986976 1129879621 /nfs/dbraw/zinc/87/96/21/1129879621.db2.gz ZHFRIUIYXJVSDI-INIZCTEOSA-N 1 2 325.437 3.704 20 30 EHEDLO C[N@@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000245937498 1130332481 /nfs/dbraw/zinc/33/24/81/1130332481.db2.gz ZRYYNMCYQYWKAN-HZPDHXFCSA-N 1 2 348.784 3.742 20 30 EHEDLO C[N@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000245937498 1130332487 /nfs/dbraw/zinc/33/24/87/1130332487.db2.gz ZRYYNMCYQYWKAN-HZPDHXFCSA-N 1 2 348.784 3.742 20 30 EHEDLO N#CCCCOc1cccc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730148418 1130679152 /nfs/dbraw/zinc/67/91/52/1130679152.db2.gz UOBRPFQVCCELSA-UHFFFAOYSA-N 1 2 330.391 3.785 20 30 EHEDLO C=CC1CC[NH+](Cn2[nH]c(/C=C/c3ccccc3)nc2=S)CC1 ZINC000732181145 1130893152 /nfs/dbraw/zinc/89/31/52/1130893152.db2.gz LNYFUUFGPQZEHL-CMDGGOBGSA-N 1 2 326.469 3.967 20 30 EHEDLO C=CCN(CC1CCCCC1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000732701844 1130950363 /nfs/dbraw/zinc/95/03/63/1130950363.db2.gz PYBHROMGHJWJSM-UHFFFAOYSA-N 1 2 345.487 3.985 20 30 EHEDLO COC(=O)c1cc2ccccc2c(C[N@H+](CC#N)C2CCCC2)c1O ZINC000738256631 1131464604 /nfs/dbraw/zinc/46/46/04/1131464604.db2.gz PDBBXQYUOBTDEZ-UHFFFAOYSA-N 1 2 338.407 3.600 20 30 EHEDLO COC(=O)c1cc2ccccc2c(C[N@@H+](CC#N)C2CCCC2)c1O ZINC000738256631 1131464606 /nfs/dbraw/zinc/46/46/06/1131464606.db2.gz PDBBXQYUOBTDEZ-UHFFFAOYSA-N 1 2 338.407 3.600 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861771 1131550240 /nfs/dbraw/zinc/55/02/40/1131550240.db2.gz YOTQGDLPJHIALL-HOTGVXAUSA-N 1 2 342.512 3.879 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861771 1131550244 /nfs/dbraw/zinc/55/02/44/1131550244.db2.gz YOTQGDLPJHIALL-HOTGVXAUSA-N 1 2 342.512 3.879 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCCCCCC3)CC2)cc1 ZINC000741662587 1131632811 /nfs/dbraw/zinc/63/28/11/1131632811.db2.gz JFQJBDUILNGVEV-UHFFFAOYSA-N 1 2 339.483 3.563 20 30 EHEDLO CC(=O)Nc1cccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000737443222 1131633274 /nfs/dbraw/zinc/63/32/74/1131633274.db2.gz ISBKJDPALWULNX-VOTSOKGWSA-N 1 2 339.782 3.842 20 30 EHEDLO C[C@H](CCCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001172501493 1131760974 /nfs/dbraw/zinc/76/09/74/1131760974.db2.gz DIROAFXFVCFERY-OLZOCXBDSA-N 1 2 349.397 3.552 20 30 EHEDLO C[C@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001172501493 1131760976 /nfs/dbraw/zinc/76/09/76/1131760976.db2.gz DIROAFXFVCFERY-OLZOCXBDSA-N 1 2 349.397 3.552 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C2CC2)cc1 ZINC000743842489 1131980955 /nfs/dbraw/zinc/98/09/55/1131980955.db2.gz DZVNKZFINHBIAB-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C2CC2)cc1 ZINC000743842489 1131980963 /nfs/dbraw/zinc/98/09/63/1131980963.db2.gz DZVNKZFINHBIAB-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO C=CC[N@@H+](Cc1nc(N)nc(Nc2ccccc2CC)n1)C(C)(C)C ZINC001174643008 1132422574 /nfs/dbraw/zinc/42/25/74/1132422574.db2.gz YWEABQLPGFYSEA-UHFFFAOYSA-N 1 2 340.475 3.546 20 30 EHEDLO C=CC[N@H+](Cc1nc(N)nc(Nc2ccccc2CC)n1)C(C)(C)C ZINC001174643008 1132422578 /nfs/dbraw/zinc/42/25/78/1132422578.db2.gz YWEABQLPGFYSEA-UHFFFAOYSA-N 1 2 340.475 3.546 20 30 EHEDLO N#Cc1cc(Cl)cc(Cl)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977172 1132511555 /nfs/dbraw/zinc/51/15/55/1132511555.db2.gz OMCNAEVGOISHBT-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO C=CCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001168894707 1132590040 /nfs/dbraw/zinc/59/00/40/1132590040.db2.gz VGGNLNHOQLYSSQ-INIZCTEOSA-N 1 2 340.389 3.925 20 30 EHEDLO C=CCCCCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001168894707 1132590047 /nfs/dbraw/zinc/59/00/47/1132590047.db2.gz VGGNLNHOQLYSSQ-INIZCTEOSA-N 1 2 340.389 3.925 20 30 EHEDLO C#Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cn1 ZINC000767091933 1132948582 /nfs/dbraw/zinc/94/85/82/1132948582.db2.gz LXYUXYTUCZQYKI-UHFFFAOYSA-N 1 2 342.402 3.515 20 30 EHEDLO CC(C)N(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C(C)C ZINC001183829065 1133862218 /nfs/dbraw/zinc/86/22/18/1133862218.db2.gz GXPOKWLGFILSAC-IBGZPJMESA-N 1 2 327.472 3.558 20 30 EHEDLO CC(C)N(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)C(C)C ZINC001183829065 1133862227 /nfs/dbraw/zinc/86/22/27/1133862227.db2.gz GXPOKWLGFILSAC-IBGZPJMESA-N 1 2 327.472 3.558 20 30 EHEDLO CCC(=[NH+]Nc1ccc2c(cc[nH]c2=O)c1)c1ccc(N(C)C)cc1 ZINC000789077509 1134218139 /nfs/dbraw/zinc/21/81/39/1134218139.db2.gz VGQVOZSZLIRSKV-UHFFFAOYSA-N 1 2 334.423 3.820 20 30 EHEDLO N#Cc1cc(F)c(NC(=O)c2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC001190099376 1134656156 /nfs/dbraw/zinc/65/61/56/1134656156.db2.gz GXVVZRZGCBIFJV-UHFFFAOYSA-N 1 2 340.745 3.789 20 30 EHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC001197394472 1135683834 /nfs/dbraw/zinc/68/38/34/1135683834.db2.gz REZDAQDMOJIPDL-MRXNPFEDSA-N 1 2 346.390 3.561 20 30 EHEDLO N#CCOc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1 ZINC001212604994 1135842100 /nfs/dbraw/zinc/84/21/00/1135842100.db2.gz GGGPVRHUEJIIOY-UHFFFAOYSA-N 1 2 343.184 3.743 20 30 EHEDLO Cc1cn2cc(NC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)ccc2[nH+]1 ZINC001199767351 1135927224 /nfs/dbraw/zinc/92/72/24/1135927224.db2.gz DAHAOZLKRQDXQN-AWEZNQCLSA-N 1 2 333.395 3.739 20 30 EHEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1c[nH+]c2ccc(C)cn12 ZINC000747705776 1136076319 /nfs/dbraw/zinc/07/63/19/1136076319.db2.gz QPJXWMFQRXOQBD-SOFGYWHQSA-N 1 2 349.390 3.506 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(Br)nc3)n21 ZINC000811695672 1136125740 /nfs/dbraw/zinc/12/57/40/1136125740.db2.gz CARUXEVLOMGGHC-VOTSOKGWSA-N 1 2 342.196 3.696 20 30 EHEDLO C=CCOc1ccc(Br)cc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000850324775 1136235506 /nfs/dbraw/zinc/23/55/06/1136235506.db2.gz WAJATIBSZXEVIX-UHFFFAOYSA-N 1 2 336.233 3.966 20 30 EHEDLO C#Cc1cccnc1N1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000853094195 1136508362 /nfs/dbraw/zinc/50/83/62/1136508362.db2.gz SLUUBAVTBQKLFX-OAHLLOKOSA-N 1 2 348.475 3.556 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)C[C@@H](O)c1cccs1 ZINC000853456348 1136533806 /nfs/dbraw/zinc/53/38/06/1136533806.db2.gz PQFSPYKXYHPASD-HUUCEWRRSA-N 1 2 330.453 3.859 20 30 EHEDLO Cc1cccc(-n2ccn(C[N@@H+]3CCC[C@@H](CC#N)C3)c2=S)c1 ZINC000853526802 1136541118 /nfs/dbraw/zinc/54/11/18/1136541118.db2.gz ZGTMWZMRTYIFAY-INIZCTEOSA-N 1 2 326.469 3.900 20 30 EHEDLO Cc1cccc(-n2ccn(C[N@H+]3CCC[C@@H](CC#N)C3)c2=S)c1 ZINC000853526802 1136541121 /nfs/dbraw/zinc/54/11/21/1136541121.db2.gz ZGTMWZMRTYIFAY-INIZCTEOSA-N 1 2 326.469 3.900 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1c2ccc(C(=O)C(C)C)cc2oc1=O ZINC000853598863 1136547702 /nfs/dbraw/zinc/54/77/02/1136547702.db2.gz XOBYSKHTKMYLNW-IYBDPMFKSA-N 1 2 340.423 3.574 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1c2ccc(C(=O)C(C)C)cc2oc1=O ZINC000853598863 1136547704 /nfs/dbraw/zinc/54/77/04/1136547704.db2.gz XOBYSKHTKMYLNW-IYBDPMFKSA-N 1 2 340.423 3.574 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000776794763 1136671742 /nfs/dbraw/zinc/67/17/42/1136671742.db2.gz IEANQTDNZAVGDV-HXUWFJFHSA-N 1 2 334.419 3.575 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000776794763 1136671743 /nfs/dbraw/zinc/67/17/43/1136671743.db2.gz IEANQTDNZAVGDV-HXUWFJFHSA-N 1 2 334.419 3.575 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)c(F)cc1O ZINC000816609111 1136740939 /nfs/dbraw/zinc/74/09/39/1136740939.db2.gz SATRYAKKDUISPE-UHFFFAOYSA-N 1 2 339.794 3.848 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)c(F)cc1O ZINC000816609111 1136740942 /nfs/dbraw/zinc/74/09/42/1136740942.db2.gz SATRYAKKDUISPE-UHFFFAOYSA-N 1 2 339.794 3.848 20 30 EHEDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)nc1 ZINC000858041412 1136934340 /nfs/dbraw/zinc/93/43/40/1136934340.db2.gz UQFOYBOGOGCLHF-QGZVFWFLSA-N 1 2 327.815 3.568 20 30 EHEDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)nc1 ZINC000858041412 1136934341 /nfs/dbraw/zinc/93/43/41/1136934341.db2.gz UQFOYBOGOGCLHF-QGZVFWFLSA-N 1 2 327.815 3.568 20 30 EHEDLO Nc1ccc(/C=C2\CCc3nc(-c4ccccc4)sc3C2=O)c[nH+]1 ZINC000821039426 1137014900 /nfs/dbraw/zinc/01/49/00/1137014900.db2.gz REZRRJDBEBOECU-GXDHUFHOSA-N 1 2 333.416 4.000 20 30 EHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136864808 1137135011 /nfs/dbraw/zinc/13/50/11/1137135011.db2.gz HORPVQPAWJFFOB-CYBMUJFWSA-N 1 2 347.846 3.698 20 30 EHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136864808 1137135013 /nfs/dbraw/zinc/13/50/13/1137135013.db2.gz HORPVQPAWJFFOB-CYBMUJFWSA-N 1 2 347.846 3.698 20 30 EHEDLO Cc1cccc(O[C@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143731928 1137194750 /nfs/dbraw/zinc/19/47/50/1137194750.db2.gz IICOKOLRPSRLSB-HNNXBMFYSA-N 1 2 327.815 3.568 20 30 EHEDLO Cc1cccc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143731928 1137194751 /nfs/dbraw/zinc/19/47/51/1137194751.db2.gz IICOKOLRPSRLSB-HNNXBMFYSA-N 1 2 327.815 3.568 20 30 EHEDLO COc1cccc2cc(C(=O)/C=C\c3ncc(C[NH+](C)C)s3)oc21 ZINC000794699890 1137235849 /nfs/dbraw/zinc/23/58/49/1137235849.db2.gz ULSGWRGNPFQWKZ-FPLPWBNLSA-N 1 2 342.420 3.856 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001171178313 1137288208 /nfs/dbraw/zinc/28/82/08/1137288208.db2.gz FKWPUOYNDZGXEU-SECBINFHSA-N 1 2 342.258 3.912 20 30 EHEDLO C[C@H]1CCN(c2c(Br)cccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000865613566 1137298858 /nfs/dbraw/zinc/29/88/58/1137298858.db2.gz YBWJFHISVKSMEC-SWLSCSKDSA-N 1 2 345.244 3.605 20 30 EHEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)OCCO2 ZINC000866240478 1137338192 /nfs/dbraw/zinc/33/81/92/1137338192.db2.gz GPMVIELOUFGJMI-GUYCJALGSA-N 1 2 338.407 3.837 20 30 EHEDLO Cc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)N2CCCC2)o1 ZINC000866253377 1137339632 /nfs/dbraw/zinc/33/96/32/1137339632.db2.gz XYVSNCKTIKMLMT-CRAIPNDOSA-N 1 2 339.439 3.653 20 30 EHEDLO C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cccc(C#N)c1O ZINC000866276001 1137341840 /nfs/dbraw/zinc/34/18/40/1137341840.db2.gz SRSPIVNGOGCRKD-SECBINFHSA-N 1 2 341.358 3.632 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001171220938 1137346664 /nfs/dbraw/zinc/34/66/64/1137346664.db2.gz FXEGXXPXBXHGKC-ZDUSSCGKSA-N 1 2 328.362 3.531 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000847028347 1137383455 /nfs/dbraw/zinc/38/34/55/1137383455.db2.gz FMNDVOPJMXYSGD-VXGBXAGGSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000847028347 1137383457 /nfs/dbraw/zinc/38/34/57/1137383457.db2.gz FMNDVOPJMXYSGD-VXGBXAGGSA-N 1 2 325.239 3.666 20 30 EHEDLO COc1cc(C(N)=[NH+]OC/C=C\c2ccccc2)ccc1OC(F)F ZINC000207287071 1137404209 /nfs/dbraw/zinc/40/42/09/1137404209.db2.gz OFYJEIBTKDUVPL-YVMONPNESA-N 1 2 348.349 3.647 20 30 EHEDLO C#CCOc1ccc(CNc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000122655758 1137457678 /nfs/dbraw/zinc/45/76/78/1137457678.db2.gz OILLSRCQQSPREV-UHFFFAOYSA-N 1 2 347.418 3.586 20 30 EHEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171475290 1137493253 /nfs/dbraw/zinc/49/32/53/1137493253.db2.gz BZHRZIFWWZLMPL-KRWDZBQOSA-N 1 2 327.378 3.633 20 30 EHEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171475290 1137493255 /nfs/dbraw/zinc/49/32/55/1137493255.db2.gz BZHRZIFWWZLMPL-KRWDZBQOSA-N 1 2 327.378 3.633 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC001171510880 1137495381 /nfs/dbraw/zinc/49/53/81/1137495381.db2.gz MMWXMLYGBSCWRP-CQSZACIVSA-N 1 2 327.378 3.720 20 30 EHEDLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CC1(CC#N)CC1 ZINC001171853704 1137516068 /nfs/dbraw/zinc/51/60/68/1137516068.db2.gz HUONWDRZCXJVHB-XJKSGUPXSA-N 1 2 349.272 3.905 20 30 EHEDLO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CC1(CC#N)CC1 ZINC001171853704 1137516069 /nfs/dbraw/zinc/51/60/69/1137516069.db2.gz HUONWDRZCXJVHB-XJKSGUPXSA-N 1 2 349.272 3.905 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCOc3c(Cl)cccc32)c1 ZINC000876964952 1137666354 /nfs/dbraw/zinc/66/63/54/1137666354.db2.gz WFANLOLKTIJPQM-AWEZNQCLSA-N 1 2 334.206 3.873 20 30 EHEDLO N#Cc1cnc(Cl)c(CNc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000877161429 1137671871 /nfs/dbraw/zinc/67/18/71/1137671871.db2.gz LCFZADFXCWKPPN-UHFFFAOYSA-N 1 2 327.819 3.604 20 30 EHEDLO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)CCO2 ZINC000877416714 1137675908 /nfs/dbraw/zinc/67/59/08/1137675908.db2.gz KUSZMFFQCFZTHT-INIZCTEOSA-N 1 2 343.814 3.619 20 30 EHEDLO CC(C)(C)OC(=O)NCC1(C[N@@H+]2Cc3cccc(C#N)c3C2)CCC1 ZINC000877616649 1137683184 /nfs/dbraw/zinc/68/31/84/1137683184.db2.gz MCZXFHPDSJTLLZ-UHFFFAOYSA-N 1 2 341.455 3.569 20 30 EHEDLO CC(C)(C)OC(=O)NCC1(C[N@H+]2Cc3cccc(C#N)c3C2)CCC1 ZINC000877616649 1137683185 /nfs/dbraw/zinc/68/31/85/1137683185.db2.gz MCZXFHPDSJTLLZ-UHFFFAOYSA-N 1 2 341.455 3.569 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878728390 1137726582 /nfs/dbraw/zinc/72/65/82/1137726582.db2.gz NCPVSOCZCQPEAQ-ZDUSSCGKSA-N 1 2 337.452 3.608 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878728390 1137726583 /nfs/dbraw/zinc/72/65/83/1137726583.db2.gz NCPVSOCZCQPEAQ-ZDUSSCGKSA-N 1 2 337.452 3.608 20 30 EHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000878962788 1137733750 /nfs/dbraw/zinc/73/37/50/1137733750.db2.gz XZKGTCJSKBVIIW-UHFFFAOYSA-N 1 2 344.821 3.822 20 30 EHEDLO C#CCC1(O)CC[NH+](Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000880478073 1137779836 /nfs/dbraw/zinc/77/98/36/1137779836.db2.gz RXTARDKTOVJOPD-UHFFFAOYSA-N 1 2 341.480 3.545 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000127730841 1138368839 /nfs/dbraw/zinc/36/88/39/1138368839.db2.gz DNEWMRRVGGJRKM-OAHLLOKOSA-N 1 2 341.480 3.991 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000127730841 1138368841 /nfs/dbraw/zinc/36/88/41/1138368841.db2.gz DNEWMRRVGGJRKM-OAHLLOKOSA-N 1 2 341.480 3.991 20 30 EHEDLO C=CCC[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000130996753 1138489209 /nfs/dbraw/zinc/48/92/09/1138489209.db2.gz OOBFCCKZGSROTP-IBGZPJMESA-N 1 2 338.455 3.937 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000337934962 1138701289 /nfs/dbraw/zinc/70/12/89/1138701289.db2.gz RXHUXMOGSONOJJ-UHFFFAOYSA-N 1 2 336.782 3.958 20 30 EHEDLO Cc1cc(Cl)c2ncc(C#N)c(NCCNc3cccc[nH+]3)c2c1 ZINC000338398723 1138889761 /nfs/dbraw/zinc/88/97/61/1138889761.db2.gz KWCNUWMPXKLXQW-UHFFFAOYSA-N 1 2 337.814 3.987 20 30 EHEDLO C=CC[C@@H]1CCCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890243448 1139329315 /nfs/dbraw/zinc/32/93/15/1139329315.db2.gz MEXQALGDMLVQAK-MJGOQNOKSA-N 1 2 338.455 3.622 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(Cc2ccccc2)no1)c1ccc(C#N)cc1 ZINC000173904182 1139386205 /nfs/dbraw/zinc/38/62/05/1139386205.db2.gz FXACRIDBMNFCOB-CABCVRRESA-N 1 2 332.407 3.944 20 30 EHEDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175142507 1139466642 /nfs/dbraw/zinc/46/66/42/1139466642.db2.gz SEJLZBFXMCFKRJ-GOSISDBHSA-N 1 2 347.422 3.674 20 30 EHEDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175142507 1139466646 /nfs/dbraw/zinc/46/66/46/1139466646.db2.gz SEJLZBFXMCFKRJ-GOSISDBHSA-N 1 2 347.422 3.674 20 30 EHEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1cccc(C)c1 ZINC000180431300 1139833954 /nfs/dbraw/zinc/83/39/54/1139833954.db2.gz GDGRCRVIVBRNHL-UHFFFAOYSA-N 1 2 339.468 3.818 20 30 EHEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184894244 1140124669 /nfs/dbraw/zinc/12/46/69/1140124669.db2.gz WHDDLXVCBCAXTC-CVEARBPZSA-N 1 2 339.439 3.581 20 30 EHEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186818655 1140222831 /nfs/dbraw/zinc/22/28/31/1140222831.db2.gz UIPWPLZMHWRYCM-OAHLLOKOSA-N 1 2 342.439 3.853 20 30 EHEDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187030876 1014803507 /nfs/dbraw/zinc/80/35/07/1014803507.db2.gz QTUFRTNWEHMVCC-CQSZACIVSA-N 1 2 347.890 3.586 20 30 EHEDLO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187030876 1014803519 /nfs/dbraw/zinc/80/35/19/1014803519.db2.gz QTUFRTNWEHMVCC-CQSZACIVSA-N 1 2 347.890 3.586 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc2c1OCOC2 ZINC000063300451 1015562166 /nfs/dbraw/zinc/56/21/66/1015562166.db2.gz YGGVNMJQEHPBDI-UHFFFAOYSA-N 1 2 338.382 3.752 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc2c1OCOC2 ZINC000063300451 1015562173 /nfs/dbraw/zinc/56/21/73/1015562173.db2.gz YGGVNMJQEHPBDI-UHFFFAOYSA-N 1 2 338.382 3.752 20 30 EHEDLO O=C1c2cccc(Br)c2C/C1=C\c1c[nH+]c2ccccn12 ZINC000255017369 1015703402 /nfs/dbraw/zinc/70/34/02/1015703402.db2.gz FTIKRQQZPONJKU-DHZHZOJOSA-N 1 2 339.192 3.919 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cnn(Cc4ccccc4)c3)n2c1 ZINC000255041598 1015972041 /nfs/dbraw/zinc/97/20/41/1015972041.db2.gz WOUIDKZMPDAAHD-HJWRWDBZSA-N 1 2 342.402 3.784 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H](c3ccccn3)C3CCC3)o2)cc1 ZINC000528661660 1032546562 /nfs/dbraw/zinc/54/65/62/1032546562.db2.gz VWUHFEJBRQSMIQ-IBGZPJMESA-N 1 2 345.406 3.634 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000601996182 1032587441 /nfs/dbraw/zinc/58/74/41/1032587441.db2.gz HWRTYBKVBCNSME-UHFFFAOYSA-N 1 2 337.398 3.726 20 30 EHEDLO C=CC[C@@H]1N(C(=O)Cc2cn3cccc(C)c3[nH+]2)CCCC1(C)C ZINC000683457654 1017227149 /nfs/dbraw/zinc/22/71/49/1017227149.db2.gz FDMJNKCXYASQGU-KRWDZBQOSA-N 1 2 325.456 3.779 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(I)cc1Cl ZINC000310042524 1017383846 /nfs/dbraw/zinc/38/38/46/1017383846.db2.gz ZMCRSYGNRDKPLY-NSHDSACASA-N 1 2 348.615 3.726 20 30 EHEDLO C[C@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC000610346309 1018355442 /nfs/dbraw/zinc/35/54/42/1018355442.db2.gz SPOMIJVVQMFJDL-LBPRGKRZSA-N 1 2 344.374 3.804 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000580210343 1018792561 /nfs/dbraw/zinc/79/25/61/1018792561.db2.gz RUNVGBGFNVTKFZ-UHFFFAOYSA-N 1 2 332.407 3.567 20 30 EHEDLO C[C@H]1CN(Cc2ccccc2)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000449557214 1032801843 /nfs/dbraw/zinc/80/18/43/1032801843.db2.gz UZWRLYIKFXDXEL-INIZCTEOSA-N 1 2 325.481 3.574 20 30 EHEDLO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000449557214 1032801859 /nfs/dbraw/zinc/80/18/59/1032801859.db2.gz UZWRLYIKFXDXEL-INIZCTEOSA-N 1 2 325.481 3.574 20 30 EHEDLO CC#Cc1cncc(Nc2ccc3[nH+]cc(Br)n3c2)c1 ZINC001211056621 1019324797 /nfs/dbraw/zinc/32/47/97/1019324797.db2.gz SQULVTOCOCZJDA-UHFFFAOYSA-N 1 2 327.185 3.607 20 30 EHEDLO N#Cc1cnccc1C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594039332 1032858630 /nfs/dbraw/zinc/85/86/30/1032858630.db2.gz XEHYVZRWOIJWAF-UHFFFAOYSA-N 1 2 333.313 3.631 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cnc(C)nc1C ZINC000602454704 1032885221 /nfs/dbraw/zinc/88/52/21/1032885221.db2.gz RTKLNHVUVBGLIZ-AWEZNQCLSA-N 1 2 326.400 3.751 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cnc(C)nc1C ZINC000602454704 1032885235 /nfs/dbraw/zinc/88/52/35/1032885235.db2.gz RTKLNHVUVBGLIZ-AWEZNQCLSA-N 1 2 326.400 3.751 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000518678501 1021429377 /nfs/dbraw/zinc/42/93/77/1021429377.db2.gz YINTXEOAPKRBDA-IBGZPJMESA-N 1 2 344.455 3.745 20 30 EHEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425674921 1021468839 /nfs/dbraw/zinc/46/88/39/1021468839.db2.gz POPBMPYCKINZDS-YOEHRIQHSA-N 1 2 349.438 3.700 20 30 EHEDLO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000729475476 1021478828 /nfs/dbraw/zinc/47/88/28/1021478828.db2.gz VQHZCBKAFYCDDQ-DYVFJYSZSA-N 1 2 341.480 3.983 20 30 EHEDLO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000729475476 1021478830 /nfs/dbraw/zinc/47/88/30/1021478830.db2.gz VQHZCBKAFYCDDQ-DYVFJYSZSA-N 1 2 341.480 3.983 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccnn1CCC)c1ccc(Br)cc1 ZINC000894870066 1021538915 /nfs/dbraw/zinc/53/89/15/1021538915.db2.gz HWBQDULZBJXKQA-MRXNPFEDSA-N 1 2 332.245 3.520 20 30 EHEDLO CC[NH+](CC)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccsc1 ZINC000255367623 1021570813 /nfs/dbraw/zinc/57/08/13/1021570813.db2.gz LOHCYDAPTCUBMX-LTKMBJGESA-N 1 2 347.440 3.864 20 30 EHEDLO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1CC1(C#N)CC1 ZINC000581749735 1021677799 /nfs/dbraw/zinc/67/77/99/1021677799.db2.gz FDJJHYGUEFMYLF-ZIAGYGMSSA-N 1 2 337.389 3.908 20 30 EHEDLO C#CC[N@H+](Cc1nnc(-c2ccco2)o1)[C@H]1CCCc2ccccc21 ZINC000933422106 1021711089 /nfs/dbraw/zinc/71/10/89/1021711089.db2.gz RCAVIKPYMSPWRK-KRWDZBQOSA-N 1 2 333.391 3.842 20 30 EHEDLO C#CC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H]1CCCc2ccccc21 ZINC000933422106 1021711100 /nfs/dbraw/zinc/71/11/00/1021711100.db2.gz RCAVIKPYMSPWRK-KRWDZBQOSA-N 1 2 333.391 3.842 20 30 EHEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC(F)F)on1 ZINC000437410284 1021803842 /nfs/dbraw/zinc/80/38/42/1021803842.db2.gz YQGORCXHNIZTLH-CQSZACIVSA-N 1 2 333.338 3.793 20 30 EHEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC(F)F)on1 ZINC000437410284 1021803861 /nfs/dbraw/zinc/80/38/61/1021803861.db2.gz YQGORCXHNIZTLH-CQSZACIVSA-N 1 2 333.338 3.793 20 30 EHEDLO C=C(C)[C@H]([NH2+]Cc1cc(C(=O)OCC)no1)c1ccc(F)c(F)c1 ZINC000602615792 1033011131 /nfs/dbraw/zinc/01/11/31/1033011131.db2.gz KCDCPELVXSZDIJ-INIZCTEOSA-N 1 2 336.338 3.537 20 30 EHEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1C#N ZINC000506773915 1021987717 /nfs/dbraw/zinc/98/77/17/1021987717.db2.gz FXWWSRDTMDWDMF-UHFFFAOYSA-N 1 2 339.414 3.937 20 30 EHEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1C#N ZINC000506773915 1021987723 /nfs/dbraw/zinc/98/77/23/1021987723.db2.gz FXWWSRDTMDWDMF-UHFFFAOYSA-N 1 2 339.414 3.937 20 30 EHEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000440394879 1022165064 /nfs/dbraw/zinc/16/50/64/1022165064.db2.gz AGNROJUADISLFB-HXUWFJFHSA-N 1 2 333.410 3.901 20 30 EHEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000440394879 1022165066 /nfs/dbraw/zinc/16/50/66/1022165066.db2.gz AGNROJUADISLFB-HXUWFJFHSA-N 1 2 333.410 3.901 20 30 EHEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328869605 1022524113 /nfs/dbraw/zinc/52/41/13/1022524113.db2.gz HRTWZSHMOOTVOL-YLFCFFPRSA-N 1 2 330.476 3.862 20 30 EHEDLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)c(C)[nH+]1 ZINC000331294771 1022791885 /nfs/dbraw/zinc/79/18/85/1022791885.db2.gz CHCOYOCCKGKMLS-LBPRGKRZSA-N 1 2 331.420 3.774 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cnc([C@@H]2CCCO2)s1 ZINC000342016261 1023759679 /nfs/dbraw/zinc/75/96/79/1023759679.db2.gz IKQSZQIHRVSBFK-HNNXBMFYSA-N 1 2 344.440 3.684 20 30 EHEDLO N#CC1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443512572 1024061046 /nfs/dbraw/zinc/06/10/46/1024061046.db2.gz VDMBYBAQNQLHEJ-UHFFFAOYSA-N 1 2 334.192 3.876 20 30 EHEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000780498842 1024141909 /nfs/dbraw/zinc/14/19/09/1024141909.db2.gz NVIMEJIVPCCKNH-MRXNPFEDSA-N 1 2 348.437 3.629 20 30 EHEDLO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000780498842 1024141918 /nfs/dbraw/zinc/14/19/18/1024141918.db2.gz NVIMEJIVPCCKNH-MRXNPFEDSA-N 1 2 348.437 3.629 20 30 EHEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000780498830 1024146636 /nfs/dbraw/zinc/14/66/36/1024146636.db2.gz NVIMEJIVPCCKNH-INIZCTEOSA-N 1 2 348.437 3.629 20 30 EHEDLO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000780498830 1024146645 /nfs/dbraw/zinc/14/66/45/1024146645.db2.gz NVIMEJIVPCCKNH-INIZCTEOSA-N 1 2 348.437 3.629 20 30 EHEDLO C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000574702465 1024184902 /nfs/dbraw/zinc/18/49/02/1024184902.db2.gz KCIJSVSEXLEDHI-QAPCUYQASA-N 1 2 349.482 3.851 20 30 EHEDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N=c1[nH]cc(-c2ccccc2)s1 ZINC000329824412 1024214079 /nfs/dbraw/zinc/21/40/79/1024214079.db2.gz ZYGMZRZHYGKYEH-IUODEOHRSA-N 1 2 342.468 3.619 20 30 EHEDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N=c1[nH]cc(-c2ccccc2)s1 ZINC000329824412 1024214087 /nfs/dbraw/zinc/21/40/87/1024214087.db2.gz ZYGMZRZHYGKYEH-IUODEOHRSA-N 1 2 342.468 3.619 20 30 EHEDLO O=C(N[C@@H]1CCCCC12CCCC2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329838448 1024217908 /nfs/dbraw/zinc/21/79/08/1024217908.db2.gz VQRIZQYEVVKEOZ-IAGOWNOFSA-N 1 2 330.476 3.765 20 30 EHEDLO Cc1cn2cc(NC(=O)N3CCOC4(C3)CCCCCC4)ccc2[nH+]1 ZINC000330049840 1024301760 /nfs/dbraw/zinc/30/17/60/1024301760.db2.gz JWPJELSXMZBZFU-UHFFFAOYSA-N 1 2 342.443 3.613 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000071959063 1024967308 /nfs/dbraw/zinc/96/73/08/1024967308.db2.gz YDLLHMNTVGFVFT-SFHVURJKSA-N 1 2 339.826 3.987 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC000071959063 1024967318 /nfs/dbraw/zinc/96/73/18/1024967318.db2.gz YDLLHMNTVGFVFT-SFHVURJKSA-N 1 2 339.826 3.987 20 30 EHEDLO C=CCc1cc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc(OC)c1O ZINC000897944403 1033253552 /nfs/dbraw/zinc/25/35/52/1033253552.db2.gz FKGZIFFUCTYSMT-UHFFFAOYSA-N 1 2 330.428 3.705 20 30 EHEDLO Cc1cccn2cc(CCNc3cc(C#N)c4ccccc4n3)[nH+]c12 ZINC000080675965 1025053109 /nfs/dbraw/zinc/05/31/09/1025053109.db2.gz DFVFXFCUMKBZTA-UHFFFAOYSA-N 1 2 327.391 3.717 20 30 EHEDLO C=CCCCN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442227205 1025210870 /nfs/dbraw/zinc/21/08/70/1025210870.db2.gz DMEAPCUZAWXSLJ-IBGZPJMESA-N 1 2 340.471 3.849 20 30 EHEDLO C=C(C)CN(CC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442246272 1025224609 /nfs/dbraw/zinc/22/46/09/1025224609.db2.gz ZTEHAYACNXIODC-IBGZPJMESA-N 1 2 340.471 3.849 20 30 EHEDLO CCc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046527487 1033273805 /nfs/dbraw/zinc/27/38/05/1033273805.db2.gz OIXLOFVLTDUMFD-UHFFFAOYSA-N 1 2 332.407 3.803 20 30 EHEDLO CCc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046527487 1033273816 /nfs/dbraw/zinc/27/38/16/1033273816.db2.gz OIXLOFVLTDUMFD-UHFFFAOYSA-N 1 2 332.407 3.803 20 30 EHEDLO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(C#N)cc1 ZINC000046526386 1033274493 /nfs/dbraw/zinc/27/44/93/1033274493.db2.gz BVYCRRZGXLSUFX-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccc(C#N)cc1 ZINC000046526386 1033274503 /nfs/dbraw/zinc/27/45/03/1033274503.db2.gz BVYCRRZGXLSUFX-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C#Cc1cccc(N(CC)C(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000728479113 1025458551 /nfs/dbraw/zinc/45/85/51/1025458551.db2.gz IXYKUGVALAVUNS-UHFFFAOYSA-N 1 2 329.403 3.579 20 30 EHEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC000442804193 1025497403 /nfs/dbraw/zinc/49/74/03/1025497403.db2.gz VRCMAFYIVROBAF-LJQANCHMSA-N 1 2 342.826 3.794 20 30 EHEDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC000442804193 1025497417 /nfs/dbraw/zinc/49/74/17/1025497417.db2.gz VRCMAFYIVROBAF-LJQANCHMSA-N 1 2 342.826 3.794 20 30 EHEDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329205620 1025663270 /nfs/dbraw/zinc/66/32/70/1025663270.db2.gz DLKAFFUZMRZIEI-IUODEOHRSA-N 1 2 342.468 3.698 20 30 EHEDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329205620 1025663275 /nfs/dbraw/zinc/66/32/75/1025663275.db2.gz DLKAFFUZMRZIEI-IUODEOHRSA-N 1 2 342.468 3.698 20 30 EHEDLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(C#N)c(OC)c3)CCO2)cc1 ZINC000443069558 1025689213 /nfs/dbraw/zinc/68/92/13/1025689213.db2.gz PHGPRZYAWGOWAV-OAQYLSRUSA-N 1 2 336.435 3.703 20 30 EHEDLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(C#N)c(OC)c3)CCO2)cc1 ZINC000443069558 1025689217 /nfs/dbraw/zinc/68/92/17/1025689217.db2.gz PHGPRZYAWGOWAV-OAQYLSRUSA-N 1 2 336.435 3.703 20 30 EHEDLO C[NH+](C)Cc1cccc(C(O)=C(C#N)c2nc3ccccc3s2)c1 ZINC000436694613 1026052589 /nfs/dbraw/zinc/05/25/89/1026052589.db2.gz BGJXKHBZBPFDLV-OAHLLOKOSA-N 1 2 335.432 3.848 20 30 EHEDLO C=CCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1Cl ZINC000505868767 1026072487 /nfs/dbraw/zinc/07/24/87/1026072487.db2.gz QQMKBAOWCPBKTA-UHFFFAOYSA-N 1 2 343.858 3.622 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)c(NCCc2cn3ccccc3[nH+]2)c1 ZINC000127645036 1026220504 /nfs/dbraw/zinc/22/05/04/1026220504.db2.gz YNCKGQGHZWPYBE-UHFFFAOYSA-N 1 2 330.313 3.879 20 30 EHEDLO C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000562057262 1026374534 /nfs/dbraw/zinc/37/45/34/1026374534.db2.gz OQZYAAULMTUXOD-DJJJIMSYSA-N 1 2 329.394 3.790 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754375 1027006591 /nfs/dbraw/zinc/00/65/91/1027006591.db2.gz CATDKGQGLADULT-XQQFMLRXSA-N 1 2 331.485 3.698 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754375 1027006599 /nfs/dbraw/zinc/00/65/99/1027006599.db2.gz CATDKGQGLADULT-XQQFMLRXSA-N 1 2 331.485 3.698 20 30 EHEDLO C[C@H]1CCN(c2ccc(Br)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000272779964 1027110748 /nfs/dbraw/zinc/11/07/48/1027110748.db2.gz AACIPZKMBMEEAG-BLLLJJGKSA-N 1 2 345.244 3.605 20 30 EHEDLO CCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)cc(Br)c1O ZINC000459321705 1027581186 /nfs/dbraw/zinc/58/11/86/1027581186.db2.gz HDHISHUGCRXGEW-NSHDSACASA-N 1 2 341.249 3.535 20 30 EHEDLO CCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)cc(Br)c1O ZINC000459321705 1027581201 /nfs/dbraw/zinc/58/12/01/1027581201.db2.gz HDHISHUGCRXGEW-NSHDSACASA-N 1 2 341.249 3.535 20 30 EHEDLO CC[N@H+](Cc1nncn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000277882167 1027598014 /nfs/dbraw/zinc/59/80/14/1027598014.db2.gz ZHUKTFXGKLAMME-MRXNPFEDSA-N 1 2 331.423 3.722 20 30 EHEDLO CC[N@@H+](Cc1nncn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000277882167 1027598023 /nfs/dbraw/zinc/59/80/23/1027598023.db2.gz ZHUKTFXGKLAMME-MRXNPFEDSA-N 1 2 331.423 3.722 20 30 EHEDLO Cc1nn(Cc2ccccc2)c(C)c1CNc1cc(CC#N)cc[nH+]1 ZINC000545927834 1027731836 /nfs/dbraw/zinc/73/18/36/1027731836.db2.gz WMQXALUYSNEKMM-UHFFFAOYSA-N 1 2 331.423 3.621 20 30 EHEDLO Cc1cc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC000420843239 1027785004 /nfs/dbraw/zinc/78/50/04/1027785004.db2.gz FAXMWUDGLMTWCM-UHFFFAOYSA-N 1 2 346.434 3.569 20 30 EHEDLO C=C(C)CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455330513 1028014765 /nfs/dbraw/zinc/01/47/65/1028014765.db2.gz VCTSVMONBRTDNE-SFHVURJKSA-N 1 2 326.444 3.507 20 30 EHEDLO C=CC[C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000664333154 1028080973 /nfs/dbraw/zinc/08/09/73/1028080973.db2.gz LMKZPBABVKEGRU-HNNXBMFYSA-N 1 2 348.516 3.949 20 30 EHEDLO C=C[C@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000153600091 1028289914 /nfs/dbraw/zinc/28/99/14/1028289914.db2.gz MYCSLWIXNCHVRX-QGZVFWFLSA-N 1 2 335.451 3.527 20 30 EHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000502517730 1028308567 /nfs/dbraw/zinc/30/85/67/1028308567.db2.gz SOZZMLMMQKLOPL-UHFFFAOYSA-N 1 2 337.354 3.895 20 30 EHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000502517730 1028308584 /nfs/dbraw/zinc/30/85/84/1028308584.db2.gz SOZZMLMMQKLOPL-UHFFFAOYSA-N 1 2 337.354 3.895 20 30 EHEDLO CC#CCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000078924128 1028315490 /nfs/dbraw/zinc/31/54/90/1028315490.db2.gz OWJZAASYNZXXQC-LBPRGKRZSA-N 1 2 334.876 3.659 20 30 EHEDLO CC(C)c1nc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)no1 ZINC000428412041 1028985365 /nfs/dbraw/zinc/98/53/65/1028985365.db2.gz GWOCIVRYQXETHH-UHFFFAOYSA-N 1 2 328.391 3.583 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454903478 1029454212 /nfs/dbraw/zinc/45/42/12/1029454212.db2.gz DODYBMMZPXURHR-CYBMUJFWSA-N 1 2 332.835 3.680 20 30 EHEDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000026323504 1029639598 /nfs/dbraw/zinc/63/95/98/1029639598.db2.gz NQPLLUHWBDMOES-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000026323504 1029639603 /nfs/dbraw/zinc/63/96/03/1029639603.db2.gz NQPLLUHWBDMOES-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1cccs1)c1cccc(C#N)c1O ZINC000925300806 1029969036 /nfs/dbraw/zinc/96/90/36/1029969036.db2.gz XXDNEOIUXSMEEE-VBNZEHGJSA-N 1 2 330.453 3.878 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000453304733 1030071459 /nfs/dbraw/zinc/07/14/59/1030071459.db2.gz HPJPNTKXCMBNHA-INIZCTEOSA-N 1 2 346.356 3.924 20 30 EHEDLO CC[N@@H+](Cc1ccc(OC)cc1OCc1cccnc1)C[C@@H](C)C#N ZINC000447741869 1030460951 /nfs/dbraw/zinc/46/09/51/1030460951.db2.gz AWXWCZAHVWNPBK-INIZCTEOSA-N 1 2 339.439 3.651 20 30 EHEDLO CC[N@H+](Cc1ccc(OC)cc1OCc1cccnc1)C[C@@H](C)C#N ZINC000447741869 1030460960 /nfs/dbraw/zinc/46/09/60/1030460960.db2.gz AWXWCZAHVWNPBK-INIZCTEOSA-N 1 2 339.439 3.651 20 30 EHEDLO C=C(C)C(=O)NCCCNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC001167671235 1030581477 /nfs/dbraw/zinc/58/14/77/1030581477.db2.gz WXLIACHPAUHTEX-UHFFFAOYSA-N 1 2 334.423 3.724 20 30 EHEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc(OC)c1O ZINC000093768308 1030667933 /nfs/dbraw/zinc/66/79/33/1030667933.db2.gz VLSMWCBRCYVANG-GOSISDBHSA-N 1 2 345.464 3.764 20 30 EHEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc(OC)c1O ZINC000093768308 1030667948 /nfs/dbraw/zinc/66/79/48/1030667948.db2.gz VLSMWCBRCYVANG-GOSISDBHSA-N 1 2 345.464 3.764 20 30 EHEDLO N#CCCCCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000594353690 1033312007 /nfs/dbraw/zinc/31/20/07/1033312007.db2.gz BAMPCOCKYQGPPE-UHFFFAOYSA-N 1 2 344.846 3.649 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)ccn12 ZINC000594367194 1033325664 /nfs/dbraw/zinc/32/56/64/1033325664.db2.gz YBLGWVZSVFVWJQ-UHFFFAOYSA-N 1 2 348.406 3.944 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cscc3C#N)n2)CC1 ZINC000598649691 1033365627 /nfs/dbraw/zinc/36/56/27/1033365627.db2.gz YKGTXYJBZLJBGK-UHFFFAOYSA-N 1 2 346.481 3.560 20 30 EHEDLO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)C1 ZINC000594615767 1033480751 /nfs/dbraw/zinc/48/07/51/1033480751.db2.gz QEVNBXMUPZMVLM-NXHRZFHOSA-N 1 2 330.472 3.669 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCCC1 ZINC000594994793 1033624044 /nfs/dbraw/zinc/62/40/44/1033624044.db2.gz LTOHUOAGVJRBNE-UHFFFAOYSA-N 1 2 339.342 3.760 20 30 EHEDLO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000657977067 1033786222 /nfs/dbraw/zinc/78/62/22/1033786222.db2.gz XBGGUXUBSXDFER-DOTOQJQBSA-N 1 2 326.444 3.608 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000595441046 1033802351 /nfs/dbraw/zinc/80/23/51/1033802351.db2.gz UEWCIPNEASLBAF-LJQANCHMSA-N 1 2 344.817 3.967 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000595441046 1033802365 /nfs/dbraw/zinc/80/23/65/1033802365.db2.gz UEWCIPNEASLBAF-LJQANCHMSA-N 1 2 344.817 3.967 20 30 EHEDLO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1Cl ZINC000603630166 1033814042 /nfs/dbraw/zinc/81/40/42/1033814042.db2.gz YZTZEKJFDAKTCN-UHFFFAOYSA-N 1 2 347.890 3.847 20 30 EHEDLO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1Cl ZINC000603630166 1033814054 /nfs/dbraw/zinc/81/40/54/1033814054.db2.gz YZTZEKJFDAKTCN-UHFFFAOYSA-N 1 2 347.890 3.847 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1Cl ZINC000599272972 1033853478 /nfs/dbraw/zinc/85/34/78/1033853478.db2.gz XLYICYRYXQJWAW-UHFFFAOYSA-N 1 2 330.815 3.566 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1Cl ZINC000599272972 1033853487 /nfs/dbraw/zinc/85/34/87/1033853487.db2.gz XLYICYRYXQJWAW-UHFFFAOYSA-N 1 2 330.815 3.566 20 30 EHEDLO N#CCC[C@H]([NH2+]Cc1ccncc1Br)c1ccccc1 ZINC000599353918 1033885977 /nfs/dbraw/zinc/88/59/77/1033885977.db2.gz MJTIFSVLLPWKMR-INIZCTEOSA-N 1 2 330.229 3.979 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595623439 1033905767 /nfs/dbraw/zinc/90/57/67/1033905767.db2.gz PJLUICIAMVHKRG-LLVKDONJSA-N 1 2 327.306 3.739 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595623439 1033905781 /nfs/dbraw/zinc/90/57/81/1033905781.db2.gz PJLUICIAMVHKRG-LLVKDONJSA-N 1 2 327.306 3.739 20 30 EHEDLO COC(=O)c1sc2cccc(F)c2c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595608913 1033920450 /nfs/dbraw/zinc/92/04/50/1033920450.db2.gz BRZZNNBMNBIVTD-GFCCVEGCSA-N 1 2 346.427 3.953 20 30 EHEDLO COC(=O)c1sc2cccc(F)c2c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595608913 1033920460 /nfs/dbraw/zinc/92/04/60/1033920460.db2.gz BRZZNNBMNBIVTD-GFCCVEGCSA-N 1 2 346.427 3.953 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595615781 1033927009 /nfs/dbraw/zinc/92/70/09/1033927009.db2.gz SXNMRTUSHYXEKL-LAJNKCICSA-N 1 2 345.295 3.727 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595615781 1033927025 /nfs/dbraw/zinc/92/70/25/1033927025.db2.gz SXNMRTUSHYXEKL-LAJNKCICSA-N 1 2 345.295 3.727 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000595659413 1033939163 /nfs/dbraw/zinc/93/91/63/1033939163.db2.gz LUCCFWYJCYBPOB-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000595844374 1034005200 /nfs/dbraw/zinc/00/52/00/1034005200.db2.gz SEGFTVMOYQGBQZ-SFHVURJKSA-N 1 2 326.831 3.841 20 30 EHEDLO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000595844374 1034005217 /nfs/dbraw/zinc/00/52/17/1034005217.db2.gz SEGFTVMOYQGBQZ-SFHVURJKSA-N 1 2 326.831 3.841 20 30 EHEDLO N#Cc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c([N+](=O)[O-])c1 ZINC000599694618 1034099563 /nfs/dbraw/zinc/09/95/63/1034099563.db2.gz BOTUDKVKALIQKZ-UHFFFAOYSA-N 1 2 343.333 3.914 20 30 EHEDLO C[C@@]1(C#N)CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000612159533 1034309265 /nfs/dbraw/zinc/30/92/65/1034309265.db2.gz CNIVLWZTTLKFBE-HNNXBMFYSA-N 1 2 328.334 3.590 20 30 EHEDLO C[C@@]1(C#N)CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000612159533 1034309272 /nfs/dbraw/zinc/30/92/72/1034309272.db2.gz CNIVLWZTTLKFBE-HNNXBMFYSA-N 1 2 328.334 3.590 20 30 EHEDLO C=CCOc1ccccc1C[NH2+]Cc1ccn(Cc2ccccc2)n1 ZINC000389958609 1034343774 /nfs/dbraw/zinc/34/37/74/1034343774.db2.gz YFZJLVXZUSFOIN-UHFFFAOYSA-N 1 2 333.435 3.786 20 30 EHEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000612406177 1034897727 /nfs/dbraw/zinc/89/77/27/1034897727.db2.gz JKNMTNIBXWDQIM-GOSISDBHSA-N 1 2 325.368 3.980 20 30 EHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000612406177 1034897739 /nfs/dbraw/zinc/89/77/39/1034897739.db2.gz JKNMTNIBXWDQIM-GOSISDBHSA-N 1 2 325.368 3.980 20 30 EHEDLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccccc1C(C)(C)C#N ZINC000305114448 1035681474 /nfs/dbraw/zinc/68/14/74/1035681474.db2.gz FCJCGOOUBHFJIJ-OAHLLOKOSA-N 1 2 348.450 3.678 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccc(OC)cc1 ZINC000122583999 1035869764 /nfs/dbraw/zinc/86/97/64/1035869764.db2.gz FTHZDISNJZHDIZ-HNNXBMFYSA-N 1 2 344.480 3.622 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccc(OC)cc1 ZINC000122583999 1035869782 /nfs/dbraw/zinc/86/97/82/1035869782.db2.gz FTHZDISNJZHDIZ-HNNXBMFYSA-N 1 2 344.480 3.622 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000492719117 1036211739 /nfs/dbraw/zinc/21/17/39/1036211739.db2.gz DFFUOAXJCYCCMG-UHFFFAOYSA-N 1 2 333.254 3.941 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCc3ccsc3C2)c1 ZINC000492719117 1036211752 /nfs/dbraw/zinc/21/17/52/1036211752.db2.gz DFFUOAXJCYCCMG-UHFFFAOYSA-N 1 2 333.254 3.941 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000492788325 1036292712 /nfs/dbraw/zinc/29/27/12/1036292712.db2.gz IFEXLEXADVONKH-MRXNPFEDSA-N 1 2 330.229 3.986 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000492788325 1036292731 /nfs/dbraw/zinc/29/27/31/1036292731.db2.gz IFEXLEXADVONKH-MRXNPFEDSA-N 1 2 330.229 3.986 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)c(C(F)(F)F)c1 ZINC000589510850 1036461325 /nfs/dbraw/zinc/46/13/25/1036461325.db2.gz QJAAFZLRKIQCGM-LBPRGKRZSA-N 1 2 334.288 3.781 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c(C(F)(F)F)c1 ZINC000589510850 1036461336 /nfs/dbraw/zinc/46/13/36/1036461336.db2.gz QJAAFZLRKIQCGM-LBPRGKRZSA-N 1 2 334.288 3.781 20 30 EHEDLO COC(=O)c1oc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000464816088 1036827193 /nfs/dbraw/zinc/82/71/93/1036827193.db2.gz RNGMWCDXUZKGSV-QZTJIDSGSA-N 1 2 338.407 3.646 20 30 EHEDLO COC(=O)c1oc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000464816088 1036827220 /nfs/dbraw/zinc/82/72/20/1036827220.db2.gz RNGMWCDXUZKGSV-QZTJIDSGSA-N 1 2 338.407 3.646 20 30 EHEDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccc(C#N)cc1 ZINC000089883023 1036850579 /nfs/dbraw/zinc/85/05/79/1036850579.db2.gz UJLKRPFOBQCEBI-UHFFFAOYSA-N 1 2 348.362 3.753 20 30 EHEDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccc(C#N)cc1 ZINC000089883023 1036850598 /nfs/dbraw/zinc/85/05/98/1036850598.db2.gz UJLKRPFOBQCEBI-UHFFFAOYSA-N 1 2 348.362 3.753 20 30 EHEDLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC#N)CC2)c(Cl)c1 ZINC000541951648 1036884474 /nfs/dbraw/zinc/88/44/74/1036884474.db2.gz GLUKQDOPSMELCJ-AWEZNQCLSA-N 1 2 333.863 3.910 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000532501953 1037528556 /nfs/dbraw/zinc/52/85/56/1037528556.db2.gz SJBGUQZRXXMJSV-IBGZPJMESA-N 1 2 325.843 3.722 20 30 EHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CC1 ZINC000538956390 1038613902 /nfs/dbraw/zinc/61/39/02/1038613902.db2.gz URYUYYJDZOPDJP-UHFFFAOYSA-N 1 2 340.246 3.711 20 30 EHEDLO C=CC[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CC1 ZINC000538956390 1038613906 /nfs/dbraw/zinc/61/39/06/1038613906.db2.gz URYUYYJDZOPDJP-UHFFFAOYSA-N 1 2 340.246 3.711 20 30 EHEDLO CO[C@H](C)c1nc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cs1 ZINC000363899775 1038837614 /nfs/dbraw/zinc/83/76/14/1038837614.db2.gz XZYXJJZVSBHWQR-MJJDPTRDSA-N 1 2 327.453 3.564 20 30 EHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)n1 ZINC000842147938 1039328950 /nfs/dbraw/zinc/32/89/50/1039328950.db2.gz NNWFZLGKLIXMHU-CQSZACIVSA-N 1 2 333.844 3.712 20 30 EHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)n1 ZINC000842147938 1039328972 /nfs/dbraw/zinc/32/89/72/1039328972.db2.gz NNWFZLGKLIXMHU-CQSZACIVSA-N 1 2 333.844 3.712 20 30 EHEDLO C=CCn1cccc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000489004780 1039553225 /nfs/dbraw/zinc/55/32/25/1039553225.db2.gz BPDZDFFFCQJSMP-IBGZPJMESA-N 1 2 348.450 3.659 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000567516733 1040038004 /nfs/dbraw/zinc/03/80/04/1040038004.db2.gz HNBYHKIAJLQGDZ-AZUAARDMSA-N 1 2 327.472 3.706 20 30 EHEDLO C=CCC[C@@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000489709859 1040148908 /nfs/dbraw/zinc/14/89/08/1040148908.db2.gz SCHGSGJFDXCKSV-VQTJNVASSA-N 1 2 336.435 3.811 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000573652107 1040187977 /nfs/dbraw/zinc/18/79/77/1040187977.db2.gz TZLOZFKITHJMII-UHFFFAOYSA-N 1 2 345.368 3.899 20 30 EHEDLO C=CC[C@H]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000626224336 1040222270 /nfs/dbraw/zinc/22/22/70/1040222270.db2.gz QJAARPMFCWDJAY-CABCVRRESA-N 1 2 348.516 3.805 20 30 EHEDLO C=CC[C@H]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000626224336 1040222293 /nfs/dbraw/zinc/22/22/93/1040222293.db2.gz QJAARPMFCWDJAY-CABCVRRESA-N 1 2 348.516 3.805 20 30 EHEDLO Cc1cccc(CN2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000162723693 1041248797 /nfs/dbraw/zinc/24/87/97/1041248797.db2.gz RLTCNJRCIQZYAD-IBGZPJMESA-N 1 2 349.478 3.604 20 30 EHEDLO N#Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC000432001138 1041460237 /nfs/dbraw/zinc/46/02/37/1041460237.db2.gz PENSLCDOECUQMV-UHFFFAOYSA-N 1 2 332.363 3.603 20 30 EHEDLO C#CC(C)(C)[N@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000279350944 1043986402 /nfs/dbraw/zinc/98/64/02/1043986402.db2.gz VOOUEEXEEBUCKX-UHFFFAOYSA-N 1 2 333.646 3.929 20 30 EHEDLO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000279350944 1043986409 /nfs/dbraw/zinc/98/64/09/1043986409.db2.gz VOOUEEXEEBUCKX-UHFFFAOYSA-N 1 2 333.646 3.929 20 30 EHEDLO C=CCc1cc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc(OC)c1O ZINC000344694889 1044292432 /nfs/dbraw/zinc/29/24/32/1044292432.db2.gz FJYDNELMSUBQHK-LBPRGKRZSA-N 1 2 348.468 3.583 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184988400 1126729678 /nfs/dbraw/zinc/72/96/78/1126729678.db2.gz LAPUKPROAGXRKO-ZBFHGGJFSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184988400 1126729683 /nfs/dbraw/zinc/72/96/83/1126729683.db2.gz LAPUKPROAGXRKO-ZBFHGGJFSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000765056171 1127568070 /nfs/dbraw/zinc/56/80/70/1127568070.db2.gz MHLVLMSCTMEPFB-GJZGRUSLSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c1=S ZINC000765056171 1127568073 /nfs/dbraw/zinc/56/80/73/1127568073.db2.gz MHLVLMSCTMEPFB-GJZGRUSLSA-N 1 2 343.500 3.740 20 30 EHEDLO CCCCCCCC[C@@H](CO)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001670976373 1128403428 /nfs/dbraw/zinc/40/34/28/1128403428.db2.gz AUKJWHPWARJSMT-INIZCTEOSA-N 1 2 332.448 3.567 20 30 EHEDLO C[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1cccc(C#N)c1 ZINC000106859787 1128514771 /nfs/dbraw/zinc/51/47/71/1128514771.db2.gz ZLIZTTYRFWNFKU-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1cccc(C#N)c1 ZINC000106859787 1128514772 /nfs/dbraw/zinc/51/47/72/1128514772.db2.gz ZLIZTTYRFWNFKU-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO N#Cc1cnc2ccccc2c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000301332094 1128585692 /nfs/dbraw/zinc/58/56/92/1128585692.db2.gz FBGCERGDXYHXCS-UHFFFAOYSA-N 1 2 339.402 3.963 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000301477255 1128592812 /nfs/dbraw/zinc/59/28/12/1128592812.db2.gz XAERTUKYQOKQCX-SFHVURJKSA-N 1 2 342.393 3.505 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000301547615 1128596331 /nfs/dbraw/zinc/59/63/31/1128596331.db2.gz LMIZAHBFAZVSRW-IBGZPJMESA-N 1 2 342.393 3.505 20 30 EHEDLO C=CC[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000186795470 1120474933 /nfs/dbraw/zinc/47/49/33/1120474933.db2.gz NCVDDQAOTHBHAR-OAQYLSRUSA-N 1 2 345.446 3.908 20 30 EHEDLO C=CCN(CC=C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193605033 1120787377 /nfs/dbraw/zinc/78/73/77/1120787377.db2.gz JZJFOXVKECITHD-CALCHBBNSA-N 1 2 343.471 3.502 20 30 EHEDLO C=CCN(CC=C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193605033 1120787378 /nfs/dbraw/zinc/78/73/78/1120787378.db2.gz JZJFOXVKECITHD-CALCHBBNSA-N 1 2 343.471 3.502 20 30 EHEDLO CC[N@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000153580413 1121363693 /nfs/dbraw/zinc/36/36/93/1121363693.db2.gz SWVGTSFDPUVQDL-KSSFIOAISA-N 1 2 335.879 3.605 20 30 EHEDLO CC[N@@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000153580413 1121363702 /nfs/dbraw/zinc/36/37/02/1121363702.db2.gz SWVGTSFDPUVQDL-KSSFIOAISA-N 1 2 335.879 3.605 20 30 EHEDLO FC(F)(F)c1cccnc1N=NC1CCN(c2cccc[nH+]2)CC1 ZINC000915960699 1121991470 /nfs/dbraw/zinc/99/14/70/1121991470.db2.gz PPWGWTIOZUHPDD-UHFFFAOYSA-N 1 2 335.333 3.564 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917408364 1122599010 /nfs/dbraw/zinc/59/90/10/1122599010.db2.gz KGRYUJFQKFFEPC-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917408364 1122599013 /nfs/dbraw/zinc/59/90/13/1122599013.db2.gz KGRYUJFQKFFEPC-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3ccsc3)no2)C2CC2)cc1 ZINC000194540084 1122733565 /nfs/dbraw/zinc/73/35/65/1122733565.db2.gz AEARESVBTGBNMW-UHFFFAOYSA-N 1 2 336.420 3.834 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3ccsc3)no2)C2CC2)cc1 ZINC000194540084 1122733571 /nfs/dbraw/zinc/73/35/71/1122733571.db2.gz AEARESVBTGBNMW-UHFFFAOYSA-N 1 2 336.420 3.834 20 30 EHEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000130716285 1122989027 /nfs/dbraw/zinc/98/90/27/1122989027.db2.gz KPYAQSBDEITDBW-UHFFFAOYSA-N 1 2 349.390 3.902 20 30 EHEDLO CC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000194988999 1123096521 /nfs/dbraw/zinc/09/65/21/1123096521.db2.gz JICOTDJZLHLSPC-UHFFFAOYSA-N 1 2 349.434 3.610 20 30 EHEDLO CC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000194988999 1123096525 /nfs/dbraw/zinc/09/65/25/1123096525.db2.gz JICOTDJZLHLSPC-UHFFFAOYSA-N 1 2 349.434 3.610 20 30 EHEDLO CC[N@@H+](Cc1ccc(-c2ccccc2C(=O)OC)o1)C[C@H](C)C#N ZINC000132222865 1123210910 /nfs/dbraw/zinc/21/09/10/1123210910.db2.gz VPHNMAOTNIWAPJ-CQSZACIVSA-N 1 2 326.396 3.715 20 30 EHEDLO CC[N@H+](Cc1ccc(-c2ccccc2C(=O)OC)o1)C[C@H](C)C#N ZINC000132222865 1123210914 /nfs/dbraw/zinc/21/09/14/1123210914.db2.gz VPHNMAOTNIWAPJ-CQSZACIVSA-N 1 2 326.396 3.715 20 30 EHEDLO CC[N@@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)o1)C[C@@H](C)C#N ZINC000132223094 1123211063 /nfs/dbraw/zinc/21/10/63/1123211063.db2.gz XIIFXIIIOPCMLX-AWEZNQCLSA-N 1 2 326.396 3.715 20 30 EHEDLO CC[N@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)o1)C[C@@H](C)C#N ZINC000132223094 1123211066 /nfs/dbraw/zinc/21/10/66/1123211066.db2.gz XIIFXIIIOPCMLX-AWEZNQCLSA-N 1 2 326.396 3.715 20 30 EHEDLO Cc1ccc(-c2cc(CO[NH+]=C(N)c3ccc(F)c(C)c3)on2)cc1 ZINC000920401240 1123363988 /nfs/dbraw/zinc/36/39/88/1123363988.db2.gz GSDPSDWWOULEQZ-UHFFFAOYSA-N 1 2 339.370 3.935 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920485236 1123374688 /nfs/dbraw/zinc/37/46/88/1123374688.db2.gz SBXAFTWNUBQSPN-CQSZACIVSA-N 1 2 332.473 3.938 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920485236 1123374693 /nfs/dbraw/zinc/37/46/93/1123374693.db2.gz SBXAFTWNUBQSPN-CQSZACIVSA-N 1 2 332.473 3.938 20 30 EHEDLO N#CC1(c2ccc(Nc3ccccc3C[NH+]3CCOCC3)cc2)CC1 ZINC001212256105 1123540593 /nfs/dbraw/zinc/54/05/93/1123540593.db2.gz MMMKAMLYRBCJAH-UHFFFAOYSA-N 1 2 333.435 3.818 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C#N ZINC000135113191 1123583609 /nfs/dbraw/zinc/58/36/09/1123583609.db2.gz HNDYQVBOTKRDLU-PMACEKPBSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C#N ZINC000135113191 1123583612 /nfs/dbraw/zinc/58/36/12/1123583612.db2.gz HNDYQVBOTKRDLU-PMACEKPBSA-N 1 2 331.419 3.839 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC001626067583 1129142965 /nfs/dbraw/zinc/14/29/65/1129142965.db2.gz RDCYDOIATKIQOZ-QAPCUYQASA-N 1 2 330.497 3.922 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC001626067583 1129142966 /nfs/dbraw/zinc/14/29/66/1129142966.db2.gz RDCYDOIATKIQOZ-QAPCUYQASA-N 1 2 330.497 3.922 20 30 EHEDLO N#Cc1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1Cl ZINC000619747217 1125400329 /nfs/dbraw/zinc/40/03/29/1125400329.db2.gz LXXYEILQNBNSIR-UHFFFAOYSA-N 1 2 327.819 3.604 20 30 EHEDLO N#Cc1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1Cl ZINC000619747217 1125400331 /nfs/dbraw/zinc/40/03/31/1125400331.db2.gz LXXYEILQNBNSIR-UHFFFAOYSA-N 1 2 327.819 3.604 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922520717 1129560312 /nfs/dbraw/zinc/56/03/12/1129560312.db2.gz ONDMKXRFRQRJNB-QUCCMNQESA-N 1 2 325.383 3.650 20 30 EHEDLO Cc1cccc(C2=CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000092821827 1129563417 /nfs/dbraw/zinc/56/34/17/1129563417.db2.gz YUAXDSBUXKKXPX-KRWDZBQOSA-N 1 2 345.446 3.983 20 30 EHEDLO Cc1cccc(C2=CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000092821827 1129563421 /nfs/dbraw/zinc/56/34/21/1129563421.db2.gz YUAXDSBUXKKXPX-KRWDZBQOSA-N 1 2 345.446 3.983 20 30 EHEDLO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000093360012 1129585887 /nfs/dbraw/zinc/58/58/87/1129585887.db2.gz GYAKVWHWGDAWPJ-INIZCTEOSA-N 1 2 345.855 3.510 20 30 EHEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000093360012 1129585891 /nfs/dbraw/zinc/58/58/91/1129585891.db2.gz GYAKVWHWGDAWPJ-INIZCTEOSA-N 1 2 345.855 3.510 20 30 EHEDLO C=CC[N@H+](Cc1ccc(C2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000676307378 1130557217 /nfs/dbraw/zinc/55/72/17/1130557217.db2.gz VTYNBZNXCHCINM-LJQANCHMSA-N 1 2 333.497 3.519 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(C2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000676307378 1130557221 /nfs/dbraw/zinc/55/72/21/1130557221.db2.gz VTYNBZNXCHCINM-LJQANCHMSA-N 1 2 333.497 3.519 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C)c1C=NNc1cc[nH+]c2ccccc12 ZINC000730148094 1130679135 /nfs/dbraw/zinc/67/91/35/1130679135.db2.gz OAERRBBNGVLRDP-UHFFFAOYSA-N 1 2 341.418 3.905 20 30 EHEDLO CCOc1ccc(/C=[NH+]\CCc2c[nH]c3ccc(OC)cc23)c(O)c1 ZINC000733081487 1130989022 /nfs/dbraw/zinc/98/90/22/1130989022.db2.gz ZRDSVYFTIJOHCI-MTJSOVHGSA-N 1 2 338.407 3.942 20 30 EHEDLO CC(C)c1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC000733309156 1131019868 /nfs/dbraw/zinc/01/98/68/1131019868.db2.gz CFHSPQGWLFILQC-UHFFFAOYSA-N 1 2 325.412 3.713 20 30 EHEDLO CSCC[C@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000736319126 1131416347 /nfs/dbraw/zinc/41/63/47/1131416347.db2.gz USFYFHKYYCQQTC-QWHCGFSZSA-N 1 2 347.509 3.546 20 30 EHEDLO CSCC[C@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000736319126 1131416350 /nfs/dbraw/zinc/41/63/50/1131416350.db2.gz USFYFHKYYCQQTC-QWHCGFSZSA-N 1 2 347.509 3.546 20 30 EHEDLO Cc1cccn2c(/C=C3\SC(=Nc4ccccc4C)NC3=O)c[nH+]c12 ZINC000741468100 1131606021 /nfs/dbraw/zinc/60/60/21/1131606021.db2.gz FGGIVRIKFNPBNM-YBEGLDIGSA-N 1 2 348.431 3.843 20 30 EHEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1C ZINC000741790740 1131648402 /nfs/dbraw/zinc/64/84/02/1131648402.db2.gz LBQGNKZJGTZCRQ-RDBSUJKOSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)[C@H]1C ZINC000741790740 1131648403 /nfs/dbraw/zinc/64/84/03/1131648403.db2.gz LBQGNKZJGTZCRQ-RDBSUJKOSA-N 1 2 327.453 3.593 20 30 EHEDLO CC1CC[NH+](c2ccc(Nc3ncc([N+](=O)[O-])cc3C#N)cc2)CC1 ZINC000743304699 1131889621 /nfs/dbraw/zinc/88/96/21/1131889621.db2.gz USQASCCDDIKKKW-UHFFFAOYSA-N 1 2 337.383 3.841 20 30 EHEDLO CC#CCOC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000745095360 1132192149 /nfs/dbraw/zinc/19/21/49/1132192149.db2.gz OUQLVLPWSYTGPE-OAHLLOKOSA-N 1 2 327.346 3.655 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174976612 1132509869 /nfs/dbraw/zinc/50/98/69/1132509869.db2.gz YBBBIZDOWWBYAU-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO N#CC1(c2cccc(NCCc3cn4ccccc4[nH+]3)c2)CCOCC1 ZINC001169008416 1132631818 /nfs/dbraw/zinc/63/18/18/1132631818.db2.gz CSKCOCQAWMEPAU-UHFFFAOYSA-N 1 2 346.434 3.561 20 30 EHEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cc2cnccc2o1 ZINC001175638476 1132719411 /nfs/dbraw/zinc/71/94/11/1132719411.db2.gz MZTKPSQHCLTRLC-LBPRGKRZSA-N 1 2 345.362 3.600 20 30 EHEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC001169843693 1132873916 /nfs/dbraw/zinc/87/39/16/1132873916.db2.gz HQZUJKPFTUXGFM-OAHLLOKOSA-N 1 2 333.435 3.706 20 30 EHEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC001169843693 1132873924 /nfs/dbraw/zinc/87/39/24/1132873924.db2.gz HQZUJKPFTUXGFM-OAHLLOKOSA-N 1 2 333.435 3.706 20 30 EHEDLO COc1sc(C[N@H+](CCC#N)CC(C)C)cc1Br ZINC000768155241 1133102709 /nfs/dbraw/zinc/10/27/09/1133102709.db2.gz XENCDYQJIDXGHK-UHFFFAOYSA-N 1 2 331.279 3.891 20 30 EHEDLO COc1sc(C[N@@H+](CCC#N)CC(C)C)cc1Br ZINC000768155241 1133102711 /nfs/dbraw/zinc/10/27/11/1133102711.db2.gz XENCDYQJIDXGHK-UHFFFAOYSA-N 1 2 331.279 3.891 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[C@H](C#N)CC1)c1ccccc1Cl ZINC001182223898 1133599803 /nfs/dbraw/zinc/59/98/03/1133599803.db2.gz NBEHXUZGBQKMPT-MPGHIAIKSA-N 1 2 347.890 3.921 20 30 EHEDLO Cc1cc(Cl)cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC001182874124 1133741996 /nfs/dbraw/zinc/74/19/96/1133741996.db2.gz OTLPPHISBUUQDO-UHFFFAOYSA-N 1 2 331.872 3.904 20 30 EHEDLO C#CCC1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCCC1 ZINC000788250109 1134101767 /nfs/dbraw/zinc/10/17/67/1134101767.db2.gz VICBNDANPYFHET-UHFFFAOYSA-N 1 2 341.499 3.876 20 30 EHEDLO Cc1cc(F)c(C#N)c(Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)c1 ZINC001186325167 1134195236 /nfs/dbraw/zinc/19/52/36/1134195236.db2.gz CJCHNWMMADUTCE-ZIAGYGMSSA-N 1 2 340.402 3.758 20 30 EHEDLO C[NH+](C)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000746816769 1134274388 /nfs/dbraw/zinc/27/43/88/1134274388.db2.gz UJPGQCGRBYQSQF-DZGUVLCISA-N 1 2 347.802 3.676 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)CNc3ccc(C#N)cc3)c2)[nH+]c1C ZINC000746881951 1134372910 /nfs/dbraw/zinc/37/29/10/1134372910.db2.gz RXZKQFJPISYKRV-UHFFFAOYSA-N 1 2 345.406 3.616 20 30 EHEDLO COc1cc(C(C)=NNc2[nH+]ccn2C)ccc1SC(F)F ZINC000790300320 1134398958 /nfs/dbraw/zinc/39/89/58/1134398958.db2.gz UECIFESBRUGNTB-UHFFFAOYSA-N 1 2 326.372 3.580 20 30 EHEDLO CCCCCCCCS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001187992944 1134409640 /nfs/dbraw/zinc/40/96/40/1134409640.db2.gz ZNLHIZBQMSCEST-UHFFFAOYSA-N 1 2 335.473 3.975 20 30 EHEDLO COc1ccc(NN=Cc2cccc3[nH+]ccn32)c(C(F)(F)F)c1 ZINC000793099262 1134853806 /nfs/dbraw/zinc/85/38/06/1134853806.db2.gz RREMPDMYGOOTEG-UHFFFAOYSA-N 1 2 334.301 3.808 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000805756190 1135329652 /nfs/dbraw/zinc/32/96/52/1135329652.db2.gz UZFGLIMKEGFGJE-CQSZACIVSA-N 1 2 342.240 3.705 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000805756190 1135329659 /nfs/dbraw/zinc/32/96/59/1135329659.db2.gz UZFGLIMKEGFGJE-CQSZACIVSA-N 1 2 342.240 3.705 20 30 EHEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC001195289459 1135407565 /nfs/dbraw/zinc/40/75/65/1135407565.db2.gz NJJJCEATCWGUNO-UKRRQHHQSA-N 1 2 332.419 3.640 20 30 EHEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1C#N ZINC001195289459 1135407571 /nfs/dbraw/zinc/40/75/71/1135407571.db2.gz NJJJCEATCWGUNO-UKRRQHHQSA-N 1 2 332.419 3.640 20 30 EHEDLO N#Cc1cccc2c1C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC001195704119 1135457454 /nfs/dbraw/zinc/45/74/54/1135457454.db2.gz GQIHDFBVUIRJFZ-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO N#Cc1cccc2c1C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC001195704119 1135457456 /nfs/dbraw/zinc/45/74/56/1135457456.db2.gz GQIHDFBVUIRJFZ-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO O=C1c2ccc(Cl)nc2C/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000806577384 1135465135 /nfs/dbraw/zinc/46/51/35/1135465135.db2.gz BTHSGGDQVYXPML-YHYXMXQVSA-N 1 2 327.796 3.805 20 30 EHEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](CC)CO1 ZINC001195861687 1135478436 /nfs/dbraw/zinc/47/84/36/1135478436.db2.gz KMYAMFLIBYHDGV-GJZGRUSLSA-N 1 2 326.362 3.966 20 30 EHEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](CC)CO1 ZINC001195861687 1135478438 /nfs/dbraw/zinc/47/84/38/1135478438.db2.gz KMYAMFLIBYHDGV-GJZGRUSLSA-N 1 2 326.362 3.966 20 30 EHEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=S)Nc1cccc(C#N)c1 ZINC001197704034 1135727540 /nfs/dbraw/zinc/72/75/40/1135727540.db2.gz BSFCKVPWUCXYTE-UHFFFAOYSA-N 1 2 347.447 3.573 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000775801397 1135753560 /nfs/dbraw/zinc/75/35/60/1135753560.db2.gz XSBNQDDIWPDACN-IRXDYDNUSA-N 1 2 346.883 3.658 20 30 EHEDLO C#C[C@H](NCc1c[nH+]c2c(C)cccn12)c1ccc(Cl)cc1F ZINC000809699322 1135869195 /nfs/dbraw/zinc/86/91/95/1135869195.db2.gz QBJQPJVXVAJJLP-KRWDZBQOSA-N 1 2 327.790 3.899 20 30 EHEDLO C#C[C@@H](NC(=O)Nc1ccn2cc[nH+]c2c1)c1ccc(Cl)cc1F ZINC000810231569 1135941921 /nfs/dbraw/zinc/94/19/21/1135941921.db2.gz FVXFLOYISMLVLY-OAHLLOKOSA-N 1 2 342.761 3.623 20 30 EHEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H](C)CC(C)(C)C#N)CC2)cs1 ZINC000851208074 1136351375 /nfs/dbraw/zinc/35/13/75/1136351375.db2.gz NNKHYHDGUJNEOR-ZDUSSCGKSA-N 1 2 349.500 3.535 20 30 EHEDLO C=CCC(C)(C)COC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000814006051 1136390571 /nfs/dbraw/zinc/39/05/71/1136390571.db2.gz YTDBLHHMHFJYJS-UHFFFAOYSA-N 1 2 336.501 3.809 20 30 EHEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000852100701 1136433024 /nfs/dbraw/zinc/43/30/24/1136433024.db2.gz ZRGDKAMVNZCZMB-IBGZPJMESA-N 1 2 327.428 3.807 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000852320195 1136447922 /nfs/dbraw/zinc/44/79/22/1136447922.db2.gz XLNHVPGJJATJPX-GFCCVEGCSA-N 1 2 339.411 3.565 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000852320195 1136447924 /nfs/dbraw/zinc/44/79/24/1136447924.db2.gz XLNHVPGJJATJPX-GFCCVEGCSA-N 1 2 339.411 3.565 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000852325953 1136448854 /nfs/dbraw/zinc/44/88/54/1136448854.db2.gz LDJJBTBOOIOTET-FQEVSTJZSA-N 1 2 339.414 3.547 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000852325953 1136448857 /nfs/dbraw/zinc/44/88/57/1136448857.db2.gz LDJJBTBOOIOTET-FQEVSTJZSA-N 1 2 339.414 3.547 20 30 EHEDLO CC(=[NH+]NCc1ccc(Br)cc1)c1cc(N)ccc1F ZINC000814829041 1136512325 /nfs/dbraw/zinc/51/23/25/1136512325.db2.gz HJGPYJTYPYSULY-UHFFFAOYSA-N 1 2 336.208 3.684 20 30 EHEDLO C=CC[N@H+](CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1)[C@@H](C)COC ZINC000853534246 1136542478 /nfs/dbraw/zinc/54/24/78/1136542478.db2.gz HSYXAYALGCURCQ-HKUYNNGSSA-N 1 2 342.483 3.611 20 30 EHEDLO C=CC[N@@H+](CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1)[C@@H](C)COC ZINC000853534246 1136542483 /nfs/dbraw/zinc/54/24/83/1136542483.db2.gz HSYXAYALGCURCQ-HKUYNNGSSA-N 1 2 342.483 3.611 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H](C3CCC3)C2)nc1C1CC1 ZINC000853590349 1136547084 /nfs/dbraw/zinc/54/70/84/1136547084.db2.gz RLBAGNFJCZSOGB-MRXNPFEDSA-N 1 2 332.517 3.947 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H](C3CCC3)C2)nc1C1CC1 ZINC000853590349 1136547086 /nfs/dbraw/zinc/54/70/86/1136547086.db2.gz RLBAGNFJCZSOGB-MRXNPFEDSA-N 1 2 332.517 3.947 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000816551493 1136733118 /nfs/dbraw/zinc/73/31/18/1136733118.db2.gz CYFNVQSMNWVIHM-CYBMUJFWSA-N 1 2 332.350 3.641 20 30 EHEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1OC ZINC000816647158 1136744505 /nfs/dbraw/zinc/74/45/05/1136744505.db2.gz OCGUCFVASDWOTN-NEPJUHHUSA-N 1 2 340.261 3.863 20 30 EHEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1OC ZINC000816647158 1136744506 /nfs/dbraw/zinc/74/45/06/1136744506.db2.gz OCGUCFVASDWOTN-NEPJUHHUSA-N 1 2 340.261 3.863 20 30 EHEDLO COc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c(Cl)c1 ZINC000819014166 1136903351 /nfs/dbraw/zinc/90/33/51/1136903351.db2.gz LSQZZXHBENVJOF-VOTSOKGWSA-N 1 2 336.844 3.763 20 30 EHEDLO CCCCCCCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000859334363 1137012069 /nfs/dbraw/zinc/01/20/69/1137012069.db2.gz NCGLIMDHGHQGBS-LJQANCHMSA-N 1 2 329.492 3.841 20 30 EHEDLO CCCCCCCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccnn1C ZINC000859334363 1137012072 /nfs/dbraw/zinc/01/20/72/1137012072.db2.gz NCGLIMDHGHQGBS-LJQANCHMSA-N 1 2 329.492 3.841 20 30 EHEDLO COc1cc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)ccc1C#N ZINC001136399200 1137012752 /nfs/dbraw/zinc/01/27/52/1137012752.db2.gz NKPCMJMGLZDZLZ-UHFFFAOYSA-N 1 2 346.390 3.826 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143732953 1137193125 /nfs/dbraw/zinc/19/31/25/1137193125.db2.gz ZEMHMZIYBCRPDW-ZDUSSCGKSA-N 1 2 334.847 3.765 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143732953 1137193126 /nfs/dbraw/zinc/19/31/26/1137193126.db2.gz ZEMHMZIYBCRPDW-ZDUSSCGKSA-N 1 2 334.847 3.765 20 30 EHEDLO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143732012 1137194785 /nfs/dbraw/zinc/19/47/85/1137194785.db2.gz LRBIUTMQNPXWPI-MRXNPFEDSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143732012 1137194787 /nfs/dbraw/zinc/19/47/87/1137194787.db2.gz LRBIUTMQNPXWPI-MRXNPFEDSA-N 1 2 341.842 3.959 20 30 EHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc(F)cc(F)c1C)CCC2 ZINC001143761401 1137196258 /nfs/dbraw/zinc/19/62/58/1137196258.db2.gz KOUBEYMQIASUSM-UHFFFAOYSA-N 1 2 347.409 3.578 20 30 EHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc(F)cc(F)c1C)CCC2 ZINC001143761401 1137196259 /nfs/dbraw/zinc/19/62/59/1137196259.db2.gz KOUBEYMQIASUSM-UHFFFAOYSA-N 1 2 347.409 3.578 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1C#N ZINC000844441796 1137224023 /nfs/dbraw/zinc/22/40/23/1137224023.db2.gz SVTJDXYPKRBGPW-GOSISDBHSA-N 1 2 342.393 3.674 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1C#N ZINC000844441796 1137224024 /nfs/dbraw/zinc/22/40/24/1137224024.db2.gz SVTJDXYPKRBGPW-GOSISDBHSA-N 1 2 342.393 3.674 20 30 EHEDLO C=CC[C@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001144026928 1137230356 /nfs/dbraw/zinc/23/03/56/1137230356.db2.gz MHVOWPUMRXJULD-NHYWBVRUSA-N 1 2 329.271 3.925 20 30 EHEDLO CCOCc1cc(CNc2[nH]c3ccc(C#N)cc3[nH+]2)ccc1OC ZINC000865296086 1137275451 /nfs/dbraw/zinc/27/54/51/1137275451.db2.gz QBVXPSMJASKTEJ-UHFFFAOYSA-N 1 2 336.395 3.592 20 30 EHEDLO N#Cc1cc(C(F)(F)F)cc(NCCCCNc2cccc[nH+]2)n1 ZINC000865500458 1137289328 /nfs/dbraw/zinc/28/93/28/1137289328.db2.gz XVICPFQPGJALRG-UHFFFAOYSA-N 1 2 335.333 3.671 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(C(C)(C)C)[nH]c1=O ZINC000866001770 1137323982 /nfs/dbraw/zinc/32/39/82/1137323982.db2.gz QQCGKKXKUBXZQT-UHFFFAOYSA-N 1 2 339.439 3.884 20 30 EHEDLO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1O ZINC000866261001 1137340393 /nfs/dbraw/zinc/34/03/93/1137340393.db2.gz MFEICABEZIDGKA-LBPRGKRZSA-N 1 2 329.469 3.911 20 30 EHEDLO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866287758 1137342783 /nfs/dbraw/zinc/34/27/83/1137342783.db2.gz QTBVKOBZIVNPOV-FHSNZYRGSA-N 1 2 328.387 3.566 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866297644 1137343476 /nfs/dbraw/zinc/34/34/76/1137343476.db2.gz LEIBLBPCGXUYDD-RHSMWYFYSA-N 1 2 335.407 3.796 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866298355 1137343605 /nfs/dbraw/zinc/34/36/05/1137343605.db2.gz YBWKHLDMPXDYIN-XFQXTVEOSA-N 1 2 340.398 3.929 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866336439 1137347050 /nfs/dbraw/zinc/34/70/50/1137347050.db2.gz FQOJCBKRHQWBKL-BOFPYLFWSA-N 1 2 340.398 3.974 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1cccc(C#N)c1O ZINC000866365322 1137349699 /nfs/dbraw/zinc/34/96/99/1137349699.db2.gz VAXXTWZYQXZMCK-OAVHHTNSSA-N 1 2 328.437 3.678 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001171233159 1137356183 /nfs/dbraw/zinc/35/61/83/1137356183.db2.gz ZMPRRTWZZNWXIZ-QFBILLFUSA-N 1 2 347.453 3.685 20 30 EHEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876682045 1137658884 /nfs/dbraw/zinc/65/88/84/1137658884.db2.gz DIJZGBBZBCZQIL-INIZCTEOSA-N 1 2 327.815 3.952 20 30 EHEDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876682045 1137658885 /nfs/dbraw/zinc/65/88/85/1137658885.db2.gz DIJZGBBZBCZQIL-INIZCTEOSA-N 1 2 327.815 3.952 20 30 EHEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 ZINC000126128701 1137660186 /nfs/dbraw/zinc/66/01/86/1137660186.db2.gz INDKJSJONUTAQZ-KRWDZBQOSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 ZINC000126128701 1137660187 /nfs/dbraw/zinc/66/01/87/1137660187.db2.gz INDKJSJONUTAQZ-KRWDZBQOSA-N 1 2 339.439 3.664 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)c1 ZINC000876767118 1137660771 /nfs/dbraw/zinc/66/07/71/1137660771.db2.gz BKVPMCPPVPJNLQ-KRWDZBQOSA-N 1 2 339.826 3.844 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)c1 ZINC000876767118 1137660772 /nfs/dbraw/zinc/66/07/72/1137660772.db2.gz BKVPMCPPVPJNLQ-KRWDZBQOSA-N 1 2 339.826 3.844 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878728389 1137726520 /nfs/dbraw/zinc/72/65/20/1137726520.db2.gz NCPVSOCZCQPEAQ-CYBMUJFWSA-N 1 2 337.452 3.608 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1csc(-c2ccn(C)n2)n1 ZINC000878728389 1137726521 /nfs/dbraw/zinc/72/65/21/1137726521.db2.gz NCPVSOCZCQPEAQ-CYBMUJFWSA-N 1 2 337.452 3.608 20 30 EHEDLO N#Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1C1CC1 ZINC000881125705 1137800740 /nfs/dbraw/zinc/80/07/40/1137800740.db2.gz TXDOSPCGIAWDPD-UHFFFAOYSA-N 1 2 335.411 3.570 20 30 EHEDLO C=CC[C@H](C)Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000882031915 1137819388 /nfs/dbraw/zinc/81/93/88/1137819388.db2.gz RIKDBRJDBOIJBJ-INIZCTEOSA-N 1 2 342.512 3.979 20 30 EHEDLO C=CCCn1cc(C[NH2+]Cc2ccc(Cl)cc2OC(C)C)nn1 ZINC000883258847 1137850975 /nfs/dbraw/zinc/85/09/75/1137850975.db2.gz RBHFOQJIVKBQCG-UHFFFAOYSA-N 1 2 334.851 3.585 20 30 EHEDLO COc1cccc2c1OCCC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000883330749 1137855667 /nfs/dbraw/zinc/85/56/67/1137855667.db2.gz KVVUQHHTMGVVBU-SUMWQHHRSA-N 1 2 338.407 3.837 20 30 EHEDLO C=CCCC[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000883587435 1137864600 /nfs/dbraw/zinc/86/46/00/1137864600.db2.gz IQFAQSYYRKEXEE-ZWKOTPCHSA-N 1 2 338.455 3.595 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000187379292 1140253339 /nfs/dbraw/zinc/25/33/39/1140253339.db2.gz OLGUNOBAXKRJKX-CQSZACIVSA-N 1 2 341.846 3.587 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000187379292 1140253344 /nfs/dbraw/zinc/25/33/44/1140253344.db2.gz OLGUNOBAXKRJKX-CQSZACIVSA-N 1 2 341.846 3.587 20 30 EHEDLO CC(C)[C@H](Cc1ccccc1)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000777447869 1140315754 /nfs/dbraw/zinc/31/57/54/1140315754.db2.gz KITWZWJHVYMRHC-FQEVSTJZSA-N 1 2 336.483 3.895 20 30 EHEDLO C=CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000271426051 1141363650 /nfs/dbraw/zinc/36/36/50/1141363650.db2.gz MGFGXWHSBBDAOJ-ZDUSSCGKSA-N 1 2 334.489 3.557 20 30 EHEDLO C=CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1CC1 ZINC000271426051 1141363658 /nfs/dbraw/zinc/36/36/58/1141363658.db2.gz MGFGXWHSBBDAOJ-ZDUSSCGKSA-N 1 2 334.489 3.557 20 30 EHEDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271678145 1141417202 /nfs/dbraw/zinc/41/72/02/1141417202.db2.gz OKZZQDXBSKWVKX-CQSZACIVSA-N 1 2 348.406 3.776 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc2c1OCO2 ZINC000348879350 1141602507 /nfs/dbraw/zinc/60/25/07/1141602507.db2.gz SMSIVPYVXJEDSN-UHFFFAOYSA-N 1 2 327.428 3.771 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc2c1OCO2 ZINC000348879350 1141602508 /nfs/dbraw/zinc/60/25/08/1141602508.db2.gz SMSIVPYVXJEDSN-UHFFFAOYSA-N 1 2 327.428 3.771 20 30 EHEDLO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000584304370 1032103911 /nfs/dbraw/zinc/10/39/11/1032103911.db2.gz RCKAVJVVQMCUQX-LJQANCHMSA-N 1 2 347.890 3.751 20 30 EHEDLO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Cl ZINC000584304370 1032103918 /nfs/dbraw/zinc/10/39/18/1032103918.db2.gz RCKAVJVVQMCUQX-LJQANCHMSA-N 1 2 347.890 3.751 20 30 EHEDLO CCCc1cc(C#N)c(N2CCC(n3cc[nH+]c3)CC2)nc1Cl ZINC001167125847 1016207844 /nfs/dbraw/zinc/20/78/44/1016207844.db2.gz HXEZDCTXQAPWLE-UHFFFAOYSA-N 1 2 329.835 3.597 20 30 EHEDLO N#Cc1ccccc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430312910 1016328801 /nfs/dbraw/zinc/32/88/01/1016328801.db2.gz DIDLHDDEHQBHIU-UHFFFAOYSA-N 1 2 328.419 3.593 20 30 EHEDLO N#Cc1ccccc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430312910 1016328812 /nfs/dbraw/zinc/32/88/12/1016328812.db2.gz DIDLHDDEHQBHIU-UHFFFAOYSA-N 1 2 328.419 3.593 20 30 EHEDLO N#CC1(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000780488761 1016434527 /nfs/dbraw/zinc/43/45/27/1016434527.db2.gz WEGKRNFQXGCISC-GOSISDBHSA-N 1 2 326.440 3.668 20 30 EHEDLO N#CC1(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000780488761 1016434540 /nfs/dbraw/zinc/43/45/40/1016434540.db2.gz WEGKRNFQXGCISC-GOSISDBHSA-N 1 2 326.440 3.668 20 30 EHEDLO N#Cc1cc2ccccc2nc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782977965 1016929008 /nfs/dbraw/zinc/92/90/08/1016929008.db2.gz HGVGXPRZNASSBI-UHFFFAOYSA-N 1 2 345.450 4.000 20 30 EHEDLO Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000905002073 1032316319 /nfs/dbraw/zinc/31/63/19/1032316319.db2.gz FICYACLWWADNDV-ODSUSYTRSA-N 1 2 345.295 3.698 20 30 EHEDLO Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000905002073 1032316324 /nfs/dbraw/zinc/31/63/24/1032316324.db2.gz FICYACLWWADNDV-ODSUSYTRSA-N 1 2 345.295 3.698 20 30 EHEDLO C[N@H+](CCC(C)(C)C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000538468989 1032392939 /nfs/dbraw/zinc/39/29/39/1032392939.db2.gz XUSLNROXGTXACA-UHFFFAOYSA-N 1 2 328.243 3.804 20 30 EHEDLO C[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000538468989 1032392948 /nfs/dbraw/zinc/39/29/48/1032392948.db2.gz XUSLNROXGTXACA-UHFFFAOYSA-N 1 2 328.243 3.804 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3/CCc4ccc([N+](=O)[O-])cc4C3=O)n2c1 ZINC000588598457 1032448498 /nfs/dbraw/zinc/44/84/98/1032448498.db2.gz FCDBNDVORYHVOW-ZSOIEALJSA-N 1 2 333.347 3.763 20 30 EHEDLO CCC(CC)CN(CCC#N)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602094736 1032638175 /nfs/dbraw/zinc/63/81/75/1032638175.db2.gz VKBXYLBELMXVFG-AWEZNQCLSA-N 1 2 344.381 3.555 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)nc1NCc1ccccc1-n1cc[nH+]c1 ZINC000091506298 1032707158 /nfs/dbraw/zinc/70/71/58/1032707158.db2.gz WLLIGCOYXIQTGG-UHFFFAOYSA-N 1 2 343.312 3.770 20 30 EHEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(F)cc3C#N)c2c1 ZINC001210551619 1018261092 /nfs/dbraw/zinc/26/10/92/1018261092.db2.gz RFANSQRPKVWFLS-UHFFFAOYSA-N 1 2 335.338 3.588 20 30 EHEDLO Cc1nc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)nc2ccccc12 ZINC000728714921 1018419308 /nfs/dbraw/zinc/41/93/08/1018419308.db2.gz DBQYIWUZPJKDAB-AWEZNQCLSA-N 1 2 332.407 3.519 20 30 EHEDLO COC(=O)c1sc(SC)c(C#N)c1Nc1cc(C)[nH+]c(OC)c1 ZINC001210774370 1018651268 /nfs/dbraw/zinc/65/12/68/1018651268.db2.gz MHSABEMZZRWROO-UHFFFAOYSA-N 1 2 349.437 3.584 20 30 EHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000580725913 1019918647 /nfs/dbraw/zinc/91/86/47/1019918647.db2.gz XZWHJTKMBYSODB-XIRDDKMYSA-N 1 2 325.399 3.961 20 30 EHEDLO Cn1c(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc2ccccc21 ZINC000897595383 1032878049 /nfs/dbraw/zinc/87/80/49/1032878049.db2.gz AIJHSOWMDJDJAO-OAQYLSRUSA-N 1 2 331.419 3.623 20 30 EHEDLO Cn1c(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc2ccccc21 ZINC000897595383 1032878069 /nfs/dbraw/zinc/87/80/69/1032878069.db2.gz AIJHSOWMDJDJAO-OAQYLSRUSA-N 1 2 331.419 3.623 20 30 EHEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897596183 1032887582 /nfs/dbraw/zinc/88/75/82/1032887582.db2.gz MWFZNXZFIHGTJS-FQEVSTJZSA-N 1 2 338.455 3.526 20 30 EHEDLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897596183 1032887599 /nfs/dbraw/zinc/88/75/99/1032887599.db2.gz MWFZNXZFIHGTJS-FQEVSTJZSA-N 1 2 338.455 3.526 20 30 EHEDLO C[N@H+](Cc1c(C(F)(F)F)nc2n1CCCC2)Cc1ccc(C#N)cc1 ZINC000602439125 1032889769 /nfs/dbraw/zinc/88/97/69/1032889769.db2.gz NAQNKCOHJCCSON-UHFFFAOYSA-N 1 2 348.372 3.742 20 30 EHEDLO C[N@@H+](Cc1c(C(F)(F)F)nc2n1CCCC2)Cc1ccc(C#N)cc1 ZINC000602439125 1032889786 /nfs/dbraw/zinc/88/97/86/1032889786.db2.gz NAQNKCOHJCCSON-UHFFFAOYSA-N 1 2 348.372 3.742 20 30 EHEDLO N#Cc1cccc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000602492906 1032921135 /nfs/dbraw/zinc/92/11/35/1032921135.db2.gz SVEULWDAMOOIAX-UHFFFAOYSA-N 1 2 329.407 3.765 20 30 EHEDLO COc1ccc2c(c1OC)CC[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000439448521 1021451577 /nfs/dbraw/zinc/45/15/77/1021451577.db2.gz HERIKRWPASJAST-UHFFFAOYSA-N 1 2 342.826 3.787 20 30 EHEDLO COc1ccc2c(c1OC)CC[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000439448521 1021451589 /nfs/dbraw/zinc/45/15/89/1021451589.db2.gz HERIKRWPASJAST-UHFFFAOYSA-N 1 2 342.826 3.787 20 30 EHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000518725982 1021467360 /nfs/dbraw/zinc/46/73/60/1021467360.db2.gz DKQQHVVFESYUFS-UHFFFAOYSA-N 1 2 329.806 3.931 20 30 EHEDLO C=CC[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440882552 1021842723 /nfs/dbraw/zinc/84/27/23/1021842723.db2.gz WQHONVORBCNAFZ-WMZOPIPTSA-N 1 2 326.444 3.505 20 30 EHEDLO CC(C)(C)OC(=O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441147939 1022026186 /nfs/dbraw/zinc/02/61/86/1022026186.db2.gz RRRMFQSIMBYAMG-UHFFFAOYSA-N 1 2 333.859 3.745 20 30 EHEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)c(Cl)c1 ZINC000894978218 1022330783 /nfs/dbraw/zinc/33/07/83/1022330783.db2.gz MZJCOBMFJSYAHG-UHFFFAOYSA-N 1 2 344.871 3.772 20 30 EHEDLO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000328779918 1022497906 /nfs/dbraw/zinc/49/79/06/1022497906.db2.gz UGPLBANZYMUOFA-HNNXBMFYSA-N 1 2 331.441 3.795 20 30 EHEDLO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000328779918 1022497918 /nfs/dbraw/zinc/49/79/18/1022497918.db2.gz UGPLBANZYMUOFA-HNNXBMFYSA-N 1 2 331.441 3.795 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)n2)C1 ZINC000328908179 1022541741 /nfs/dbraw/zinc/54/17/41/1022541741.db2.gz CSCYDWUEDQGMMY-MCIONIFRSA-N 1 2 349.500 3.968 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)n2)C1 ZINC000328908179 1022541745 /nfs/dbraw/zinc/54/17/45/1022541745.db2.gz CSCYDWUEDQGMMY-MCIONIFRSA-N 1 2 349.500 3.968 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610632950 1023040857 /nfs/dbraw/zinc/04/08/57/1023040857.db2.gz BTAYSXJESLYTNI-MSOLQXFVSA-N 1 2 345.406 3.638 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC1(CC#N)CC1 ZINC000602762215 1033132690 /nfs/dbraw/zinc/13/26/90/1033132690.db2.gz LHGBSJDRYKTQJC-UHFFFAOYSA-N 1 2 326.227 3.558 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC1(CC#N)CC1 ZINC000602762215 1033132700 /nfs/dbraw/zinc/13/27/00/1033132700.db2.gz LHGBSJDRYKTQJC-UHFFFAOYSA-N 1 2 326.227 3.558 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(OC)c1OC ZINC000092646299 1023473396 /nfs/dbraw/zinc/47/33/96/1023473396.db2.gz UZPAXFRQUNFDDJ-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(OC)c1OC ZINC000092646299 1023473402 /nfs/dbraw/zinc/47/34/02/1023473402.db2.gz UZPAXFRQUNFDDJ-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000341975691 1023729530 /nfs/dbraw/zinc/72/95/30/1023729530.db2.gz JUMUJQGKWIGKAI-UHFFFAOYSA-N 1 2 345.830 3.747 20 30 EHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1C[C@@]12CCOC2 ZINC000329661709 1024016350 /nfs/dbraw/zinc/01/63/50/1024016350.db2.gz OOOJGGBXHJSRIO-OXQOHEQNSA-N 1 2 335.407 3.616 20 30 EHEDLO COc1ccc(C2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC2)cc1 ZINC000329757265 1024180921 /nfs/dbraw/zinc/18/09/21/1024180921.db2.gz MTORXZAXAOQACQ-OAHLLOKOSA-N 1 2 339.439 3.533 20 30 EHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)[C@H]1C ZINC000329793327 1024198537 /nfs/dbraw/zinc/19/85/37/1024198537.db2.gz VMEWCGBQVXBRBM-VRKREXBASA-N 1 2 338.883 3.565 20 30 EHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)[C@H]1C ZINC000329793327 1024198544 /nfs/dbraw/zinc/19/85/44/1024198544.db2.gz VMEWCGBQVXBRBM-VRKREXBASA-N 1 2 338.883 3.565 20 30 EHEDLO Cc1nsc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000342208003 1024395946 /nfs/dbraw/zinc/39/59/46/1024395946.db2.gz PQZVYAZMNMYLAV-GFCCVEGCSA-N 1 2 348.422 3.678 20 30 EHEDLO Cc1nsc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000342208003 1024395962 /nfs/dbraw/zinc/39/59/62/1024395962.db2.gz PQZVYAZMNMYLAV-GFCCVEGCSA-N 1 2 348.422 3.678 20 30 EHEDLO CC(C)CCN(CCC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425180931 1024407506 /nfs/dbraw/zinc/40/75/06/1024407506.db2.gz URMAFRIJWDOEGD-GOSISDBHSA-N 1 2 338.455 3.720 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000346276674 1024566317 /nfs/dbraw/zinc/56/63/17/1024566317.db2.gz MCRVNFOEHZGLFX-AWEZNQCLSA-N 1 2 330.453 3.772 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000346276674 1024566323 /nfs/dbraw/zinc/56/63/23/1024566323.db2.gz MCRVNFOEHZGLFX-AWEZNQCLSA-N 1 2 330.453 3.772 20 30 EHEDLO C[C@H](C#N)CN(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000281041686 1024588503 /nfs/dbraw/zinc/58/85/03/1024588503.db2.gz QCRFJPOCBCCQOX-CQSZACIVSA-N 1 2 337.427 3.510 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@H](C)CN1Cc1ccccc1C#N ZINC000346436410 1024733788 /nfs/dbraw/zinc/73/37/88/1024733788.db2.gz QRAFQPYNEOCXHZ-QZTJIDSGSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)[C@H](C)CN1Cc1ccccc1C#N ZINC000346436410 1024733800 /nfs/dbraw/zinc/73/38/00/1024733800.db2.gz QRAFQPYNEOCXHZ-QZTJIDSGSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccccc1F ZINC000052927817 1024756981 /nfs/dbraw/zinc/75/69/81/1024756981.db2.gz RZCCIPGWDRXHKM-INIZCTEOSA-N 1 2 339.414 3.593 20 30 EHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccccc1F ZINC000052927817 1024756991 /nfs/dbraw/zinc/75/69/91/1024756991.db2.gz RZCCIPGWDRXHKM-INIZCTEOSA-N 1 2 339.414 3.593 20 30 EHEDLO N#CC1(CCCn2nc(C(F)(F)F)c3c[nH+]ccc32)CCOCC1 ZINC000281381949 1024961123 /nfs/dbraw/zinc/96/11/23/1024961123.db2.gz PDEKWFUZYMNEEA-UHFFFAOYSA-N 1 2 338.333 3.551 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428104859 1024984081 /nfs/dbraw/zinc/98/40/81/1024984081.db2.gz VPNIWIVXDRVCIU-INIZCTEOSA-N 1 2 336.361 3.732 20 30 EHEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000521052469 1025182801 /nfs/dbraw/zinc/18/28/01/1025182801.db2.gz XNJVNMMOTFTPGF-UHFFFAOYSA-N 1 2 349.390 3.522 20 30 EHEDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000521052469 1025182809 /nfs/dbraw/zinc/18/28/09/1025182809.db2.gz XNJVNMMOTFTPGF-UHFFFAOYSA-N 1 2 349.390 3.522 20 30 EHEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000184889063 1025651625 /nfs/dbraw/zinc/65/16/25/1025651625.db2.gz COMJPVCXJSYWFO-CQSZACIVSA-N 1 2 346.390 3.503 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cccc(C#N)c2C)c1C ZINC000178572135 1026024468 /nfs/dbraw/zinc/02/44/68/1026024468.db2.gz CNWNXAZMEDILTE-UHFFFAOYSA-N 1 2 338.411 3.551 20 30 EHEDLO CCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000451521822 1026070987 /nfs/dbraw/zinc/07/09/87/1026070987.db2.gz AFLOWSQIPFCIHO-LRDDRELGSA-N 1 2 337.261 3.568 20 30 EHEDLO CCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000451521822 1026070992 /nfs/dbraw/zinc/07/09/92/1026070992.db2.gz AFLOWSQIPFCIHO-LRDDRELGSA-N 1 2 337.261 3.568 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)o2)cc1 ZINC000186165023 1026290032 /nfs/dbraw/zinc/29/00/32/1026290032.db2.gz IUYIEXPUHHJHMH-UHFFFAOYSA-N 1 2 342.402 3.656 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3Cc4ccccc4C4(CC4)C3)o2)cc1 ZINC000186165023 1026290040 /nfs/dbraw/zinc/29/00/40/1026290040.db2.gz IUYIEXPUHHJHMH-UHFFFAOYSA-N 1 2 342.402 3.656 20 30 EHEDLO C[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268226390 1027222593 /nfs/dbraw/zinc/22/25/93/1027222593.db2.gz DLUZAUYIPPWEIK-BLLLJJGKSA-N 1 2 334.345 3.861 20 30 EHEDLO Cc1occc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000414441621 1027351299 /nfs/dbraw/zinc/35/12/99/1027351299.db2.gz FPSUABNNCQSWLC-SFHVURJKSA-N 1 2 329.831 3.624 20 30 EHEDLO Cc1noc([C@@H](C)[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)n1 ZINC000444681307 1028151993 /nfs/dbraw/zinc/15/19/93/1028151993.db2.gz ULEUTSHGPYQOSP-MRXNPFEDSA-N 1 2 346.434 3.929 20 30 EHEDLO Cc1occc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000055057703 1028258533 /nfs/dbraw/zinc/25/85/33/1028258533.db2.gz JQKFAUQCBJJEQB-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO Cc1occc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000055057703 1028258549 /nfs/dbraw/zinc/25/85/49/1028258549.db2.gz JQKFAUQCBJJEQB-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1cccc(C#N)c1 ZINC000195729220 1028309194 /nfs/dbraw/zinc/30/91/94/1028309194.db2.gz VOKSKRHNMVNFED-KRWDZBQOSA-N 1 2 345.446 3.524 20 30 EHEDLO C=CC[N@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1cccc(C#N)c1 ZINC000195729220 1028309210 /nfs/dbraw/zinc/30/92/10/1028309210.db2.gz VOKSKRHNMVNFED-KRWDZBQOSA-N 1 2 345.446 3.524 20 30 EHEDLO C[C@H](c1nnc(SCCC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000058165645 1028380290 /nfs/dbraw/zinc/38/02/90/1028380290.db2.gz VYHYVHNSMSTEGB-LLVKDONJSA-N 1 2 335.864 3.549 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455558013 1028452604 /nfs/dbraw/zinc/45/26/04/1028452604.db2.gz MELZTYHCLFMLQC-UHFFFAOYSA-N 1 2 336.439 3.692 20 30 EHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000367228180 1028937962 /nfs/dbraw/zinc/93/79/62/1028937962.db2.gz ABTVEHSUGBHCCF-UHFFFAOYSA-N 1 2 345.805 3.637 20 30 EHEDLO C=CCn1cc(C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)nn1 ZINC000424299730 1028939724 /nfs/dbraw/zinc/93/97/24/1028939724.db2.gz WFANGSSSLRMXGK-NSHDSACASA-N 1 2 345.497 3.808 20 30 EHEDLO C=CC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000532965629 1029109255 /nfs/dbraw/zinc/10/92/55/1029109255.db2.gz IYDQMWVFTRMTJW-UHFFFAOYSA-N 1 2 343.496 3.725 20 30 EHEDLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCc1cccc(C#N)c1 ZINC000161854007 1029300534 /nfs/dbraw/zinc/30/05/34/1029300534.db2.gz AXUCETIJDUBTKI-MRXNPFEDSA-N 1 2 349.434 3.880 20 30 EHEDLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCc1cccc(C#N)c1 ZINC000161854007 1029300552 /nfs/dbraw/zinc/30/05/52/1029300552.db2.gz AXUCETIJDUBTKI-MRXNPFEDSA-N 1 2 349.434 3.880 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Br)[C@@H]2CCC[C@H]2O1 ZINC000440958134 1029407979 /nfs/dbraw/zinc/40/79/79/1029407979.db2.gz KEFAUDKOEXQDRI-HZPDHXFCSA-N 1 2 349.272 3.853 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H]2CCC[C@H]2O1 ZINC000440958134 1029407985 /nfs/dbraw/zinc/40/79/85/1029407985.db2.gz KEFAUDKOEXQDRI-HZPDHXFCSA-N 1 2 349.272 3.853 20 30 EHEDLO Cc1cc(-c2noc([C@H](C)[NH+]3CCC(C)(C#N)CC3)n2)ccc1F ZINC000272492294 1029482665 /nfs/dbraw/zinc/48/26/65/1029482665.db2.gz CHSAZEHPFFYPMN-ZDUSSCGKSA-N 1 2 328.391 3.871 20 30 EHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCc2cccnc21 ZINC000329276083 1030228306 /nfs/dbraw/zinc/22/83/06/1030228306.db2.gz IWOSCUZXZBJDCN-HNNXBMFYSA-N 1 2 342.468 3.842 20 30 EHEDLO C=C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000159945564 1030459886 /nfs/dbraw/zinc/45/98/86/1030459886.db2.gz QPNMDTHYUCUUBT-QGZVFWFLSA-N 1 2 349.409 3.988 20 30 EHEDLO CC[N@@H+](Cc1ccc(OC)cc1OCc1cccnc1)C[C@H](C)C#N ZINC000447741870 1030460712 /nfs/dbraw/zinc/46/07/12/1030460712.db2.gz AWXWCZAHVWNPBK-MRXNPFEDSA-N 1 2 339.439 3.651 20 30 EHEDLO CC[N@H+](Cc1ccc(OC)cc1OCc1cccnc1)C[C@H](C)C#N ZINC000447741870 1030460722 /nfs/dbraw/zinc/46/07/22/1030460722.db2.gz AWXWCZAHVWNPBK-MRXNPFEDSA-N 1 2 339.439 3.651 20 30 EHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000537661891 1030916600 /nfs/dbraw/zinc/91/66/00/1030916600.db2.gz VTWOJOCZBUWCOS-ZDUSSCGKSA-N 1 2 325.368 3.979 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000537661891 1030916616 /nfs/dbraw/zinc/91/66/16/1030916616.db2.gz VTWOJOCZBUWCOS-ZDUSSCGKSA-N 1 2 325.368 3.979 20 30 EHEDLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3OC)CCO2)cc1 ZINC000484356793 1031543564 /nfs/dbraw/zinc/54/35/64/1031543564.db2.gz NVDZCFXMVVOLCO-NRFANRHFSA-N 1 2 336.435 3.703 20 30 EHEDLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3OC)CCO2)cc1 ZINC000484356793 1031543575 /nfs/dbraw/zinc/54/35/75/1031543575.db2.gz NVDZCFXMVVOLCO-NRFANRHFSA-N 1 2 336.435 3.703 20 30 EHEDLO C[NH+](C)C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528011627 1031590920 /nfs/dbraw/zinc/59/09/20/1031590920.db2.gz PXCZRGNGCTUOJC-FFSVYQOJSA-N 1 2 326.271 3.878 20 30 EHEDLO CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000180781843 1031909273 /nfs/dbraw/zinc/90/92/73/1031909273.db2.gz KGNLXRKLWMODRZ-OAHLLOKOSA-N 1 2 336.420 3.942 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484791325 1031963713 /nfs/dbraw/zinc/96/37/13/1031963713.db2.gz PDLXJMSOOZTVJB-UHFFFAOYSA-N 1 2 342.405 3.866 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000484791325 1031963724 /nfs/dbraw/zinc/96/37/24/1031963724.db2.gz PDLXJMSOOZTVJB-UHFFFAOYSA-N 1 2 342.405 3.866 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000459402923 1032046588 /nfs/dbraw/zinc/04/65/88/1032046588.db2.gz FYSZSJKERBIAOF-CYBMUJFWSA-N 1 2 343.333 3.734 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000459402923 1032046598 /nfs/dbraw/zinc/04/65/98/1032046598.db2.gz FYSZSJKERBIAOF-CYBMUJFWSA-N 1 2 343.333 3.734 20 30 EHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000602993389 1033295045 /nfs/dbraw/zinc/29/50/45/1033295045.db2.gz ZUIKCROELUKKGU-CQSZACIVSA-N 1 2 349.475 3.701 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2coc(-c3cccc(F)c3)n2)ccc1F ZINC000063457619 1033358039 /nfs/dbraw/zinc/35/80/39/1033358039.db2.gz PAUQHARBWHEJRY-UHFFFAOYSA-N 1 2 343.333 3.765 20 30 EHEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594914120 1033541098 /nfs/dbraw/zinc/54/10/98/1033541098.db2.gz CXPDUNZJBIRIHE-FQEVSTJZSA-N 1 2 342.446 3.854 20 30 EHEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cs1 ZINC000594933010 1033583121 /nfs/dbraw/zinc/58/31/21/1033583121.db2.gz XEBFMNCKERUJQT-ZDUSSCGKSA-N 1 2 327.453 3.695 20 30 EHEDLO CC(C)(C)OCc1cc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)no1 ZINC000594946093 1033590968 /nfs/dbraw/zinc/59/09/68/1033590968.db2.gz NULWDIKTMKBXNW-UHFFFAOYSA-N 1 2 339.439 3.835 20 30 EHEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842776 1034005646 /nfs/dbraw/zinc/00/56/46/1034005646.db2.gz HAPZSAAVKKUMHM-IBGZPJMESA-N 1 2 342.874 3.937 20 30 EHEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842776 1034005663 /nfs/dbraw/zinc/00/56/63/1034005663.db2.gz HAPZSAAVKKUMHM-IBGZPJMESA-N 1 2 342.874 3.937 20 30 EHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596218266 1034125579 /nfs/dbraw/zinc/12/55/79/1034125579.db2.gz IVGAVFPCIDINLE-JTQLQIEISA-N 1 2 338.889 3.613 20 30 EHEDLO CN(C)c1nc(N[C@@H](CCC#N)c2ccccc2)[nH+]c2ccccc21 ZINC000450384524 1034240789 /nfs/dbraw/zinc/24/07/89/1034240789.db2.gz BKQUQUTUVAXKST-KRWDZBQOSA-N 1 2 331.423 3.575 20 30 EHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OCC)CC2)c1=S ZINC000060445326 1034539955 /nfs/dbraw/zinc/53/99/55/1034539955.db2.gz LIMZWCLWTJHINR-UHFFFAOYSA-N 1 2 331.485 3.817 20 30 EHEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](COc4ccccc4)C3)cc2)CC1 ZINC000597113193 1034544726 /nfs/dbraw/zinc/54/47/26/1034544726.db2.gz MDJLKIWVZKNXMV-NRFANRHFSA-N 1 2 348.446 3.522 20 30 EHEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@H](COc4ccccc4)C3)cc2)CC1 ZINC000597113193 1034544736 /nfs/dbraw/zinc/54/47/36/1034544736.db2.gz MDJLKIWVZKNXMV-NRFANRHFSA-N 1 2 348.446 3.522 20 30 EHEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)cc2)CC1 ZINC000597113194 1034545775 /nfs/dbraw/zinc/54/57/75/1034545775.db2.gz MDJLKIWVZKNXMV-OAQYLSRUSA-N 1 2 348.446 3.522 20 30 EHEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)cc2)CC1 ZINC000597113194 1034545781 /nfs/dbraw/zinc/54/57/81/1034545781.db2.gz MDJLKIWVZKNXMV-OAQYLSRUSA-N 1 2 348.446 3.522 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1C#N ZINC000534487394 1034592795 /nfs/dbraw/zinc/59/27/95/1034592795.db2.gz QZNJSRLUJMSYHO-LJQANCHMSA-N 1 2 338.382 3.821 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1C#N ZINC000534487394 1034592801 /nfs/dbraw/zinc/59/28/01/1034592801.db2.gz QZNJSRLUJMSYHO-LJQANCHMSA-N 1 2 338.382 3.821 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000450644485 1034616690 /nfs/dbraw/zinc/61/66/90/1034616690.db2.gz KWTZUSVKNKLYPF-NRFANRHFSA-N 1 2 334.419 3.673 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000450644485 1034616700 /nfs/dbraw/zinc/61/67/00/1034616700.db2.gz KWTZUSVKNKLYPF-NRFANRHFSA-N 1 2 334.419 3.673 20 30 EHEDLO C=CC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)Cc1ccccc1F ZINC000535084909 1035976522 /nfs/dbraw/zinc/97/65/22/1035976522.db2.gz ACAILLXFZKKCFF-UHFFFAOYSA-N 1 2 340.377 3.734 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)Cc1ccccc1F ZINC000535084909 1035976535 /nfs/dbraw/zinc/97/65/35/1035976535.db2.gz ACAILLXFZKKCFF-UHFFFAOYSA-N 1 2 340.377 3.734 20 30 EHEDLO Cn1cc(CNc2ccc([NH+](C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180309087 1036605564 /nfs/dbraw/zinc/60/55/64/1036605564.db2.gz XHPQAAJWSDRNAA-UHFFFAOYSA-N 1 2 331.423 3.637 20 30 EHEDLO C=CCC(CC=C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000177097160 1036766504 /nfs/dbraw/zinc/76/65/04/1036766504.db2.gz DEMWMWDSZHQCAX-QGZVFWFLSA-N 1 2 342.483 3.669 20 30 EHEDLO CC(C)(C)C[C@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000057874607 1037223188 /nfs/dbraw/zinc/22/31/88/1037223188.db2.gz AVQFODSNFBYQDP-SFHVURJKSA-N 1 2 345.462 3.655 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(SC)cc1 ZINC000491398424 1037439790 /nfs/dbraw/zinc/43/97/90/1037439790.db2.gz STGAQIIEMPBTKJ-UHFFFAOYSA-N 1 2 330.453 3.671 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(SC)cc1 ZINC000491398424 1037439798 /nfs/dbraw/zinc/43/97/98/1037439798.db2.gz STGAQIIEMPBTKJ-UHFFFAOYSA-N 1 2 330.453 3.671 20 30 EHEDLO C=CCC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000532495137 1037538220 /nfs/dbraw/zinc/53/82/20/1037538220.db2.gz FKQBPBVYAGHISJ-GOSISDBHSA-N 1 2 326.444 3.670 20 30 EHEDLO COc1cc2c(cc1OC)C[N@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000166849477 1037542083 /nfs/dbraw/zinc/54/20/83/1037542083.db2.gz PPOLAISBTKFEQB-UHFFFAOYSA-N 1 2 341.838 3.767 20 30 EHEDLO COc1cc2c(cc1OC)C[N@@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000166849477 1037542088 /nfs/dbraw/zinc/54/20/88/1037542088.db2.gz PPOLAISBTKFEQB-UHFFFAOYSA-N 1 2 341.838 3.767 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376548807 1037579957 /nfs/dbraw/zinc/57/99/57/1037579957.db2.gz YSGBYJNBQXSSGE-LLVKDONJSA-N 1 2 330.354 3.641 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376548807 1037579973 /nfs/dbraw/zinc/57/99/73/1037579973.db2.gz YSGBYJNBQXSSGE-LLVKDONJSA-N 1 2 330.354 3.641 20 30 EHEDLO C#CC[N@H+](Cc1ccccc1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000491632699 1037595974 /nfs/dbraw/zinc/59/59/74/1037595974.db2.gz QEWRLHSSWCQSRQ-UHFFFAOYSA-N 1 2 343.430 3.788 20 30 EHEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000491632699 1037595984 /nfs/dbraw/zinc/59/59/84/1037595984.db2.gz QEWRLHSSWCQSRQ-UHFFFAOYSA-N 1 2 343.430 3.788 20 30 EHEDLO COc1ccc2c(c1)C[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001168230748 1037816227 /nfs/dbraw/zinc/81/62/27/1037816227.db2.gz NDJUQPTUUILEKQ-JTQLQIEISA-N 1 2 345.258 3.585 20 30 EHEDLO N#Cc1cnccc1C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000592074717 1037824807 /nfs/dbraw/zinc/82/48/07/1037824807.db2.gz MMDXVNWTYAICQL-HNNXBMFYSA-N 1 2 348.233 3.913 20 30 EHEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000592074717 1037824830 /nfs/dbraw/zinc/82/48/30/1037824830.db2.gz MMDXVNWTYAICQL-HNNXBMFYSA-N 1 2 348.233 3.913 20 30 EHEDLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150076 1037851390 /nfs/dbraw/zinc/85/13/90/1037851390.db2.gz CHWMLRJUPOLWID-ACJLOTCBSA-N 1 2 345.830 3.715 20 30 EHEDLO Cc1nc([C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150076 1037851409 /nfs/dbraw/zinc/85/14/09/1037851409.db2.gz CHWMLRJUPOLWID-ACJLOTCBSA-N 1 2 345.830 3.715 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCC3CCCC3)CC2)cc1 ZINC000463292490 1038003989 /nfs/dbraw/zinc/00/39/89/1038003989.db2.gz VIMWHDDSBYTSNU-UHFFFAOYSA-N 1 2 339.483 3.563 20 30 EHEDLO C=C(C)C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512445374 1039172681 /nfs/dbraw/zinc/17/26/81/1039172681.db2.gz ZKYDIZKQJLFCLP-UHFFFAOYSA-N 1 2 329.827 3.855 20 30 EHEDLO C=C(C)C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512445374 1039172688 /nfs/dbraw/zinc/17/26/88/1039172688.db2.gz ZKYDIZKQJLFCLP-UHFFFAOYSA-N 1 2 329.827 3.855 20 30 EHEDLO C=CCC(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000555870261 1041257993 /nfs/dbraw/zinc/25/79/93/1041257993.db2.gz ZRVJZCNSPTZQAV-INIZCTEOSA-N 1 2 330.472 3.503 20 30 EHEDLO C[C@@H]1CN(c2ccc(N[C@@H]3CCc4ccc(C#N)cc43)c[nH+]2)C[C@H](C)O1 ZINC000566767698 1041342322 /nfs/dbraw/zinc/34/23/22/1041342322.db2.gz OTXFFEXPPOKRNC-QEEYODRMSA-N 1 2 348.450 3.666 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H](C)COC ZINC000661242775 1042023367 /nfs/dbraw/zinc/02/33/67/1042023367.db2.gz FVTYZGOTFZQTSC-ZDUSSCGKSA-N 1 2 346.452 3.562 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H](C)COC ZINC000661242775 1042023373 /nfs/dbraw/zinc/02/33/73/1042023373.db2.gz FVTYZGOTFZQTSC-ZDUSSCGKSA-N 1 2 346.452 3.562 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344101295 1043250732 /nfs/dbraw/zinc/25/07/32/1043250732.db2.gz CXHOISZJZFWJMD-OAHLLOKOSA-N 1 2 349.434 3.558 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344101295 1043250744 /nfs/dbraw/zinc/25/07/44/1043250744.db2.gz CXHOISZJZFWJMD-OAHLLOKOSA-N 1 2 349.434 3.558 20 30 EHEDLO C#CC(C)(C)[N@@H+](C)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000279396078 1044040905 /nfs/dbraw/zinc/04/09/05/1044040905.db2.gz ZDOGPWQVXXUSAP-UHFFFAOYSA-N 1 2 330.453 3.671 20 30 EHEDLO C#CC(C)(C)[N@H+](C)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000279396078 1044040914 /nfs/dbraw/zinc/04/09/14/1044040914.db2.gz ZDOGPWQVXXUSAP-UHFFFAOYSA-N 1 2 330.453 3.671 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)o2)c1 ZINC000075586686 1125608348 /nfs/dbraw/zinc/60/83/48/1125608348.db2.gz RWYADHDPCWXGGL-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccc(F)cc3)C3CC3)o2)c1 ZINC000075586686 1125608350 /nfs/dbraw/zinc/60/83/50/1125608350.db2.gz RWYADHDPCWXGGL-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO N#Cc1ccc(CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000193057797 1126943571 /nfs/dbraw/zinc/94/35/71/1126943571.db2.gz PNBKHAJKDOQQSA-UHFFFAOYSA-N 1 2 342.402 3.549 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(c3cncc4ccccc43)CC2)c1F ZINC000338542503 1127792749 /nfs/dbraw/zinc/79/27/49/1127792749.db2.gz ASEIFTNONZRFJA-UHFFFAOYSA-N 1 2 346.409 3.568 20 30 EHEDLO Cn1ncc2c1nc[nH+]c2NCc1ccc(-c2ccccc2C#N)cc1 ZINC000090988482 1128429241 /nfs/dbraw/zinc/42/92/41/1128429241.db2.gz QLAOJLNROPVXSM-UHFFFAOYSA-N 1 2 340.390 3.514 20 30 EHEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCCCCC3)c2)c(Cl)c1 ZINC000301206680 1128578329 /nfs/dbraw/zinc/57/83/29/1128578329.db2.gz TVFCQBDQFDBIIF-UHFFFAOYSA-N 1 2 341.846 3.994 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301210454 1128578973 /nfs/dbraw/zinc/57/89/73/1128578973.db2.gz USGICHVCHCNDTG-LJQANCHMSA-N 1 2 341.842 3.697 20 30 EHEDLO CC(=O)c1ccc(C#N)c(NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000302122832 1128621131 /nfs/dbraw/zinc/62/11/31/1128621131.db2.gz VDJMTJWJWWVXBU-UHFFFAOYSA-N 1 2 330.391 3.618 20 30 EHEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000302132277 1128621945 /nfs/dbraw/zinc/62/19/45/1128621945.db2.gz YOIRCUMGYTYMPG-VMPITWQZSA-N 1 2 345.446 3.596 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921743333 1128714853 /nfs/dbraw/zinc/71/48/53/1128714853.db2.gz PGFFECFMVVDBSF-HNNXBMFYSA-N 1 2 327.428 3.943 20 30 EHEDLO CCc1ccc([C@H]2C[N@H+](CCOc3ccc(C#N)cc3)CCO2)cc1 ZINC000484555490 1120352209 /nfs/dbraw/zinc/35/22/09/1120352209.db2.gz DZBOSJYHRGMSSM-OAQYLSRUSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1ccc([C@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCO2)cc1 ZINC000484555490 1120352216 /nfs/dbraw/zinc/35/22/16/1120352216.db2.gz DZBOSJYHRGMSSM-OAQYLSRUSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1ccc([C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)CCO2)cc1 ZINC000484555489 1120352330 /nfs/dbraw/zinc/35/23/30/1120352330.db2.gz DZBOSJYHRGMSSM-NRFANRHFSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1ccc([C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCO2)cc1 ZINC000484555489 1120352334 /nfs/dbraw/zinc/35/23/34/1120352334.db2.gz DZBOSJYHRGMSSM-NRFANRHFSA-N 1 2 336.435 3.573 20 30 EHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000153313600 1121665750 /nfs/dbraw/zinc/66/57/50/1121665750.db2.gz OTHQHOOIWBWTRO-UHFFFAOYSA-N 1 2 346.390 3.540 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCc3sccc3C2)cc1Cl ZINC000609322586 1123453815 /nfs/dbraw/zinc/45/38/15/1123453815.db2.gz DMZXSJQBVFEYLS-UHFFFAOYSA-N 1 2 345.855 3.660 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCc3sccc3C2)cc1Cl ZINC000609322586 1123453816 /nfs/dbraw/zinc/45/38/16/1123453816.db2.gz DMZXSJQBVFEYLS-UHFFFAOYSA-N 1 2 345.855 3.660 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000078321666 1129131524 /nfs/dbraw/zinc/13/15/24/1129131524.db2.gz SAUTYQJTELWNOZ-UHFFFAOYSA-N 1 2 347.871 3.961 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000078321666 1129131526 /nfs/dbraw/zinc/13/15/26/1129131526.db2.gz SAUTYQJTELWNOZ-UHFFFAOYSA-N 1 2 347.871 3.961 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccco2)cc1C ZINC000175135788 1123605964 /nfs/dbraw/zinc/60/59/64/1123605964.db2.gz VWZQOLZLDAZOHW-QGZVFWFLSA-N 1 2 339.439 3.836 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)c2ccco2)cc1C ZINC000175135788 1123605966 /nfs/dbraw/zinc/60/59/66/1123605966.db2.gz VWZQOLZLDAZOHW-QGZVFWFLSA-N 1 2 339.439 3.836 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610026252 1123720083 /nfs/dbraw/zinc/72/00/83/1123720083.db2.gz IALNPVFWRIQKKD-UHFFFAOYSA-N 1 2 333.395 3.650 20 30 EHEDLO CCn1c[nH+]cc1/C=C1\Cc2cc(Br)cc(C)c2C1=O ZINC000901499708 1124983149 /nfs/dbraw/zinc/98/31/49/1124983149.db2.gz KITJCHYUGVCKFN-KPKJPENVSA-N 1 2 331.213 3.796 20 30 EHEDLO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cccc(F)c1 ZINC000096982002 1129753029 /nfs/dbraw/zinc/75/30/29/1129753029.db2.gz SLJFEHBCQVERPC-UHFFFAOYSA-N 1 2 345.443 3.836 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cccc(F)c1 ZINC000096982002 1129753033 /nfs/dbraw/zinc/75/30/33/1129753033.db2.gz SLJFEHBCQVERPC-UHFFFAOYSA-N 1 2 345.443 3.836 20 30 EHEDLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000172912391 1130167299 /nfs/dbraw/zinc/16/72/99/1130167299.db2.gz HNWASQXUWOKVPH-CYBMUJFWSA-N 1 2 339.826 3.597 20 30 EHEDLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000172912391 1130167301 /nfs/dbraw/zinc/16/73/01/1130167301.db2.gz HNWASQXUWOKVPH-CYBMUJFWSA-N 1 2 339.826 3.597 20 30 EHEDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173366282 1130219314 /nfs/dbraw/zinc/21/93/14/1130219314.db2.gz PQSPMMWRULVPCO-CYBMUJFWSA-N 1 2 334.379 3.507 20 30 EHEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173366282 1130219320 /nfs/dbraw/zinc/21/93/20/1130219320.db2.gz PQSPMMWRULVPCO-CYBMUJFWSA-N 1 2 334.379 3.507 20 30 EHEDLO C[N@H+](Cc1cc2ccccc2o1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175195847 1130413409 /nfs/dbraw/zinc/41/34/09/1130413409.db2.gz NIQSGOUSOWYDMN-UHFFFAOYSA-N 1 2 344.374 3.986 20 30 EHEDLO C[N@@H+](Cc1cc2ccccc2o1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175195847 1130413411 /nfs/dbraw/zinc/41/34/11/1130413411.db2.gz NIQSGOUSOWYDMN-UHFFFAOYSA-N 1 2 344.374 3.986 20 30 EHEDLO Cc1ccc(N=NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)nn1 ZINC000729937896 1130656725 /nfs/dbraw/zinc/65/67/25/1130656725.db2.gz KFJJABFUUOUPGP-UHFFFAOYSA-N 1 2 347.825 3.641 20 30 EHEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)c(C)n1-c1nccs1 ZINC000730148596 1130679423 /nfs/dbraw/zinc/67/94/23/1130679423.db2.gz YOEIUGBXXPOPCD-UHFFFAOYSA-N 1 2 347.447 3.967 20 30 EHEDLO C=CC1CC[NH+](Cn2[nH]c(/C=C\c3ccc(C)o3)nc2=S)CC1 ZINC000732181182 1130894428 /nfs/dbraw/zinc/89/44/28/1130894428.db2.gz MOXYOQIJWXQPIX-SREVYHEPSA-N 1 2 330.457 3.868 20 30 EHEDLO C[C@H]1CCCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734001367 1131181152 /nfs/dbraw/zinc/18/11/52/1131181152.db2.gz CDMHIKWGOLZLRY-KBPBESRZSA-N 1 2 327.453 3.737 20 30 EHEDLO C[C@H]1CCCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734001367 1131181155 /nfs/dbraw/zinc/18/11/55/1131181155.db2.gz CDMHIKWGOLZLRY-KBPBESRZSA-N 1 2 327.453 3.737 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000739904256 1131516201 /nfs/dbraw/zinc/51/62/01/1131516201.db2.gz RNKQJZNWANBMEV-OAQYLSRUSA-N 1 2 348.446 3.727 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc([N+](=O)[O-])cc1 ZINC000737444448 1131638824 /nfs/dbraw/zinc/63/88/24/1131638824.db2.gz RJTZLZVWTWAJPD-SREVYHEPSA-N 1 2 327.727 3.792 20 30 EHEDLO CC1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000741804848 1131652538 /nfs/dbraw/zinc/65/25/38/1131652538.db2.gz MMSDNDZEIFBIKR-CQSZACIVSA-N 1 2 341.480 3.985 20 30 EHEDLO CC1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000741804848 1131652542 /nfs/dbraw/zinc/65/25/42/1131652542.db2.gz MMSDNDZEIFBIKR-CQSZACIVSA-N 1 2 341.480 3.985 20 30 EHEDLO COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@@H](C)CCCC#N ZINC001172485064 1131740116 /nfs/dbraw/zinc/74/01/16/1131740116.db2.gz LJMLEKZCMIRBRV-YJBOKZPZSA-N 1 2 346.471 3.620 20 30 EHEDLO N#Cc1c2ccccc2sc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212666414 1131763430 /nfs/dbraw/zinc/76/34/30/1131763430.db2.gz NONOIROTBURBGY-UHFFFAOYSA-N 1 2 335.432 3.693 20 30 EHEDLO N#Cc1ccc2ccccc2c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212668135 1131784438 /nfs/dbraw/zinc/78/44/38/1131784438.db2.gz JEONJVQEUDMLMB-UHFFFAOYSA-N 1 2 329.403 3.632 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000743359184 1131901445 /nfs/dbraw/zinc/90/14/45/1131901445.db2.gz UGPRMPCCNCBSFR-WIYYLYMNSA-N 1 2 334.463 3.894 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000743359184 1131901450 /nfs/dbraw/zinc/90/14/50/1131901450.db2.gz UGPRMPCCNCBSFR-WIYYLYMNSA-N 1 2 334.463 3.894 20 30 EHEDLO CCc1cc2c(C[N@H+](CCC#N)CCC(C)C)cc(=O)oc2cc1O ZINC000744405576 1132089539 /nfs/dbraw/zinc/08/95/39/1132089539.db2.gz SRVRXYOSSQEZAL-UHFFFAOYSA-N 1 2 342.439 3.823 20 30 EHEDLO CCc1cc2c(C[N@@H+](CCC#N)CCC(C)C)cc(=O)oc2cc1O ZINC000744405576 1132089548 /nfs/dbraw/zinc/08/95/48/1132089548.db2.gz SRVRXYOSSQEZAL-UHFFFAOYSA-N 1 2 342.439 3.823 20 30 EHEDLO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000767825461 1133058597 /nfs/dbraw/zinc/05/85/97/1133058597.db2.gz VAZLWBRHTKTYSE-UHFFFAOYSA-N 1 2 327.815 3.978 20 30 EHEDLO CN(CC(=O)Nc1ccccc1-c1ccc(C#N)cc1)c1cccc[nH+]1 ZINC001177413844 1133063536 /nfs/dbraw/zinc/06/35/36/1133063536.db2.gz YTGAEIXZSHEEDG-UHFFFAOYSA-N 1 2 342.402 3.695 20 30 EHEDLO C=CCOc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)c1 ZINC000768170147 1133105339 /nfs/dbraw/zinc/10/53/39/1133105339.db2.gz LETQSPPYUMUQCK-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO C=CCOc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)c1 ZINC000768170147 1133105343 /nfs/dbraw/zinc/10/53/43/1133105343.db2.gz LETQSPPYUMUQCK-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO N#Cc1csc(C[NH2+]Cc2cc(Cl)cc(Br)c2)n1 ZINC001178962532 1133216556 /nfs/dbraw/zinc/21/65/56/1133216556.db2.gz JZFVWDMFMDXPCC-UHFFFAOYSA-N 1 2 342.649 3.720 20 30 EHEDLO C#CCOc1ccccc1C[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000769350486 1133268958 /nfs/dbraw/zinc/26/89/58/1133268958.db2.gz HGCKPERBBDEZQR-UHFFFAOYSA-N 1 2 331.419 3.721 20 30 EHEDLO C#CCOc1ccccc1C[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000769350486 1133268961 /nfs/dbraw/zinc/26/89/61/1133268961.db2.gz HGCKPERBBDEZQR-UHFFFAOYSA-N 1 2 331.419 3.721 20 30 EHEDLO Cc1ccc(C)c(N=C2NC(=O)/C(=C\c3cccc4[nH+]ccn43)S2)c1 ZINC000769602791 1133321037 /nfs/dbraw/zinc/32/10/37/1133321037.db2.gz QSDQWPJULZTVNH-LFIBNONCSA-N 1 2 348.431 3.843 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCCC(C)(C)[C@@H]2C#N)CC1 ZINC000769892044 1133364251 /nfs/dbraw/zinc/36/42/51/1133364251.db2.gz GFCQYFHAVGITSL-INIZCTEOSA-N 1 2 335.492 3.648 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCCC(C)(C)[C@@H]2C#N)CC1 ZINC000769892044 1133364252 /nfs/dbraw/zinc/36/42/52/1133364252.db2.gz GFCQYFHAVGITSL-INIZCTEOSA-N 1 2 335.492 3.648 20 30 EHEDLO CC1(C)CCC(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC001180488197 1133376442 /nfs/dbraw/zinc/37/64/42/1133376442.db2.gz DIEMNOPWMAWEPH-HXUWFJFHSA-N 1 2 325.500 3.913 20 30 EHEDLO CC1(C)CCC(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC001180488197 1133376437 /nfs/dbraw/zinc/37/64/37/1133376437.db2.gz DIEMNOPWMAWEPH-HXUWFJFHSA-N 1 2 325.500 3.913 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3nccc4ccccc43)CCO2)c1 ZINC000770391069 1133421228 /nfs/dbraw/zinc/42/12/28/1133421228.db2.gz NPSWUJVNMCNUPM-NRFANRHFSA-N 1 2 329.403 3.680 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3nccc4ccccc43)CCO2)c1 ZINC000770391069 1133421230 /nfs/dbraw/zinc/42/12/30/1133421230.db2.gz NPSWUJVNMCNUPM-NRFANRHFSA-N 1 2 329.403 3.680 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)NCC1(C#N)CCC1)c1ccccc1Cl ZINC001182223396 1133599070 /nfs/dbraw/zinc/59/90/70/1133599070.db2.gz JYBTUKWHJAUWRJ-MRXNPFEDSA-N 1 2 333.863 3.533 20 30 EHEDLO N#Cc1ccc(OC2C[NH+](Cc3ccc(CC(F)(F)F)cc3)C2)cc1 ZINC001182225827 1133599530 /nfs/dbraw/zinc/59/95/30/1133599530.db2.gz FFEDJGJYFKJLJD-UHFFFAOYSA-N 1 2 346.352 3.926 20 30 EHEDLO C=CCCC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)c1ccccc1 ZINC001183850724 1133864332 /nfs/dbraw/zinc/86/43/32/1133864332.db2.gz YOGQDCCHZDKWTD-OALUTQOASA-N 1 2 332.463 3.677 20 30 EHEDLO C=CCCC[C@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)c1ccccc1 ZINC001183850724 1133864338 /nfs/dbraw/zinc/86/43/38/1133864338.db2.gz YOGQDCCHZDKWTD-OALUTQOASA-N 1 2 332.463 3.677 20 30 EHEDLO Cn1c[nH+]c2cc(Nc3nccc(Oc4cccc(C#N)c4)n3)ccc21 ZINC001185534393 1134108491 /nfs/dbraw/zinc/10/84/91/1134108491.db2.gz CLBKXUMPLHRJSR-UHFFFAOYSA-N 1 2 342.362 3.771 20 30 EHEDLO C[C@H](NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2)C1CCCCC1 ZINC001186371020 1134209888 /nfs/dbraw/zinc/20/98/88/1134209888.db2.gz QNOOTLUFMJZHPJ-LBPRGKRZSA-N 1 2 346.500 3.698 20 30 EHEDLO C[C@H](NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2)C1CCCCC1 ZINC001186371020 1134209893 /nfs/dbraw/zinc/20/98/93/1134209893.db2.gz QNOOTLUFMJZHPJ-LBPRGKRZSA-N 1 2 346.500 3.698 20 30 EHEDLO COc1ncc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1Cl ZINC000789155561 1134231019 /nfs/dbraw/zinc/23/10/19/1134231019.db2.gz CBZRQNPNOHLPMX-SNAWJCMRSA-N 1 2 327.771 3.596 20 30 EHEDLO C#C[C@@H](Nc1cc(C)[nH+]c(CC)n1)c1ccc(Br)cc1 ZINC001186571333 1134233187 /nfs/dbraw/zinc/23/31/87/1134233187.db2.gz HPRKVLADJRSXFR-CQSZACIVSA-N 1 2 330.229 3.896 20 30 EHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000793165803 1134858892 /nfs/dbraw/zinc/85/88/92/1134858892.db2.gz CCCPACRNBYNEAC-QZTJIDSGSA-N 1 2 338.455 3.502 20 30 EHEDLO CCc1ccc([C@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)[NH+](C)C)cc1 ZINC000005292382 1134920624 /nfs/dbraw/zinc/92/06/24/1134920624.db2.gz BIUSBWIFKPMUOV-TYJAPOHBSA-N 1 2 341.411 3.585 20 30 EHEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001192305175 1135002493 /nfs/dbraw/zinc/00/24/93/1135002493.db2.gz WIDLAUTYSMSCRK-KBPBESRZSA-N 1 2 337.398 3.644 20 30 EHEDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001192305175 1135002497 /nfs/dbraw/zinc/00/24/97/1135002497.db2.gz WIDLAUTYSMSCRK-KBPBESRZSA-N 1 2 337.398 3.644 20 30 EHEDLO C=CCCCCCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000806003619 1135370203 /nfs/dbraw/zinc/37/02/03/1135370203.db2.gz NZNHTJBBFVDOHR-GOSISDBHSA-N 1 2 344.503 3.606 20 30 EHEDLO CC[C@@](C)(C(=O)OC)[N@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC001195342631 1135414145 /nfs/dbraw/zinc/41/41/45/1135414145.db2.gz RGCDHBHWBORNHV-IBGZPJMESA-N 1 2 333.859 3.745 20 30 EHEDLO CC[C@@](C)(C(=O)OC)[N@@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC001195342631 1135414151 /nfs/dbraw/zinc/41/41/51/1135414151.db2.gz RGCDHBHWBORNHV-IBGZPJMESA-N 1 2 333.859 3.745 20 30 EHEDLO COC(=O)[C@]1([NH2+]CC2CCC(C#N)CC2)CC[C@@H](C)c2ccccc21 ZINC001198731688 1135849469 /nfs/dbraw/zinc/84/94/69/1135849469.db2.gz LSIMYLCEELXURL-DITFZZFKSA-N 1 2 340.467 3.872 20 30 EHEDLO CC(C)(C#N)CCCCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811328871 1136074814 /nfs/dbraw/zinc/07/48/14/1136074814.db2.gz WTILPBOKHJUFFD-UHFFFAOYSA-N 1 2 339.439 3.737 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cc2c(cc1OC)OCO2)c1ccc(Cl)cc1 ZINC000811516894 1136097570 /nfs/dbraw/zinc/09/75/70/1136097570.db2.gz XILVZGIWASNNLS-OAHLLOKOSA-N 1 2 329.783 3.541 20 30 EHEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338939565 1136391702 /nfs/dbraw/zinc/39/17/02/1136391702.db2.gz UJPCPAIJCXGMOF-UHFFFAOYSA-N 1 2 339.395 3.830 20 30 EHEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338939565 1136391706 /nfs/dbraw/zinc/39/17/06/1136391706.db2.gz UJPCPAIJCXGMOF-UHFFFAOYSA-N 1 2 339.395 3.830 20 30 EHEDLO OC1CCN(c2ccc(C=[NH+]Nc3cc(F)c(F)cc3F)cc2)CC1 ZINC000853308663 1136525189 /nfs/dbraw/zinc/52/51/89/1136525189.db2.gz RIYFUUZWEPECOS-UHFFFAOYSA-N 1 2 349.356 3.511 20 30 EHEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccc(F)c(F)c2F)CCO1 ZINC000814945089 1136529332 /nfs/dbraw/zinc/52/93/32/1136529332.db2.gz KHAQEHIXIQLCSP-LBPRGKRZSA-N 1 2 349.356 3.775 20 30 EHEDLO CC(C)C[N@H+](CCC#N)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815052316 1136540478 /nfs/dbraw/zinc/54/04/78/1136540478.db2.gz KTEBIHCEEIEXOO-UHFFFAOYSA-N 1 2 329.322 3.985 20 30 EHEDLO CC(C)C[N@@H+](CCC#N)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815052316 1136540482 /nfs/dbraw/zinc/54/04/82/1136540482.db2.gz KTEBIHCEEIEXOO-UHFFFAOYSA-N 1 2 329.322 3.985 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000853666715 1136553661 /nfs/dbraw/zinc/55/36/61/1136553661.db2.gz RAYBPIXAWPSLQM-IEBWSBKVSA-N 1 2 337.423 3.601 20 30 EHEDLO CCCCCCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000858110197 1136940975 /nfs/dbraw/zinc/94/09/75/1136940975.db2.gz MKKQGCMUHMXFAK-UHFFFAOYSA-N 1 2 328.460 3.701 20 30 EHEDLO CC(C)n1c[nH+]cc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000819801277 1136963098 /nfs/dbraw/zinc/96/30/98/1136963098.db2.gz GTJHDNCOZOBZID-UHFFFAOYSA-N 1 2 341.293 3.837 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccccc1Cn1cccn1 ZINC000820611111 1136998429 /nfs/dbraw/zinc/99/84/29/1136998429.db2.gz TVBVIVDEWMQCLP-UHFFFAOYSA-N 1 2 346.434 3.731 20 30 EHEDLO CC[NH+](CC)Cc1csc(NC(=O)CC2(C#N)CCCCC2)n1 ZINC000823224362 1137091344 /nfs/dbraw/zinc/09/13/44/1137091344.db2.gz KKGYFCXMLKWTAP-UHFFFAOYSA-N 1 2 334.489 3.788 20 30 EHEDLO Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(N(C)C)[nH+]1 ZINC000824247402 1137130264 /nfs/dbraw/zinc/13/02/64/1137130264.db2.gz QCPRRCHQWNVWBH-AWEZNQCLSA-N 1 2 337.427 3.553 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC001136931812 1137150389 /nfs/dbraw/zinc/15/03/89/1137150389.db2.gz WPEKGBIBXKVNNK-QGZVFWFLSA-N 1 2 327.815 3.650 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC001136931812 1137150391 /nfs/dbraw/zinc/15/03/91/1137150391.db2.gz WPEKGBIBXKVNNK-QGZVFWFLSA-N 1 2 327.815 3.650 20 30 EHEDLO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC001136931561 1137150395 /nfs/dbraw/zinc/15/03/95/1137150395.db2.gz HIQUKKLBHPUWDL-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO C=CC[C@@](C)([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1)C(=O)OC ZINC001171074504 1137167317 /nfs/dbraw/zinc/16/73/17/1137167317.db2.gz RTFAENZNVZDIMO-SUMWQHHRSA-N 1 2 342.266 3.948 20 30 EHEDLO N#Cc1ccccc1OC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC001136996411 1137168373 /nfs/dbraw/zinc/16/83/73/1137168373.db2.gz HCXNWOBBZTWYKY-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO COc1ncc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc1C ZINC001137010609 1137171051 /nfs/dbraw/zinc/17/10/51/1137171051.db2.gz XQPBYRKXPBHUEY-UHFFFAOYSA-N 1 2 339.414 3.595 20 30 EHEDLO Cc1cccc(N2CCC[N@H+](Cc3c(Cl)cccc3C#N)CC2)n1 ZINC001143731130 1137194515 /nfs/dbraw/zinc/19/45/15/1137194515.db2.gz MCPZRDNWNQBGER-UHFFFAOYSA-N 1 2 340.858 3.627 20 30 EHEDLO Cc1cccc(N2CCC[N@@H+](Cc3c(Cl)cccc3C#N)CC2)n1 ZINC001143731130 1137194516 /nfs/dbraw/zinc/19/45/16/1137194516.db2.gz MCPZRDNWNQBGER-UHFFFAOYSA-N 1 2 340.858 3.627 20 30 EHEDLO CCc1nc(C2CC[NH+](Cc3c(Cl)cccc3C#N)CC2)no1 ZINC001143730962 1137194567 /nfs/dbraw/zinc/19/45/67/1137194567.db2.gz IMHXZDJNMCTNAT-UHFFFAOYSA-N 1 2 330.819 3.537 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(OC(F)F)cc2)s1 ZINC000794689774 1137235643 /nfs/dbraw/zinc/23/56/43/1137235643.db2.gz DTJAYJYIXRAJIL-FPLPWBNLSA-N 1 2 338.379 3.702 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2\CSc3ccc(F)cc3C2=O)s1 ZINC000794700008 1137235898 /nfs/dbraw/zinc/23/58/98/1137235898.db2.gz VGQIEFFTQYMKHY-BJMVGYQFSA-N 1 2 334.441 3.716 20 30 EHEDLO CSc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1F ZINC000794703991 1137240293 /nfs/dbraw/zinc/24/02/93/1137240293.db2.gz XWHUFEYQJOQWBC-ALCCZGGFSA-N 1 2 336.457 3.962 20 30 EHEDLO N#CCC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CCCC1 ZINC001144351968 1137277476 /nfs/dbraw/zinc/27/74/76/1137277476.db2.gz QZIPLCUTDIFYLA-UHFFFAOYSA-N 1 2 327.350 3.681 20 30 EHEDLO N#CCC[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CCCC1 ZINC001144351968 1137277477 /nfs/dbraw/zinc/27/74/77/1137277477.db2.gz QZIPLCUTDIFYLA-UHFFFAOYSA-N 1 2 327.350 3.681 20 30 EHEDLO [NH2+]=C(Nc1cc([N+](=O)[O-])cc2cc[nH]c21)c1ccc2cc(O)ccc2c1 ZINC001171184303 1137293806 /nfs/dbraw/zinc/29/38/06/1137293806.db2.gz JRVWIQAZUQFARQ-UHFFFAOYSA-N 1 2 346.346 3.972 20 30 EHEDLO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866263044 1137340301 /nfs/dbraw/zinc/34/03/01/1137340301.db2.gz LEMROTCOBFEAAE-ZIAGYGMSSA-N 1 2 340.423 3.563 20 30 EHEDLO CCOc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)ccc1OC ZINC000866266243 1137340873 /nfs/dbraw/zinc/34/08/73/1137340873.db2.gz DNIZTKZIZWXXKS-CYBMUJFWSA-N 1 2 326.396 3.522 20 30 EHEDLO COC(=O)CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866295019 1137343402 /nfs/dbraw/zinc/34/34/02/1137343402.db2.gz QKUFADOKVMDBMX-KDOFPFPSSA-N 1 2 338.407 3.609 20 30 EHEDLO COCCCOc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866308371 1137344214 /nfs/dbraw/zinc/34/42/14/1137344214.db2.gz BMQTYJAWVCREBB-OAHLLOKOSA-N 1 2 340.423 3.530 20 30 EHEDLO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866312276 1137344475 /nfs/dbraw/zinc/34/44/75/1137344475.db2.gz RVVSISUPYIBNHJ-LAPQFRIASA-N 1 2 340.423 3.699 20 30 EHEDLO C[C@H](O)[C@](C)(C[NH2+][C@@H](C)c1cccc(C#N)c1O)Cc1ccccc1 ZINC000866345700 1137347854 /nfs/dbraw/zinc/34/78/54/1137347854.db2.gz BOCXYWRVPSTUMZ-QYWGDWMGSA-N 1 2 338.451 3.544 20 30 EHEDLO C=CCC[C@H]([NH2+]c1ccc(N2CCN(C(C)=O)CC2)cc1)C1CC1 ZINC000866627707 1137371122 /nfs/dbraw/zinc/37/11/22/1137371122.db2.gz ZTPGCVFELRLTIY-FQEVSTJZSA-N 1 2 327.472 3.512 20 30 EHEDLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001144977125 1137377126 /nfs/dbraw/zinc/37/71/26/1137377126.db2.gz BJMVLAQLLORILH-UHFFFAOYSA-N 1 2 332.363 3.563 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000847028880 1137383433 /nfs/dbraw/zinc/38/34/33/1137383433.db2.gz IYYMJDVXAXQGHR-JKSUJKDBSA-N 1 2 345.512 3.543 20 30 EHEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000847028880 1137383435 /nfs/dbraw/zinc/38/34/35/1137383435.db2.gz IYYMJDVXAXQGHR-JKSUJKDBSA-N 1 2 345.512 3.543 20 30 EHEDLO C=CC[N@@H+](CN1CCN(c2ccccc2C(F)(F)F)C1=O)C1CC1 ZINC000773321931 1137489329 /nfs/dbraw/zinc/48/93/29/1137489329.db2.gz NTJGPHLOZVLLRH-UHFFFAOYSA-N 1 2 339.361 3.555 20 30 EHEDLO C=CC[N@H+](CN1CCN(c2ccccc2C(F)(F)F)C1=O)C1CC1 ZINC000773321931 1137489330 /nfs/dbraw/zinc/48/93/30/1137489330.db2.gz NTJGPHLOZVLLRH-UHFFFAOYSA-N 1 2 339.361 3.555 20 30 EHEDLO C#CC[C@H]1CCC[N@@H+](Cc2occ(C(F)(F)F)c2C(=O)OCC)C1 ZINC001171488966 1137491415 /nfs/dbraw/zinc/49/14/15/1137491415.db2.gz BFPICVNWFDZDIW-LBPRGKRZSA-N 1 2 343.345 3.710 20 30 EHEDLO C#CC[C@H]1CCC[N@H+](Cc2occ(C(F)(F)F)c2C(=O)OCC)C1 ZINC001171488966 1137491416 /nfs/dbraw/zinc/49/14/16/1137491416.db2.gz BFPICVNWFDZDIW-LBPRGKRZSA-N 1 2 343.345 3.710 20 30 EHEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C2(CCC2)CO1 ZINC001171730148 1137506762 /nfs/dbraw/zinc/50/67/62/1137506762.db2.gz RRAGCGCJXXCLMH-CQSZACIVSA-N 1 2 339.357 3.580 20 30 EHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C2(CCC2)CO1 ZINC001171730148 1137506763 /nfs/dbraw/zinc/50/67/63/1137506763.db2.gz RRAGCGCJXXCLMH-CQSZACIVSA-N 1 2 339.357 3.580 20 30 EHEDLO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821393 1137511733 /nfs/dbraw/zinc/51/17/33/1137511733.db2.gz RIJSDEWGDNGJPJ-VVLHAWIVSA-N 1 2 335.492 3.931 20 30 EHEDLO CC[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821393 1137511734 /nfs/dbraw/zinc/51/17/34/1137511734.db2.gz RIJSDEWGDNGJPJ-VVLHAWIVSA-N 1 2 335.492 3.931 20 30 EHEDLO CCC(C#N)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172086453 1137532004 /nfs/dbraw/zinc/53/20/04/1137532004.db2.gz BWGZKRPQVPKJHC-PHZGNYQRSA-N 1 2 335.492 3.979 20 30 EHEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)cnc2Cl)cc1 ZINC000876511403 1137654354 /nfs/dbraw/zinc/65/43/54/1137654354.db2.gz HNEFPSUVADNBIM-KRWDZBQOSA-N 1 2 327.815 3.952 20 30 EHEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)cnc2Cl)cc1 ZINC000876511403 1137654355 /nfs/dbraw/zinc/65/43/55/1137654355.db2.gz HNEFPSUVADNBIM-KRWDZBQOSA-N 1 2 327.815 3.952 20 30 EHEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2N(C)C)cs1 ZINC000877408555 1137675715 /nfs/dbraw/zinc/67/57/15/1137675715.db2.gz OPVCYZNAHZGANO-GOSISDBHSA-N 1 2 326.469 3.726 20 30 EHEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2N(C)C)cs1 ZINC000877408555 1137675716 /nfs/dbraw/zinc/67/57/16/1137675716.db2.gz OPVCYZNAHZGANO-GOSISDBHSA-N 1 2 326.469 3.726 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1 ZINC000877513236 1137679236 /nfs/dbraw/zinc/67/92/36/1137679236.db2.gz OWPFOHGNEGJGKB-UHFFFAOYSA-N 1 2 344.821 3.636 20 30 EHEDLO C#Cc1cccc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000878117336 1137703198 /nfs/dbraw/zinc/70/31/98/1137703198.db2.gz XJGGVMKVBWZHCE-QAQDUYKDSA-N 1 2 334.423 3.608 20 30 EHEDLO COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CCCC(C)(C)C#N ZINC000879399493 1137746632 /nfs/dbraw/zinc/74/66/32/1137746632.db2.gz KSJMOLXVULLSKQ-GOSISDBHSA-N 1 2 336.863 3.734 20 30 EHEDLO COc1cc(C)[nH+]c(CN[C@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC000879783406 1137758645 /nfs/dbraw/zinc/75/86/45/1137758645.db2.gz ODBMCIUTPKZERH-MRXNPFEDSA-N 1 2 335.329 3.664 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000880061969 1137766939 /nfs/dbraw/zinc/76/69/39/1137766939.db2.gz FOVOACLQOTXYDC-QMTHXVAHSA-N 1 2 332.753 3.753 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H](C(F)(F)F)O1 ZINC000880061969 1137766940 /nfs/dbraw/zinc/76/69/40/1137766940.db2.gz FOVOACLQOTXYDC-QMTHXVAHSA-N 1 2 332.753 3.753 20 30 EHEDLO COC(=O)[C@](C)(Cc1ccc(F)cc1)[NH2+]CCCCC(C)(C)C#N ZINC000880390091 1137777618 /nfs/dbraw/zinc/77/76/18/1137777618.db2.gz PVPZOEUPVWLBAR-IBGZPJMESA-N 1 2 334.435 3.610 20 30 EHEDLO COC(=O)[C@@](C)(Cc1ccc(F)cc1)[NH2+]CCCCC(C)(C)C#N ZINC000880390094 1137777632 /nfs/dbraw/zinc/77/76/32/1137777632.db2.gz PVPZOEUPVWLBAR-LJQANCHMSA-N 1 2 334.435 3.610 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105004881 1137879946 /nfs/dbraw/zinc/87/99/46/1137879946.db2.gz JWVVPONVDDTIEC-CALCHBBNSA-N 1 2 345.487 3.726 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105004881 1137879947 /nfs/dbraw/zinc/87/99/47/1137879947.db2.gz JWVVPONVDDTIEC-CALCHBBNSA-N 1 2 345.487 3.726 20 30 EHEDLO C[C@@H](c1ccccn1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348319446 1137949301 /nfs/dbraw/zinc/94/93/01/1137949301.db2.gz MJROSXAZXSXXCP-HNAYVOBHSA-N 1 2 340.858 3.678 20 30 EHEDLO CCOc1ccc(/C=[NH+]/CC[C@@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000887271000 1138252347 /nfs/dbraw/zinc/25/23/47/1138252347.db2.gz XZGCWWGVFYQMSG-JPOGYNCRSA-N 1 2 347.455 3.576 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)ccn12 ZINC000887632215 1138579958 /nfs/dbraw/zinc/57/99/58/1138579958.db2.gz GQINHIBAHJRGRZ-UHFFFAOYSA-N 1 2 336.420 3.707 20 30 EHEDLO N#CCc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000338112551 1138754608 /nfs/dbraw/zinc/75/46/08/1138754608.db2.gz NCUWACHLUXBAFA-UHFFFAOYSA-N 1 2 336.782 3.844 20 30 EHEDLO C=CCCC(C)(C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890243284 1139329188 /nfs/dbraw/zinc/32/91/88/1139329188.db2.gz HCXFWEJLWONSRR-QGZVFWFLSA-N 1 2 326.444 3.668 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)c(C#N)c1C ZINC000177280665 1139609705 /nfs/dbraw/zinc/60/97/05/1139609705.db2.gz TWCBGJFNSIMGMA-GFCCVEGCSA-N 1 2 343.452 3.574 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)c(C#N)c1C ZINC000177280665 1139609711 /nfs/dbraw/zinc/60/97/11/1139609711.db2.gz TWCBGJFNSIMGMA-GFCCVEGCSA-N 1 2 343.452 3.574 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1c1ccccc1 ZINC000177831512 1139644436 /nfs/dbraw/zinc/64/44/36/1139644436.db2.gz LYEDHUCZTPWYMQ-KUHUBIRLSA-N 1 2 330.391 3.801 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1c1ccccc1 ZINC000177831512 1139644437 /nfs/dbraw/zinc/64/44/37/1139644437.db2.gz LYEDHUCZTPWYMQ-KUHUBIRLSA-N 1 2 330.391 3.801 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)Cc3ccccc3CC#N)c2)[nH+]c1C ZINC000777365212 1139868624 /nfs/dbraw/zinc/86/86/24/1139868624.db2.gz OTZVUDGZOGVOSY-UHFFFAOYSA-N 1 2 344.418 3.941 20 30 EHEDLO CC[C@H](CC#N)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000184082374 1140078358 /nfs/dbraw/zinc/07/83/58/1140078358.db2.gz HIFAUPXVTGUIJL-OAHLLOKOSA-N 1 2 347.260 3.725 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C1CC1 ZINC000271345462 1141349145 /nfs/dbraw/zinc/34/91/45/1141349145.db2.gz COARAXOETVHKSR-UHFFFAOYSA-N 1 2 330.453 3.978 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccc(OC)cc2OC)n1)C1CC1 ZINC000271345462 1141349152 /nfs/dbraw/zinc/34/91/52/1141349152.db2.gz COARAXOETVHKSR-UHFFFAOYSA-N 1 2 330.453 3.978 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(Br)o1)Cc1ccc(CO)o1 ZINC000348632519 1141557624 /nfs/dbraw/zinc/55/76/24/1141557624.db2.gz IHPBOGGLVPVRAV-UHFFFAOYSA-N 1 2 340.217 3.706 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(CO)o1 ZINC000348632519 1141557627 /nfs/dbraw/zinc/55/76/27/1141557627.db2.gz IHPBOGGLVPVRAV-UHFFFAOYSA-N 1 2 340.217 3.706 20 30 EHEDLO C=C1CCC(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC1 ZINC000904497543 1032093657 /nfs/dbraw/zinc/09/36/57/1032093657.db2.gz FRIOQKDDATYXPE-UHFFFAOYSA-N 1 2 339.439 3.783 20 30 EHEDLO C=CCC[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339550055 1014818574 /nfs/dbraw/zinc/81/85/74/1014818574.db2.gz XTIHPQJQQZHNNV-ROUUACIJSA-N 1 2 338.455 3.627 20 30 EHEDLO Cc1cccn2c(/C=C3\COc4c(F)cc(F)cc4C3=O)c[nH+]c12 ZINC000255048893 1016201477 /nfs/dbraw/zinc/20/14/77/1016201477.db2.gz AODJFLRMEHAWQJ-VZUCSPMQSA-N 1 2 326.302 3.580 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000181439133 1016662235 /nfs/dbraw/zinc/66/22/35/1016662235.db2.gz QRZMVNCPNRHZSO-CQSZACIVSA-N 1 2 337.398 3.675 20 30 EHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528571589 1032474870 /nfs/dbraw/zinc/47/48/70/1032474870.db2.gz LNPLQLFMIVAGJR-UHFFFAOYSA-N 1 2 328.362 3.880 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000162210181 1032480887 /nfs/dbraw/zinc/48/08/87/1032480887.db2.gz KLZQNDDNOYRUPN-LSDHHAIUSA-N 1 2 343.500 3.740 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000162210181 1032480894 /nfs/dbraw/zinc/48/08/94/1032480894.db2.gz KLZQNDDNOYRUPN-LSDHHAIUSA-N 1 2 343.500 3.740 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276246 1017300731 /nfs/dbraw/zinc/30/07/31/1017300731.db2.gz FUSWLMZVAJFWML-INIZCTEOSA-N 1 2 335.386 3.592 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2sc(C)nc2C)c1C#N ZINC000535964904 1017169857 /nfs/dbraw/zinc/16/98/57/1017169857.db2.gz ULZXQBIQWVFUMQ-GFCCVEGCSA-N 1 2 343.452 3.611 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)c1C#N ZINC000535964904 1017169864 /nfs/dbraw/zinc/16/98/64/1017169864.db2.gz ULZXQBIQWVFUMQ-GFCCVEGCSA-N 1 2 343.452 3.611 20 30 EHEDLO C=CCCn1cc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nn1 ZINC000655675210 1017375864 /nfs/dbraw/zinc/37/58/64/1017375864.db2.gz NSAIOQOUTAIYOZ-UHFFFAOYSA-N 1 2 349.438 3.633 20 30 EHEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cccc(Br)c1C#N)CCC2 ZINC000377974972 1018625101 /nfs/dbraw/zinc/62/51/01/1018625101.db2.gz UFPXGPAVWSYTAW-GFCCVEGCSA-N 1 2 345.244 3.815 20 30 EHEDLO Cc1c(Cl)c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)nn1C ZINC000897589263 1032858801 /nfs/dbraw/zinc/85/88/01/1032858801.db2.gz VKEVSVCNGBCEKT-UHFFFAOYSA-N 1 2 328.847 3.633 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000255290686 1020705641 /nfs/dbraw/zinc/70/56/41/1020705641.db2.gz UKOPGUYTSPTTMC-YNGKYYQNSA-N 1 2 339.395 3.556 20 30 EHEDLO C=CC[S@](=O)(=NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC000891383010 1020824030 /nfs/dbraw/zinc/82/40/30/1020824030.db2.gz VHGVQCBLPFPVPA-BXKMTCNYSA-N 1 2 345.468 3.710 20 30 EHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000581832318 1021842305 /nfs/dbraw/zinc/84/23/05/1021842305.db2.gz FNQXZMJBIREECO-UHFFFAOYSA-N 1 2 349.434 3.939 20 30 EHEDLO C=CC[C@H](CC)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000341435272 1021887027 /nfs/dbraw/zinc/88/70/27/1021887027.db2.gz REMNDIOILVGVIO-UHOSZYNNSA-N 1 2 338.455 3.766 20 30 EHEDLO CC[N@H+](Cc1nc(Br)c[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657423 1022243516 /nfs/dbraw/zinc/24/35/16/1022243516.db2.gz UXVSYGPPGSNJME-NSHDSACASA-N 1 2 333.233 3.627 20 30 EHEDLO CC[N@@H+](Cc1nc(Br)c[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657423 1022243526 /nfs/dbraw/zinc/24/35/26/1022243526.db2.gz UXVSYGPPGSNJME-NSHDSACASA-N 1 2 333.233 3.627 20 30 EHEDLO Cc1cc([C@H](C)NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C)s1 ZINC000328886299 1022527205 /nfs/dbraw/zinc/52/72/05/1022527205.db2.gz ZOZJLTCYCYENSJ-JSGCOSHPSA-N 1 2 332.473 3.563 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000330868232 1022688101 /nfs/dbraw/zinc/68/81/01/1022688101.db2.gz YKKWAKVMFZAXNQ-KWBADKCTSA-N 1 2 326.227 3.602 20 30 EHEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC000506355052 1022982052 /nfs/dbraw/zinc/98/20/52/1022982052.db2.gz HBYMGFABWWLCCO-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000426162861 1023023058 /nfs/dbraw/zinc/02/30/58/1023023058.db2.gz QRYRIMANKFEBMJ-WBMJQRKESA-N 1 2 343.818 3.523 20 30 EHEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507275276 1023219897 /nfs/dbraw/zinc/21/98/97/1023219897.db2.gz BBYMRRJDYNNKNY-CQSZACIVSA-N 1 2 327.378 3.720 20 30 EHEDLO CC[C@H](CC#N)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439046593 1023240142 /nfs/dbraw/zinc/24/01/42/1023240142.db2.gz LNJREEGBTOKOJB-CQSZACIVSA-N 1 2 337.427 3.700 20 30 EHEDLO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348705771 1023317511 /nfs/dbraw/zinc/31/75/11/1023317511.db2.gz GQMYBGKCAAMPOK-UHFFFAOYSA-N 1 2 332.810 3.662 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@H]32)c1C#N ZINC000610762811 1023473072 /nfs/dbraw/zinc/47/30/72/1023473072.db2.gz ZABZNKOCHFSHGB-QAPCUYQASA-N 1 2 340.471 3.515 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H]32)c1C#N ZINC000610762811 1023473075 /nfs/dbraw/zinc/47/30/75/1023473075.db2.gz ZABZNKOCHFSHGB-QAPCUYQASA-N 1 2 340.471 3.515 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000342002326 1023751280 /nfs/dbraw/zinc/75/12/80/1023751280.db2.gz XOXLMUNKKQLLFM-UHFFFAOYSA-N 1 2 333.482 3.624 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)Cc1cccc(C#N)c1 ZINC000063300703 1033180885 /nfs/dbraw/zinc/18/08/85/1033180885.db2.gz PPNOSWOQGMOGIZ-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)cc(C)c1)Cc1cccc(C#N)c1 ZINC000063300703 1033180903 /nfs/dbraw/zinc/18/09/03/1033180903.db2.gz PPNOSWOQGMOGIZ-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329776864 1024190552 /nfs/dbraw/zinc/19/05/52/1024190552.db2.gz KFAWPAAXECTHJZ-JCGIZDLHSA-N 1 2 346.471 3.870 20 30 EHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329776864 1024190559 /nfs/dbraw/zinc/19/05/59/1024190559.db2.gz KFAWPAAXECTHJZ-JCGIZDLHSA-N 1 2 346.471 3.870 20 30 EHEDLO O=C1C=COC2(CCN(c3cc[nH+]c4cc(F)c(Cl)cc43)CC2)C1 ZINC000896882895 1024276224 /nfs/dbraw/zinc/27/62/24/1024276224.db2.gz WRWJUVNNQBCAES-UHFFFAOYSA-N 1 2 346.789 3.869 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2F)C(C)C)c(C#N)c1C ZINC000434760049 1024407156 /nfs/dbraw/zinc/40/71/56/1024407156.db2.gz QIUAEVIMDONPHU-UHFFFAOYSA-N 1 2 343.402 3.756 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2F)C(C)C)c(C#N)c1C ZINC000434760049 1024407164 /nfs/dbraw/zinc/40/71/64/1024407164.db2.gz QIUAEVIMDONPHU-UHFFFAOYSA-N 1 2 343.402 3.756 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000346273917 1024563858 /nfs/dbraw/zinc/56/38/58/1024563858.db2.gz IZFJCXUESWKGQE-CYBMUJFWSA-N 1 2 345.424 3.672 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000346273917 1024563864 /nfs/dbraw/zinc/56/38/64/1024563864.db2.gz IZFJCXUESWKGQE-CYBMUJFWSA-N 1 2 345.424 3.672 20 30 EHEDLO CC[N@H+](Cc1cccnc1)Cc1ccc(Br)cc1C#N ZINC001141814502 1024578489 /nfs/dbraw/zinc/57/84/89/1024578489.db2.gz HVYSCDZNVSFDRS-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC[N@@H+](Cc1cccnc1)Cc1ccc(Br)cc1C#N ZINC001141814502 1024578495 /nfs/dbraw/zinc/57/84/95/1024578495.db2.gz HVYSCDZNVSFDRS-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CCC(C)(C)N(CCC#N)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000281065832 1024613337 /nfs/dbraw/zinc/61/33/37/1024613337.db2.gz QHCVPKUZRNQZMN-UHFFFAOYSA-N 1 2 348.397 3.554 20 30 EHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000439449878 1024804676 /nfs/dbraw/zinc/80/46/76/1024804676.db2.gz WABVJVQUTNXQJX-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000895837096 1024904773 /nfs/dbraw/zinc/90/47/73/1024904773.db2.gz RFQWMMUTMYLPSG-LBPRGKRZSA-N 1 2 345.258 3.591 20 30 EHEDLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000895837096 1024904778 /nfs/dbraw/zinc/90/47/78/1024904778.db2.gz RFQWMMUTMYLPSG-LBPRGKRZSA-N 1 2 345.258 3.591 20 30 EHEDLO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cc(F)ccc1F ZINC000539359379 1025118743 /nfs/dbraw/zinc/11/87/43/1025118743.db2.gz AHBOPIIYEGRTLM-SFHVURJKSA-N 1 2 344.361 3.864 20 30 EHEDLO Cc1cn2cc(NC(=O)CCCCOc3cccc(C#N)c3)ccc2[nH+]1 ZINC000346834100 1025223338 /nfs/dbraw/zinc/22/33/38/1025223338.db2.gz KOTNLLOYLUIQIV-UHFFFAOYSA-N 1 2 348.406 3.702 20 30 EHEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)n1 ZINC000346845679 1025235262 /nfs/dbraw/zinc/23/52/62/1025235262.db2.gz ZTXDYTZMYYYJCE-OAHLLOKOSA-N 1 2 340.858 3.798 20 30 EHEDLO COCCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000892200988 1025408272 /nfs/dbraw/zinc/40/82/72/1025408272.db2.gz JCSBCXRJDBVZJA-MOPGFXCFSA-N 1 2 340.423 3.577 20 30 EHEDLO COCCOc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000892200988 1025408277 /nfs/dbraw/zinc/40/82/77/1025408277.db2.gz JCSBCXRJDBVZJA-MOPGFXCFSA-N 1 2 340.423 3.577 20 30 EHEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)ccc1C#N ZINC000442883671 1025564890 /nfs/dbraw/zinc/56/48/90/1025564890.db2.gz IAVPTJKKIUIWJE-HXUWFJFHSA-N 1 2 340.398 3.588 20 30 EHEDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)ccc1C#N ZINC000442883671 1025564901 /nfs/dbraw/zinc/56/49/01/1025564901.db2.gz IAVPTJKKIUIWJE-HXUWFJFHSA-N 1 2 340.398 3.588 20 30 EHEDLO CCS(=O)(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425532275 1025658495 /nfs/dbraw/zinc/65/84/95/1025658495.db2.gz IZPPQPZXAFKTEQ-HNNXBMFYSA-N 1 2 342.464 3.545 20 30 EHEDLO CCS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425532275 1025658504 /nfs/dbraw/zinc/65/85/04/1025658504.db2.gz IZPPQPZXAFKTEQ-HNNXBMFYSA-N 1 2 342.464 3.545 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCO[C@@H](C)C3)n2)CC1 ZINC000329275994 1025714400 /nfs/dbraw/zinc/71/44/00/1025714400.db2.gz KYTGYBSMJHUJJA-KBPBESRZSA-N 1 2 337.489 3.778 20 30 EHEDLO CC[N@H+](Cc1ccncc1)Cc1ccc(Br)cc1C#N ZINC000287750692 1026002624 /nfs/dbraw/zinc/00/26/24/1026002624.db2.gz LQRCPBSBBAXNKX-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC[N@@H+](Cc1ccncc1)Cc1ccc(Br)cc1C#N ZINC000287750692 1026002641 /nfs/dbraw/zinc/00/26/41/1026002641.db2.gz LQRCPBSBBAXNKX-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000436694616 1026052850 /nfs/dbraw/zinc/05/28/50/1026052850.db2.gz BGZSLLGRVFXMAY-HNNXBMFYSA-N 1 2 327.453 3.818 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127797635 1026503833 /nfs/dbraw/zinc/50/38/33/1026503833.db2.gz COSZHOSRMPEIDJ-LBPRGKRZSA-N 1 2 345.805 3.810 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127797635 1026503838 /nfs/dbraw/zinc/50/38/38/1026503838.db2.gz COSZHOSRMPEIDJ-LBPRGKRZSA-N 1 2 345.805 3.810 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127982227 1026756771 /nfs/dbraw/zinc/75/67/71/1026756771.db2.gz UPLRMCAMEHWBEI-GOSISDBHSA-N 1 2 344.361 3.733 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000127982227 1026756785 /nfs/dbraw/zinc/75/67/85/1026756785.db2.gz UPLRMCAMEHWBEI-GOSISDBHSA-N 1 2 344.361 3.733 20 30 EHEDLO N#Cc1cccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000531386380 1026875713 /nfs/dbraw/zinc/87/57/13/1026875713.db2.gz RCPPWSXIVREFNC-UHFFFAOYSA-N 1 2 336.782 3.579 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(CNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000301905892 1026989092 /nfs/dbraw/zinc/98/90/92/1026989092.db2.gz QJHCKZWEPCIDSD-CQSZACIVSA-N 1 2 333.395 3.505 20 30 EHEDLO N#Cc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000421220178 1028206721 /nfs/dbraw/zinc/20/67/21/1028206721.db2.gz WMKILNSUWVQYOQ-UHFFFAOYSA-N 1 2 342.826 3.623 20 30 EHEDLO Cc1c(Cl)c(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)nn1C ZINC000421331909 1028300802 /nfs/dbraw/zinc/30/08/02/1028300802.db2.gz UJEPAOHHFMOZCO-UHFFFAOYSA-N 1 2 330.863 3.912 20 30 EHEDLO Cc1c(Cl)c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)nn1C ZINC000421331909 1028300820 /nfs/dbraw/zinc/30/08/20/1028300820.db2.gz UJEPAOHHFMOZCO-UHFFFAOYSA-N 1 2 330.863 3.912 20 30 EHEDLO C[C@@H](C#N)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000068886806 1028412560 /nfs/dbraw/zinc/41/25/60/1028412560.db2.gz YTGWPZUJDULJNV-QWRGUYRKSA-N 1 2 335.864 3.547 20 30 EHEDLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c[nH+]1 ZINC000455564922 1028483122 /nfs/dbraw/zinc/48/31/22/1028483122.db2.gz VXXQNEYUIKNYPD-WOJBJXKFSA-N 1 2 348.450 3.680 20 30 EHEDLO CCCCCCCOc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)cc1 ZINC001279235158 1028761018 /nfs/dbraw/zinc/76/10/18/1028761018.db2.gz MUNDXSDMWYHYNE-OYRHEFFESA-N 1 2 346.515 3.551 20 30 EHEDLO CCCCCCCOc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@@H](C2)O3)cc1 ZINC001279235158 1028761035 /nfs/dbraw/zinc/76/10/35/1028761035.db2.gz MUNDXSDMWYHYNE-OYRHEFFESA-N 1 2 346.515 3.551 20 30 EHEDLO CCN(CCC#N)C(=O)C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000077330304 1029104005 /nfs/dbraw/zinc/10/40/05/1029104005.db2.gz UZUSULFSIIZMSD-AWEZNQCLSA-N 1 2 333.863 3.628 20 30 EHEDLO CCN(CCC#N)C(=O)C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000077330304 1029104011 /nfs/dbraw/zinc/10/40/11/1029104011.db2.gz UZUSULFSIIZMSD-AWEZNQCLSA-N 1 2 333.863 3.628 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272592668 1029525665 /nfs/dbraw/zinc/52/56/65/1029525665.db2.gz PQEWALGFWBBPJT-LLVKDONJSA-N 1 2 340.254 3.946 20 30 EHEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)c(F)c1 ZINC000192111177 1029584953 /nfs/dbraw/zinc/58/49/53/1029584953.db2.gz WCWDCZZASKHWKE-UHFFFAOYSA-N 1 2 339.414 3.775 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)c(F)c1 ZINC000192111177 1029584962 /nfs/dbraw/zinc/58/49/62/1029584962.db2.gz WCWDCZZASKHWKE-UHFFFAOYSA-N 1 2 339.414 3.775 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289716660 1029851043 /nfs/dbraw/zinc/85/10/43/1029851043.db2.gz IEECRNYLHGLSMP-GHMZBOCLSA-N 1 2 341.789 3.516 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289716660 1029851050 /nfs/dbraw/zinc/85/10/50/1029851050.db2.gz IEECRNYLHGLSMP-GHMZBOCLSA-N 1 2 341.789 3.516 20 30 EHEDLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)c(C)c1 ZINC000446969451 1029875311 /nfs/dbraw/zinc/87/53/11/1029875311.db2.gz LAVPWYFJMAFCRU-UHFFFAOYSA-N 1 2 348.450 3.677 20 30 EHEDLO CC[N@H+](Cc1nccn1CC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000171379111 1030399441 /nfs/dbraw/zinc/39/94/41/1030399441.db2.gz FHHHSITZWWXRAA-CYBMUJFWSA-N 1 2 336.361 3.900 20 30 EHEDLO CC[N@@H+](Cc1nccn1CC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000171379111 1030399468 /nfs/dbraw/zinc/39/94/68/1030399468.db2.gz FHHHSITZWWXRAA-CYBMUJFWSA-N 1 2 336.361 3.900 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(CNc2cc(CC#N)cc[nH+]2)o1 ZINC000527112541 1030660288 /nfs/dbraw/zinc/66/02/88/1030660288.db2.gz ZWBDTZNZPLLWGL-UHFFFAOYSA-N 1 2 347.374 3.806 20 30 EHEDLO CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)CC3CCCC3)CC2)o1 ZINC000329423149 1030693681 /nfs/dbraw/zinc/69/36/81/1030693681.db2.gz FTVKBXYPPFPXMR-CYBMUJFWSA-N 1 2 334.464 3.694 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000482915182 1030808161 /nfs/dbraw/zinc/80/81/61/1030808161.db2.gz DITSMIDUNHXWKC-IBGZPJMESA-N 1 2 337.398 3.863 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000482915182 1030808180 /nfs/dbraw/zinc/80/81/80/1030808180.db2.gz DITSMIDUNHXWKC-IBGZPJMESA-N 1 2 337.398 3.863 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000483439508 1031170860 /nfs/dbraw/zinc/17/08/60/1031170860.db2.gz LBAWLOUHRKOYET-OAQYLSRUSA-N 1 2 339.435 3.531 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1 ZINC000483439508 1031170872 /nfs/dbraw/zinc/17/08/72/1031170872.db2.gz LBAWLOUHRKOYET-OAQYLSRUSA-N 1 2 339.435 3.531 20 30 EHEDLO CCOc1c(C[NH2+]CC2(C#N)CCCCC2)c(C)nn1CC(C)C ZINC000594994798 1033623921 /nfs/dbraw/zinc/62/39/21/1033623921.db2.gz LWLISYYYYKEHOY-UHFFFAOYSA-N 1 2 332.492 3.810 20 30 EHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C#N)c1ccccc1 ZINC000595333572 1033732410 /nfs/dbraw/zinc/73/24/10/1033732410.db2.gz KMTJCOCOOQTFJP-FQEVSTJZSA-N 1 2 334.467 3.885 20 30 EHEDLO Cc1cc(OC[C@H](O)C[N@H+](C)C[C@H](C)C#N)c(C(C)C)cc1Cl ZINC000608784811 1033887357 /nfs/dbraw/zinc/88/73/57/1033887357.db2.gz VHPYYHJLLXTHOG-UKRRQHHQSA-N 1 2 338.879 3.603 20 30 EHEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N)c(C(C)C)cc1Cl ZINC000608784811 1033887370 /nfs/dbraw/zinc/88/73/70/1033887370.db2.gz VHPYYHJLLXTHOG-UKRRQHHQSA-N 1 2 338.879 3.603 20 30 EHEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595704344 1033952481 /nfs/dbraw/zinc/95/24/81/1033952481.db2.gz PPMGHIILLKPFAR-VQTJNVASSA-N 1 2 349.409 3.640 20 30 EHEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595704344 1033952488 /nfs/dbraw/zinc/95/24/88/1033952488.db2.gz PPMGHIILLKPFAR-VQTJNVASSA-N 1 2 349.409 3.640 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000595767928 1033969751 /nfs/dbraw/zinc/96/97/51/1033969751.db2.gz TWMLZEAZEAIPNB-UHFFFAOYSA-N 1 2 343.427 3.610 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000595767928 1033969767 /nfs/dbraw/zinc/96/97/67/1033969767.db2.gz TWMLZEAZEAIPNB-UHFFFAOYSA-N 1 2 343.427 3.610 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685852 1034112770 /nfs/dbraw/zinc/11/27/70/1034112770.db2.gz LLTAQMDQVOWRNA-MRXNPFEDSA-N 1 2 347.462 3.700 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685852 1034112781 /nfs/dbraw/zinc/11/27/81/1034112781.db2.gz LLTAQMDQVOWRNA-MRXNPFEDSA-N 1 2 347.462 3.700 20 30 EHEDLO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1C#N ZINC000456122805 1034131510 /nfs/dbraw/zinc/13/15/10/1034131510.db2.gz WTKUNWQDDXEJFQ-AWEZNQCLSA-N 1 2 338.411 3.517 20 30 EHEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597232886 1034613882 /nfs/dbraw/zinc/61/38/82/1034613882.db2.gz XRNOJJRQZXXCPM-OAQYLSRUSA-N 1 2 336.483 3.964 20 30 EHEDLO CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232886 1034613887 /nfs/dbraw/zinc/61/38/87/1034613887.db2.gz XRNOJJRQZXXCPM-OAQYLSRUSA-N 1 2 336.483 3.964 20 30 EHEDLO Cc1cc([C@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)c(O)cc1Cl ZINC000597222783 1034622953 /nfs/dbraw/zinc/62/29/53/1034622953.db2.gz IEECGTCSWFFSFJ-NSHDSACASA-N 1 2 333.844 3.672 20 30 EHEDLO Cc1cc([C@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)c(O)cc1Cl ZINC000597222783 1034622959 /nfs/dbraw/zinc/62/29/59/1034622959.db2.gz IEECGTCSWFFSFJ-NSHDSACASA-N 1 2 333.844 3.672 20 30 EHEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405621 1034897878 /nfs/dbraw/zinc/89/78/78/1034897878.db2.gz BIOAWCJYIVTXDG-NRFANRHFSA-N 1 2 336.483 3.982 20 30 EHEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405621 1034897882 /nfs/dbraw/zinc/89/78/82/1034897882.db2.gz BIOAWCJYIVTXDG-NRFANRHFSA-N 1 2 336.483 3.982 20 30 EHEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613426185 1035826788 /nfs/dbraw/zinc/82/67/88/1035826788.db2.gz BEKPLEOYZJFOCR-MRXNPFEDSA-N 1 2 349.482 3.529 20 30 EHEDLO Cc1cccn2cc(CCNc3nc(C(C)(C)C)ccc3C#N)[nH+]c12 ZINC000613426062 1035827697 /nfs/dbraw/zinc/82/76/97/1035827697.db2.gz MDPLWHNKVFLKST-UHFFFAOYSA-N 1 2 333.439 3.862 20 30 EHEDLO CC[C@@H](C)Oc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1OC ZINC000613443226 1035878666 /nfs/dbraw/zinc/87/86/66/1035878666.db2.gz FFUCBJIWZCKAHS-CQSZACIVSA-N 1 2 325.412 3.946 20 30 EHEDLO COc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1C#N ZINC000325764926 1036032762 /nfs/dbraw/zinc/03/27/62/1036032762.db2.gz ZVRDSIPZWWGIGO-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000255893288 1036216324 /nfs/dbraw/zinc/21/63/24/1036216324.db2.gz JQDYYHXJRLWIKK-ALCCZGGFSA-N 1 2 327.727 3.792 20 30 EHEDLO C=CCCCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000175173921 1036263140 /nfs/dbraw/zinc/26/31/40/1036263140.db2.gz OPRRMHXLNFTXAC-UHFFFAOYSA-N 1 2 341.480 3.996 20 30 EHEDLO C=CCCCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000175173921 1036263155 /nfs/dbraw/zinc/26/31/55/1036263155.db2.gz OPRRMHXLNFTXAC-UHFFFAOYSA-N 1 2 341.480 3.996 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](CC)C1 ZINC000464791875 1036802038 /nfs/dbraw/zinc/80/20/38/1036802038.db2.gz VJJBTUYEJXBNTI-AWEZNQCLSA-N 1 2 336.526 3.731 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@@H](CC)C1 ZINC000464791875 1036802052 /nfs/dbraw/zinc/80/20/52/1036802052.db2.gz VJJBTUYEJXBNTI-AWEZNQCLSA-N 1 2 336.526 3.731 20 30 EHEDLO N#CCC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000541922008 1036823118 /nfs/dbraw/zinc/82/31/18/1036823118.db2.gz YTNNWMTVWZGZPC-UHFFFAOYSA-N 1 2 327.453 3.848 20 30 EHEDLO C#Cc1cccc(NC(=S)N(C)CCCc2[nH+]ccn2CCC)c1 ZINC000761506848 1037078097 /nfs/dbraw/zinc/07/80/97/1037078097.db2.gz LCQWYAPBSQXBPT-UHFFFAOYSA-N 1 2 340.496 3.536 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(F)cc1 ZINC000008120324 1037183049 /nfs/dbraw/zinc/18/30/49/1037183049.db2.gz CHKJXIQBFFWSNU-UHFFFAOYSA-N 1 2 343.427 3.512 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(F)cc1 ZINC000008120324 1037183055 /nfs/dbraw/zinc/18/30/55/1037183055.db2.gz CHKJXIQBFFWSNU-UHFFFAOYSA-N 1 2 343.427 3.512 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000540054825 1037522823 /nfs/dbraw/zinc/52/28/23/1037522823.db2.gz CESCXFWWGMYHLO-UHFFFAOYSA-N 1 2 332.753 3.948 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC000540054825 1037522834 /nfs/dbraw/zinc/52/28/34/1037522834.db2.gz CESCXFWWGMYHLO-UHFFFAOYSA-N 1 2 332.753 3.948 20 30 EHEDLO C[C@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000491508627 1037529196 /nfs/dbraw/zinc/52/91/96/1037529196.db2.gz YSXMKIYVBYSAIF-BCTQVIJGSA-N 1 2 342.402 3.635 20 30 EHEDLO COc1ccc([C@@H]([NH2+]C[C@@H](C#N)CCC#N)c2ccc(F)cc2)cc1 ZINC000591728470 1037571818 /nfs/dbraw/zinc/57/18/18/1037571818.db2.gz IGUVACWEZUVLEF-QRWLVFNGSA-N 1 2 337.398 3.957 20 30 EHEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532560659 1037644331 /nfs/dbraw/zinc/64/43/31/1037644331.db2.gz VDTHBVNATHRJSE-ZXYDQQDNSA-N 1 2 331.463 3.950 20 30 EHEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000591849889 1037680025 /nfs/dbraw/zinc/68/00/25/1037680025.db2.gz GBYYCCIGJRQUBU-LBPRGKRZSA-N 1 2 343.452 3.582 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000591853676 1037682686 /nfs/dbraw/zinc/68/26/86/1037682686.db2.gz WFAUHBIRQIDLAM-ZDUSSCGKSA-N 1 2 337.452 3.608 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000591853676 1037682695 /nfs/dbraw/zinc/68/26/95/1037682695.db2.gz WFAUHBIRQIDLAM-ZDUSSCGKSA-N 1 2 337.452 3.608 20 30 EHEDLO C[C@H](NC(=O)/C=C\c1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000491927847 1037792489 /nfs/dbraw/zinc/79/24/89/1037792489.db2.gz VPYASRSBSMVPFL-YDZSZYSISA-N 1 2 342.402 3.635 20 30 EHEDLO N#CCn1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc2ccccc21 ZINC000609168686 1037876893 /nfs/dbraw/zinc/87/68/93/1037876893.db2.gz BQVYPEVIVJQDCK-UHFFFAOYSA-N 1 2 341.374 3.807 20 30 EHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000538762477 1038527431 /nfs/dbraw/zinc/52/74/31/1038527431.db2.gz SJNUXLFOHVIBEY-CYBMUJFWSA-N 1 2 325.368 3.979 20 30 EHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000538762477 1038527440 /nfs/dbraw/zinc/52/74/40/1038527440.db2.gz SJNUXLFOHVIBEY-CYBMUJFWSA-N 1 2 325.368 3.979 20 30 EHEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000488232612 1038980062 /nfs/dbraw/zinc/98/00/62/1038980062.db2.gz JYHQNEHXJQLIAO-UHFFFAOYSA-N 1 2 348.450 3.525 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@H+](C)CC(C)(C)C#N)o1 ZINC000552316420 1039202015 /nfs/dbraw/zinc/20/20/15/1039202015.db2.gz ABFGFWPQNZXBRT-UHFFFAOYSA-N 1 2 326.396 3.715 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000552316420 1039202032 /nfs/dbraw/zinc/20/20/32/1039202032.db2.gz ABFGFWPQNZXBRT-UHFFFAOYSA-N 1 2 326.396 3.715 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccsc3C#N)n2)C1 ZINC000906376273 1039497939 /nfs/dbraw/zinc/49/79/39/1039497939.db2.gz UZGQIFRYMCHLBG-LLVKDONJSA-N 1 2 346.481 3.560 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccsc3C#N)n2)C1 ZINC000906376273 1039497946 /nfs/dbraw/zinc/49/79/46/1039497946.db2.gz UZGQIFRYMCHLBG-LLVKDONJSA-N 1 2 346.481 3.560 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)C1CC1 ZINC000552835476 1039544144 /nfs/dbraw/zinc/54/41/44/1039544144.db2.gz MWSNYOOUNPRXFI-UHFFFAOYSA-N 1 2 328.437 3.747 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)C1CC1 ZINC000552835476 1039544161 /nfs/dbraw/zinc/54/41/61/1039544161.db2.gz MWSNYOOUNPRXFI-UHFFFAOYSA-N 1 2 328.437 3.747 20 30 EHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000553066978 1039744999 /nfs/dbraw/zinc/74/49/99/1039744999.db2.gz XLJHHVKUSOHKMG-LJQANCHMSA-N 1 2 342.393 3.505 20 30 EHEDLO Cc1cc(C)c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000907186255 1039962925 /nfs/dbraw/zinc/96/29/25/1039962925.db2.gz FKSZQPJLBUWKPH-UHFFFAOYSA-N 1 2 331.419 3.808 20 30 EHEDLO N#Cc1ccc(/C=C/c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000573651152 1040185056 /nfs/dbraw/zinc/18/50/56/1040185056.db2.gz KEFJCUSGPVRPNQ-CMDGGOBGSA-N 1 2 339.358 3.964 20 30 EHEDLO CCCCOc1ccc(C(=O)/C=C\c2ccc(N)[nH+]c2)cc1OC ZINC000899348782 1040367226 /nfs/dbraw/zinc/36/72/26/1040367226.db2.gz KCICURYBUSWAKV-YVMONPNESA-N 1 2 326.396 3.747 20 30 EHEDLO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cc1C#N ZINC000555431818 1040581079 /nfs/dbraw/zinc/58/10/79/1040581079.db2.gz OGMWPQCLIFIELQ-LJQANCHMSA-N 1 2 333.439 3.511 20 30 EHEDLO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)cc1C#N ZINC000555431818 1040581086 /nfs/dbraw/zinc/58/10/86/1040581086.db2.gz OGMWPQCLIFIELQ-LJQANCHMSA-N 1 2 333.439 3.511 20 30 EHEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000555759849 1041099531 /nfs/dbraw/zinc/09/95/31/1041099531.db2.gz UQIZWPLONOQPAU-QGZVFWFLSA-N 1 2 336.435 3.548 20 30 EHEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000555759849 1041099552 /nfs/dbraw/zinc/09/95/52/1041099552.db2.gz UQIZWPLONOQPAU-QGZVFWFLSA-N 1 2 336.435 3.548 20 30 EHEDLO N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000433300433 1041239641 /nfs/dbraw/zinc/23/96/41/1041239641.db2.gz FCTYJORNGFZPHH-MRXNPFEDSA-N 1 2 348.381 3.722 20 30 EHEDLO C#CCOc1cccc(OC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)c1 ZINC001125977955 1041727775 /nfs/dbraw/zinc/72/77/75/1041727775.db2.gz DQJMJXOLPGVLEF-HXUWFJFHSA-N 1 2 337.419 3.687 20 30 EHEDLO C=CCN(CC1CCCCC1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000601896336 1042644976 /nfs/dbraw/zinc/64/49/76/1042644976.db2.gz BLTBHBLVBZZYTA-UHFFFAOYSA-N 1 2 341.499 3.780 20 30 EHEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000602450184 1042706182 /nfs/dbraw/zinc/70/61/82/1042706182.db2.gz IXCIXELUMFAYQR-XJKSGUPXSA-N 1 2 337.261 3.762 20 30 EHEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000602450184 1042706188 /nfs/dbraw/zinc/70/61/88/1042706188.db2.gz IXCIXELUMFAYQR-XJKSGUPXSA-N 1 2 337.261 3.762 20 30 EHEDLO CCn1c2ccccc2[nH+]c1NCc1ccc(F)c(C#N)c1Cl ZINC000432408157 1043107430 /nfs/dbraw/zinc/10/74/30/1043107430.db2.gz AKVFOFLPECGKPD-UHFFFAOYSA-N 1 2 328.778 3.754 20 30 EHEDLO CC[N@@H+](Cc1c(C)nn(Cc2ccc(OC)cc2)c1C)C[C@H](C)C#N ZINC000344523996 1044099090 /nfs/dbraw/zinc/09/90/90/1044099090.db2.gz SGUDZWRQSNDSTB-OAHLLOKOSA-N 1 2 340.471 3.538 20 30 EHEDLO CC[N@H+](Cc1c(C)nn(Cc2ccc(OC)cc2)c1C)C[C@H](C)C#N ZINC000344523996 1044099101 /nfs/dbraw/zinc/09/91/01/1044099101.db2.gz SGUDZWRQSNDSTB-OAHLLOKOSA-N 1 2 340.471 3.538 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000153694884 1125649584 /nfs/dbraw/zinc/64/95/84/1125649584.db2.gz QZZAYSOYSCGDOF-UHFFFAOYSA-N 1 2 344.503 3.960 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000765050140 1127566910 /nfs/dbraw/zinc/56/69/10/1127566910.db2.gz VDVKAPCDACQZSU-GJZGRUSLSA-N 1 2 343.500 3.597 20 30 EHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056213796 1128547792 /nfs/dbraw/zinc/54/77/92/1128547792.db2.gz HKALDKTWJLSTNN-UHFFFAOYSA-N 1 2 346.390 3.783 20 30 EHEDLO N#Cc1cnc2ccccc2c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301355907 1128587182 /nfs/dbraw/zinc/58/71/82/1128587182.db2.gz KJWDSZGRTLRQMH-UHFFFAOYSA-N 1 2 329.407 3.582 20 30 EHEDLO N#Cc1nc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1Cl ZINC000111218531 1128852559 /nfs/dbraw/zinc/85/25/59/1128852559.db2.gz JEDNKFWEHPEFCK-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](CC)CC(C)C)c1=S ZINC000153074721 1120585167 /nfs/dbraw/zinc/58/51/67/1120585167.db2.gz SZPIQHQFVLENME-UHFFFAOYSA-N 1 2 345.516 3.988 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](CC)CC(C)C)c1=S ZINC000153074721 1120585171 /nfs/dbraw/zinc/58/51/71/1120585171.db2.gz SZPIQHQFVLENME-UHFFFAOYSA-N 1 2 345.516 3.988 20 30 EHEDLO CCc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761760179 1120892411 /nfs/dbraw/zinc/89/24/11/1120892411.db2.gz SQONLORWAIWMFA-OAQYLSRUSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761760179 1120892413 /nfs/dbraw/zinc/89/24/13/1120892413.db2.gz SQONLORWAIWMFA-OAQYLSRUSA-N 1 2 336.435 3.573 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(Cl)cs3)CC2)cc1 ZINC000495041366 1120936304 /nfs/dbraw/zinc/93/63/04/1120936304.db2.gz HLGUYVUQYBWBPU-UHFFFAOYSA-N 1 2 331.872 3.591 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)NC3(C#N)CCC(C(C)(C)C)CC3)ccn12 ZINC001128251462 1128991989 /nfs/dbraw/zinc/99/19/89/1128991989.db2.gz PHSAEZTTWDJEOZ-UHFFFAOYSA-N 1 2 338.455 3.871 20 30 EHEDLO C#CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)[C@@H]1CCc2ccccc21 ZINC000918739710 1122902750 /nfs/dbraw/zinc/90/27/50/1122902750.db2.gz QZFCNFJIVZJPMP-LJQANCHMSA-N 1 2 348.475 3.666 20 30 EHEDLO C#CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)[C@@H]1CCc2ccccc21 ZINC000918739710 1122902754 /nfs/dbraw/zinc/90/27/54/1122902754.db2.gz QZFCNFJIVZJPMP-LJQANCHMSA-N 1 2 348.475 3.666 20 30 EHEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000920376401 1123361669 /nfs/dbraw/zinc/36/16/69/1123361669.db2.gz HQAFRLMUXTUBHW-UHFFFAOYSA-N 1 2 331.366 3.638 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC001626067584 1129143098 /nfs/dbraw/zinc/14/30/98/1129143098.db2.gz RDCYDOIATKIQOZ-YJBOKZPZSA-N 1 2 330.497 3.922 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC001626067584 1129143101 /nfs/dbraw/zinc/14/31/01/1129143101.db2.gz RDCYDOIATKIQOZ-YJBOKZPZSA-N 1 2 330.497 3.922 20 30 EHEDLO C=CCC1(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CCCC1 ZINC000619110974 1125276516 /nfs/dbraw/zinc/27/65/16/1125276516.db2.gz SDIQTRFZJIVTKG-UHFFFAOYSA-N 1 2 333.382 3.628 20 30 EHEDLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000067132997 1129247147 /nfs/dbraw/zinc/24/71/47/1129247147.db2.gz PVSJKSUDHCRYIB-MGPUTAFESA-N 1 2 345.402 3.857 20 30 EHEDLO C=C(C)COc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1OC ZINC000922579197 1129579747 /nfs/dbraw/zinc/57/97/47/1129579747.db2.gz GHYWWHIYCURBPJ-LJQANCHMSA-N 1 2 339.439 3.681 20 30 EHEDLO C=C(C)COc1cc(C[NH2+][C@H](c2ncccn2)C2CC2)ccc1OC ZINC000922579196 1129579765 /nfs/dbraw/zinc/57/97/65/1129579765.db2.gz GHYWWHIYCURBPJ-IBGZPJMESA-N 1 2 339.439 3.681 20 30 EHEDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000029157841 1129863837 /nfs/dbraw/zinc/86/38/37/1129863837.db2.gz CLRFFMMQWWZLEZ-LBPRGKRZSA-N 1 2 331.803 3.572 20 30 EHEDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000029157841 1129863843 /nfs/dbraw/zinc/86/38/43/1129863843.db2.gz CLRFFMMQWWZLEZ-LBPRGKRZSA-N 1 2 331.803 3.572 20 30 EHEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)nn1 ZINC000625655630 1129967763 /nfs/dbraw/zinc/96/77/63/1129967763.db2.gz PJHVRAJSUYPSKZ-HNNXBMFYSA-N 1 2 332.398 3.512 20 30 EHEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)nn1 ZINC000625655630 1129967765 /nfs/dbraw/zinc/96/77/65/1129967765.db2.gz PJHVRAJSUYPSKZ-HNNXBMFYSA-N 1 2 332.398 3.512 20 30 EHEDLO C[C@@H](NC(=O)/C=C/c1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173935682 1130325625 /nfs/dbraw/zinc/32/56/25/1130325625.db2.gz RSSJFTKNZZFVML-ROJDOSBLSA-N 1 2 342.402 3.635 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(-n2cccn2)cc1 ZINC000730146052 1130678659 /nfs/dbraw/zinc/67/86/59/1130678659.db2.gz CMLUNNIEILNIPA-UHFFFAOYSA-N 1 2 327.391 3.679 20 30 EHEDLO CSCC[C@H](C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000736319127 1131415883 /nfs/dbraw/zinc/41/58/83/1131415883.db2.gz USFYFHKYYCQQTC-STQMWFEESA-N 1 2 347.509 3.546 20 30 EHEDLO CSCC[C@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000736319127 1131415887 /nfs/dbraw/zinc/41/58/87/1131415887.db2.gz USFYFHKYYCQQTC-STQMWFEESA-N 1 2 347.509 3.546 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000739904254 1131516113 /nfs/dbraw/zinc/51/61/13/1131516113.db2.gz RNKQJZNWANBMEV-NRFANRHFSA-N 1 2 348.446 3.727 20 30 EHEDLO Cc1cccc(N=C2NC(=O)/C(=C\c3c[nH+]c4c(C)cccn34)S2)c1 ZINC000741468391 1131605995 /nfs/dbraw/zinc/60/59/95/1131605995.db2.gz IKUUZPAGBVPGJL-MHWRWJLKSA-N 1 2 348.431 3.843 20 30 EHEDLO NC(=[NH+]OCc1ccccc1OCC(F)(F)F)c1ccc(F)cc1 ZINC000742461468 1131732475 /nfs/dbraw/zinc/73/24/75/1131732475.db2.gz ARCRRJBRRMWBSY-UHFFFAOYSA-N 1 2 342.292 3.604 20 30 EHEDLO N#Cc1cc(-c2ccccc2)oc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212666509 1131763265 /nfs/dbraw/zinc/76/32/65/1131763265.db2.gz RUYPFOKMJKXSOL-UHFFFAOYSA-N 1 2 345.402 3.738 20 30 EHEDLO CC[N@H+](C)[C@@H](C(=O)OCc1cn2ccccc2c1C#N)c1ccccc1 ZINC000745102109 1132194103 /nfs/dbraw/zinc/19/41/03/1132194103.db2.gz UHXFDQMCDVXQBL-HXUWFJFHSA-N 1 2 347.418 3.547 20 30 EHEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1cn2ccccc2c1C#N)c1ccccc1 ZINC000745102109 1132194108 /nfs/dbraw/zinc/19/41/08/1132194108.db2.gz UHXFDQMCDVXQBL-HXUWFJFHSA-N 1 2 347.418 3.547 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)Oc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000767156270 1132960897 /nfs/dbraw/zinc/96/08/97/1132960897.db2.gz GENLJANKDMSHHB-LJQANCHMSA-N 1 2 338.407 3.555 20 30 EHEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001176815907 1133001949 /nfs/dbraw/zinc/00/19/49/1133001949.db2.gz YNKRPVRZPIESJR-DOMZBBRYSA-N 1 2 345.443 3.927 20 30 EHEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001176815907 1133001953 /nfs/dbraw/zinc/00/19/53/1133001953.db2.gz YNKRPVRZPIESJR-DOMZBBRYSA-N 1 2 345.443 3.927 20 30 EHEDLO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC001176967526 1133017167 /nfs/dbraw/zinc/01/71/67/1133017167.db2.gz OTKWDUORSQCXDZ-DOTOQJQBSA-N 1 2 334.423 3.564 20 30 EHEDLO C=CCc1cc(CNc2ccc(N(CC)CC)[nH+]c2)cc(OC)c1O ZINC001178254042 1133145740 /nfs/dbraw/zinc/14/57/40/1133145740.db2.gz HJCORTQDFCYHMO-UHFFFAOYSA-N 1 2 341.455 3.983 20 30 EHEDLO Oc1ccc(Br)c(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000769793789 1133347215 /nfs/dbraw/zinc/34/72/15/1133347215.db2.gz VEOUUYDSABBEPV-UHFFFAOYSA-N 1 2 342.196 3.571 20 30 EHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC001204283878 1133420509 /nfs/dbraw/zinc/42/05/09/1133420509.db2.gz GSNUTRJXKPKEKP-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO N#Cc1ccccc1Sc1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000771983417 1133624205 /nfs/dbraw/zinc/62/42/05/1133624205.db2.gz FUSSUJLXINYDIM-UHFFFAOYSA-N 1 2 349.415 3.763 20 30 EHEDLO C=C(C)C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)C(=O)OCC ZINC001183551980 1133823138 /nfs/dbraw/zinc/82/31/38/1133823138.db2.gz XBTMVSALJJFSIB-HNNXBMFYSA-N 1 2 345.361 3.615 20 30 EHEDLO CCCCCCN(O)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC001184305366 1133918788 /nfs/dbraw/zinc/91/87/88/1133918788.db2.gz HYAKMZUQBLUINX-UHFFFAOYSA-N 1 2 342.443 3.809 20 30 EHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cc(C)on2)ccc1OC ZINC000788639437 1134154559 /nfs/dbraw/zinc/15/45/59/1134154559.db2.gz OELKYRBOCAGZTR-ZFWWWQNUSA-N 1 2 329.400 3.523 20 30 EHEDLO COc1ccc2nc(C[NH2+]Cc3cc(C#N)ccc3F)sc2c1 ZINC000788967313 1134196828 /nfs/dbraw/zinc/19/68/28/1134196828.db2.gz RIEQOJGMCBUKEA-UHFFFAOYSA-N 1 2 327.384 3.605 20 30 EHEDLO COc1ncc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cc1Cl ZINC000789156982 1134231300 /nfs/dbraw/zinc/23/13/00/1134231300.db2.gz UHWHBAAZFFEJIQ-IHWYPQMZSA-N 1 2 345.811 3.887 20 30 EHEDLO CCOC(=O)c1cc(C#N)c(Nc2cc(C)c[nH+]c2C)c(C)c1O ZINC001203663325 1134340417 /nfs/dbraw/zinc/34/04/17/1134340417.db2.gz HWXQDLCIEIZTPX-UHFFFAOYSA-N 1 2 325.368 3.504 20 30 EHEDLO N#CC[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000793235256 1134880630 /nfs/dbraw/zinc/88/06/30/1134880630.db2.gz DSEBTXNEBXGSHY-IBGZPJMESA-N 1 2 344.418 3.576 20 30 EHEDLO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484790 1135292057 /nfs/dbraw/zinc/29/20/57/1135292057.db2.gz RIJSDEWGDNGJPJ-YVSFHVDLSA-N 1 2 335.492 3.931 20 30 EHEDLO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484790 1135292059 /nfs/dbraw/zinc/29/20/59/1135292059.db2.gz RIJSDEWGDNGJPJ-YVSFHVDLSA-N 1 2 335.492 3.931 20 30 EHEDLO CC[C@H]1CC([NH+]2CC(C)(C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170485724 1135304217 /nfs/dbraw/zinc/30/42/17/1135304217.db2.gz YCVXWNPWHPRTCO-GJZGRUSLSA-N 1 2 335.492 3.789 20 30 EHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC001194887210 1135343216 /nfs/dbraw/zinc/34/32/16/1135343216.db2.gz KYYVFCYTZIVSMQ-UHFFFAOYSA-N 1 2 348.431 3.761 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001198827781 1135857239 /nfs/dbraw/zinc/85/72/39/1135857239.db2.gz GCVNIMMWURBXEH-UHFFFAOYSA-N 1 2 328.799 3.506 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001198827781 1135857243 /nfs/dbraw/zinc/85/72/43/1135857243.db2.gz GCVNIMMWURBXEH-UHFFFAOYSA-N 1 2 328.799 3.506 20 30 EHEDLO CC[NH+](CC)Cc1ccccc1C/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000005335309 1135956544 /nfs/dbraw/zinc/95/65/44/1135956544.db2.gz RTLJTTIYHFDZQD-DEDYPNTBSA-N 1 2 341.411 3.761 20 30 EHEDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000776154253 1136006160 /nfs/dbraw/zinc/00/61/60/1136006160.db2.gz REGLPNSFNBLHMH-OXJNMPFZSA-N 1 2 346.434 3.763 20 30 EHEDLO C=CCOc1c(Cl)cc(CNc2ccc(N(C)C)[nH+]c2)cc1OC ZINC001201365918 1136008953 /nfs/dbraw/zinc/00/89/53/1136008953.db2.gz XISUHPPEHYBKQA-UHFFFAOYSA-N 1 2 347.846 3.987 20 30 EHEDLO CC(=[NH+]Nc1cc(F)c(F)c(F)c1)c1cccc(N2CCOCC2)c1 ZINC000747642524 1136014101 /nfs/dbraw/zinc/01/41/01/1136014101.db2.gz PYKVOGYPKRLERE-UHFFFAOYSA-N 1 2 349.356 3.777 20 30 EHEDLO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@@H](C#N)CCC#N)CC3)c2c1 ZINC000747675129 1136050024 /nfs/dbraw/zinc/05/00/24/1136050024.db2.gz MDEDRMNOQLUYNI-OAHLLOKOSA-N 1 2 334.423 3.709 20 30 EHEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@@H](C#N)CCC#N)CC3)c2c1 ZINC000747675129 1136050027 /nfs/dbraw/zinc/05/00/27/1136050027.db2.gz MDEDRMNOQLUYNI-OAHLLOKOSA-N 1 2 334.423 3.709 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(SC)s2)c1 ZINC000811457747 1136089676 /nfs/dbraw/zinc/08/96/76/1136089676.db2.gz PETCZBHLAFIDLB-UHFFFAOYSA-N 1 2 330.478 3.522 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(SC)s2)c1 ZINC000811457747 1136089678 /nfs/dbraw/zinc/08/96/78/1136089678.db2.gz PETCZBHLAFIDLB-UHFFFAOYSA-N 1 2 330.478 3.522 20 30 EHEDLO C#C[C@H]([NH2+][C@@H](C)c1csc(-c2ccccc2F)n1)[C@@H]1CCCO1 ZINC000812731301 1136238253 /nfs/dbraw/zinc/23/82/53/1136238253.db2.gz JDMXPUNHCBSJNI-NUTKFTJISA-N 1 2 330.428 3.781 20 30 EHEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000812891810 1136265660 /nfs/dbraw/zinc/26/56/60/1136265660.db2.gz ROXAEVHEHCJSPA-CYBMUJFWSA-N 1 2 329.469 3.841 20 30 EHEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC(C)(C)C ZINC000812891810 1136265662 /nfs/dbraw/zinc/26/56/62/1136265662.db2.gz ROXAEVHEHCJSPA-CYBMUJFWSA-N 1 2 329.469 3.841 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000852320323 1136447946 /nfs/dbraw/zinc/44/79/46/1136447946.db2.gz ZADKGKUSKXGSGY-KRWDZBQOSA-N 1 2 333.435 3.918 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000852320323 1136447948 /nfs/dbraw/zinc/44/79/48/1136447948.db2.gz ZADKGKUSKXGSGY-KRWDZBQOSA-N 1 2 333.435 3.918 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852652144 1136473458 /nfs/dbraw/zinc/47/34/58/1136473458.db2.gz ZYOGLUABIKKHDK-UHFFFAOYSA-N 1 2 346.858 3.633 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852652144 1136473459 /nfs/dbraw/zinc/47/34/59/1136473459.db2.gz ZYOGLUABIKKHDK-UHFFFAOYSA-N 1 2 346.858 3.633 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853626850 1136550253 /nfs/dbraw/zinc/55/02/53/1136550253.db2.gz IQXFYKNEKJXUQH-ZDUSSCGKSA-N 1 2 332.473 3.795 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853626850 1136550257 /nfs/dbraw/zinc/55/02/57/1136550257.db2.gz IQXFYKNEKJXUQH-ZDUSSCGKSA-N 1 2 332.473 3.795 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000853666714 1136553880 /nfs/dbraw/zinc/55/38/80/1136553880.db2.gz RAYBPIXAWPSLQM-HKUYNNGSSA-N 1 2 337.423 3.601 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000815148193 1136562995 /nfs/dbraw/zinc/56/29/95/1136562995.db2.gz OHWJNJCCLJEIQI-MRXNPFEDSA-N 1 2 326.362 3.799 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000815148193 1136562997 /nfs/dbraw/zinc/56/29/97/1136562997.db2.gz OHWJNJCCLJEIQI-MRXNPFEDSA-N 1 2 326.362 3.799 20 30 EHEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1OC ZINC000816647161 1136744208 /nfs/dbraw/zinc/74/42/08/1136744208.db2.gz OCGUCFVASDWOTN-VXGBXAGGSA-N 1 2 340.261 3.863 20 30 EHEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@H]2C)cc1OC ZINC000816647161 1136744211 /nfs/dbraw/zinc/74/42/11/1136744211.db2.gz OCGUCFVASDWOTN-VXGBXAGGSA-N 1 2 340.261 3.863 20 30 EHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC001138037236 1136913915 /nfs/dbraw/zinc/91/39/15/1136913915.db2.gz OWUIZERNTTYITK-ZDUSSCGKSA-N 1 2 340.826 3.664 20 30 EHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC001138037236 1136913917 /nfs/dbraw/zinc/91/39/17/1136913917.db2.gz OWUIZERNTTYITK-ZDUSSCGKSA-N 1 2 340.826 3.664 20 30 EHEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2coc(CC)n2)cc1OC ZINC000858172087 1136946287 /nfs/dbraw/zinc/94/62/87/1136946287.db2.gz JIXYKXOVXDGWQX-UHFFFAOYSA-N 1 2 336.819 3.754 20 30 EHEDLO CC(C)(C)c1csc(NC(=O)NCCNc2cccc[nH+]2)c1C#N ZINC000821481919 1137029433 /nfs/dbraw/zinc/02/94/33/1137029433.db2.gz MXNPSZLFVDDLNL-UHFFFAOYSA-N 1 2 343.456 3.546 20 30 EHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001143719333 1137191832 /nfs/dbraw/zinc/19/18/32/1137191832.db2.gz VZIHBHIMGYKASB-UHFFFAOYSA-N 1 2 326.774 3.602 20 30 EHEDLO Cc1cc(Cl)cc2c1OC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794708241 1137239890 /nfs/dbraw/zinc/23/98/90/1137239890.db2.gz QQYGTAFZXGZAII-VZUCSPMQSA-N 1 2 348.855 3.825 20 30 EHEDLO N#CC1(c2cc[nH+]c(N[C@H](CO)c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001171145648 1137246632 /nfs/dbraw/zinc/24/66/32/1137246632.db2.gz IRPIVTIXMVQIBG-OAHLLOKOSA-N 1 2 347.340 3.801 20 30 EHEDLO C=CC[C@H]([NH2+]Cc1nccc(C)c1Br)c1ccncc1 ZINC000865465275 1137286404 /nfs/dbraw/zinc/28/64/04/1137286404.db2.gz XNEKESBXTHKAID-AWEZNQCLSA-N 1 2 332.245 3.955 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866336778 1137346878 /nfs/dbraw/zinc/34/68/78/1137346878.db2.gz MGHZJHCARQWYPX-YVEFUNNKSA-N 1 2 326.371 3.967 20 30 EHEDLO CC(C)Oc1ccc2ccccc2c1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171258526 1137378840 /nfs/dbraw/zinc/37/88/40/1137378840.db2.gz BTKXGEBOIYRHCM-UHFFFAOYSA-N 1 2 347.418 3.763 20 30 EHEDLO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C(C)(C)C#N)CC1 ZINC001172210518 1137541599 /nfs/dbraw/zinc/54/15/99/1137541599.db2.gz WYOXUVXHYDMCDO-UHFFFAOYSA-N 1 2 334.847 3.585 20 30 EHEDLO Cc1ccoc1C[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000795178106 1137547827 /nfs/dbraw/zinc/54/78/27/1137547827.db2.gz WASCVILDNOQWHE-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000795178106 1137547829 /nfs/dbraw/zinc/54/78/29/1137547829.db2.gz WASCVILDNOQWHE-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876795884 1137661417 /nfs/dbraw/zinc/66/14/17/1137661417.db2.gz BFZWLMTWAYNRJV-MSOLQXFVSA-N 1 2 333.391 3.805 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876795884 1137661418 /nfs/dbraw/zinc/66/14/18/1137661418.db2.gz BFZWLMTWAYNRJV-MSOLQXFVSA-N 1 2 333.391 3.805 20 30 EHEDLO N#Cc1cnc(Cl)c(CNC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000876891006 1137664653 /nfs/dbraw/zinc/66/46/53/1137664653.db2.gz NUNULDFAYOINJY-INIZCTEOSA-N 1 2 344.846 3.516 20 30 EHEDLO CC(C)([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000877545514 1137680754 /nfs/dbraw/zinc/68/07/54/1137680754.db2.gz HOFAAHOIUVXPII-UHFFFAOYSA-N 1 2 330.775 3.540 20 30 EHEDLO C[N@H+](CCc1cccc(C#N)c1)Cc1ncc(C(F)(F)F)s1 ZINC000877704416 1137686469 /nfs/dbraw/zinc/68/64/69/1137686469.db2.gz HXGYJKDOYSQESL-UHFFFAOYSA-N 1 2 325.359 3.708 20 30 EHEDLO C[N@@H+](CCc1cccc(C#N)c1)Cc1ncc(C(F)(F)F)s1 ZINC000877704416 1137686470 /nfs/dbraw/zinc/68/64/70/1137686470.db2.gz HXGYJKDOYSQESL-UHFFFAOYSA-N 1 2 325.359 3.708 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000878303248 1137710418 /nfs/dbraw/zinc/71/04/18/1137710418.db2.gz KXLRLKCISQTSLU-QGZVFWFLSA-N 1 2 336.357 3.621 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000878303248 1137710419 /nfs/dbraw/zinc/71/04/19/1137710419.db2.gz KXLRLKCISQTSLU-QGZVFWFLSA-N 1 2 336.357 3.621 20 30 EHEDLO N#Cc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C1CC1 ZINC000881123734 1137800628 /nfs/dbraw/zinc/80/06/28/1137800628.db2.gz SNHKWHFCHYDRGY-GOSISDBHSA-N 1 2 348.406 3.516 20 30 EHEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3cc(F)ccc3F)sc2C1 ZINC001202646079 1137905856 /nfs/dbraw/zinc/90/58/56/1137905856.db2.gz RYNPYYIICVVAIJ-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3cc(F)ccc3F)sc2C1 ZINC001202646079 1137905857 /nfs/dbraw/zinc/90/58/57/1137905857.db2.gz RYNPYYIICVVAIJ-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO CSc1ccccc1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000348318908 1137948541 /nfs/dbraw/zinc/94/85/41/1137948541.db2.gz BYIHEVJKDFIADQ-UHFFFAOYSA-N 1 2 345.512 3.525 20 30 EHEDLO CSc1ccccc1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000348318908 1137948542 /nfs/dbraw/zinc/94/85/42/1137948542.db2.gz BYIHEVJKDFIADQ-UHFFFAOYSA-N 1 2 345.512 3.525 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cnn(Cc2ccccc2)c1 ZINC000348378641 1138067288 /nfs/dbraw/zinc/06/72/88/1138067288.db2.gz JZIHLUQGGVXBRP-OAHLLOKOSA-N 1 2 334.398 3.793 20 30 EHEDLO C=CCn1cc2ccc(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)cc2n1 ZINC000886649405 1138106729 /nfs/dbraw/zinc/10/67/29/1138106729.db2.gz ZRENWVLUUAUAOD-SFHVURJKSA-N 1 2 337.427 3.645 20 30 EHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC=C(F)C3)sc2C1 ZINC000334033810 1138363956 /nfs/dbraw/zinc/36/39/56/1138363956.db2.gz MQDHJJRELNQPSA-GFCCVEGCSA-N 1 2 347.459 3.632 20 30 EHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC=C(F)C3)sc2C1 ZINC000334033810 1138363958 /nfs/dbraw/zinc/36/39/58/1138363958.db2.gz MQDHJJRELNQPSA-GFCCVEGCSA-N 1 2 347.459 3.632 20 30 EHEDLO C[C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000134137180 1138674669 /nfs/dbraw/zinc/67/46/69/1138674669.db2.gz DLUZAUYIPPWEIK-LRDDRELGSA-N 1 2 334.345 3.861 20 30 EHEDLO Cc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc(C2CC2)[nH+]1 ZINC000265298690 1138799442 /nfs/dbraw/zinc/79/94/42/1138799442.db2.gz CLNCTEWBTDVPOP-UHFFFAOYSA-N 1 2 334.423 3.582 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889543284 1139229010 /nfs/dbraw/zinc/22/90/10/1139229010.db2.gz XXJWZIZQGCOLMX-VHKIVQRHSA-N 1 2 340.471 3.697 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890243715 1139328782 /nfs/dbraw/zinc/32/87/82/1139328782.db2.gz SFPFZDXKRSZWJA-CEXWTWQISA-N 1 2 336.439 3.517 20 30 EHEDLO CC(C)[N@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(C#N)cc1 ZINC000181157073 1139888134 /nfs/dbraw/zinc/88/81/34/1139888134.db2.gz YXBLZUGZATZOFI-UHFFFAOYSA-N 1 2 335.455 3.773 20 30 EHEDLO CC(C)[N@@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(C#N)cc1 ZINC000181157073 1139888143 /nfs/dbraw/zinc/88/81/43/1139888143.db2.gz YXBLZUGZATZOFI-UHFFFAOYSA-N 1 2 335.455 3.773 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000185391522 1140148620 /nfs/dbraw/zinc/14/86/20/1140148620.db2.gz IRJUAZGEJKSRES-ULQDDVLXSA-N 1 2 330.472 3.837 20 30 EHEDLO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186687355 1140217224 /nfs/dbraw/zinc/21/72/24/1140217224.db2.gz TYLWZXNPVDBVEZ-UHFFFAOYSA-N 1 2 347.890 3.682 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)NCCCn1cc[nH+]c1 ZINC000191424215 1140463128 /nfs/dbraw/zinc/46/31/28/1140463128.db2.gz JWCMDCASPHVSGB-UHFFFAOYSA-N 1 2 326.444 3.947 20 30 EHEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000268232883 1140906854 /nfs/dbraw/zinc/90/68/54/1140906854.db2.gz PDMZECVMTAQKRS-LJQANCHMSA-N 1 2 334.398 3.921 20 30 EHEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000268232883 1140906861 /nfs/dbraw/zinc/90/68/61/1140906861.db2.gz PDMZECVMTAQKRS-LJQANCHMSA-N 1 2 334.398 3.921 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 ZINC000271121423 1141310769 /nfs/dbraw/zinc/31/07/69/1141310769.db2.gz IEKQUFCZBLFUOM-UHFFFAOYSA-N 1 2 330.334 3.524 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2Br)c(F)c1 ZINC000038039368 213195554 /nfs/dbraw/zinc/19/55/54/213195554.db2.gz UZKVXAOKQRAHCX-UHFFFAOYSA-N 1 2 337.167 3.889 20 30 EHEDLO C[C@@H]1CCN(c2cccc(Br)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000367956755 524525149 /nfs/dbraw/zinc/52/51/49/524525149.db2.gz NUIOMXTUKNVRNQ-WBMJQRKESA-N 1 2 345.244 3.605 20 30 EHEDLO N#Cc1c(C(F)F)cccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000579734835 1014335213 /nfs/dbraw/zinc/33/52/13/1014335213.db2.gz YMTZCFSVSUTDBP-UHFFFAOYSA-N 1 2 348.422 3.665 20 30 EHEDLO N#Cc1c(C(F)F)cccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000579734835 1014335220 /nfs/dbraw/zinc/33/52/20/1014335220.db2.gz YMTZCFSVSUTDBP-UHFFFAOYSA-N 1 2 348.422 3.665 20 30 EHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(Br)c1 ZINC000339486011 1014569388 /nfs/dbraw/zinc/56/93/88/1014569388.db2.gz BYDSYAUDSSFNML-MRVPVSSYSA-N 1 2 340.221 3.767 20 30 EHEDLO C=C(C)CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000274710867 1014603764 /nfs/dbraw/zinc/60/37/64/1014603764.db2.gz CSAHHJXICDMXRR-UHFFFAOYSA-N 1 2 342.512 3.981 20 30 EHEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000748082303 1015332481 /nfs/dbraw/zinc/33/24/81/1015332481.db2.gz HUKCGXLDEHVNOS-UHFFFAOYSA-N 1 2 346.515 3.826 20 30 EHEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000748082303 1015332485 /nfs/dbraw/zinc/33/24/85/1015332485.db2.gz HUKCGXLDEHVNOS-UHFFFAOYSA-N 1 2 346.515 3.826 20 30 EHEDLO N#CC1CC[NH+](Cn2ncc3ccc(OCc4ccccc4)cc32)CC1 ZINC000748086836 1015572664 /nfs/dbraw/zinc/57/26/64/1015572664.db2.gz BFFGCWSPTNBJJC-UHFFFAOYSA-N 1 2 346.434 3.808 20 30 EHEDLO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000905002070 1032316590 /nfs/dbraw/zinc/31/65/90/1032316590.db2.gz FICYACLWWADNDV-HODJVYLWSA-N 1 2 345.295 3.698 20 30 EHEDLO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000905002070 1032316598 /nfs/dbraw/zinc/31/65/98/1032316598.db2.gz FICYACLWWADNDV-HODJVYLWSA-N 1 2 345.295 3.698 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000537177304 1032548799 /nfs/dbraw/zinc/54/87/99/1032548799.db2.gz YGHHPYVDIVZXIG-NVGCLXPQSA-N 1 2 339.842 3.573 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000537177303 1032549066 /nfs/dbraw/zinc/54/90/66/1032549066.db2.gz YGHHPYVDIVZXIG-BWACUDIHSA-N 1 2 339.842 3.573 20 30 EHEDLO CC[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cccc(C#N)c1O ZINC000924603875 1017374799 /nfs/dbraw/zinc/37/47/99/1017374799.db2.gz MWBHEIXEMSPATL-IRXDYDNUSA-N 1 2 329.469 3.669 20 30 EHEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000177317269 1017605059 /nfs/dbraw/zinc/60/50/59/1017605059.db2.gz VBWJKQBVYGPHOO-UHFFFAOYSA-N 1 2 347.434 3.529 20 30 EHEDLO COC(=O)c1ccc(Cl)c(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000181869415 1018526935 /nfs/dbraw/zinc/52/69/35/1018526935.db2.gz OEXIBTFQSFWIRJ-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO COC(=O)c1ccc(Cl)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000181869415 1018526947 /nfs/dbraw/zinc/52/69/47/1018526947.db2.gz OEXIBTFQSFWIRJ-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO CC(=NNCCCOc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000729147949 1019203048 /nfs/dbraw/zinc/20/30/48/1019203048.db2.gz PBSVYLIWFSYCOU-UHFFFAOYSA-N 1 2 334.423 3.655 20 30 EHEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2Br)[C@H]1[C@@H]1CCCO1 ZINC000579650191 1019412468 /nfs/dbraw/zinc/41/24/68/1019412468.db2.gz ZFOJTADRHSOUFY-HOTGVXAUSA-N 1 2 349.272 3.710 20 30 EHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2Br)[C@H]1[C@@H]1CCCO1 ZINC000579650191 1019412474 /nfs/dbraw/zinc/41/24/74/1019412474.db2.gz ZFOJTADRHSOUFY-HOTGVXAUSA-N 1 2 349.272 3.710 20 30 EHEDLO N#C[C@H]1CC[C@@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000580556681 1019636848 /nfs/dbraw/zinc/63/68/48/1019636848.db2.gz AFSLNXFCVIGKGC-WMLDXEAASA-N 1 2 349.438 3.700 20 30 EHEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)Cc1cccs1 ZINC000340734106 1019740460 /nfs/dbraw/zinc/74/04/60/1019740460.db2.gz BAGWWBWSAGVQFX-UHFFFAOYSA-N 1 2 349.521 3.909 20 30 EHEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)Cc1cccs1 ZINC000340734106 1019740476 /nfs/dbraw/zinc/74/04/76/1019740476.db2.gz BAGWWBWSAGVQFX-UHFFFAOYSA-N 1 2 349.521 3.909 20 30 EHEDLO COc1ccc2oc(C[N@@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2c1 ZINC000897590802 1032862408 /nfs/dbraw/zinc/86/24/08/1032862408.db2.gz CBSYKPBUMNYIRG-OAQYLSRUSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1ccc2oc(C[N@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2c1 ZINC000897590802 1032862426 /nfs/dbraw/zinc/86/24/26/1032862426.db2.gz CBSYKPBUMNYIRG-OAQYLSRUSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135239133 1020921174 /nfs/dbraw/zinc/92/11/74/1020921174.db2.gz NDAOZQMVGLAGKR-UHFFFAOYSA-N 1 2 337.379 3.640 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135239133 1020921180 /nfs/dbraw/zinc/92/11/80/1020921180.db2.gz NDAOZQMVGLAGKR-UHFFFAOYSA-N 1 2 337.379 3.640 20 30 EHEDLO C[C@@H](CCC#N)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000298211962 1021791944 /nfs/dbraw/zinc/79/19/44/1021791944.db2.gz GQFRTBFWTCDEEI-STQMWFEESA-N 1 2 347.463 3.813 20 30 EHEDLO C=CCCCCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000520425408 1022228517 /nfs/dbraw/zinc/22/85/17/1022228517.db2.gz VENATGQHHAOWMI-QGZVFWFLSA-N 1 2 344.503 3.855 20 30 EHEDLO C=CCCCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000473663847 1022416336 /nfs/dbraw/zinc/41/63/36/1022416336.db2.gz RXMMLIOKAGNVKG-INIZCTEOSA-N 1 2 331.460 3.558 20 30 EHEDLO C=CC[N@@H+](CCC#N)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000292044482 1022438878 /nfs/dbraw/zinc/43/88/78/1022438878.db2.gz AUAYGAJCHRGJGG-UHFFFAOYSA-N 1 2 328.391 3.518 20 30 EHEDLO C=CC[N@H+](CCC#N)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000292044482 1022438887 /nfs/dbraw/zinc/43/88/87/1022438887.db2.gz AUAYGAJCHRGJGG-UHFFFAOYSA-N 1 2 328.391 3.518 20 30 EHEDLO N#Cc1cc(C[NH+]2CCN(c3nccc4sccc43)CC2)cs1 ZINC000894522511 1022487130 /nfs/dbraw/zinc/48/71/30/1022487130.db2.gz JFJYPSCKBIPRDA-UHFFFAOYSA-N 1 2 340.477 3.552 20 30 EHEDLO C[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000328836168 1022510981 /nfs/dbraw/zinc/51/09/81/1022510981.db2.gz SMCZLKYXQUBPQL-PBHICJAKSA-N 1 2 330.476 3.501 20 30 EHEDLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328923642 1022547223 /nfs/dbraw/zinc/54/72/23/1022547223.db2.gz NFIXLVSEOWKGFZ-KUHUBIRLSA-N 1 2 338.455 3.827 20 30 EHEDLO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328923642 1022547238 /nfs/dbraw/zinc/54/72/38/1022547238.db2.gz NFIXLVSEOWKGFZ-KUHUBIRLSA-N 1 2 338.455 3.827 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCC(F)(F)CC2)c1C ZINC000330501813 1022605734 /nfs/dbraw/zinc/60/57/34/1022605734.db2.gz AYGJLUGIJAXFKH-UHFFFAOYSA-N 1 2 341.402 3.631 20 30 EHEDLO CNC(=O)c1cccc(CC/[NH+]=C\c2c(O)ccc3ccccc32)c1 ZINC000255396538 1022639336 /nfs/dbraw/zinc/63/93/36/1022639336.db2.gz IXUYKAUGVABKPH-UCQKPKSFSA-N 1 2 332.403 3.567 20 30 EHEDLO Cc1cc(C)c(NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)[nH+]1 ZINC000331231667 1022764558 /nfs/dbraw/zinc/76/45/58/1022764558.db2.gz IJXAXMSZXYFRTD-AWEZNQCLSA-N 1 2 335.448 3.699 20 30 EHEDLO Cc1cc(C)c(NC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)c(C)[nH+]1 ZINC000331321197 1022786596 /nfs/dbraw/zinc/78/65/96/1022786596.db2.gz KVUYTAZJRSYNAH-UHFFFAOYSA-N 1 2 347.459 3.606 20 30 EHEDLO CC[N@@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C[C@@H](C)C#N ZINC000091983281 1023194322 /nfs/dbraw/zinc/19/43/22/1023194322.db2.gz SKOJRXNLFUSJBE-HNNXBMFYSA-N 1 2 343.471 3.966 20 30 EHEDLO CC[N@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C[C@@H](C)C#N ZINC000091983281 1023194329 /nfs/dbraw/zinc/19/43/29/1023194329.db2.gz SKOJRXNLFUSJBE-HNNXBMFYSA-N 1 2 343.471 3.966 20 30 EHEDLO N#Cc1csc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)n1 ZINC000449726435 1033116142 /nfs/dbraw/zinc/11/61/42/1033116142.db2.gz LEHSGSYODFBIRS-UHFFFAOYSA-N 1 2 333.407 3.748 20 30 EHEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994447 1024000470 /nfs/dbraw/zinc/00/04/70/1024000470.db2.gz IBZMVILPQMWMHC-IBGZPJMESA-N 1 2 331.423 3.660 20 30 EHEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994447 1024000486 /nfs/dbraw/zinc/00/04/86/1024000486.db2.gz IBZMVILPQMWMHC-IBGZPJMESA-N 1 2 331.423 3.660 20 30 EHEDLO C=CCC[N@@H+](C)Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000639091693 1024065216 /nfs/dbraw/zinc/06/52/16/1024065216.db2.gz RTAHEIDGCHPOPU-UHFFFAOYSA-N 1 2 345.468 3.844 20 30 EHEDLO C=CCC[N@H+](C)Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000639091693 1024065228 /nfs/dbraw/zinc/06/52/28/1024065228.db2.gz RTAHEIDGCHPOPU-UHFFFAOYSA-N 1 2 345.468 3.844 20 30 EHEDLO Cc1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc2ccccc12 ZINC000170970418 1024154701 /nfs/dbraw/zinc/15/47/01/1024154701.db2.gz IFSMLQHLQFJSGD-UHFFFAOYSA-N 1 2 328.419 3.975 20 30 EHEDLO Cc1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc2ccccc12 ZINC000170970418 1024154707 /nfs/dbraw/zinc/15/47/07/1024154707.db2.gz IFSMLQHLQFJSGD-UHFFFAOYSA-N 1 2 328.419 3.975 20 30 EHEDLO CO[C@@](C)(C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000329751602 1024178843 /nfs/dbraw/zinc/17/88/43/1024178843.db2.gz VSIVGEPIOUVNPE-SJKOYZFVSA-N 1 2 337.489 3.778 20 30 EHEDLO CO[C@@](C)(C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000329751602 1024178844 /nfs/dbraw/zinc/17/88/44/1024178844.db2.gz VSIVGEPIOUVNPE-SJKOYZFVSA-N 1 2 337.489 3.778 20 30 EHEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000134843056 1024181837 /nfs/dbraw/zinc/18/18/37/1024181837.db2.gz SJQSXLSRBHHQRG-OALUTQOASA-N 1 2 349.478 3.647 20 30 EHEDLO O=C(NC[C@@H]1CCC2(CCCCC2)O1)Nc1ccn2cc[nH+]c2c1 ZINC000329771707 1024187548 /nfs/dbraw/zinc/18/75/48/1024187548.db2.gz GXTXJOACOOWBSH-HNNXBMFYSA-N 1 2 328.416 3.542 20 30 EHEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329983355 1024274281 /nfs/dbraw/zinc/27/42/81/1024274281.db2.gz BCIFKWARVYVBNS-YESZJQIVSA-N 1 2 326.444 3.697 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@H]1c1ccccc1 ZINC000330293809 1024439987 /nfs/dbraw/zinc/43/99/87/1024439987.db2.gz ICBOOHDCVAJQRH-MSOLQXFVSA-N 1 2 338.455 3.729 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000425257052 1024534209 /nfs/dbraw/zinc/53/42/09/1024534209.db2.gz SRBOLZJGTDFMRM-SHTZXODSSA-N 1 2 337.383 3.697 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000346273921 1024564143 /nfs/dbraw/zinc/56/41/43/1024564143.db2.gz IZFJCXUESWKGQE-ZDUSSCGKSA-N 1 2 345.424 3.672 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000346273921 1024564149 /nfs/dbraw/zinc/56/41/49/1024564149.db2.gz IZFJCXUESWKGQE-ZDUSSCGKSA-N 1 2 345.424 3.672 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001141816887 1024601779 /nfs/dbraw/zinc/60/17/79/1024601779.db2.gz OCIKMXDKGFWOSY-CQSZACIVSA-N 1 2 349.272 3.569 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001141816887 1024601788 /nfs/dbraw/zinc/60/17/88/1024601788.db2.gz OCIKMXDKGFWOSY-CQSZACIVSA-N 1 2 349.272 3.569 20 30 EHEDLO N#Cc1cc(C[N@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cs1 ZINC000895587080 1024633722 /nfs/dbraw/zinc/63/37/22/1024633722.db2.gz HJSATOBVZDFCRU-LJQANCHMSA-N 1 2 338.432 3.620 20 30 EHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cs1 ZINC000895587080 1024633731 /nfs/dbraw/zinc/63/37/31/1024633731.db2.gz HJSATOBVZDFCRU-LJQANCHMSA-N 1 2 338.432 3.620 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1[C@@H]1CCCO1 ZINC000514764587 1024736156 /nfs/dbraw/zinc/73/61/56/1024736156.db2.gz UTWZMIZGIUMFBF-HOTGVXAUSA-N 1 2 338.373 3.966 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1[C@@H]1CCCO1 ZINC000514764587 1024736170 /nfs/dbraw/zinc/73/61/70/1024736170.db2.gz UTWZMIZGIUMFBF-HOTGVXAUSA-N 1 2 338.373 3.966 20 30 EHEDLO CCn1c[nH+]cc1CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000425367539 1024875332 /nfs/dbraw/zinc/87/53/32/1024875332.db2.gz UAFKICKAFPXLHA-ZDUSSCGKSA-N 1 2 336.361 3.836 20 30 EHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000602897293 1033249666 /nfs/dbraw/zinc/24/96/66/1033249666.db2.gz WBELCPFJPGBVAQ-UHFFFAOYSA-N 1 2 342.424 3.604 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1cccc(C#N)c1 ZINC000521095210 1025209264 /nfs/dbraw/zinc/20/92/64/1025209264.db2.gz BJAJZRDTRSMXMF-UHFFFAOYSA-N 1 2 345.446 3.674 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1cccc(C#N)c1 ZINC000521095210 1025209273 /nfs/dbraw/zinc/20/92/73/1025209273.db2.gz BJAJZRDTRSMXMF-UHFFFAOYSA-N 1 2 345.446 3.674 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccccc1 ZINC000027775264 1025213878 /nfs/dbraw/zinc/21/38/78/1025213878.db2.gz PIWAOAJSWZCRFL-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccccc1 ZINC000027775264 1025213888 /nfs/dbraw/zinc/21/38/88/1025213888.db2.gz PIWAOAJSWZCRFL-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000436266914 1025508480 /nfs/dbraw/zinc/50/84/80/1025508480.db2.gz ZLSDFJLEBJNTDF-UHFFFAOYSA-N 1 2 340.471 3.682 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC=C(C)C2)c1C#N ZINC000436266914 1025508490 /nfs/dbraw/zinc/50/84/90/1025508490.db2.gz ZLSDFJLEBJNTDF-UHFFFAOYSA-N 1 2 340.471 3.682 20 30 EHEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)nc1 ZINC000934341744 1025540782 /nfs/dbraw/zinc/54/07/82/1025540782.db2.gz PYHQQIDOMCNQOX-GOSISDBHSA-N 1 2 327.815 3.952 20 30 EHEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)nc1 ZINC000934341744 1025540798 /nfs/dbraw/zinc/54/07/98/1025540798.db2.gz PYHQQIDOMCNQOX-GOSISDBHSA-N 1 2 327.815 3.952 20 30 EHEDLO Cc1ccnc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)c1 ZINC000425541337 1025694734 /nfs/dbraw/zinc/69/47/34/1025694734.db2.gz WQOZQQYICYPFAL-CQSZACIVSA-N 1 2 333.395 3.505 20 30 EHEDLO Cc1ccnc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)c1 ZINC000425541337 1025694742 /nfs/dbraw/zinc/69/47/42/1025694742.db2.gz WQOZQQYICYPFAL-CQSZACIVSA-N 1 2 333.395 3.505 20 30 EHEDLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329483962 1025910912 /nfs/dbraw/zinc/91/09/12/1025910912.db2.gz FLPPQYFAVJOTFB-MRXNPFEDSA-N 1 2 327.432 3.619 20 30 EHEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505774 1025935716 /nfs/dbraw/zinc/93/57/16/1025935716.db2.gz ZKVDIKFBGCOQFA-HOCLYGCPSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505774 1025935726 /nfs/dbraw/zinc/93/57/26/1025935726.db2.gz ZKVDIKFBGCOQFA-HOCLYGCPSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)n1 ZINC000329505774 1025935733 /nfs/dbraw/zinc/93/57/33/1025935733.db2.gz ZKVDIKFBGCOQFA-HOCLYGCPSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)n1 ZINC000329505774 1025935738 /nfs/dbraw/zinc/93/57/38/1025935738.db2.gz ZKVDIKFBGCOQFA-HOCLYGCPSA-N 1 2 341.459 3.586 20 30 EHEDLO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccncc1F ZINC000338354503 1026024943 /nfs/dbraw/zinc/02/49/43/1026024943.db2.gz JEPRHFOETYCPDF-SNVBAGLBSA-N 1 2 334.192 3.706 20 30 EHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338937472 1026281706 /nfs/dbraw/zinc/28/17/06/1026281706.db2.gz WRBVDMZLXRHTMA-UHFFFAOYSA-N 1 2 325.368 3.583 20 30 EHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338937472 1026281714 /nfs/dbraw/zinc/28/17/14/1026281714.db2.gz WRBVDMZLXRHTMA-UHFFFAOYSA-N 1 2 325.368 3.583 20 30 EHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451881377 1026350367 /nfs/dbraw/zinc/35/03/67/1026350367.db2.gz POTHAGVRFJQRQI-GFCCVEGCSA-N 1 2 345.796 3.528 20 30 EHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451881377 1026350375 /nfs/dbraw/zinc/35/03/75/1026350375.db2.gz POTHAGVRFJQRQI-GFCCVEGCSA-N 1 2 345.796 3.528 20 30 EHEDLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000451964942 1026402379 /nfs/dbraw/zinc/40/23/79/1026402379.db2.gz CEIIHTIABFLLRB-MRXNPFEDSA-N 1 2 343.427 3.843 20 30 EHEDLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000451964942 1026402385 /nfs/dbraw/zinc/40/23/85/1026402385.db2.gz CEIIHTIABFLLRB-MRXNPFEDSA-N 1 2 343.427 3.843 20 30 EHEDLO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000121278157 1026589664 /nfs/dbraw/zinc/58/96/64/1026589664.db2.gz LUZSJCABXZHBRX-OAQYLSRUSA-N 1 2 329.403 3.841 20 30 EHEDLO C=CC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000628406744 1026905460 /nfs/dbraw/zinc/90/54/60/1026905460.db2.gz PVKYEYJQYPLKHN-CYBMUJFWSA-N 1 2 327.877 3.532 20 30 EHEDLO C=CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000628406744 1026905472 /nfs/dbraw/zinc/90/54/72/1026905472.db2.gz PVKYEYJQYPLKHN-CYBMUJFWSA-N 1 2 327.877 3.532 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1C)Cc1ccc(OC)cc1 ZINC000054272083 1026995782 /nfs/dbraw/zinc/99/57/82/1026995782.db2.gz XWINULGACUZGKM-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)Cc1ccc(OC)cc1 ZINC000054272083 1026995789 /nfs/dbraw/zinc/99/57/89/1026995789.db2.gz XWINULGACUZGKM-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO N#Cc1ccsc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000101821352 1027253878 /nfs/dbraw/zinc/25/38/78/1027253878.db2.gz XUBBDNQTBPRCTD-UHFFFAOYSA-N 1 2 328.784 3.711 20 30 EHEDLO Cc1occc1C[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000055052636 1028255330 /nfs/dbraw/zinc/25/53/30/1028255330.db2.gz AQIKEOAQPYOGFH-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO Cc1occc1C[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000055052636 1028255345 /nfs/dbraw/zinc/25/53/45/1028255345.db2.gz AQIKEOAQPYOGFH-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245618227 1028930902 /nfs/dbraw/zinc/93/09/02/1028930902.db2.gz VZCXFRDMULUWDM-SJLPKXTDSA-N 1 2 336.838 3.534 20 30 EHEDLO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245618227 1028930909 /nfs/dbraw/zinc/93/09/09/1028930909.db2.gz VZCXFRDMULUWDM-SJLPKXTDSA-N 1 2 336.838 3.534 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000424636908 1029199763 /nfs/dbraw/zinc/19/97/63/1029199763.db2.gz BKYWNMJXXSPRIS-INIZCTEOSA-N 1 2 330.472 3.503 20 30 EHEDLO Cc1cc(C)c(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)c[nH+]1 ZINC000455579060 1029206109 /nfs/dbraw/zinc/20/61/09/1029206109.db2.gz VQMDGMMMMOGXGH-IBGZPJMESA-N 1 2 336.439 3.933 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000245792835 1029309601 /nfs/dbraw/zinc/30/96/01/1029309601.db2.gz WNABXDQWNYIFRX-FOIQADDNSA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000245792835 1029309617 /nfs/dbraw/zinc/30/96/17/1029309617.db2.gz WNABXDQWNYIFRX-FOIQADDNSA-N 1 2 340.398 3.690 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000505282517 1029436960 /nfs/dbraw/zinc/43/69/60/1029436960.db2.gz APWUPEOGYJMYFQ-OLEQZPESSA-N 1 2 335.426 3.721 20 30 EHEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)s1 ZINC000078811399 1029473871 /nfs/dbraw/zinc/47/38/71/1029473871.db2.gz RJWIMOWWRNOPIP-UHFFFAOYSA-N 1 2 339.892 3.566 20 30 EHEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)s1 ZINC000078811399 1029473879 /nfs/dbraw/zinc/47/38/79/1029473879.db2.gz RJWIMOWWRNOPIP-UHFFFAOYSA-N 1 2 339.892 3.566 20 30 EHEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000583373410 1029733388 /nfs/dbraw/zinc/73/33/88/1029733388.db2.gz YOOLWRRQBAONKO-QMMMGPOBSA-N 1 2 331.231 3.797 20 30 EHEDLO Fc1cc(C(F)(F)F)c(F)cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000583373410 1029733380 /nfs/dbraw/zinc/73/33/80/1029733380.db2.gz YOOLWRRQBAONKO-QMMMGPOBSA-N 1 2 331.231 3.797 20 30 EHEDLO C[C@@H](C#N)C[N@H+](CCOc1cc(F)cc(Br)c1)C1CC1 ZINC000525833413 1030159579 /nfs/dbraw/zinc/15/95/79/1030159579.db2.gz QUHJHULBQKHKBA-NSHDSACASA-N 1 2 341.224 3.591 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](CCOc1cc(F)cc(Br)c1)C1CC1 ZINC000525833413 1030159586 /nfs/dbraw/zinc/15/95/86/1030159586.db2.gz QUHJHULBQKHKBA-NSHDSACASA-N 1 2 341.224 3.591 20 30 EHEDLO C=C[C@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343330675 1030321841 /nfs/dbraw/zinc/32/18/41/1030321841.db2.gz IHDGXJIVTAOAEN-QGZVFWFLSA-N 1 2 332.407 3.625 20 30 EHEDLO COc1cccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)c1 ZINC000448151357 1030772295 /nfs/dbraw/zinc/77/22/95/1030772295.db2.gz MUMJVXBVWBYFEZ-UHFFFAOYSA-N 1 2 340.854 3.522 20 30 EHEDLO N#Cc1cc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)ccc1F ZINC000160633012 1030913699 /nfs/dbraw/zinc/91/36/99/1030913699.db2.gz JUJBVWCQJITAIQ-UHFFFAOYSA-N 1 2 341.405 3.544 20 30 EHEDLO N#Cc1cc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)ccc1F ZINC000160633012 1030913714 /nfs/dbraw/zinc/91/37/14/1030913714.db2.gz JUJBVWCQJITAIQ-UHFFFAOYSA-N 1 2 341.405 3.544 20 30 EHEDLO CCCc1ccc([C@@H](C)[N@H+](CC#Cc2ccccc2)CC(N)=O)cc1 ZINC000484087366 1031456428 /nfs/dbraw/zinc/45/64/28/1031456428.db2.gz WXZUJUOHRAPQQD-GOSISDBHSA-N 1 2 334.463 3.539 20 30 EHEDLO CCCc1ccc([C@@H](C)[N@@H+](CC#Cc2ccccc2)CC(N)=O)cc1 ZINC000484087366 1031456430 /nfs/dbraw/zinc/45/64/30/1031456430.db2.gz WXZUJUOHRAPQQD-GOSISDBHSA-N 1 2 334.463 3.539 20 30 EHEDLO CCOc1cccc(CNc2cc(CC#N)cc[nH+]2)c1OC(F)F ZINC000545219934 1033413891 /nfs/dbraw/zinc/41/38/91/1033413891.db2.gz PVYSENQTFPMFBH-UHFFFAOYSA-N 1 2 333.338 3.760 20 30 EHEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000598948624 1033586368 /nfs/dbraw/zinc/58/63/68/1033586368.db2.gz IARVJASNBWRDCY-OAHLLOKOSA-N 1 2 333.435 3.831 20 30 EHEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000598948624 1033586371 /nfs/dbraw/zinc/58/63/71/1033586371.db2.gz IARVJASNBWRDCY-OAHLLOKOSA-N 1 2 333.435 3.831 20 30 EHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000255616148 1033653898 /nfs/dbraw/zinc/65/38/98/1033653898.db2.gz XVEVGWIEPOQISD-HJWRWDBZSA-N 1 2 327.181 3.993 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000595615279 1033927914 /nfs/dbraw/zinc/92/79/14/1033927914.db2.gz PQYJOHKQMSYYSR-ZDUSSCGKSA-N 1 2 341.436 3.664 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000595615279 1033927930 /nfs/dbraw/zinc/92/79/30/1033927930.db2.gz PQYJOHKQMSYYSR-ZDUSSCGKSA-N 1 2 341.436 3.664 20 30 EHEDLO C[C@H](CCN1Cc2cccc(C#N)c2C1)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593127378 1034017948 /nfs/dbraw/zinc/01/79/48/1034017948.db2.gz ONNVHCSNEJMJNE-MRXNPFEDSA-N 1 2 342.446 3.540 20 30 EHEDLO C[C@H](CCN1Cc2cccc(C#N)c2C1)[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593127378 1034017963 /nfs/dbraw/zinc/01/79/63/1034017963.db2.gz ONNVHCSNEJMJNE-MRXNPFEDSA-N 1 2 342.446 3.540 20 30 EHEDLO C[C@H](CC[N@@H+]1Cc2cccc(C#N)c2C1)N1Cc2cccc(C#N)c2C1 ZINC000593127378 1034017976 /nfs/dbraw/zinc/01/79/76/1034017976.db2.gz ONNVHCSNEJMJNE-MRXNPFEDSA-N 1 2 342.446 3.540 20 30 EHEDLO C[C@H](CC[N@H+]1Cc2cccc(C#N)c2C1)N1Cc2cccc(C#N)c2C1 ZINC000593127378 1034017992 /nfs/dbraw/zinc/01/79/92/1034017992.db2.gz ONNVHCSNEJMJNE-MRXNPFEDSA-N 1 2 342.446 3.540 20 30 EHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000450317576 1034101784 /nfs/dbraw/zinc/10/17/84/1034101784.db2.gz TZTGERIEBFCNQS-MSOLQXFVSA-N 1 2 348.437 3.963 20 30 EHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000450317576 1034101793 /nfs/dbraw/zinc/10/17/93/1034101793.db2.gz TZTGERIEBFCNQS-MSOLQXFVSA-N 1 2 348.437 3.963 20 30 EHEDLO N#CCCCOc1cccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000529666598 1034389911 /nfs/dbraw/zinc/38/99/11/1034389911.db2.gz YCAPPOJYETWONF-UHFFFAOYSA-N 1 2 348.450 3.595 20 30 EHEDLO N#CCCCOc1cccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000529666598 1034389925 /nfs/dbraw/zinc/38/99/25/1034389925.db2.gz YCAPPOJYETWONF-UHFFFAOYSA-N 1 2 348.450 3.595 20 30 EHEDLO COCC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000179553295 1034496072 /nfs/dbraw/zinc/49/60/72/1034496072.db2.gz DCRBIOJIWHDXEE-UHFFFAOYSA-N 1 2 346.434 3.597 20 30 EHEDLO COCC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000179553295 1034496078 /nfs/dbraw/zinc/49/60/78/1034496078.db2.gz DCRBIOJIWHDXEE-UHFFFAOYSA-N 1 2 346.434 3.597 20 30 EHEDLO COCC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(C#N)cc1 ZINC000179553295 1034496087 /nfs/dbraw/zinc/49/60/87/1034496087.db2.gz DCRBIOJIWHDXEE-UHFFFAOYSA-N 1 2 346.434 3.597 20 30 EHEDLO COCC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(C#N)cc1 ZINC000179553295 1034496092 /nfs/dbraw/zinc/49/60/92/1034496092.db2.gz DCRBIOJIWHDXEE-UHFFFAOYSA-N 1 2 346.434 3.597 20 30 EHEDLO COc1cc(C)[nH+]c(CSc2nc3c(c(C)c2C#N)CCC3)c1 ZINC000534519769 1034624400 /nfs/dbraw/zinc/62/44/00/1034624400.db2.gz AOGQSVOFVKHWIN-UHFFFAOYSA-N 1 2 325.437 3.755 20 30 EHEDLO Cc1cccn2c(CN=Nc3nc(C(F)(F)F)cs3)c[nH+]c12 ZINC000755771452 1034681369 /nfs/dbraw/zinc/68/13/69/1034681369.db2.gz SXDLGGZRPLRDDI-UHFFFAOYSA-N 1 2 325.319 3.564 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406492 1034889009 /nfs/dbraw/zinc/88/90/09/1034889009.db2.gz NODBOLZVRYYGNX-LJQANCHMSA-N 1 2 344.409 3.893 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406492 1034889015 /nfs/dbraw/zinc/88/90/15/1034889015.db2.gz NODBOLZVRYYGNX-LJQANCHMSA-N 1 2 344.409 3.893 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000162269058 1035209770 /nfs/dbraw/zinc/20/97/70/1035209770.db2.gz OSNHTRKFWZQRGE-UHFFFAOYSA-N 1 2 346.774 3.938 20 30 EHEDLO C=CC[N@@H+](CCCS(=O)(=O)c1cccc(C)c1)Cc1ccccc1 ZINC000463482499 1035549775 /nfs/dbraw/zinc/54/97/75/1035549775.db2.gz UDQSPQTUEOKCLB-UHFFFAOYSA-N 1 2 343.492 3.847 20 30 EHEDLO C=CC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)Cc1ccccc1 ZINC000463482499 1035549780 /nfs/dbraw/zinc/54/97/80/1035549780.db2.gz UDQSPQTUEOKCLB-UHFFFAOYSA-N 1 2 343.492 3.847 20 30 EHEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC000587986895 1035660606 /nfs/dbraw/zinc/66/06/06/1035660606.db2.gz VYCBCODAFKULPN-CYBMUJFWSA-N 1 2 346.887 3.860 20 30 EHEDLO N#CCC[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)CC1CC1 ZINC000187113536 1035765943 /nfs/dbraw/zinc/76/59/43/1035765943.db2.gz HEPPCJWTSVUGLG-UHFFFAOYSA-N 1 2 339.414 3.925 20 30 EHEDLO N#CCC[N@H+](Cc1ccc(OCc2ccccc2F)nc1)CC1CC1 ZINC000187113536 1035765962 /nfs/dbraw/zinc/76/59/62/1035765962.db2.gz HEPPCJWTSVUGLG-UHFFFAOYSA-N 1 2 339.414 3.925 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000540915333 1035801985 /nfs/dbraw/zinc/80/19/85/1035801985.db2.gz OOFQVOIKFLHITJ-UHFFFAOYSA-N 1 2 343.814 3.813 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000540915333 1035802008 /nfs/dbraw/zinc/80/20/08/1035802008.db2.gz OOFQVOIKFLHITJ-UHFFFAOYSA-N 1 2 343.814 3.813 20 30 EHEDLO COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000541350103 1036226242 /nfs/dbraw/zinc/22/62/42/1036226242.db2.gz ULYSKQQAFXFREW-WOJBJXKFSA-N 1 2 334.419 3.745 20 30 EHEDLO COC(=O)c1ccccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000541350103 1036226254 /nfs/dbraw/zinc/22/62/54/1036226254.db2.gz ULYSKQQAFXFREW-WOJBJXKFSA-N 1 2 334.419 3.745 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000590954642 1037139822 /nfs/dbraw/zinc/13/98/22/1037139822.db2.gz DXXCWDHLOFUHGW-UHFFFAOYSA-N 1 2 325.343 3.775 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1F ZINC000491351894 1037412554 /nfs/dbraw/zinc/41/25/54/1037412554.db2.gz WJPQZRLJWOYZTQ-GOSISDBHSA-N 1 2 330.790 3.902 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1OC)c1ccc(Cl)cc1 ZINC000491428481 1037454006 /nfs/dbraw/zinc/45/40/06/1037454006.db2.gz PDXTWIPVNYFMSF-MRXNPFEDSA-N 1 2 345.826 3.830 20 30 EHEDLO C[C@@H](NC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC000491508628 1037530261 /nfs/dbraw/zinc/53/02/61/1037530261.db2.gz YSXMKIYVBYSAIF-BDJZEXMMSA-N 1 2 342.402 3.635 20 30 EHEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000532560651 1037643751 /nfs/dbraw/zinc/64/37/51/1037643751.db2.gz VDTHBVNATHRJSE-NVAPOSRTSA-N 1 2 331.463 3.950 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccc(Cl)cc1 ZINC000491758646 1037673580 /nfs/dbraw/zinc/67/35/80/1037673580.db2.gz ITGPERYQTDEXPY-OAHLLOKOSA-N 1 2 335.632 3.962 20 30 EHEDLO N#Cc1cnccc1C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000592124582 1037836877 /nfs/dbraw/zinc/83/68/77/1037836877.db2.gz DYSQYLXNQRZZDR-UHFFFAOYSA-N 1 2 333.313 3.631 20 30 EHEDLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000123727960 1038066421 /nfs/dbraw/zinc/06/64/21/1038066421.db2.gz XZVKYCBZBMYINI-NEPJUHHUSA-N 1 2 345.258 3.732 20 30 EHEDLO O[C@@H]([C@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000123727960 1038066441 /nfs/dbraw/zinc/06/64/41/1038066441.db2.gz XZVKYCBZBMYINI-NEPJUHHUSA-N 1 2 345.258 3.732 20 30 EHEDLO C=CCOc1ccc(C[N@@H+](C)C(C)(C)C(=O)OCC)cc1Cl ZINC000552256285 1039115028 /nfs/dbraw/zinc/11/50/28/1039115028.db2.gz BMABDUMNHZPMIN-UHFFFAOYSA-N 1 2 325.836 3.678 20 30 EHEDLO C=CCOc1ccc(C[N@H+](C)C(C)(C)C(=O)OCC)cc1Cl ZINC000552256285 1039115038 /nfs/dbraw/zinc/11/50/38/1039115038.db2.gz BMABDUMNHZPMIN-UHFFFAOYSA-N 1 2 325.836 3.678 20 30 EHEDLO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)c2ccc(F)cc2)cc1 ZINC000554363930 1039268901 /nfs/dbraw/zinc/26/89/01/1039268901.db2.gz UMSIHURUSFAGQD-OAQYLSRUSA-N 1 2 347.393 3.980 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(F)F)CC1 ZINC000486137936 1039924114 /nfs/dbraw/zinc/92/41/14/1039924114.db2.gz OFHXWNIHTBBXPV-UHFFFAOYSA-N 1 2 340.439 3.880 20 30 EHEDLO C=CCC1(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CCCC1 ZINC000912521572 1039959750 /nfs/dbraw/zinc/95/97/50/1039959750.db2.gz KIBXUKOYIXOWLN-UHFFFAOYSA-N 1 2 338.455 3.614 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N(CC)c1nc2ccccc2s1 ZINC000489493579 1040035978 /nfs/dbraw/zinc/03/59/78/1040035978.db2.gz HXGABXTVSWOEHI-AWEZNQCLSA-N 1 2 329.469 3.690 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(CC)c1nc2ccccc2s1 ZINC000489493579 1040035995 /nfs/dbraw/zinc/03/59/95/1040035995.db2.gz HXGABXTVSWOEHI-AWEZNQCLSA-N 1 2 329.469 3.690 20 30 EHEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489539283 1040060420 /nfs/dbraw/zinc/06/04/20/1040060420.db2.gz RNBINZDGKMJNGF-CVEARBPZSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489539283 1040060436 /nfs/dbraw/zinc/06/04/36/1040060436.db2.gz RNBINZDGKMJNGF-CVEARBPZSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C1CC(C)(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907810629 1040178524 /nfs/dbraw/zinc/17/85/24/1040178524.db2.gz PTBZTWQYMOGUDM-HNNXBMFYSA-N 1 2 327.472 3.787 20 30 EHEDLO C=C1CC(C)(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907810629 1040178539 /nfs/dbraw/zinc/17/85/39/1040178539.db2.gz PTBZTWQYMOGUDM-HNNXBMFYSA-N 1 2 327.472 3.787 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@](C)(C#N)C3)o2)cc1 ZINC000614247814 1040828236 /nfs/dbraw/zinc/82/82/36/1040828236.db2.gz CQKQLJJPQYNBRR-HXUWFJFHSA-N 1 2 338.407 3.859 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@](C)(C#N)C3)o2)cc1 ZINC000614247814 1040828256 /nfs/dbraw/zinc/82/82/56/1040828256.db2.gz CQKQLJJPQYNBRR-HXUWFJFHSA-N 1 2 338.407 3.859 20 30 EHEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(C(=O)OCC)cn1)c1ccc(F)c(F)c1 ZINC000411553045 1040987930 /nfs/dbraw/zinc/98/79/30/1040987930.db2.gz HVJVLZYORCZLEA-GOSISDBHSA-N 1 2 346.377 3.944 20 30 EHEDLO CC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000661936715 1042417740 /nfs/dbraw/zinc/41/77/40/1042417740.db2.gz NIOOEUZTOSSUCM-KRWDZBQOSA-N 1 2 342.874 3.750 20 30 EHEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000609486896 1042983701 /nfs/dbraw/zinc/98/37/01/1042983701.db2.gz UASXNZIXFWTHLO-SFHVURJKSA-N 1 2 342.874 3.554 20 30 EHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@H]2CC[C@H](C#N)CC2)[nH+]1 ZINC001167845140 1043253547 /nfs/dbraw/zinc/25/35/47/1043253547.db2.gz ZFNANJYONHKWCT-KTFKFGNISA-N 1 2 346.500 3.765 20 30 EHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(C2CC2)n1 ZINC000344102573 1043253807 /nfs/dbraw/zinc/25/38/07/1043253807.db2.gz FUKKUVPWWMNNLN-UHFFFAOYSA-N 1 2 327.453 3.541 20 30 EHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(C2CC2)n1 ZINC000344102573 1043253822 /nfs/dbraw/zinc/25/38/22/1043253822.db2.gz FUKKUVPWWMNNLN-UHFFFAOYSA-N 1 2 327.453 3.541 20 30 EHEDLO C=CCC(C)(C)CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000432558037 1044260554 /nfs/dbraw/zinc/26/05/54/1044260554.db2.gz OEWGLNZGRSTRSR-UHFFFAOYSA-N 1 2 332.492 3.687 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3cccs3)C3CC3)o2)c1 ZINC000075597146 1126732789 /nfs/dbraw/zinc/73/27/89/1126732789.db2.gz IUTDZIKVYZPDRF-UHFFFAOYSA-N 1 2 336.420 3.834 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3cccs3)C3CC3)o2)c1 ZINC000075597146 1126732793 /nfs/dbraw/zinc/73/27/93/1126732793.db2.gz IUTDZIKVYZPDRF-UHFFFAOYSA-N 1 2 336.420 3.834 20 30 EHEDLO Cc1cc([C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CCO2)ccc1F ZINC000764485330 1127500031 /nfs/dbraw/zinc/50/00/31/1127500031.db2.gz PNMGPQYGOAJIGH-FQEVSTJZSA-N 1 2 340.398 3.610 20 30 EHEDLO Cc1cc([C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CCO2)ccc1F ZINC000764485330 1127500032 /nfs/dbraw/zinc/50/00/32/1127500032.db2.gz PNMGPQYGOAJIGH-FQEVSTJZSA-N 1 2 340.398 3.610 20 30 EHEDLO CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000282304166 1128559410 /nfs/dbraw/zinc/55/94/10/1128559410.db2.gz GNZHNEAQXLLVHJ-UHFFFAOYSA-N 1 2 336.461 3.616 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1F ZINC000404072109 1128676195 /nfs/dbraw/zinc/67/61/95/1128676195.db2.gz MAAPAKXZWRJMOO-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(Cl)cc1 ZINC000075621256 1128870879 /nfs/dbraw/zinc/87/08/79/1128870879.db2.gz XQJSGQPBZLUZAS-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(Cl)cc1 ZINC000075621256 1128870883 /nfs/dbraw/zinc/87/08/83/1128870883.db2.gz XQJSGQPBZLUZAS-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccc(C#N)c1 ZINC000272227918 1121096651 /nfs/dbraw/zinc/09/66/51/1121096651.db2.gz HDEKOBDGUJVGAL-OAGGEKHMSA-N 1 2 336.439 3.740 20 30 EHEDLO CC(C)(C)OC(=O)N1CC(C/[NH+]=C\c2c(O)ccc3ccccc32)C1 ZINC000762436367 1121298220 /nfs/dbraw/zinc/29/82/20/1121298220.db2.gz MVQCJUGLSDZWBW-NHDPSOOVSA-N 1 2 340.423 3.831 20 30 EHEDLO Cc1ccc(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000917026475 1122443628 /nfs/dbraw/zinc/44/36/28/1122443628.db2.gz ZVTADHUEQNODCO-UHFFFAOYSA-N 1 2 349.463 3.810 20 30 EHEDLO C[C@@H]([N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098984 1122493032 /nfs/dbraw/zinc/49/30/32/1122493032.db2.gz YFLPLUSMDCIGRQ-CHWSQXEVSA-N 1 2 329.469 3.839 20 30 EHEDLO C[C@@H]([N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098984 1122493036 /nfs/dbraw/zinc/49/30/36/1122493036.db2.gz YFLPLUSMDCIGRQ-CHWSQXEVSA-N 1 2 329.469 3.839 20 30 EHEDLO COc1ccc(O)c(/C=[NH+]\CCCCOCCc2ccccc2)c1 ZINC000917556799 1122636813 /nfs/dbraw/zinc/63/68/13/1122636813.db2.gz NABACHLVOPIAAA-PGMHBOJBSA-N 1 2 327.424 3.859 20 30 EHEDLO COc1cccc(/C=[NH+]/CCCCOCCc2ccccc2)c1O ZINC000917557147 1122636918 /nfs/dbraw/zinc/63/69/18/1122636918.db2.gz ZEDHXCMMZDCYEK-LTGZKZEYSA-N 1 2 327.424 3.859 20 30 EHEDLO CC(C)n1ncc2cc(C[N@H+](C)Cc3cc(C#N)ccc3F)cnc21 ZINC000154868507 1122951626 /nfs/dbraw/zinc/95/16/26/1122951626.db2.gz YUOZYDNJFBRQDZ-UHFFFAOYSA-N 1 2 337.402 3.655 20 30 EHEDLO CC(C)n1ncc2cc(C[N@@H+](C)Cc3cc(C#N)ccc3F)cnc21 ZINC000154868507 1122951629 /nfs/dbraw/zinc/95/16/29/1122951629.db2.gz YUOZYDNJFBRQDZ-UHFFFAOYSA-N 1 2 337.402 3.655 20 30 EHEDLO CCC1CC(=O)C(=CNc2ccc([NH+]3CCCCC3)cc2)C(=O)C1 ZINC000920975334 1123449163 /nfs/dbraw/zinc/44/91/63/1123449163.db2.gz DOQDLZLHIFCVIR-UHFFFAOYSA-N 1 2 326.440 3.931 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCc3sccc3C2)c(C#N)c1C ZINC000609323359 1123460966 /nfs/dbraw/zinc/46/09/66/1123460966.db2.gz BAIGKWYOLRYMEA-GFCCVEGCSA-N 1 2 343.452 3.605 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCc3sccc3C2)c(C#N)c1C ZINC000609323359 1123460969 /nfs/dbraw/zinc/46/09/69/1123460969.db2.gz BAIGKWYOLRYMEA-GFCCVEGCSA-N 1 2 343.452 3.605 20 30 EHEDLO C=CCc1cc(C=NNc2cc[nH+]c3ccccc23)cc(OC)c1O ZINC000730146751 1130678266 /nfs/dbraw/zinc/67/82/66/1130678266.db2.gz FFNMHRSTSZXHJZ-UHFFFAOYSA-N 1 2 333.391 3.545 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000730282572 1130693254 /nfs/dbraw/zinc/69/32/54/1130693254.db2.gz HXHSJKGYPXKOCV-FQEVSTJZSA-N 1 2 340.467 3.572 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000730282572 1130693258 /nfs/dbraw/zinc/69/32/58/1130693258.db2.gz HXHSJKGYPXKOCV-FQEVSTJZSA-N 1 2 340.467 3.572 20 30 EHEDLO CCc1cccc(C)c1NC(=S)N[NH+]=C(C)c1ccc(N)cc1 ZINC000730572513 1130720922 /nfs/dbraw/zinc/72/09/22/1130720922.db2.gz LFMDBYNIGPLVNO-UHFFFAOYSA-N 1 2 326.469 3.850 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CSC(C)C)c1C ZINC000742088234 1131687334 /nfs/dbraw/zinc/68/73/34/1131687334.db2.gz RHWNYGZWLGMPMJ-SFHVURJKSA-N 1 2 330.497 3.673 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CSC(C)C)c1C ZINC000742088234 1131687336 /nfs/dbraw/zinc/68/73/36/1131687336.db2.gz RHWNYGZWLGMPMJ-SFHVURJKSA-N 1 2 330.497 3.673 20 30 EHEDLO C#CC[N@H+](CC#CC)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000743853199 1131986699 /nfs/dbraw/zinc/98/66/99/1131986699.db2.gz XJYNHBOEWSPHBR-UHFFFAOYSA-N 1 2 327.371 3.766 20 30 EHEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000743853199 1131986705 /nfs/dbraw/zinc/98/67/05/1131986705.db2.gz XJYNHBOEWSPHBR-UHFFFAOYSA-N 1 2 327.371 3.766 20 30 EHEDLO C[C@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173594980 1132099556 /nfs/dbraw/zinc/09/95/56/1132099556.db2.gz PDXQODDFXOWMOI-FVWXCPNNSA-N 1 2 342.487 3.659 20 30 EHEDLO C[C@H]1c2ncc(COCC3CC3)n2CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173594980 1132099563 /nfs/dbraw/zinc/09/95/63/1132099563.db2.gz PDXQODDFXOWMOI-FVWXCPNNSA-N 1 2 342.487 3.659 20 30 EHEDLO C=CCn1cnc2c1ncnc2Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174382216 1132345111 /nfs/dbraw/zinc/34/51/11/1132345111.db2.gz FBLADGCLJRTTSL-UHFFFAOYSA-N 1 2 333.399 3.687 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccn(C(C)C)c1=S ZINC000746050630 1132353713 /nfs/dbraw/zinc/35/37/13/1132353713.db2.gz VEHMVWQWTIVHTF-UHFFFAOYSA-N 1 2 344.484 3.578 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccn(C(C)C)c1=S ZINC000746050630 1132353721 /nfs/dbraw/zinc/35/37/21/1132353721.db2.gz VEHMVWQWTIVHTF-UHFFFAOYSA-N 1 2 344.484 3.578 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCc2ccccc2F)c1C#N ZINC000773429339 1132508927 /nfs/dbraw/zinc/50/89/27/1132508927.db2.gz MCPMYFLKUGQKNM-UHFFFAOYSA-N 1 2 348.425 3.866 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2ccccc2F)c1C#N ZINC000773429339 1132508932 /nfs/dbraw/zinc/50/89/32/1132508932.db2.gz MCPMYFLKUGQKNM-UHFFFAOYSA-N 1 2 348.425 3.866 20 30 EHEDLO C#CC[N@@H+](CC)[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000746456736 1132541509 /nfs/dbraw/zinc/54/15/09/1132541509.db2.gz HCNDBDCQZNKQFD-FQEVSTJZSA-N 1 2 336.435 3.639 20 30 EHEDLO C#CC[N@H+](CC)[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000746456736 1132541516 /nfs/dbraw/zinc/54/15/16/1132541516.db2.gz HCNDBDCQZNKQFD-FQEVSTJZSA-N 1 2 336.435 3.639 20 30 EHEDLO C=C(Br)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC001169260625 1132712336 /nfs/dbraw/zinc/71/23/36/1132712336.db2.gz HCZVKGMRHTYROW-UHFFFAOYSA-N 1 2 338.167 3.925 20 30 EHEDLO C=C(Br)C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC001169260625 1132712340 /nfs/dbraw/zinc/71/23/40/1132712340.db2.gz HCZVKGMRHTYROW-UHFFFAOYSA-N 1 2 338.167 3.925 20 30 EHEDLO COc1ccc(C(=NO)Nc2ccc3[nH+]c(C)n(C(C)C)c3c2)nc1 ZINC001169605200 1132792842 /nfs/dbraw/zinc/79/28/42/1132792842.db2.gz MBRWDMZNZTZTJU-UHFFFAOYSA-N 1 2 339.399 3.577 20 30 EHEDLO C[C@@H](C#N)C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)C1CC1 ZINC000769217965 1133246172 /nfs/dbraw/zinc/24/61/72/1133246172.db2.gz QLDUQLOTSQLSLF-HNNXBMFYSA-N 1 2 344.455 3.645 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](CCOc1ccccc1C(=O)OC(C)(C)C)C1CC1 ZINC000769217965 1133246177 /nfs/dbraw/zinc/24/61/77/1133246177.db2.gz QLDUQLOTSQLSLF-HNNXBMFYSA-N 1 2 344.455 3.645 20 30 EHEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000769306793 1133257866 /nfs/dbraw/zinc/25/78/66/1133257866.db2.gz CPQZWTJNYAOPMG-NRFANRHFSA-N 1 2 339.410 3.801 20 30 EHEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000769306793 1133257870 /nfs/dbraw/zinc/25/78/70/1133257870.db2.gz CPQZWTJNYAOPMG-NRFANRHFSA-N 1 2 339.410 3.801 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770393512 1133422307 /nfs/dbraw/zinc/42/23/07/1133422307.db2.gz YUGIZZCBKYBBFA-NRFANRHFSA-N 1 2 334.419 3.697 20 30 EHEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770393512 1133422310 /nfs/dbraw/zinc/42/23/10/1133422310.db2.gz YUGIZZCBKYBBFA-NRFANRHFSA-N 1 2 334.419 3.697 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)CC2c3ccccc3-c3ccccc32)CC1 ZINC001181310731 1133478985 /nfs/dbraw/zinc/47/89/85/1133478985.db2.gz UCCRCDMCSFYPLH-UHFFFAOYSA-N 1 2 332.447 3.519 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2N1CCC([N@H+](C)CC(F)F)CC1 ZINC000771162178 1133513971 /nfs/dbraw/zinc/51/39/71/1133513971.db2.gz IDCDJHCJGAUVHK-UHFFFAOYSA-N 1 2 344.409 3.581 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000771162178 1133513975 /nfs/dbraw/zinc/51/39/75/1133513975.db2.gz IDCDJHCJGAUVHK-UHFFFAOYSA-N 1 2 344.409 3.581 20 30 EHEDLO CC(C)N(CC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830599 1133862754 /nfs/dbraw/zinc/86/27/54/1133862754.db2.gz GBJIEEYRZHNVSP-FQEVSTJZSA-N 1 2 339.483 3.560 20 30 EHEDLO CC(C)N(CC1CC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830599 1133862761 /nfs/dbraw/zinc/86/27/61/1133862761.db2.gz GBJIEEYRZHNVSP-FQEVSTJZSA-N 1 2 339.483 3.560 20 30 EHEDLO Cc1c(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cnn1C(C)C ZINC000787186435 1133971509 /nfs/dbraw/zinc/97/15/09/1133971509.db2.gz BJMPWMQEGMHIKK-SNAWJCMRSA-N 1 2 326.425 3.916 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2N2CCCCC2)n1 ZINC000789759429 1134327509 /nfs/dbraw/zinc/32/75/09/1134327509.db2.gz RUFUVXBSDULJLL-UHFFFAOYSA-N 1 2 336.483 3.529 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2N2CCCCC2)n1 ZINC000789759429 1134327517 /nfs/dbraw/zinc/32/75/17/1134327517.db2.gz RUFUVXBSDULJLL-UHFFFAOYSA-N 1 2 336.483 3.529 20 30 EHEDLO CC(C)[C@@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)[NH+](C)C ZINC000789801180 1134336498 /nfs/dbraw/zinc/33/64/98/1134336498.db2.gz OJPLFYPJIXBFSG-RISCZKNCSA-N 1 2 335.860 3.712 20 30 EHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190075392 1134658157 /nfs/dbraw/zinc/65/81/57/1134658157.db2.gz RPPWEMXEYXETJD-UHFFFAOYSA-N 1 2 333.395 3.553 20 30 EHEDLO C#C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)c1ccc(Cl)cc1F ZINC001129739799 1135149075 /nfs/dbraw/zinc/14/90/75/1135149075.db2.gz YWXGAQBQZDHJDJ-INIZCTEOSA-N 1 2 330.790 3.904 20 30 EHEDLO Cc1nn(C)c2sc(C(=O)/C=C/c3c[nH+]c4cccc(C)n34)cc12 ZINC000806578879 1135455350 /nfs/dbraw/zinc/45/53/50/1135455350.db2.gz NUJPEDCGCPNYEO-BQYQJAHWSA-N 1 2 336.420 3.795 20 30 EHEDLO C=CCC(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181620 1135577523 /nfs/dbraw/zinc/57/75/23/1135577523.db2.gz MPCNTCPUMYQFME-KRWDZBQOSA-N 1 2 341.455 3.805 20 30 EHEDLO C=CCC(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181620 1135577527 /nfs/dbraw/zinc/57/75/27/1135577527.db2.gz MPCNTCPUMYQFME-KRWDZBQOSA-N 1 2 341.455 3.805 20 30 EHEDLO C=C(C)CN1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001196798758 1135611624 /nfs/dbraw/zinc/61/16/24/1135611624.db2.gz NZLIFFMJTUVENB-UHFFFAOYSA-N 1 2 336.479 3.959 20 30 EHEDLO Cc1ccccc1C(N)=[NH+]OCc1ccc(Br)cc1C#N ZINC000808243772 1135640843 /nfs/dbraw/zinc/64/08/43/1135640843.db2.gz IJDYZOUOEHPESH-UHFFFAOYSA-N 1 2 344.212 3.676 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(CC)cc2)n1)[C@@H]1CCCO1 ZINC000775792660 1135746357 /nfs/dbraw/zinc/74/63/57/1135746357.db2.gz SKYSEETUYMXXGE-ROUUACIJSA-N 1 2 326.465 3.643 20 30 EHEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001198490235 1135823094 /nfs/dbraw/zinc/82/30/94/1135823094.db2.gz IOLAFSZOEHLYRO-GXTWGEPZSA-N 1 2 326.396 3.613 20 30 EHEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001198490235 1135823100 /nfs/dbraw/zinc/82/31/00/1135823100.db2.gz IOLAFSZOEHLYRO-GXTWGEPZSA-N 1 2 326.396 3.613 20 30 EHEDLO C[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000810569340 1135973658 /nfs/dbraw/zinc/97/36/58/1135973658.db2.gz WGWVCDZVYBDNTP-INIZCTEOSA-N 1 2 345.402 3.650 20 30 EHEDLO C[C@]1(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1(Cl)Cl ZINC000828564891 1136082496 /nfs/dbraw/zinc/08/24/96/1136082496.db2.gz XQVAZNZSTGGWMC-HUUCEWRRSA-N 1 2 325.239 3.515 20 30 EHEDLO C[C@]1(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1(Cl)Cl ZINC000828564891 1136082500 /nfs/dbraw/zinc/08/25/00/1136082500.db2.gz XQVAZNZSTGGWMC-HUUCEWRRSA-N 1 2 325.239 3.515 20 30 EHEDLO C=CCCCCCCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000811927789 1136155564 /nfs/dbraw/zinc/15/55/64/1136155564.db2.gz OIMTUZLJXSCFNU-KRWDZBQOSA-N 1 2 332.492 3.836 20 30 EHEDLO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)[C@@H](C)CC ZINC001170663865 1136176307 /nfs/dbraw/zinc/17/63/07/1136176307.db2.gz GZOYHQVAQNVDAZ-QITLCBANSA-N 1 2 337.410 3.556 20 30 EHEDLO Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852324840 1136448480 /nfs/dbraw/zinc/44/84/80/1136448480.db2.gz CJCVWWVUCSKWGL-NRFANRHFSA-N 1 2 335.451 3.635 20 30 EHEDLO Cc1cc(C)cc(OCC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852324840 1136448482 /nfs/dbraw/zinc/44/84/82/1136448482.db2.gz CJCVWWVUCSKWGL-NRFANRHFSA-N 1 2 335.451 3.635 20 30 EHEDLO C=C(Br)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000852676425 1136476231 /nfs/dbraw/zinc/47/62/31/1136476231.db2.gz LAOJXSXIOKQHKQ-SNVBAGLBSA-N 1 2 325.033 3.525 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1csc([C@@H](C)OC)n1 ZINC000853429727 1136531623 /nfs/dbraw/zinc/53/16/23/1136531623.db2.gz PPCUMMFJMYCBLH-CYBMUJFWSA-N 1 2 331.441 3.650 20 30 EHEDLO Cc1cccc(-n2ccn(C[N@@H+]3CCC[C@H](CC#N)C3)c2=S)c1 ZINC000853526803 1136540904 /nfs/dbraw/zinc/54/09/04/1136540904.db2.gz ZGTMWZMRTYIFAY-MRXNPFEDSA-N 1 2 326.469 3.900 20 30 EHEDLO Cc1cccc(-n2ccn(C[N@H+]3CCC[C@H](CC#N)C3)c2=S)c1 ZINC000853526803 1136540905 /nfs/dbraw/zinc/54/09/05/1136540905.db2.gz ZGTMWZMRTYIFAY-MRXNPFEDSA-N 1 2 326.469 3.900 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](Cn2ccn(Cc3ccccc3)c2=S)C1 ZINC000853525983 1136541186 /nfs/dbraw/zinc/54/11/86/1136541186.db2.gz LPTBSUXWDXXLGU-KRWDZBQOSA-N 1 2 326.469 3.651 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](Cn2ccn(Cc3ccccc3)c2=S)C1 ZINC000853525983 1136541189 /nfs/dbraw/zinc/54/11/89/1136541189.db2.gz LPTBSUXWDXXLGU-KRWDZBQOSA-N 1 2 326.469 3.651 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000853599842 1136548201 /nfs/dbraw/zinc/54/82/01/1136548201.db2.gz WRVQOWGSVXRXKQ-HDICACEKSA-N 1 2 340.496 3.911 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000853599842 1136548204 /nfs/dbraw/zinc/54/82/04/1136548204.db2.gz WRVQOWGSVXRXKQ-HDICACEKSA-N 1 2 340.496 3.911 20 30 EHEDLO C=CCc1cc(C[NH2+]Cc2c(F)ccc(O)c2F)cc(OC)c1OC ZINC000816548454 1136732409 /nfs/dbraw/zinc/73/24/09/1136732409.db2.gz IFUHIGXMPZXWBM-UHFFFAOYSA-N 1 2 349.377 3.706 20 30 EHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001136397390 1137011962 /nfs/dbraw/zinc/01/19/62/1137011962.db2.gz DHWMCQMELHKBNG-IAGOWNOFSA-N 1 2 344.374 3.816 20 30 EHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001136397390 1137011964 /nfs/dbraw/zinc/01/19/64/1137011964.db2.gz DHWMCQMELHKBNG-IAGOWNOFSA-N 1 2 344.374 3.816 20 30 EHEDLO CCOC(=O)C[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1O ZINC000823576571 1137104901 /nfs/dbraw/zinc/10/49/01/1137104901.db2.gz SSENAAADWSBZMQ-UHFFFAOYSA-N 1 2 344.455 3.621 20 30 EHEDLO CCOC(=O)C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccc1O ZINC000823576571 1137104903 /nfs/dbraw/zinc/10/49/03/1137104903.db2.gz SSENAAADWSBZMQ-UHFFFAOYSA-N 1 2 344.455 3.621 20 30 EHEDLO Cc1ccc2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)[nH]c2c1 ZINC000824950865 1137158964 /nfs/dbraw/zinc/15/89/64/1137158964.db2.gz YHZOTPYMGRJHBO-OAQYLSRUSA-N 1 2 331.419 3.922 20 30 EHEDLO Cc1ccc2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)[nH]c2c1 ZINC000824950865 1137158966 /nfs/dbraw/zinc/15/89/66/1137158966.db2.gz YHZOTPYMGRJHBO-OAQYLSRUSA-N 1 2 331.419 3.922 20 30 EHEDLO C[C@H]1C[N@H+](Cc2c(Cl)cccc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001143716587 1137191849 /nfs/dbraw/zinc/19/18/49/1137191849.db2.gz SCTNGJAMLKXGGX-NHYWBVRUSA-N 1 2 346.780 3.737 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001143716587 1137191851 /nfs/dbraw/zinc/19/18/51/1137191851.db2.gz SCTNGJAMLKXGGX-NHYWBVRUSA-N 1 2 346.780 3.737 20 30 EHEDLO Cc1cccnc1O[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143731942 1137194819 /nfs/dbraw/zinc/19/48/19/1137194819.db2.gz IZACOEMBFGIDGP-HNNXBMFYSA-N 1 2 327.815 3.568 20 30 EHEDLO Cc1cccnc1O[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143731942 1137194820 /nfs/dbraw/zinc/19/48/20/1137194820.db2.gz IZACOEMBFGIDGP-HNNXBMFYSA-N 1 2 327.815 3.568 20 30 EHEDLO N#Cc1cccc2c1C[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000844472026 1137226992 /nfs/dbraw/zinc/22/69/92/1137226992.db2.gz KKMWRZUSWDJJAF-QGZVFWFLSA-N 1 2 332.325 3.626 20 30 EHEDLO N#Cc1cccc2c1C[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C2 ZINC000844472026 1137226993 /nfs/dbraw/zinc/22/69/93/1137226993.db2.gz KKMWRZUSWDJJAF-QGZVFWFLSA-N 1 2 332.325 3.626 20 30 EHEDLO C=C(C)CCC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001144099210 1137238744 /nfs/dbraw/zinc/23/87/44/1137238744.db2.gz SVDYFPZGJIQHLS-UHFFFAOYSA-N 1 2 326.444 3.844 20 30 EHEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cccc(Cl)c1 ZINC000794862526 1137307439 /nfs/dbraw/zinc/30/74/39/1137307439.db2.gz RQSAXRMPUFMSHS-UHFFFAOYSA-N 1 2 325.803 3.862 20 30 EHEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)cc1 ZINC001144567232 1137311104 /nfs/dbraw/zinc/31/11/04/1137311104.db2.gz FDAFPXQRZXAWGB-INIZCTEOSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3c(F)cc(O)cc3F)C2)cc1 ZINC001144567232 1137311105 /nfs/dbraw/zinc/31/11/05/1137311105.db2.gz FDAFPXQRZXAWGB-INIZCTEOSA-N 1 2 344.361 3.585 20 30 EHEDLO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866222325 1137336109 /nfs/dbraw/zinc/33/61/09/1137336109.db2.gz YQEWEYZSCBTLQP-CQSZACIVSA-N 1 2 337.423 3.709 20 30 EHEDLO COc1ccc(CCC[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866242147 1137338415 /nfs/dbraw/zinc/33/84/15/1137338415.db2.gz LAIGDUGJVTUFDB-CQSZACIVSA-N 1 2 340.423 3.564 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001171230350 1137355901 /nfs/dbraw/zinc/35/59/01/1137355901.db2.gz UWKNCFMMLVDRBZ-VBKZILBWSA-N 1 2 342.389 3.841 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001171230350 1137355903 /nfs/dbraw/zinc/35/59/03/1137355903.db2.gz UWKNCFMMLVDRBZ-VBKZILBWSA-N 1 2 342.389 3.841 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(-c2ccccc2)cn1 ZINC000122715693 1137461877 /nfs/dbraw/zinc/46/18/77/1137461877.db2.gz HUXPCMLBWIGIDK-UHFFFAOYSA-N 1 2 346.434 3.528 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1cc(-c2ccccc2)cn1 ZINC000122715693 1137461878 /nfs/dbraw/zinc/46/18/78/1137461878.db2.gz HUXPCMLBWIGIDK-UHFFFAOYSA-N 1 2 346.434 3.528 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)[C@H](C)COC ZINC001171917505 1137518417 /nfs/dbraw/zinc/51/84/17/1137518417.db2.gz YBKCJQOJJRYASE-QGZVFWFLSA-N 1 2 338.451 3.815 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)[C@H](C)COC ZINC001171917505 1137518419 /nfs/dbraw/zinc/51/84/19/1137518419.db2.gz YBKCJQOJJRYASE-QGZVFWFLSA-N 1 2 338.451 3.815 20 30 EHEDLO CCCC[N@H+](CC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172102098 1137536296 /nfs/dbraw/zinc/53/62/96/1137536296.db2.gz KRWJUXUUYABGDY-BJWYYQGGSA-N 1 2 335.492 3.933 20 30 EHEDLO CCCC[N@@H+](CC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172102098 1137536297 /nfs/dbraw/zinc/53/62/97/1137536297.db2.gz KRWJUXUUYABGDY-BJWYYQGGSA-N 1 2 335.492 3.933 20 30 EHEDLO C#CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000878001695 1137698987 /nfs/dbraw/zinc/69/89/87/1137698987.db2.gz YLJRWRYWOPMZBA-QFIPXVFZSA-N 1 2 348.421 3.702 20 30 EHEDLO C#CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000878001695 1137698988 /nfs/dbraw/zinc/69/89/88/1137698988.db2.gz YLJRWRYWOPMZBA-QFIPXVFZSA-N 1 2 348.421 3.702 20 30 EHEDLO C=CCCC[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000883233501 1137849830 /nfs/dbraw/zinc/84/98/30/1137849830.db2.gz KDROERPNLLJCTB-IAGOWNOFSA-N 1 2 326.444 3.843 20 30 EHEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCCCC1 ZINC000107180444 1137885849 /nfs/dbraw/zinc/88/58/49/1137885849.db2.gz CCCPRUSWKDZKBT-UHFFFAOYSA-N 1 2 340.471 3.552 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C ZINC000348271541 1137891486 /nfs/dbraw/zinc/89/14/86/1137891486.db2.gz GFBUDOHPYUXJPO-HIFRSBDPSA-N 1 2 328.378 3.746 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C ZINC000348271541 1137891487 /nfs/dbraw/zinc/89/14/87/1137891487.db2.gz GFBUDOHPYUXJPO-HIFRSBDPSA-N 1 2 328.378 3.746 20 30 EHEDLO N#CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000023875013 1137965576 /nfs/dbraw/zinc/96/55/76/1137965576.db2.gz MASJYINLYAXMKP-UHFFFAOYSA-N 1 2 347.875 3.522 20 30 EHEDLO C=CCn1ncc2ccc(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)cc21 ZINC000885572304 1138009480 /nfs/dbraw/zinc/00/94/80/1138009480.db2.gz BPTMHQCLWPCYMR-SFHVURJKSA-N 1 2 337.427 3.645 20 30 EHEDLO C=CCCCN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077274551 1138138304 /nfs/dbraw/zinc/13/83/04/1138138304.db2.gz DDFCEQQPSQTYDT-CALCHBBNSA-N 1 2 345.487 3.726 20 30 EHEDLO C=CCCCN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000077274551 1138138305 /nfs/dbraw/zinc/13/83/05/1138138305.db2.gz DDFCEQQPSQTYDT-CALCHBBNSA-N 1 2 345.487 3.726 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cnccc2Cl)C1 ZINC001137237717 1138219535 /nfs/dbraw/zinc/21/95/35/1138219535.db2.gz GWERGIJMBIXLMA-MRXNPFEDSA-N 1 2 327.815 3.650 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cnccc2Cl)C1 ZINC001137237717 1138219537 /nfs/dbraw/zinc/21/95/37/1138219537.db2.gz GWERGIJMBIXLMA-MRXNPFEDSA-N 1 2 327.815 3.650 20 30 EHEDLO CCOc1c(Br)cc(C[N@H+](C)[C@H](C)CC#N)cc1OC ZINC000093090486 1138234435 /nfs/dbraw/zinc/23/44/35/1138234435.db2.gz CXOZALBRUGMZNA-LLVKDONJSA-N 1 2 341.249 3.590 20 30 EHEDLO CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)CC#N)cc1OC ZINC000093090486 1138234438 /nfs/dbraw/zinc/23/44/38/1138234438.db2.gz CXOZALBRUGMZNA-LLVKDONJSA-N 1 2 341.249 3.590 20 30 EHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000127469856 1138359190 /nfs/dbraw/zinc/35/91/90/1138359190.db2.gz GAGZOQPCBJDPQB-LRDDRELGSA-N 1 2 343.818 3.523 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000337185795 1138489218 /nfs/dbraw/zinc/48/92/18/1138489218.db2.gz OZWVZRIDNVRLEZ-JOCHJYFZSA-N 1 2 342.446 3.617 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264688877 1138605471 /nfs/dbraw/zinc/60/54/71/1138605471.db2.gz CNSJCHMADFPILU-OAHLLOKOSA-N 1 2 340.427 3.776 20 30 EHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000175409157 1139489051 /nfs/dbraw/zinc/48/90/51/1139489051.db2.gz FTIYASXCZQUGPK-ZAMGYDSWSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000175409157 1139489054 /nfs/dbraw/zinc/48/90/54/1139489054.db2.gz FTIYASXCZQUGPK-ZAMGYDSWSA-N 1 2 330.428 3.628 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000185724522 1140166422 /nfs/dbraw/zinc/16/64/22/1140166422.db2.gz NXFOEGIXTBAOOH-QGZVFWFLSA-N 1 2 329.488 3.749 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3ccccc3F)no2)C2CC2)cc1 ZINC000188981537 1140315959 /nfs/dbraw/zinc/31/59/59/1140315959.db2.gz LFFWCETVKXIYIY-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3ccccc3F)no2)C2CC2)cc1 ZINC000188981537 1140315966 /nfs/dbraw/zinc/31/59/66/1140315966.db2.gz LFFWCETVKXIYIY-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000189907518 1140371990 /nfs/dbraw/zinc/37/19/90/1140371990.db2.gz LXULMEYLYCLDLB-HNNXBMFYSA-N 1 2 332.513 3.914 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)Cc1ccncc1 ZINC000267881776 1140846244 /nfs/dbraw/zinc/84/62/44/1140846244.db2.gz GORWSWXXGJOZJR-UHFFFAOYSA-N 1 2 341.480 3.820 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](CC)Cc1ccncc1 ZINC000267881776 1140846255 /nfs/dbraw/zinc/84/62/55/1140846255.db2.gz GORWSWXXGJOZJR-UHFFFAOYSA-N 1 2 341.480 3.820 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)C[C@@H](C)C#N)c2)cc1 ZINC000271110123 1141308705 /nfs/dbraw/zinc/30/87/05/1141308705.db2.gz ASIOXOULFZCNKO-HNNXBMFYSA-N 1 2 337.423 3.539 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)C[C@@H](C)C#N)c2)cc1 ZINC000271110123 1141308711 /nfs/dbraw/zinc/30/87/11/1141308711.db2.gz ASIOXOULFZCNKO-HNNXBMFYSA-N 1 2 337.423 3.539 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc2ccc(C)cn12 ZINC000348878942 1141602363 /nfs/dbraw/zinc/60/23/63/1141602363.db2.gz RIHFBFGMEQNFMD-UHFFFAOYSA-N 1 2 337.471 3.998 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc2ccc(C)cn12 ZINC000348878942 1141602366 /nfs/dbraw/zinc/60/23/66/1141602366.db2.gz RIHFBFGMEQNFMD-UHFFFAOYSA-N 1 2 337.471 3.998 20 30 EHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1c[nH+]c2ccc(C)cn12 ZINC000348878942 1141602369 /nfs/dbraw/zinc/60/23/69/1141602369.db2.gz RIHFBFGMEQNFMD-UHFFFAOYSA-N 1 2 337.471 3.998 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)Oc1ccc(C#N)cc1OC)c1ccccc1 ZINC000175729024 1014809132 /nfs/dbraw/zinc/80/91/32/1014809132.db2.gz RUGCNBQLASEGEZ-IBGZPJMESA-N 1 2 338.407 3.555 20 30 EHEDLO N#Cc1ccc(-c2cccs2)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167125453 1016205690 /nfs/dbraw/zinc/20/56/90/1016205690.db2.gz DYVGMIILOZYZCE-UHFFFAOYSA-N 1 2 335.436 3.720 20 30 EHEDLO N#Cc1ccc(F)c(C[N@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430321934 1016356813 /nfs/dbraw/zinc/35/68/13/1016356813.db2.gz BMQQKEOOVKIJMQ-UHFFFAOYSA-N 1 2 346.409 3.732 20 30 EHEDLO N#Cc1ccc(F)c(C[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430321934 1016356821 /nfs/dbraw/zinc/35/68/21/1016356821.db2.gz BMQQKEOOVKIJMQ-UHFFFAOYSA-N 1 2 346.409 3.732 20 30 EHEDLO CC(C)C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)n1cc[nH+]c1 ZINC000602050813 1032606113 /nfs/dbraw/zinc/60/61/13/1032606113.db2.gz CELPPVQGNMWZGA-IBGZPJMESA-N 1 2 336.439 3.533 20 30 EHEDLO CC(C)C[C@H](C(=O)Nc1cc(C#N)ccc1OC(C)C)n1cc[nH+]c1 ZINC000602083638 1032618298 /nfs/dbraw/zinc/61/82/98/1032618298.db2.gz OPVGGBBMPCNROW-QGZVFWFLSA-N 1 2 340.427 3.768 20 30 EHEDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000341033449 1017905676 /nfs/dbraw/zinc/90/56/76/1017905676.db2.gz LXQSQPFSTKEZTR-CQSZACIVSA-N 1 2 348.406 3.776 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000728711578 1018355048 /nfs/dbraw/zinc/35/50/48/1018355048.db2.gz IBHIJVSCSHMZSQ-UZLBHIALSA-N 1 2 346.434 3.590 20 30 EHEDLO CO[C@H](C)c1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594032142 1032814660 /nfs/dbraw/zinc/81/46/60/1032814660.db2.gz PRLLUYRYRCVYSF-CYBMUJFWSA-N 1 2 327.453 3.891 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1F ZINC000340830095 1020312436 /nfs/dbraw/zinc/31/24/36/1020312436.db2.gz DLHVTDRNLDBJFZ-UHFFFAOYSA-N 1 2 346.409 3.568 20 30 EHEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000135099401 1020766447 /nfs/dbraw/zinc/76/64/47/1020766447.db2.gz ZKCZQVSTMNUKIS-JLTOFOAXSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000135099401 1020766459 /nfs/dbraw/zinc/76/64/59/1020766459.db2.gz ZKCZQVSTMNUKIS-JLTOFOAXSA-N 1 2 340.398 3.668 20 30 EHEDLO Cc1cc2c(s1)N(c1nc(C)cnc1C#N)c1ccccc1NC2=[NH2+] ZINC001167460192 1020852115 /nfs/dbraw/zinc/85/21/15/1020852115.db2.gz DJEMUFGCBSSKPC-UHFFFAOYSA-N 1 2 346.419 3.847 20 30 EHEDLO COCCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1 ZINC000255342536 1021312101 /nfs/dbraw/zinc/31/21/01/1021312101.db2.gz VMAAWESNCLRGFP-TWGQIWQCSA-N 1 2 336.391 3.564 20 30 EHEDLO Cc1nc([C@@H]([NH2+]C2CCC(C#N)CC2)c2ccc(Cl)cc2)no1 ZINC000602580099 1032999390 /nfs/dbraw/zinc/99/93/90/1032999390.db2.gz CTASVQGHSQQPLE-MOQPWLNLSA-N 1 2 330.819 3.793 20 30 EHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000516822144 1021770991 /nfs/dbraw/zinc/77/09/91/1021770991.db2.gz KSVCPSCEMXVWGX-GFCCVEGCSA-N 1 2 344.509 3.730 20 30 EHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000516822144 1021771004 /nfs/dbraw/zinc/77/10/04/1021771004.db2.gz KSVCPSCEMXVWGX-GFCCVEGCSA-N 1 2 344.509 3.730 20 30 EHEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(Cl)c1 ZINC000016632189 1033029480 /nfs/dbraw/zinc/02/94/80/1033029480.db2.gz ORFDIMLVSPSBSF-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccc(Cl)c1 ZINC000016632189 1033029505 /nfs/dbraw/zinc/02/95/05/1033029505.db2.gz ORFDIMLVSPSBSF-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)c1nc(C2CCCCC2)no1 ZINC000602643783 1033034880 /nfs/dbraw/zinc/03/48/80/1033034880.db2.gz KYGKBALUIZWAGO-LSDHHAIUSA-N 1 2 346.475 3.867 20 30 EHEDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000534513798 1022274987 /nfs/dbraw/zinc/27/49/87/1022274987.db2.gz WJNVJDJMFFRXPH-UHFFFAOYSA-N 1 2 326.783 3.658 20 30 EHEDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000534513798 1022274997 /nfs/dbraw/zinc/27/49/97/1022274997.db2.gz WJNVJDJMFFRXPH-UHFFFAOYSA-N 1 2 326.783 3.658 20 30 EHEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1Cl ZINC000067372500 1022423975 /nfs/dbraw/zinc/42/39/75/1022423975.db2.gz GAOKDBKIEDVSKN-UHFFFAOYSA-N 1 2 341.846 3.994 20 30 EHEDLO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000111257085 1022452882 /nfs/dbraw/zinc/45/28/82/1022452882.db2.gz JDCGKDOWBWVPIG-LBPRGKRZSA-N 1 2 337.261 3.674 20 30 EHEDLO CC1(C)C[NH+](CC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000519555552 1022481737 /nfs/dbraw/zinc/48/17/37/1022481737.db2.gz QWACVKWSMPWHFZ-UHFFFAOYSA-N 1 2 335.407 3.631 20 30 EHEDLO O=C(N[C@@H]1CC=CCC1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328802442 1022506337 /nfs/dbraw/zinc/50/63/37/1022506337.db2.gz ZVWMPMZXOFRQNF-NVXWUHKLSA-N 1 2 344.459 3.923 20 30 EHEDLO O=C(N[C@@H]1CC=CCC1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328802442 1022506351 /nfs/dbraw/zinc/50/63/51/1022506351.db2.gz ZVWMPMZXOFRQNF-NVXWUHKLSA-N 1 2 344.459 3.923 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)n2)C1 ZINC000328908180 1022541156 /nfs/dbraw/zinc/54/11/56/1022541156.db2.gz CSCYDWUEDQGMMY-MGPQQGTHSA-N 1 2 349.500 3.968 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)n2)C1 ZINC000328908180 1022541167 /nfs/dbraw/zinc/54/11/67/1022541167.db2.gz CSCYDWUEDQGMMY-MGPQQGTHSA-N 1 2 349.500 3.968 20 30 EHEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000550140909 1022577160 /nfs/dbraw/zinc/57/71/60/1022577160.db2.gz MXYOQIGODSFEDD-MRXNPFEDSA-N 1 2 339.266 3.612 20 30 EHEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000550140909 1022577168 /nfs/dbraw/zinc/57/71/68/1022577168.db2.gz MXYOQIGODSFEDD-MRXNPFEDSA-N 1 2 339.266 3.612 20 30 EHEDLO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1cccc(O)c1 ZINC000550008814 1023042226 /nfs/dbraw/zinc/04/22/26/1023042226.db2.gz JGUYGNWUYAGIHR-CQSZACIVSA-N 1 2 338.407 3.634 20 30 EHEDLO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1cccc(O)c1 ZINC000550008814 1023042232 /nfs/dbraw/zinc/04/22/32/1023042232.db2.gz JGUYGNWUYAGIHR-CQSZACIVSA-N 1 2 338.407 3.634 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c1C#N ZINC000548425353 1023085323 /nfs/dbraw/zinc/08/53/23/1023085323.db2.gz ABLXSVMYRKAMCD-STQMWFEESA-N 1 2 328.460 3.513 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000548492695 1023692119 /nfs/dbraw/zinc/69/21/19/1023692119.db2.gz WRAXYBDDKGOABG-ABAIWWIYSA-N 1 2 340.345 3.508 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000548492695 1023692122 /nfs/dbraw/zinc/69/21/22/1023692122.db2.gz WRAXYBDDKGOABG-ABAIWWIYSA-N 1 2 340.345 3.508 20 30 EHEDLO C=C1CC[NH+](Cc2ccc(OC)c(OC)c2Br)CC1 ZINC000342018730 1023760308 /nfs/dbraw/zinc/76/03/08/1023760308.db2.gz YPSJSHRHYBOBFO-UHFFFAOYSA-N 1 2 326.234 3.618 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000063299846 1033165284 /nfs/dbraw/zinc/16/52/84/1033165284.db2.gz VYPNIWCTXRGUEB-YLJYHZDGSA-N 1 2 339.483 3.583 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000063299846 1033165294 /nfs/dbraw/zinc/16/52/94/1033165294.db2.gz VYPNIWCTXRGUEB-YLJYHZDGSA-N 1 2 339.483 3.583 20 30 EHEDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329655705 1023988841 /nfs/dbraw/zinc/98/88/41/1023988841.db2.gz MJXQWZYRLNMGLO-HWOWSKLDSA-N 1 2 344.455 3.784 20 30 EHEDLO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329655705 1023988858 /nfs/dbraw/zinc/98/88/58/1023988858.db2.gz MJXQWZYRLNMGLO-HWOWSKLDSA-N 1 2 344.455 3.784 20 30 EHEDLO N#Cc1csc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000184744101 1024163052 /nfs/dbraw/zinc/16/30/52/1024163052.db2.gz ASMIACRDJVZUAU-UHFFFAOYSA-N 1 2 348.475 3.617 20 30 EHEDLO Cc1csc(C2([NH2+]CC(=O)Nc3nc4c(s3)CCC4)CCC2)n1 ZINC000329731194 1024164492 /nfs/dbraw/zinc/16/44/92/1024164492.db2.gz GOTDYIWVJZUMPW-UHFFFAOYSA-N 1 2 348.497 3.654 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000329746270 1024173642 /nfs/dbraw/zinc/17/36/42/1024173642.db2.gz RSCUHOCLBIQXCD-CRAIPNDOSA-N 1 2 342.418 3.547 20 30 EHEDLO COc1ccc(C2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC2)cc1 ZINC000329757264 1024180751 /nfs/dbraw/zinc/18/07/51/1024180751.db2.gz MTORXZAXAOQACQ-HNNXBMFYSA-N 1 2 339.439 3.533 20 30 EHEDLO CSc1nc(C[N@@H+]2CCSc3ccccc3C2)ccc1C#N ZINC001141945887 1024195153 /nfs/dbraw/zinc/19/51/53/1024195153.db2.gz QEYXLTLDJMUCIN-UHFFFAOYSA-N 1 2 327.478 3.783 20 30 EHEDLO CSc1nc(C[N@H+]2CCSc3ccccc3C2)ccc1C#N ZINC001141945887 1024195159 /nfs/dbraw/zinc/19/51/59/1024195159.db2.gz QEYXLTLDJMUCIN-UHFFFAOYSA-N 1 2 327.478 3.783 20 30 EHEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000330035271 1024295990 /nfs/dbraw/zinc/29/59/90/1024295990.db2.gz XFRXLUJFTMLBPZ-ZDUSSCGKSA-N 1 2 328.416 3.716 20 30 EHEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330140608 1024332982 /nfs/dbraw/zinc/33/29/82/1024332982.db2.gz XDEVHQZWJYYOGA-ABSDTBQOSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330140608 1024332997 /nfs/dbraw/zinc/33/29/97/1024332997.db2.gz XDEVHQZWJYYOGA-ABSDTBQOSA-N 1 2 346.471 3.550 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330162836 1024337604 /nfs/dbraw/zinc/33/76/04/1024337604.db2.gz ANELTLHLBXRIAG-INMHGKMJSA-N 1 2 349.450 3.599 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330162836 1024337619 /nfs/dbraw/zinc/33/76/19/1024337619.db2.gz ANELTLHLBXRIAG-INMHGKMJSA-N 1 2 349.450 3.599 20 30 EHEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000538724104 1024482189 /nfs/dbraw/zinc/48/21/89/1024482189.db2.gz RTFLYDAAJQVDKV-RHSMWYFYSA-N 1 2 332.469 3.564 20 30 EHEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000538724104 1024482195 /nfs/dbraw/zinc/48/21/95/1024482195.db2.gz RTFLYDAAJQVDKV-RHSMWYFYSA-N 1 2 332.469 3.564 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000474217891 1024593088 /nfs/dbraw/zinc/59/30/88/1024593088.db2.gz MKXDHXGLSNGROX-QGZVFWFLSA-N 1 2 341.455 3.779 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000474217891 1024593094 /nfs/dbraw/zinc/59/30/94/1024593094.db2.gz MKXDHXGLSNGROX-QGZVFWFLSA-N 1 2 341.455 3.779 20 30 EHEDLO CCc1cc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)ccc1C ZINC000330326870 1024783791 /nfs/dbraw/zinc/78/37/91/1024783791.db2.gz KLEODKHRUSPQAR-SJLPKXTDSA-N 1 2 342.443 3.537 20 30 EHEDLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000895836074 1024901644 /nfs/dbraw/zinc/90/16/44/1024901644.db2.gz JBXLVSBXHBMXOK-GFCCVEGCSA-N 1 2 345.258 3.591 20 30 EHEDLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000895836074 1024901649 /nfs/dbraw/zinc/90/16/49/1024901649.db2.gz JBXLVSBXHBMXOK-GFCCVEGCSA-N 1 2 345.258 3.591 20 30 EHEDLO CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(C#N)s1)CC2 ZINC000120978755 1025008982 /nfs/dbraw/zinc/00/89/82/1025008982.db2.gz CIPUXBABCPEDQL-UHFFFAOYSA-N 1 2 342.464 3.975 20 30 EHEDLO CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000120978755 1025008993 /nfs/dbraw/zinc/00/89/93/1025008993.db2.gz CIPUXBABCPEDQL-UHFFFAOYSA-N 1 2 342.464 3.975 20 30 EHEDLO COc1cc(C[N@H+](C)Cc2ccccc2Br)ccc1C#N ZINC000234929377 1025139167 /nfs/dbraw/zinc/13/91/67/1025139167.db2.gz GRYPKMFWVRUVAE-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1cc(C[N@@H+](C)Cc2ccccc2Br)ccc1C#N ZINC000234929377 1025139181 /nfs/dbraw/zinc/13/91/81/1025139181.db2.gz GRYPKMFWVRUVAE-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)c(Br)c1 ZINC000611578000 1025379808 /nfs/dbraw/zinc/37/98/08/1025379808.db2.gz MLSCLNNFUAHHFB-LBPRGKRZSA-N 1 2 345.187 3.524 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c(Br)c1 ZINC000611578000 1025379821 /nfs/dbraw/zinc/37/98/21/1025379821.db2.gz MLSCLNNFUAHHFB-LBPRGKRZSA-N 1 2 345.187 3.524 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1 ZINC000353896253 1025387369 /nfs/dbraw/zinc/38/73/69/1025387369.db2.gz FKECMIWYKIQXFC-GFCCVEGCSA-N 1 2 348.244 3.655 20 30 EHEDLO C[N@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@H]1CCC[C@H]1C#N ZINC000602979343 1033283858 /nfs/dbraw/zinc/28/38/58/1033283858.db2.gz CDXQSFXXVBUJDG-LPHOPBHVSA-N 1 2 339.414 3.924 20 30 EHEDLO C[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@H]1CCC[C@H]1C#N ZINC000602979343 1033283872 /nfs/dbraw/zinc/28/38/72/1033283872.db2.gz CDXQSFXXVBUJDG-LPHOPBHVSA-N 1 2 339.414 3.924 20 30 EHEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2O[C@H](C)CC)nn1 ZINC000657393150 1025875741 /nfs/dbraw/zinc/87/57/41/1025875741.db2.gz NLEZVFYTBHLBOW-MRXNPFEDSA-N 1 2 328.460 3.630 20 30 EHEDLO O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000329554169 1025996654 /nfs/dbraw/zinc/99/66/54/1025996654.db2.gz PXFOWKYQEHMSDV-SFHVURJKSA-N 1 2 339.439 3.728 20 30 EHEDLO C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(Br)c(F)cc1O ZINC000840787978 1026253356 /nfs/dbraw/zinc/25/33/56/1026253356.db2.gz SHPPNXIBTWKPIG-VIFPVBQESA-N 1 2 329.213 3.884 20 30 EHEDLO C#C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000934518533 1026572980 /nfs/dbraw/zinc/57/29/80/1026572980.db2.gz JOASFVBMUKGFQJ-KRWDZBQOSA-N 1 2 347.418 3.886 20 30 EHEDLO C#C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000934518533 1026572984 /nfs/dbraw/zinc/57/29/84/1026572984.db2.gz JOASFVBMUKGFQJ-KRWDZBQOSA-N 1 2 347.418 3.886 20 30 EHEDLO N#Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(Cl)c1 ZINC000342657667 1026611541 /nfs/dbraw/zinc/61/15/41/1026611541.db2.gz GEBCQXLHNHWEPK-UHFFFAOYSA-N 1 2 336.782 3.709 20 30 EHEDLO C=CCN(C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(C)C ZINC000729576929 1026772812 /nfs/dbraw/zinc/77/28/12/1026772812.db2.gz XESOCAUFPQETSW-MRXNPFEDSA-N 1 2 331.460 3.508 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c(F)c1 ZINC000347327485 1027274545 /nfs/dbraw/zinc/27/45/45/1027274545.db2.gz CIRLYOFHAUWUMU-WBVHZDCISA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c(F)c1 ZINC000347327485 1027274561 /nfs/dbraw/zinc/27/45/61/1027274561.db2.gz CIRLYOFHAUWUMU-WBVHZDCISA-N 1 2 342.439 3.698 20 30 EHEDLO C[C@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000268244243 1027282834 /nfs/dbraw/zinc/28/28/34/1027282834.db2.gz ILVWSJYXSZCNCL-BLLLJJGKSA-N 1 2 334.345 3.861 20 30 EHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000428364143 1027701926 /nfs/dbraw/zinc/70/19/26/1027701926.db2.gz OFVKCOJIQHLLHT-UHFFFAOYSA-N 1 2 327.378 3.913 20 30 EHEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000533371800 1027764961 /nfs/dbraw/zinc/76/49/61/1027764961.db2.gz OBGOGYBOWPAXNA-HNNXBMFYSA-N 1 2 326.362 3.535 20 30 EHEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000533371800 1027764978 /nfs/dbraw/zinc/76/49/78/1027764978.db2.gz OBGOGYBOWPAXNA-HNNXBMFYSA-N 1 2 326.362 3.535 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954337 1027916638 /nfs/dbraw/zinc/91/66/38/1027916638.db2.gz ULPASZUOGHCYRQ-LLVKDONJSA-N 1 2 327.306 3.631 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420954337 1027916647 /nfs/dbraw/zinc/91/66/47/1027916647.db2.gz ULPASZUOGHCYRQ-LLVKDONJSA-N 1 2 327.306 3.631 20 30 EHEDLO Cc1cc(OC[C@H](O)C[N@H+](C)[C@H](C)CC#N)c(C(C)C)cc1Cl ZINC000247732538 1028813327 /nfs/dbraw/zinc/81/33/27/1028813327.db2.gz VHHJSFLTWUREQH-HUUCEWRRSA-N 1 2 338.879 3.746 20 30 EHEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N)c(C(C)C)cc1Cl ZINC000247732538 1028813338 /nfs/dbraw/zinc/81/33/38/1028813338.db2.gz VHHJSFLTWUREQH-HUUCEWRRSA-N 1 2 338.879 3.746 20 30 EHEDLO CC1=CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000535963425 1029260972 /nfs/dbraw/zinc/26/09/72/1029260972.db2.gz JKMXNSVRPDWMOS-HNNXBMFYSA-N 1 2 329.469 3.529 20 30 EHEDLO CC1=CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000535963425 1029260987 /nfs/dbraw/zinc/26/09/87/1029260987.db2.gz JKMXNSVRPDWMOS-HNNXBMFYSA-N 1 2 329.469 3.529 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000245792840 1029310760 /nfs/dbraw/zinc/31/07/60/1029310760.db2.gz WNABXDQWNYIFRX-MGPUTAFESA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000245792840 1029310778 /nfs/dbraw/zinc/31/07/78/1029310778.db2.gz WNABXDQWNYIFRX-MGPUTAFESA-N 1 2 340.398 3.690 20 30 EHEDLO COc1cccc(Cl)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548791839 1029654255 /nfs/dbraw/zinc/65/42/55/1029654255.db2.gz YKPDJNYJJXEKGV-UHFFFAOYSA-N 1 2 341.842 3.801 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000428459680 1029861227 /nfs/dbraw/zinc/86/12/27/1029861227.db2.gz ZOPQRNLUICOSCC-HNNXBMFYSA-N 1 2 330.428 3.940 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000428459680 1029861230 /nfs/dbraw/zinc/86/12/30/1029861230.db2.gz ZOPQRNLUICOSCC-HNNXBMFYSA-N 1 2 330.428 3.940 20 30 EHEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)c1C#N ZINC000525972980 1030263045 /nfs/dbraw/zinc/26/30/45/1030263045.db2.gz HIWFTWJEJQJCLN-ZDUSSCGKSA-N 1 2 334.375 3.942 20 30 EHEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000583639297 1030339666 /nfs/dbraw/zinc/33/96/66/1030339666.db2.gz CFNAVBWEDCTTKQ-UWVGGRQHSA-N 1 2 347.768 3.968 20 30 EHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc2c(c1)OCCO2 ZINC000783697286 1031146281 /nfs/dbraw/zinc/14/62/81/1031146281.db2.gz QTEVBAIBSDOWFY-NSCUHMNNSA-N 1 2 338.388 3.601 20 30 EHEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000483538349 1031219197 /nfs/dbraw/zinc/21/91/97/1031219197.db2.gz LTXYHTNKAIINGV-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CC)Cc1cccc(F)c1)Cc1cccs1 ZINC000248233033 1031468905 /nfs/dbraw/zinc/46/89/05/1031468905.db2.gz CLBSCFKELHTYHT-UHFFFAOYSA-N 1 2 346.471 3.924 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CC)Cc1cccc(F)c1)Cc1cccs1 ZINC000248233033 1031468918 /nfs/dbraw/zinc/46/89/18/1031468918.db2.gz CLBSCFKELHTYHT-UHFFFAOYSA-N 1 2 346.471 3.924 20 30 EHEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCCCC12CCCC2 ZINC000329641252 1031562157 /nfs/dbraw/zinc/56/21/57/1031562157.db2.gz XOZKWDVWUZVZAH-IAGOWNOFSA-N 1 2 342.487 3.667 20 30 EHEDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594914121 1033541844 /nfs/dbraw/zinc/54/18/44/1033541844.db2.gz CXPDUNZJBIRIHE-HXUWFJFHSA-N 1 2 342.446 3.854 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000595301588 1033735722 /nfs/dbraw/zinc/73/57/22/1033735722.db2.gz GNKXGNWPXILXBI-IBGZPJMESA-N 1 2 326.827 3.828 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000595301588 1033735739 /nfs/dbraw/zinc/73/57/39/1033735739.db2.gz GNKXGNWPXILXBI-IBGZPJMESA-N 1 2 326.827 3.828 20 30 EHEDLO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000593019065 1033819499 /nfs/dbraw/zinc/81/94/99/1033819499.db2.gz OSOFAGIYIJDFBC-MRXNPFEDSA-N 1 2 330.413 3.646 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595623440 1033904930 /nfs/dbraw/zinc/90/49/30/1033904930.db2.gz PJLUICIAMVHKRG-NSHDSACASA-N 1 2 327.306 3.739 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595623440 1033904936 /nfs/dbraw/zinc/90/49/36/1033904936.db2.gz PJLUICIAMVHKRG-NSHDSACASA-N 1 2 327.306 3.739 20 30 EHEDLO Cc1cccn2cc(CC(=O)N(CC(C)C)c3ccc(C#N)cc3)[nH+]c12 ZINC000608846643 1033930833 /nfs/dbraw/zinc/93/08/33/1033930833.db2.gz HTTXOCHORWWCPS-UHFFFAOYSA-N 1 2 346.434 3.746 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c(F)c1 ZINC000595717912 1033961004 /nfs/dbraw/zinc/96/10/04/1033961004.db2.gz QDTBUPAPWPVBIR-SFHVURJKSA-N 1 2 326.371 3.644 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c(F)c1 ZINC000595717912 1033961012 /nfs/dbraw/zinc/96/10/12/1033961012.db2.gz QDTBUPAPWPVBIR-SFHVURJKSA-N 1 2 326.371 3.644 20 30 EHEDLO Cc1nc(N[C@H]2CCc3cc(C#N)ccc32)c(Br)c(C)[nH+]1 ZINC000596215741 1034123053 /nfs/dbraw/zinc/12/30/53/1034123053.db2.gz TVBSNRWORPNVIN-AWEZNQCLSA-N 1 2 343.228 3.827 20 30 EHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000119523224 1034176894 /nfs/dbraw/zinc/17/68/94/1034176894.db2.gz TUUSFXUHSGVZHW-IRXDYDNUSA-N 1 2 340.448 3.806 20 30 EHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000119523224 1034176914 /nfs/dbraw/zinc/17/69/14/1034176914.db2.gz TUUSFXUHSGVZHW-IRXDYDNUSA-N 1 2 340.448 3.806 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057907851 1034259617 /nfs/dbraw/zinc/25/96/17/1034259617.db2.gz HXHKHEQPVWPTBS-MRXNPFEDSA-N 1 2 333.435 3.916 20 30 EHEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230033 1034612013 /nfs/dbraw/zinc/61/20/13/1034612013.db2.gz OWCOYQKQMIZULR-GOSISDBHSA-N 1 2 328.847 3.878 20 30 EHEDLO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597230033 1034612020 /nfs/dbraw/zinc/61/20/20/1034612020.db2.gz OWCOYQKQMIZULR-GOSISDBHSA-N 1 2 328.847 3.878 20 30 EHEDLO C[C@]1(C#N)CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000597232763 1034612759 /nfs/dbraw/zinc/61/27/59/1034612759.db2.gz WZUKTUIKEFADNB-HXUWFJFHSA-N 1 2 335.455 3.796 20 30 EHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000597232763 1034612762 /nfs/dbraw/zinc/61/27/62/1034612762.db2.gz WZUKTUIKEFADNB-HXUWFJFHSA-N 1 2 335.455 3.796 20 30 EHEDLO Cn1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(-c2cc3ccccc3o2)n1 ZINC000612407147 1034897907 /nfs/dbraw/zinc/89/79/07/1034897907.db2.gz ZJFHERQEYNZFRJ-HXUWFJFHSA-N 1 2 334.423 3.959 20 30 EHEDLO Cn1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(-c2cc3ccccc3o2)n1 ZINC000612407147 1034897917 /nfs/dbraw/zinc/89/79/17/1034897917.db2.gz ZJFHERQEYNZFRJ-HXUWFJFHSA-N 1 2 334.423 3.959 20 30 EHEDLO Clc1ccccc1C#CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534861566 1035720771 /nfs/dbraw/zinc/72/07/71/1035720771.db2.gz TVDXEWAVYBBRLF-UHFFFAOYSA-N 1 2 325.843 3.663 20 30 EHEDLO N#Cc1cc2c(nc1NCc1cccc(-n3cc[nH+]c3)c1)CCCC2 ZINC000535035778 1035942634 /nfs/dbraw/zinc/94/26/34/1035942634.db2.gz NYGXGRYKPUGJHH-UHFFFAOYSA-N 1 2 329.407 3.630 20 30 EHEDLO Cc1cc(N(C)Cc2ccco2)c(C#N)c(N(C)Cc2ccco2)[nH+]1 ZINC000589102782 1036246880 /nfs/dbraw/zinc/24/68/80/1036246880.db2.gz AWMLINHMCIJPRZ-UHFFFAOYSA-N 1 2 336.395 3.721 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000249735622 1036665925 /nfs/dbraw/zinc/66/59/25/1036665925.db2.gz VXGCRAHXNLFOHC-WMZOPIPTSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000249735622 1036665931 /nfs/dbraw/zinc/66/59/31/1036665931.db2.gz VXGCRAHXNLFOHC-WMZOPIPTSA-N 1 2 333.863 3.531 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549082260 1037192079 /nfs/dbraw/zinc/19/20/79/1037192079.db2.gz RMWMVMSMZJJFSX-IBGZPJMESA-N 1 2 328.362 3.777 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549082260 1037192087 /nfs/dbraw/zinc/19/20/87/1037192087.db2.gz RMWMVMSMZJJFSX-IBGZPJMESA-N 1 2 328.362 3.777 20 30 EHEDLO COc1cc(F)c(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1OC ZINC000760262739 1037421220 /nfs/dbraw/zinc/42/12/20/1037421220.db2.gz CHRGUTAKYPYOJC-SREVYHEPSA-N 1 2 340.354 3.695 20 30 EHEDLO C=CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000029911018 1037438063 /nfs/dbraw/zinc/43/80/63/1037438063.db2.gz VVBKTRQSFMACBI-UHFFFAOYSA-N 1 2 349.390 3.698 20 30 EHEDLO C#CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000760854573 1037535322 /nfs/dbraw/zinc/53/53/22/1037535322.db2.gz ABNDGYJEVFPACH-OAHLLOKOSA-N 1 2 325.239 3.810 20 30 EHEDLO C#CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000760854573 1037535336 /nfs/dbraw/zinc/53/53/36/1037535336.db2.gz ABNDGYJEVFPACH-OAHLLOKOSA-N 1 2 325.239 3.810 20 30 EHEDLO C#C[C@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000491679524 1037618002 /nfs/dbraw/zinc/61/80/02/1037618002.db2.gz FZTZBSSCPFOILW-OAHLLOKOSA-N 1 2 327.453 3.638 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000129737191 1037689054 /nfs/dbraw/zinc/68/90/54/1037689054.db2.gz IHLKPBQRMFISSC-UHFFFAOYSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000129737191 1037689068 /nfs/dbraw/zinc/68/90/68/1037689068.db2.gz IHLKPBQRMFISSC-UHFFFAOYSA-N 1 2 343.500 3.740 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCCC2)O1 ZINC000592192208 1037923613 /nfs/dbraw/zinc/92/36/13/1037923613.db2.gz GVQHMXKIIIYFAP-CYBMUJFWSA-N 1 2 336.382 3.693 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCCC2)O1 ZINC000592192208 1037923628 /nfs/dbraw/zinc/92/36/28/1037923628.db2.gz GVQHMXKIIIYFAP-CYBMUJFWSA-N 1 2 336.382 3.693 20 30 EHEDLO O[C@@H]([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000123768384 1038071446 /nfs/dbraw/zinc/07/14/46/1038071446.db2.gz HYWCPMWEJUGDFQ-NEPJUHHUSA-N 1 2 345.258 3.732 20 30 EHEDLO O[C@@H]([C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000123768384 1038071470 /nfs/dbraw/zinc/07/14/70/1038071470.db2.gz HYWCPMWEJUGDFQ-NEPJUHHUSA-N 1 2 345.258 3.732 20 30 EHEDLO CC[N@H+](Cc1ccccc1Cl)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488557103 1039269471 /nfs/dbraw/zinc/26/94/71/1039269471.db2.gz SWVGTSFDPUVQDL-RDTXWAMCSA-N 1 2 335.879 3.605 20 30 EHEDLO CC[N@@H+](Cc1ccccc1Cl)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488557103 1039269479 /nfs/dbraw/zinc/26/94/79/1039269479.db2.gz SWVGTSFDPUVQDL-RDTXWAMCSA-N 1 2 335.879 3.605 20 30 EHEDLO COc1cc(C)[nH+]c(CSc2nc(C(F)(F)F)ccc2C#N)c1 ZINC000488789460 1039405138 /nfs/dbraw/zinc/40/51/38/1039405138.db2.gz UNKWQMIYNJYNIP-UHFFFAOYSA-N 1 2 339.342 3.976 20 30 EHEDLO Cc1nccc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000614160912 1040311837 /nfs/dbraw/zinc/31/18/37/1040311837.db2.gz UDOFWLYEWJYNDL-OAHLLOKOSA-N 1 2 326.831 3.690 20 30 EHEDLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000614160912 1040311853 /nfs/dbraw/zinc/31/18/53/1040311853.db2.gz UDOFWLYEWJYNDL-OAHLLOKOSA-N 1 2 326.831 3.690 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nc1-c1ccco1 ZINC000151228144 1040684254 /nfs/dbraw/zinc/68/42/54/1040684254.db2.gz AJIRCBURLVYFQH-OKILXGFUSA-N 1 2 330.457 3.549 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc1-c1ccco1 ZINC000151228144 1040684259 /nfs/dbraw/zinc/68/42/59/1040684259.db2.gz AJIRCBURLVYFQH-OKILXGFUSA-N 1 2 330.457 3.549 20 30 EHEDLO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cscn1 ZINC000661421353 1042112750 /nfs/dbraw/zinc/11/27/50/1042112750.db2.gz UOBOQUWDGXFVBA-LLVKDONJSA-N 1 2 326.343 3.744 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000162927953 1042770081 /nfs/dbraw/zinc/77/00/81/1042770081.db2.gz CQKXHYNYFCNPIP-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000162927953 1042770086 /nfs/dbraw/zinc/77/00/86/1042770086.db2.gz CQKXHYNYFCNPIP-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000344153967 1043342497 /nfs/dbraw/zinc/34/24/97/1043342497.db2.gz YPBRUWZNYOAWLX-LIRRHRJNSA-N 1 2 334.398 3.871 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OC(C)(C)C)n1 ZINC000512202008 1044110099 /nfs/dbraw/zinc/11/00/99/1044110099.db2.gz JHAJHLIRAMLQBV-UHFFFAOYSA-N 1 2 344.455 3.923 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OC(C)(C)C)n1 ZINC000512202008 1044110106 /nfs/dbraw/zinc/11/01/06/1044110106.db2.gz JHAJHLIRAMLQBV-UHFFFAOYSA-N 1 2 344.455 3.923 20 30 EHEDLO N#CCC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000153570381 1125633593 /nfs/dbraw/zinc/63/35/93/1125633593.db2.gz WNBCBFNRWHITTO-IBGZPJMESA-N 1 2 330.391 3.647 20 30 EHEDLO CCOc1ccc(/C=[NH+]/CCc2nc3c(s2)CCCC3)c(O)c1 ZINC000765501312 1127624196 /nfs/dbraw/zinc/62/41/96/1127624196.db2.gz WQEJTVNTGNTOCO-XDHOZWIPSA-N 1 2 330.453 3.788 20 30 EHEDLO C=CCC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000282239285 1128123653 /nfs/dbraw/zinc/12/36/53/1128123653.db2.gz IHKXCSGWMJBODN-INIZCTEOSA-N 1 2 327.472 3.672 20 30 EHEDLO N#Cc1cncc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000902388487 1128178428 /nfs/dbraw/zinc/17/84/28/1128178428.db2.gz NPBBEBHAADZPGB-UHFFFAOYSA-N 1 2 330.391 3.732 20 30 EHEDLO Cc1nnc(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)c(C#N)c1C ZINC000301874331 1128609752 /nfs/dbraw/zinc/60/97/52/1128609752.db2.gz LQBNMVITOPIWOD-UHFFFAOYSA-N 1 2 334.427 3.893 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921743334 1128714622 /nfs/dbraw/zinc/71/46/22/1128714622.db2.gz PGFFECFMVVDBSF-OAHLLOKOSA-N 1 2 327.428 3.943 20 30 EHEDLO C=CCOc1ccccc1C(=O)Nc1nc(C[NH+](CC)CC)cs1 ZINC000914448594 1120762994 /nfs/dbraw/zinc/76/29/94/1120762994.db2.gz PLXUYZNABQNSDK-UHFFFAOYSA-N 1 2 345.468 3.802 20 30 EHEDLO Cc1cc(C)cc(OCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761765075 1120896883 /nfs/dbraw/zinc/89/68/83/1120896883.db2.gz ICNMPDLZJZUZNJ-OAQYLSRUSA-N 1 2 336.435 3.627 20 30 EHEDLO Cc1cc(C)cc(OCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761765075 1120896885 /nfs/dbraw/zinc/89/68/85/1120896885.db2.gz ICNMPDLZJZUZNJ-OAQYLSRUSA-N 1 2 336.435 3.627 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000616135543 1123949228 /nfs/dbraw/zinc/94/92/28/1123949228.db2.gz YOKGSWIYONJOKU-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000616135543 1123949231 /nfs/dbraw/zinc/94/92/31/1123949231.db2.gz YOKGSWIYONJOKU-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[N@@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000153433211 1125152476 /nfs/dbraw/zinc/15/24/76/1125152476.db2.gz ZRYYNMCYQYWKAN-CVEARBPZSA-N 1 2 348.784 3.742 20 30 EHEDLO C[N@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000153433211 1125152478 /nfs/dbraw/zinc/15/24/78/1125152478.db2.gz ZRYYNMCYQYWKAN-CVEARBPZSA-N 1 2 348.784 3.742 20 30 EHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557413 1129274499 /nfs/dbraw/zinc/27/44/99/1129274499.db2.gz OHHUDUZZXCJMQI-UHFFFAOYSA-N 1 2 328.362 3.880 20 30 EHEDLO N#Cc1c(F)ccc(CNc2ccc(N3CCCC3)[nH+]c2)c1Cl ZINC000428862389 1129544118 /nfs/dbraw/zinc/54/41/18/1129544118.db2.gz NKIFXJHOUACPMI-UHFFFAOYSA-N 1 2 330.794 3.958 20 30 EHEDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428978915 1129658786 /nfs/dbraw/zinc/65/87/86/1129658786.db2.gz PPAGIBWVWNRELD-INIZCTEOSA-N 1 2 340.398 3.749 20 30 EHEDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428978915 1129658787 /nfs/dbraw/zinc/65/87/87/1129658787.db2.gz PPAGIBWVWNRELD-INIZCTEOSA-N 1 2 340.398 3.749 20 30 EHEDLO N#Cc1cncc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000929327349 1129796870 /nfs/dbraw/zinc/79/68/70/1129796870.db2.gz HFZAGYIFTXSINY-UHFFFAOYSA-N 1 2 339.826 3.702 20 30 EHEDLO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@H]1c1cccc(F)c1 ZINC000245411322 1130200252 /nfs/dbraw/zinc/20/02/52/1130200252.db2.gz WILOIMFGNRNKDL-SJKOYZFVSA-N 1 2 343.427 3.780 20 30 EHEDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]1c1cccc(F)c1 ZINC000245411322 1130200257 /nfs/dbraw/zinc/20/02/57/1130200257.db2.gz WILOIMFGNRNKDL-SJKOYZFVSA-N 1 2 343.427 3.780 20 30 EHEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2cc(F)c(F)cc2F)cc1 ZINC000734301526 1131217562 /nfs/dbraw/zinc/21/75/62/1131217562.db2.gz CMTUTZLMIDKGEQ-UHFFFAOYSA-N 1 2 332.329 3.900 20 30 EHEDLO COc1ccc(OC)c(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000737443674 1131449817 /nfs/dbraw/zinc/44/98/17/1131449817.db2.gz KSHBGDKEGGQKGU-GQCTYLIASA-N 1 2 342.782 3.901 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc2c(c1)OCCO2 ZINC000737444212 1131640727 /nfs/dbraw/zinc/64/07/27/1131640727.db2.gz PIMFHIBGQNJUFH-ARJAWSKDSA-N 1 2 340.766 3.655 20 30 EHEDLO N#CC1([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001173412304 1132067352 /nfs/dbraw/zinc/06/73/52/1132067352.db2.gz OSUMSVBOBCZQRA-UHFFFAOYSA-N 1 2 345.874 3.761 20 30 EHEDLO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001176555004 1132965204 /nfs/dbraw/zinc/96/52/04/1132965204.db2.gz HXVSJSYWGSGYDO-MRXNPFEDSA-N 1 2 345.855 3.510 20 30 EHEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001176555004 1132965214 /nfs/dbraw/zinc/96/52/14/1132965214.db2.gz HXVSJSYWGSGYDO-MRXNPFEDSA-N 1 2 345.855 3.510 20 30 EHEDLO COC(=O)c1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000767730773 1133044961 /nfs/dbraw/zinc/04/49/61/1133044961.db2.gz QUECUYYKPNZOOU-BQYQJAHWSA-N 1 2 340.766 3.670 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](CCC#N)CC(C)C ZINC000768153853 1133102195 /nfs/dbraw/zinc/10/21/95/1133102195.db2.gz MWTKCBZCCZHZGM-UHFFFAOYSA-N 1 2 328.435 4.000 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](CCC#N)CC(C)C ZINC000768153853 1133102199 /nfs/dbraw/zinc/10/21/99/1133102199.db2.gz MWTKCBZCCZHZGM-UHFFFAOYSA-N 1 2 328.435 4.000 20 30 EHEDLO Cn1cc(C=NNc2cc[nH+]c3ccccc23)c(-c2cccs2)n1 ZINC000769586512 1133316940 /nfs/dbraw/zinc/31/69/40/1133316940.db2.gz QELUZYFZSVJJQS-UHFFFAOYSA-N 1 2 333.420 3.565 20 30 EHEDLO Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3cccc4[nH+]ccn43)S2)c1 ZINC000769602794 1133321165 /nfs/dbraw/zinc/32/11/65/1133321165.db2.gz QSDQWPJULZTVNH-WJDWOHSUSA-N 1 2 348.431 3.843 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3OCC3CC3)CCO2)c1 ZINC000770390153 1133421461 /nfs/dbraw/zinc/42/14/61/1133421461.db2.gz KTWFGKKCZRVCNN-QFIPXVFZSA-N 1 2 348.446 3.921 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3OCC3CC3)CCO2)c1 ZINC000770390153 1133421466 /nfs/dbraw/zinc/42/14/66/1133421466.db2.gz KTWFGKKCZRVCNN-QFIPXVFZSA-N 1 2 348.446 3.921 20 30 EHEDLO COC(=O)c1sc(SC)c(C#N)c1Nc1ccc(C)[nH+]c1C ZINC001203367596 1133509442 /nfs/dbraw/zinc/50/94/42/1133509442.db2.gz MYVNGRKQDQOSFS-UHFFFAOYSA-N 1 2 333.438 3.884 20 30 EHEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NOC2CCOCC2)CC1 ZINC000774429161 1133676146 /nfs/dbraw/zinc/67/61/46/1133676146.db2.gz AEQTUXSCKLUNNK-UHFFFAOYSA-N 1 2 340.826 3.627 20 30 EHEDLO Cc1ccn(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c(=O)c1C#N ZINC000774638721 1133813725 /nfs/dbraw/zinc/81/37/25/1133813725.db2.gz UNGZSTTVZIDVPK-UHFFFAOYSA-N 1 2 341.842 3.519 20 30 EHEDLO COc1nc(N(C)C)sc1C=[NH+]Nc1ccc(C(F)(F)F)cc1 ZINC000746579667 1133836411 /nfs/dbraw/zinc/83/64/11/1133836411.db2.gz WCTNVVTWHCCTKR-UHFFFAOYSA-N 1 2 344.362 3.683 20 30 EHEDLO C[N@H+](CC(=O)N(O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC001184339006 1133928809 /nfs/dbraw/zinc/92/88/09/1133928809.db2.gz ATEZVPDEMUGPNV-UHFFFAOYSA-N 1 2 334.419 3.690 20 30 EHEDLO C[N@@H+](CC(=O)N(O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC001184339006 1133928813 /nfs/dbraw/zinc/92/88/13/1133928813.db2.gz ATEZVPDEMUGPNV-UHFFFAOYSA-N 1 2 334.419 3.690 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC001190846189 1134758819 /nfs/dbraw/zinc/75/88/19/1134758819.db2.gz JJIWWDQJAUODAY-FQEVSTJZSA-N 1 2 330.447 3.825 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000005290365 1134920223 /nfs/dbraw/zinc/92/02/23/1134920223.db2.gz GBQVKQYZJIKZJL-XSFVSMFZSA-N 1 2 345.443 3.908 20 30 EHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cc1ccccc1CC#N ZINC000794204622 1135026808 /nfs/dbraw/zinc/02/68/08/1135026808.db2.gz CEQMUDAVKZFEEY-UHFFFAOYSA-N 1 2 330.391 3.632 20 30 EHEDLO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)c(Br)c1 ZINC001192526311 1135031771 /nfs/dbraw/zinc/03/17/71/1135031771.db2.gz VYXCTXOVLZXZRS-SNVBAGLBSA-N 1 2 335.201 3.773 20 30 EHEDLO CCCCCCC[C@H](C)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001192939063 1135079484 /nfs/dbraw/zinc/07/94/84/1135079484.db2.gz WDLVGORKCJGIQZ-WMZOPIPTSA-N 1 2 333.476 3.993 20 30 EHEDLO CC[N@H+](Cc1cn(Cc2ccccc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000775576886 1135103735 /nfs/dbraw/zinc/10/37/35/1135103735.db2.gz GVMRFGSYNHEAPO-KRWDZBQOSA-N 1 2 345.450 3.781 20 30 EHEDLO CC[N@@H+](Cc1cn(Cc2ccccc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000775576886 1135103738 /nfs/dbraw/zinc/10/37/38/1135103738.db2.gz GVMRFGSYNHEAPO-KRWDZBQOSA-N 1 2 345.450 3.781 20 30 EHEDLO COc1ccc2c(c1)OC(C)(C)C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001195251823 1135399157 /nfs/dbraw/zinc/39/91/57/1135399157.db2.gz WZWLVOPRKCZIGV-UHFFFAOYSA-N 1 2 328.437 3.802 20 30 EHEDLO COc1ccc2c(c1)OC(C)(C)C[N@H+](Cc1ccc(C#N)s1)C2 ZINC001195251823 1135399162 /nfs/dbraw/zinc/39/91/62/1135399162.db2.gz WZWLVOPRKCZIGV-UHFFFAOYSA-N 1 2 328.437 3.802 20 30 EHEDLO COc1ccc(C#N)cc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001201578952 1136043048 /nfs/dbraw/zinc/04/30/48/1136043048.db2.gz RKUPJTDTIQPJSD-UHFFFAOYSA-N 1 2 343.184 3.721 20 30 EHEDLO CC(=NN[C@@H](C)COc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000811665048 1136118891 /nfs/dbraw/zinc/11/88/91/1136118891.db2.gz KXXMOPNNBAOUIM-INIZCTEOSA-N 1 2 334.423 3.653 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCc3nsc4ccccc34)CCO2)c1 ZINC000851882314 1136415402 /nfs/dbraw/zinc/41/54/02/1136415402.db2.gz YMPGMVMVRFSJQF-LJQANCHMSA-N 1 2 349.459 3.784 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCc3nsc4ccccc34)CCO2)c1 ZINC000851882314 1136415407 /nfs/dbraw/zinc/41/54/07/1136415407.db2.gz YMPGMVMVRFSJQF-LJQANCHMSA-N 1 2 349.459 3.784 20 30 EHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cc([N+](=O)[O-])ccc1F ZINC000814191434 1136415828 /nfs/dbraw/zinc/41/58/28/1136415828.db2.gz PWWWBBQIFBLFEK-RQOWECAXSA-N 1 2 343.339 3.877 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000852328307 1136448876 /nfs/dbraw/zinc/44/88/76/1136448876.db2.gz BQKJWUDZUALCFA-LJQANCHMSA-N 1 2 325.843 3.835 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000852328307 1136448877 /nfs/dbraw/zinc/44/88/77/1136448877.db2.gz BQKJWUDZUALCFA-LJQANCHMSA-N 1 2 325.843 3.835 20 30 EHEDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@](C#N)(c4ccccn4)C3)cc2c1 ZINC000852330731 1136449450 /nfs/dbraw/zinc/44/94/50/1136449450.db2.gz HBTNQMFCTIRXRC-JOCHJYFZSA-N 1 2 342.446 3.996 20 30 EHEDLO Cc1ccc2ncc(C[N@H+]3CCC[C@](C#N)(c4ccccn4)C3)cc2c1 ZINC000852330731 1136449453 /nfs/dbraw/zinc/44/94/53/1136449453.db2.gz HBTNQMFCTIRXRC-JOCHJYFZSA-N 1 2 342.446 3.996 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000852333069 1136450049 /nfs/dbraw/zinc/45/00/49/1136450049.db2.gz YSPOYYGTXLAXOO-OAQYLSRUSA-N 1 2 335.451 3.546 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000852333069 1136450051 /nfs/dbraw/zinc/45/00/51/1136450051.db2.gz YSPOYYGTXLAXOO-OAQYLSRUSA-N 1 2 335.451 3.546 20 30 EHEDLO CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(N)[nH+]c1 ZINC000814696378 1136492800 /nfs/dbraw/zinc/49/28/00/1136492800.db2.gz NGMNSXFJKGEIMM-UHFFFAOYSA-N 1 2 329.713 3.567 20 30 EHEDLO COCC(=NNc1cc[nH+]c2ccccc12)c1ccc(Cl)cc1 ZINC000814841285 1136514252 /nfs/dbraw/zinc/51/42/52/1136514252.db2.gz KBOHQTJDETTXGU-UHFFFAOYSA-N 1 2 325.799 3.773 20 30 EHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1cc(F)c(N)c(F)c1 ZINC000814905653 1136523198 /nfs/dbraw/zinc/52/31/98/1136523198.db2.gz MOAMFEPDEYZHGC-UHFFFAOYSA-N 1 2 341.159 3.541 20 30 EHEDLO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000854061700 1136584779 /nfs/dbraw/zinc/58/47/79/1136584779.db2.gz GUUZUDLCAHLDQA-KRWDZBQOSA-N 1 2 347.466 3.700 20 30 EHEDLO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000854061700 1136584781 /nfs/dbraw/zinc/58/47/81/1136584781.db2.gz GUUZUDLCAHLDQA-KRWDZBQOSA-N 1 2 347.466 3.700 20 30 EHEDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000114802219 1136838110 /nfs/dbraw/zinc/83/81/10/1136838110.db2.gz KOYOVUFGGZSHIR-MRXNPFEDSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000114802219 1136838113 /nfs/dbraw/zinc/83/81/13/1136838113.db2.gz KOYOVUFGGZSHIR-MRXNPFEDSA-N 1 2 339.439 3.664 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046892 1136934743 /nfs/dbraw/zinc/93/47/43/1136934743.db2.gz QOHATLAIFNFVGU-IBGZPJMESA-N 1 2 337.398 3.623 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046892 1136934745 /nfs/dbraw/zinc/93/47/45/1136934745.db2.gz QOHATLAIFNFVGU-IBGZPJMESA-N 1 2 337.398 3.623 20 30 EHEDLO CC(C)n1c[nH+]cc1CN=Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000819803784 1136963148 /nfs/dbraw/zinc/96/31/48/1136963148.db2.gz WZJWCQPZXIWXQK-UHFFFAOYSA-N 1 2 348.332 3.872 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCCc1cnn(-c2ccccc2)c1 ZINC000820614939 1136998392 /nfs/dbraw/zinc/99/83/92/1136998392.db2.gz AKYAQWLTFVQENN-UHFFFAOYSA-N 1 2 346.434 3.714 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCN(c2ccccc2)C1 ZINC000820624941 1136998893 /nfs/dbraw/zinc/99/88/93/1136998893.db2.gz WQQQAAMNFGOGMB-SFHVURJKSA-N 1 2 335.451 3.812 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000117862505 1137085167 /nfs/dbraw/zinc/08/51/67/1137085167.db2.gz NXGZMSYGKZTFJC-UHFFFAOYSA-N 1 2 334.423 3.599 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2ccccc2)n1 ZINC000117862505 1137085168 /nfs/dbraw/zinc/08/51/68/1137085168.db2.gz NXGZMSYGKZTFJC-UHFFFAOYSA-N 1 2 334.423 3.599 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccnc(C(F)(F)F)c1 ZINC000863182004 1137173179 /nfs/dbraw/zinc/17/31/79/1137173179.db2.gz VYNLWZVPVUJUFL-UHFFFAOYSA-N 1 2 334.345 3.904 20 30 EHEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143726297 1137194406 /nfs/dbraw/zinc/19/44/06/1137194406.db2.gz LCLBZRQUEQEMTD-AWEZNQCLSA-N 1 2 334.847 3.765 20 30 EHEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143726297 1137194408 /nfs/dbraw/zinc/19/44/08/1137194408.db2.gz LCLBZRQUEQEMTD-AWEZNQCLSA-N 1 2 334.847 3.765 20 30 EHEDLO CCCc1noc([C@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730871 1137194672 /nfs/dbraw/zinc/19/46/72/1137194672.db2.gz CVYXVZTZDJMXJX-AWEZNQCLSA-N 1 2 344.846 3.927 20 30 EHEDLO CCCc1noc([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730871 1137194674 /nfs/dbraw/zinc/19/46/74/1137194674.db2.gz CVYXVZTZDJMXJX-AWEZNQCLSA-N 1 2 344.846 3.927 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(OC(F)F)cc2)s1 ZINC000794689772 1137235548 /nfs/dbraw/zinc/23/55/48/1137235548.db2.gz DTJAYJYIXRAJIL-BQYQJAHWSA-N 1 2 338.379 3.702 20 30 EHEDLO CSc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1F ZINC000794703993 1137240154 /nfs/dbraw/zinc/24/01/54/1137240154.db2.gz XWHUFEYQJOQWBC-FNORWQNLSA-N 1 2 336.457 3.962 20 30 EHEDLO CC[C@@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000865291240 1137274678 /nfs/dbraw/zinc/27/46/78/1137274678.db2.gz UTVXBAQCUAMOMM-ZIAGYGMSSA-N 1 2 327.453 3.737 20 30 EHEDLO CC[C@@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000865291240 1137274680 /nfs/dbraw/zinc/27/46/80/1137274680.db2.gz UTVXBAQCUAMOMM-ZIAGYGMSSA-N 1 2 327.453 3.737 20 30 EHEDLO N#Cc1cccc(C2CC[NH+](Cc3cc(F)c(O)cc3F)CC2)c1 ZINC001144665392 1137324787 /nfs/dbraw/zinc/32/47/87/1137324787.db2.gz AFNPTZJPRJTMDS-UHFFFAOYSA-N 1 2 328.362 3.922 20 30 EHEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cccc2ncccc21 ZINC000794894052 1137329275 /nfs/dbraw/zinc/32/92/75/1137329275.db2.gz BSNIQVCGHPKANB-UHFFFAOYSA-N 1 2 342.406 3.757 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1O ZINC000866242832 1137338318 /nfs/dbraw/zinc/33/83/18/1137338318.db2.gz MZXDVSBCCSKRAP-LSDHHAIUSA-N 1 2 349.434 3.802 20 30 EHEDLO C[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccc(OCC#N)cc1 ZINC000866295085 1137343427 /nfs/dbraw/zinc/34/34/27/1137343427.db2.gz RMLJUHPXTNYJQD-BOFPYLFWSA-N 1 2 326.371 3.711 20 30 EHEDLO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866356173 1137348844 /nfs/dbraw/zinc/34/88/44/1137348844.db2.gz JPKSXWZKUXEFSC-SJKOYZFVSA-N 1 2 330.815 3.692 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001171230357 1137355972 /nfs/dbraw/zinc/35/59/72/1137355972.db2.gz UWKNCFMMLVDRBZ-XOBRGWDASA-N 1 2 342.389 3.841 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001171230357 1137355974 /nfs/dbraw/zinc/35/59/74/1137355974.db2.gz UWKNCFMMLVDRBZ-XOBRGWDASA-N 1 2 342.389 3.841 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1nc(Br)ccc1F ZINC000794973758 1137382304 /nfs/dbraw/zinc/38/23/04/1137382304.db2.gz YIWKGBBOVBRYOR-GQCTYLIASA-N 1 2 346.159 3.527 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000847032331 1137383731 /nfs/dbraw/zinc/38/37/31/1137383731.db2.gz SMRSQCRFAMUQEP-NWDGAFQWSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000847032331 1137383732 /nfs/dbraw/zinc/38/37/32/1137383732.db2.gz SMRSQCRFAMUQEP-NWDGAFQWSA-N 1 2 325.239 3.666 20 30 EHEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000282715438 1137441145 /nfs/dbraw/zinc/44/11/45/1137441145.db2.gz BSOJXBTWJYVERI-UHFFFAOYSA-N 1 2 325.460 3.646 20 30 EHEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000282715438 1137441146 /nfs/dbraw/zinc/44/11/46/1137441146.db2.gz BSOJXBTWJYVERI-UHFFFAOYSA-N 1 2 325.460 3.646 20 30 EHEDLO C=C1CC[NH+](Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 ZINC000876694694 1137659330 /nfs/dbraw/zinc/65/93/30/1137659330.db2.gz MSRRQLFSKZAGSJ-UHFFFAOYSA-N 1 2 335.448 3.586 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000876964953 1137666345 /nfs/dbraw/zinc/66/63/45/1137666345.db2.gz WFANLOLKTIJPQM-CQSZACIVSA-N 1 2 334.206 3.873 20 30 EHEDLO C#C[C@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000877512936 1137679120 /nfs/dbraw/zinc/67/91/20/1137679120.db2.gz GOKXVRGKSCDHEO-CQSZACIVSA-N 1 2 347.871 3.983 20 30 EHEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877594111 1137682370 /nfs/dbraw/zinc/68/23/70/1137682370.db2.gz BUDLBMIWJABWQA-TZMCWYRMSA-N 1 2 349.862 3.549 20 30 EHEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877594111 1137682371 /nfs/dbraw/zinc/68/23/71/1137682371.db2.gz BUDLBMIWJABWQA-TZMCWYRMSA-N 1 2 349.862 3.549 20 30 EHEDLO COc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)c(C#N)c1 ZINC001212781617 1137692410 /nfs/dbraw/zinc/69/24/10/1137692410.db2.gz BKKKXQYRPFEMDM-UHFFFAOYSA-N 1 2 343.184 3.721 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)CCO2)c1 ZINC000878322668 1137711036 /nfs/dbraw/zinc/71/10/36/1137711036.db2.gz MKDCTHMFGYEDTC-BDTNDASRSA-N 1 2 348.446 3.852 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CC[C@H](c4ccccc4)O3)CCO2)c1 ZINC000878322668 1137711037 /nfs/dbraw/zinc/71/10/37/1137711037.db2.gz MKDCTHMFGYEDTC-BDTNDASRSA-N 1 2 348.446 3.852 20 30 EHEDLO Cc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)sc1Br ZINC000878363875 1137712767 /nfs/dbraw/zinc/71/27/67/1137712767.db2.gz AOKVARLDCDXGBY-UHFFFAOYSA-N 1 2 348.269 3.865 20 30 EHEDLO C[C@H]1c2sccc2CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000880377796 1137777090 /nfs/dbraw/zinc/77/70/90/1137777090.db2.gz FLTRKTLMWQJSDI-LBPRGKRZSA-N 1 2 336.420 3.789 20 30 EHEDLO C[C@H]1c2sccc2CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000880377796 1137777091 /nfs/dbraw/zinc/77/70/91/1137777091.db2.gz FLTRKTLMWQJSDI-LBPRGKRZSA-N 1 2 336.420 3.789 20 30 EHEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880458594 1137779091 /nfs/dbraw/zinc/77/90/91/1137779091.db2.gz YICJBUKBXUHBFH-UHFFFAOYSA-N 1 2 349.272 3.856 20 30 EHEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C1CC1 ZINC000881124666 1137800700 /nfs/dbraw/zinc/80/07/00/1137800700.db2.gz SVDNLSBMWLPMJP-CQSZACIVSA-N 1 2 335.411 3.570 20 30 EHEDLO COc1cccc2c1OCCC[C@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000883330746 1137855637 /nfs/dbraw/zinc/85/56/37/1137855637.db2.gz KVVUQHHTMGVVBU-CXAGYDPISA-N 1 2 338.407 3.837 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1c(Cl)nc2sccn21 ZINC000132801879 1137869965 /nfs/dbraw/zinc/86/99/65/1137869965.db2.gz VZJMYVVLULZTDW-SNAWJCMRSA-N 1 2 328.784 3.593 20 30 EHEDLO N#C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1cccc(Cl)c1Cl ZINC000331798996 1137921263 /nfs/dbraw/zinc/92/12/63/1137921263.db2.gz QCFRHPCYCNZNPK-MFKMUULPSA-N 1 2 349.221 3.517 20 30 EHEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Br)on1 ZINC000331881669 1137924369 /nfs/dbraw/zinc/92/43/69/1137924369.db2.gz ZSNUGVHUXNRUCK-OAHLLOKOSA-N 1 2 346.228 3.954 20 30 EHEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Br)on1 ZINC000331881669 1137924368 /nfs/dbraw/zinc/92/43/68/1137924368.db2.gz ZSNUGVHUXNRUCK-OAHLLOKOSA-N 1 2 346.228 3.954 20 30 EHEDLO C[C@@H](c1cccnc1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332667 1137972848 /nfs/dbraw/zinc/97/28/48/1137972848.db2.gz VHBSMMPPMLUANH-HNAYVOBHSA-N 1 2 340.858 3.678 20 30 EHEDLO CSc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1C#N ZINC000886690051 1138115987 /nfs/dbraw/zinc/11/59/87/1138115987.db2.gz NOUJSXJRPCWEKS-MAUKXSAKSA-N 1 2 328.412 3.842 20 30 EHEDLO CC1(C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCS1 ZINC000083415134 1138175802 /nfs/dbraw/zinc/17/58/02/1138175802.db2.gz RABIJKGGCSIFDM-UHFFFAOYSA-N 1 2 341.480 3.565 20 30 EHEDLO CC1(C)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCS1 ZINC000083415134 1138175806 /nfs/dbraw/zinc/17/58/06/1138175806.db2.gz RABIJKGGCSIFDM-UHFFFAOYSA-N 1 2 341.480 3.565 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(C#N)cs3)n2)CC1 ZINC000084281975 1138179313 /nfs/dbraw/zinc/17/93/13/1138179313.db2.gz QLHHZDLABHXUJK-UHFFFAOYSA-N 1 2 346.481 3.560 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000173904175 1139385992 /nfs/dbraw/zinc/38/59/92/1139385992.db2.gz FXACRIDBMNFCOB-GJZGRUSLSA-N 1 2 332.407 3.944 20 30 EHEDLO C[C@@H]1SCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000174868158 1139446989 /nfs/dbraw/zinc/44/69/89/1139446989.db2.gz ZVNPRVTUFLWBAE-GJZGRUSLSA-N 1 2 341.480 3.563 20 30 EHEDLO C[C@@H]1SCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000174868158 1139446991 /nfs/dbraw/zinc/44/69/91/1139446991.db2.gz ZVNPRVTUFLWBAE-GJZGRUSLSA-N 1 2 341.480 3.563 20 30 EHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000175409137 1139489086 /nfs/dbraw/zinc/48/90/86/1139489086.db2.gz FTIYASXCZQUGPK-ZLOXQWCVSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000175409137 1139489089 /nfs/dbraw/zinc/48/90/89/1139489089.db2.gz FTIYASXCZQUGPK-ZLOXQWCVSA-N 1 2 330.428 3.628 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184894340 1140124622 /nfs/dbraw/zinc/12/46/22/1140124622.db2.gz KMWMQCWKVPVCBA-HZPDHXFCSA-N 1 2 341.455 3.805 20 30 EHEDLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)s1 ZINC000185041447 1140133014 /nfs/dbraw/zinc/13/30/14/1140133014.db2.gz GYYNTIQNKTTZLP-SNVBAGLBSA-N 1 2 336.258 3.937 20 30 EHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000185479445 1140151976 /nfs/dbraw/zinc/15/19/76/1140151976.db2.gz MZWCRNRMSOWHHB-JTQLQIEISA-N 1 2 338.889 3.613 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185963864 1140179569 /nfs/dbraw/zinc/17/95/69/1140179569.db2.gz SZBWJOQRFBUDRJ-LLVKDONJSA-N 1 2 349.422 3.627 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(n2cc[nH+]c2)CC1 ZINC000266329865 1140669076 /nfs/dbraw/zinc/66/90/76/1140669076.db2.gz GSUSOMFNMHCPMG-UHFFFAOYSA-N 1 2 335.386 3.592 20 30 EHEDLO C[C@H]1CCN(c2cccc(Br)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000367956739 524308099 /nfs/dbraw/zinc/30/80/99/524308099.db2.gz NUIOMXTUKNVRNQ-BLLLJJGKSA-N 1 2 345.244 3.605 20 30 EHEDLO Cc1cnc(N2CCC(n3cc[nH+]c3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001167126131 1016205167 /nfs/dbraw/zinc/20/51/67/1016205167.db2.gz OYTVWLISMSWSAX-UHFFFAOYSA-N 1 2 338.531 3.657 20 30 EHEDLO C=C[C@H](C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235518361 1036834377 /nfs/dbraw/zinc/83/43/77/1036834377.db2.gz TXCHUDKUVUHNHJ-ZETCQYMHSA-N 1 2 335.039 3.581 20 30 EHEDLO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)c2nccn2C)cc1 ZINC000181451998 1016689044 /nfs/dbraw/zinc/68/90/44/1016689044.db2.gz DIZXYDZGHRBGOP-MGPUTAFESA-N 1 2 346.434 3.741 20 30 EHEDLO CCOC(=O)Nc1ccc(NCc2c[nH+]c3c(C)cccn23)cc1C#N ZINC000181508584 1016976416 /nfs/dbraw/zinc/97/64/16/1016976416.db2.gz ZBWAUSWRNCMHEP-UHFFFAOYSA-N 1 2 349.394 3.695 20 30 EHEDLO C=C(C)[C@H](NC(=O)Nc1cc(C)[nH+]cc1C)c1ccc(F)c(F)c1 ZINC000547833520 1016999871 /nfs/dbraw/zinc/99/98/71/1016999871.db2.gz CNWQDBOAIFIOPL-KRWDZBQOSA-N 1 2 331.366 3.837 20 30 EHEDLO Cc1cccn2c(/C=C3\CCc4ccc([N+](=O)[O-])cc4C3=O)c[nH+]c12 ZINC000588598658 1032450861 /nfs/dbraw/zinc/45/08/61/1032450861.db2.gz UIRDSWGDBHMSJQ-NTEUORMPSA-N 1 2 333.347 3.763 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000537253915 1032584702 /nfs/dbraw/zinc/58/47/02/1032584702.db2.gz ZZQFAASENPIDKY-SJORKVTESA-N 1 2 345.487 3.946 20 30 EHEDLO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602002708 1032589560 /nfs/dbraw/zinc/58/95/60/1032589560.db2.gz ARZJUOZFESNHMT-UHFFFAOYSA-N 1 2 339.414 3.972 20 30 EHEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000565048873 1017452374 /nfs/dbraw/zinc/45/23/74/1017452374.db2.gz WGIUVYWZUPHZMX-GFCCVEGCSA-N 1 2 344.440 3.987 20 30 EHEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000565048873 1017452385 /nfs/dbraw/zinc/45/23/85/1017452385.db2.gz WGIUVYWZUPHZMX-GFCCVEGCSA-N 1 2 344.440 3.987 20 30 EHEDLO COc1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)ccc1C#N ZINC000340552579 1018402803 /nfs/dbraw/zinc/40/28/03/1018402803.db2.gz DRWHYODZSUFNOU-UHFFFAOYSA-N 1 2 337.301 3.515 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2cccnc2)no1 ZINC000177695493 1018532233 /nfs/dbraw/zinc/53/22/33/1018532233.db2.gz WQOWWKIWMBAPBR-OAHLLOKOSA-N 1 2 339.424 3.552 20 30 EHEDLO C=CC[N@H+](CC(=O)NC1CCCCCC1)Cc1ccc(OC)cc1 ZINC000614352541 1018779449 /nfs/dbraw/zinc/77/94/49/1018779449.db2.gz HDMPTJZBRWMGIZ-UHFFFAOYSA-N 1 2 330.472 3.522 20 30 EHEDLO C=CC[N@@H+](CC(=O)NC1CCCCCC1)Cc1ccc(OC)cc1 ZINC000614352541 1018779455 /nfs/dbraw/zinc/77/94/55/1018779455.db2.gz HDMPTJZBRWMGIZ-UHFFFAOYSA-N 1 2 330.472 3.522 20 30 EHEDLO COc1cccc2cc(C[N@@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)oc21 ZINC000897591612 1032861154 /nfs/dbraw/zinc/86/11/54/1032861154.db2.gz NWCODFWOIMDHMN-FQEVSTJZSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1cccc2cc(C[N@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)oc21 ZINC000897591612 1032861168 /nfs/dbraw/zinc/86/11/68/1032861168.db2.gz NWCODFWOIMDHMN-FQEVSTJZSA-N 1 2 348.402 3.887 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nn(CCC)c1C ZINC000348654256 1019948854 /nfs/dbraw/zinc/94/88/54/1019948854.db2.gz XHMNRTBBHXUBSG-UHFFFAOYSA-N 1 2 331.460 3.574 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nn(CCC)c1C ZINC000348654256 1019948864 /nfs/dbraw/zinc/94/88/64/1019948864.db2.gz XHMNRTBBHXUBSG-UHFFFAOYSA-N 1 2 331.460 3.574 20 30 EHEDLO COc1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000782233100 1020788205 /nfs/dbraw/zinc/78/82/05/1020788205.db2.gz XKBMWECITIZPTB-UHFFFAOYSA-N 1 2 326.787 3.980 20 30 EHEDLO C#C[C@@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccc(Br)cc1 ZINC000894872174 1021552536 /nfs/dbraw/zinc/55/25/36/1021552536.db2.gz ZBYAZJITCJLZBE-YVEFUNNKSA-N 1 2 344.256 3.881 20 30 EHEDLO C#CC[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H]1CCCc2ccccc21 ZINC000933422107 1021709549 /nfs/dbraw/zinc/70/95/49/1021709549.db2.gz RCAVIKPYMSPWRK-QGZVFWFLSA-N 1 2 333.391 3.842 20 30 EHEDLO C#CC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H]1CCCc2ccccc21 ZINC000933422107 1021709560 /nfs/dbraw/zinc/70/95/60/1021709560.db2.gz RCAVIKPYMSPWRK-QGZVFWFLSA-N 1 2 333.391 3.842 20 30 EHEDLO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1cccc(C#N)c1 ZINC000026326111 1033029865 /nfs/dbraw/zinc/02/98/65/1033029865.db2.gz NPEXTCIWAPXABQ-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1cccc(C#N)c1 ZINC000026326111 1033029886 /nfs/dbraw/zinc/02/98/86/1033029886.db2.gz NPEXTCIWAPXABQ-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000331356971 1022800007 /nfs/dbraw/zinc/80/00/07/1022800007.db2.gz SPMPNHOSWGYBCE-KWBADKCTSA-N 1 2 326.227 3.602 20 30 EHEDLO C=CCCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430960302 1022970180 /nfs/dbraw/zinc/97/01/80/1022970180.db2.gz IDJOANAEJVOHIT-UHFFFAOYSA-N 1 2 346.862 3.715 20 30 EHEDLO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000933780794 1022979580 /nfs/dbraw/zinc/97/95/80/1022979580.db2.gz VPOPDOLLBSCPCB-OAHLLOKOSA-N 1 2 341.480 3.546 20 30 EHEDLO Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000933780794 1022979597 /nfs/dbraw/zinc/97/95/97/1022979597.db2.gz VPOPDOLLBSCPCB-OAHLLOKOSA-N 1 2 341.480 3.546 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1COc2ccccc2O1 ZINC000610604321 1022984871 /nfs/dbraw/zinc/98/48/71/1022984871.db2.gz PEUJAZGAEJWOBL-OTWHNJEPSA-N 1 2 334.419 3.598 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC000610604321 1022984877 /nfs/dbraw/zinc/98/48/77/1022984877.db2.gz PEUJAZGAEJWOBL-OTWHNJEPSA-N 1 2 334.419 3.598 20 30 EHEDLO N#CC1(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCC1 ZINC000598315247 1033094356 /nfs/dbraw/zinc/09/43/56/1033094356.db2.gz LXCYTTTUKFMSNJ-KRWDZBQOSA-N 1 2 336.439 3.522 20 30 EHEDLO N#CC1CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000439033270 1023224805 /nfs/dbraw/zinc/22/48/05/1023224805.db2.gz LISLICOYBCUWPF-UHFFFAOYSA-N 1 2 349.438 3.654 20 30 EHEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000594010013 1033158253 /nfs/dbraw/zinc/15/82/53/1033158253.db2.gz VDEJQFAVGXPPIH-HXUWFJFHSA-N 1 2 349.478 3.607 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cc(Cl)cc2c1OCC2 ZINC000342018762 1023760618 /nfs/dbraw/zinc/76/06/18/1023760618.db2.gz NUIWKZSZSAWKJB-UHFFFAOYSA-N 1 2 343.814 3.965 20 30 EHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C)CCCOC3)n2)C1 ZINC000329709030 1024111406 /nfs/dbraw/zinc/11/14/06/1024111406.db2.gz MSZMQESJTPDXML-SUMWQHHRSA-N 1 2 337.489 3.780 20 30 EHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C)CCCOC3)n2)C1 ZINC000329709030 1024111412 /nfs/dbraw/zinc/11/14/12/1024111412.db2.gz MSZMQESJTPDXML-SUMWQHHRSA-N 1 2 337.489 3.780 20 30 EHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCCC23CCCC3)C1 ZINC000329832393 1024214672 /nfs/dbraw/zinc/21/46/72/1024214672.db2.gz TYLAKAHJYGQLCE-HZPDHXFCSA-N 1 2 330.476 3.626 20 30 EHEDLO O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000330160307 1024338102 /nfs/dbraw/zinc/33/81/02/1024338102.db2.gz RAXWGXGNXUTIIW-UHFFFAOYSA-N 1 2 336.391 3.551 20 30 EHEDLO O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000330160307 1024338117 /nfs/dbraw/zinc/33/81/17/1024338117.db2.gz RAXWGXGNXUTIIW-UHFFFAOYSA-N 1 2 336.391 3.551 20 30 EHEDLO CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC000330201661 1024353513 /nfs/dbraw/zinc/35/35/13/1024353513.db2.gz YCYFYVYDWFKORD-GPANFISMSA-N 1 2 349.450 3.599 20 30 EHEDLO CC1CCC(NC(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC000330201661 1024353531 /nfs/dbraw/zinc/35/35/31/1024353531.db2.gz YCYFYVYDWFKORD-GPANFISMSA-N 1 2 349.450 3.599 20 30 EHEDLO C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330283437 1024385256 /nfs/dbraw/zinc/38/52/56/1024385256.db2.gz BJCRXNMVZOKDQW-HDMKZQKVSA-N 1 2 349.475 3.725 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCc1ccc(Cl)s1)Cc1cccs1 ZINC000051824483 1024446143 /nfs/dbraw/zinc/44/61/43/1024446143.db2.gz PJZYRENRKIPAML-UHFFFAOYSA-N 1 2 340.901 3.767 20 30 EHEDLO C=CC[N@H+](CC(=O)NCc1ccc(Cl)s1)Cc1cccs1 ZINC000051824483 1024446150 /nfs/dbraw/zinc/44/61/50/1024446150.db2.gz PJZYRENRKIPAML-UHFFFAOYSA-N 1 2 340.901 3.767 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(C#N)c(F)c1 ZINC000346146485 1024447960 /nfs/dbraw/zinc/44/79/60/1024447960.db2.gz BRBUSAFEFHCKLR-KGLIPLIRSA-N 1 2 335.386 3.690 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1cccs1 ZINC000019540573 1025176442 /nfs/dbraw/zinc/17/64/42/1025176442.db2.gz PBJLKLCPDSIODY-UHFFFAOYSA-N 1 2 326.465 3.864 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)Cc1cccs1 ZINC000019540573 1025176449 /nfs/dbraw/zinc/17/64/49/1025176449.db2.gz PBJLKLCPDSIODY-UHFFFAOYSA-N 1 2 326.465 3.864 20 30 EHEDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000505752286 1025355739 /nfs/dbraw/zinc/35/57/39/1025355739.db2.gz ZVRDMZNZVKJVMX-UHFFFAOYSA-N 1 2 331.872 3.904 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1cccs1 ZINC000060942801 1033279043 /nfs/dbraw/zinc/27/90/43/1033279043.db2.gz TWYJLJWXAACKHD-UHFFFAOYSA-N 1 2 348.899 3.748 20 30 EHEDLO C=CC[N@H+](CC(=O)NCCc1ccc(Cl)cc1)Cc1cccs1 ZINC000060942801 1033279046 /nfs/dbraw/zinc/27/90/46/1033279046.db2.gz TWYJLJWXAACKHD-UHFFFAOYSA-N 1 2 348.899 3.748 20 30 EHEDLO C=CCC(CC=C)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281761774 1025452051 /nfs/dbraw/zinc/45/20/51/1025452051.db2.gz KGLCSXAFCRXLLP-KRWDZBQOSA-N 1 2 327.472 3.694 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000428258860 1025472626 /nfs/dbraw/zinc/47/26/26/1025472626.db2.gz XSPAYHRLRRGGPE-INIZCTEOSA-N 1 2 340.373 3.931 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000428258860 1025472636 /nfs/dbraw/zinc/47/26/36/1025472636.db2.gz XSPAYHRLRRGGPE-INIZCTEOSA-N 1 2 340.373 3.931 20 30 EHEDLO CC1=CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000436263385 1025520212 /nfs/dbraw/zinc/52/02/12/1025520212.db2.gz HHMPRCHYJVJHQR-OAHLLOKOSA-N 1 2 329.469 3.671 20 30 EHEDLO CC1=CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000436263385 1025520220 /nfs/dbraw/zinc/52/02/20/1025520220.db2.gz HHMPRCHYJVJHQR-OAHLLOKOSA-N 1 2 329.469 3.671 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccncc1F ZINC000347143657 1025568144 /nfs/dbraw/zinc/56/81/44/1025568144.db2.gz AFKLWLXTPLEGAZ-SNVBAGLBSA-N 1 2 334.192 3.706 20 30 EHEDLO COc1cc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)ccc1C#N ZINC000281836287 1025581424 /nfs/dbraw/zinc/58/14/24/1025581424.db2.gz YDGPHXNSQQUEAO-SECBINFHSA-N 1 2 341.358 3.893 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(Cl)c1 ZINC000451278504 1025748268 /nfs/dbraw/zinc/74/82/68/1025748268.db2.gz CSHAAWQQVFUOHP-MJGOQNOKSA-N 1 2 344.817 3.512 20 30 EHEDLO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(Cl)c1 ZINC000451278504 1025748276 /nfs/dbraw/zinc/74/82/76/1025748276.db2.gz CSHAAWQQVFUOHP-MJGOQNOKSA-N 1 2 344.817 3.512 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(Cl)c1 ZINC000451278489 1025748723 /nfs/dbraw/zinc/74/87/23/1025748723.db2.gz CSHAAWQQVFUOHP-HKUYNNGSSA-N 1 2 344.817 3.512 20 30 EHEDLO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(Cl)c1 ZINC000451278489 1025748737 /nfs/dbraw/zinc/74/87/37/1025748737.db2.gz CSHAAWQQVFUOHP-HKUYNNGSSA-N 1 2 344.817 3.512 20 30 EHEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505773 1025936236 /nfs/dbraw/zinc/93/62/36/1025936236.db2.gz ZKVDIKFBGCOQFA-GOEBONIOSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505773 1025936253 /nfs/dbraw/zinc/93/62/53/1025936253.db2.gz ZKVDIKFBGCOQFA-GOEBONIOSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)n1 ZINC000329505773 1025936268 /nfs/dbraw/zinc/93/62/68/1025936268.db2.gz ZKVDIKFBGCOQFA-GOEBONIOSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)n1 ZINC000329505773 1025936287 /nfs/dbraw/zinc/93/62/87/1025936287.db2.gz ZKVDIKFBGCOQFA-GOEBONIOSA-N 1 2 341.459 3.586 20 30 EHEDLO C[NH+](C)Cc1cccc(C(O)=C(C#N)c2nc3ccccc3s2)c1 ZINC000436694611 1026053779 /nfs/dbraw/zinc/05/37/79/1026053779.db2.gz BGJXKHBZBPFDLV-HNNXBMFYSA-N 1 2 335.432 3.848 20 30 EHEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)CC3CCCC3)CC2)s1 ZINC000329600627 1026056313 /nfs/dbraw/zinc/05/63/13/1026056313.db2.gz QBSRYENZXHBQCP-GFCCVEGCSA-N 1 2 336.505 3.909 20 30 EHEDLO C=CCOCCCC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277673255 1026510363 /nfs/dbraw/zinc/51/03/63/1026510363.db2.gz KSUKAJOCDIGKMW-UHFFFAOYSA-N 1 2 339.439 3.808 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccnn1C1CCCC1 ZINC000453047376 1027260550 /nfs/dbraw/zinc/26/05/50/1027260550.db2.gz IHWFFTUUOWOMMQ-UHFFFAOYSA-N 1 2 325.416 3.688 20 30 EHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503387577 1027755787 /nfs/dbraw/zinc/75/57/87/1027755787.db2.gz VVVQBYJFPFDPEE-UHFFFAOYSA-N 1 2 335.426 3.724 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347342720 1027988405 /nfs/dbraw/zinc/98/84/05/1027988405.db2.gz FLWZYSNRCJMRSC-RDTXWAMCSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347342720 1027988411 /nfs/dbraw/zinc/98/84/11/1027988411.db2.gz FLWZYSNRCJMRSC-RDTXWAMCSA-N 1 2 342.439 3.698 20 30 EHEDLO Cc1nc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)sc1C ZINC000533589927 1028143446 /nfs/dbraw/zinc/14/34/46/1028143446.db2.gz LJRPPMDTCAZUER-UHFFFAOYSA-N 1 2 345.899 3.587 20 30 EHEDLO N#Cc1ccccc1CNc1c(Br)ccc2[nH+]ccn21 ZINC001167637468 1028228424 /nfs/dbraw/zinc/22/84/24/1028228424.db2.gz ZLIWVAQMRPANKV-UHFFFAOYSA-N 1 2 327.185 3.581 20 30 EHEDLO Cc1ccccc1[C@H]([C@H](C)NCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000421399123 1028346941 /nfs/dbraw/zinc/34/69/41/1028346941.db2.gz SYWHNIYJEAQUQR-YWZLYKJASA-N 1 2 325.431 3.787 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000073659293 1028568812 /nfs/dbraw/zinc/56/88/12/1028568812.db2.gz JHGLIDRLFIUVRV-CQSZACIVSA-N 1 2 346.521 3.771 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000073659293 1028568821 /nfs/dbraw/zinc/56/88/21/1028568821.db2.gz JHGLIDRLFIUVRV-CQSZACIVSA-N 1 2 346.521 3.771 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C#N ZINC000532744961 1028762637 /nfs/dbraw/zinc/76/26/37/1028762637.db2.gz HNDYQVBOTKRDLU-UXHICEINSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C#N ZINC000532744961 1028762655 /nfs/dbraw/zinc/76/26/55/1028762655.db2.gz HNDYQVBOTKRDLU-UXHICEINSA-N 1 2 331.419 3.839 20 30 EHEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)nn1 ZINC000424289893 1028934527 /nfs/dbraw/zinc/93/45/27/1028934527.db2.gz AOBVTAUGEFBUCA-GOSISDBHSA-N 1 2 326.444 3.591 20 30 EHEDLO C=CC(C)(C)CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000454521366 1029009033 /nfs/dbraw/zinc/00/90/33/1029009033.db2.gz YIKLNVGDNJIUKR-HOTGVXAUSA-N 1 2 345.487 3.630 20 30 EHEDLO C=CC(C)(C)CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454521372 1029009848 /nfs/dbraw/zinc/00/98/48/1029009848.db2.gz YIKLNVGDNJIUKR-IYBDPMFKSA-N 1 2 345.487 3.630 20 30 EHEDLO C=CC(C)(C)CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454521372 1029009863 /nfs/dbraw/zinc/00/98/63/1029009863.db2.gz YIKLNVGDNJIUKR-IYBDPMFKSA-N 1 2 345.487 3.630 20 30 EHEDLO Cc1[nH]c2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2[nH+]1 ZINC000505225765 1029375388 /nfs/dbraw/zinc/37/53/88/1029375388.db2.gz TTZIXFYSSXCNJZ-UHFFFAOYSA-N 1 2 336.370 3.798 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272530790 1029499914 /nfs/dbraw/zinc/49/99/14/1029499914.db2.gz IJJWMERAOGRNEP-OAHLLOKOSA-N 1 2 327.472 3.937 20 30 EHEDLO CC(C)(C)c1ccc(-c2noc([C@H]3CC[NH2+]CC3(F)F)n2)c(C#N)c1 ZINC001211580974 1029832401 /nfs/dbraw/zinc/83/24/01/1029832401.db2.gz WUSNJDHLIJAPED-CQSZACIVSA-N 1 2 346.381 3.618 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(C#N)cc1 ZINC000340424669 1029872751 /nfs/dbraw/zinc/87/27/51/1029872751.db2.gz KJTMZBXLKWIMPU-GHMZBOCLSA-N 1 2 331.217 3.523 20 30 EHEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1C(F)(F)F ZINC000428689639 1029913306 /nfs/dbraw/zinc/91/33/06/1029913306.db2.gz JSHGTMQXJNIOQP-UHFFFAOYSA-N 1 2 334.345 3.746 20 30 EHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000178940780 1030317223 /nfs/dbraw/zinc/31/72/23/1030317223.db2.gz XVEVGWIEPOQISD-CMDGGOBGSA-N 1 2 327.181 3.993 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1ccccc1F ZINC000060479839 1030569028 /nfs/dbraw/zinc/56/90/28/1030569028.db2.gz QBKZSAULKZLDDU-UHFFFAOYSA-N 1 2 326.415 3.716 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1ccccc1F ZINC000060479839 1030569031 /nfs/dbraw/zinc/56/90/31/1030569031.db2.gz QBKZSAULKZLDDU-UHFFFAOYSA-N 1 2 326.415 3.716 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c(Cl)c1 ZINC000527128467 1030654909 /nfs/dbraw/zinc/65/49/09/1030654909.db2.gz JMJGKVRRFAIOPD-ZDUSSCGKSA-N 1 2 332.753 3.755 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(Cl)c1 ZINC000527128467 1030654916 /nfs/dbraw/zinc/65/49/16/1030654916.db2.gz JMJGKVRRFAIOPD-ZDUSSCGKSA-N 1 2 332.753 3.755 20 30 EHEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000482894953 1030793865 /nfs/dbraw/zinc/79/38/65/1030793865.db2.gz VXNBOWSZUQBUEL-GOSISDBHSA-N 1 2 343.446 3.695 20 30 EHEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000482894953 1030793871 /nfs/dbraw/zinc/79/38/71/1030793871.db2.gz VXNBOWSZUQBUEL-GOSISDBHSA-N 1 2 343.446 3.695 20 30 EHEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638455 1030989305 /nfs/dbraw/zinc/98/93/05/1030989305.db2.gz FYEFYAWZENLKOQ-ROUUACIJSA-N 1 2 347.245 3.955 20 30 EHEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638455 1030989316 /nfs/dbraw/zinc/98/93/16/1030989316.db2.gz FYEFYAWZENLKOQ-ROUUACIJSA-N 1 2 347.245 3.955 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760538246 1031109698 /nfs/dbraw/zinc/10/96/98/1031109698.db2.gz XYFKUPUNGSNCPQ-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760538246 1031109707 /nfs/dbraw/zinc/10/97/07/1031109707.db2.gz XYFKUPUNGSNCPQ-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO N#CC1(c2cc[nH+]c(NCc3cccc4c3OC(F)(F)O4)c2)CC1 ZINC001168355455 1031240292 /nfs/dbraw/zinc/24/02/92/1031240292.db2.gz LNYXIEKZYZTKNT-UHFFFAOYSA-N 1 2 329.306 3.570 20 30 EHEDLO C=CC[N@@H+](Cc1cn(C(C)C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000343534746 1031297015 /nfs/dbraw/zinc/29/70/15/1031297015.db2.gz NVWPBYZCBRCXJA-UHFFFAOYSA-N 1 2 328.416 3.869 20 30 EHEDLO C=CC[N@H+](Cc1cn(C(C)C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000343534746 1031297029 /nfs/dbraw/zinc/29/70/29/1031297029.db2.gz NVWPBYZCBRCXJA-UHFFFAOYSA-N 1 2 328.416 3.869 20 30 EHEDLO C[NH+](C)c1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278564633 1031394222 /nfs/dbraw/zinc/39/42/22/1031394222.db2.gz CVLNBNFUKVPFGR-UHFFFAOYSA-N 1 2 346.438 3.537 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000595441044 1033803514 /nfs/dbraw/zinc/80/35/14/1033803514.db2.gz UEWCIPNEASLBAF-IBGZPJMESA-N 1 2 344.817 3.967 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000595441044 1033803524 /nfs/dbraw/zinc/80/35/24/1033803524.db2.gz UEWCIPNEASLBAF-IBGZPJMESA-N 1 2 344.817 3.967 20 30 EHEDLO C[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c2ccccc2S1 ZINC000595618780 1033903066 /nfs/dbraw/zinc/90/30/66/1033903066.db2.gz RIFIUBJBJVBQNZ-HZPDHXFCSA-N 1 2 343.496 3.530 20 30 EHEDLO C[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc2S1 ZINC000595618780 1033903073 /nfs/dbraw/zinc/90/30/73/1033903073.db2.gz RIFIUBJBJVBQNZ-HZPDHXFCSA-N 1 2 343.496 3.530 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595615783 1033927867 /nfs/dbraw/zinc/92/78/67/1033927867.db2.gz SXNMRTUSHYXEKL-QKVFXAPYSA-N 1 2 345.295 3.727 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595615783 1033927883 /nfs/dbraw/zinc/92/78/83/1033927883.db2.gz SXNMRTUSHYXEKL-QKVFXAPYSA-N 1 2 345.295 3.727 20 30 EHEDLO N#Cc1nc(N2CCC(CCCn3cc[nH+]c3)CC2)sc1Cl ZINC000596189979 1034104821 /nfs/dbraw/zinc/10/48/21/1034104821.db2.gz NIVAFUHSDSYYLH-UHFFFAOYSA-N 1 2 335.864 3.561 20 30 EHEDLO N#Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000593177195 1034239288 /nfs/dbraw/zinc/23/92/88/1034239288.db2.gz QCCDLWSJIGQBOA-UHFFFAOYSA-N 1 2 341.842 3.656 20 30 EHEDLO C[C@H](C#N)C[NH2+]Cc1cc(Br)c(Br)s1 ZINC000227827609 1034288579 /nfs/dbraw/zinc/28/85/79/1034288579.db2.gz IXIHQQPPJRJRON-ZCFIWIBFSA-N 1 2 338.068 3.522 20 30 EHEDLO CC[C@H](C)CCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000612265303 1034676683 /nfs/dbraw/zinc/67/66/83/1034676683.db2.gz NGRZZPJGEGRLEI-SFHVURJKSA-N 1 2 341.499 3.809 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C2CC2)cc1Cl ZINC000044898099 1035510018 /nfs/dbraw/zinc/51/00/18/1035510018.db2.gz GLZYKBWEXWIRGQ-UHFFFAOYSA-N 1 2 345.855 3.876 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)cc1Cl ZINC000044898099 1035510022 /nfs/dbraw/zinc/51/00/22/1035510022.db2.gz GLZYKBWEXWIRGQ-UHFFFAOYSA-N 1 2 345.855 3.876 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997248 1035649460 /nfs/dbraw/zinc/64/94/60/1035649460.db2.gz YANIBVMKZIODBU-OAHLLOKOSA-N 1 2 349.409 3.814 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997248 1035649472 /nfs/dbraw/zinc/64/94/72/1035649472.db2.gz YANIBVMKZIODBU-OAHLLOKOSA-N 1 2 349.409 3.814 20 30 EHEDLO C=CC[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000186613517 1035673915 /nfs/dbraw/zinc/67/39/15/1035673915.db2.gz HXTVERYUMFXYDV-HKUYNNGSSA-N 1 2 337.467 3.561 20 30 EHEDLO C=CCNC(=O)c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC000174288506 1035935061 /nfs/dbraw/zinc/93/50/61/1035935061.db2.gz KERANXIFBIEMPF-UHFFFAOYSA-N 1 2 346.434 3.709 20 30 EHEDLO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(CC#N)cc1 ZINC000541281913 1036145740 /nfs/dbraw/zinc/14/57/40/1036145740.db2.gz IZLYQGAEPRZIJI-HXUWFJFHSA-N 1 2 336.435 3.879 20 30 EHEDLO CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(CC#N)cc1 ZINC000541281913 1036145754 /nfs/dbraw/zinc/14/57/54/1036145754.db2.gz IZLYQGAEPRZIJI-HXUWFJFHSA-N 1 2 336.435 3.879 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2csc(Br)c2)C2CC2)nc1 ZINC000572777796 1036496760 /nfs/dbraw/zinc/49/67/60/1036496760.db2.gz ISINBNMXAWFADF-UHFFFAOYSA-N 1 2 348.269 3.942 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2csc(Br)c2)C2CC2)nc1 ZINC000572777796 1036496766 /nfs/dbraw/zinc/49/67/66/1036496766.db2.gz ISINBNMXAWFADF-UHFFFAOYSA-N 1 2 348.269 3.942 20 30 EHEDLO C=CCC1(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000457794392 1036504925 /nfs/dbraw/zinc/50/49/25/1036504925.db2.gz UDKXZOLQOWDTLJ-UHFFFAOYSA-N 1 2 342.487 3.629 20 30 EHEDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(C#N)c1 ZINC000089883018 1036855366 /nfs/dbraw/zinc/85/53/66/1036855366.db2.gz UKKSVNVYQSNTLV-UHFFFAOYSA-N 1 2 348.362 3.753 20 30 EHEDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(C#N)c1 ZINC000089883018 1036855392 /nfs/dbraw/zinc/85/53/92/1036855392.db2.gz UKKSVNVYQSNTLV-UHFFFAOYSA-N 1 2 348.362 3.753 20 30 EHEDLO C[C@@H](CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000572964788 1036910256 /nfs/dbraw/zinc/91/02/56/1036910256.db2.gz ZBYDPGSTNOSRPT-GWCFXTLKSA-N 1 2 337.210 3.522 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nnc(C)c(C)c1C#N ZINC000191558137 1037266251 /nfs/dbraw/zinc/26/62/51/1037266251.db2.gz CESOWKXSKGCEGC-UHFFFAOYSA-N 1 2 335.436 3.752 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000104716149 1037358000 /nfs/dbraw/zinc/35/80/00/1037358000.db2.gz XCWLJYMMNMLCIP-UHFFFAOYSA-N 1 2 335.382 3.612 20 30 EHEDLO Cc1sc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2F)c(C#N)c1C ZINC000271817036 1037358981 /nfs/dbraw/zinc/35/89/81/1037358981.db2.gz VDIVGPUVHOQKHX-SNVBAGLBSA-N 1 2 349.406 3.804 20 30 EHEDLO CC(C)C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000532499786 1037545350 /nfs/dbraw/zinc/54/53/50/1037545350.db2.gz SZEALLMZCDMNKH-UHFFFAOYSA-N 1 2 345.443 3.856 20 30 EHEDLO CC(C)C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000532499786 1037545358 /nfs/dbraw/zinc/54/53/58/1037545358.db2.gz SZEALLMZCDMNKH-UHFFFAOYSA-N 1 2 345.443 3.856 20 30 EHEDLO COc1cc(Br)ccc1[C@H](C)[NH2+]Cc1ccncc1C#N ZINC000592114544 1037832463 /nfs/dbraw/zinc/83/24/63/1037832463.db2.gz XNXLQNZFXICUDW-NSHDSACASA-N 1 2 346.228 3.575 20 30 EHEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000538724105 1038490035 /nfs/dbraw/zinc/49/00/35/1038490035.db2.gz RTFLYDAAJQVDKV-WMLDXEAASA-N 1 2 332.469 3.564 20 30 EHEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000538724105 1038490036 /nfs/dbraw/zinc/49/00/36/1038490036.db2.gz RTFLYDAAJQVDKV-WMLDXEAASA-N 1 2 332.469 3.564 20 30 EHEDLO C=CCC1(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC1 ZINC000663813966 1038885132 /nfs/dbraw/zinc/88/51/32/1038885132.db2.gz NBWJCHASYLYTBY-UHFFFAOYSA-N 1 2 342.418 3.700 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2Cc3ccccc3C2)c1 ZINC000155499737 1038962152 /nfs/dbraw/zinc/96/21/52/1038962152.db2.gz DRAZTBFVOVYXAO-SFHVURJKSA-N 1 2 347.462 3.954 20 30 EHEDLO N#CCCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000554283219 1039156833 /nfs/dbraw/zinc/15/68/33/1039156833.db2.gz MKDZHMLRXCTVGF-UHFFFAOYSA-N 1 2 348.381 3.631 20 30 EHEDLO CCCn1c2ccccc2[nH+]c1NCc1c(F)cc(C#N)cc1F ZINC000485952981 1039733953 /nfs/dbraw/zinc/73/39/53/1039733953.db2.gz KTDNTTUGYMMLCE-UHFFFAOYSA-N 1 2 326.350 3.630 20 30 EHEDLO C=CCCC1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000660317847 1040356199 /nfs/dbraw/zinc/35/61/99/1040356199.db2.gz SOHIEMVLUIADEC-UHFFFAOYSA-N 1 2 344.503 3.588 20 30 EHEDLO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1nnc2ccccn21 ZINC000512672064 1040481617 /nfs/dbraw/zinc/48/16/17/1040481617.db2.gz IMOBKEJUXFDHMX-GUYCJALGSA-N 1 2 337.402 3.932 20 30 EHEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCCC1 ZINC000600071093 1040589610 /nfs/dbraw/zinc/58/96/10/1040589610.db2.gz WUDGTYCDVBTAGO-KRWDZBQOSA-N 1 2 345.874 3.505 20 30 EHEDLO N#CC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCCC1 ZINC000600071093 1040589625 /nfs/dbraw/zinc/58/96/25/1040589625.db2.gz WUDGTYCDVBTAGO-KRWDZBQOSA-N 1 2 345.874 3.505 20 30 EHEDLO C[N@H+](Cc1ccc(OCc2ccccc2F)nc1)CC(C)(C)C#N ZINC000433315013 1041259899 /nfs/dbraw/zinc/25/98/99/1041259899.db2.gz ARRQORNUCWZTMU-UHFFFAOYSA-N 1 2 327.403 3.781 20 30 EHEDLO C[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)CC(C)(C)C#N ZINC000433315013 1041259917 /nfs/dbraw/zinc/25/99/17/1041259917.db2.gz ARRQORNUCWZTMU-UHFFFAOYSA-N 1 2 327.403 3.781 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000571408213 1041288515 /nfs/dbraw/zinc/28/85/15/1041288515.db2.gz TWAOSICANNXLLY-UHFFFAOYSA-N 1 2 349.390 3.561 20 30 EHEDLO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cscn1 ZINC000661421355 1042112801 /nfs/dbraw/zinc/11/28/01/1042112801.db2.gz UOBOQUWDGXFVBA-NSHDSACASA-N 1 2 326.343 3.744 20 30 EHEDLO N#Cc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)s1 ZINC000182144083 1044430399 /nfs/dbraw/zinc/43/03/99/1044430399.db2.gz CAROAXKUCQIZSX-UHFFFAOYSA-N 1 2 348.475 3.617 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083128691 1127210958 /nfs/dbraw/zinc/21/09/58/1127210958.db2.gz YXJBFYXXEVFDHP-UHFFFAOYSA-N 1 2 329.381 3.986 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083128691 1127210960 /nfs/dbraw/zinc/21/09/60/1127210960.db2.gz YXJBFYXXEVFDHP-UHFFFAOYSA-N 1 2 329.381 3.986 20 30 EHEDLO CCOc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1Br ZINC001238697367 1127452644 /nfs/dbraw/zinc/45/26/44/1127452644.db2.gz XGVWNMDDNNQHPL-UHFFFAOYSA-N 1 2 337.261 3.973 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212362863 1128004986 /nfs/dbraw/zinc/00/49/86/1128004986.db2.gz SKHACZSAFSNVGL-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO N#Cc1cnc2ccccc2c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301377057 1128588652 /nfs/dbraw/zinc/58/86/52/1128588652.db2.gz RUIBXOFVQNJUEZ-UHFFFAOYSA-N 1 2 325.375 3.904 20 30 EHEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3ccc(F)c(F)c3)n2c1 ZINC000360072952 1128675727 /nfs/dbraw/zinc/67/57/27/1128675727.db2.gz DPFRUOSWVGCGKB-SFHVURJKSA-N 1 2 338.361 3.821 20 30 EHEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3c3ccc(F)c(F)c3)n2c1 ZINC000360072952 1128675731 /nfs/dbraw/zinc/67/57/31/1128675731.db2.gz DPFRUOSWVGCGKB-SFHVURJKSA-N 1 2 338.361 3.821 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000252799259 1128860055 /nfs/dbraw/zinc/86/00/55/1128860055.db2.gz AIOZFXRHCFQYTB-XOBRGWDASA-N 1 2 340.398 3.668 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000252799259 1128860062 /nfs/dbraw/zinc/86/00/62/1128860062.db2.gz AIOZFXRHCFQYTB-XOBRGWDASA-N 1 2 340.398 3.668 20 30 EHEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cccc(C#N)c1 ZINC000026323275 1121652202 /nfs/dbraw/zinc/65/22/02/1121652202.db2.gz VSMFKMCPJQVNHK-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cccc(C#N)c1 ZINC000026323275 1121652205 /nfs/dbraw/zinc/65/22/05/1121652205.db2.gz VSMFKMCPJQVNHK-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(Br)c1 ZINC000272570296 1121718260 /nfs/dbraw/zinc/71/82/60/1121718260.db2.gz QPLGPWUIEAQSBL-MRXNPFEDSA-N 1 2 330.229 3.986 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(Br)c1 ZINC000272570296 1121718267 /nfs/dbraw/zinc/71/82/67/1121718267.db2.gz QPLGPWUIEAQSBL-MRXNPFEDSA-N 1 2 330.229 3.986 20 30 EHEDLO CC(=NNC(=S)Nc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915923450 1121985527 /nfs/dbraw/zinc/98/55/27/1121985527.db2.gz CHDRENWBXKXGML-UHFFFAOYSA-N 1 2 335.436 3.583 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1c2cc(C)ccc2oc1=O ZINC000917616732 1122650245 /nfs/dbraw/zinc/65/02/45/1122650245.db2.gz RCAMBYDDWPOPOV-UHFFFAOYSA-N 1 2 338.407 3.557 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1c2cc(C)ccc2oc1=O ZINC000917616732 1122650248 /nfs/dbraw/zinc/65/02/48/1122650248.db2.gz RCAMBYDDWPOPOV-UHFFFAOYSA-N 1 2 338.407 3.557 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1OC ZINC000556967522 1123243212 /nfs/dbraw/zinc/24/32/12/1123243212.db2.gz NOQNRKMTKWXSIT-RTWAWAEBSA-N 1 2 343.467 3.794 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1OC ZINC000556967522 1123243214 /nfs/dbraw/zinc/24/32/14/1123243214.db2.gz NOQNRKMTKWXSIT-RTWAWAEBSA-N 1 2 343.467 3.794 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619067470 1125271210 /nfs/dbraw/zinc/27/12/10/1125271210.db2.gz QPNCQFBMEBPMGG-OAQYLSRUSA-N 1 2 330.435 3.550 20 30 EHEDLO Cc1cc(Br)cn2c(CN(CC#N)C3CCCC3)c[nH+]c12 ZINC000543394992 1129458381 /nfs/dbraw/zinc/45/83/81/1129458381.db2.gz RITKMUVDLSZNIG-UHFFFAOYSA-N 1 2 347.260 3.673 20 30 EHEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cn1 ZINC000428986897 1129668398 /nfs/dbraw/zinc/66/83/98/1129668398.db2.gz QTEHSQCALJZMND-JTQLQIEISA-N 1 2 334.192 3.706 20 30 EHEDLO C[C@@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(OCC#N)cc1 ZINC000186819494 1129847162 /nfs/dbraw/zinc/84/71/62/1129847162.db2.gz XVGJPJYYONKYDF-CQSZACIVSA-N 1 2 343.427 3.743 20 30 EHEDLO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000625701795 1129986666 /nfs/dbraw/zinc/98/66/66/1129986666.db2.gz SKGCGEPYDPAOOM-ZDUSSCGKSA-N 1 2 337.261 3.594 20 30 EHEDLO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000625701795 1129986667 /nfs/dbraw/zinc/98/66/67/1129986667.db2.gz SKGCGEPYDPAOOM-ZDUSSCGKSA-N 1 2 337.261 3.594 20 30 EHEDLO C#Cc1ccc([C@@H](OC(=O)[C@H]2CCC[N@H+]2C(C)C)C(F)(F)F)cc1 ZINC001128968210 1130294301 /nfs/dbraw/zinc/29/43/01/1130294301.db2.gz HCBMHTFQIJDIBS-HZPDHXFCSA-N 1 2 339.357 3.687 20 30 EHEDLO C#Cc1ccc([C@@H](OC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(F)(F)F)cc1 ZINC001128968210 1130294304 /nfs/dbraw/zinc/29/43/04/1130294304.db2.gz HCBMHTFQIJDIBS-HZPDHXFCSA-N 1 2 339.357 3.687 20 30 EHEDLO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000731213077 1130777801 /nfs/dbraw/zinc/77/78/01/1130777801.db2.gz HDMHPPACZIVMRT-MJBXVCDLSA-N 1 2 327.453 3.735 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000731488822 1130802678 /nfs/dbraw/zinc/80/26/78/1130802678.db2.gz RAMKKUIOIBBYGP-BDBXIWDTSA-N 1 2 345.443 3.764 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000731488822 1130802681 /nfs/dbraw/zinc/80/26/81/1130802681.db2.gz RAMKKUIOIBBYGP-BDBXIWDTSA-N 1 2 345.443 3.764 20 30 EHEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@H]1C ZINC000741790734 1131648368 /nfs/dbraw/zinc/64/83/68/1131648368.db2.gz LBQGNKZJGTZCRQ-HZSPNIEDSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@H]1C ZINC000741790734 1131648371 /nfs/dbraw/zinc/64/83/71/1131648371.db2.gz LBQGNKZJGTZCRQ-HZSPNIEDSA-N 1 2 327.453 3.593 20 30 EHEDLO CCCCCCCC[C@H](CC)[NH2+][C@@H](Cc1cncn1C)C(=O)OC ZINC001172501933 1131761379 /nfs/dbraw/zinc/76/13/79/1131761379.db2.gz FVWOKJICSVTLQW-WMZOPIPTSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCCC[C@H](CC)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172501933 1131761384 /nfs/dbraw/zinc/76/13/84/1131761384.db2.gz FVWOKJICSVTLQW-WMZOPIPTSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCCC[C@@H](CCC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001173310297 1132035872 /nfs/dbraw/zinc/03/58/72/1132035872.db2.gz SBCRYHFQULXIHN-SJORKVTESA-N 1 2 343.508 3.990 20 30 EHEDLO COc1cc(C#N)c(F)cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523526 1132400363 /nfs/dbraw/zinc/40/03/63/1132400363.db2.gz MSCRMZXQGQHPIN-UHFFFAOYSA-N 1 2 326.375 3.835 20 30 EHEDLO N#CC1(c2ccc(Nc3ccc(N4CCOCC4)[nH+]c3)cc2)CCCC1 ZINC001174976839 1132510977 /nfs/dbraw/zinc/51/09/77/1132510977.db2.gz DLDZYNPKNVGCHM-UHFFFAOYSA-N 1 2 348.450 3.997 20 30 EHEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC001168874188 1132594179 /nfs/dbraw/zinc/59/41/79/1132594179.db2.gz SPXSGJHHJBMLBH-MRXNPFEDSA-N 1 2 331.847 3.752 20 30 EHEDLO C[Si](C)(C)C#Cc1ccc(NCCc2cn3ccccc3[nH+]2)nc1 ZINC001169000032 1132627578 /nfs/dbraw/zinc/62/75/78/1132627578.db2.gz APAWKHHOXGMQLZ-UHFFFAOYSA-N 1 2 334.499 3.613 20 30 EHEDLO COc1ccc(C(N)=[NH+]OCc2nc(-c3ccccc3)cs2)cc1 ZINC000766689887 1132752161 /nfs/dbraw/zinc/75/21/61/1132752161.db2.gz HOKWCWVFQXCDPW-UHFFFAOYSA-N 1 2 339.420 3.656 20 30 EHEDLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001169747645 1132838129 /nfs/dbraw/zinc/83/81/29/1132838129.db2.gz APSCTTLQBSQEPD-UHFFFAOYSA-N 1 2 341.455 3.994 20 30 EHEDLO C=C(Br)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176234607 1132883329 /nfs/dbraw/zinc/88/33/29/1132883329.db2.gz FECXEIMDYAMUIS-LLVKDONJSA-N 1 2 327.291 3.720 20 30 EHEDLO C=C(Br)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176234607 1132883335 /nfs/dbraw/zinc/88/33/35/1132883335.db2.gz FECXEIMDYAMUIS-LLVKDONJSA-N 1 2 327.291 3.720 20 30 EHEDLO COc1nc(N(C)C)sc1C=[NH+]Nc1cccc(C(F)(F)F)c1 ZINC000767031392 1132936510 /nfs/dbraw/zinc/93/65/10/1132936510.db2.gz XGELROZRWVXACL-UHFFFAOYSA-N 1 2 344.362 3.683 20 30 EHEDLO N#C[C@H](COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000768803080 1133178625 /nfs/dbraw/zinc/17/86/25/1133178625.db2.gz AYZRTHJWIILPBK-NHCUHLMSSA-N 1 2 348.446 3.577 20 30 EHEDLO N#C[C@H](COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000768803080 1133178630 /nfs/dbraw/zinc/17/86/30/1133178630.db2.gz AYZRTHJWIILPBK-NHCUHLMSSA-N 1 2 348.446 3.577 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)C2(c3ccc(C)cc3)CCCCC2)CC1 ZINC001181870959 1133544010 /nfs/dbraw/zinc/54/40/10/1133544010.db2.gz FEINIXGMQHIHFP-UHFFFAOYSA-N 1 2 326.484 3.527 20 30 EHEDLO NC(=[NH+]OCc1ccc(Cl)nc1C(F)(F)F)c1ccc(F)cc1 ZINC000786739239 1133892454 /nfs/dbraw/zinc/89/24/54/1133892454.db2.gz QUJLGSPRPLXRAD-UHFFFAOYSA-N 1 2 347.699 3.730 20 30 EHEDLO COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1c[nH+]c2ccccn12 ZINC000787180550 1133968359 /nfs/dbraw/zinc/96/83/59/1133968359.db2.gz VDPLHTAIPVWICJ-VURMDHGXSA-N 1 2 340.766 3.670 20 30 EHEDLO Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)c(C#N)cc1[N+](=O)[O-] ZINC001184821835 1133994531 /nfs/dbraw/zinc/99/45/31/1133994531.db2.gz YEGOCJCLVKTASD-UHFFFAOYSA-N 1 2 347.378 3.632 20 30 EHEDLO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000789449606 1134276341 /nfs/dbraw/zinc/27/63/41/1134276341.db2.gz IAIANINAKPHHBJ-BARDWOONSA-N 1 2 341.480 3.839 20 30 EHEDLO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000789449606 1134276347 /nfs/dbraw/zinc/27/63/47/1134276347.db2.gz IAIANINAKPHHBJ-BARDWOONSA-N 1 2 341.480 3.839 20 30 EHEDLO N#Cc1cccc(Br)c1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001187716755 1134373659 /nfs/dbraw/zinc/37/36/59/1134373659.db2.gz NCIHPXUMXCBSML-UHFFFAOYSA-N 1 2 331.217 3.535 20 30 EHEDLO C#CCCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000791276506 1134525194 /nfs/dbraw/zinc/52/51/94/1134525194.db2.gz YYTRXFDNJYKKCO-MRXNPFEDSA-N 1 2 327.472 3.625 20 30 EHEDLO C#CCCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000791276506 1134525198 /nfs/dbraw/zinc/52/51/98/1134525198.db2.gz YYTRXFDNJYKKCO-MRXNPFEDSA-N 1 2 327.472 3.625 20 30 EHEDLO C=C(C)c1cccc(C(C)(C)NC(=O)NCCOc2cc[nH+]cc2)c1 ZINC001189285291 1134561036 /nfs/dbraw/zinc/56/10/36/1134561036.db2.gz PXZWBKKRDTZBSO-UHFFFAOYSA-N 1 2 339.439 3.728 20 30 EHEDLO C#CC[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccccc1 ZINC000775401294 1134729216 /nfs/dbraw/zinc/72/92/16/1134729216.db2.gz RLRMFFZQOYMDRN-LJQANCHMSA-N 1 2 336.826 3.775 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1nc(-c2ccccc2)no1 ZINC000792636286 1134760538 /nfs/dbraw/zinc/76/05/38/1134760538.db2.gz WLWADGKMWIQISL-UHFFFAOYSA-N 1 2 333.395 3.540 20 30 EHEDLO CCCCCCCNC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001191100821 1134792177 /nfs/dbraw/zinc/79/21/77/1134792177.db2.gz CJRUVQKCIPLYHT-UHFFFAOYSA-N 1 2 328.460 3.984 20 30 EHEDLO CC(C)(C#N)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000793240873 1134885934 /nfs/dbraw/zinc/88/59/34/1134885934.db2.gz TVFZTFGXTNWEAL-UHFFFAOYSA-N 1 2 344.418 3.603 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCc3cc(C)cc(C)c3C2)c1C#N ZINC001198850939 1135860614 /nfs/dbraw/zinc/86/06/14/1135860614.db2.gz FPUFLHBXFUIIQF-UHFFFAOYSA-N 1 2 334.419 3.520 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCc3cc(C)cc(C)c3C2)c1C#N ZINC001198850939 1135860617 /nfs/dbraw/zinc/86/06/17/1135860617.db2.gz FPUFLHBXFUIIQF-UHFFFAOYSA-N 1 2 334.419 3.520 20 30 EHEDLO CCCCCCCCCCS(=O)(=O)N(CC)CCn1cc[nH+]c1 ZINC001201836058 1136068885 /nfs/dbraw/zinc/06/88/85/1136068885.db2.gz OSXXQXFCCPYIJJ-UHFFFAOYSA-N 1 2 343.537 3.676 20 30 EHEDLO COc1ccccc1CC(=[NH+]n1cc(Br)cn1)C(C)C ZINC000752745287 1136081619 /nfs/dbraw/zinc/08/16/19/1136081619.db2.gz AADJUNSVEOVXAU-UHFFFAOYSA-N 1 2 336.233 3.757 20 30 EHEDLO N#Cc1csc(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)n1 ZINC000811456389 1136089252 /nfs/dbraw/zinc/08/92/52/1136089252.db2.gz NNWFZLGKLIXMHU-AWEZNQCLSA-N 1 2 333.844 3.712 20 30 EHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)n1 ZINC000811456389 1136089256 /nfs/dbraw/zinc/08/92/56/1136089256.db2.gz NNWFZLGKLIXMHU-AWEZNQCLSA-N 1 2 333.844 3.712 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cc2c(cc1OC)OCO2)c1ccc(Cl)cc1 ZINC000811516892 1136097318 /nfs/dbraw/zinc/09/73/18/1136097318.db2.gz XILVZGIWASNNLS-HNNXBMFYSA-N 1 2 329.783 3.541 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(Br)nc3)n21 ZINC000811695671 1136125842 /nfs/dbraw/zinc/12/58/42/1136125842.db2.gz CARUXEVLOMGGHC-SREVYHEPSA-N 1 2 342.196 3.696 20 30 EHEDLO COc1ccc(C(N)=[NH+]OCc2csc(CCC(C)C)n2)cc1 ZINC000747828735 1136275267 /nfs/dbraw/zinc/27/52/67/1136275267.db2.gz PIGAVWTVZRCUKC-UHFFFAOYSA-N 1 2 333.457 3.577 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000852328306 1136448813 /nfs/dbraw/zinc/44/88/13/1136448813.db2.gz BQKJWUDZUALCFA-IBGZPJMESA-N 1 2 325.843 3.835 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000852328306 1136448815 /nfs/dbraw/zinc/44/88/15/1136448815.db2.gz BQKJWUDZUALCFA-IBGZPJMESA-N 1 2 325.843 3.835 20 30 EHEDLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852328971 1136449417 /nfs/dbraw/zinc/44/94/17/1136449417.db2.gz QTHUALSCDLZTPB-OAQYLSRUSA-N 1 2 335.451 3.926 20 30 EHEDLO CC(C)Oc1ccc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852328971 1136449419 /nfs/dbraw/zinc/44/94/19/1136449419.db2.gz QTHUALSCDLZTPB-OAQYLSRUSA-N 1 2 335.451 3.926 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000852333249 1136449847 /nfs/dbraw/zinc/44/98/47/1136449847.db2.gz ILJNJZRTZSSLBQ-NRFANRHFSA-N 1 2 328.419 3.687 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000852333249 1136449851 /nfs/dbraw/zinc/44/98/51/1136449851.db2.gz ILJNJZRTZSSLBQ-NRFANRHFSA-N 1 2 328.419 3.687 20 30 EHEDLO CC(=[NH+]Nc1ccc(F)c(F)c1F)c1cccc(N2CCOCC2)c1 ZINC000814946867 1136530031 /nfs/dbraw/zinc/53/00/31/1136530031.db2.gz ZQPAXWDCTFJHEL-UHFFFAOYSA-N 1 2 349.356 3.777 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000853445715 1136533013 /nfs/dbraw/zinc/53/30/13/1136533013.db2.gz VLRXBZHUISQMFK-IEBWSBKVSA-N 1 2 338.451 3.840 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000853528695 1136541423 /nfs/dbraw/zinc/54/14/23/1136541423.db2.gz VJLGFQJXRLPKNA-KRWDZBQOSA-N 1 2 338.455 3.621 20 30 EHEDLO C=CCCCc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000854109226 1136588400 /nfs/dbraw/zinc/58/84/00/1136588400.db2.gz SDENNXQDIWEAPH-WBVHZDCISA-N 1 2 327.428 3.540 20 30 EHEDLO C=CCCCc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000854109226 1136588407 /nfs/dbraw/zinc/58/84/07/1136588407.db2.gz SDENNXQDIWEAPH-WBVHZDCISA-N 1 2 327.428 3.540 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000776794762 1136671385 /nfs/dbraw/zinc/67/13/85/1136671385.db2.gz IEANQTDNZAVGDV-FQEVSTJZSA-N 1 2 334.419 3.575 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000776794762 1136671388 /nfs/dbraw/zinc/67/13/88/1136671388.db2.gz IEANQTDNZAVGDV-FQEVSTJZSA-N 1 2 334.419 3.575 20 30 EHEDLO C=CCSc1ccccc1C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000776800753 1136683694 /nfs/dbraw/zinc/68/36/94/1136683694.db2.gz VCPBQXZZAGSTTH-UHFFFAOYSA-N 1 2 342.464 3.915 20 30 EHEDLO CCC[N@H+](CCS(=O)(=O)C1CCCCC1)Cc1ccc(C#N)cc1 ZINC000856722310 1136803001 /nfs/dbraw/zinc/80/30/01/1136803001.db2.gz MDDWHIWZPSDOSG-UHFFFAOYSA-N 1 2 348.512 3.518 20 30 EHEDLO CCC[N@@H+](CCS(=O)(=O)C1CCCCC1)Cc1ccc(C#N)cc1 ZINC000856722310 1136803005 /nfs/dbraw/zinc/80/30/05/1136803005.db2.gz MDDWHIWZPSDOSG-UHFFFAOYSA-N 1 2 348.512 3.518 20 30 EHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C)c2Cl)C1 ZINC001138030676 1136815942 /nfs/dbraw/zinc/81/59/42/1136815942.db2.gz NZKWHCFJYVDEPP-CYBMUJFWSA-N 1 2 340.826 3.664 20 30 EHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)ccc(C)c2Cl)C1 ZINC001138030676 1136815945 /nfs/dbraw/zinc/81/59/45/1136815945.db2.gz NZKWHCFJYVDEPP-CYBMUJFWSA-N 1 2 340.826 3.664 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)c1ccc(Cl)cc1 ZINC000820619606 1136998522 /nfs/dbraw/zinc/99/85/22/1136998522.db2.gz WOMKBVVGFTUTBF-INIZCTEOSA-N 1 2 330.815 3.673 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc4ccncc4s3)CCO2)c1 ZINC000824948973 1137159017 /nfs/dbraw/zinc/15/90/17/1137159017.db2.gz IPAVDDNLEXDUFT-SFHVURJKSA-N 1 2 335.432 3.741 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc4ccncc4s3)CCO2)c1 ZINC000824948973 1137159019 /nfs/dbraw/zinc/15/90/19/1137159019.db2.gz IPAVDDNLEXDUFT-SFHVURJKSA-N 1 2 335.432 3.741 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2\Cc3cc(F)c(Cl)cc3C2=O)s1 ZINC000863195031 1137173608 /nfs/dbraw/zinc/17/36/08/1137173608.db2.gz ZKZGBZGRBQCASK-BJMVGYQFSA-N 1 2 336.819 3.820 20 30 EHEDLO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143725156 1137194029 /nfs/dbraw/zinc/19/40/29/1137194029.db2.gz WXONTZPTJQAGIW-HNAYVOBHSA-N 1 2 348.874 3.619 20 30 EHEDLO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143725156 1137194031 /nfs/dbraw/zinc/19/40/31/1137194031.db2.gz WXONTZPTJQAGIW-HNAYVOBHSA-N 1 2 348.874 3.619 20 30 EHEDLO Cc1c(F)cc(F)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001143768115 1137196927 /nfs/dbraw/zinc/19/69/27/1137196927.db2.gz ZLZRQWYZUSROTP-UHFFFAOYSA-N 1 2 345.368 3.606 20 30 EHEDLO COc1cc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)ccc1SC ZINC000794705863 1137238085 /nfs/dbraw/zinc/23/80/85/1137238085.db2.gz BJXJVMZTBXPKKL-VURMDHGXSA-N 1 2 348.493 3.831 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)c1=S ZINC000844761225 1137250534 /nfs/dbraw/zinc/25/05/34/1137250534.db2.gz WMYKYHUZIOKEJO-CYBMUJFWSA-N 1 2 346.475 3.667 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)c1=S ZINC000844761225 1137250535 /nfs/dbraw/zinc/25/05/35/1137250535.db2.gz WMYKYHUZIOKEJO-CYBMUJFWSA-N 1 2 346.475 3.667 20 30 EHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)c(F)cc1O ZINC001144306764 1137270739 /nfs/dbraw/zinc/27/07/39/1137270739.db2.gz PFBQGBSQZDYFDN-WLLOZRIZSA-N 1 2 339.208 3.560 20 30 EHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)c(F)cc1O ZINC001144306764 1137270740 /nfs/dbraw/zinc/27/07/40/1137270740.db2.gz PFBQGBSQZDYFDN-WLLOZRIZSA-N 1 2 339.208 3.560 20 30 EHEDLO C=C(C)CC[C@H](C)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000845869364 1137315888 /nfs/dbraw/zinc/31/58/88/1137315888.db2.gz YABMPRSNMYJJHO-AWEZNQCLSA-N 1 2 336.501 3.952 20 30 EHEDLO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866215344 1137335803 /nfs/dbraw/zinc/33/58/03/1137335803.db2.gz JKBTZBZIOGEKRL-CQSZACIVSA-N 1 2 334.423 3.663 20 30 EHEDLO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866221905 1137336105 /nfs/dbraw/zinc/33/61/05/1137336105.db2.gz UXZRAHQRDSWMJF-OXJNMPFZSA-N 1 2 335.451 3.752 20 30 EHEDLO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)ccc1OC(C)C ZINC000866229422 1137337032 /nfs/dbraw/zinc/33/70/32/1137337032.db2.gz SQZABOYDQQINCM-AWEZNQCLSA-N 1 2 340.423 3.910 20 30 EHEDLO CC(C)COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccco1 ZINC000866252823 1137339731 /nfs/dbraw/zinc/33/97/31/1137339731.db2.gz QXJCUVVAMNWRIW-PBHICJAKSA-N 1 2 328.412 3.921 20 30 EHEDLO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866263043 1137340438 /nfs/dbraw/zinc/34/04/38/1137340438.db2.gz LEMROTCOBFEAAE-UONOGXRCSA-N 1 2 340.423 3.563 20 30 EHEDLO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866287759 1137342844 /nfs/dbraw/zinc/34/28/44/1137342844.db2.gz QTBVKOBZIVNPOV-SNUQEOBHSA-N 1 2 328.387 3.566 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001171228141 1137354011 /nfs/dbraw/zinc/35/40/11/1137354011.db2.gz FAXWHIJXYDCUDF-KRWDZBQOSA-N 1 2 342.446 3.869 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001171228141 1137354012 /nfs/dbraw/zinc/35/40/12/1137354012.db2.gz FAXWHIJXYDCUDF-KRWDZBQOSA-N 1 2 342.446 3.869 20 30 EHEDLO C=CCCC(C)(C)CNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923604365 1137385250 /nfs/dbraw/zinc/38/52/50/1137385250.db2.gz GCVYWPRXRIGAIG-UHFFFAOYSA-N 1 2 330.476 3.660 20 30 EHEDLO C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172313252 1137546281 /nfs/dbraw/zinc/54/62/81/1137546281.db2.gz SPAHRGXMAFALMY-QFBILLFUSA-N 1 2 347.453 3.685 20 30 EHEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000876643726 1137658031 /nfs/dbraw/zinc/65/80/31/1137658031.db2.gz LKBNMGSGNAQTRN-CZUORRHYSA-N 1 2 337.261 3.762 20 30 EHEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccccc2Br)C1 ZINC000876643726 1137658032 /nfs/dbraw/zinc/65/80/32/1137658032.db2.gz LKBNMGSGNAQTRN-CZUORRHYSA-N 1 2 337.261 3.762 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000877400368 1137675420 /nfs/dbraw/zinc/67/54/20/1137675420.db2.gz UGMCMXJNVLDUTM-GFCCVEGCSA-N 1 2 333.769 3.874 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000877400368 1137675421 /nfs/dbraw/zinc/67/54/21/1137675421.db2.gz UGMCMXJNVLDUTM-GFCCVEGCSA-N 1 2 333.769 3.874 20 30 EHEDLO C=CCC(C)(C)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883709646 1137867741 /nfs/dbraw/zinc/86/77/41/1137867741.db2.gz NRINZTJGVDOUME-QGZVFWFLSA-N 1 2 326.444 3.526 20 30 EHEDLO C[C@H](C#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000005280992 1137884852 /nfs/dbraw/zinc/88/48/52/1137884852.db2.gz UYEVVLNVJKFVQA-GFCCVEGCSA-N 1 2 347.875 3.521 20 30 EHEDLO C[C@@H](c1ccccn1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348319449 1137949343 /nfs/dbraw/zinc/94/93/43/1137949343.db2.gz MJROSXAZXSXXCP-KXBFYZLASA-N 1 2 340.858 3.678 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000189907501 1140371157 /nfs/dbraw/zinc/37/11/57/1140371157.db2.gz LXULMEYLYCLDLB-OAHLLOKOSA-N 1 2 332.513 3.914 20 30 EHEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCc1cccs1 ZINC000271115861 1141309661 /nfs/dbraw/zinc/30/96/61/1141309661.db2.gz FFXCKDPEJBVRHT-CQSZACIVSA-N 1 2 330.453 3.927 20 30 EHEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCc1cccs1 ZINC000271115861 1141309665 /nfs/dbraw/zinc/30/96/65/1141309665.db2.gz FFXCKDPEJBVRHT-CQSZACIVSA-N 1 2 330.453 3.927 20 30 EHEDLO CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1(C)C ZINC000328624008 564137004 /nfs/dbraw/zinc/13/70/04/564137004.db2.gz JPAPRZFLFJXPIX-TXCZRRACSA-N 1 2 331.460 3.835 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000343727100 1032088016 /nfs/dbraw/zinc/08/80/16/1032088016.db2.gz FMXPZMQCKZALKL-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000343727100 1032088028 /nfs/dbraw/zinc/08/80/28/1032088028.db2.gz FMXPZMQCKZALKL-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO C=CCC[C@H](NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000339550053 1014819412 /nfs/dbraw/zinc/81/94/12/1014819412.db2.gz XTIHPQJQQZHNNV-MSOLQXFVSA-N 1 2 338.455 3.627 20 30 EHEDLO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000924597315 1017074198 /nfs/dbraw/zinc/07/41/98/1017074198.db2.gz IDPRWIBQYFUAAQ-IRXDYDNUSA-N 1 2 330.815 3.692 20 30 EHEDLO C=CCC(CC=C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000537171180 1032546445 /nfs/dbraw/zinc/54/64/45/1032546445.db2.gz SLNKWGWRAIYQPU-INIZCTEOSA-N 1 2 330.447 3.799 20 30 EHEDLO CC(C)C[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)n1cc[nH+]c1 ZINC000602175797 1032690842 /nfs/dbraw/zinc/69/08/42/1032690842.db2.gz WSFKXBQBMQZPMB-SFHVURJKSA-N 1 2 336.439 3.538 20 30 EHEDLO COc1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1C#N ZINC000274377537 1017553483 /nfs/dbraw/zinc/55/34/83/1017553483.db2.gz MBUMESAFYINIDT-VIFPVBQESA-N 1 2 341.358 3.893 20 30 EHEDLO Cn1c(Cl)nc(Cl)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000897589676 1032850792 /nfs/dbraw/zinc/85/07/92/1032850792.db2.gz SPQPJTRVRPOLFO-UHFFFAOYSA-N 1 2 349.265 3.978 20 30 EHEDLO C=CCSc1ccccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345440234 1020254075 /nfs/dbraw/zinc/25/40/75/1020254075.db2.gz PRJICYAUTOUZSC-INIZCTEOSA-N 1 2 340.448 3.653 20 30 EHEDLO C[N@H+](Cc1c(C(F)(F)F)nc2n1CCCC2)Cc1cccc(C#N)c1 ZINC000602442352 1032890271 /nfs/dbraw/zinc/89/02/71/1032890271.db2.gz WZRRZZKPMFTDTG-UHFFFAOYSA-N 1 2 348.372 3.742 20 30 EHEDLO C[N@@H+](Cc1c(C(F)(F)F)nc2n1CCCC2)Cc1cccc(C#N)c1 ZINC000602442352 1032890283 /nfs/dbraw/zinc/89/02/83/1032890283.db2.gz WZRRZZKPMFTDTG-UHFFFAOYSA-N 1 2 348.372 3.742 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCSC3CCCCC3)CCO2)c1 ZINC000501006404 1020642937 /nfs/dbraw/zinc/64/29/37/1020642937.db2.gz IYSRWGYQSACICK-LJQANCHMSA-N 1 2 330.497 3.997 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCSC3CCCCC3)CCO2)c1 ZINC000501006404 1020642940 /nfs/dbraw/zinc/64/29/40/1020642940.db2.gz IYSRWGYQSACICK-LJQANCHMSA-N 1 2 330.497 3.997 20 30 EHEDLO C[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1cccc(C#N)c1 ZINC000135120840 1020781685 /nfs/dbraw/zinc/78/16/85/1020781685.db2.gz KKJNUBQWJQYATA-UHFFFAOYSA-N 1 2 340.333 3.518 20 30 EHEDLO C[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1cccc(C#N)c1 ZINC000135120840 1020781687 /nfs/dbraw/zinc/78/16/87/1020781687.db2.gz KKJNUBQWJQYATA-UHFFFAOYSA-N 1 2 340.333 3.518 20 30 EHEDLO CCC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000507368844 1021222653 /nfs/dbraw/zinc/22/26/53/1021222653.db2.gz HUAZIBIKKWALED-OAHLLOKOSA-N 1 2 339.414 3.937 20 30 EHEDLO CCC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000507368844 1021222660 /nfs/dbraw/zinc/22/26/60/1021222660.db2.gz HUAZIBIKKWALED-OAHLLOKOSA-N 1 2 339.414 3.937 20 30 EHEDLO COc1cccc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c1 ZINC000426410829 1021521639 /nfs/dbraw/zinc/52/16/39/1021521639.db2.gz NJUWMGYYUBKEFD-UHFFFAOYSA-N 1 2 340.854 3.522 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccnn1C(C)C)c1ccc(Br)cc1 ZINC000894869673 1021539582 /nfs/dbraw/zinc/53/95/82/1021539582.db2.gz BYNBZXGCQMQHTD-INIZCTEOSA-N 1 2 332.245 3.691 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(O)c1Br ZINC000426558307 1021921127 /nfs/dbraw/zinc/92/11/27/1021921127.db2.gz UVVYWQLFSRTUKT-GFCCVEGCSA-N 1 2 326.234 3.704 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(O)c1Br ZINC000426558307 1021921139 /nfs/dbraw/zinc/92/11/39/1021921139.db2.gz UVVYWQLFSRTUKT-GFCCVEGCSA-N 1 2 326.234 3.704 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)n2)CC1 ZINC000328932836 1022549178 /nfs/dbraw/zinc/54/91/78/1022549178.db2.gz PIPCIOSXNXXIDY-UONOGXRCSA-N 1 2 349.500 3.968 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC000602700442 1033088417 /nfs/dbraw/zinc/08/84/17/1033088417.db2.gz SGKFEUNTPYYZLH-UHFFFAOYSA-N 1 2 344.234 3.592 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127730620 1022934203 /nfs/dbraw/zinc/93/42/03/1022934203.db2.gz DNEWMRRVGGJRKM-HNNXBMFYSA-N 1 2 341.480 3.991 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000127730620 1022934212 /nfs/dbraw/zinc/93/42/12/1022934212.db2.gz DNEWMRRVGGJRKM-HNNXBMFYSA-N 1 2 341.480 3.991 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+](CC)Cc2c[nH]c3ccccc23)c1=S ZINC000190406496 1023284792 /nfs/dbraw/zinc/28/47/92/1023284792.db2.gz NFXLJGIVDBQLTI-UHFFFAOYSA-N 1 2 341.484 3.869 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+](CC)Cc2c[nH]c3ccccc23)c1=S ZINC000190406496 1023284796 /nfs/dbraw/zinc/28/47/96/1023284796.db2.gz NFXLJGIVDBQLTI-UHFFFAOYSA-N 1 2 341.484 3.869 20 30 EHEDLO CCO[C@H](C)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000341976876 1023738446 /nfs/dbraw/zinc/73/84/46/1023738446.db2.gz UIGVTXFGQQMESI-CYBMUJFWSA-N 1 2 327.453 3.891 20 30 EHEDLO CN(C)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)[nH+]c1 ZINC000150909467 1023987295 /nfs/dbraw/zinc/98/72/95/1023987295.db2.gz PQUMLAIRBWGMQC-UHFFFAOYSA-N 1 2 346.438 3.537 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)Cc1cccc(C#N)c1 ZINC000063300674 1033180713 /nfs/dbraw/zinc/18/07/13/1033180713.db2.gz USTOCANPQJHVDW-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1C)Cc1cccc(C#N)c1 ZINC000063300674 1033180725 /nfs/dbraw/zinc/18/07/25/1033180725.db2.gz USTOCANPQJHVDW-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO C#CCOc1ccccc1C[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000151259254 1024081656 /nfs/dbraw/zinc/08/16/56/1024081656.db2.gz ONJIDECQPCNDCI-UHFFFAOYSA-N 1 2 335.432 3.507 20 30 EHEDLO O=C(C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1)NC1CCCCCC1 ZINC000330189536 1024348073 /nfs/dbraw/zinc/34/80/73/1024348073.db2.gz LVHXSPHYZLXAIR-MRXNPFEDSA-N 1 2 349.450 3.743 20 30 EHEDLO O=C(C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1)NC1CCCCCC1 ZINC000330189536 1024348082 /nfs/dbraw/zinc/34/80/82/1024348082.db2.gz LVHXSPHYZLXAIR-MRXNPFEDSA-N 1 2 349.450 3.743 20 30 EHEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1C[C@H]1C1CCCCC1 ZINC000330188545 1024348694 /nfs/dbraw/zinc/34/86/94/1024348694.db2.gz LEWPBNSYNKALMX-OKZBNKHCSA-N 1 2 330.476 3.539 20 30 EHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000330237856 1024364691 /nfs/dbraw/zinc/36/46/91/1024364691.db2.gz HTQYEVUGPNYLMU-HZPDHXFCSA-N 1 2 341.455 3.841 20 30 EHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000330237856 1024364708 /nfs/dbraw/zinc/36/47/08/1024364708.db2.gz HTQYEVUGPNYLMU-HZPDHXFCSA-N 1 2 341.455 3.841 20 30 EHEDLO CCc1cnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000346134700 1024462747 /nfs/dbraw/zinc/46/27/47/1024462747.db2.gz NQNVAJYDNMZDAY-UHFFFAOYSA-N 1 2 327.453 3.621 20 30 EHEDLO Cc1cc(CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC000895412559 1024484214 /nfs/dbraw/zinc/48/42/14/1024484214.db2.gz XDHMDUFRBIFDCO-UHFFFAOYSA-N 1 2 348.450 3.659 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000434988480 1024543888 /nfs/dbraw/zinc/54/38/88/1024543888.db2.gz SOLURGIYBBTOOH-FQEVSTJZSA-N 1 2 349.409 3.954 20 30 EHEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cccc2c3c([nH]c21)CCCC3 ZINC000330302049 1024594382 /nfs/dbraw/zinc/59/43/82/1024594382.db2.gz JHRPEJCDCKBYOZ-ZDUSSCGKSA-N 1 2 334.423 3.563 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C(=O)OCC ZINC000895701652 1024738357 /nfs/dbraw/zinc/73/83/57/1024738357.db2.gz TYYVACJLHDPPSW-IKGGRYGDSA-N 1 2 343.895 3.636 20 30 EHEDLO CC(C)c1noc([C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)n1 ZINC000602897605 1033249518 /nfs/dbraw/zinc/24/95/18/1033249518.db2.gz MTBLABXUWVVCIC-CQSZACIVSA-N 1 2 339.443 3.702 20 30 EHEDLO CC(C)(C)c1coc(C[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000897945000 1033254011 /nfs/dbraw/zinc/25/40/11/1033254011.db2.gz STGNJLHTKHEJIY-UHFFFAOYSA-N 1 2 327.428 3.944 20 30 EHEDLO N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000435929940 1025225139 /nfs/dbraw/zinc/22/51/39/1025225139.db2.gz UWPNWKDXUHQWQM-KRWDZBQOSA-N 1 2 330.391 3.788 20 30 EHEDLO COCC1(C)CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000347007696 1025404596 /nfs/dbraw/zinc/40/45/96/1025404596.db2.gz HMTJBGNJXIAJSV-UHFFFAOYSA-N 1 2 337.261 3.569 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000425533780 1025660449 /nfs/dbraw/zinc/66/04/49/1025660449.db2.gz LDNHHAQXOXCKKO-OAHLLOKOSA-N 1 2 331.423 3.547 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000425533780 1025660465 /nfs/dbraw/zinc/66/04/65/1025660465.db2.gz LDNHHAQXOXCKKO-OAHLLOKOSA-N 1 2 331.423 3.547 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCO[C@@H](C)C3)n2)C1 ZINC000329236696 1025686193 /nfs/dbraw/zinc/68/61/93/1025686193.db2.gz ONAKTCNSRCWGHW-HZSPNIEDSA-N 1 2 337.489 3.778 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCO[C@@H](C)C3)n2)C1 ZINC000329236696 1025686196 /nfs/dbraw/zinc/68/61/96/1025686196.db2.gz ONAKTCNSRCWGHW-HZSPNIEDSA-N 1 2 337.489 3.778 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)c(C#N)c1C ZINC000505837588 1025785879 /nfs/dbraw/zinc/78/58/79/1025785879.db2.gz FFFREQKEEXOMPL-ZGKFYVQTSA-N 1 2 349.434 3.884 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)c(C#N)c1C ZINC000505837588 1025785894 /nfs/dbraw/zinc/78/58/94/1025785894.db2.gz FFFREQKEEXOMPL-ZGKFYVQTSA-N 1 2 349.434 3.884 20 30 EHEDLO Cc1nc[nH]c1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329447508 1025856333 /nfs/dbraw/zinc/85/63/33/1025856333.db2.gz MFDOZKMQODGABC-HNNXBMFYSA-N 1 2 341.459 3.681 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCC1 ZINC000665587524 1026118953 /nfs/dbraw/zinc/11/89/53/1026118953.db2.gz SCENORFPMMPKHZ-KRWDZBQOSA-N 1 2 330.476 3.756 20 30 EHEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000121277993 1026589893 /nfs/dbraw/zinc/58/98/93/1026589893.db2.gz LUZSJCABXZHBRX-NRFANRHFSA-N 1 2 329.403 3.841 20 30 EHEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000897264261 1026606042 /nfs/dbraw/zinc/60/60/42/1026606042.db2.gz WXLCXLSCQOCORM-QZTJIDSGSA-N 1 2 334.410 3.573 20 30 EHEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000897264261 1026606053 /nfs/dbraw/zinc/60/60/53/1026606053.db2.gz WXLCXLSCQOCORM-QZTJIDSGSA-N 1 2 334.410 3.573 20 30 EHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000582595145 1026685447 /nfs/dbraw/zinc/68/54/47/1026685447.db2.gz VBXXIVIZSIUHEF-RBUKOAKNSA-N 1 2 335.455 3.965 20 30 EHEDLO C#Cc1cccc(NC(=O)CNc2cc(C(C)C)[nH+]c(C(C)C)n2)c1 ZINC000301858398 1026966934 /nfs/dbraw/zinc/96/69/34/1026966934.db2.gz COFHFUYUIKMKBM-UHFFFAOYSA-N 1 2 336.439 3.755 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000268218144 1027096771 /nfs/dbraw/zinc/09/67/71/1027096771.db2.gz BXICQPJUCGGMDF-MLGOLLRUSA-N 1 2 334.345 3.861 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000531617338 1027120677 /nfs/dbraw/zinc/12/06/77/1027120677.db2.gz XZUKMMSNKVKHRO-AWEZNQCLSA-N 1 2 332.419 3.641 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000531617338 1027120689 /nfs/dbraw/zinc/12/06/89/1027120689.db2.gz XZUKMMSNKVKHRO-AWEZNQCLSA-N 1 2 332.419 3.641 20 30 EHEDLO C=C(C)C[N@@H+](CC)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000501255272 1027159170 /nfs/dbraw/zinc/15/91/70/1027159170.db2.gz VUYUKPCTFSKBJN-CQSZACIVSA-N 1 2 326.234 3.561 20 30 EHEDLO C=C(C)C[N@H+](CC)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000501255272 1027159178 /nfs/dbraw/zinc/15/91/78/1027159178.db2.gz VUYUKPCTFSKBJN-CQSZACIVSA-N 1 2 326.234 3.561 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(C2CCCCC2)no1 ZINC000273348609 1027386877 /nfs/dbraw/zinc/38/68/77/1027386877.db2.gz XSCAVMCCYLOHKB-CQSZACIVSA-N 1 2 340.427 3.870 20 30 EHEDLO C[N@H+](CCOCC(F)(F)C(F)(F)F)Cc1c(F)cccc1F ZINC000549951422 1027814793 /nfs/dbraw/zinc/81/47/93/1027814793.db2.gz JYWHLVIRZZUMCC-UHFFFAOYSA-N 1 2 333.247 3.611 20 30 EHEDLO C[N@@H+](CCOCC(F)(F)C(F)(F)F)Cc1c(F)cccc1F ZINC000549951422 1027814814 /nfs/dbraw/zinc/81/48/14/1027814814.db2.gz JYWHLVIRZZUMCC-UHFFFAOYSA-N 1 2 333.247 3.611 20 30 EHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCCC#N)n1 ZINC000362683851 1027845508 /nfs/dbraw/zinc/84/55/08/1027845508.db2.gz MRIYGVIDJCVYFV-UHFFFAOYSA-N 1 2 337.452 3.745 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1C ZINC000444712229 1028193236 /nfs/dbraw/zinc/19/32/36/1028193236.db2.gz YMJQDXPVQFQJQH-CQSZACIVSA-N 1 2 328.378 3.748 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1C ZINC000444712229 1028193248 /nfs/dbraw/zinc/19/32/48/1028193248.db2.gz YMJQDXPVQFQJQH-CQSZACIVSA-N 1 2 328.378 3.748 20 30 EHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052162628 1029142157 /nfs/dbraw/zinc/14/21/57/1029142157.db2.gz DFQURJRSZYNQRH-AWEZNQCLSA-N 1 2 333.863 3.675 20 30 EHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052162628 1029142164 /nfs/dbraw/zinc/14/21/64/1029142164.db2.gz DFQURJRSZYNQRH-AWEZNQCLSA-N 1 2 333.863 3.675 20 30 EHEDLO C#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000179251272 1029183941 /nfs/dbraw/zinc/18/39/41/1029183941.db2.gz GEGSXZRJOSRHMH-UHFFFAOYSA-N 1 2 344.459 3.508 20 30 EHEDLO COc1cccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)cs2)c1 ZINC000272472112 1029471617 /nfs/dbraw/zinc/47/16/17/1029471617.db2.gz AEEOGUQQQQKCJF-UHFFFAOYSA-N 1 2 327.453 3.944 20 30 EHEDLO CN(C)c1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)c[nH+]1 ZINC000162962706 1029743120 /nfs/dbraw/zinc/74/31/20/1029743120.db2.gz RFHPHRIXJNCBIL-UHFFFAOYSA-N 1 2 346.438 3.537 20 30 EHEDLO C=C(Br)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000271721901 1029799105 /nfs/dbraw/zinc/79/91/05/1029799105.db2.gz OAVUGAFWKPGSBX-VIFPVBQESA-N 1 2 330.176 3.991 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)c1C#N ZINC000533778717 1029824744 /nfs/dbraw/zinc/82/47/44/1029824744.db2.gz YURDXJKULLNUKL-CYBMUJFWSA-N 1 2 326.371 3.677 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)c1C#N ZINC000533778717 1029824751 /nfs/dbraw/zinc/82/47/51/1029824751.db2.gz YURDXJKULLNUKL-CYBMUJFWSA-N 1 2 326.371 3.677 20 30 EHEDLO C[NH+](C)Cc1cccc(C(O)=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000453781836 1030510353 /nfs/dbraw/zinc/51/03/53/1030510353.db2.gz SQMJNQDPCAZNLI-HNNXBMFYSA-N 1 2 341.480 3.992 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000093457529 1030616383 /nfs/dbraw/zinc/61/63/83/1030616383.db2.gz CDXCCXSKKMBPEW-HXUWFJFHSA-N 1 2 325.408 3.531 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000093457529 1030616390 /nfs/dbraw/zinc/61/63/90/1030616390.db2.gz CDXCCXSKKMBPEW-HXUWFJFHSA-N 1 2 325.408 3.531 20 30 EHEDLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)CCO2)cc1 ZINC000483429473 1031161291 /nfs/dbraw/zinc/16/12/91/1031161291.db2.gz RHVFMNPBVCGYRI-NRFANRHFSA-N 1 2 336.435 3.703 20 30 EHEDLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)CCO2)cc1 ZINC000483429473 1031161296 /nfs/dbraw/zinc/16/12/96/1031161296.db2.gz RHVFMNPBVCGYRI-NRFANRHFSA-N 1 2 336.435 3.703 20 30 EHEDLO N#Cc1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)cc1Cl ZINC000783881120 1031247179 /nfs/dbraw/zinc/24/71/79/1031247179.db2.gz QZDIARDSQCPCCL-UHFFFAOYSA-N 1 2 327.800 3.905 20 30 EHEDLO N#CCCCCCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224689309 1031415796 /nfs/dbraw/zinc/41/57/96/1031415796.db2.gz BAXIJUBTGPYSHD-ZDUSSCGKSA-N 1 2 327.881 3.861 20 30 EHEDLO N#CCCCCCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224689309 1031415804 /nfs/dbraw/zinc/41/58/04/1031415804.db2.gz BAXIJUBTGPYSHD-ZDUSSCGKSA-N 1 2 327.881 3.861 20 30 EHEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180481945 1031880966 /nfs/dbraw/zinc/88/09/66/1031880966.db2.gz VZCXFRDMULUWDM-WMZOPIPTSA-N 1 2 336.838 3.534 20 30 EHEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000180481945 1031880982 /nfs/dbraw/zinc/88/09/82/1031880982.db2.gz VZCXFRDMULUWDM-WMZOPIPTSA-N 1 2 336.838 3.534 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C(F)F)C1CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000598651103 1033365861 /nfs/dbraw/zinc/36/58/61/1033365861.db2.gz WELSPMKSWAYLSM-UKRRQHHQSA-N 1 2 341.446 3.521 20 30 EHEDLO C=CCCn1cc(CSCc2ccc(-n3cc[nH+]c3)cc2C)nn1 ZINC000594558807 1033451273 /nfs/dbraw/zinc/45/12/73/1033451273.db2.gz GGBGQDFYNWOBDO-UHFFFAOYSA-N 1 2 339.468 3.782 20 30 EHEDLO CC(C)([NH2+]Cc1ncc(Br)s1)c1cccc(C#N)c1 ZINC000594969299 1033575956 /nfs/dbraw/zinc/57/59/56/1033575956.db2.gz OOGZGPVUNNQHLI-UHFFFAOYSA-N 1 2 336.258 3.802 20 30 EHEDLO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000657977070 1033786936 /nfs/dbraw/zinc/78/69/36/1033786936.db2.gz XBGGUXUBSXDFER-RDJZCZTQSA-N 1 2 326.444 3.608 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614916 1033928183 /nfs/dbraw/zinc/92/81/83/1033928183.db2.gz JPNISZNUXHEJDP-KGLIPLIRSA-N 1 2 349.862 3.610 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614916 1033928192 /nfs/dbraw/zinc/92/81/92/1033928192.db2.gz JPNISZNUXHEJDP-KGLIPLIRSA-N 1 2 349.862 3.610 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595673959 1033944273 /nfs/dbraw/zinc/94/42/73/1033944273.db2.gz GXSUTYSZALJWPP-SZVBFZGTSA-N 1 2 343.471 3.640 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595673959 1033944282 /nfs/dbraw/zinc/94/42/82/1033944282.db2.gz GXSUTYSZALJWPP-SZVBFZGTSA-N 1 2 343.471 3.640 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595673958 1033945674 /nfs/dbraw/zinc/94/56/74/1033945674.db2.gz GXSUTYSZALJWPP-SUMDDJOVSA-N 1 2 343.471 3.640 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595673958 1033945683 /nfs/dbraw/zinc/94/56/83/1033945683.db2.gz GXSUTYSZALJWPP-SUMDDJOVSA-N 1 2 343.471 3.640 20 30 EHEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC000603831619 1033957326 /nfs/dbraw/zinc/95/73/26/1033957326.db2.gz CSZNWLYHSKSETQ-QGZVFWFLSA-N 1 2 341.499 3.665 20 30 EHEDLO Cc1c(C#N)c(N(C)Cc2cn3c([nH+]2)CCCC3)nc2ccccc12 ZINC000450487071 1034418085 /nfs/dbraw/zinc/41/80/85/1034418085.db2.gz MKOIXEYSMLKYNF-UHFFFAOYSA-N 1 2 331.423 3.584 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(F)c1 ZINC000179518509 1034465636 /nfs/dbraw/zinc/46/56/36/1034465636.db2.gz IQHVHYUEAISGQH-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(F)c1 ZINC000179518509 1034465641 /nfs/dbraw/zinc/46/56/41/1034465641.db2.gz IQHVHYUEAISGQH-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450529523 1034485029 /nfs/dbraw/zinc/48/50/29/1034485029.db2.gz VBFFZTNPMYJTMJ-ZBFHGGJFSA-N 1 2 340.389 3.568 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450529523 1034485044 /nfs/dbraw/zinc/48/50/44/1034485044.db2.gz VBFFZTNPMYJTMJ-ZBFHGGJFSA-N 1 2 340.389 3.568 20 30 EHEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](c4ccccc4F)C3)cc2)CC1 ZINC000596997575 1034498697 /nfs/dbraw/zinc/49/86/97/1034498697.db2.gz DSPSIQCJVHVZDO-FQEVSTJZSA-N 1 2 336.410 3.954 20 30 EHEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@H](c4ccccc4F)C3)cc2)CC1 ZINC000596997575 1034498703 /nfs/dbraw/zinc/49/87/03/1034498703.db2.gz DSPSIQCJVHVZDO-FQEVSTJZSA-N 1 2 336.410 3.954 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000597241756 1034620208 /nfs/dbraw/zinc/62/02/08/1034620208.db2.gz GVCAPQITMXSTCO-CJNGLKHVSA-N 1 2 338.373 3.783 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000597241756 1034620213 /nfs/dbraw/zinc/62/02/13/1034620213.db2.gz GVCAPQITMXSTCO-CJNGLKHVSA-N 1 2 338.373 3.783 20 30 EHEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612405622 1034898168 /nfs/dbraw/zinc/89/81/68/1034898168.db2.gz BIOAWCJYIVTXDG-OAQYLSRUSA-N 1 2 336.483 3.982 20 30 EHEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612405622 1034898179 /nfs/dbraw/zinc/89/81/79/1034898179.db2.gz BIOAWCJYIVTXDG-OAQYLSRUSA-N 1 2 336.483 3.982 20 30 EHEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000129999613 1034997054 /nfs/dbraw/zinc/99/70/54/1034997054.db2.gz WZVKETFZFJWTJF-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1ccc(F)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000129999613 1034997060 /nfs/dbraw/zinc/99/70/60/1034997060.db2.gz WZVKETFZFJWTJF-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180028595 1035223451 /nfs/dbraw/zinc/22/34/51/1035223451.db2.gz JGONKPSPNCIBIK-UHFFFAOYSA-N 1 2 328.847 3.672 20 30 EHEDLO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180028595 1035223455 /nfs/dbraw/zinc/22/34/55/1035223455.db2.gz JGONKPSPNCIBIK-UHFFFAOYSA-N 1 2 328.847 3.672 20 30 EHEDLO C[C@@H](CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)n1cc[nH+]c1 ZINC000580197343 1035421777 /nfs/dbraw/zinc/42/17/77/1035421777.db2.gz ZIIOZSXTGYXUMZ-NEPJUHHUSA-N 1 2 328.441 3.531 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000760671120 1035572065 /nfs/dbraw/zinc/57/20/65/1035572065.db2.gz XZDHBAJYVMHZDW-HNNXBMFYSA-N 1 2 338.373 3.563 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000760671120 1035572082 /nfs/dbraw/zinc/57/20/82/1035572082.db2.gz XZDHBAJYVMHZDW-HNNXBMFYSA-N 1 2 338.373 3.563 20 30 EHEDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C#N)cc2Br)C1 ZINC000534883218 1035743795 /nfs/dbraw/zinc/74/37/95/1035743795.db2.gz ANFWAAVOJHBZPL-KRWDZBQOSA-N 1 2 342.240 3.919 20 30 EHEDLO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(C#N)cc2Br)C1 ZINC000534883218 1035743818 /nfs/dbraw/zinc/74/38/18/1035743818.db2.gz ANFWAAVOJHBZPL-KRWDZBQOSA-N 1 2 342.240 3.919 20 30 EHEDLO Cc1nc(-c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)cs1 ZINC000589310674 1036355505 /nfs/dbraw/zinc/35/55/05/1036355505.db2.gz ZZEJVZWAFCVLDD-UHFFFAOYSA-N 1 2 326.450 3.737 20 30 EHEDLO Cc1oc(NC(=O)C[NH+]2CCC(C3CCCC3)CC2)c(C#N)c1C ZINC000610393459 1036618056 /nfs/dbraw/zinc/61/80/56/1036618056.db2.gz PJPPTKXEESXSGS-UHFFFAOYSA-N 1 2 329.444 3.609 20 30 EHEDLO C=CCCn1cc(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)nn1 ZINC000653557138 1036635227 /nfs/dbraw/zinc/63/52/27/1036635227.db2.gz DNJUGZQBPCCYBS-CRAIPNDOSA-N 1 2 328.485 3.533 20 30 EHEDLO C=CCCn1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)nn1 ZINC000653557138 1036635239 /nfs/dbraw/zinc/63/52/39/1036635239.db2.gz DNJUGZQBPCCYBS-CRAIPNDOSA-N 1 2 328.485 3.533 20 30 EHEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CC#N)CC2)c(Cl)c1 ZINC000541951649 1036883053 /nfs/dbraw/zinc/88/30/53/1036883053.db2.gz GLUKQDOPSMELCJ-CQSZACIVSA-N 1 2 333.863 3.910 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539827320 1037253279 /nfs/dbraw/zinc/25/32/79/1037253279.db2.gz QEMWZWABEXMZOI-TZIWHRDSSA-N 1 2 343.434 3.743 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539827320 1037253288 /nfs/dbraw/zinc/25/32/88/1037253288.db2.gz QEMWZWABEXMZOI-TZIWHRDSSA-N 1 2 343.434 3.743 20 30 EHEDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181203594 1037440683 /nfs/dbraw/zinc/44/06/83/1037440683.db2.gz SBHDTXDBPDULET-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181203594 1037440692 /nfs/dbraw/zinc/44/06/92/1037440692.db2.gz SBHDTXDBPDULET-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO COc1cc(C[N@H+](Cc2ccc(F)cc2C#N)C2CC2)ccc1O ZINC000089973671 1037503546 /nfs/dbraw/zinc/50/35/46/1037503546.db2.gz GZFNGXIICANEIF-UHFFFAOYSA-N 1 2 326.371 3.576 20 30 EHEDLO COc1cc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CC2)ccc1O ZINC000089973671 1037503556 /nfs/dbraw/zinc/50/35/56/1037503556.db2.gz GZFNGXIICANEIF-UHFFFAOYSA-N 1 2 326.371 3.576 20 30 EHEDLO C#CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000760854570 1037535470 /nfs/dbraw/zinc/53/54/70/1037535470.db2.gz ABNDGYJEVFPACH-HNNXBMFYSA-N 1 2 325.239 3.810 20 30 EHEDLO C#CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000760854570 1037535481 /nfs/dbraw/zinc/53/54/81/1037535481.db2.gz ABNDGYJEVFPACH-HNNXBMFYSA-N 1 2 325.239 3.810 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2Oc2cccnc2)n1 ZINC000491750063 1037664778 /nfs/dbraw/zinc/66/47/78/1037664778.db2.gz UGAVYXPDMPLDDG-UHFFFAOYSA-N 1 2 346.434 3.726 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2Oc2cccnc2)n1 ZINC000491750063 1037664793 /nfs/dbraw/zinc/66/47/93/1037664793.db2.gz UGAVYXPDMPLDDG-UHFFFAOYSA-N 1 2 346.434 3.726 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1c(C)nc2sc(C)nn12)c1ccc(Cl)cc1 ZINC000491777038 1037684073 /nfs/dbraw/zinc/68/40/73/1037684073.db2.gz GZFXFYJJRHEWLX-CQSZACIVSA-N 1 2 330.844 3.525 20 30 EHEDLO Cc1nc([C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150080 1037852239 /nfs/dbraw/zinc/85/22/39/1037852239.db2.gz CHWMLRJUPOLWID-SCLBCKFNSA-N 1 2 345.830 3.715 20 30 EHEDLO Cc1nc([C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150080 1037852266 /nfs/dbraw/zinc/85/22/66/1037852266.db2.gz CHWMLRJUPOLWID-SCLBCKFNSA-N 1 2 345.830 3.715 20 30 EHEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)o1 ZINC000009957269 1038423675 /nfs/dbraw/zinc/42/36/75/1038423675.db2.gz YIXPJSMZHFTDEU-UHFFFAOYSA-N 1 2 345.830 3.620 20 30 EHEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)o1 ZINC000009957269 1038423681 /nfs/dbraw/zinc/42/36/81/1038423681.db2.gz YIXPJSMZHFTDEU-UHFFFAOYSA-N 1 2 345.830 3.620 20 30 EHEDLO COc1ccc2oc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2c1 ZINC000378376181 1038543169 /nfs/dbraw/zinc/54/31/69/1038543169.db2.gz KGRPBEAOHBZKLU-NRFANRHFSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1ccc2oc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc2c1 ZINC000378376181 1038543173 /nfs/dbraw/zinc/54/31/73/1038543173.db2.gz KGRPBEAOHBZKLU-NRFANRHFSA-N 1 2 348.402 3.887 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000552088868 1038947144 /nfs/dbraw/zinc/94/71/44/1038947144.db2.gz UZBNFZQXYXIQPZ-IBGZPJMESA-N 1 2 337.398 3.993 20 30 EHEDLO C=CCC(C)(C)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000432808802 1039314011 /nfs/dbraw/zinc/31/40/11/1039314011.db2.gz UMICMYDVAOKHNJ-INIZCTEOSA-N 1 2 345.487 3.804 20 30 EHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cc(C)[nH+]cc1C ZINC000554491158 1039396802 /nfs/dbraw/zinc/39/68/02/1039396802.db2.gz ARQSTSKKSLWBHK-UHFFFAOYSA-N 1 2 341.459 3.508 20 30 EHEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000417356095 1039715926 /nfs/dbraw/zinc/71/59/26/1039715926.db2.gz BLDZHVWABCKVPD-IAQYHMDHSA-N 1 2 341.436 3.530 20 30 EHEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(Cc3cccs3)CC2)cc1 ZINC000614159759 1040309579 /nfs/dbraw/zinc/30/95/79/1040309579.db2.gz SODJUTYBAOPWSF-UHFFFAOYSA-N 1 2 339.508 3.867 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1ncc(Br)cn1 ZINC000411488520 1040901166 /nfs/dbraw/zinc/90/11/66/1040901166.db2.gz IOZKQVNZCUMCJL-LBPRGKRZSA-N 1 2 336.233 3.624 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1ncc(Br)cn1 ZINC000411488520 1040901189 /nfs/dbraw/zinc/90/11/89/1040901189.db2.gz IOZKQVNZCUMCJL-LBPRGKRZSA-N 1 2 336.233 3.624 20 30 EHEDLO C=CCC1(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC1 ZINC000663553865 1042992999 /nfs/dbraw/zinc/99/29/99/1042992999.db2.gz MUMOYAPTDJAGOP-UHFFFAOYSA-N 1 2 342.487 3.760 20 30 EHEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075612117 1128003969 /nfs/dbraw/zinc/00/39/69/1128003969.db2.gz JUHCUJGFZDODDU-GFCCVEGCSA-N 1 2 336.420 3.789 20 30 EHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075612117 1128003974 /nfs/dbraw/zinc/00/39/74/1128003974.db2.gz JUHCUJGFZDODDU-GFCCVEGCSA-N 1 2 336.420 3.789 20 30 EHEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)cc1C#N ZINC001168605506 1128343286 /nfs/dbraw/zinc/34/32/86/1128343286.db2.gz XUEBDPQAYRNSKT-JKSUJKDBSA-N 1 2 343.471 3.696 20 30 EHEDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)cc1C#N ZINC001168605506 1128343290 /nfs/dbraw/zinc/34/32/90/1128343290.db2.gz XUEBDPQAYRNSKT-JKSUJKDBSA-N 1 2 343.471 3.696 20 30 EHEDLO CC(C)Oc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC000153556962 1128448230 /nfs/dbraw/zinc/44/82/30/1128448230.db2.gz DEYJJZJKETXSNR-UHFFFAOYSA-N 1 2 346.390 3.783 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301277898 1128581439 /nfs/dbraw/zinc/58/14/39/1128581439.db2.gz JETKQZJWJWVOAU-UHFFFAOYSA-N 1 2 343.312 3.770 20 30 EHEDLO N#Cc1cc2c(nc1NCc1ccc(-n3cc[nH+]c3)c(F)c1)CCCC2 ZINC000301889627 1128610327 /nfs/dbraw/zinc/61/03/27/1128610327.db2.gz NPVFMSBCCNRBNH-UHFFFAOYSA-N 1 2 347.397 3.769 20 30 EHEDLO CC1(C#N)CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000231532654 1121035222 /nfs/dbraw/zinc/03/52/22/1121035222.db2.gz JEAOSSMGZXTGBW-UHFFFAOYSA-N 1 2 335.245 3.510 20 30 EHEDLO C#CCOc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000762074713 1121091450 /nfs/dbraw/zinc/09/14/50/1121091450.db2.gz HLMJKIULRQRAMM-UHFFFAOYSA-N 1 2 342.358 3.601 20 30 EHEDLO C#CCOc1cccc(-c2noc([C@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923860592 1121288919 /nfs/dbraw/zinc/28/89/19/1121288919.db2.gz FMZVBAKWHWMKBJ-KRWDZBQOSA-N 1 2 336.395 3.581 20 30 EHEDLO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000922018100 1129031973 /nfs/dbraw/zinc/03/19/73/1129031973.db2.gz GYKVXFAFDBBMGW-UHFFFAOYSA-N 1 2 327.428 3.768 20 30 EHEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CCCCC1 ZINC000917094250 1122495238 /nfs/dbraw/zinc/49/52/38/1122495238.db2.gz OFHPGUYFGZJRBG-OAHLLOKOSA-N 1 2 341.480 3.985 20 30 EHEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CCCCC1 ZINC000917094250 1122495240 /nfs/dbraw/zinc/49/52/40/1122495240.db2.gz OFHPGUYFGZJRBG-OAHLLOKOSA-N 1 2 341.480 3.985 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2cc(-c3ccc(F)cc3)no2)ccc1F ZINC000920401263 1123363917 /nfs/dbraw/zinc/36/39/17/1123363917.db2.gz IEOHFRHEHVDOGF-UHFFFAOYSA-N 1 2 343.333 3.765 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000609427570 1123577869 /nfs/dbraw/zinc/57/78/69/1123577869.db2.gz KWLYRZNRFOYBMT-CQSZACIVSA-N 1 2 328.441 3.696 20 30 EHEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000181732218 1125024456 /nfs/dbraw/zinc/02/44/56/1125024456.db2.gz ROTSGGLLYRTFNF-LLVKDONJSA-N 1 2 331.778 3.640 20 30 EHEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1c(F)cccc1Cl ZINC000181749811 1125026804 /nfs/dbraw/zinc/02/68/04/1125026804.db2.gz CPIMMBLUIJLEDU-VIFPVBQESA-N 1 2 337.807 3.702 20 30 EHEDLO Cc1ccc(C[NH2+]Cc2nccc(C)c2Br)cc1C#N ZINC000922759237 1129653453 /nfs/dbraw/zinc/65/34/53/1129653453.db2.gz FZPBMLQQAPLYCM-UHFFFAOYSA-N 1 2 330.229 3.622 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000428990280 1129670571 /nfs/dbraw/zinc/67/05/71/1129670571.db2.gz GQVGSEMDTWURDP-MRXNPFEDSA-N 1 2 349.272 3.569 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000428990280 1129670572 /nfs/dbraw/zinc/67/05/72/1129670572.db2.gz GQVGSEMDTWURDP-MRXNPFEDSA-N 1 2 349.272 3.569 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1=S ZINC000729985086 1130662141 /nfs/dbraw/zinc/66/21/41/1130662141.db2.gz GPJFUSXONLHMGA-GOSISDBHSA-N 1 2 342.512 3.821 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1=S ZINC000729985086 1130662144 /nfs/dbraw/zinc/66/21/44/1130662144.db2.gz GPJFUSXONLHMGA-GOSISDBHSA-N 1 2 342.512 3.821 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1=S ZINC000729985087 1130662555 /nfs/dbraw/zinc/66/25/55/1130662555.db2.gz GPJFUSXONLHMGA-SFHVURJKSA-N 1 2 342.512 3.821 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1=S ZINC000729985087 1130662559 /nfs/dbraw/zinc/66/25/59/1130662559.db2.gz GPJFUSXONLHMGA-SFHVURJKSA-N 1 2 342.512 3.821 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](CCC#N)Cc2ccccc2)C1 ZINC000730433374 1130711760 /nfs/dbraw/zinc/71/17/60/1130711760.db2.gz XVLMPCBUKNWKIY-SFHVURJKSA-N 1 2 343.471 3.802 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC000730433374 1130711764 /nfs/dbraw/zinc/71/17/64/1130711764.db2.gz XVLMPCBUKNWKIY-SFHVURJKSA-N 1 2 343.471 3.802 20 30 EHEDLO COc1cc(CO[NH+]=C(N)c2ccc(Cl)cc2)ccc1SC ZINC000731663874 1130826585 /nfs/dbraw/zinc/82/65/85/1130826585.db2.gz FNLQMYCQUVQIPM-UHFFFAOYSA-N 1 2 336.844 3.908 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000732057162 1130882563 /nfs/dbraw/zinc/88/25/63/1130882563.db2.gz DQNNQIVTCYEWNA-IBGZPJMESA-N 1 2 349.434 3.527 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000732057162 1130882570 /nfs/dbraw/zinc/88/25/70/1130882570.db2.gz DQNNQIVTCYEWNA-IBGZPJMESA-N 1 2 349.434 3.527 20 30 EHEDLO COc1ccc(C(N)=[NH+]OCCOc2cccc3ccccc32)cc1 ZINC000733308202 1131020183 /nfs/dbraw/zinc/02/01/83/1131020183.db2.gz ZCMPIRUYFLOMFU-UHFFFAOYSA-N 1 2 336.391 3.564 20 30 EHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c(OC)c1 ZINC000737445135 1131641945 /nfs/dbraw/zinc/64/19/45/1131641945.db2.gz YJSIDACFZLZIGD-QPJJXVBHSA-N 1 2 342.782 3.901 20 30 EHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172559185 1131770477 /nfs/dbraw/zinc/77/04/77/1131770477.db2.gz YCUAXYYCPHYHRM-QHAWAJNXSA-N 1 2 348.446 3.568 20 30 EHEDLO CC(C)OC(=O)CC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172749306 1131831237 /nfs/dbraw/zinc/83/12/37/1131831237.db2.gz ZQFFOWOAXSXCTB-MRVPVSSYSA-N 1 2 341.267 3.529 20 30 EHEDLO CC(C)(O)C#Cc1cccc(Nc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC001174523325 1132400293 /nfs/dbraw/zinc/40/02/93/1132400293.db2.gz IOSFEMFOYBHTRN-UHFFFAOYSA-N 1 2 335.451 3.938 20 30 EHEDLO N#Cc1cc(Cl)c(Nc2ccc(N3CCOCC3)[nH+]c2)c(Cl)c1 ZINC001174977601 1132510881 /nfs/dbraw/zinc/51/08/81/1132510881.db2.gz WAMYWCRGUADMEU-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO CC1(C)CC(=O)C=C(Nc2c[nH+]c3cc(Br)ccn23)C1 ZINC001169952821 1132907599 /nfs/dbraw/zinc/90/75/99/1132907599.db2.gz HAGOPKONJJAXHM-UHFFFAOYSA-N 1 2 334.217 3.782 20 30 EHEDLO COc1ncc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1Cl ZINC000767727988 1133043918 /nfs/dbraw/zinc/04/39/18/1133043918.db2.gz HCTOZLFBZMVRQK-UHFFFAOYSA-N 1 2 339.826 3.905 20 30 EHEDLO COc1ncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1Cl ZINC000767727988 1133043923 /nfs/dbraw/zinc/04/39/23/1133043923.db2.gz HCTOZLFBZMVRQK-UHFFFAOYSA-N 1 2 339.826 3.905 20 30 EHEDLO CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000768376084 1133133460 /nfs/dbraw/zinc/13/34/60/1133133460.db2.gz PJAJGJABNYWIDF-UHFFFAOYSA-N 1 2 336.786 3.628 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Br)cc(F)c(C)c2F)C1 ZINC001249876975 1133187370 /nfs/dbraw/zinc/18/73/70/1133187370.db2.gz WYDGUCSTWOXNOP-LLVKDONJSA-N 1 2 328.200 3.881 20 30 EHEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Br)cc(F)c(C)c2F)C1 ZINC001249876975 1133187373 /nfs/dbraw/zinc/18/73/73/1133187373.db2.gz WYDGUCSTWOXNOP-LLVKDONJSA-N 1 2 328.200 3.881 20 30 EHEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000769310023 1133258786 /nfs/dbraw/zinc/25/87/86/1133258786.db2.gz WJFIMEOTPHPTDI-OAQYLSRUSA-N 1 2 339.410 3.801 20 30 EHEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000769310023 1133258793 /nfs/dbraw/zinc/25/87/93/1133258793.db2.gz WJFIMEOTPHPTDI-OAQYLSRUSA-N 1 2 339.410 3.801 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccccc3OCC3CC3)CCO2)c1 ZINC000770390151 1133421559 /nfs/dbraw/zinc/42/15/59/1133421559.db2.gz KTWFGKKCZRVCNN-JOCHJYFZSA-N 1 2 348.446 3.921 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3OCC3CC3)CCO2)c1 ZINC000770390151 1133421566 /nfs/dbraw/zinc/42/15/66/1133421566.db2.gz KTWFGKKCZRVCNN-JOCHJYFZSA-N 1 2 348.446 3.921 20 30 EHEDLO N#Cc1sccc1NC(=O)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181485027 1133496921 /nfs/dbraw/zinc/49/69/21/1133496921.db2.gz NSXKSPZCEILSPG-UHFFFAOYSA-N 1 2 337.448 3.613 20 30 EHEDLO N#Cc1sccc1NC(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181485027 1133496924 /nfs/dbraw/zinc/49/69/24/1133496924.db2.gz NSXKSPZCEILSPG-UHFFFAOYSA-N 1 2 337.448 3.613 20 30 EHEDLO Cc1cccc(N=C2NC(=O)/C(=C/c3c[nH+]c4ccc(C)cn34)S2)c1 ZINC000771845769 1133599283 /nfs/dbraw/zinc/59/92/83/1133599283.db2.gz MQDHTJVVPUEFAA-SXGWCWSVSA-N 1 2 348.431 3.843 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)n2c1 ZINC000771860315 1133608133 /nfs/dbraw/zinc/60/81/33/1133608133.db2.gz QSCRWIODQSSYOB-VURMDHGXSA-N 1 2 345.402 3.769 20 30 EHEDLO O=C1C/C(=C\c2cc(-n3cc[nH+]c3)cs2)C(=O)c2ccccc2N1 ZINC000774144141 1133621530 /nfs/dbraw/zinc/62/15/30/1133621530.db2.gz ZSIFAFSWESNCGK-KPKJPENVSA-N 1 2 335.388 3.542 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183017838 1133761102 /nfs/dbraw/zinc/76/11/02/1133761102.db2.gz AYJWGRLGUGCIRD-HNNXBMFYSA-N 1 2 330.391 3.543 20 30 EHEDLO CC(C)N(CC1CC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183830600 1133862168 /nfs/dbraw/zinc/86/21/68/1133862168.db2.gz GBJIEEYRZHNVSP-HXUWFJFHSA-N 1 2 339.483 3.560 20 30 EHEDLO CC(C)N(CC1CC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183830600 1133862175 /nfs/dbraw/zinc/86/21/75/1133862175.db2.gz GBJIEEYRZHNVSP-HXUWFJFHSA-N 1 2 339.483 3.560 20 30 EHEDLO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000787653573 1134026111 /nfs/dbraw/zinc/02/61/11/1134026111.db2.gz PTEJTSREXGVMMT-CQSZACIVSA-N 1 2 329.831 3.859 20 30 EHEDLO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000787653573 1134026117 /nfs/dbraw/zinc/02/61/17/1134026117.db2.gz PTEJTSREXGVMMT-CQSZACIVSA-N 1 2 329.831 3.859 20 30 EHEDLO C#CC[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1)c1ccccc1 ZINC000775401293 1134729287 /nfs/dbraw/zinc/72/92/87/1134729287.db2.gz RLRMFFZQOYMDRN-IBGZPJMESA-N 1 2 336.826 3.775 20 30 EHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000793165806 1134858558 /nfs/dbraw/zinc/85/85/58/1134858558.db2.gz CCCPACRNBYNEAC-ROUUACIJSA-N 1 2 338.455 3.502 20 30 EHEDLO Cc1csc(C(C#N)C(=O)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000805844987 1135344629 /nfs/dbraw/zinc/34/46/29/1135344629.db2.gz FZZAVHWTUAGVIZ-QGZVFWFLSA-N 1 2 339.464 3.540 20 30 EHEDLO Cc1csc([C@H](C#N)C(=O)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000805844987 1135344634 /nfs/dbraw/zinc/34/46/34/1135344634.db2.gz FZZAVHWTUAGVIZ-QGZVFWFLSA-N 1 2 339.464 3.540 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC001195822829 1135476833 /nfs/dbraw/zinc/47/68/33/1135476833.db2.gz CQEZRAKAUYWRIM-UHFFFAOYSA-N 1 2 342.389 3.576 20 30 EHEDLO O=C(C#Cc1ccccc1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000747359769 1135494944 /nfs/dbraw/zinc/49/49/44/1135494944.db2.gz FMDYZVHONWZAPM-UHFFFAOYSA-N 1 2 341.414 3.877 20 30 EHEDLO N#CC(CC[N@@H+]1CCn2nccc2C1)(c1ccccc1)c1ccccc1 ZINC001196410910 1135559698 /nfs/dbraw/zinc/55/96/98/1135559698.db2.gz VPRAPOTUWNTKBV-UHFFFAOYSA-N 1 2 342.446 3.599 20 30 EHEDLO N#CC(CC[N@H+]1CCn2nccc2C1)(c1ccccc1)c1ccccc1 ZINC001196410910 1135559701 /nfs/dbraw/zinc/55/97/01/1135559701.db2.gz VPRAPOTUWNTKBV-UHFFFAOYSA-N 1 2 342.446 3.599 20 30 EHEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc[nH+]c(C2CCC2)c1 ZINC001196651839 1135593679 /nfs/dbraw/zinc/59/36/79/1135593679.db2.gz KVBDDYANYXCMGF-UHFFFAOYSA-N 1 2 347.827 3.675 20 30 EHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001196769765 1135612801 /nfs/dbraw/zinc/61/28/01/1135612801.db2.gz AVWJRJKZCVGQBA-ZBFHGGJFSA-N 1 2 348.874 3.679 20 30 EHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC#Cc1ccccc1Cl ZINC001196769765 1135612804 /nfs/dbraw/zinc/61/28/04/1135612804.db2.gz AVWJRJKZCVGQBA-ZBFHGGJFSA-N 1 2 348.874 3.679 20 30 EHEDLO CC[N@H+](Cc1ncc(C2OCCO2)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000809547545 1135854911 /nfs/dbraw/zinc/85/49/11/1135854911.db2.gz RMSOXVNAPUICFC-ZDUSSCGKSA-N 1 2 343.452 3.643 20 30 EHEDLO CC[N@@H+](Cc1ncc(C2OCCO2)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000809547545 1135854915 /nfs/dbraw/zinc/85/49/15/1135854915.db2.gz RMSOXVNAPUICFC-ZDUSSCGKSA-N 1 2 343.452 3.643 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1F ZINC000809698776 1135869028 /nfs/dbraw/zinc/86/90/28/1135869028.db2.gz IQTYPNQKPDZBFS-MRXNPFEDSA-N 1 2 333.790 3.960 20 30 EHEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC001202364898 1136134088 /nfs/dbraw/zinc/13/40/88/1136134088.db2.gz YNQCTJBPGBVRGV-UHFFFAOYSA-N 1 2 346.843 3.905 20 30 EHEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC001202364898 1136134090 /nfs/dbraw/zinc/13/40/90/1136134090.db2.gz YNQCTJBPGBVRGV-UHFFFAOYSA-N 1 2 346.843 3.905 20 30 EHEDLO NC(=[NH+]OCc1cccc(OC(F)F)c1)c1ccc(Cl)cc1 ZINC000747813082 1136241020 /nfs/dbraw/zinc/24/10/20/1136241020.db2.gz CJLQMFAYPVZUDJ-UHFFFAOYSA-N 1 2 326.730 3.779 20 30 EHEDLO Cc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067211 1136283183 /nfs/dbraw/zinc/28/31/83/1136283183.db2.gz XJODBVFAOHQSPJ-CYBMUJFWSA-N 1 2 345.830 3.507 20 30 EHEDLO N#Cc1c(F)cccc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000813336727 1136320474 /nfs/dbraw/zinc/32/04/74/1136320474.db2.gz SFHMRKCOQWSCEJ-FQEVSTJZSA-N 1 2 342.389 3.782 20 30 EHEDLO COc1ccc(Br)c(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000747910682 1136418086 /nfs/dbraw/zinc/41/80/86/1136418086.db2.gz NPWIXCCHGZPUFJ-UHFFFAOYSA-N 1 2 349.203 3.758 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000852333100 1136449986 /nfs/dbraw/zinc/44/99/86/1136449986.db2.gz ZVWUJJASLPFYSD-OAQYLSRUSA-N 1 2 328.419 3.687 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000852333100 1136449987 /nfs/dbraw/zinc/44/99/87/1136449987.db2.gz ZVWUJJASLPFYSD-OAQYLSRUSA-N 1 2 328.419 3.687 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000852411967 1136454732 /nfs/dbraw/zinc/45/47/32/1136454732.db2.gz XENYYPBQGOWFON-HUUCEWRRSA-N 1 2 339.464 3.761 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000852411967 1136454734 /nfs/dbraw/zinc/45/47/34/1136454734.db2.gz XENYYPBQGOWFON-HUUCEWRRSA-N 1 2 339.464 3.761 20 30 EHEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852782148 1136486394 /nfs/dbraw/zinc/48/63/94/1136486394.db2.gz ZHMHYBWBIGEHIV-CYBMUJFWSA-N 1 2 337.379 3.642 20 30 EHEDLO Brc1cncc(N[NH+]=C2CC[C@H]3CNc4cccc2c43)c1 ZINC000814886473 1136520260 /nfs/dbraw/zinc/52/02/60/1136520260.db2.gz CWOCNIXAVWJRMJ-JTQLQIEISA-N 1 2 343.228 3.963 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccoc3C)n(C)c2=S)C1 ZINC000853537152 1136542435 /nfs/dbraw/zinc/54/24/35/1136542435.db2.gz QBMJOWNMPVHFGQ-AWEZNQCLSA-N 1 2 332.473 3.765 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3ccoc3C)n(C)c2=S)C1 ZINC000853537152 1136542438 /nfs/dbraw/zinc/54/24/38/1136542438.db2.gz QBMJOWNMPVHFGQ-AWEZNQCLSA-N 1 2 332.473 3.765 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000853537366 1136542502 /nfs/dbraw/zinc/54/25/02/1136542502.db2.gz WGFKVEDQXNFMGQ-HNNXBMFYSA-N 1 2 348.541 3.964 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000853537366 1136542505 /nfs/dbraw/zinc/54/25/05/1136542505.db2.gz WGFKVEDQXNFMGQ-HNNXBMFYSA-N 1 2 348.541 3.964 20 30 EHEDLO COC(=O)c1ccc(N[NH+]=C2CCCCc3ccc(N)cc32)cc1F ZINC000817330439 1136798866 /nfs/dbraw/zinc/79/88/66/1136798866.db2.gz MLFRRVZFDPHPDY-UHFFFAOYSA-N 1 2 341.386 3.737 20 30 EHEDLO C#CC[N@@H+](CC)Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000859156511 1137005398 /nfs/dbraw/zinc/00/53/98/1137005398.db2.gz QGWXZQQAYTUORD-UHFFFAOYSA-N 1 2 326.293 3.955 20 30 EHEDLO C#CC[N@H+](CC)Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000859156511 1137005400 /nfs/dbraw/zinc/00/54/00/1137005400.db2.gz QGWXZQQAYTUORD-UHFFFAOYSA-N 1 2 326.293 3.955 20 30 EHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccccc2OC2CCCC2)cc1 ZINC001170984224 1137054949 /nfs/dbraw/zinc/05/49/49/1137054949.db2.gz QPFTZGQWSOGCNO-UHFFFAOYSA-N 1 2 338.407 3.832 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@@H](c1ccccc1F)[C@H](C)O ZINC000846013071 1137326107 /nfs/dbraw/zinc/32/61/07/1137326107.db2.gz JMXXGQQPOUACEA-ORAYPTAESA-N 1 2 347.817 3.703 20 30 EHEDLO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866242942 1137338483 /nfs/dbraw/zinc/33/84/83/1137338483.db2.gz PJCGPNRPLDVVSL-GJZGRUSLSA-N 1 2 339.414 3.580 20 30 EHEDLO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866295018 1137343501 /nfs/dbraw/zinc/34/35/01/1137343501.db2.gz QKUFADOKVMDBMX-KBXCAEBGSA-N 1 2 338.407 3.609 20 30 EHEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000847028876 1137383334 /nfs/dbraw/zinc/38/33/34/1137383334.db2.gz IYYMJDVXAXQGHR-CVEARBPZSA-N 1 2 345.512 3.543 20 30 EHEDLO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000847028876 1137383336 /nfs/dbraw/zinc/38/33/36/1137383336.db2.gz IYYMJDVXAXQGHR-CVEARBPZSA-N 1 2 345.512 3.543 20 30 EHEDLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172310902 1137546029 /nfs/dbraw/zinc/54/60/29/1137546029.db2.gz LJQFVDGEXINMPB-HNNXBMFYSA-N 1 2 342.464 3.616 20 30 EHEDLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172310902 1137546031 /nfs/dbraw/zinc/54/60/31/1137546031.db2.gz LJQFVDGEXINMPB-HNNXBMFYSA-N 1 2 342.464 3.616 20 30 EHEDLO COCC[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)c1ccccc1 ZINC000876601454 1137656857 /nfs/dbraw/zinc/65/68/57/1137656857.db2.gz QOYQZEHHRUZXPE-AWEZNQCLSA-N 1 2 329.831 3.816 20 30 EHEDLO COCC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)c1ccccc1 ZINC000876601454 1137656858 /nfs/dbraw/zinc/65/68/58/1137656858.db2.gz QOYQZEHHRUZXPE-AWEZNQCLSA-N 1 2 329.831 3.816 20 30 EHEDLO C[C@H](C#N)C[N@H+](C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876617752 1137657275 /nfs/dbraw/zinc/65/72/75/1137657275.db2.gz UPPQYPUWWAAFOH-CYBMUJFWSA-N 1 2 349.500 3.633 20 30 EHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876617752 1137657276 /nfs/dbraw/zinc/65/72/76/1137657276.db2.gz UPPQYPUWWAAFOH-CYBMUJFWSA-N 1 2 349.500 3.633 20 30 EHEDLO Cc1cnc(C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)s1 ZINC000877478933 1137677765 /nfs/dbraw/zinc/67/77/65/1137677765.db2.gz RAXVYKJMMNYISW-UHFFFAOYSA-N 1 2 332.860 3.751 20 30 EHEDLO CCOC(=O)c1c(C)ccnc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000878001865 1137699056 /nfs/dbraw/zinc/69/90/56/1137699056.db2.gz FWUAGUUXNMAJMD-UHFFFAOYSA-N 1 2 349.434 3.603 20 30 EHEDLO CCOC(=O)c1c(C)ccnc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000878001865 1137699057 /nfs/dbraw/zinc/69/90/57/1137699057.db2.gz FWUAGUUXNMAJMD-UHFFFAOYSA-N 1 2 349.434 3.603 20 30 EHEDLO CC(C)([NH2+]Cc1ncccc1Br)c1cccc(C#N)c1 ZINC000878889136 1137731197 /nfs/dbraw/zinc/73/11/97/1137731197.db2.gz WQHGKTFZUNYMTG-UHFFFAOYSA-N 1 2 330.229 3.741 20 30 EHEDLO C=C1CCC(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000888850566 1137793320 /nfs/dbraw/zinc/79/33/20/1137793320.db2.gz GCDVCGJIQVTVEZ-UHFFFAOYSA-N 1 2 327.472 3.825 20 30 EHEDLO Cc1ccc2c(Nc3c(C#N)cnn3-c3ccccn3)cccc2[nH+]1 ZINC001212795130 1137864377 /nfs/dbraw/zinc/86/43/77/1137864377.db2.gz PTTWOYFMSLWJHC-UHFFFAOYSA-N 1 2 326.363 3.739 20 30 EHEDLO COc1ccc(CC(N)=[NH+]OCc2ccccc2C(C)(C)C#N)cc1 ZINC000134077019 1137937044 /nfs/dbraw/zinc/93/70/44/1137937044.db2.gz AUWWVOHBWYHEHW-UHFFFAOYSA-N 1 2 337.423 3.528 20 30 EHEDLO C=CCC1(O)CC[NH+](Cc2ccc(Cl)nc2C(F)(F)F)CC1 ZINC000886776639 1138138762 /nfs/dbraw/zinc/13/87/62/1138138762.db2.gz LTEGYVFXVHWWDW-UHFFFAOYSA-N 1 2 334.769 3.657 20 30 EHEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCC(F)(F)F ZINC000093090862 1138234075 /nfs/dbraw/zinc/23/40/75/1138234075.db2.gz YURKNHLDYOQPMV-LBPRGKRZSA-N 1 2 330.350 3.760 20 30 EHEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCC(F)(F)F ZINC000093090862 1138234077 /nfs/dbraw/zinc/23/40/77/1138234077.db2.gz YURKNHLDYOQPMV-LBPRGKRZSA-N 1 2 330.350 3.760 20 30 EHEDLO C[C@H]1C[NH+](Cc2ccccc2C#N)C[C@H](C)N1Cc1ccccc1C#N ZINC000337253603 1138509597 /nfs/dbraw/zinc/50/95/97/1138509597.db2.gz SBBSZUIEZOWCOW-ROUUACIJSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@H]1CN(Cc2ccccc2C#N)C[C@H](C)[NH+]1Cc1ccccc1C#N ZINC000337253603 1138509601 /nfs/dbraw/zinc/50/96/01/1138509601.db2.gz SBBSZUIEZOWCOW-ROUUACIJSA-N 1 2 344.462 3.525 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000134103019 1138672623 /nfs/dbraw/zinc/67/26/23/1138672623.db2.gz YOIZXZLLMVSQDK-FZKQIMNGSA-N 1 2 349.413 3.838 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccn12 ZINC000887699203 1138685259 /nfs/dbraw/zinc/68/52/59/1138685259.db2.gz PZNMMTBRDPCRKY-UHFFFAOYSA-N 1 2 344.418 3.534 20 30 EHEDLO C=CC[C@H]1CCCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890243449 1139329363 /nfs/dbraw/zinc/32/93/63/1139329363.db2.gz MEXQALGDMLVQAK-PKOBYXMFSA-N 1 2 338.455 3.622 20 30 EHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000175403872 1139488127 /nfs/dbraw/zinc/48/81/27/1139488127.db2.gz XDAAEBRXHDUPLB-ZLOXQWCVSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000175403872 1139488130 /nfs/dbraw/zinc/48/81/30/1139488130.db2.gz XDAAEBRXHDUPLB-ZLOXQWCVSA-N 1 2 330.428 3.628 20 30 EHEDLO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)c1cccc(O)c1 ZINC000178376878 1139690093 /nfs/dbraw/zinc/69/00/93/1139690093.db2.gz QALFKBYFJAWKRI-AWEZNQCLSA-N 1 2 348.406 3.897 20 30 EHEDLO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)c1cccc(O)c1 ZINC000178376878 1139690096 /nfs/dbraw/zinc/69/00/96/1139690096.db2.gz QALFKBYFJAWKRI-AWEZNQCLSA-N 1 2 348.406 3.897 20 30 EHEDLO C[C@H](c1ccsc1)[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000185479460 1140152187 /nfs/dbraw/zinc/15/21/87/1140152187.db2.gz MZWCRNRMSOWHHB-SNVBAGLBSA-N 1 2 338.889 3.613 20 30 EHEDLO Cc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000186367452 1140200379 /nfs/dbraw/zinc/20/03/79/1140200379.db2.gz ZOUNKYXPJAVDFG-QGZVFWFLSA-N 1 2 348.450 3.777 20 30 EHEDLO CC(C)([NH2+]Cc1cc(C#N)ccc1Br)c1nccs1 ZINC000191812426 1140486499 /nfs/dbraw/zinc/48/64/99/1140486499.db2.gz UMUYRUCVXHKKOL-UHFFFAOYSA-N 1 2 336.258 3.802 20 30 EHEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000271131610 1141312148 /nfs/dbraw/zinc/31/21/48/1141312148.db2.gz ORFTYYLQBJJUFF-HNNXBMFYSA-N 1 2 340.471 3.905 20 30 EHEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000271131610 1141312155 /nfs/dbraw/zinc/31/21/55/1141312155.db2.gz ORFTYYLQBJJUFF-HNNXBMFYSA-N 1 2 340.471 3.905 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]2c2ccccc2)c1C ZINC000348540682 1141548422 /nfs/dbraw/zinc/54/84/22/1141548422.db2.gz IXKABDVFDMKCBY-NRFANRHFSA-N 1 2 347.462 3.997 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]2c2ccccc2)c1C ZINC000348540682 1141548424 /nfs/dbraw/zinc/54/84/24/1141548424.db2.gz IXKABDVFDMKCBY-NRFANRHFSA-N 1 2 347.462 3.997 20 30 EHEDLO C=CCCCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000274569194 1014248454 /nfs/dbraw/zinc/24/84/54/1014248454.db2.gz HBMKZECNZDSJBT-IRXDYDNUSA-N 1 2 345.487 3.774 20 30 EHEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000430141782 1014311821 /nfs/dbraw/zinc/31/18/21/1014311821.db2.gz YTPRQLPBWPVIAP-GFCCVEGCSA-N 1 2 333.794 3.654 20 30 EHEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000430141782 1014311833 /nfs/dbraw/zinc/31/18/33/1014311833.db2.gz YTPRQLPBWPVIAP-GFCCVEGCSA-N 1 2 333.794 3.654 20 30 EHEDLO CC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000339716981 1015591514 /nfs/dbraw/zinc/59/15/14/1015591514.db2.gz LAEZJCCJNWGJHQ-UHFFFAOYSA-N 1 2 349.434 3.610 20 30 EHEDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000339716981 1015591522 /nfs/dbraw/zinc/59/15/22/1015591522.db2.gz LAEZJCCJNWGJHQ-UHFFFAOYSA-N 1 2 349.434 3.610 20 30 EHEDLO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)c2nccn2C)cc1 ZINC000181451981 1016689804 /nfs/dbraw/zinc/68/98/04/1016689804.db2.gz DIZXYDZGHRBGOP-QRWLVFNGSA-N 1 2 346.434 3.741 20 30 EHEDLO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(Cl)c(O)c(OCC)c2)no1 ZINC000904684770 1032179469 /nfs/dbraw/zinc/17/94/69/1032179469.db2.gz WIAJHQQCIWWRPB-GFCCVEGCSA-N 1 2 337.807 3.850 20 30 EHEDLO CC(C)C[C@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)n1cc[nH+]c1 ZINC000602086183 1032631741 /nfs/dbraw/zinc/63/17/41/1032631741.db2.gz QTDMNBTZTXOMEN-LJQANCHMSA-N 1 2 338.455 3.779 20 30 EHEDLO CC[C@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(C#N)cc1 ZINC000340425781 1017742221 /nfs/dbraw/zinc/74/22/21/1017742221.db2.gz UFRYIGFAWNGVMN-ABAIWWIYSA-N 1 2 345.244 3.913 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000083243520 1018569632 /nfs/dbraw/zinc/56/96/32/1018569632.db2.gz IDIAUJOOIOIDEU-KRWDZBQOSA-N 1 2 344.480 3.524 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000083243520 1018569642 /nfs/dbraw/zinc/56/96/42/1018569642.db2.gz IDIAUJOOIOIDEU-KRWDZBQOSA-N 1 2 344.480 3.524 20 30 EHEDLO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(F)cc1F ZINC000537114588 1019571446 /nfs/dbraw/zinc/57/14/46/1019571446.db2.gz ZKMLZXUFHUBKRS-GOSISDBHSA-N 1 2 344.361 3.864 20 30 EHEDLO COCc1cc[nH+]c(NCc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000593223010 1032841445 /nfs/dbraw/zinc/84/14/45/1032841445.db2.gz NORNALSRFBTFNX-UHFFFAOYSA-N 1 2 341.411 3.531 20 30 EHEDLO C#CCC1(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CCCCC1 ZINC000276320671 1021029313 /nfs/dbraw/zinc/02/93/13/1021029313.db2.gz RBPOLRIVSMQGJL-UHFFFAOYSA-N 1 2 328.456 3.639 20 30 EHEDLO C#Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000933365805 1021413786 /nfs/dbraw/zinc/41/37/86/1021413786.db2.gz IWMIFULBXOZFGV-CXAGYDPISA-N 1 2 342.830 3.633 20 30 EHEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2Cl)CC12CCCCC2 ZINC000439461838 1021472423 /nfs/dbraw/zinc/47/24/23/1021472423.db2.gz MMPHWLJYNSSBCO-UHFFFAOYSA-N 1 2 345.874 3.579 20 30 EHEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC12CCCCC2 ZINC000439461838 1021472433 /nfs/dbraw/zinc/47/24/33/1021472433.db2.gz MMPHWLJYNSSBCO-UHFFFAOYSA-N 1 2 345.874 3.579 20 30 EHEDLO CC(=O)N(c1nc(C[NH2+]CCCC#N)cs1)c1cccc(Cl)c1 ZINC000602605298 1033021612 /nfs/dbraw/zinc/02/16/12/1033021612.db2.gz YMQBKOJRXWENIN-UHFFFAOYSA-N 1 2 348.859 3.874 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ncc(Br)s3)n2c1 ZINC000255369123 1022025995 /nfs/dbraw/zinc/02/59/95/1022025995.db2.gz LTZKHGPPJBVYPG-ARJAWSKDSA-N 1 2 348.225 3.758 20 30 EHEDLO C=C(C)CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000045965363 1022249519 /nfs/dbraw/zinc/24/95/19/1022249519.db2.gz VYSPKKNIYVAPTO-UHFFFAOYSA-N 1 2 328.485 3.590 20 30 EHEDLO C=CC[N@H+](Cc1ccc(C#N)cc1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438278452 1022519001 /nfs/dbraw/zinc/51/90/01/1022519001.db2.gz HFHNLWNKBSAKQO-NRFANRHFSA-N 1 2 348.446 3.721 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438278452 1022519004 /nfs/dbraw/zinc/51/90/04/1022519004.db2.gz HFHNLWNKBSAKQO-NRFANRHFSA-N 1 2 348.446 3.721 20 30 EHEDLO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328905757 1022541364 /nfs/dbraw/zinc/54/13/64/1022541364.db2.gz AZVCDKNYTAWRSB-CQSZACIVSA-N 1 2 349.438 3.810 20 30 EHEDLO C[C@H]1C[C@@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC1=O ZINC000328920643 1022545758 /nfs/dbraw/zinc/54/57/58/1022545758.db2.gz LYBYKYHMFAGDNW-STQMWFEESA-N 1 2 335.473 3.722 20 30 EHEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000178314906 1022547514 /nfs/dbraw/zinc/54/75/14/1022547514.db2.gz HYKQKQGJUFLAES-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000178314906 1022547520 /nfs/dbraw/zinc/54/75/20/1022547520.db2.gz HYKQKQGJUFLAES-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052210602 1022685825 /nfs/dbraw/zinc/68/58/25/1022685825.db2.gz VXGCRAHXNLFOHC-AEFFLSMTSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000052210602 1022685830 /nfs/dbraw/zinc/68/58/30/1022685830.db2.gz VXGCRAHXNLFOHC-AEFFLSMTSA-N 1 2 333.863 3.531 20 30 EHEDLO CC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1c(C)nn(C)c1C ZINC000331332475 1022787814 /nfs/dbraw/zinc/78/78/14/1022787814.db2.gz PAZSTLWFFACJBE-OAHLLOKOSA-N 1 2 329.448 3.834 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(CC#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000550252178 1022862381 /nfs/dbraw/zinc/86/23/81/1022862381.db2.gz VJOMFVIJMCCXME-MRXNPFEDSA-N 1 2 326.362 3.684 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000550252178 1022862395 /nfs/dbraw/zinc/86/23/95/1022862395.db2.gz VJOMFVIJMCCXME-MRXNPFEDSA-N 1 2 326.362 3.684 20 30 EHEDLO N#Cc1cccc(C[NH2+]C2(c3ccccc3Br)CCC2)n1 ZINC000602699809 1033087581 /nfs/dbraw/zinc/08/75/81/1033087581.db2.gz OTMMMXUJTQPPOW-UHFFFAOYSA-N 1 2 342.240 3.885 20 30 EHEDLO C[C@@H](c1ccccc1F)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507175839 1023162354 /nfs/dbraw/zinc/16/23/54/1023162354.db2.gz ADVRKBCJQQJCHM-AWEZNQCLSA-N 1 2 327.378 3.720 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000507352574 1023262072 /nfs/dbraw/zinc/26/20/72/1023262072.db2.gz KUNXIUHAKLYRKX-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000507352574 1023262075 /nfs/dbraw/zinc/26/20/75/1023262075.db2.gz KUNXIUHAKLYRKX-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000341998637 1023748678 /nfs/dbraw/zinc/74/86/78/1023748678.db2.gz VEPKGLINPRSXKG-UHFFFAOYSA-N 1 2 345.443 3.701 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OCC)Cc1cccc(C#N)c1 ZINC000063300762 1033169777 /nfs/dbraw/zinc/16/97/77/1033169777.db2.gz XEKGPZYFMRYHMM-UHFFFAOYSA-N 1 2 349.434 3.584 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OCC)Cc1cccc(C#N)c1 ZINC000063300762 1033169784 /nfs/dbraw/zinc/16/97/84/1033169784.db2.gz XEKGPZYFMRYHMM-UHFFFAOYSA-N 1 2 349.434 3.584 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1cccc(C#N)c1 ZINC000063300642 1033171760 /nfs/dbraw/zinc/17/17/60/1033171760.db2.gz WWNMCIKBQSJPOC-UHFFFAOYSA-N 1 2 337.398 3.633 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1cccc(C#N)c1 ZINC000063300642 1033171764 /nfs/dbraw/zinc/17/17/64/1033171764.db2.gz WWNMCIKBQSJPOC-UHFFFAOYSA-N 1 2 337.398 3.633 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(C)CCCOC3)n2)C1 ZINC000329709016 1024108079 /nfs/dbraw/zinc/10/80/79/1024108079.db2.gz MSZMQESJTPDXML-DYVFJYSZSA-N 1 2 337.489 3.780 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(C)CCCOC3)n2)C1 ZINC000329709016 1024108087 /nfs/dbraw/zinc/10/80/87/1024108087.db2.gz MSZMQESJTPDXML-DYVFJYSZSA-N 1 2 337.489 3.780 20 30 EHEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CSc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000329934526 1024256623 /nfs/dbraw/zinc/25/66/23/1024256623.db2.gz CANRPWCOZVOMFE-BMFZPTHFSA-N 1 2 342.468 3.527 20 30 EHEDLO N#Cc1ccc(-c2noc([C@@H]3CCC[C@H](c4ccccc4)[NH2+]3)n2)nc1 ZINC001211884790 1024656037 /nfs/dbraw/zinc/65/60/37/1024656037.db2.gz HURHFYDUECWIFY-WBVHZDCISA-N 1 2 331.379 3.559 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C(=O)OCC ZINC000895701649 1024738383 /nfs/dbraw/zinc/73/83/83/1024738383.db2.gz TYYVACJLHDPPSW-BBWFWOEESA-N 1 2 343.895 3.636 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000114723680 1024754010 /nfs/dbraw/zinc/75/40/10/1024754010.db2.gz PQLWREGFQLLZIZ-OAHLLOKOSA-N 1 2 329.469 3.551 20 30 EHEDLO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1F ZINC000346612911 1024954830 /nfs/dbraw/zinc/95/48/30/1024954830.db2.gz TYUJKXGFRJEDJM-UHFFFAOYSA-N 1 2 325.387 3.546 20 30 EHEDLO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1F ZINC000346612911 1024954838 /nfs/dbraw/zinc/95/48/38/1024954838.db2.gz TYUJKXGFRJEDJM-UHFFFAOYSA-N 1 2 325.387 3.546 20 30 EHEDLO C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000274244707 1025109903 /nfs/dbraw/zinc/10/99/03/1025109903.db2.gz VOLIMRKJLCJLCI-BLLLJJGKSA-N 1 2 334.345 3.861 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1cccs1 ZINC000019540457 1025176617 /nfs/dbraw/zinc/17/66/17/1025176617.db2.gz WLMLECQAKJXGFI-UHFFFAOYSA-N 1 2 330.453 3.774 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1cccs1 ZINC000019540457 1025176621 /nfs/dbraw/zinc/17/66/21/1025176621.db2.gz WLMLECQAKJXGFI-UHFFFAOYSA-N 1 2 330.453 3.774 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(OC(F)F)c1 ZINC000346999144 1025377238 /nfs/dbraw/zinc/37/72/38/1025377238.db2.gz PIWBAXMQPASHIN-MRXNPFEDSA-N 1 2 329.350 3.892 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(OC(F)F)c1 ZINC000346999144 1025377246 /nfs/dbraw/zinc/37/72/46/1025377246.db2.gz PIWBAXMQPASHIN-MRXNPFEDSA-N 1 2 329.350 3.892 20 30 EHEDLO COc1cc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)ccc1C#N ZINC000442807690 1025484093 /nfs/dbraw/zinc/48/40/93/1025484093.db2.gz FWEPNXNGGFYFCD-QFIPXVFZSA-N 1 2 343.430 3.974 20 30 EHEDLO COc1cc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)ccc1C#N ZINC000442807690 1025484102 /nfs/dbraw/zinc/48/41/02/1025484102.db2.gz FWEPNXNGGFYFCD-QFIPXVFZSA-N 1 2 343.430 3.974 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCO[C@@H](C)C3)n2)CC1 ZINC000329275996 1025712712 /nfs/dbraw/zinc/71/27/12/1025712712.db2.gz KYTGYBSMJHUJJA-UONOGXRCSA-N 1 2 337.489 3.778 20 30 EHEDLO C[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCCOC1 ZINC000329277918 1025713162 /nfs/dbraw/zinc/71/31/62/1025713162.db2.gz CRZKJASWENDCOQ-IBGZPJMESA-N 1 2 331.460 3.735 20 30 EHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000451735281 1026271513 /nfs/dbraw/zinc/27/15/13/1026271513.db2.gz NGCXFBXHWPRLCL-HKUYNNGSSA-N 1 2 345.874 3.675 20 30 EHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000451735281 1026271525 /nfs/dbraw/zinc/27/15/25/1026271525.db2.gz NGCXFBXHWPRLCL-HKUYNNGSSA-N 1 2 345.874 3.675 20 30 EHEDLO C=CCCC(C)(C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000666004739 1027010854 /nfs/dbraw/zinc/01/08/54/1027010854.db2.gz GARROIUSAIBOPY-MRXNPFEDSA-N 1 2 345.487 3.946 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000501213156 1027138932 /nfs/dbraw/zinc/13/89/32/1027138932.db2.gz YLOLPBBNCQYTHP-IERDGZPVSA-N 1 2 336.435 3.837 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000501213156 1027138937 /nfs/dbraw/zinc/13/89/37/1027138937.db2.gz YLOLPBBNCQYTHP-IERDGZPVSA-N 1 2 336.435 3.837 20 30 EHEDLO C=CC[C@@H]1[N@@H+](Cc2ccc(S(C)(=O)=O)s2)CCCC1(C)C ZINC000414442693 1027364182 /nfs/dbraw/zinc/36/41/82/1027364182.db2.gz HIBXVZJEOITOKE-AWEZNQCLSA-N 1 2 327.515 3.718 20 30 EHEDLO C=CC[C@@H]1[N@H+](Cc2ccc(S(C)(=O)=O)s2)CCCC1(C)C ZINC000414442693 1027364206 /nfs/dbraw/zinc/36/42/06/1027364206.db2.gz HIBXVZJEOITOKE-AWEZNQCLSA-N 1 2 327.515 3.718 20 30 EHEDLO C=CC[N@@H+](CC(=O)c1cc(C)n(CC)c1C)Cc1cccc(C#N)c1 ZINC000487487561 1027506758 /nfs/dbraw/zinc/50/67/58/1027506758.db2.gz HZYSAMGDWZBFCU-UHFFFAOYSA-N 1 2 335.451 3.867 20 30 EHEDLO C=CC[N@H+](CC(=O)c1cc(C)n(CC)c1C)Cc1cccc(C#N)c1 ZINC000487487561 1027506767 /nfs/dbraw/zinc/50/67/67/1027506767.db2.gz HZYSAMGDWZBFCU-UHFFFAOYSA-N 1 2 335.451 3.867 20 30 EHEDLO N#Cc1ccc(OCCCO[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000303442984 1027561732 /nfs/dbraw/zinc/56/17/32/1027561732.db2.gz GENILIQFTOUVRG-UHFFFAOYSA-N 1 2 343.814 3.512 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000026326568 1027710061 /nfs/dbraw/zinc/71/00/61/1027710061.db2.gz SFMNYAOYAMESOF-NRFANRHFSA-N 1 2 347.462 3.744 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000026326568 1027710080 /nfs/dbraw/zinc/71/00/80/1027710080.db2.gz SFMNYAOYAMESOF-NRFANRHFSA-N 1 2 347.462 3.744 20 30 EHEDLO Cc1cc(CNC(=O)N[C@@H](CCCC#N)c2ccccc2)cc(C)[nH+]1 ZINC000420850893 1027794000 /nfs/dbraw/zinc/79/40/00/1027794000.db2.gz QDYILPGRRWLYDQ-IBGZPJMESA-N 1 2 336.439 3.933 20 30 EHEDLO C=CC(C)(C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000454282147 1028316276 /nfs/dbraw/zinc/31/62/76/1028316276.db2.gz UPHJQEUNPGRTJY-ZDUSSCGKSA-N 1 2 336.505 3.709 20 30 EHEDLO C=CC(C)(C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000454282147 1028316292 /nfs/dbraw/zinc/31/62/92/1028316292.db2.gz UPHJQEUNPGRTJY-ZDUSSCGKSA-N 1 2 336.505 3.709 20 30 EHEDLO C=CCN(CCc1ccccc1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000523418841 1028318896 /nfs/dbraw/zinc/31/88/96/1028318896.db2.gz GTCBLTGMIYXNOY-UHFFFAOYSA-N 1 2 334.423 3.905 20 30 EHEDLO C=CC[C@@H]1N(C(=O)NCCCNc2cccc[nH+]2)CCCC1(C)C ZINC000444844748 1028342999 /nfs/dbraw/zinc/34/29/99/1028342999.db2.gz DRGBTNMOUPEYNX-INIZCTEOSA-N 1 2 330.476 3.660 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000058887828 1028393410 /nfs/dbraw/zinc/39/34/10/1028393410.db2.gz ZCBYXBFAAPKOEE-INIZCTEOSA-N 1 2 341.480 3.634 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000058887828 1028393428 /nfs/dbraw/zinc/39/34/28/1028393428.db2.gz ZCBYXBFAAPKOEE-INIZCTEOSA-N 1 2 341.480 3.634 20 30 EHEDLO CC(C)CC[N@H+](CCC#N)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000072691694 1028513237 /nfs/dbraw/zinc/51/32/37/1028513237.db2.gz JHEKLHMSAZLCDJ-UHFFFAOYSA-N 1 2 329.488 3.834 20 30 EHEDLO CC(C)CC[N@@H+](CCC#N)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000072691694 1028513257 /nfs/dbraw/zinc/51/32/57/1028513257.db2.gz JHEKLHMSAZLCDJ-UHFFFAOYSA-N 1 2 329.488 3.834 20 30 EHEDLO C=CCOc1ccc(CN2CCc3c([nH+]cn3CC)C2)cc1Cl ZINC000897336445 1028544692 /nfs/dbraw/zinc/54/46/92/1028544692.db2.gz FLIRIZMAZSBBSB-UHFFFAOYSA-N 1 2 331.847 3.680 20 30 EHEDLO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(C)(C#N)CC1 ZINC000272560103 1029512504 /nfs/dbraw/zinc/51/25/04/1029512504.db2.gz LPIKNXBDAAFKAN-LSDHHAIUSA-N 1 2 339.439 3.624 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272615319 1029534612 /nfs/dbraw/zinc/53/46/12/1029534612.db2.gz TWLNVCZIBHDTTR-ZDUSSCGKSA-N 1 2 349.862 3.610 20 30 EHEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052248101 1029599054 /nfs/dbraw/zinc/59/90/54/1029599054.db2.gz MKTTYFZHHFZRRH-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052248101 1029599061 /nfs/dbraw/zinc/59/90/61/1029599061.db2.gz MKTTYFZHHFZRRH-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO C=CCOCCCC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000079580111 1029664982 /nfs/dbraw/zinc/66/49/82/1029664982.db2.gz TZNBGTAJHWQWID-UHFFFAOYSA-N 1 2 339.439 3.808 20 30 EHEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC1(C#N)CC1)CC2 ZINC000343244669 1029878699 /nfs/dbraw/zinc/87/86/99/1029878699.db2.gz DNRNHUFYVKOTFQ-OAQYLSRUSA-N 1 2 348.446 3.955 20 30 EHEDLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC1(C#N)CC1)CC2 ZINC000343244669 1029878706 /nfs/dbraw/zinc/87/87/06/1029878706.db2.gz DNRNHUFYVKOTFQ-OAQYLSRUSA-N 1 2 348.446 3.955 20 30 EHEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168334307 1029905129 /nfs/dbraw/zinc/90/51/29/1029905129.db2.gz PTHHXEIUQYHFNI-BCLQGDPASA-N 1 2 341.904 3.817 20 30 EHEDLO CC[N@H+](Cc1nccn1CC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000171379104 1030353410 /nfs/dbraw/zinc/35/34/10/1030353410.db2.gz FHHHSITZWWXRAA-ZDUSSCGKSA-N 1 2 336.361 3.900 20 30 EHEDLO CC[N@@H+](Cc1nccn1CC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000171379104 1030353424 /nfs/dbraw/zinc/35/34/24/1030353424.db2.gz FHHHSITZWWXRAA-ZDUSSCGKSA-N 1 2 336.361 3.900 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCc2cccnc21 ZINC000329402213 1030638489 /nfs/dbraw/zinc/63/84/89/1030638489.db2.gz WKELFULRSSSVGS-QGZVFWFLSA-N 1 2 336.439 3.653 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CCO2)c1 ZINC000483249741 1031062175 /nfs/dbraw/zinc/06/21/75/1031062175.db2.gz KFTPNYNQLBYFSH-JOCHJYFZSA-N 1 2 348.446 3.921 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CCO2)c1 ZINC000483249741 1031062191 /nfs/dbraw/zinc/06/21/91/1031062191.db2.gz KFTPNYNQLBYFSH-JOCHJYFZSA-N 1 2 348.446 3.921 20 30 EHEDLO C=CCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449915768 1033422327 /nfs/dbraw/zinc/42/23/27/1033422327.db2.gz PJTZPWDBYFQTIN-UHFFFAOYSA-N 1 2 342.399 3.599 20 30 EHEDLO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)c(Br)cc1F ZINC000599542555 1034000562 /nfs/dbraw/zinc/00/05/62/1034000562.db2.gz WAZOFQZZDIGWCT-VHSXEESVSA-N 1 2 342.187 3.821 20 30 EHEDLO Cc1c(NCC(C)(C)CCC#N)nc[nH+]c1NCC(C)(C)CCC#N ZINC000596244470 1034133040 /nfs/dbraw/zinc/13/30/40/1034133040.db2.gz PWZVNFOJNYWTHD-UHFFFAOYSA-N 1 2 342.491 3.691 20 30 EHEDLO O=C1/C(=C\c2cccc3nccn32)CC/C1=C/c1cccc2[nH+]ccn21 ZINC000255682730 1034156068 /nfs/dbraw/zinc/15/60/68/1034156068.db2.gz KVNXOPBGMJSNDP-VMNXYWKNSA-N 1 2 340.386 3.812 20 30 EHEDLO N#CC1(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCCCC1 ZINC000596581586 1034303214 /nfs/dbraw/zinc/30/32/14/1034303214.db2.gz GQBJQQJIWGGDPO-UHFFFAOYSA-N 1 2 333.395 3.939 20 30 EHEDLO C[C@@]1(C#N)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000596875053 1034442314 /nfs/dbraw/zinc/44/23/14/1034442314.db2.gz BSDHXLCFNYVGFC-FQEVSTJZSA-N 1 2 349.438 3.654 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450529522 1034485705 /nfs/dbraw/zinc/48/57/05/1034485705.db2.gz VBFFZTNPMYJTMJ-HOCLYGCPSA-N 1 2 340.389 3.568 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000450529522 1034485708 /nfs/dbraw/zinc/48/57/08/1034485708.db2.gz VBFFZTNPMYJTMJ-HOCLYGCPSA-N 1 2 340.389 3.568 20 30 EHEDLO CC1=CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000534480008 1034584847 /nfs/dbraw/zinc/58/48/47/1034584847.db2.gz KODXKKFNLHIABC-CQSZACIVSA-N 1 2 343.496 3.868 20 30 EHEDLO CC1=CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000534480008 1034584861 /nfs/dbraw/zinc/58/48/61/1034584861.db2.gz KODXKKFNLHIABC-CQSZACIVSA-N 1 2 343.496 3.868 20 30 EHEDLO CCOc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000180322162 1036652747 /nfs/dbraw/zinc/65/27/47/1036652747.db2.gz DDYHVRPHTOGDFS-BQYQJAHWSA-N 1 2 337.335 3.537 20 30 EHEDLO N#CCn1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc2ccccc21 ZINC000609161706 1036727665 /nfs/dbraw/zinc/72/76/65/1036727665.db2.gz YPVSOZTUDAGOCJ-UHFFFAOYSA-N 1 2 341.374 3.603 20 30 EHEDLO COc1cc2c(cc1C[N@H+](C)Cc1cc(C#N)ccc1F)O[C@H](C)C2 ZINC000532501581 1037526696 /nfs/dbraw/zinc/52/66/96/1037526696.db2.gz DHTSJYVRRSUFNW-CYBMUJFWSA-N 1 2 340.398 3.661 20 30 EHEDLO COc1cc2c(cc1C[N@@H+](C)Cc1cc(C#N)ccc1F)O[C@H](C)C2 ZINC000532501581 1037526708 /nfs/dbraw/zinc/52/67/08/1037526708.db2.gz DHTSJYVRRSUFNW-CYBMUJFWSA-N 1 2 340.398 3.661 20 30 EHEDLO CC(C)(C)c1cnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000046086417 1037735628 /nfs/dbraw/zinc/73/56/28/1037735628.db2.gz JKITYFSHNAXGRU-UHFFFAOYSA-N 1 2 338.455 3.556 20 30 EHEDLO CC(C)(C)c1cnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000046086417 1037735648 /nfs/dbraw/zinc/73/56/48/1037735648.db2.gz JKITYFSHNAXGRU-UHFFFAOYSA-N 1 2 338.455 3.556 20 30 EHEDLO Cc1ccccc1C1([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000592139904 1037857943 /nfs/dbraw/zinc/85/79/43/1037857943.db2.gz PEYWBZPDCWMBBZ-UHFFFAOYSA-N 1 2 330.391 3.696 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000668822779 1038878121 /nfs/dbraw/zinc/87/81/21/1038878121.db2.gz CHJNSNJITCZVMO-ACJLOTCBSA-N 1 2 341.398 3.505 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000668822779 1038878143 /nfs/dbraw/zinc/87/81/43/1038878143.db2.gz CHJNSNJITCZVMO-ACJLOTCBSA-N 1 2 341.398 3.505 20 30 EHEDLO C=C[C@H]1CCCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000488310469 1039074184 /nfs/dbraw/zinc/07/41/84/1039074184.db2.gz GMAGQKYYZHMMIU-APWZRJJASA-N 1 2 343.471 3.652 20 30 EHEDLO C=C(C)C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccc(CO)o1 ZINC000512479059 1039400334 /nfs/dbraw/zinc/40/03/34/1039400334.db2.gz FPXBGEZIAVRLMW-UHFFFAOYSA-N 1 2 329.827 3.855 20 30 EHEDLO C=C(C)C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccc(CO)o1 ZINC000512479059 1039400348 /nfs/dbraw/zinc/40/03/48/1039400348.db2.gz FPXBGEZIAVRLMW-UHFFFAOYSA-N 1 2 329.827 3.855 20 30 EHEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000417356097 1039716424 /nfs/dbraw/zinc/71/64/24/1039716424.db2.gz BLDZHVWABCKVPD-XHDPSFHLSA-N 1 2 341.436 3.530 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000489399061 1039938146 /nfs/dbraw/zinc/93/81/46/1039938146.db2.gz IHAJJZMXWQLERS-HZPDHXFCSA-N 1 2 343.496 3.917 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000489399061 1039938152 /nfs/dbraw/zinc/93/81/52/1039938152.db2.gz IHAJJZMXWQLERS-HZPDHXFCSA-N 1 2 343.496 3.917 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000489434180 1039973479 /nfs/dbraw/zinc/97/34/79/1039973479.db2.gz IBFPHUYONYCOIU-LBPRGKRZSA-N 1 2 328.485 3.693 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000489434180 1039973493 /nfs/dbraw/zinc/97/34/93/1039973493.db2.gz IBFPHUYONYCOIU-LBPRGKRZSA-N 1 2 328.485 3.693 20 30 EHEDLO N#Cc1cnc2c(Cl)cccc2c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000573481117 1040122978 /nfs/dbraw/zinc/12/29/78/1040122978.db2.gz IBNJMWTZQMBGJS-UHFFFAOYSA-N 1 2 337.814 3.867 20 30 EHEDLO N#CCCCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816387 1040185408 /nfs/dbraw/zinc/18/54/08/1040185408.db2.gz TXPGWRVKXVRVHU-INIZCTEOSA-N 1 2 342.487 3.905 20 30 EHEDLO N#CCCCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816387 1040185416 /nfs/dbraw/zinc/18/54/16/1040185416.db2.gz TXPGWRVKXVRVHU-INIZCTEOSA-N 1 2 342.487 3.905 20 30 EHEDLO N#CCCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808914 1040198558 /nfs/dbraw/zinc/19/85/58/1040198558.db2.gz HSDOZYZNDFZJOT-HNNXBMFYSA-N 1 2 328.460 3.515 20 30 EHEDLO N#CCCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808914 1040198568 /nfs/dbraw/zinc/19/85/68/1040198568.db2.gz HSDOZYZNDFZJOT-HNNXBMFYSA-N 1 2 328.460 3.515 20 30 EHEDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160436 1040313652 /nfs/dbraw/zinc/31/36/52/1040313652.db2.gz WYWRBVGTSPRBTM-UHFFFAOYSA-N 1 2 341.499 3.568 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000614167546 1040337448 /nfs/dbraw/zinc/33/74/48/1040337448.db2.gz XBADYSSALPJZQW-UHFFFAOYSA-N 1 2 334.419 3.790 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000614167546 1040337460 /nfs/dbraw/zinc/33/74/60/1040337460.db2.gz XBADYSSALPJZQW-UHFFFAOYSA-N 1 2 334.419 3.790 20 30 EHEDLO N#CC1(C[NH2+]Cc2cccc(Br)c2OC(F)F)CCC1 ZINC000418137764 1040645396 /nfs/dbraw/zinc/64/53/96/1040645396.db2.gz FGCOUCJALGHJOJ-UHFFFAOYSA-N 1 2 345.187 3.834 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](CC)CCC#N)o2)cc1 ZINC000614231437 1040771305 /nfs/dbraw/zinc/77/13/05/1040771305.db2.gz CUXFVRYMGKGYJT-UHFFFAOYSA-N 1 2 326.396 3.859 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](CC)CCC#N)o2)cc1 ZINC000614231437 1040771323 /nfs/dbraw/zinc/77/13/23/1040771323.db2.gz CUXFVRYMGKGYJT-UHFFFAOYSA-N 1 2 326.396 3.859 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000555708843 1041033493 /nfs/dbraw/zinc/03/34/93/1041033493.db2.gz UHXYDZXQBHKDLG-UHFFFAOYSA-N 1 2 327.815 3.707 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H](CC)C2)c1=S ZINC000126234029 1041297682 /nfs/dbraw/zinc/29/76/82/1041297682.db2.gz GMNSNFCSVNGWTE-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H](CC)C2)c1=S ZINC000126234029 1041297694 /nfs/dbraw/zinc/29/76/94/1041297694.db2.gz GMNSNFCSVNGWTE-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO CC(C)C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)n1cc[nH+]c1 ZINC000602074090 1042660891 /nfs/dbraw/zinc/66/08/91/1042660891.db2.gz LBOFASLPQMEXEJ-GOSISDBHSA-N 1 2 340.427 3.792 20 30 EHEDLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1ccc(F)c(C#N)c1Cl ZINC000432416097 1043136479 /nfs/dbraw/zinc/13/64/79/1043136479.db2.gz FPKIUFUTVICMCA-UHFFFAOYSA-N 1 2 349.196 3.925 20 30 EHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001299258321 1127159291 /nfs/dbraw/zinc/15/92/91/1127159291.db2.gz FLLLRGUOAYTXGE-LJQANCHMSA-N 1 2 331.419 3.790 20 30 EHEDLO C(=[NH+]NCc1cnc2ccccc2c1)c1ccc(N2CCCCC2)o1 ZINC000764779095 1127533144 /nfs/dbraw/zinc/53/31/44/1127533144.db2.gz OABBJXHNZXPMSG-UHFFFAOYSA-N 1 2 334.423 3.942 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC001670944475 1128374128 /nfs/dbraw/zinc/37/41/28/1128374128.db2.gz OQGJPCQCKXNHOI-MRXNPFEDSA-N 1 2 349.544 3.883 20 30 EHEDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000056222465 1128548060 /nfs/dbraw/zinc/54/80/60/1128548060.db2.gz SOSDLPSVNURAGV-MRXNPFEDSA-N 1 2 344.418 3.967 20 30 EHEDLO N#Cc1ccc(NCCc2cn3ccccc3[nH+]2)c(C(F)(F)F)c1 ZINC000301186141 1128577537 /nfs/dbraw/zinc/57/75/37/1128577537.db2.gz SFZBSBCVMYWKJZ-UHFFFAOYSA-N 1 2 330.313 3.879 20 30 EHEDLO C=CCc1cc(C)c[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC001168669117 1128757583 /nfs/dbraw/zinc/75/75/83/1128757583.db2.gz APOFNHUDRNLWFS-UHFFFAOYSA-N 1 2 328.412 3.756 20 30 EHEDLO Cc1cc(C)cc(OCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761765073 1120896986 /nfs/dbraw/zinc/89/69/86/1120896986.db2.gz ICNMPDLZJZUZNJ-NRFANRHFSA-N 1 2 336.435 3.627 20 30 EHEDLO Cc1cc(C)cc(OCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761765073 1120896990 /nfs/dbraw/zinc/89/69/90/1120896990.db2.gz ICNMPDLZJZUZNJ-NRFANRHFSA-N 1 2 336.435 3.627 20 30 EHEDLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1cccc(C#N)c1 ZINC000272227915 1121095933 /nfs/dbraw/zinc/09/59/33/1121095933.db2.gz HDEKOBDGUJVGAL-BZUAXINKSA-N 1 2 336.439 3.740 20 30 EHEDLO C[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1cccc(C#N)c1 ZINC000026326373 1121653685 /nfs/dbraw/zinc/65/36/85/1121653685.db2.gz HKMVABOEDHWQEC-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1cccc(C#N)c1 ZINC000026326373 1121653688 /nfs/dbraw/zinc/65/36/88/1121653688.db2.gz HKMVABOEDHWQEC-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO Cc1ccccc1NC(=S)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917026299 1122443842 /nfs/dbraw/zinc/44/38/42/1122443842.db2.gz YKXDQZVNSPXSRC-UHFFFAOYSA-N 1 2 335.436 3.501 20 30 EHEDLO C=C(Br)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000919647989 1123104182 /nfs/dbraw/zinc/10/41/82/1123104182.db2.gz XQLQGZGLCVCPGG-UHFFFAOYSA-N 1 2 349.066 3.668 20 30 EHEDLO C=C(Br)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000919647989 1123104184 /nfs/dbraw/zinc/10/41/84/1123104184.db2.gz XQLQGZGLCVCPGG-UHFFFAOYSA-N 1 2 349.066 3.668 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174958587 1123565253 /nfs/dbraw/zinc/56/52/53/1123565253.db2.gz LOLBUBXVOJSLRY-JKSUJKDBSA-N 1 2 342.512 3.879 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000174958587 1123565255 /nfs/dbraw/zinc/56/52/55/1123565255.db2.gz LOLBUBXVOJSLRY-JKSUJKDBSA-N 1 2 342.512 3.879 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)cc1C ZINC000175135767 1123605872 /nfs/dbraw/zinc/60/58/72/1123605872.db2.gz VWZQOLZLDAZOHW-KRWDZBQOSA-N 1 2 339.439 3.836 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccco2)cc1C ZINC000175135767 1123605876 /nfs/dbraw/zinc/60/58/76/1123605876.db2.gz VWZQOLZLDAZOHW-KRWDZBQOSA-N 1 2 339.439 3.836 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2NCc1ccccc1-n1cc[nH+]c1 ZINC000615496165 1123810519 /nfs/dbraw/zinc/81/05/19/1123810519.db2.gz HUILRYREVFRRMB-UHFFFAOYSA-N 1 2 339.402 3.635 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000616135081 1123948446 /nfs/dbraw/zinc/94/84/46/1123948446.db2.gz KLIYVTXYXQMTMD-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000616135081 1123948448 /nfs/dbraw/zinc/94/84/48/1123948448.db2.gz KLIYVTXYXQMTMD-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000618311005 1125044221 /nfs/dbraw/zinc/04/42/21/1125044221.db2.gz KEMYCBJHGSTOCE-CQSZACIVSA-N 1 2 348.372 3.827 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000618311005 1125044227 /nfs/dbraw/zinc/04/42/27/1125044227.db2.gz KEMYCBJHGSTOCE-CQSZACIVSA-N 1 2 348.372 3.827 20 30 EHEDLO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000619784747 1125404203 /nfs/dbraw/zinc/40/42/03/1125404203.db2.gz OGCQQTGBBHBBOJ-IBGZPJMESA-N 1 2 343.833 3.862 20 30 EHEDLO COc1cccc(C[N@H+](C)Cc2ccc(Br)cc2C#N)c1 ZINC000314786435 1129281850 /nfs/dbraw/zinc/28/18/50/1129281850.db2.gz DAFHVBUBYMFTIG-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1cccc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)c1 ZINC000314786435 1129281853 /nfs/dbraw/zinc/28/18/53/1129281853.db2.gz DAFHVBUBYMFTIG-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117627702 1129455853 /nfs/dbraw/zinc/45/58/53/1129455853.db2.gz PRWIKFDFWZPNPU-UHFFFAOYSA-N 1 2 346.390 3.783 20 30 EHEDLO CC(C)c1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)s1 ZINC000091918046 1129527745 /nfs/dbraw/zinc/52/77/45/1129527745.db2.gz YTMLFVMOIJFFRL-UHFFFAOYSA-N 1 2 344.459 3.599 20 30 EHEDLO N#CCCCOc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000922526604 1129562626 /nfs/dbraw/zinc/56/26/26/1129562626.db2.gz SBPNGASFSXMEOE-QUCCMNQESA-N 1 2 340.398 3.931 20 30 EHEDLO CCc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000172395718 1130129750 /nfs/dbraw/zinc/12/97/50/1130129750.db2.gz PGHLWXFCRLUVNQ-KRWDZBQOSA-N 1 2 347.462 3.640 20 30 EHEDLO CCN(CC)c1ncc(C=[NH+]Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000727973240 1130615970 /nfs/dbraw/zinc/61/59/70/1130615970.db2.gz VYEUNNUJOZGSJS-UHFFFAOYSA-N 1 2 333.417 3.652 20 30 EHEDLO Brc1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000730147540 1130679457 /nfs/dbraw/zinc/67/94/57/1130679457.db2.gz QDPLJEPMBTYEAZ-UHFFFAOYSA-N 1 2 326.197 3.865 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000732060015 1130882230 /nfs/dbraw/zinc/88/22/30/1130882230.db2.gz ZRMJCSZCOVBYLE-IBGZPJMESA-N 1 2 338.382 3.654 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000732060015 1130882233 /nfs/dbraw/zinc/88/22/33/1130882233.db2.gz ZRMJCSZCOVBYLE-IBGZPJMESA-N 1 2 338.382 3.654 20 30 EHEDLO C#Cc1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282559677 1131094054 /nfs/dbraw/zinc/09/40/54/1131094054.db2.gz SMYLVZKYERIJLI-KRWDZBQOSA-N 1 2 348.450 3.612 20 30 EHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3nc4ccccc4[nH]3)CC2)cc1 ZINC000741454265 1131607588 /nfs/dbraw/zinc/60/75/88/1131607588.db2.gz YYGNCTWIVYJNQW-UHFFFAOYSA-N 1 2 348.454 3.697 20 30 EHEDLO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000741793826 1131649530 /nfs/dbraw/zinc/64/95/30/1131649530.db2.gz ACZVWPADXAPYII-ILXRZTDVSA-N 1 2 341.480 3.983 20 30 EHEDLO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000741793826 1131649532 /nfs/dbraw/zinc/64/95/32/1131649532.db2.gz ACZVWPADXAPYII-ILXRZTDVSA-N 1 2 341.480 3.983 20 30 EHEDLO CCCCC[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000742482216 1131735816 /nfs/dbraw/zinc/73/58/16/1131735816.db2.gz FWVYKSYYNMJVLU-GOSISDBHSA-N 1 2 341.499 3.809 20 30 EHEDLO CCCCCCCC[C@H](CC)[NH2+][C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001172504149 1131762505 /nfs/dbraw/zinc/76/25/05/1131762505.db2.gz VNZHYLNKRRVBRR-HOTGVXAUSA-N 1 2 342.524 3.691 20 30 EHEDLO N#Cc1cc(Cl)cc(Cl)c1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212669438 1131772485 /nfs/dbraw/zinc/77/24/85/1131772485.db2.gz XMHAIDKIKDJUFG-UHFFFAOYSA-N 1 2 348.233 3.785 20 30 EHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172649969 1131799657 /nfs/dbraw/zinc/79/96/57/1131799657.db2.gz YTWUFMANGGOJQO-SFHVURJKSA-N 1 2 345.483 3.653 20 30 EHEDLO C=C1CC=C(F)C=C1[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172810938 1131848677 /nfs/dbraw/zinc/84/86/77/1131848677.db2.gz VAUDVJCJPVCCRF-MQVJKMGUSA-N 1 2 332.419 3.980 20 30 EHEDLO C#CC[C@H]([NH2+][C@H](C)CC(c1ccccc1)c1ccccc1)C(=O)OC ZINC001173211078 1132013703 /nfs/dbraw/zinc/01/37/03/1132013703.db2.gz PBPPAKVGLRCDHH-UTKZUKDTSA-N 1 2 335.447 3.752 20 30 EHEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000744123120 1132025503 /nfs/dbraw/zinc/02/55/03/1132025503.db2.gz DNYYOUSZWCGAHP-HNNXBMFYSA-N 1 2 334.345 3.654 20 30 EHEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)n2)cc1 ZINC000744123120 1132025508 /nfs/dbraw/zinc/02/55/08/1132025508.db2.gz DNYYOUSZWCGAHP-HNNXBMFYSA-N 1 2 334.345 3.654 20 30 EHEDLO CC[N@H+](C)[C@H](C(=O)OCc1cn2ccccc2c1C#N)c1ccccc1 ZINC000745102108 1132194008 /nfs/dbraw/zinc/19/40/08/1132194008.db2.gz UHXFDQMCDVXQBL-FQEVSTJZSA-N 1 2 347.418 3.547 20 30 EHEDLO CC[N@@H+](C)[C@H](C(=O)OCc1cn2ccccc2c1C#N)c1ccccc1 ZINC000745102108 1132194010 /nfs/dbraw/zinc/19/40/10/1132194010.db2.gz UHXFDQMCDVXQBL-FQEVSTJZSA-N 1 2 347.418 3.547 20 30 EHEDLO C=C(Br)C[N@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001175267727 1132623778 /nfs/dbraw/zinc/62/37/78/1132623778.db2.gz JXOJUACYVYUZMT-CYBMUJFWSA-N 1 2 347.297 3.664 20 30 EHEDLO C=C(Br)C[N@@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001175267727 1132623783 /nfs/dbraw/zinc/62/37/83/1132623783.db2.gz JXOJUACYVYUZMT-CYBMUJFWSA-N 1 2 347.297 3.664 20 30 EHEDLO CN(C)c1ccc(Nc2nc(-c3ccc(C#N)s3)cs2)c[nH+]1 ZINC001175341176 1132626436 /nfs/dbraw/zinc/62/64/36/1132626436.db2.gz CYOYNNMCUVNUHP-UHFFFAOYSA-N 1 2 327.438 3.948 20 30 EHEDLO N#Cc1sc(NCc2ccccc2Cn2cc[nH+]c2)nc1Cl ZINC000804337962 1132838025 /nfs/dbraw/zinc/83/80/25/1132838025.db2.gz QSQJPLBFTKEZSX-UHFFFAOYSA-N 1 2 329.816 3.525 20 30 EHEDLO Cc1ccc(-n2ncc(C#N)c2Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176742874 1132991205 /nfs/dbraw/zinc/99/12/05/1132991205.db2.gz ABJLPZSNMRXPGV-UHFFFAOYSA-N 1 2 344.422 3.791 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)c1 ZINC000768916246 1133202993 /nfs/dbraw/zinc/20/29/93/1133202993.db2.gz WWLKXBDTEHVNLZ-UHFFFAOYSA-N 1 2 330.790 3.531 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)c1 ZINC000768916246 1133202996 /nfs/dbraw/zinc/20/29/96/1133202996.db2.gz WWLKXBDTEHVNLZ-UHFFFAOYSA-N 1 2 330.790 3.531 20 30 EHEDLO C[C@@H](CC#N)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001179479890 1133253832 /nfs/dbraw/zinc/25/38/32/1133253832.db2.gz XFJMCODUMPVRFH-LBPRGKRZSA-N 1 2 329.331 3.918 20 30 EHEDLO N#CCC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC000770713521 1133464882 /nfs/dbraw/zinc/46/48/82/1133464882.db2.gz YKCOCOLOTSVBNJ-SFHVURJKSA-N 1 2 346.377 3.737 20 30 EHEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC000770713521 1133464884 /nfs/dbraw/zinc/46/48/84/1133464884.db2.gz YKCOCOLOTSVBNJ-SFHVURJKSA-N 1 2 346.377 3.737 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3/SC(=Nc4ccccc4C)NC3=O)n2c1 ZINC000771844019 1133599035 /nfs/dbraw/zinc/59/90/35/1133599035.db2.gz DSHXWEXFKHIYMU-CXUHLZMHSA-N 1 2 348.431 3.843 20 30 EHEDLO Cc1c(Cl)cccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC001182864315 1133741164 /nfs/dbraw/zinc/74/11/64/1133741164.db2.gz FOSZHWACNQCLKT-UHFFFAOYSA-N 1 2 331.872 3.904 20 30 EHEDLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829632 1133862722 /nfs/dbraw/zinc/86/27/22/1133862722.db2.gz PXIFZEQXXSIGJP-FUHIMQAGSA-N 1 2 339.483 3.702 20 30 EHEDLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829632 1133862731 /nfs/dbraw/zinc/86/27/31/1133862731.db2.gz PXIFZEQXXSIGJP-FUHIMQAGSA-N 1 2 339.483 3.702 20 30 EHEDLO CC(=[NH+]Nc1ccc2c(cc[nH]c2=O)c1)c1ccc(F)cc1N(C)C ZINC000789071325 1134217011 /nfs/dbraw/zinc/21/70/11/1134217011.db2.gz UANPOANCZDXVHI-UHFFFAOYSA-N 1 2 338.386 3.569 20 30 EHEDLO C=C(C)[C@@H](CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C)OCC ZINC000791432958 1134549387 /nfs/dbraw/zinc/54/93/87/1134549387.db2.gz YPLVTAYDDKTBOB-GOSISDBHSA-N 1 2 328.412 3.595 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)cc2)CC1 ZINC001195891578 1135481763 /nfs/dbraw/zinc/48/17/63/1135481763.db2.gz QGERCQHPVNKVSZ-UHFFFAOYSA-N 1 2 345.446 3.779 20 30 EHEDLO C=C[C@](C)(CC)c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180700 1135576855 /nfs/dbraw/zinc/57/68/55/1135576855.db2.gz FZFISZWONKQICE-YLJYHZDGSA-N 1 2 341.455 3.805 20 30 EHEDLO C=C[C@](C)(CC)c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180700 1135576859 /nfs/dbraw/zinc/57/68/59/1135576859.db2.gz FZFISZWONKQICE-YLJYHZDGSA-N 1 2 341.455 3.805 20 30 EHEDLO C[C@H](c1c(F)cccc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001197031182 1135643189 /nfs/dbraw/zinc/64/31/89/1135643189.db2.gz ILNHZIHDMXQQRL-CQSZACIVSA-N 1 2 327.378 3.720 20 30 EHEDLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000776154251 1136006090 /nfs/dbraw/zinc/00/60/90/1136006090.db2.gz REGLPNSFNBLHMH-JXFKEZNVSA-N 1 2 346.434 3.763 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000813330818 1136318348 /nfs/dbraw/zinc/31/83/48/1136318348.db2.gz BLLOJNPFRYFTLR-MRXNPFEDSA-N 1 2 346.434 4.000 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000813330818 1136318351 /nfs/dbraw/zinc/31/83/51/1136318351.db2.gz BLLOJNPFRYFTLR-MRXNPFEDSA-N 1 2 346.434 4.000 20 30 EHEDLO C#CC[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000852207049 1136440090 /nfs/dbraw/zinc/44/00/90/1136440090.db2.gz XXRIIYDKRRBEHC-LLVKDONJSA-N 1 2 327.653 3.733 20 30 EHEDLO C#CC[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000852207049 1136440092 /nfs/dbraw/zinc/44/00/92/1136440092.db2.gz XXRIIYDKRRBEHC-LLVKDONJSA-N 1 2 327.653 3.733 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)C1 ZINC000853523062 1136540028 /nfs/dbraw/zinc/54/00/28/1136540028.db2.gz AKPJIESWDYNQES-MJGOQNOKSA-N 1 2 337.467 3.713 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)C1 ZINC000853523062 1136540034 /nfs/dbraw/zinc/54/00/34/1136540034.db2.gz AKPJIESWDYNQES-MJGOQNOKSA-N 1 2 337.467 3.713 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627454 1136550499 /nfs/dbraw/zinc/55/04/99/1136550499.db2.gz VQRHLYYBMZFOHE-OAHLLOKOSA-N 1 2 343.500 3.597 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627454 1136550502 /nfs/dbraw/zinc/55/05/02/1136550502.db2.gz VQRHLYYBMZFOHE-OAHLLOKOSA-N 1 2 343.500 3.597 20 30 EHEDLO CC(C)c1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000854248848 1136601003 /nfs/dbraw/zinc/60/10/03/1136601003.db2.gz LPBDXCCDWLXVGN-UHFFFAOYSA-N 1 2 347.462 3.640 20 30 EHEDLO C=CCC(F)(F)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000815858881 1136645143 /nfs/dbraw/zinc/64/51/43/1136645143.db2.gz JUKUCIXBFUQJDT-INIZCTEOSA-N 1 2 333.382 3.569 20 30 EHEDLO COc1cc(Cl)ccc1C(=O)/C=C\c1ncc(C[NH+](C)C)s1 ZINC000817346705 1136800605 /nfs/dbraw/zinc/80/06/05/1136800605.db2.gz RGQXGDKSDFDNGO-SREVYHEPSA-N 1 2 336.844 3.763 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc2[nH+]ccn21 ZINC000776898842 1136818562 /nfs/dbraw/zinc/81/85/62/1136818562.db2.gz AHMVFUKUWSJRAZ-CYBMUJFWSA-N 1 2 336.420 3.981 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046893 1136935195 /nfs/dbraw/zinc/93/51/95/1136935195.db2.gz QOHATLAIFNFVGU-LJQANCHMSA-N 1 2 337.398 3.623 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046893 1136935197 /nfs/dbraw/zinc/93/51/97/1136935197.db2.gz QOHATLAIFNFVGU-LJQANCHMSA-N 1 2 337.398 3.623 20 30 EHEDLO CC(C)n1ccn(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1=S ZINC000863336815 1137181760 /nfs/dbraw/zinc/18/17/60/1137181760.db2.gz VMOCTGXIFLGJGE-UHFFFAOYSA-N 1 2 326.469 3.682 20 30 EHEDLO CC(C)n1ccn(C[N@H+]2CCc3c(CC#N)cccc3C2)c1=S ZINC000863336815 1137181762 /nfs/dbraw/zinc/18/17/62/1137181762.db2.gz VMOCTGXIFLGJGE-UHFFFAOYSA-N 1 2 326.469 3.682 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143726657 1137194252 /nfs/dbraw/zinc/19/42/52/1137194252.db2.gz XFMMUUVBWHNPRM-ZDUSSCGKSA-N 1 2 349.862 3.558 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143726657 1137194254 /nfs/dbraw/zinc/19/42/54/1137194254.db2.gz XFMMUUVBWHNPRM-ZDUSSCGKSA-N 1 2 349.862 3.558 20 30 EHEDLO Cc1cc(NC(=O)/C=C\c2ccccc2C#N)ccc1-n1cc[nH+]c1 ZINC001143934736 1137218282 /nfs/dbraw/zinc/21/82/82/1137218282.db2.gz ZFZOCDASZXGTIP-TWGQIWQCSA-N 1 2 328.375 3.704 20 30 EHEDLO CC[C@H](C)[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171183170 1137293555 /nfs/dbraw/zinc/29/35/55/1137293555.db2.gz BSIJXVNYXTXHEZ-DAYGRLMNSA-N 1 2 330.472 3.835 20 30 EHEDLO CC(C)C[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171182871 1137293619 /nfs/dbraw/zinc/29/36/19/1137293619.db2.gz ZMAVERXHXRUGDG-QAPCUYQASA-N 1 2 330.472 3.835 20 30 EHEDLO C[C@@H](CC(=O)OCC#Cc1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845510885 1137297627 /nfs/dbraw/zinc/29/76/27/1137297627.db2.gz JQGAJNOVGQWAJQ-LBPRGKRZSA-N 1 2 337.206 3.736 20 30 EHEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cc(F)c(O)cc3F)C2)cc1 ZINC001144663267 1137324922 /nfs/dbraw/zinc/32/49/22/1137324922.db2.gz BDXFFOZWAJRNPX-INIZCTEOSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cc(F)c(O)cc3F)C2)cc1 ZINC001144663267 1137324923 /nfs/dbraw/zinc/32/49/23/1137324923.db2.gz BDXFFOZWAJRNPX-INIZCTEOSA-N 1 2 344.361 3.585 20 30 EHEDLO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cccc(C#N)c1O ZINC000866211082 1137335445 /nfs/dbraw/zinc/33/54/45/1137335445.db2.gz ALBKPTKDXGMDFI-WMLDXEAASA-N 1 2 341.480 3.813 20 30 EHEDLO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866221909 1137336123 /nfs/dbraw/zinc/33/61/23/1137336123.db2.gz UXZRAHQRDSWMJF-UZLBHIALSA-N 1 2 335.451 3.752 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)c1 ZINC000866298356 1137343459 /nfs/dbraw/zinc/34/34/59/1137343459.db2.gz YBWKHLDMPXDYIN-ZTNFWEORSA-N 1 2 340.398 3.929 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866297645 1137343493 /nfs/dbraw/zinc/34/34/93/1137343493.db2.gz LEIBLBPCGXUYDD-WMLDXEAASA-N 1 2 335.407 3.796 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1nc(Br)ccc1F ZINC000794973762 1137382217 /nfs/dbraw/zinc/38/22/17/1137382217.db2.gz YIWKGBBOVBRYOR-XQRVVYSFSA-N 1 2 346.159 3.527 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC001171510870 1137495239 /nfs/dbraw/zinc/49/52/39/1137495239.db2.gz MMWXMLYGBSCWRP-AWEZNQCLSA-N 1 2 327.378 3.720 20 30 EHEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](CC)CO1 ZINC001171778174 1137510342 /nfs/dbraw/zinc/51/03/42/1137510342.db2.gz JUTQBSGHMVQPKN-DLBZAZTESA-N 1 2 325.374 3.946 20 30 EHEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](CC)CO1 ZINC001171778174 1137510343 /nfs/dbraw/zinc/51/03/43/1137510343.db2.gz JUTQBSGHMVQPKN-DLBZAZTESA-N 1 2 325.374 3.946 20 30 EHEDLO CSCC[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172302728 1137545274 /nfs/dbraw/zinc/54/52/74/1137545274.db2.gz PMLVKDILRCWALB-YOEHRIQHSA-N 1 2 348.512 3.542 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000876686342 1137659075 /nfs/dbraw/zinc/65/90/75/1137659075.db2.gz VJKULHYNZPEUKO-OAHLLOKOSA-N 1 2 341.798 3.672 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000876686342 1137659076 /nfs/dbraw/zinc/65/90/76/1137659076.db2.gz VJKULHYNZPEUKO-OAHLLOKOSA-N 1 2 341.798 3.672 20 30 EHEDLO N#Cc1cnc(Cl)c(CNc2ccc(N3CCCCC3)c[nH+]2)c1 ZINC000876953993 1137666187 /nfs/dbraw/zinc/66/61/87/1137666187.db2.gz APLVANLSSQDVMN-UHFFFAOYSA-N 1 2 327.819 3.604 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000877957003 1137697130 /nfs/dbraw/zinc/69/71/30/1137697130.db2.gz CGAXVBUSUQRLFB-FQEVSTJZSA-N 1 2 342.389 3.837 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000877957003 1137697131 /nfs/dbraw/zinc/69/71/31/1137697131.db2.gz CGAXVBUSUQRLFB-FQEVSTJZSA-N 1 2 342.389 3.837 20 30 EHEDLO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(OC)c1OC ZINC000879464522 1137748500 /nfs/dbraw/zinc/74/85/00/1137748500.db2.gz MNMALHQFKVUWCP-QGZVFWFLSA-N 1 2 328.387 3.955 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2ncc(-c3cccs3)o2)ccc1F ZINC000131223933 1137848685 /nfs/dbraw/zinc/84/86/85/1137848685.db2.gz VKHMAXZFVNRPKA-UHFFFAOYSA-N 1 2 331.372 3.688 20 30 EHEDLO NC(=[NH+]OCC(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 ZINC000028774957 1137869639 /nfs/dbraw/zinc/86/96/39/1137869639.db2.gz QBUQEKSMAVSTBY-UHFFFAOYSA-N 1 2 345.402 3.629 20 30 EHEDLO C=CC(C)(C)CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883789888 1137870380 /nfs/dbraw/zinc/87/03/80/1137870380.db2.gz BLHSDJSHOJKXTD-KRWDZBQOSA-N 1 2 326.444 3.526 20 30 EHEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCC1 ZINC000886062752 1138037301 /nfs/dbraw/zinc/03/73/01/1138037301.db2.gz WSJSTYHMIDJAIR-AWEZNQCLSA-N 1 2 343.858 3.624 20 30 EHEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCC1 ZINC000886062752 1138037303 /nfs/dbraw/zinc/03/73/03/1138037303.db2.gz WSJSTYHMIDJAIR-AWEZNQCLSA-N 1 2 343.858 3.624 20 30 EHEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000886761947 1138134031 /nfs/dbraw/zinc/13/40/31/1138134031.db2.gz NYFVVMALLCJLPB-CYBMUJFWSA-N 1 2 335.398 3.895 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](Cc2cccs2)C2CC2)c(C#N)c1C ZINC000177249165 1139607021 /nfs/dbraw/zinc/60/70/21/1139607021.db2.gz AUYHSBVUKAFWTA-UHFFFAOYSA-N 1 2 345.493 3.901 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)c(C#N)c1C ZINC000177249165 1139607026 /nfs/dbraw/zinc/60/70/26/1139607026.db2.gz AUYHSBVUKAFWTA-UHFFFAOYSA-N 1 2 345.493 3.901 20 30 EHEDLO C[NH+](C)c1ccc(N2CCC(=NOCCC(F)(F)F)CC2)cc1 ZINC000777455549 1140380995 /nfs/dbraw/zinc/38/09/95/1140380995.db2.gz HOKJIEBEUOFRES-UHFFFAOYSA-N 1 2 329.366 3.678 20 30 EHEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000271144725 1141314105 /nfs/dbraw/zinc/31/41/05/1141314105.db2.gz XMYQJBYAOCAXBA-MRXNPFEDSA-N 1 2 331.423 3.526 20 30 EHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000271144725 1141314109 /nfs/dbraw/zinc/31/41/09/1141314109.db2.gz XMYQJBYAOCAXBA-MRXNPFEDSA-N 1 2 331.423 3.526 20 30 EHEDLO C=CC[NH+](CC=C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000098072198 219078935 /nfs/dbraw/zinc/07/89/35/219078935.db2.gz XSWCERIZZYISDN-STQMWFEESA-N 1 2 343.496 3.844 20 30 EHEDLO C=CCCCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000274553918 1014226558 /nfs/dbraw/zinc/22/65/58/1014226558.db2.gz JCVPDXSTJZFCSB-UHFFFAOYSA-N 1 2 344.503 3.686 20 30 EHEDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187030857 1014803671 /nfs/dbraw/zinc/80/36/71/1014803671.db2.gz QTUFRTNWEHMVCC-AWEZNQCLSA-N 1 2 347.890 3.586 20 30 EHEDLO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187030857 1014803686 /nfs/dbraw/zinc/80/36/86/1014803686.db2.gz QTUFRTNWEHMVCC-AWEZNQCLSA-N 1 2 347.890 3.586 20 30 EHEDLO CC[N@H+](Cc1nc(CC(F)(F)F)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000336882712 1015982300 /nfs/dbraw/zinc/98/23/00/1015982300.db2.gz XFFPVKNEMAZVPH-LLVKDONJSA-N 1 2 338.333 3.629 20 30 EHEDLO CC[N@@H+](Cc1nc(CC(F)(F)F)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000336882712 1015982308 /nfs/dbraw/zinc/98/23/08/1015982308.db2.gz XFFPVKNEMAZVPH-LLVKDONJSA-N 1 2 338.333 3.629 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000007334967 1016676784 /nfs/dbraw/zinc/67/67/84/1016676784.db2.gz KIZKLWNWOHCPCZ-UHFFFAOYSA-N 1 2 338.476 3.962 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000007334967 1016676791 /nfs/dbraw/zinc/67/67/91/1016676791.db2.gz KIZKLWNWOHCPCZ-UHFFFAOYSA-N 1 2 338.476 3.962 20 30 EHEDLO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)c2nccn2C)cc1 ZINC000181451967 1016689672 /nfs/dbraw/zinc/68/96/72/1016689672.db2.gz DIZXYDZGHRBGOP-YWZLYKJASA-N 1 2 346.434 3.741 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@H+](CCC#N)C(C)C)o1 ZINC000547844180 1017056457 /nfs/dbraw/zinc/05/64/57/1017056457.db2.gz JFXOJQONRZBIIP-UHFFFAOYSA-N 1 2 326.396 3.857 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@@H+](CCC#N)C(C)C)o1 ZINC000547844180 1017056472 /nfs/dbraw/zinc/05/64/72/1017056472.db2.gz JFXOJQONRZBIIP-UHFFFAOYSA-N 1 2 326.396 3.857 20 30 EHEDLO N#Cc1csc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000449369039 1032484822 /nfs/dbraw/zinc/48/48/22/1032484822.db2.gz QUDCMJBCICOKMY-UHFFFAOYSA-N 1 2 339.342 3.692 20 30 EHEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329814897 1032591522 /nfs/dbraw/zinc/59/15/22/1032591522.db2.gz DWQICFWNOAERNK-IAOVAPTHSA-N 1 2 332.444 3.561 20 30 EHEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329814897 1032591528 /nfs/dbraw/zinc/59/15/28/1032591528.db2.gz DWQICFWNOAERNK-IAOVAPTHSA-N 1 2 332.444 3.561 20 30 EHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000593967838 1032661463 /nfs/dbraw/zinc/66/14/63/1032661463.db2.gz FKLAAUIDJFNTMR-AWEZNQCLSA-N 1 2 329.444 3.638 20 30 EHEDLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000608846990 1017338726 /nfs/dbraw/zinc/33/87/26/1017338726.db2.gz RMZGPRXONXOIBL-INIZCTEOSA-N 1 2 346.434 3.667 20 30 EHEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000377222485 1017482122 /nfs/dbraw/zinc/48/21/22/1017482122.db2.gz HNZUNKSFBBEHCU-QFBILLFUSA-N 1 2 338.455 3.921 20 30 EHEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000377222485 1017482132 /nfs/dbraw/zinc/48/21/32/1017482132.db2.gz HNZUNKSFBBEHCU-QFBILLFUSA-N 1 2 338.455 3.921 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1nc(-c2cccnc2)no1 ZINC000176961761 1017537575 /nfs/dbraw/zinc/53/75/75/1017537575.db2.gz GSVHFOJAQVKSDF-HNNXBMFYSA-N 1 2 339.424 3.552 20 30 EHEDLO CC[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(C#N)cc1 ZINC000340425784 1017741769 /nfs/dbraw/zinc/74/17/69/1017741769.db2.gz UFRYIGFAWNGVMN-XHDPSFHLSA-N 1 2 345.244 3.913 20 30 EHEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000528772161 1032792336 /nfs/dbraw/zinc/79/23/36/1032792336.db2.gz KUQZEWWEOUKFBD-SNVBAGLBSA-N 1 2 329.188 3.940 20 30 EHEDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000528772161 1032792346 /nfs/dbraw/zinc/79/23/46/1032792346.db2.gz KUQZEWWEOUKFBD-SNVBAGLBSA-N 1 2 329.188 3.940 20 30 EHEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)n1 ZINC000614406235 1018986826 /nfs/dbraw/zinc/98/68/26/1018986826.db2.gz ZQHRVNVQFWUEAN-AWEZNQCLSA-N 1 2 348.406 3.776 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)C3(C#N)CCCCC3)n2)CC1 ZINC000057383244 1019874168 /nfs/dbraw/zinc/87/41/68/1019874168.db2.gz RGYGBJJJCIKJNT-UHFFFAOYSA-N 1 2 346.500 3.788 20 30 EHEDLO N#Cc1cccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1F ZINC000340901842 1020568601 /nfs/dbraw/zinc/56/86/01/1020568601.db2.gz MHTNCJSVBNPBAT-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO COc1cc2c(cc1OC)C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000426367514 1021381618 /nfs/dbraw/zinc/38/16/18/1021381618.db2.gz XHJFCLDEKOSDDI-UHFFFAOYSA-N 1 2 341.838 3.767 20 30 EHEDLO COc1cc2c(cc1OC)C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000426367514 1021381638 /nfs/dbraw/zinc/38/16/38/1021381638.db2.gz XHJFCLDEKOSDDI-UHFFFAOYSA-N 1 2 341.838 3.767 20 30 EHEDLO C#Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000933365808 1021413506 /nfs/dbraw/zinc/41/35/06/1021413506.db2.gz IWMIFULBXOZFGV-SUMWQHHRSA-N 1 2 342.830 3.633 20 30 EHEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)c(F)c1 ZINC000439436193 1021436770 /nfs/dbraw/zinc/43/67/70/1021436770.db2.gz HSYPDNUUJRJCQN-KRWDZBQOSA-N 1 2 336.769 3.967 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000550306387 1021565588 /nfs/dbraw/zinc/56/55/88/1021565588.db2.gz YFCYBDBIDLBKHP-UKRRQHHQSA-N 1 2 342.487 3.761 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)c1C#N ZINC000550306387 1021565601 /nfs/dbraw/zinc/56/56/01/1021565601.db2.gz YFCYBDBIDLBKHP-UKRRQHHQSA-N 1 2 342.487 3.761 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)c(C)c1)Cc1ccc(OC)cc1 ZINC000550308539 1021570938 /nfs/dbraw/zinc/57/09/38/1021570938.db2.gz ZFLHXTRHPGNSKH-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)Cc1ccc(OC)cc1 ZINC000550308539 1021570947 /nfs/dbraw/zinc/57/09/47/1021570947.db2.gz ZFLHXTRHPGNSKH-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000134624002 1021695321 /nfs/dbraw/zinc/69/53/21/1021695321.db2.gz WKPWRFMVVBAMKK-CXAGYDPISA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000134624002 1021695325 /nfs/dbraw/zinc/69/53/25/1021695325.db2.gz WKPWRFMVVBAMKK-CXAGYDPISA-N 1 2 347.434 3.575 20 30 EHEDLO N#CCc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000341467822 1021998195 /nfs/dbraw/zinc/99/81/95/1021998195.db2.gz WLJAWPZMFUGRBK-SFHVURJKSA-N 1 2 330.391 3.636 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cn2ccnc2s1 ZINC000894417679 1022250437 /nfs/dbraw/zinc/25/04/37/1022250437.db2.gz URJYCMPLZCACBO-UHFFFAOYSA-N 1 2 329.473 3.752 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cn2ccnc2s1 ZINC000894417679 1022250442 /nfs/dbraw/zinc/25/04/42/1022250442.db2.gz URJYCMPLZCACBO-UHFFFAOYSA-N 1 2 329.473 3.752 20 30 EHEDLO C=CC[N@H+](Cc1nc2cccnc2s1)Cc1ccc(OC)cc1 ZINC000341598942 1022505160 /nfs/dbraw/zinc/50/51/60/1022505160.db2.gz IRLCKIZHLORCGK-UHFFFAOYSA-N 1 2 325.437 3.888 20 30 EHEDLO C=CC[N@@H+](Cc1nc2cccnc2s1)Cc1ccc(OC)cc1 ZINC000341598942 1022505165 /nfs/dbraw/zinc/50/51/65/1022505165.db2.gz IRLCKIZHLORCGK-UHFFFAOYSA-N 1 2 325.437 3.888 20 30 EHEDLO C[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccc(C#N)cc1 ZINC000341658076 1022878868 /nfs/dbraw/zinc/87/88/68/1022878868.db2.gz MSNSQIYJKDUOCM-BEFAXECRSA-N 1 2 344.418 3.681 20 30 EHEDLO C=CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646337 1023473471 /nfs/dbraw/zinc/47/34/71/1023473471.db2.gz MILCXDDBPOCWST-UHFFFAOYSA-N 1 2 328.416 3.804 20 30 EHEDLO C=CC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646337 1023473478 /nfs/dbraw/zinc/47/34/78/1023473478.db2.gz MILCXDDBPOCWST-UHFFFAOYSA-N 1 2 328.416 3.804 20 30 EHEDLO N#CC1(F)CC[NH+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000510955240 1023533074 /nfs/dbraw/zinc/53/30/74/1023533074.db2.gz WNGIGBVSINNDPO-UHFFFAOYSA-N 1 2 349.494 3.808 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C)c1 ZINC000330100819 1024319642 /nfs/dbraw/zinc/31/96/42/1024319642.db2.gz FCYOVHZRDYEABV-FUHIMQAGSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C)c1 ZINC000330100819 1024319660 /nfs/dbraw/zinc/31/96/60/1024319660.db2.gz FCYOVHZRDYEABV-FUHIMQAGSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1C ZINC000330128353 1024328899 /nfs/dbraw/zinc/32/88/99/1024328899.db2.gz NNJJWLQAOJLFFM-KNBMTAEXSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1C ZINC000330128353 1024328914 /nfs/dbraw/zinc/32/89/14/1024328914.db2.gz NNJJWLQAOJLFFM-KNBMTAEXSA-N 1 2 346.471 3.550 20 30 EHEDLO CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)CC1 ZINC000330201662 1024353372 /nfs/dbraw/zinc/35/33/72/1024353372.db2.gz YCYFYVYDWFKORD-UYSNPLJNSA-N 1 2 349.450 3.599 20 30 EHEDLO CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)CC1 ZINC000330201662 1024353385 /nfs/dbraw/zinc/35/33/85/1024353385.db2.gz YCYFYVYDWFKORD-UYSNPLJNSA-N 1 2 349.450 3.599 20 30 EHEDLO Cc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000505582863 1024536653 /nfs/dbraw/zinc/53/66/53/1024536653.db2.gz WDQSDRSHXOFPLA-UHFFFAOYSA-N 1 2 336.439 3.828 20 30 EHEDLO C[NH+](C)Cc1csc(CNc2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000895484770 1024561404 /nfs/dbraw/zinc/56/14/04/1024561404.db2.gz XDJXEBKZWRDKDY-UHFFFAOYSA-N 1 2 340.374 3.707 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000435056000 1024585868 /nfs/dbraw/zinc/58/58/68/1024585868.db2.gz DZLQWXZRLJPVPY-GOSISDBHSA-N 1 2 326.440 3.819 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CCCCC2)C1 ZINC000435056000 1024585872 /nfs/dbraw/zinc/58/58/72/1024585872.db2.gz DZLQWXZRLJPVPY-GOSISDBHSA-N 1 2 326.440 3.819 20 30 EHEDLO C=CCCn1cc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)nn1 ZINC000657296629 1024700918 /nfs/dbraw/zinc/70/09/18/1024700918.db2.gz JBSMSMSELQKTCW-OAHLLOKOSA-N 1 2 334.876 3.834 20 30 EHEDLO Cc1c[nH+]c(CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)n1C ZINC000425363080 1024863133 /nfs/dbraw/zinc/86/31/33/1024863133.db2.gz ADMLRIOFBUOSPI-LBPRGKRZSA-N 1 2 336.361 3.662 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000474431518 1024958093 /nfs/dbraw/zinc/95/80/93/1024958093.db2.gz ZNFYRQAXBYLLIJ-CQSZACIVSA-N 1 2 343.496 3.914 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000474431518 1024958104 /nfs/dbraw/zinc/95/81/04/1024958104.db2.gz ZNFYRQAXBYLLIJ-CQSZACIVSA-N 1 2 343.496 3.914 20 30 EHEDLO Nc1c(Br)cc(Br)cc1C=[NH+]OC1CCC1 ZINC000309633396 1033268021 /nfs/dbraw/zinc/26/80/21/1033268021.db2.gz RRDXXKCXDOZNTQ-UHFFFAOYSA-N 1 2 348.038 3.697 20 30 EHEDLO COCCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000892200990 1025408599 /nfs/dbraw/zinc/40/85/99/1025408599.db2.gz JCSBCXRJDBVZJA-RBUKOAKNSA-N 1 2 340.423 3.577 20 30 EHEDLO COCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000892200990 1025408606 /nfs/dbraw/zinc/40/86/06/1025408606.db2.gz JCSBCXRJDBVZJA-RBUKOAKNSA-N 1 2 340.423 3.577 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccc(OC)cc1 ZINC000515745059 1025536485 /nfs/dbraw/zinc/53/64/85/1025536485.db2.gz NVTKTSXCZCDSRA-SQGPQFPESA-N 1 2 344.499 3.624 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccc(OC)cc1 ZINC000515745059 1025536495 /nfs/dbraw/zinc/53/64/95/1025536495.db2.gz NVTKTSXCZCDSRA-SQGPQFPESA-N 1 2 344.499 3.624 20 30 EHEDLO N#CC1(CCC[N@@H+](Cc2ccccc2Cl)C2COC2)CCOCC1 ZINC000425531020 1025654012 /nfs/dbraw/zinc/65/40/12/1025654012.db2.gz LCIVFCVIBMYPTG-UHFFFAOYSA-N 1 2 348.874 3.641 20 30 EHEDLO N#CC1(CCC[N@H+](Cc2ccccc2Cl)C2COC2)CCOCC1 ZINC000425531020 1025654024 /nfs/dbraw/zinc/65/40/24/1025654024.db2.gz LCIVFCVIBMYPTG-UHFFFAOYSA-N 1 2 348.874 3.641 20 30 EHEDLO CC(C)C[N@H+](Cc1nc(C(C)(C)C)no1)Cc1ccc(C#N)cc1 ZINC000521821618 1025709038 /nfs/dbraw/zinc/70/90/38/1025709038.db2.gz MCPKDYBCHJRRNE-UHFFFAOYSA-N 1 2 326.444 3.897 20 30 EHEDLO CC(C)C[N@@H+](Cc1nc(C(C)(C)C)no1)Cc1ccc(C#N)cc1 ZINC000521821618 1025709050 /nfs/dbraw/zinc/70/90/50/1025709050.db2.gz MCPKDYBCHJRRNE-UHFFFAOYSA-N 1 2 326.444 3.897 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1ccc(N2CCOCC2)c[nH+]1 ZINC000515944715 1025786977 /nfs/dbraw/zinc/78/69/77/1025786977.db2.gz DHMNEEAHWRSMRA-HXUWFJFHSA-N 1 2 348.450 3.669 20 30 EHEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000582309677 1025810665 /nfs/dbraw/zinc/81/06/65/1025810665.db2.gz LVKBZQVTNZJMEM-SECBINFHSA-N 1 2 333.741 3.579 20 30 EHEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnc3c(Cl)cccc31)C2 ZINC000896654851 1025816826 /nfs/dbraw/zinc/81/68/26/1025816826.db2.gz OVIYFYXMSOOHFZ-UHFFFAOYSA-N 1 2 337.814 3.539 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000522006588 1025880250 /nfs/dbraw/zinc/88/02/50/1025880250.db2.gz SPDJNNSZQLZNQW-UONOGXRCSA-N 1 2 328.441 3.867 20 30 EHEDLO C=CCCn1cc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)nn1 ZINC000657406581 1026031804 /nfs/dbraw/zinc/03/18/04/1026031804.db2.gz GFEPTEXXPUSJNQ-UHFFFAOYSA-N 1 2 348.454 3.666 20 30 EHEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000511110882 1026085857 /nfs/dbraw/zinc/08/58/57/1026085857.db2.gz SKUOWUZBJBUTEE-HXUWFJFHSA-N 1 2 341.476 3.529 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000511110882 1026085874 /nfs/dbraw/zinc/08/58/74/1026085874.db2.gz SKUOWUZBJBUTEE-HXUWFJFHSA-N 1 2 341.476 3.529 20 30 EHEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000023667275 1026396557 /nfs/dbraw/zinc/39/65/57/1026396557.db2.gz XJERJPSUGKDGCE-JTQLQIEISA-N 1 2 335.379 3.529 20 30 EHEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000023667275 1026396567 /nfs/dbraw/zinc/39/65/67/1026396567.db2.gz XJERJPSUGKDGCE-JTQLQIEISA-N 1 2 335.379 3.529 20 30 EHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3C)n2)c1 ZINC000186330683 1026515557 /nfs/dbraw/zinc/51/55/57/1026515557.db2.gz YZLAOCMKFVWPPG-CQSZACIVSA-N 1 2 348.406 3.776 20 30 EHEDLO C=CC(C)(C)CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000455114137 1027725749 /nfs/dbraw/zinc/72/57/49/1027725749.db2.gz ZHPKWHLKPYBSTC-UHFFFAOYSA-N 1 2 332.835 3.537 20 30 EHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000533520470 1028037924 /nfs/dbraw/zinc/03/79/24/1028037924.db2.gz ZKARGHSSSCUWFS-NRFANRHFSA-N 1 2 348.446 3.697 20 30 EHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000533520470 1028037937 /nfs/dbraw/zinc/03/79/37/1028037937.db2.gz ZKARGHSSSCUWFS-NRFANRHFSA-N 1 2 348.446 3.697 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(C)c2)c(C#N)c1C ZINC000444741974 1028226353 /nfs/dbraw/zinc/22/63/53/1028226353.db2.gz FIEFEULCPBPINJ-UHFFFAOYSA-N 1 2 345.443 3.755 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(F)c(C)c2)c(C#N)c1C ZINC000444741974 1028226367 /nfs/dbraw/zinc/22/63/67/1028226367.db2.gz FIEFEULCPBPINJ-UHFFFAOYSA-N 1 2 345.443 3.755 20 30 EHEDLO Cc1cc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)ccc1F ZINC000444743311 1028230148 /nfs/dbraw/zinc/23/01/48/1028230148.db2.gz YNNHEIRGSLOADI-UHFFFAOYSA-N 1 2 345.805 3.730 20 30 EHEDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)ccc1F ZINC000444743311 1028230151 /nfs/dbraw/zinc/23/01/51/1028230151.db2.gz YNNHEIRGSLOADI-UHFFFAOYSA-N 1 2 345.805 3.730 20 30 EHEDLO C=CC(C)(C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000454282144 1028316709 /nfs/dbraw/zinc/31/67/09/1028316709.db2.gz UPHJQEUNPGRTJY-CYBMUJFWSA-N 1 2 336.505 3.709 20 30 EHEDLO C=CC(C)(C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000454282144 1028316726 /nfs/dbraw/zinc/31/67/26/1028316726.db2.gz UPHJQEUNPGRTJY-CYBMUJFWSA-N 1 2 336.505 3.709 20 30 EHEDLO Cc1cc(C)c(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000455552754 1028416799 /nfs/dbraw/zinc/41/67/99/1028416799.db2.gz BZMYQZLVTFFMRM-UHFFFAOYSA-N 1 2 346.434 3.569 20 30 EHEDLO CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@H](O)C(F)(F)F ZINC000428395784 1028630495 /nfs/dbraw/zinc/63/04/95/1028630495.db2.gz FJCBFKCTWMSUHW-NSHDSACASA-N 1 2 333.247 3.590 20 30 EHEDLO CC[N@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@H](O)C(F)(F)F ZINC000428395784 1028630503 /nfs/dbraw/zinc/63/05/03/1028630503.db2.gz FJCBFKCTWMSUHW-NSHDSACASA-N 1 2 333.247 3.590 20 30 EHEDLO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000278067231 1028771994 /nfs/dbraw/zinc/77/19/94/1028771994.db2.gz GBIDMCOEKMTJIH-CQSZACIVSA-N 1 2 327.453 3.912 20 30 EHEDLO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000278067231 1028772007 /nfs/dbraw/zinc/77/20/07/1028772007.db2.gz GBIDMCOEKMTJIH-CQSZACIVSA-N 1 2 327.453 3.912 20 30 EHEDLO COc1cc(C)c(CNc2[nH+]cccc2OCCCC#N)cc1OC ZINC000162232945 1029516017 /nfs/dbraw/zinc/51/60/17/1029516017.db2.gz BQEFSUSZWYSGIR-UHFFFAOYSA-N 1 2 341.411 3.702 20 30 EHEDLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000049974337 1030629918 /nfs/dbraw/zinc/62/99/18/1030629918.db2.gz OFQQBJGVQHHZQX-QRWLVFNGSA-N 1 2 345.402 3.857 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(C4CC4)cs3)CC2)cc1 ZINC000343532737 1031279417 /nfs/dbraw/zinc/27/94/17/1031279417.db2.gz FKFKGKQJHDXSJB-UHFFFAOYSA-N 1 2 339.464 3.936 20 30 EHEDLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000536204710 1031562938 /nfs/dbraw/zinc/56/29/38/1031562938.db2.gz RIYJVPAORDUBDS-AWEZNQCLSA-N 1 2 332.444 3.509 20 30 EHEDLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(OC)c(C#N)c1 ZINC000536204710 1031562950 /nfs/dbraw/zinc/56/29/50/1031562950.db2.gz RIYJVPAORDUBDS-AWEZNQCLSA-N 1 2 332.444 3.509 20 30 EHEDLO C=CCC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000178467002 1031693979 /nfs/dbraw/zinc/69/39/79/1031693979.db2.gz KEQCLWOPBXCLCT-GOSISDBHSA-N 1 2 334.423 3.841 20 30 EHEDLO COCc1cc(C#N)ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000603335742 1033565814 /nfs/dbraw/zinc/56/58/14/1033565814.db2.gz NYVHMBDLKVHYFD-UHFFFAOYSA-N 1 2 338.455 3.598 20 30 EHEDLO N#CC1(C[NH2+]Cc2cn3ccc(Br)cc3n2)CCCCC1 ZINC000594981446 1033616493 /nfs/dbraw/zinc/61/64/93/1033616493.db2.gz QDGJQCIWNVGGJW-UHFFFAOYSA-N 1 2 347.260 3.660 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000603497640 1033700062 /nfs/dbraw/zinc/70/00/62/1033700062.db2.gz ZYCKOCDIXRHYMO-SFHVURJKSA-N 1 2 339.826 3.987 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000603497640 1033700076 /nfs/dbraw/zinc/70/00/76/1033700076.db2.gz ZYCKOCDIXRHYMO-SFHVURJKSA-N 1 2 339.826 3.987 20 30 EHEDLO C[N@@H+]1CC[C@H](N[C@@H](C#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595475335 1033824030 /nfs/dbraw/zinc/82/40/30/1033824030.db2.gz IISXPOXZYTUQMP-FHWLQOOXSA-N 1 2 327.378 3.564 20 30 EHEDLO C[N@H+]1CC[C@H](N[C@@H](C#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000595475335 1033824047 /nfs/dbraw/zinc/82/40/47/1033824047.db2.gz IISXPOXZYTUQMP-FHWLQOOXSA-N 1 2 327.378 3.564 20 30 EHEDLO CC[NH+](CC)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000255637533 1033868021 /nfs/dbraw/zinc/86/80/21/1033868021.db2.gz JIJGSVTVXVRSEX-RXWSAZGZSA-N 1 2 341.411 3.802 20 30 EHEDLO C[C@@H](c1c(F)cccc1F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603845221 1033969798 /nfs/dbraw/zinc/96/97/98/1033969798.db2.gz YYRCMBLIAOZMQC-HNNXBMFYSA-N 1 2 341.405 3.715 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1F ZINC000603926155 1034036259 /nfs/dbraw/zinc/03/62/59/1034036259.db2.gz NZGGWRGBRNDGDQ-UHFFFAOYSA-N 1 2 325.387 3.548 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1F ZINC000603926155 1034036279 /nfs/dbraw/zinc/03/62/79/1034036279.db2.gz NZGGWRGBRNDGDQ-UHFFFAOYSA-N 1 2 325.387 3.548 20 30 EHEDLO C=CCCC1(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CCCC1 ZINC000658296102 1034170808 /nfs/dbraw/zinc/17/08/08/1034170808.db2.gz GLPXGSHKVPRWPV-UHFFFAOYSA-N 1 2 343.471 3.588 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000604291702 1034306164 /nfs/dbraw/zinc/30/61/64/1034306164.db2.gz VKFZCIMNPXAUNK-UHFFFAOYSA-N 1 2 337.398 3.548 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000604291702 1034306172 /nfs/dbraw/zinc/30/61/72/1034306172.db2.gz VKFZCIMNPXAUNK-UHFFFAOYSA-N 1 2 337.398 3.548 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000597174375 1034582480 /nfs/dbraw/zinc/58/24/80/1034582480.db2.gz PRQUGXSWTKLHSD-GOSISDBHSA-N 1 2 338.407 3.592 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000597174375 1034582490 /nfs/dbraw/zinc/58/24/90/1034582490.db2.gz PRQUGXSWTKLHSD-GOSISDBHSA-N 1 2 338.407 3.592 20 30 EHEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459423883 1034588642 /nfs/dbraw/zinc/58/86/42/1034588642.db2.gz FNOOAHCRDRIYPM-ZDUSSCGKSA-N 1 2 327.306 3.629 20 30 EHEDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459423883 1034588655 /nfs/dbraw/zinc/58/86/55/1034588655.db2.gz FNOOAHCRDRIYPM-ZDUSSCGKSA-N 1 2 327.306 3.629 20 30 EHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597229552 1034612041 /nfs/dbraw/zinc/61/20/41/1034612041.db2.gz MHDDJYBZRCSMOP-NRFANRHFSA-N 1 2 331.419 3.873 20 30 EHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597229552 1034612046 /nfs/dbraw/zinc/61/20/46/1034612046.db2.gz MHDDJYBZRCSMOP-NRFANRHFSA-N 1 2 331.419 3.873 20 30 EHEDLO N#C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000597340938 1034682129 /nfs/dbraw/zinc/68/21/29/1034682129.db2.gz AMDFKLKVEOSXCA-ROUUACIJSA-N 1 2 336.439 3.520 20 30 EHEDLO N#C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000597340936 1034682610 /nfs/dbraw/zinc/68/26/10/1034682610.db2.gz AMDFKLKVEOSXCA-MSOLQXFVSA-N 1 2 336.439 3.520 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cc(OC)ccc1OCOC)c1ccc(Cl)cc1 ZINC000491230864 1035634618 /nfs/dbraw/zinc/63/46/18/1035634618.db2.gz PPBVNSKBCGRERX-GOSISDBHSA-N 1 2 345.826 3.795 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CCCCCC#N)n2)C1 ZINC000588266615 1035869098 /nfs/dbraw/zinc/86/90/98/1035869098.db2.gz YACJDRKPWCORRI-CQSZACIVSA-N 1 2 334.489 3.788 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CCCCCC#N)n2)C1 ZINC000588266615 1035869119 /nfs/dbraw/zinc/86/91/19/1035869119.db2.gz YACJDRKPWCORRI-CQSZACIVSA-N 1 2 334.489 3.788 20 30 EHEDLO N#CCC1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000541018432 1035919384 /nfs/dbraw/zinc/91/93/84/1035919384.db2.gz CRJXOSYMNVDINA-UHFFFAOYSA-N 1 2 345.443 3.987 20 30 EHEDLO Cc1cc(F)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(F)c1 ZINC000572477408 1036109732 /nfs/dbraw/zinc/10/97/32/1036109732.db2.gz SKVVGKVHQATPBJ-UHFFFAOYSA-N 1 2 327.378 3.726 20 30 EHEDLO CCCc1c(NCc2[nH]c(C)c(C)[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000572781635 1036495323 /nfs/dbraw/zinc/49/53/23/1036495323.db2.gz XENPNBKNGLBIFH-UHFFFAOYSA-N 1 2 334.427 3.649 20 30 EHEDLO C[C@H](c1ccccc1Br)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226963 1036731200 /nfs/dbraw/zinc/73/12/00/1036731200.db2.gz QCHISXMOEFSHMZ-GFCCVEGCSA-N 1 2 332.245 3.852 20 30 EHEDLO C[C@H](c1ccccc1Br)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226963 1036731216 /nfs/dbraw/zinc/73/12/16/1036731216.db2.gz QCHISXMOEFSHMZ-GFCCVEGCSA-N 1 2 332.245 3.852 20 30 EHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462340896 1036839627 /nfs/dbraw/zinc/83/96/27/1036839627.db2.gz NDDDQRGGSPCFEN-CQSZACIVSA-N 1 2 330.391 3.999 20 30 EHEDLO C#C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000491277212 1037069241 /nfs/dbraw/zinc/06/92/41/1037069241.db2.gz NDCWLAIPMQKTBH-LJQANCHMSA-N 1 2 349.821 3.689 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539827318 1037253534 /nfs/dbraw/zinc/25/35/34/1037253534.db2.gz QEMWZWABEXMZOI-FPOVZHCZSA-N 1 2 343.434 3.743 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539827318 1037253543 /nfs/dbraw/zinc/25/35/43/1037253543.db2.gz QEMWZWABEXMZOI-FPOVZHCZSA-N 1 2 343.434 3.743 20 30 EHEDLO Cc1nc(C)c(C#N)c(SCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000191557563 1037265168 /nfs/dbraw/zinc/26/51/68/1037265168.db2.gz VKXBDYLCPDAVBV-UHFFFAOYSA-N 1 2 335.436 3.752 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2F)c(C#N)c1C ZINC000271836215 1037431755 /nfs/dbraw/zinc/43/17/55/1037431755.db2.gz XUPPHIZHBKHKJF-MNOVXSKESA-N 1 2 347.365 3.724 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](CCCC#N)c3ccccc3)ccn12 ZINC000573623695 1037664623 /nfs/dbraw/zinc/66/46/23/1037664623.db2.gz JSRZDHDTSKRMHP-SFHVURJKSA-N 1 2 332.407 3.808 20 30 EHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000573814222 1037757250 /nfs/dbraw/zinc/75/72/50/1037757250.db2.gz PCCLMYBZHOOEBZ-UHFFFAOYSA-N 1 2 345.805 3.789 20 30 EHEDLO CCc1cc(OCC(=O)Nc2ccc(C#N)cc2)c2ccccc2[nH+]1 ZINC000538852417 1038564104 /nfs/dbraw/zinc/56/41/04/1038564104.db2.gz KQMNKVJOUVDOAJ-UHFFFAOYSA-N 1 2 331.375 3.686 20 30 EHEDLO C=CCN(C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C1CC1 ZINC000539027319 1038645103 /nfs/dbraw/zinc/64/51/03/1038645103.db2.gz AJODVWIXSNNIGB-LJQANCHMSA-N 1 2 338.455 3.601 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462212457 1038867133 /nfs/dbraw/zinc/86/71/33/1038867133.db2.gz JJCDQFIWSXCFON-HOTGVXAUSA-N 1 2 335.517 3.881 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000237581367 1039391887 /nfs/dbraw/zinc/39/18/87/1039391887.db2.gz OARDIKMQCDDJKT-OLZOCXBDSA-N 1 2 328.416 3.509 20 30 EHEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000660299137 1040291379 /nfs/dbraw/zinc/29/13/79/1040291379.db2.gz XYCBWQIAAAIDSQ-ROUUACIJSA-N 1 2 342.487 3.616 20 30 EHEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176617 1040385691 /nfs/dbraw/zinc/38/56/91/1040385691.db2.gz CERHOPZGPXQSOO-UHFFFAOYSA-N 1 2 347.422 3.565 20 30 EHEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176617 1040385700 /nfs/dbraw/zinc/38/57/00/1040385700.db2.gz CERHOPZGPXQSOO-UHFFFAOYSA-N 1 2 347.422 3.565 20 30 EHEDLO CC(=O)Nc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cs1 ZINC000433016413 1040454067 /nfs/dbraw/zinc/45/40/67/1040454067.db2.gz QNBFRMRQDNIKMG-INIZCTEOSA-N 1 2 328.441 3.626 20 30 EHEDLO CCO[C@H](C)c1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433034638 1040535007 /nfs/dbraw/zinc/53/50/07/1040535007.db2.gz ZEPVBAJVPLMOIF-ZBFHGGJFSA-N 1 2 328.416 3.692 20 30 EHEDLO C=CCN1CC[C@@H]([NH2+]C2(c3c(Cl)cccc3Cl)CCC2)C1=O ZINC000499732652 1041055722 /nfs/dbraw/zinc/05/57/22/1041055722.db2.gz MJTDVHZQNPBDSZ-CQSZACIVSA-N 1 2 339.266 3.749 20 30 EHEDLO C=CCCn1cc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)nn1 ZINC000667925420 1041245295 /nfs/dbraw/zinc/24/52/95/1041245295.db2.gz XUNAHVLXRYYNRW-UHFFFAOYSA-N 1 2 333.439 3.625 20 30 EHEDLO C=CCCn1cc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)nn1 ZINC000667925420 1041245312 /nfs/dbraw/zinc/24/53/12/1041245312.db2.gz XUNAHVLXRYYNRW-UHFFFAOYSA-N 1 2 333.439 3.625 20 30 EHEDLO N#Cc1ccc2nc(NCc3ccc(Cn4cc[nH+]c4)cc3)ccc2c1 ZINC000092891127 1041331900 /nfs/dbraw/zinc/33/19/00/1041331900.db2.gz IBEMQMQKAGJTRX-UHFFFAOYSA-N 1 2 339.402 3.963 20 30 EHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661150680 1041970292 /nfs/dbraw/zinc/97/02/92/1041970292.db2.gz QMXQFIRPZRDKGZ-KRWDZBQOSA-N 1 2 339.439 3.555 20 30 EHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661150680 1041970296 /nfs/dbraw/zinc/97/02/96/1041970296.db2.gz QMXQFIRPZRDKGZ-KRWDZBQOSA-N 1 2 339.439 3.555 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccc(OC)cc2)n1)[C@@H](C)COC ZINC000661242448 1042025183 /nfs/dbraw/zinc/02/51/83/1042025183.db2.gz ATOTVYILKZKVSI-AWEZNQCLSA-N 1 2 332.469 3.842 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(OC)cc2)n1)[C@@H](C)COC ZINC000661242448 1042025193 /nfs/dbraw/zinc/02/51/93/1042025193.db2.gz ATOTVYILKZKVSI-AWEZNQCLSA-N 1 2 332.469 3.842 20 30 EHEDLO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000278988279 1043138649 /nfs/dbraw/zinc/13/86/49/1043138649.db2.gz RVHSARCVPKBBEM-SECBINFHSA-N 1 2 341.358 3.893 20 30 EHEDLO C=CCOc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1OC ZINC000162755819 1043767941 /nfs/dbraw/zinc/76/79/41/1043767941.db2.gz VVOSGASYACNBEA-UHFFFAOYSA-N 1 2 349.390 3.902 20 30 EHEDLO CC(C)CC[N@H+](CCC#N)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187182127 1043900282 /nfs/dbraw/zinc/90/02/82/1043900282.db2.gz LRIPORBLVGQUKB-UHFFFAOYSA-N 1 2 328.435 3.832 20 30 EHEDLO CC(C)CC[N@@H+](CCC#N)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187182127 1043900293 /nfs/dbraw/zinc/90/02/93/1043900293.db2.gz LRIPORBLVGQUKB-UHFFFAOYSA-N 1 2 328.435 3.832 20 30 EHEDLO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C)S1 ZINC000072770057 1126877716 /nfs/dbraw/zinc/87/77/16/1126877716.db2.gz RPNGLDLGZVVUMT-GASCZTMLSA-N 1 2 341.480 3.563 20 30 EHEDLO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C)S1 ZINC000072770057 1126877718 /nfs/dbraw/zinc/87/77/18/1126877718.db2.gz RPNGLDLGZVVUMT-GASCZTMLSA-N 1 2 341.480 3.563 20 30 EHEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c(C(F)(F)F)c1 ZINC001212360122 1127980052 /nfs/dbraw/zinc/98/00/52/1127980052.db2.gz KDJRJGRNEXLHBW-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000301335341 1128585439 /nfs/dbraw/zinc/58/54/39/1128585439.db2.gz BXGOENQABYDSKS-GOSISDBHSA-N 1 2 342.393 3.505 20 30 EHEDLO N#Cc1ccc2nc(NCc3ccccc3-n3cc[nH+]c3)ccc2c1 ZINC000302678118 1128641132 /nfs/dbraw/zinc/64/11/32/1128641132.db2.gz QSPCZJCZLMXCBY-UHFFFAOYSA-N 1 2 325.375 3.904 20 30 EHEDLO C=CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000187108339 1120486603 /nfs/dbraw/zinc/48/66/03/1120486603.db2.gz XSIMVBXINIJXPD-GOSISDBHSA-N 1 2 349.409 3.988 20 30 EHEDLO CC(C)Oc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761763254 1120893947 /nfs/dbraw/zinc/89/39/47/1120893947.db2.gz PUMJVUNWLJMEPX-NRFANRHFSA-N 1 2 336.435 3.919 20 30 EHEDLO CC(C)Oc1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761763254 1120893949 /nfs/dbraw/zinc/89/39/49/1120893949.db2.gz PUMJVUNWLJMEPX-NRFANRHFSA-N 1 2 336.435 3.919 20 30 EHEDLO C[C@H](c1nc2ccccc2o1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272255528 1121140176 /nfs/dbraw/zinc/14/01/76/1121140176.db2.gz ITAUWRAIYDQGAI-MRXNPFEDSA-N 1 2 346.434 3.578 20 30 EHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1cc(Br)ncc1F ZINC000762422878 1121293209 /nfs/dbraw/zinc/29/32/09/1121293209.db2.gz BEGCCVFONPSUND-PLNGDYQASA-N 1 2 346.159 3.527 20 30 EHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+](C)CC2CC2)c1=S ZINC000153569578 1121351266 /nfs/dbraw/zinc/35/12/66/1121351266.db2.gz UIEHMOQIMPCOEM-UHFFFAOYSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000153569578 1121351273 /nfs/dbraw/zinc/35/12/73/1121351273.db2.gz UIEHMOQIMPCOEM-UHFFFAOYSA-N 1 2 328.485 3.875 20 30 EHEDLO C=C(Cl)C[NH+]1CCC(c2c(OC)cc(OC)cc2OC)CC1 ZINC000915360143 1121358642 /nfs/dbraw/zinc/35/86/42/1121358642.db2.gz QPGAKGYZTGKXKM-UHFFFAOYSA-N 1 2 325.836 3.644 20 30 EHEDLO C=CCn1c(C)nnc1SCc1c[nH+]c(N(C)C)c2ccccc12 ZINC000915816230 1121644624 /nfs/dbraw/zinc/64/46/24/1121644624.db2.gz NAWUZEVMUKJMMN-UHFFFAOYSA-N 1 2 339.468 3.679 20 30 EHEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccc(F)cc2F)CCO1 ZINC000915933629 1121993148 /nfs/dbraw/zinc/99/31/48/1121993148.db2.gz GFEVLVLYJZRTQH-CYBMUJFWSA-N 1 2 331.366 3.636 20 30 EHEDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cccc(C#N)c1 ZINC000496200453 1121997030 /nfs/dbraw/zinc/99/70/30/1121997030.db2.gz ZQOUBHWSRMIDSF-UHFFFAOYSA-N 1 2 338.411 3.590 20 30 EHEDLO CN(C)c1nc(Cl)c(C=[NH+]Nc2cccc3ncccc32)s1 ZINC000915964651 1122009163 /nfs/dbraw/zinc/00/91/63/1122009163.db2.gz HOERCHMQNCNVLU-UHFFFAOYSA-N 1 2 331.832 3.857 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnnn1-c1c(C)cccc1C ZINC000065959246 1122449633 /nfs/dbraw/zinc/44/96/33/1122449633.db2.gz QVLZQYVBUSWVSS-UHFFFAOYSA-N 1 2 347.466 3.510 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnnn1-c1c(C)cccc1C ZINC000065959246 1122449636 /nfs/dbraw/zinc/44/96/36/1122449636.db2.gz QVLZQYVBUSWVSS-UHFFFAOYSA-N 1 2 347.466 3.510 20 30 EHEDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000128210392 1122538264 /nfs/dbraw/zinc/53/82/64/1122538264.db2.gz OOQFGBBGIUFCHN-CQSZACIVSA-N 1 2 345.830 3.873 20 30 EHEDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000128210392 1122538268 /nfs/dbraw/zinc/53/82/68/1122538268.db2.gz OOQFGBBGIUFCHN-CQSZACIVSA-N 1 2 345.830 3.873 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC000556545476 1123018299 /nfs/dbraw/zinc/01/82/99/1123018299.db2.gz OOZUTORJYAFFQN-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC000556545476 1123018305 /nfs/dbraw/zinc/01/83/05/1123018305.db2.gz OOZUTORJYAFFQN-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194886531 1123038178 /nfs/dbraw/zinc/03/81/78/1123038178.db2.gz WMOHRNPFXGPCFE-UHFFFAOYSA-N 1 2 344.418 3.795 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCSc2ccccc21)Cc1cccs1 ZINC000499052505 1123174716 /nfs/dbraw/zinc/17/47/16/1123174716.db2.gz GBYDHHVZUICIFR-UHFFFAOYSA-N 1 2 344.505 3.875 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1cccs1 ZINC000499052505 1123174718 /nfs/dbraw/zinc/17/47/18/1123174718.db2.gz GBYDHHVZUICIFR-UHFFFAOYSA-N 1 2 344.505 3.875 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1CCCC1 ZINC000557050774 1123284585 /nfs/dbraw/zinc/28/45/85/1123284585.db2.gz DWJWIQGWAJWNGO-LBPRGKRZSA-N 1 2 326.893 3.837 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC1CCCC1 ZINC000557050774 1123284588 /nfs/dbraw/zinc/28/45/88/1123284588.db2.gz DWJWIQGWAJWNGO-LBPRGKRZSA-N 1 2 326.893 3.837 20 30 EHEDLO CC(=[NH+]Nc1ccc(Br)c(C)c1)c1csc(N)n1 ZINC000920479092 1123377691 /nfs/dbraw/zinc/37/76/91/1123377691.db2.gz KCFWTBFVKZNQBH-UHFFFAOYSA-N 1 2 325.235 3.632 20 30 EHEDLO C[N@@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000153433106 1125134371 /nfs/dbraw/zinc/13/43/71/1125134371.db2.gz ZRYYNMCYQYWKAN-HOTGVXAUSA-N 1 2 348.784 3.742 20 30 EHEDLO C[N@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000153433106 1125134377 /nfs/dbraw/zinc/13/43/77/1125134377.db2.gz ZRYYNMCYQYWKAN-HOTGVXAUSA-N 1 2 348.784 3.742 20 30 EHEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(C#N)cc1C ZINC000619060185 1125267401 /nfs/dbraw/zinc/26/74/01/1125267401.db2.gz ORHVANHWULLZRU-PMACEKPBSA-N 1 2 334.419 3.745 20 30 EHEDLO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(C#N)cc1C ZINC000619060185 1125267404 /nfs/dbraw/zinc/26/74/04/1125267404.db2.gz ORHVANHWULLZRU-PMACEKPBSA-N 1 2 334.419 3.745 20 30 EHEDLO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000619847246 1125416129 /nfs/dbraw/zinc/41/61/29/1125416129.db2.gz GDJPNNNHMNCDBD-QGZVFWFLSA-N 1 2 331.872 3.784 20 30 EHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093669906 1129598962 /nfs/dbraw/zinc/59/89/62/1129598962.db2.gz MSRYTGBMANUTFO-CQSZACIVSA-N 1 2 329.831 3.683 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2ccncc2)no1 ZINC000347757952 1129693385 /nfs/dbraw/zinc/69/33/85/1129693385.db2.gz WVYZGVQJUQBTRE-OAHLLOKOSA-N 1 2 339.424 3.552 20 30 EHEDLO C[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748199 1129823521 /nfs/dbraw/zinc/82/35/21/1129823521.db2.gz ZRMOLTDYBWWIRG-OAHLLOKOSA-N 1 2 345.855 3.510 20 30 EHEDLO C[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748199 1129823527 /nfs/dbraw/zinc/82/35/27/1129823527.db2.gz ZRMOLTDYBWWIRG-OAHLLOKOSA-N 1 2 345.855 3.510 20 30 EHEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000766086471 1130235086 /nfs/dbraw/zinc/23/50/86/1130235086.db2.gz XNKUJOFEYPUDMD-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000766086471 1130235089 /nfs/dbraw/zinc/23/50/89/1130235089.db2.gz XNKUJOFEYPUDMD-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc2c(c1)OCCCO2 ZINC000730148126 1130679324 /nfs/dbraw/zinc/67/93/24/1130679324.db2.gz OOJDRIDCQDNWOT-UHFFFAOYSA-N 1 2 333.391 3.654 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](c3ccco3)C2)nc1C1CC1 ZINC000732184251 1130894499 /nfs/dbraw/zinc/89/44/99/1130894499.db2.gz YKNCLZIYTLXXGT-CQSZACIVSA-N 1 2 330.457 3.517 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](c3ccco3)C2)nc1C1CC1 ZINC000732184251 1130894505 /nfs/dbraw/zinc/89/45/05/1130894505.db2.gz YKNCLZIYTLXXGT-CQSZACIVSA-N 1 2 330.457 3.517 20 30 EHEDLO COc1ccc(-c2cnc(C[N@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000065281201 1131531384 /nfs/dbraw/zinc/53/13/84/1131531384.db2.gz MXYXJGVYIKUCOO-UHFFFAOYSA-N 1 2 333.391 3.854 20 30 EHEDLO COc1ccc(-c2cnc(C[N@@H+](C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000065281201 1131531389 /nfs/dbraw/zinc/53/13/89/1131531389.db2.gz MXYXJGVYIKUCOO-UHFFFAOYSA-N 1 2 333.391 3.854 20 30 EHEDLO C#CCOc1ccc(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)cc1 ZINC000741670969 1131631626 /nfs/dbraw/zinc/63/16/26/1131631626.db2.gz FCNTZBHIDUECDG-UHFFFAOYSA-N 1 2 345.402 3.958 20 30 EHEDLO C#Cc1cccc(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000743085190 1131856320 /nfs/dbraw/zinc/85/63/20/1131856320.db2.gz VZOLFXGHZDKTST-IBGZPJMESA-N 1 2 344.418 3.507 20 30 EHEDLO COC(=O)[C@H](CSCc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173589368 1132096417 /nfs/dbraw/zinc/09/64/17/1132096417.db2.gz WDRGAGQWZXBZSM-HFCFLWKCSA-N 1 2 346.496 3.523 20 30 EHEDLO COC(=O)c1scc(C#N)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523459 1132400307 /nfs/dbraw/zinc/40/03/07/1132400307.db2.gz OOLFBUOBZDYHEO-UHFFFAOYSA-N 1 2 342.424 3.535 20 30 EHEDLO N#Cc1ccc2ccccc2c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977558 1132510918 /nfs/dbraw/zinc/51/09/18/1132510918.db2.gz UOPPOHWJADFUCM-UHFFFAOYSA-N 1 2 330.391 3.687 20 30 EHEDLO C#CC[N@@H+](CC)[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000746456764 1132541371 /nfs/dbraw/zinc/54/13/71/1132541371.db2.gz IAJLQCQZZSYXCE-FQEVSTJZSA-N 1 2 336.435 3.720 20 30 EHEDLO C#CC[N@H+](CC)[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000746456764 1132541379 /nfs/dbraw/zinc/54/13/79/1132541379.db2.gz IAJLQCQZZSYXCE-FQEVSTJZSA-N 1 2 336.435 3.720 20 30 EHEDLO Cc1cc(Cl)nc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C#N ZINC001175712128 1132740934 /nfs/dbraw/zinc/74/09/34/1132740934.db2.gz GGNFWVPVQCZPDH-UHFFFAOYSA-N 1 2 327.697 3.655 20 30 EHEDLO N#CCC[N@H+](CC1CC1)Cn1c2ccccc2nc1SC(F)F ZINC000103459620 1132886818 /nfs/dbraw/zinc/88/68/18/1132886818.db2.gz FVYREAPDFPQJSI-UHFFFAOYSA-N 1 2 336.411 3.934 20 30 EHEDLO N#CCC[N@@H+](CC1CC1)Cn1c2ccccc2nc1SC(F)F ZINC000103459620 1132886825 /nfs/dbraw/zinc/88/68/25/1132886825.db2.gz FVYREAPDFPQJSI-UHFFFAOYSA-N 1 2 336.411 3.934 20 30 EHEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001176815908 1133001872 /nfs/dbraw/zinc/00/18/72/1133001872.db2.gz YNKRPVRZPIESJR-IUODEOHRSA-N 1 2 345.443 3.927 20 30 EHEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001176815908 1133001879 /nfs/dbraw/zinc/00/18/79/1133001879.db2.gz YNKRPVRZPIESJR-IUODEOHRSA-N 1 2 345.443 3.927 20 30 EHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768764301 1133174469 /nfs/dbraw/zinc/17/44/69/1133174469.db2.gz NECVTVQCQOIINB-UHFFFAOYSA-N 1 2 330.432 3.709 20 30 EHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768764301 1133174471 /nfs/dbraw/zinc/17/44/71/1133174471.db2.gz NECVTVQCQOIINB-UHFFFAOYSA-N 1 2 330.432 3.709 20 30 EHEDLO CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000746497172 1133181639 /nfs/dbraw/zinc/18/16/39/1133181639.db2.gz ASAGTNUZYBKSAM-UHFFFAOYSA-N 1 2 348.410 3.866 20 30 EHEDLO C#CCOc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000769330965 1133263825 /nfs/dbraw/zinc/26/38/25/1133263825.db2.gz XSJQVPBPARNWGN-UHFFFAOYSA-N 1 2 331.419 3.624 20 30 EHEDLO C#CCOc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000769330965 1133263830 /nfs/dbraw/zinc/26/38/30/1133263830.db2.gz XSJQVPBPARNWGN-UHFFFAOYSA-N 1 2 331.419 3.624 20 30 EHEDLO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000769514434 1133307675 /nfs/dbraw/zinc/30/76/75/1133307675.db2.gz MZBNGJQHTGDPGN-BEFAXECRSA-N 1 2 327.449 3.722 20 30 EHEDLO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000769514434 1133307681 /nfs/dbraw/zinc/30/76/81/1133307681.db2.gz MZBNGJQHTGDPGN-BEFAXECRSA-N 1 2 327.449 3.722 20 30 EHEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000769528825 1133309298 /nfs/dbraw/zinc/30/92/98/1133309298.db2.gz ZWXWPQGHFBOTKR-UHFFFAOYSA-N 1 2 341.405 3.873 20 30 EHEDLO CN(CCC#N)c1ccc(C[N@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000769528825 1133309301 /nfs/dbraw/zinc/30/93/01/1133309301.db2.gz ZWXWPQGHFBOTKR-UHFFFAOYSA-N 1 2 341.405 3.873 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000772284564 1133667853 /nfs/dbraw/zinc/66/78/53/1133667853.db2.gz JMTZMWQHRLNVRH-UHFFFAOYSA-N 1 2 327.815 3.802 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000772284564 1133667855 /nfs/dbraw/zinc/66/78/55/1133667855.db2.gz JMTZMWQHRLNVRH-UHFFFAOYSA-N 1 2 327.815 3.802 20 30 EHEDLO CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838351 1133863204 /nfs/dbraw/zinc/86/32/04/1133863204.db2.gz FVNCYBJDECWQBA-ZWOKBUDYSA-N 1 2 341.499 3.854 20 30 EHEDLO CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838351 1133863210 /nfs/dbraw/zinc/86/32/10/1133863210.db2.gz FVNCYBJDECWQBA-ZWOKBUDYSA-N 1 2 341.499 3.854 20 30 EHEDLO Cc1cc(F)c(C#N)c(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001186325166 1134195026 /nfs/dbraw/zinc/19/50/26/1134195026.db2.gz CJCHNWMMADUTCE-OKILXGFUSA-N 1 2 340.402 3.758 20 30 EHEDLO CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000789069834 1134216221 /nfs/dbraw/zinc/21/62/21/1134216221.db2.gz CHTLCJRAXIYYML-UHFFFAOYSA-N 1 2 343.390 3.550 20 30 EHEDLO CCc1ccccc1NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001187606997 1134354808 /nfs/dbraw/zinc/35/48/08/1134354808.db2.gz AOZQIIBMOIDZQX-UHFFFAOYSA-N 1 2 340.452 3.814 20 30 EHEDLO CCc1ccccc1NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001187606997 1134354816 /nfs/dbraw/zinc/35/48/16/1134354816.db2.gz AOZQIIBMOIDZQX-UHFFFAOYSA-N 1 2 340.452 3.814 20 30 EHEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2ccc(OC)cc2)o1)c1ccccc1 ZINC000775401153 1134721465 /nfs/dbraw/zinc/72/14/65/1134721465.db2.gz RLBMTOQFWWJANC-GOSISDBHSA-N 1 2 333.391 3.599 20 30 EHEDLO CCCCCCCNC(=O)NCc1c[nH+]cn1Cc1ccc(F)cc1 ZINC001191123883 1134797928 /nfs/dbraw/zinc/79/79/28/1134797928.db2.gz XTYKDCFWIMIQLS-UHFFFAOYSA-N 1 2 346.450 3.840 20 30 EHEDLO C/C(=C/c1ccccc1)C[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515501 1134943735 /nfs/dbraw/zinc/94/37/35/1134943735.db2.gz KBIAHVZSDHWPSV-ATVHPVEESA-N 1 2 347.462 3.592 20 30 EHEDLO C/C(=C/c1ccccc1)C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515501 1134943742 /nfs/dbraw/zinc/94/37/42/1134943742.db2.gz KBIAHVZSDHWPSV-ATVHPVEESA-N 1 2 347.462 3.592 20 30 EHEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001192947801 1135075317 /nfs/dbraw/zinc/07/53/17/1135075317.db2.gz PLNYWSVVHNUDAP-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO CCCCCCCCCCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804440145 1135077516 /nfs/dbraw/zinc/07/75/16/1135077516.db2.gz ULTHIFULBZQWMD-OALUTQOASA-N 1 2 338.536 3.839 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2-c2cccc(Cl)c2)CC1 ZINC001193804250 1135187362 /nfs/dbraw/zinc/18/73/62/1135187362.db2.gz UQIFUPUFCIWJOC-UHFFFAOYSA-N 1 2 340.854 3.951 20 30 EHEDLO Cc1cc(C#N)c(F)cc1NC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001194906985 1135339058 /nfs/dbraw/zinc/33/90/58/1135339058.db2.gz JZNUWRCPMGQGAY-UHFFFAOYSA-N 1 2 334.354 3.659 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000775621769 1135347649 /nfs/dbraw/zinc/34/76/49/1135347649.db2.gz XJTFBAWMXKJEJG-UHFFFAOYSA-N 1 2 343.471 3.540 20 30 EHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)sn1 ZINC001198122665 1135778734 /nfs/dbraw/zinc/77/87/34/1135778734.db2.gz SIFMFZQCRVGQPH-UHFFFAOYSA-N 1 2 341.358 3.674 20 30 EHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)sn1 ZINC001198122665 1135778736 /nfs/dbraw/zinc/77/87/36/1135778736.db2.gz SIFMFZQCRVGQPH-UHFFFAOYSA-N 1 2 341.358 3.674 20 30 EHEDLO COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1c[nH+]c2c(C)cccn12 ZINC000747694194 1136070419 /nfs/dbraw/zinc/07/04/19/1136070419.db2.gz UUJMBLGUXAEPQR-CLFYSBASSA-N 1 2 349.390 3.506 20 30 EHEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170666190 1136181113 /nfs/dbraw/zinc/18/11/13/1136181113.db2.gz PHLSPUKNZHEVIX-YJBOKZPZSA-N 1 2 337.410 3.556 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2)c1ccc(F)cc1 ZINC000812792831 1136251347 /nfs/dbraw/zinc/25/13/47/1136251347.db2.gz ITDVIEGZHYAYMT-ORAYPTAESA-N 1 2 325.383 3.622 20 30 EHEDLO Cc1ccccc1OCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329251 1136449325 /nfs/dbraw/zinc/44/93/25/1136449325.db2.gz WYXIGAPIJFGGON-NRFANRHFSA-N 1 2 335.451 3.716 20 30 EHEDLO Cc1ccccc1OCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329251 1136449327 /nfs/dbraw/zinc/44/93/27/1136449327.db2.gz WYXIGAPIJFGGON-NRFANRHFSA-N 1 2 335.451 3.716 20 30 EHEDLO Nc1ccc2c(c1)C(=[NH+]Nc1cncc(Br)c1)CCC2 ZINC000814886405 1136520111 /nfs/dbraw/zinc/52/01/11/1136520111.db2.gz AMOOQOUKKGNJBR-UHFFFAOYSA-N 1 2 331.217 3.579 20 30 EHEDLO Brc1cncc(N[NH+]=C2CC[C@@H]3CNc4cccc2c43)c1 ZINC000814886474 1136520432 /nfs/dbraw/zinc/52/04/32/1136520432.db2.gz CWOCNIXAVWJRMJ-SNVBAGLBSA-N 1 2 343.228 3.963 20 30 EHEDLO OC1CCN(c2ccc(C=[NH+]Nc3ccc(F)c(F)c3F)cc2)CC1 ZINC000853351381 1136527356 /nfs/dbraw/zinc/52/73/56/1136527356.db2.gz DIDUSBNNIAPCIX-UHFFFAOYSA-N 1 2 349.356 3.511 20 30 EHEDLO Cc1cc2ccccc2nc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000776782239 1136664721 /nfs/dbraw/zinc/66/47/21/1136664721.db2.gz GCDCHJSPOQYGKC-UHFFFAOYSA-N 1 2 331.423 3.984 20 30 EHEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)[C@H]2C)cc1OC ZINC000816647159 1136744092 /nfs/dbraw/zinc/74/40/92/1136744092.db2.gz OCGUCFVASDWOTN-NWDGAFQWSA-N 1 2 340.261 3.863 20 30 EHEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C)[C@H]2C)cc1OC ZINC000816647159 1136744094 /nfs/dbraw/zinc/74/40/94/1136744094.db2.gz OCGUCFVASDWOTN-NWDGAFQWSA-N 1 2 340.261 3.863 20 30 EHEDLO CCC1(CC)CCN(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000817361231 1136802794 /nfs/dbraw/zinc/80/27/94/1136802794.db2.gz HHDUGESIVUQSKU-UHFFFAOYSA-N 1 2 337.467 3.644 20 30 EHEDLO CCC1(CC)CCN(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000817361231 1136802797 /nfs/dbraw/zinc/80/27/97/1136802797.db2.gz HHDUGESIVUQSKU-UHFFFAOYSA-N 1 2 337.467 3.644 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)cc1C ZINC000859835834 1137033859 /nfs/dbraw/zinc/03/38/59/1137033859.db2.gz CMCNVJPWAVBLLX-MRXNPFEDSA-N 1 2 349.425 3.670 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)cc1C ZINC000859835834 1137033861 /nfs/dbraw/zinc/03/38/61/1137033861.db2.gz CMCNVJPWAVBLLX-MRXNPFEDSA-N 1 2 349.425 3.670 20 30 EHEDLO N#CC1(c2ccc(COC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000777139113 1137057264 /nfs/dbraw/zinc/05/72/64/1137057264.db2.gz FQENOQPRGQVCMR-UHFFFAOYSA-N 1 2 343.386 3.784 20 30 EHEDLO Cc1cc(NC(=O)CSc2ccc(C#N)cc2)ccc1-n1cc[nH+]c1 ZINC001136625055 1137073188 /nfs/dbraw/zinc/07/31/88/1137073188.db2.gz VSZPLHDBZVRWEV-UHFFFAOYSA-N 1 2 348.431 3.783 20 30 EHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136864809 1137135018 /nfs/dbraw/zinc/13/50/18/1137135018.db2.gz HORPVQPAWJFFOB-ZDUSSCGKSA-N 1 2 347.846 3.698 20 30 EHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc3c(cccc3Cl)[nH]2)C1 ZINC001136864809 1137135020 /nfs/dbraw/zinc/13/50/20/1137135020.db2.gz HORPVQPAWJFFOB-ZDUSSCGKSA-N 1 2 347.846 3.698 20 30 EHEDLO Cn1c(CC#N)nn(C[N@H+](Cc2ccccc2)CC(C)(C)C)c1=S ZINC000794625668 1137221508 /nfs/dbraw/zinc/22/15/08/1137221508.db2.gz JNBBVESNQLQTDR-UHFFFAOYSA-N 1 2 343.500 3.523 20 30 EHEDLO Cn1c(CC#N)nn(C[N@@H+](Cc2ccccc2)CC(C)(C)C)c1=S ZINC000794625668 1137221509 /nfs/dbraw/zinc/22/15/09/1137221509.db2.gz JNBBVESNQLQTDR-UHFFFAOYSA-N 1 2 343.500 3.523 20 30 EHEDLO C=CC[C@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001144026931 1137230394 /nfs/dbraw/zinc/23/03/94/1137230394.db2.gz MHVOWPUMRXJULD-XHDPSFHLSA-N 1 2 329.271 3.925 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2cccc(OC(F)F)c2)s1 ZINC000794695424 1137235035 /nfs/dbraw/zinc/23/50/35/1137235035.db2.gz NZOYIPMFYXICLQ-SREVYHEPSA-N 1 2 338.379 3.702 20 30 EHEDLO N#CCCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC001144056317 1137235311 /nfs/dbraw/zinc/23/53/11/1137235311.db2.gz XQTZGVPCUPBFNL-UHFFFAOYSA-N 1 2 348.381 3.631 20 30 EHEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)CO2 ZINC000794698227 1137236277 /nfs/dbraw/zinc/23/62/77/1137236277.db2.gz HUOYEGJQUGDGLX-RIYZIHGNSA-N 1 2 342.464 3.987 20 30 EHEDLO C[C@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)n1cc[nH+]c1 ZINC000845447036 1137292483 /nfs/dbraw/zinc/29/24/83/1137292483.db2.gz ABBPCNXTJGWDRA-PWSUYJOCSA-N 1 2 344.827 3.974 20 30 EHEDLO C#Cc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC001144576584 1137311759 /nfs/dbraw/zinc/31/17/59/1137311759.db2.gz NVRVLWRDTSFJPD-UHFFFAOYSA-N 1 2 346.261 3.692 20 30 EHEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000846119007 1137334023 /nfs/dbraw/zinc/33/40/23/1137334023.db2.gz VFJRVHDAZFGOEK-PBHICJAKSA-N 1 2 332.444 3.530 20 30 EHEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000846119007 1137334025 /nfs/dbraw/zinc/33/40/25/1137334025.db2.gz VFJRVHDAZFGOEK-PBHICJAKSA-N 1 2 332.444 3.530 20 30 EHEDLO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866235432 1137337551 /nfs/dbraw/zinc/33/75/51/1137337551.db2.gz CUHSZABXOKEKBZ-AWEZNQCLSA-N 1 2 337.423 3.853 20 30 EHEDLO CC(C)COC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccco1 ZINC000866252825 1137339639 /nfs/dbraw/zinc/33/96/39/1137339639.db2.gz QXJCUVVAMNWRIW-WMLDXEAASA-N 1 2 328.412 3.921 20 30 EHEDLO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3cccc(C#N)c3O)c2c1 ZINC000866264476 1137340580 /nfs/dbraw/zinc/34/05/80/1137340580.db2.gz BONWUYRFUUBBCQ-ZDUSSCGKSA-N 1 2 335.407 3.647 20 30 EHEDLO C#CCC1(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCCCC1 ZINC000846653559 1137360482 /nfs/dbraw/zinc/36/04/82/1137360482.db2.gz FLCZXRQOMBRGKY-IYARVYRRSA-N 1 2 339.483 3.895 20 30 EHEDLO C=CCC[C@@H]([NH2+]c1ccc(N2CCN(C(C)=O)CC2)cc1)C1CC1 ZINC000866627708 1137371035 /nfs/dbraw/zinc/37/10/35/1137371035.db2.gz ZTPGCVFELRLTIY-HXUWFJFHSA-N 1 2 327.472 3.512 20 30 EHEDLO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C#N)cnc1Cl ZINC000876522191 1137654582 /nfs/dbraw/zinc/65/45/82/1137654582.db2.gz KLNUIMXJYHWVIN-UHFFFAOYSA-N 1 2 328.847 3.695 20 30 EHEDLO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C#N)cnc1Cl ZINC000876522191 1137654583 /nfs/dbraw/zinc/65/45/83/1137654583.db2.gz KLNUIMXJYHWVIN-UHFFFAOYSA-N 1 2 328.847 3.695 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000876650149 1137658231 /nfs/dbraw/zinc/65/82/31/1137658231.db2.gz OFABCKFBNAFYLT-UHFFFAOYSA-N 1 2 345.805 3.789 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2OC2CCC2)c1 ZINC000877036853 1137668408 /nfs/dbraw/zinc/66/84/08/1137668408.db2.gz SYHGBXCLYHGTGG-UHFFFAOYSA-N 1 2 327.815 3.828 20 30 EHEDLO C#CC[C@@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000877119934 1137670686 /nfs/dbraw/zinc/67/06/86/1137670686.db2.gz LPKYLXODUSOTHK-HXUWFJFHSA-N 1 2 342.446 3.999 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1c1cc(C)on1)c1ccccc1 ZINC000877921320 1137695735 /nfs/dbraw/zinc/69/57/35/1137695735.db2.gz HENVLUXDOLKGEK-WOJBJXKFSA-N 1 2 337.423 3.561 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1c1cc(C)on1)c1ccccc1 ZINC000877921320 1137695736 /nfs/dbraw/zinc/69/57/36/1137695736.db2.gz HENVLUXDOLKGEK-WOJBJXKFSA-N 1 2 337.423 3.561 20 30 EHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551699 1137750563 /nfs/dbraw/zinc/75/05/63/1137750563.db2.gz YNNYVFOFXKDNBG-UHFFFAOYSA-N 1 2 340.402 3.727 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000880061970 1137766899 /nfs/dbraw/zinc/76/68/99/1137766899.db2.gz FOVOACLQOTXYDC-YGRLFVJLSA-N 1 2 332.753 3.753 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000880061970 1137766900 /nfs/dbraw/zinc/76/69/00/1137766900.db2.gz FOVOACLQOTXYDC-YGRLFVJLSA-N 1 2 332.753 3.753 20 30 EHEDLO CCc1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000104713057 1137879198 /nfs/dbraw/zinc/87/91/98/1137879198.db2.gz BLSXAKVHZVTPJE-UHFFFAOYSA-N 1 2 327.453 3.621 20 30 EHEDLO Cc1cccc2ncc(C[NH+]3CCC(C#N)(c4ccccc4F)CC3)n21 ZINC001137200212 1137880468 /nfs/dbraw/zinc/88/04/68/1137880468.db2.gz WGZGWRLCXBWFEX-UHFFFAOYSA-N 1 2 348.425 3.839 20 30 EHEDLO C=CC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000348383556 1138075674 /nfs/dbraw/zinc/07/56/74/1138075674.db2.gz PWPCBJLZSYHQTQ-AWEZNQCLSA-N 1 2 348.516 3.805 20 30 EHEDLO C=CC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000348383556 1138075677 /nfs/dbraw/zinc/07/56/77/1138075677.db2.gz PWPCBJLZSYHQTQ-AWEZNQCLSA-N 1 2 348.516 3.805 20 30 EHEDLO Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@H](C)CC#N)cc3)nc12 ZINC000093090977 1138234379 /nfs/dbraw/zinc/23/43/79/1138234379.db2.gz JXZZTYYABGLTPG-QGZVFWFLSA-N 1 2 348.450 3.956 20 30 EHEDLO Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@H](C)CC#N)cc3)nc12 ZINC000093090977 1138234382 /nfs/dbraw/zinc/23/43/82/1138234382.db2.gz JXZZTYYABGLTPG-QGZVFWFLSA-N 1 2 348.450 3.956 20 30 EHEDLO CCOc1ccc(O)c(/C=[NH+]/CC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000887270360 1138252427 /nfs/dbraw/zinc/25/24/27/1138252427.db2.gz MPNJPETUGDBZCQ-AQRZYSDFSA-N 1 2 347.455 3.576 20 30 EHEDLO Cc1ccc(C)c(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001202759575 1138317652 /nfs/dbraw/zinc/31/76/52/1138317652.db2.gz UORVSTFDERXTOL-UHFFFAOYSA-N 1 2 340.452 3.869 20 30 EHEDLO Cc1ccc(C)c(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001202759575 1138317654 /nfs/dbraw/zinc/31/76/54/1138317654.db2.gz UORVSTFDERXTOL-UHFFFAOYSA-N 1 2 340.452 3.869 20 30 EHEDLO C=C1CCC(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000889231605 1139180595 /nfs/dbraw/zinc/18/05/95/1139180595.db2.gz PPWLDSCAIYAEMW-UHFFFAOYSA-N 1 2 341.499 3.584 20 30 EHEDLO N#Cc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000179673706 1139773975 /nfs/dbraw/zinc/77/39/75/1139773975.db2.gz VEOSQFNKZBSEJS-UHFFFAOYSA-N 1 2 342.446 3.556 20 30 EHEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCc1cccs1 ZINC000271115858 1141309646 /nfs/dbraw/zinc/30/96/46/1141309646.db2.gz FFXCKDPEJBVRHT-AWEZNQCLSA-N 1 2 330.453 3.927 20 30 EHEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCc1cccs1 ZINC000271115858 1141309651 /nfs/dbraw/zinc/30/96/51/1141309651.db2.gz FFXCKDPEJBVRHT-AWEZNQCLSA-N 1 2 330.453 3.927 20 30 EHEDLO COc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(C#N)cc3)n2)ccc1C ZINC000271676419 1141416963 /nfs/dbraw/zinc/41/69/63/1141416963.db2.gz OREQHCJKSWZTEB-CQSZACIVSA-N 1 2 348.406 3.776 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)c1C ZINC000348540683 1141548896 /nfs/dbraw/zinc/54/88/96/1141548896.db2.gz IXKABDVFDMKCBY-OAQYLSRUSA-N 1 2 347.462 3.997 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]2c2ccccc2)c1C ZINC000348540683 1141548899 /nfs/dbraw/zinc/54/88/99/1141548899.db2.gz IXKABDVFDMKCBY-OAQYLSRUSA-N 1 2 347.462 3.997 20 30 EHEDLO CCO[C@@H](C)c1noc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000247072889 1016401428 /nfs/dbraw/zinc/40/14/28/1016401428.db2.gz YQTGQZBVHGZMGT-KGLIPLIRSA-N 1 2 328.416 3.622 20 30 EHEDLO CCO[C@@H](C)c1noc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000247072889 1016401439 /nfs/dbraw/zinc/40/14/39/1016401439.db2.gz YQTGQZBVHGZMGT-KGLIPLIRSA-N 1 2 328.416 3.622 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000027775634 1016983023 /nfs/dbraw/zinc/98/30/23/1016983023.db2.gz BMXBYAJXXGVUKZ-UHFFFAOYSA-N 1 2 339.395 3.530 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000027775634 1016983033 /nfs/dbraw/zinc/98/30/33/1016983033.db2.gz BMXBYAJXXGVUKZ-UHFFFAOYSA-N 1 2 339.395 3.530 20 30 EHEDLO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602006991 1032591707 /nfs/dbraw/zinc/59/17/07/1032591707.db2.gz UHKJBXWSZZVWEJ-CQSZACIVSA-N 1 2 339.414 3.515 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCC(=O)Nc2ccccc2C(C)C)ccc1F ZINC000121071702 1017966655 /nfs/dbraw/zinc/96/66/55/1017966655.db2.gz RIGZKAYFXTUUAN-UHFFFAOYSA-N 1 2 343.402 3.533 20 30 EHEDLO N#Cc1cc(Nc2cc[nH+]c3ccc(Br)cc23)ccc1N ZINC001213429416 1018117349 /nfs/dbraw/zinc/11/73/49/1018117349.db2.gz KRRKAUCUFJAEJU-UHFFFAOYSA-N 1 2 339.196 3.617 20 30 EHEDLO CC(C)(C)c1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)o1 ZINC000528782903 1032816849 /nfs/dbraw/zinc/81/68/49/1032816849.db2.gz NMHXODQWLRDWJM-UHFFFAOYSA-N 1 2 339.439 3.639 20 30 EHEDLO C=CCN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000340695471 1019410064 /nfs/dbraw/zinc/41/00/64/1019410064.db2.gz JJUOKJQBYJVOOW-UHFFFAOYSA-N 1 2 331.419 3.760 20 30 EHEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2Br)[C@@H]1[C@H]1CCCO1 ZINC000579650192 1019412445 /nfs/dbraw/zinc/41/24/45/1019412445.db2.gz ZFOJTADRHSOUFY-HZPDHXFCSA-N 1 2 349.272 3.710 20 30 EHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2Br)[C@@H]1[C@H]1CCCO1 ZINC000579650192 1019412449 /nfs/dbraw/zinc/41/24/49/1019412449.db2.gz ZFOJTADRHSOUFY-HZPDHXFCSA-N 1 2 349.272 3.710 20 30 EHEDLO C=CCc1cc(C[N@H+]2Cc3ccc(OC)cc3C2)cc(OC)c1O ZINC000656274758 1019879944 /nfs/dbraw/zinc/87/99/44/1019879944.db2.gz FPZXUZXZOGUACK-UHFFFAOYSA-N 1 2 325.408 3.654 20 30 EHEDLO C=CCc1cc(C[N@@H+]2Cc3ccc(OC)cc3C2)cc(OC)c1O ZINC000656274758 1019879959 /nfs/dbraw/zinc/87/99/59/1019879959.db2.gz FPZXUZXZOGUACK-UHFFFAOYSA-N 1 2 325.408 3.654 20 30 EHEDLO Cc1c(C#N)cccc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345993757 1021484039 /nfs/dbraw/zinc/48/40/39/1021484039.db2.gz POUPWJVPDVMPJC-UHFFFAOYSA-N 1 2 341.374 3.829 20 30 EHEDLO C=C(Br)C[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839159038 1021566697 /nfs/dbraw/zinc/56/66/97/1021566697.db2.gz LTBTWFBQBSVSIJ-OAHLLOKOSA-N 1 2 346.215 3.619 20 30 EHEDLO CC1(C#N)CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000506011407 1021697360 /nfs/dbraw/zinc/69/73/60/1021697360.db2.gz ALURRUPDXBXBGN-LJQANCHMSA-N 1 2 333.435 3.992 20 30 EHEDLO Cc1cc(C)c(NC(=O)CSCc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000192537030 1033047657 /nfs/dbraw/zinc/04/76/57/1033047657.db2.gz RDSIKDHFHXEPPY-UHFFFAOYSA-N 1 2 325.437 3.750 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000438194419 1022466197 /nfs/dbraw/zinc/46/61/97/1022466197.db2.gz XWZOENNUOOHMSU-KKSFZXQISA-N 1 2 336.435 3.837 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000438194419 1022466207 /nfs/dbraw/zinc/46/62/07/1022466207.db2.gz XWZOENNUOOHMSU-KKSFZXQISA-N 1 2 336.435 3.837 20 30 EHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)[C@@H]1C ZINC000328823664 1022496676 /nfs/dbraw/zinc/49/66/76/1022496676.db2.gz PMYHBPPYVVYSIS-XLMAVXFVSA-N 1 2 332.492 3.728 20 30 EHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)[C@@H]1C ZINC000328823664 1022496681 /nfs/dbraw/zinc/49/66/81/1022496681.db2.gz PMYHBPPYVVYSIS-XLMAVXFVSA-N 1 2 332.492 3.728 20 30 EHEDLO C[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000328836171 1022510088 /nfs/dbraw/zinc/51/00/88/1022510088.db2.gz SMCZLKYXQUBPQL-RHSMWYFYSA-N 1 2 330.476 3.501 20 30 EHEDLO C=CC[N@H+](Cc1ccc(C#N)cc1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438278455 1022518659 /nfs/dbraw/zinc/51/86/59/1022518659.db2.gz HFHNLWNKBSAKQO-OAQYLSRUSA-N 1 2 348.446 3.721 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438278455 1022518670 /nfs/dbraw/zinc/51/86/70/1022518670.db2.gz HFHNLWNKBSAKQO-OAQYLSRUSA-N 1 2 348.446 3.721 20 30 EHEDLO CCc1ccc2nc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)sc2c1 ZINC000328905939 1022542355 /nfs/dbraw/zinc/54/23/55/1022542355.db2.gz BDCZTJZZJCJEAM-LBPRGKRZSA-N 1 2 326.425 3.906 20 30 EHEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000330826736 1022681322 /nfs/dbraw/zinc/68/13/22/1022681322.db2.gz IVVNOLZMNJANAM-QPUJVOFHSA-N 1 2 346.645 3.867 20 30 EHEDLO CC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1c(C)nn(C)c1C ZINC000331332474 1022788504 /nfs/dbraw/zinc/78/85/04/1022788504.db2.gz PAZSTLWFFACJBE-HNNXBMFYSA-N 1 2 329.448 3.834 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000331356972 1022800363 /nfs/dbraw/zinc/80/03/63/1022800363.db2.gz SPMPNHOSWGYBCE-OPQQBVKSSA-N 1 2 326.227 3.602 20 30 EHEDLO C=CC(C)(C)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000458990283 1023013442 /nfs/dbraw/zinc/01/34/42/1023013442.db2.gz REVPHPLDNRKGML-ROUUACIJSA-N 1 2 338.455 3.623 20 30 EHEDLO C=C(C)[C@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccc(F)c(F)c1 ZINC000639058007 1023213290 /nfs/dbraw/zinc/21/32/90/1023213290.db2.gz IBZNYZQUUDHZLY-SFHVURJKSA-N 1 2 332.350 3.538 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CCO2)c1 ZINC000341795862 1023330595 /nfs/dbraw/zinc/33/05/95/1023330595.db2.gz ARZTUNIGYPJXJX-GOSISDBHSA-N 1 2 344.361 3.733 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CCO2)c1 ZINC000341795862 1023330602 /nfs/dbraw/zinc/33/06/02/1023330602.db2.gz ARZTUNIGYPJXJX-GOSISDBHSA-N 1 2 344.361 3.733 20 30 EHEDLO N#Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1F ZINC000610720087 1023352337 /nfs/dbraw/zinc/35/23/37/1023352337.db2.gz YTBQQRNEFZNSEH-PHIMTYICSA-N 1 2 340.242 3.870 20 30 EHEDLO N#Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1F ZINC000610720087 1023352345 /nfs/dbraw/zinc/35/23/45/1023352345.db2.gz YTBQQRNEFZNSEH-PHIMTYICSA-N 1 2 340.242 3.870 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cnc([C@H]2CCCO2)s1 ZINC000342016263 1023758793 /nfs/dbraw/zinc/75/87/93/1023758793.db2.gz IKQSZQIHRVSBFK-OAHLLOKOSA-N 1 2 344.440 3.684 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1F ZINC000610927924 1023880153 /nfs/dbraw/zinc/88/01/53/1023880153.db2.gz QFRVRIOYNCTVRE-UHFFFAOYSA-N 1 2 343.402 3.758 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1F ZINC000610927924 1023880162 /nfs/dbraw/zinc/88/01/62/1023880162.db2.gz QFRVRIOYNCTVRE-UHFFFAOYSA-N 1 2 343.402 3.758 20 30 EHEDLO CC1(C)CCCc2sc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)nc21 ZINC000329640089 1023970485 /nfs/dbraw/zinc/97/04/85/1023970485.db2.gz ZPJWFQIQXBKJBA-NSHDSACASA-N 1 2 330.457 3.804 20 30 EHEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610994462 1024001219 /nfs/dbraw/zinc/00/12/19/1024001219.db2.gz IBZMVILPQMWMHC-LJQANCHMSA-N 1 2 331.423 3.660 20 30 EHEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994462 1024001236 /nfs/dbraw/zinc/00/12/36/1024001236.db2.gz IBZMVILPQMWMHC-LJQANCHMSA-N 1 2 331.423 3.660 20 30 EHEDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(c3c[nH]c[nH+]3)CC1)CCC2 ZINC000329695816 1024085243 /nfs/dbraw/zinc/08/52/43/1024085243.db2.gz DFSOXTOUOJCXLL-SFHVURJKSA-N 1 2 338.455 3.889 20 30 EHEDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(c3c[nH+]c[nH]3)CC1)CCC2 ZINC000329695816 1024085257 /nfs/dbraw/zinc/08/52/57/1024085257.db2.gz DFSOXTOUOJCXLL-SFHVURJKSA-N 1 2 338.455 3.889 20 30 EHEDLO C=CCCCCCCCCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001269810197 1024158141 /nfs/dbraw/zinc/15/81/41/1024158141.db2.gz SRUSQRJDYZRPMI-UHFFFAOYSA-N 1 2 343.515 3.966 20 30 EHEDLO O=C(NC[C@H]1CCCCC(F)(F)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330205666 1024356300 /nfs/dbraw/zinc/35/63/00/1024356300.db2.gz DOWSDOPRRAKTJS-ZDUSSCGKSA-N 1 2 340.418 3.719 20 30 EHEDLO CC(C)CCN(CCC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425180932 1024406178 /nfs/dbraw/zinc/40/61/78/1024406178.db2.gz URMAFRIJWDOEGD-SFHVURJKSA-N 1 2 338.455 3.720 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185097592 1024425676 /nfs/dbraw/zinc/42/56/76/1024425676.db2.gz QREURROKOUYLFU-NSHDSACASA-N 1 2 340.333 3.737 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CCCCC2)CC1 ZINC000434843095 1024452345 /nfs/dbraw/zinc/45/23/45/1024452345.db2.gz NPLXRPWCSPCHDS-SFHVURJKSA-N 1 2 326.440 3.819 20 30 EHEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000602860381 1033212849 /nfs/dbraw/zinc/21/28/49/1033212849.db2.gz CUSCIZSFCYWTIA-MAUKXSAKSA-N 1 2 327.472 3.539 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000346699870 1025022829 /nfs/dbraw/zinc/02/28/29/1025022829.db2.gz FCXNWDTUMYHBSS-SFHVURJKSA-N 1 2 326.465 3.756 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000346699870 1025022842 /nfs/dbraw/zinc/02/28/42/1025022842.db2.gz FCXNWDTUMYHBSS-SFHVURJKSA-N 1 2 326.465 3.756 20 30 EHEDLO Cc1c(Cl)cccc1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330352718 1025098284 /nfs/dbraw/zinc/09/82/84/1025098284.db2.gz NQYWIZDYLCPHKG-MLGOLLRUSA-N 1 2 348.834 3.628 20 30 EHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000466969789 1025438955 /nfs/dbraw/zinc/43/89/55/1025438955.db2.gz TUUSFXUHSGVZHW-IAGOWNOFSA-N 1 2 340.448 3.806 20 30 EHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000466969789 1025438960 /nfs/dbraw/zinc/43/89/60/1025438960.db2.gz TUUSFXUHSGVZHW-IAGOWNOFSA-N 1 2 340.448 3.806 20 30 EHEDLO CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2cc(C#N)cs2)cc1 ZINC000119988044 1025595021 /nfs/dbraw/zinc/59/50/21/1025595021.db2.gz KPFFIBHYCUSBJW-CQSZACIVSA-N 1 2 341.480 3.621 20 30 EHEDLO CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2cc(C#N)cs2)cc1 ZINC000119988044 1025595035 /nfs/dbraw/zinc/59/50/35/1025595035.db2.gz KPFFIBHYCUSBJW-CQSZACIVSA-N 1 2 341.480 3.621 20 30 EHEDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329205623 1025664338 /nfs/dbraw/zinc/66/43/38/1025664338.db2.gz DLKAFFUZMRZIEI-SWLSCSKDSA-N 1 2 342.468 3.698 20 30 EHEDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329205623 1025664343 /nfs/dbraw/zinc/66/43/43/1025664343.db2.gz DLKAFFUZMRZIEI-SWLSCSKDSA-N 1 2 342.468 3.698 20 30 EHEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000184889040 1025666586 /nfs/dbraw/zinc/66/65/86/1025666586.db2.gz COMJPVCXJSYWFO-AWEZNQCLSA-N 1 2 346.390 3.503 20 30 EHEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000451211124 1025680913 /nfs/dbraw/zinc/68/09/13/1025680913.db2.gz LDLLCJZMLVKPTJ-UHFFFAOYSA-N 1 2 345.406 3.647 20 30 EHEDLO N#Cc1cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000425548096 1025712379 /nfs/dbraw/zinc/71/23/79/1025712379.db2.gz JRAOJCHKGKUFET-QZTJIDSGSA-N 1 2 330.790 3.659 20 30 EHEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ccc1F ZINC000425548096 1025712401 /nfs/dbraw/zinc/71/24/01/1025712401.db2.gz JRAOJCHKGKUFET-QZTJIDSGSA-N 1 2 330.790 3.659 20 30 EHEDLO C[C@@H]1CC[C@H](c2ccccc2)N(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329510902 1025945075 /nfs/dbraw/zinc/94/50/75/1025945075.db2.gz BVULGHVDMUKITO-BPQIPLTHSA-N 1 2 338.455 3.585 20 30 EHEDLO O=C(C[C@H]1CCOC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329555440 1025997584 /nfs/dbraw/zinc/99/75/84/1025997584.db2.gz DRNVWSVLKRHOCR-CQSZACIVSA-N 1 2 325.412 3.901 20 30 EHEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCCc3occc3C2)cc1C ZINC000329591484 1026042405 /nfs/dbraw/zinc/04/24/05/1026042405.db2.gz YYVZUROMDRIYFA-UHFFFAOYSA-N 1 2 341.411 3.833 20 30 EHEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCCc3occc3C2)cc1C ZINC000329591484 1026042426 /nfs/dbraw/zinc/04/24/26/1026042426.db2.gz YYVZUROMDRIYFA-UHFFFAOYSA-N 1 2 341.411 3.833 20 30 EHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000375698957 1026143878 /nfs/dbraw/zinc/14/38/78/1026143878.db2.gz VWIUYWHNDSCPSR-UHFFFAOYSA-N 1 2 334.448 3.749 20 30 EHEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000934469218 1026264156 /nfs/dbraw/zinc/26/41/56/1026264156.db2.gz QUFRYOKCRGMBAH-VIFPVBQESA-N 1 2 340.246 3.711 20 30 EHEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000934469218 1026264169 /nfs/dbraw/zinc/26/41/69/1026264169.db2.gz QUFRYOKCRGMBAH-VIFPVBQESA-N 1 2 340.246 3.711 20 30 EHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451881379 1026350341 /nfs/dbraw/zinc/35/03/41/1026350341.db2.gz POTHAGVRFJQRQI-LBPRGKRZSA-N 1 2 345.796 3.528 20 30 EHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451881379 1026350351 /nfs/dbraw/zinc/35/03/51/1026350351.db2.gz POTHAGVRFJQRQI-LBPRGKRZSA-N 1 2 345.796 3.528 20 30 EHEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc1 ZINC000186316892 1026482460 /nfs/dbraw/zinc/48/24/60/1026482460.db2.gz GYGZFCWCMFGNQN-UHFFFAOYSA-N 1 2 348.450 3.525 20 30 EHEDLO Cc1c[nH+]c(CN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)n1C ZINC000342782322 1027027884 /nfs/dbraw/zinc/02/78/84/1027027884.db2.gz OVOYYAJFHJILGC-UHFFFAOYSA-N 1 2 348.425 3.942 20 30 EHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000342838657 1027555589 /nfs/dbraw/zinc/55/55/89/1027555589.db2.gz IBGMMVXFLIAVGM-LBPRGKRZSA-N 1 2 332.860 3.551 20 30 EHEDLO Cc1cc(CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc(C)[nH+]1 ZINC000422211109 1027641519 /nfs/dbraw/zinc/64/15/19/1027641519.db2.gz PGEFGYQQAWZVRM-UHFFFAOYSA-N 1 2 336.439 3.690 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccccc1 ZINC000430060708 1027727251 /nfs/dbraw/zinc/72/72/51/1027727251.db2.gz NUCNNQHIFUCISF-UHFFFAOYSA-N 1 2 332.451 3.905 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccccc1 ZINC000430060708 1027727268 /nfs/dbraw/zinc/72/72/68/1027727268.db2.gz NUCNNQHIFUCISF-UHFFFAOYSA-N 1 2 332.451 3.905 20 30 EHEDLO C=CCOc1ccccc1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455485311 1028253800 /nfs/dbraw/zinc/25/38/00/1028253800.db2.gz RAMFKZGDCBLBKI-UHFFFAOYSA-N 1 2 325.412 3.893 20 30 EHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000444801581 1028271340 /nfs/dbraw/zinc/27/13/40/1028271340.db2.gz LHXPKJVSGAVIDY-HKUYNNGSSA-N 1 2 345.874 3.675 20 30 EHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000444801581 1028271356 /nfs/dbraw/zinc/27/13/56/1028271356.db2.gz LHXPKJVSGAVIDY-HKUYNNGSSA-N 1 2 345.874 3.675 20 30 EHEDLO C=C(CC)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455523565 1028297521 /nfs/dbraw/zinc/29/75/21/1028297521.db2.gz ONRYFIHDJFMFDM-GOSISDBHSA-N 1 2 326.444 3.507 20 30 EHEDLO COc1cc(F)c(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)cc1OC ZINC000760268946 1028534740 /nfs/dbraw/zinc/53/47/40/1028534740.db2.gz CZCKERAKVPDJGW-FPLPWBNLSA-N 1 2 340.354 3.695 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000245549102 1028815048 /nfs/dbraw/zinc/81/50/48/1028815048.db2.gz YWQLRWPAAIONOJ-FOIQADDNSA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000245549102 1028815066 /nfs/dbraw/zinc/81/50/66/1028815066.db2.gz YWQLRWPAAIONOJ-FOIQADDNSA-N 1 2 340.398 3.690 20 30 EHEDLO N#Cc1cnccc1C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC001167658585 1029182175 /nfs/dbraw/zinc/18/21/75/1029182175.db2.gz IYQYCXJIAPROCC-IBGZPJMESA-N 1 2 349.459 3.751 20 30 EHEDLO N#Cc1cnccc1C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC001167658585 1029182178 /nfs/dbraw/zinc/18/21/78/1029182178.db2.gz IYQYCXJIAPROCC-IBGZPJMESA-N 1 2 349.459 3.751 20 30 EHEDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)cnc3c(C)cc(C)cc31)CCC2 ZINC000533101699 1029306858 /nfs/dbraw/zinc/30/68/58/1029306858.db2.gz VWYAHBKNNANFHG-MRXNPFEDSA-N 1 2 345.450 3.640 20 30 EHEDLO CCn1c2ccccc2nc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548792777 1029668253 /nfs/dbraw/zinc/66/82/53/1029668253.db2.gz BHRBIZIMZATBPR-UHFFFAOYSA-N 1 2 345.450 3.509 20 30 EHEDLO N#CCc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000455701606 1029849536 /nfs/dbraw/zinc/84/95/36/1029849536.db2.gz JYFDLTFPKSDAMX-UHFFFAOYSA-N 1 2 343.818 3.541 20 30 EHEDLO COc1cc(C)[nH+]c(CSc2nc3c(cc2C#N)CCCC3)c1 ZINC000533807365 1029856353 /nfs/dbraw/zinc/85/63/53/1029856353.db2.gz YCCJYELVMGGJRL-UHFFFAOYSA-N 1 2 325.437 3.836 20 30 EHEDLO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1cccs1)c1cccc(C#N)c1O ZINC000925300805 1029967604 /nfs/dbraw/zinc/96/76/04/1029967604.db2.gz XXDNEOIUXSMEEE-UHOFOFEASA-N 1 2 330.453 3.878 20 30 EHEDLO CCc1oc2ccccc2c1C[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343301457 1030172758 /nfs/dbraw/zinc/17/27/58/1030172758.db2.gz GLSAOMARCRNDAP-HXUWFJFHSA-N 1 2 347.418 3.525 20 30 EHEDLO CCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343301457 1030172764 /nfs/dbraw/zinc/17/27/64/1030172764.db2.gz GLSAOMARCRNDAP-HXUWFJFHSA-N 1 2 347.418 3.525 20 30 EHEDLO CCc1oc2ccccc2c1C[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343301453 1030173061 /nfs/dbraw/zinc/17/30/61/1030173061.db2.gz GLSAOMARCRNDAP-FQEVSTJZSA-N 1 2 347.418 3.525 20 30 EHEDLO CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343301453 1030173067 /nfs/dbraw/zinc/17/30/67/1030173067.db2.gz GLSAOMARCRNDAP-FQEVSTJZSA-N 1 2 347.418 3.525 20 30 EHEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000347410348 1030319345 /nfs/dbraw/zinc/31/93/45/1030319345.db2.gz ASACOHFNIHLNHU-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO N#Cc1cccc(NC(=O)CC[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000347410348 1030319362 /nfs/dbraw/zinc/31/93/62/1030319362.db2.gz ASACOHFNIHLNHU-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO CCc1ccc([C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)CCO2)cc1 ZINC000483429474 1031161565 /nfs/dbraw/zinc/16/15/65/1031161565.db2.gz RHVFMNPBVCGYRI-OAQYLSRUSA-N 1 2 336.435 3.703 20 30 EHEDLO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)CCO2)cc1 ZINC000483429474 1031161567 /nfs/dbraw/zinc/16/15/67/1031161567.db2.gz RHVFMNPBVCGYRI-OAQYLSRUSA-N 1 2 336.435 3.703 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)ccc1Cl ZINC000483584150 1031233940 /nfs/dbraw/zinc/23/39/40/1031233940.db2.gz RQZNGGTWJOFGDZ-UHFFFAOYSA-N 1 2 344.842 3.869 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)ccc1Cl ZINC000483584150 1031233951 /nfs/dbraw/zinc/23/39/51/1031233951.db2.gz RQZNGGTWJOFGDZ-UHFFFAOYSA-N 1 2 344.842 3.869 20 30 EHEDLO C=CCN(CC=C)C(=O)c1ccc(NCc2cccc3[nH+]ccn32)cc1 ZINC000195119769 1032043020 /nfs/dbraw/zinc/04/30/20/1032043020.db2.gz KCSWNYYKOFLNKY-UHFFFAOYSA-N 1 2 346.434 3.761 20 30 EHEDLO CC[C@H](CC#N)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000594612747 1033478220 /nfs/dbraw/zinc/47/82/20/1033478220.db2.gz QIIRFWIUJXOZMV-OAHLLOKOSA-N 1 2 347.260 3.725 20 30 EHEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599084576 1033724641 /nfs/dbraw/zinc/72/46/41/1033724641.db2.gz ZEYDIFRFMGNUKT-KRWDZBQOSA-N 1 2 344.462 3.918 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000046228938 1033738697 /nfs/dbraw/zinc/73/86/97/1033738697.db2.gz SPGMMTOEAGVLCG-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000595306515 1033739073 /nfs/dbraw/zinc/73/90/73/1033739073.db2.gz NQVLSLSFBYCYGK-LJQANCHMSA-N 1 2 344.817 3.967 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000595306515 1033739086 /nfs/dbraw/zinc/73/90/86/1033739086.db2.gz NQVLSLSFBYCYGK-LJQANCHMSA-N 1 2 344.817 3.967 20 30 EHEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472351092 1033777951 /nfs/dbraw/zinc/77/79/51/1033777951.db2.gz VSUPGHYMRYTRLU-SFHVURJKSA-N 1 2 347.422 3.674 20 30 EHEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472351092 1033777958 /nfs/dbraw/zinc/77/79/58/1033777958.db2.gz VSUPGHYMRYTRLU-SFHVURJKSA-N 1 2 347.422 3.674 20 30 EHEDLO CCc1sc(-c2nnc(C[N@@H+]3CCC[C@@H](CC#N)C3)o2)cc1C ZINC000595610179 1033922367 /nfs/dbraw/zinc/92/23/67/1033922367.db2.gz STQOHRUQDOGMMX-ZDUSSCGKSA-N 1 2 330.457 3.795 20 30 EHEDLO CCc1sc(-c2nnc(C[N@H+]3CCC[C@@H](CC#N)C3)o2)cc1C ZINC000595610179 1033922376 /nfs/dbraw/zinc/92/23/76/1033922376.db2.gz STQOHRUQDOGMMX-ZDUSSCGKSA-N 1 2 330.457 3.795 20 30 EHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3ccco3)CC2)cc1Cl ZINC000595615995 1033928159 /nfs/dbraw/zinc/92/81/59/1033928159.db2.gz PBXQAQDJEXVJGQ-UHFFFAOYSA-N 1 2 343.814 3.623 20 30 EHEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595704342 1033953185 /nfs/dbraw/zinc/95/31/85/1033953185.db2.gz PPMGHIILLKPFAR-PMACEKPBSA-N 1 2 349.409 3.640 20 30 EHEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595704342 1033953193 /nfs/dbraw/zinc/95/31/93/1033953193.db2.gz PPMGHIILLKPFAR-PMACEKPBSA-N 1 2 349.409 3.640 20 30 EHEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)(C)C ZINC000603831618 1033958200 /nfs/dbraw/zinc/95/82/00/1033958200.db2.gz CSZNWLYHSKSETQ-KRWDZBQOSA-N 1 2 341.499 3.665 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1 ZINC000599626130 1034072018 /nfs/dbraw/zinc/07/20/18/1034072018.db2.gz UKEPOKSSWHEUBT-UHFFFAOYSA-N 1 2 334.398 3.501 20 30 EHEDLO N#C[C@H](C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1nc(C2CC2)cs1 ZINC000647379775 1034123445 /nfs/dbraw/zinc/12/34/45/1034123445.db2.gz MUJNXKLYRCNIDJ-MRXNPFEDSA-N 1 2 348.431 3.755 20 30 EHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)nc1 ZINC000529578766 1034210241 /nfs/dbraw/zinc/21/02/41/1034210241.db2.gz PQMHKAWKVNBHAM-LBPRGKRZSA-N 1 2 349.768 3.538 20 30 EHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)nc1 ZINC000529578766 1034210258 /nfs/dbraw/zinc/21/02/58/1034210258.db2.gz PQMHKAWKVNBHAM-LBPRGKRZSA-N 1 2 349.768 3.538 20 30 EHEDLO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000596597770 1034312251 /nfs/dbraw/zinc/31/22/51/1034312251.db2.gz FQEBJOCZCRNNOO-UHFFFAOYSA-N 1 2 328.847 3.530 20 30 EHEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000596597770 1034312262 /nfs/dbraw/zinc/31/22/62/1034312262.db2.gz FQEBJOCZCRNNOO-UHFFFAOYSA-N 1 2 328.847 3.530 20 30 EHEDLO C=CCC1(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCCC1 ZINC000456363100 1034383771 /nfs/dbraw/zinc/38/37/71/1034383771.db2.gz IJTPDIZJRLODSL-IAGOWNOFSA-N 1 2 327.472 3.549 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597005457 1034488515 /nfs/dbraw/zinc/48/85/15/1034488515.db2.gz VSPUGRCZBAOFFK-UHFFFAOYSA-N 1 2 332.403 3.544 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597005457 1034488526 /nfs/dbraw/zinc/48/85/26/1034488526.db2.gz VSPUGRCZBAOFFK-UHFFFAOYSA-N 1 2 332.403 3.544 20 30 EHEDLO CCCCn1c(SCC2(C#N)CCC2)nnc1[C@@H](CC)[NH+](C)C ZINC000450590120 1034561935 /nfs/dbraw/zinc/56/19/35/1034561935.db2.gz IBIMMDFXVOLSSW-CQSZACIVSA-N 1 2 335.521 3.877 20 30 EHEDLO N#C[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000597340939 1034682464 /nfs/dbraw/zinc/68/24/64/1034682464.db2.gz AMDFKLKVEOSXCA-ZWKOTPCHSA-N 1 2 336.439 3.520 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060604361 1034825372 /nfs/dbraw/zinc/82/53/72/1034825372.db2.gz ITPAXLTWTAEXEM-UHFFFAOYSA-N 1 2 337.448 3.821 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1OCCCC#N ZINC000612406108 1034898269 /nfs/dbraw/zinc/89/82/69/1034898269.db2.gz IKWCSKJLBAYFLE-IBGZPJMESA-N 1 2 327.428 3.503 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1OCCCC#N ZINC000612406108 1034898272 /nfs/dbraw/zinc/89/82/72/1034898272.db2.gz IKWCSKJLBAYFLE-IBGZPJMESA-N 1 2 327.428 3.503 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000492359669 1035696983 /nfs/dbraw/zinc/69/69/83/1035696983.db2.gz XXAIDACLZLYPMP-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCc3ccccc3C2)c1 ZINC000492359669 1035696996 /nfs/dbraw/zinc/69/69/96/1035696996.db2.gz XXAIDACLZLYPMP-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#CCCCCCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000588351797 1035905462 /nfs/dbraw/zinc/90/54/62/1035905462.db2.gz QRZFMTHHUBDOCO-UHFFFAOYSA-N 1 2 328.460 3.552 20 30 EHEDLO NC(=[NH+]OCc1nccs1)c1ccc(OCc2ccccc2)cc1 ZINC000161285569 1036518236 /nfs/dbraw/zinc/51/82/36/1036518236.db2.gz MWVFIFGERQEEEK-UHFFFAOYSA-N 1 2 339.420 3.559 20 30 EHEDLO N#Cc1ccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1Cl ZINC000589949370 1036675163 /nfs/dbraw/zinc/67/51/63/1036675163.db2.gz PLXDXIWIAQEARB-MRXNPFEDSA-N 1 2 329.835 3.741 20 30 EHEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000541952223 1036890368 /nfs/dbraw/zinc/89/03/68/1036890368.db2.gz LMFYTNHSALYAQX-LSDHHAIUSA-N 1 2 349.434 3.513 20 30 EHEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]2C ZINC000541952223 1036890389 /nfs/dbraw/zinc/89/03/89/1036890389.db2.gz LMFYTNHSALYAQX-LSDHHAIUSA-N 1 2 349.434 3.513 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(Cl)c1C ZINC000491423963 1037452277 /nfs/dbraw/zinc/45/22/77/1037452277.db2.gz QINYVDVQAWWOKX-UHFFFAOYSA-N 1 2 332.831 3.911 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(Cl)c1C ZINC000491423963 1037452298 /nfs/dbraw/zinc/45/22/98/1037452298.db2.gz QINYVDVQAWWOKX-UHFFFAOYSA-N 1 2 332.831 3.911 20 30 EHEDLO Cc1cccc(C2=CC[N@H+](CC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000540044919 1037511902 /nfs/dbraw/zinc/51/19/02/1037511902.db2.gz SOGPCFWQXKBLHN-UHFFFAOYSA-N 1 2 331.419 3.595 20 30 EHEDLO Cc1cccc(C2=CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000540044919 1037511914 /nfs/dbraw/zinc/51/19/14/1037511914.db2.gz SOGPCFWQXKBLHN-UHFFFAOYSA-N 1 2 331.419 3.595 20 30 EHEDLO C#CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000760858084 1037543612 /nfs/dbraw/zinc/54/36/12/1037543612.db2.gz XESVVERQTCVXJC-OAHLLOKOSA-N 1 2 325.239 3.810 20 30 EHEDLO C#CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000760858084 1037543600 /nfs/dbraw/zinc/54/36/00/1037543600.db2.gz XESVVERQTCVXJC-OAHLLOKOSA-N 1 2 325.239 3.810 20 30 EHEDLO CC[C@H]([NH2+]Cc1nnc(C(C)(C)C)s1)c1cccc(C#N)c1O ZINC000925519539 1038030976 /nfs/dbraw/zinc/03/09/76/1038030976.db2.gz SJDQUXHYHCTXBK-ZDUSSCGKSA-N 1 2 330.457 3.654 20 30 EHEDLO CC[C@@H]([NH2+]Cc1ccccc1OCCOC)c1cccc(C#N)c1O ZINC000924732845 1039070679 /nfs/dbraw/zinc/07/06/79/1039070679.db2.gz ANBWZSUFQOEXPS-GOSISDBHSA-N 1 2 340.423 3.530 20 30 EHEDLO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cn2)c2ccc(F)cc2)cc1 ZINC000554363929 1039267809 /nfs/dbraw/zinc/26/78/09/1039267809.db2.gz UMSIHURUSFAGQD-NRFANRHFSA-N 1 2 347.393 3.980 20 30 EHEDLO C=CCn1cccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000488833991 1039435818 /nfs/dbraw/zinc/43/58/18/1039435818.db2.gz WMSJNUGQMCXBFE-UHFFFAOYSA-N 1 2 344.418 3.842 20 30 EHEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000906389063 1039538720 /nfs/dbraw/zinc/53/87/20/1039538720.db2.gz KJBQKRCYIZZNFP-IRXDYDNUSA-N 1 2 325.412 3.613 20 30 EHEDLO N#Cc1c(NC(=O)C[N@@H+]2CCCC3(CC3)C2)sc2c1CCCCC2 ZINC000473430824 1040001682 /nfs/dbraw/zinc/00/16/82/1040001682.db2.gz ABGJZIPKEFNOSL-UHFFFAOYSA-N 1 2 343.496 3.703 20 30 EHEDLO N#Cc1c(NC(=O)C[N@H+]2CCCC3(CC3)C2)sc2c1CCCCC2 ZINC000473430824 1040001700 /nfs/dbraw/zinc/00/17/00/1040001700.db2.gz ABGJZIPKEFNOSL-UHFFFAOYSA-N 1 2 343.496 3.703 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000489506466 1040049582 /nfs/dbraw/zinc/04/95/82/1040049582.db2.gz HDWBBPQGGUMHEF-AWEZNQCLSA-N 1 2 328.378 3.890 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000489506466 1040049600 /nfs/dbraw/zinc/04/96/00/1040049600.db2.gz HDWBBPQGGUMHEF-AWEZNQCLSA-N 1 2 328.378 3.890 20 30 EHEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489539615 1040060264 /nfs/dbraw/zinc/06/02/64/1040060264.db2.gz RNBINZDGKMJNGF-JKSUJKDBSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489539615 1040060279 /nfs/dbraw/zinc/06/02/79/1040060279.db2.gz RNBINZDGKMJNGF-JKSUJKDBSA-N 1 2 338.854 3.943 20 30 EHEDLO N#Cc1cccc(C[N@H+]2CCc3c(Br)cccc3C2)c1 ZINC000512595410 1040235321 /nfs/dbraw/zinc/23/53/21/1040235321.db2.gz OXDREJFRARVILW-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1cccc(C[N@@H+]2CCc3c(Br)cccc3C2)c1 ZINC000512595410 1040235340 /nfs/dbraw/zinc/23/53/40/1040235340.db2.gz OXDREJFRARVILW-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000278829275 1040242123 /nfs/dbraw/zinc/24/21/23/1040242123.db2.gz URORXXYZKVIIIB-OXQOHEQNSA-N 1 2 349.434 3.522 20 30 EHEDLO C=CC(C)(C)CCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000600164989 1040773564 /nfs/dbraw/zinc/77/35/64/1040773564.db2.gz NGHWZVQQPHRQOY-UHFFFAOYSA-N 1 2 331.485 3.594 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433296440 1041249887 /nfs/dbraw/zinc/24/98/87/1041249887.db2.gz IFFUIBKIUCLTLJ-INIZCTEOSA-N 1 2 339.826 3.640 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433296440 1041249906 /nfs/dbraw/zinc/24/99/06/1041249906.db2.gz IFFUIBKIUCLTLJ-INIZCTEOSA-N 1 2 339.826 3.640 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC000555877559 1041285508 /nfs/dbraw/zinc/28/55/08/1041285508.db2.gz WOGPWPSWAXBMFP-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC000555877559 1041285522 /nfs/dbraw/zinc/28/55/22/1041285522.db2.gz WOGPWPSWAXBMFP-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000571414202 1041290481 /nfs/dbraw/zinc/29/04/81/1041290481.db2.gz IMIUXGDEMHDNOV-UHFFFAOYSA-N 1 2 345.450 3.696 20 30 EHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000571414202 1041290486 /nfs/dbraw/zinc/29/04/86/1041290486.db2.gz IMIUXGDEMHDNOV-UHFFFAOYSA-N 1 2 345.450 3.696 20 30 EHEDLO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000198912451 1041773693 /nfs/dbraw/zinc/77/36/93/1041773693.db2.gz CLZHQNCYIGEAFG-UHFFFAOYSA-N 1 2 325.343 3.626 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@@H](C)COC ZINC000661244781 1042026112 /nfs/dbraw/zinc/02/61/12/1042026112.db2.gz YFFNOHQSBVWTIC-KRWDZBQOSA-N 1 2 338.451 3.815 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@@H](C)COC ZINC000661244781 1042026117 /nfs/dbraw/zinc/02/61/17/1042026117.db2.gz YFFNOHQSBVWTIC-KRWDZBQOSA-N 1 2 338.451 3.815 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000005292963 1042375131 /nfs/dbraw/zinc/37/51/31/1042375131.db2.gz UKOPGUYTSPTTMC-JZQBQCRLSA-N 1 2 339.395 3.556 20 30 EHEDLO CC(C)(CCC#N)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000599941930 1042589573 /nfs/dbraw/zinc/58/95/73/1042589573.db2.gz MMZUOANHKWKDFF-KRWDZBQOSA-N 1 2 347.890 3.751 20 30 EHEDLO CC(C)(CCC#N)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000599941930 1042589575 /nfs/dbraw/zinc/58/95/75/1042589575.db2.gz MMZUOANHKWKDFF-KRWDZBQOSA-N 1 2 347.890 3.751 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000279025021 1043214507 /nfs/dbraw/zinc/21/45/07/1043214507.db2.gz WDNOAQVPPSRAOB-WDEREUQCSA-N 1 2 349.422 3.626 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(N(C)C)s1 ZINC000348872787 1043845394 /nfs/dbraw/zinc/84/53/94/1043845394.db2.gz CQAJYBXBHBQUDC-UHFFFAOYSA-N 1 2 333.505 3.565 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(N(C)C)s1 ZINC000348872787 1043845410 /nfs/dbraw/zinc/84/54/10/1043845410.db2.gz CQAJYBXBHBQUDC-UHFFFAOYSA-N 1 2 333.505 3.565 20 30 EHEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000172024253 1126774493 /nfs/dbraw/zinc/77/44/93/1126774493.db2.gz DBCXBOVJEBPYNR-QGZVFWFLSA-N 1 2 336.782 3.520 20 30 EHEDLO Brc1ccsc1C=NNc1cc[nH+]c2ccccc12 ZINC000764911022 1127550653 /nfs/dbraw/zinc/55/06/53/1127550653.db2.gz YWNJDDILUGCMOA-UHFFFAOYSA-N 1 2 332.226 3.927 20 30 EHEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921658809 1128439095 /nfs/dbraw/zinc/43/90/95/1128439095.db2.gz CXBAHAJMTVUBFP-LJQANCHMSA-N 1 2 327.428 3.861 20 30 EHEDLO Cc1cc(NC[C@@H](C)Cn2cc[nH+]c2)n2c3ccccc3nc2c1C#N ZINC000301156388 1128576102 /nfs/dbraw/zinc/57/61/02/1128576102.db2.gz NIAMWWQIDUQRFZ-CQSZACIVSA-N 1 2 344.422 3.612 20 30 EHEDLO CC[N@@H+](c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1)C(C)C ZINC000301670496 1128601943 /nfs/dbraw/zinc/60/19/43/1128601943.db2.gz YQTJDQRFLUIKPP-UHFFFAOYSA-N 1 2 325.372 3.840 20 30 EHEDLO CC[N@H+](c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1)C(C)C ZINC000301670496 1128601946 /nfs/dbraw/zinc/60/19/46/1128601946.db2.gz YQTJDQRFLUIKPP-UHFFFAOYSA-N 1 2 325.372 3.840 20 30 EHEDLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000108715298 1128660129 /nfs/dbraw/zinc/66/01/29/1128660129.db2.gz METPTJWDEOCTEF-CYBMUJFWSA-N 1 2 345.368 3.859 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1cccs1 ZINC000620643796 1128802721 /nfs/dbraw/zinc/80/27/21/1128802721.db2.gz FZUSNFMRWCJWDT-CQSZACIVSA-N 1 2 332.444 3.753 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1cccs1 ZINC000620643796 1128802724 /nfs/dbraw/zinc/80/27/24/1128802724.db2.gz FZUSNFMRWCJWDT-CQSZACIVSA-N 1 2 332.444 3.753 20 30 EHEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC001168686170 1128827375 /nfs/dbraw/zinc/82/73/75/1128827375.db2.gz PXOLTYGCCXYVFB-NSHDSACASA-N 1 2 347.321 3.919 20 30 EHEDLO COCC[N@H+](Cc1ncc(-c2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000063754517 1128896599 /nfs/dbraw/zinc/89/65/99/1128896599.db2.gz QTKOSBVDAVHMQM-UHFFFAOYSA-N 1 2 347.418 3.862 20 30 EHEDLO COCC[N@@H+](Cc1ncc(-c2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000063754517 1128896605 /nfs/dbraw/zinc/89/66/05/1128896605.db2.gz QTKOSBVDAVHMQM-UHFFFAOYSA-N 1 2 347.418 3.862 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)CC(C)C)c1=S ZINC000153074859 1120584896 /nfs/dbraw/zinc/58/48/96/1120584896.db2.gz BKKQLWMXNAWXNB-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)CC(C)C)c1=S ZINC000153074859 1120584898 /nfs/dbraw/zinc/58/48/98/1120584898.db2.gz BKKQLWMXNAWXNB-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CC[N@@H+](CCOC)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000191085370 1120660725 /nfs/dbraw/zinc/66/07/25/1120660725.db2.gz ALTGORIUZZEQLX-UHFFFAOYSA-N 1 2 332.469 3.843 20 30 EHEDLO C=CC[N@H+](CCOC)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000191085370 1120660728 /nfs/dbraw/zinc/66/07/28/1120660728.db2.gz ALTGORIUZZEQLX-UHFFFAOYSA-N 1 2 332.469 3.843 20 30 EHEDLO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000153540136 1121290615 /nfs/dbraw/zinc/29/06/15/1121290615.db2.gz ZZUGYFGATVFLBK-GFCCVEGCSA-N 1 2 343.452 3.551 20 30 EHEDLO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000153540136 1121290619 /nfs/dbraw/zinc/29/06/19/1121290619.db2.gz ZZUGYFGATVFLBK-GFCCVEGCSA-N 1 2 343.452 3.551 20 30 EHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615231818 1123389397 /nfs/dbraw/zinc/38/93/97/1123389397.db2.gz BSTXSLKKWZZXFC-AWEZNQCLSA-N 1 2 332.753 3.755 20 30 EHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615231818 1123389399 /nfs/dbraw/zinc/38/93/99/1123389399.db2.gz BSTXSLKKWZZXFC-AWEZNQCLSA-N 1 2 332.753 3.755 20 30 EHEDLO CC1(C)CC(=O)C(=CNc2ccc([NH+]3CCCCC3)cc2)C(=O)C1 ZINC000920975294 1123449222 /nfs/dbraw/zinc/44/92/22/1123449222.db2.gz CKJXOIAPAWQFSH-UHFFFAOYSA-N 1 2 326.440 3.931 20 30 EHEDLO CCOc1c(C[N@H+](C)Cc2cccc(C#N)c2)c(C)nn1CC(C)C ZINC000130742931 1123477760 /nfs/dbraw/zinc/47/77/60/1123477760.db2.gz DSTBNTUAOKSURC-UHFFFAOYSA-N 1 2 340.471 3.750 20 30 EHEDLO CCOc1c(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)nn1CC(C)C ZINC000130742931 1123477765 /nfs/dbraw/zinc/47/77/65/1123477765.db2.gz DSTBNTUAOKSURC-UHFFFAOYSA-N 1 2 340.471 3.750 20 30 EHEDLO CCc1c(C)sc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1C#N ZINC000068677178 1123998073 /nfs/dbraw/zinc/99/80/73/1123998073.db2.gz OXIHKOJORLVGRM-UHFFFAOYSA-N 1 2 338.436 3.628 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000619287038 1125329947 /nfs/dbraw/zinc/32/99/47/1125329947.db2.gz PESOQRVLXYIISP-XJKSGUPXSA-N 1 2 348.372 3.825 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000619287038 1125329951 /nfs/dbraw/zinc/32/99/51/1125329951.db2.gz PESOQRVLXYIISP-XJKSGUPXSA-N 1 2 348.372 3.825 20 30 EHEDLO C[C@@H](c1cccnc1)[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784632 1125403896 /nfs/dbraw/zinc/40/38/96/1125403896.db2.gz GUYBKFIRFCWGEE-HNAYVOBHSA-N 1 2 340.858 3.678 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000735920708 1131391505 /nfs/dbraw/zinc/39/15/05/1131391505.db2.gz YTTNUOPUZYMQNY-GOSISDBHSA-N 1 2 340.398 3.839 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000735920708 1131391510 /nfs/dbraw/zinc/39/15/10/1131391510.db2.gz YTTNUOPUZYMQNY-GOSISDBHSA-N 1 2 340.398 3.839 20 30 EHEDLO O=[N+]([O-])c1cc(C=NNc2cc[nH+]c3ccccc23)ccc1Cl ZINC000730148613 1130679463 /nfs/dbraw/zinc/67/94/63/1130679463.db2.gz ZLAFSYFXBYAQTQ-UHFFFAOYSA-N 1 2 326.743 3.664 20 30 EHEDLO N#Cc1ccc(OCCCO[NH+]=C(N)Cc2ccc(Cl)cc2)cc1 ZINC000732194770 1130891809 /nfs/dbraw/zinc/89/18/09/1130891809.db2.gz ZXKHNJKNZUWNTK-UHFFFAOYSA-N 1 2 343.814 3.722 20 30 EHEDLO CC[C@](C)(C#N)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172531850 1131756634 /nfs/dbraw/zinc/75/66/34/1131756634.db2.gz VHDKUIHBZNORLQ-CTAFRAEOSA-N 1 2 339.483 3.599 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000742776510 1131791078 /nfs/dbraw/zinc/79/10/78/1131791078.db2.gz DDTSMKAZHNCUSI-HNNXBMFYSA-N 1 2 341.480 3.630 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000742776510 1131791081 /nfs/dbraw/zinc/79/10/81/1131791081.db2.gz DDTSMKAZHNCUSI-HNNXBMFYSA-N 1 2 341.480 3.630 20 30 EHEDLO C=CCOc1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000742860757 1131807754 /nfs/dbraw/zinc/80/77/54/1131807754.db2.gz GKRYNYSAXINDAR-UHFFFAOYSA-N 1 2 334.375 3.715 20 30 EHEDLO CCc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc(CC)c1C#N ZINC001174979463 1132534111 /nfs/dbraw/zinc/53/41/11/1132534111.db2.gz KOFIBIQXMPQZGO-UHFFFAOYSA-N 1 2 336.439 3.658 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccccc2C)CC1 ZINC000739913980 1132783246 /nfs/dbraw/zinc/78/32/46/1132783246.db2.gz FSCVRJDPRNJVFV-NRFANRHFSA-N 1 2 348.446 3.960 20 30 EHEDLO COc1ccc(-c2cc(C[N@H+](C)Cc3cc(C#N)cs3)on2)cc1 ZINC000768238234 1133112833 /nfs/dbraw/zinc/11/28/33/1133112833.db2.gz XMRBTWDHTPNUFT-UHFFFAOYSA-N 1 2 339.420 3.915 20 30 EHEDLO COc1ccc(-c2cc(C[N@@H+](C)Cc3cc(C#N)cs3)on2)cc1 ZINC000768238234 1133112837 /nfs/dbraw/zinc/11/28/37/1133112837.db2.gz XMRBTWDHTPNUFT-UHFFFAOYSA-N 1 2 339.420 3.915 20 30 EHEDLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+](CC)C[C@H](C)C#N ZINC001180239132 1133349014 /nfs/dbraw/zinc/34/90/14/1133349014.db2.gz GZPBLFJRODHWBG-CQSZACIVSA-N 1 2 327.428 3.635 20 30 EHEDLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](CC)C[C@H](C)C#N ZINC001180239132 1133349021 /nfs/dbraw/zinc/34/90/21/1133349021.db2.gz GZPBLFJRODHWBG-CQSZACIVSA-N 1 2 327.428 3.635 20 30 EHEDLO Fc1ccc(NN=Cc2cccc3[nH+]ccn32)c(Br)c1 ZINC000771097738 1133509238 /nfs/dbraw/zinc/50/92/38/1133509238.db2.gz PIFMGTDAAZBNFP-UHFFFAOYSA-N 1 2 333.164 3.682 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[C@H](C#N)CC1)c1ccccc1Cl ZINC001182223897 1133598575 /nfs/dbraw/zinc/59/85/75/1133598575.db2.gz NBEHXUZGBQKMPT-IIDMSEBBSA-N 1 2 347.890 3.921 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CC1 ZINC000772383644 1133681006 /nfs/dbraw/zinc/68/10/06/1133681006.db2.gz WTMHWUGRYAJJIP-UHFFFAOYSA-N 1 2 349.434 3.528 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CC1 ZINC000772383644 1133681009 /nfs/dbraw/zinc/68/10/09/1133681009.db2.gz WTMHWUGRYAJJIP-UHFFFAOYSA-N 1 2 349.434 3.528 20 30 EHEDLO C#CC[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)C1CCCCC1 ZINC000785668870 1133740734 /nfs/dbraw/zinc/74/07/34/1133740734.db2.gz AWAIMYYMGMPJKD-UHFFFAOYSA-N 1 2 327.403 3.567 20 30 EHEDLO C#CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)C1CCCCC1 ZINC000785668870 1133740739 /nfs/dbraw/zinc/74/07/39/1133740739.db2.gz AWAIMYYMGMPJKD-UHFFFAOYSA-N 1 2 327.403 3.567 20 30 EHEDLO N#Cc1ccc(-c2ccccc2NC(=O)CCc2ccc(N)[nH+]c2)cc1 ZINC001183934615 1133873826 /nfs/dbraw/zinc/87/38/26/1133873826.db2.gz LOTSLDJLXFXNEX-UHFFFAOYSA-N 1 2 342.402 3.774 20 30 EHEDLO COC(=O)c1cc(Cl)ccc1C(=O)/C=C\c1cccc2[nH+]ccn21 ZINC000787179276 1133967463 /nfs/dbraw/zinc/96/74/63/1133967463.db2.gz OYEKFGANIYHZPH-VURMDHGXSA-N 1 2 340.766 3.670 20 30 EHEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC001170093763 1134196795 /nfs/dbraw/zinc/19/67/95/1134196795.db2.gz FMMWJSYVYNWIBA-QGZVFWFLSA-N 1 2 336.435 3.548 20 30 EHEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC001170093763 1134196798 /nfs/dbraw/zinc/19/67/98/1134196798.db2.gz FMMWJSYVYNWIBA-QGZVFWFLSA-N 1 2 336.435 3.548 20 30 EHEDLO Cc1cccnc1N[NH+]=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000790192998 1134379643 /nfs/dbraw/zinc/37/96/43/1134379643.db2.gz NEJKKTYSRREGBZ-UHFFFAOYSA-N 1 2 339.399 3.735 20 30 EHEDLO N#Cc1ccc(F)c(F)c1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001189750773 1134620844 /nfs/dbraw/zinc/62/08/44/1134620844.db2.gz UZJILZBNALXMCD-UHFFFAOYSA-N 1 2 345.349 3.668 20 30 EHEDLO C#CC[N@@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)OC ZINC000792305203 1134678262 /nfs/dbraw/zinc/67/82/62/1134678262.db2.gz FKHGLWWCHRFWBD-UHFFFAOYSA-N 1 2 344.414 3.753 20 30 EHEDLO C#CC[N@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)OC ZINC000792305203 1134678265 /nfs/dbraw/zinc/67/82/65/1134678265.db2.gz FKHGLWWCHRFWBD-UHFFFAOYSA-N 1 2 344.414 3.753 20 30 EHEDLO COC(=O)c1cc(N=NC(C)C[NH+]2Cc3ccccc3C2)ccc1C ZINC000793089337 1134849105 /nfs/dbraw/zinc/84/91/05/1134849105.db2.gz HVZWTJYHUMCWJR-UHFFFAOYSA-N 1 2 337.423 3.585 20 30 EHEDLO CC(C)[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000775585848 1135120076 /nfs/dbraw/zinc/12/00/76/1135120076.db2.gz KNFCQLAWOXQUEW-UHFFFAOYSA-N 1 2 345.450 3.609 20 30 EHEDLO CC(C)[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000775585848 1135120081 /nfs/dbraw/zinc/12/00/81/1135120081.db2.gz KNFCQLAWOXQUEW-UHFFFAOYSA-N 1 2 345.450 3.609 20 30 EHEDLO Cc1nn(C)c2sc(C(=O)/C=C/c3c[nH+]c4c(C)cccn34)cc12 ZINC000806578837 1135455216 /nfs/dbraw/zinc/45/52/16/1135455216.db2.gz MEHQIVUTBJAMKS-VOTSOKGWSA-N 1 2 336.420 3.795 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC001196788419 1135609678 /nfs/dbraw/zinc/60/96/78/1135609678.db2.gz ADCQESBZJADAQO-NRFANRHFSA-N 1 2 328.419 3.687 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC001196788419 1135609681 /nfs/dbraw/zinc/60/96/81/1135609681.db2.gz ADCQESBZJADAQO-NRFANRHFSA-N 1 2 328.419 3.687 20 30 EHEDLO C#C[C@@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccc(Cl)cc1 ZINC000810178050 1135933951 /nfs/dbraw/zinc/93/39/51/1135933951.db2.gz LTFIOUAYUIASRP-MRXNPFEDSA-N 1 2 338.798 3.792 20 30 EHEDLO C#Cc1cc(Nc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)cc[nH+]1 ZINC001201320023 1136007186 /nfs/dbraw/zinc/00/71/86/1136007186.db2.gz YWBZXUYKKHQYOD-UHFFFAOYSA-N 1 2 349.434 3.522 20 30 EHEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(C#N)cc3F)c2c1 ZINC001201561528 1136040833 /nfs/dbraw/zinc/04/08/33/1136040833.db2.gz KFZJJJKIBRMTIH-UHFFFAOYSA-N 1 2 335.338 3.588 20 30 EHEDLO CC1(C)CC(=[NH+][N-]c2cc[nH+]c3ccccc23)c2cc(N)ccc2O1 ZINC000814841093 1136514651 /nfs/dbraw/zinc/51/46/51/1136514651.db2.gz ANBLZTMAFOMNPH-UHFFFAOYSA-N 1 2 332.407 3.616 20 30 EHEDLO CC1(C)CC(=[NH+]Nc2ccnc3ccccc32)c2cc(N)ccc2O1 ZINC000814841093 1136514653 /nfs/dbraw/zinc/51/46/53/1136514653.db2.gz ANBLZTMAFOMNPH-UHFFFAOYSA-N 1 2 332.407 3.616 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cn(CCCC)nc1C ZINC000853468143 1136534882 /nfs/dbraw/zinc/53/48/82/1136534882.db2.gz OIXKZYBZPJBWPC-UHFFFAOYSA-N 1 2 326.444 3.791 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2ncn(-c3ccccc3OC)c2=S)C1 ZINC000853536957 1136542426 /nfs/dbraw/zinc/54/24/26/1136542426.db2.gz KZGAOLJKEABGFS-HNNXBMFYSA-N 1 2 344.484 3.657 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2ncn(-c3ccccc3OC)c2=S)C1 ZINC000853536957 1136542428 /nfs/dbraw/zinc/54/24/28/1136542428.db2.gz KZGAOLJKEABGFS-HNNXBMFYSA-N 1 2 344.484 3.657 20 30 EHEDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000114802221 1136838134 /nfs/dbraw/zinc/83/81/34/1136838134.db2.gz KOYOVUFGGZSHIR-INIZCTEOSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000114802221 1136838136 /nfs/dbraw/zinc/83/81/36/1136838136.db2.gz KOYOVUFGGZSHIR-INIZCTEOSA-N 1 2 339.439 3.664 20 30 EHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000818347607 1136872710 /nfs/dbraw/zinc/87/27/10/1136872710.db2.gz SRRXRKRFJQPQBV-BFVZDQMLSA-N 1 2 344.224 3.536 20 30 EHEDLO C=CCC1(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)CCOCC1 ZINC000820834359 1137007895 /nfs/dbraw/zinc/00/78/95/1137007895.db2.gz QXUJHXNRMOMCRY-UHFFFAOYSA-N 1 2 340.423 3.597 20 30 EHEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000777100591 1137010478 /nfs/dbraw/zinc/01/04/78/1137010478.db2.gz DAAYLGGQWUSOPT-INIZCTEOSA-N 1 2 332.407 3.626 20 30 EHEDLO CN(CCCn1cc[nH+]c1)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000821489360 1137029792 /nfs/dbraw/zinc/02/97/92/1137029792.db2.gz ZZPKDMZULOOCBA-UHFFFAOYSA-N 1 2 345.472 3.668 20 30 EHEDLO N#Cc1ccc(C2(C(=O)Nc3ccn4cc[nH+]c4c3)CCCC2)cc1 ZINC000861472734 1137108494 /nfs/dbraw/zinc/10/84/94/1137108494.db2.gz OJQKAPBZGAJSQQ-UHFFFAOYSA-N 1 2 330.391 3.656 20 30 EHEDLO N=C(Nc1ccc(F)c(-n2cc[nH+]c2)c1)c1ccc2ccccc2n1 ZINC001171050743 1137130470 /nfs/dbraw/zinc/13/04/70/1137130470.db2.gz AUOVYVINIWLNLH-UHFFFAOYSA-N 1 2 331.354 3.597 20 30 EHEDLO CN(C)c1ccc([NH+]2CCC(Nc3cccc(CC#N)c3)CC2)cc1 ZINC000825148427 1137167550 /nfs/dbraw/zinc/16/75/50/1137167550.db2.gz VSWQUCPWCVNWIM-UHFFFAOYSA-N 1 2 334.467 3.900 20 30 EHEDLO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000794544865 1137197916 /nfs/dbraw/zinc/19/79/16/1137197916.db2.gz INLMYLCMJLUNTG-INIZCTEOSA-N 1 2 347.434 3.578 20 30 EHEDLO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000794544865 1137197917 /nfs/dbraw/zinc/19/79/17/1137197917.db2.gz INLMYLCMJLUNTG-INIZCTEOSA-N 1 2 347.434 3.578 20 30 EHEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)c1=S ZINC000794636163 1137222278 /nfs/dbraw/zinc/22/22/78/1137222278.db2.gz ZAEWKVBDAOYKRB-MRXNPFEDSA-N 1 2 347.532 3.800 20 30 EHEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H]2CCC2CCCCC2)c1=S ZINC000794636163 1137222280 /nfs/dbraw/zinc/22/22/80/1137222280.db2.gz ZAEWKVBDAOYKRB-MRXNPFEDSA-N 1 2 347.532 3.800 20 30 EHEDLO C=CC[C@@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001144026925 1137230181 /nfs/dbraw/zinc/23/01/81/1137230181.db2.gz MHVOWPUMRXJULD-ABAIWWIYSA-N 1 2 329.271 3.925 20 30 EHEDLO COC(=O)c1csc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000794723165 1137240456 /nfs/dbraw/zinc/24/04/56/1137240456.db2.gz AZGDAJGYUDQIQG-ONEGZZNKSA-N 1 2 346.795 3.732 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001171178315 1137288230 /nfs/dbraw/zinc/28/82/30/1137288230.db2.gz FKWPUOYNDZGXEU-VIFPVBQESA-N 1 2 342.258 3.912 20 30 EHEDLO C[C@@H](CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)n1cc[nH+]c1 ZINC000845447033 1137292425 /nfs/dbraw/zinc/29/24/25/1137292425.db2.gz ABBPCNXTJGWDRA-JQWIXIFHSA-N 1 2 344.827 3.974 20 30 EHEDLO C[C@@H]1CCN(c2c(Br)cccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000865613564 1137298672 /nfs/dbraw/zinc/29/86/72/1137298672.db2.gz YBWJFHISVKSMEC-IUODEOHRSA-N 1 2 345.244 3.605 20 30 EHEDLO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cccc(C#N)c1O ZINC000866217018 1137335861 /nfs/dbraw/zinc/33/58/61/1137335861.db2.gz JKOAMZCNGWGHOV-MAUKXSAKSA-N 1 2 339.439 3.735 20 30 EHEDLO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866355116 1137348848 /nfs/dbraw/zinc/34/88/48/1137348848.db2.gz UIHIXTNYLVMWPX-DIFFPNOSSA-N 1 2 326.371 3.750 20 30 EHEDLO C=CC[C@H]1CC[C@H]([NH2+]c2ccc(N3CCN(C(C)=O)CC3)cc2)C1 ZINC000866626508 1137371181 /nfs/dbraw/zinc/37/11/81/1137371181.db2.gz NSBMPUUMIOHNQS-HKUYNNGSSA-N 1 2 327.472 3.512 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001148505899 1137427085 /nfs/dbraw/zinc/42/70/85/1137427085.db2.gz QRNJYBSJSBAWGD-USTZCAOPSA-N 1 2 325.456 3.762 20 30 EHEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C2(CCC2)CO1 ZINC001171730146 1137506650 /nfs/dbraw/zinc/50/66/50/1137506650.db2.gz RRAGCGCJXXCLMH-AWEZNQCLSA-N 1 2 339.357 3.580 20 30 EHEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C2(CCC2)CO1 ZINC001171730146 1137506651 /nfs/dbraw/zinc/50/66/51/1137506651.db2.gz RRAGCGCJXXCLMH-AWEZNQCLSA-N 1 2 339.357 3.580 20 30 EHEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001172299182 1137549109 /nfs/dbraw/zinc/54/91/09/1137549109.db2.gz IDFGKRIYCLGCJJ-RHSMWYFYSA-N 1 2 330.472 3.835 20 30 EHEDLO C[C@@H](CCC#N)C[NH2+][C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000877468461 1137677238 /nfs/dbraw/zinc/67/72/38/1137677238.db2.gz AADLTFAYXHPMLR-LPHOPBHVSA-N 1 2 328.456 3.613 20 30 EHEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)OCC ZINC000877671991 1137685108 /nfs/dbraw/zinc/68/51/08/1137685108.db2.gz UEGAHGDHQLVNAN-BDVYOWHSSA-N 1 2 343.895 3.921 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879563941 1137751287 /nfs/dbraw/zinc/75/12/87/1137751287.db2.gz FTXFNDNZKGQCKT-JSGCOSHPSA-N 1 2 337.286 3.506 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879563941 1137751288 /nfs/dbraw/zinc/75/12/88/1137751288.db2.gz FTXFNDNZKGQCKT-JSGCOSHPSA-N 1 2 337.286 3.506 20 30 EHEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)on1 ZINC000331898722 1137925036 /nfs/dbraw/zinc/92/50/36/1137925036.db2.gz YNADUNZTNGBTBD-OAHLLOKOSA-N 1 2 346.228 3.954 20 30 EHEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)on1 ZINC000331898722 1137925037 /nfs/dbraw/zinc/92/50/37/1137925037.db2.gz YNADUNZTNGBTBD-OAHLLOKOSA-N 1 2 346.228 3.954 20 30 EHEDLO C[C@H](c1ccccn1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348319444 1137949334 /nfs/dbraw/zinc/94/93/34/1137949334.db2.gz MJROSXAZXSXXCP-DNVCBOLYSA-N 1 2 340.858 3.678 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](C)N1Cc1ccccc1C#N ZINC000337253601 1138509718 /nfs/dbraw/zinc/50/97/18/1138509718.db2.gz SBBSZUIEZOWCOW-HDICACEKSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](C)N1Cc1ccccc1C#N ZINC000337253601 1138509720 /nfs/dbraw/zinc/50/97/20/1138509720.db2.gz SBBSZUIEZOWCOW-HDICACEKSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@@H]1CN(Cc2ccccc2C#N)C[C@H](C)[N@H+]1Cc1ccccc1C#N ZINC000337253601 1138509723 /nfs/dbraw/zinc/50/97/23/1138509723.db2.gz SBBSZUIEZOWCOW-HDICACEKSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@@H]1CN(Cc2ccccc2C#N)C[C@H](C)[N@@H+]1Cc1ccccc1C#N ZINC000337253601 1138509728 /nfs/dbraw/zinc/50/97/28/1138509728.db2.gz SBBSZUIEZOWCOW-HDICACEKSA-N 1 2 344.462 3.525 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000337254056 1138509834 /nfs/dbraw/zinc/50/98/34/1138509834.db2.gz QHNQINXUMFJKSP-UONOGXRCSA-N 1 2 336.505 3.851 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000337254056 1138509835 /nfs/dbraw/zinc/50/98/35/1138509835.db2.gz QHNQINXUMFJKSP-UONOGXRCSA-N 1 2 336.505 3.851 20 30 EHEDLO C=CCC(CC=C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000131695117 1138536383 /nfs/dbraw/zinc/53/63/83/1138536383.db2.gz CYRAKOGBGGGNSP-UHFFFAOYSA-N 1 2 327.472 3.847 20 30 EHEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 ZINC000184708291 1140116384 /nfs/dbraw/zinc/11/63/84/1140116384.db2.gz NQSONNQVTIAYNK-SNVBAGLBSA-N 1 2 348.859 3.520 20 30 EHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000185227997 1140140830 /nfs/dbraw/zinc/14/08/30/1140140830.db2.gz OURZYKLBJMAWCX-CQSZACIVSA-N 1 2 340.452 3.530 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000187557050 1140261308 /nfs/dbraw/zinc/26/13/08/1140261308.db2.gz RLYOGYXZDAIMEU-UHFFFAOYSA-N 1 2 326.827 3.695 20 30 EHEDLO N#Cc1ccc([C@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000192296296 1140521263 /nfs/dbraw/zinc/52/12/63/1140521263.db2.gz JEFAJCCPQIKVCA-LJQANCHMSA-N 1 2 328.362 3.534 20 30 EHEDLO N#Cc1ccc([C@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000192296296 1140521266 /nfs/dbraw/zinc/52/12/66/1140521266.db2.gz JEFAJCCPQIKVCA-LJQANCHMSA-N 1 2 328.362 3.534 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c(F)c1 ZINC000193149874 1140565608 /nfs/dbraw/zinc/56/56/08/1140565608.db2.gz RKWZEMSEUNDAOK-UHFFFAOYSA-N 1 2 344.817 3.834 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)cc1 ZINC000268333472 1140921922 /nfs/dbraw/zinc/92/19/22/1140921922.db2.gz YBVJDDSKSDVQNY-UHFFFAOYSA-N 1 2 335.382 3.612 20 30 EHEDLO N#Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000157670920 1015192156 /nfs/dbraw/zinc/19/21/56/1015192156.db2.gz FILVBTFECQREQH-ZDUSSCGKSA-N 1 2 332.329 3.663 20 30 EHEDLO Cc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000154606507 1015631424 /nfs/dbraw/zinc/63/14/24/1015631424.db2.gz QRHCRWYPHYYFNH-QGZVFWFLSA-N 1 2 348.450 3.777 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](c3ccccn3)C3CCC3)o2)cc1 ZINC000528661663 1032546879 /nfs/dbraw/zinc/54/68/79/1032546879.db2.gz VWUHFEJBRQSMIQ-LJQANCHMSA-N 1 2 345.406 3.634 20 30 EHEDLO COc1ccc(C(N)=[NH+]O[C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000178307474 1017464725 /nfs/dbraw/zinc/46/47/25/1017464725.db2.gz RIMIMRCLLYZCRP-CYBMUJFWSA-N 1 2 337.379 3.748 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccccc1C#N ZINC000340448085 1017864627 /nfs/dbraw/zinc/86/46/27/1017864627.db2.gz RDTTYHYHVVNLBE-NWDGAFQWSA-N 1 2 329.350 3.514 20 30 EHEDLO CSc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000348514335 1018035786 /nfs/dbraw/zinc/03/57/86/1018035786.db2.gz VAAQSNFSHSAEET-FQEVSTJZSA-N 1 2 337.492 3.791 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000565174076 1018045373 /nfs/dbraw/zinc/04/53/73/1018045373.db2.gz VSGPJCDTOKXNJZ-AWEZNQCLSA-N 1 2 345.244 3.688 20 30 EHEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000528763314 1032739899 /nfs/dbraw/zinc/73/98/99/1032739899.db2.gz BDFDINSZQWQNQL-CQSZACIVSA-N 1 2 345.393 3.857 20 30 EHEDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000528763314 1032739916 /nfs/dbraw/zinc/73/99/16/1032739916.db2.gz BDFDINSZQWQNQL-CQSZACIVSA-N 1 2 345.393 3.857 20 30 EHEDLO O=C(N[C@H]1CCSc2ccccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328696823 1018504223 /nfs/dbraw/zinc/50/42/23/1018504223.db2.gz LBKBKWVJFRKUOQ-HNNXBMFYSA-N 1 2 342.468 3.740 20 30 EHEDLO N#Cc1ccc(C[NH2+]C2(c3ccccc3Br)CCC2)nc1 ZINC000594015436 1032779128 /nfs/dbraw/zinc/77/91/28/1032779128.db2.gz NJSPZRWURJSCPY-UHFFFAOYSA-N 1 2 342.240 3.885 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000397618083 1018837661 /nfs/dbraw/zinc/83/76/61/1018837661.db2.gz QZMJLLNLWIGOEI-GFCCVEGCSA-N 1 2 335.245 3.510 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000397618083 1018837674 /nfs/dbraw/zinc/83/76/74/1018837674.db2.gz QZMJLLNLWIGOEI-GFCCVEGCSA-N 1 2 335.245 3.510 20 30 EHEDLO Cc1cc(-c2noc(C[N@@H+](C)Cc3cccc(C#N)c3)n2)ccc1F ZINC000119189000 1019595875 /nfs/dbraw/zinc/59/58/75/1019595875.db2.gz CNRXKCIDPMRXAX-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO Cc1cc(-c2noc(C[N@H+](C)Cc3cccc(C#N)c3)n2)ccc1F ZINC000119189000 1019595890 /nfs/dbraw/zinc/59/58/90/1019595890.db2.gz CNRXKCIDPMRXAX-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000473531739 1019855465 /nfs/dbraw/zinc/85/54/65/1019855465.db2.gz SZNOOVISMBJPSZ-LIRRHRJNSA-N 1 2 336.426 3.648 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000473531739 1019855476 /nfs/dbraw/zinc/85/54/76/1019855476.db2.gz SZNOOVISMBJPSZ-LIRRHRJNSA-N 1 2 336.426 3.648 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1n[nH]cc1Br ZINC000579786191 1019882994 /nfs/dbraw/zinc/88/29/94/1019882994.db2.gz MPUGJYXIMYYYIX-OAHLLOKOSA-N 1 2 345.244 3.601 20 30 EHEDLO Cc1cc2c(s1)N(c1ccnc(C#N)n1)c1ccccc1NC2=[NH2+] ZINC001167457352 1020779906 /nfs/dbraw/zinc/77/99/06/1020779906.db2.gz XMLDAAIPWUEHDN-UHFFFAOYSA-N 1 2 332.392 3.538 20 30 EHEDLO C=CC(=NCOC)N1c2sc(C)cc2C(=[NH2+])Nc2ccccc21 ZINC001167460174 1020851006 /nfs/dbraw/zinc/85/10/06/1020851006.db2.gz CKWBKJMHDZKWOG-XDJHFCHBSA-N 1 2 326.425 3.733 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(Cl)c1 ZINC000439443568 1021442500 /nfs/dbraw/zinc/44/25/00/1021442500.db2.gz SYOMVQIGKDDJLI-FQEVSTJZSA-N 1 2 338.838 3.886 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(Cl)c1 ZINC000439443568 1021442508 /nfs/dbraw/zinc/44/25/08/1021442508.db2.gz SYOMVQIGKDDJLI-FQEVSTJZSA-N 1 2 338.838 3.886 20 30 EHEDLO Clc1ccc(C#CC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000426394371 1021463928 /nfs/dbraw/zinc/46/39/28/1021463928.db2.gz JCSMDYCHJNADMQ-LJQANCHMSA-N 1 2 329.827 3.966 20 30 EHEDLO Clc1ccc(C#CC[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000426394371 1021463932 /nfs/dbraw/zinc/46/39/32/1021463932.db2.gz JCSMDYCHJNADMQ-LJQANCHMSA-N 1 2 329.827 3.966 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccnn1CC(C)C)c1ccc(Br)cc1 ZINC000894871439 1021547933 /nfs/dbraw/zinc/54/79/33/1021547933.db2.gz UPPXINXXQFXQJJ-KRWDZBQOSA-N 1 2 346.272 3.766 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc2[nH]c(=O)oc21 ZINC000894417410 1022245228 /nfs/dbraw/zinc/24/52/28/1022245228.db2.gz MDTPDOBYAUBNCH-UHFFFAOYSA-N 1 2 340.427 3.889 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc2[nH]c(=O)oc21 ZINC000894417410 1022245240 /nfs/dbraw/zinc/24/52/40/1022245240.db2.gz MDTPDOBYAUBNCH-UHFFFAOYSA-N 1 2 340.427 3.889 20 30 EHEDLO CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000328601190 1022462792 /nfs/dbraw/zinc/46/27/92/1022462792.db2.gz FBLCSRQZYXBJGV-GVDBMIGSSA-N 1 2 333.476 3.776 20 30 EHEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000550141706 1022578340 /nfs/dbraw/zinc/57/83/40/1022578340.db2.gz ZQTAABQEXXIHIG-FQEVSTJZSA-N 1 2 340.854 3.501 20 30 EHEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000550141706 1022578358 /nfs/dbraw/zinc/57/83/58/1022578358.db2.gz ZQTAABQEXXIHIG-FQEVSTJZSA-N 1 2 340.854 3.501 20 30 EHEDLO CCOc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1F ZINC000278775004 1033082899 /nfs/dbraw/zinc/08/28/99/1033082899.db2.gz OUWHDTDAHJBZFP-UHFFFAOYSA-N 1 2 329.375 3.914 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000046438293 1033091613 /nfs/dbraw/zinc/09/16/13/1033091613.db2.gz VCHITMYHUIFNJS-UHFFFAOYSA-N 1 2 332.753 3.971 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610632952 1023041453 /nfs/dbraw/zinc/04/14/53/1023041453.db2.gz BTAYSXJESLYTNI-ROUUACIJSA-N 1 2 345.406 3.638 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1cccs1 ZINC000510779311 1023157414 /nfs/dbraw/zinc/15/74/14/1023157414.db2.gz OOHKDHRBHUPSOR-AEFFLSMTSA-N 1 2 332.513 3.917 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1cccs1 ZINC000510779311 1023157419 /nfs/dbraw/zinc/15/74/19/1023157419.db2.gz OOHKDHRBHUPSOR-AEFFLSMTSA-N 1 2 332.513 3.917 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1OC)Cc1cccs1 ZINC000016395422 1023440405 /nfs/dbraw/zinc/44/04/05/1023440405.db2.gz CPUDXEKQNAAHPN-OAHLLOKOSA-N 1 2 344.480 3.622 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1OC)Cc1cccs1 ZINC000016395422 1023440407 /nfs/dbraw/zinc/44/04/07/1023440407.db2.gz CPUDXEKQNAAHPN-OAHLLOKOSA-N 1 2 344.480 3.622 20 30 EHEDLO C=CCc1cc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc(OC)c1O ZINC000277060410 1023728778 /nfs/dbraw/zinc/72/87/78/1023728778.db2.gz BSCKQJPPZMADFP-OLZOCXBDSA-N 1 2 344.459 3.612 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341980601 1023730505 /nfs/dbraw/zinc/73/05/05/1023730505.db2.gz ANLRWRKJVVPGSD-GFCCVEGCSA-N 1 2 339.361 3.550 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC000063300780 1033165665 /nfs/dbraw/zinc/16/56/65/1033165665.db2.gz LHTXLERWIRBBPS-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC000063300780 1033165667 /nfs/dbraw/zinc/16/56/67/1033165667.db2.gz LHTXLERWIRBBPS-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1cccc(C#N)c1 ZINC000063299832 1033176427 /nfs/dbraw/zinc/17/64/27/1033176427.db2.gz NDDJRKJDDGCYFE-UHFFFAOYSA-N 1 2 339.483 3.726 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1cccc(C#N)c1 ZINC000063299832 1033176436 /nfs/dbraw/zinc/17/64/36/1033176436.db2.gz NDDJRKJDDGCYFE-UHFFFAOYSA-N 1 2 339.483 3.726 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000514083487 1024116814 /nfs/dbraw/zinc/11/68/14/1024116814.db2.gz LLRCDEWNESCORN-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000514083487 1024116819 /nfs/dbraw/zinc/11/68/19/1024116819.db2.gz LLRCDEWNESCORN-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000329746271 1024173931 /nfs/dbraw/zinc/17/39/31/1024173931.db2.gz RSCUHOCLBIQXCD-QAPCUYQASA-N 1 2 342.418 3.547 20 30 EHEDLO C=CC(C)(C)Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000896875041 1024188082 /nfs/dbraw/zinc/18/80/82/1024188082.db2.gz USVQQVSXVLDDPV-NVXWUHKLSA-N 1 2 341.455 3.786 20 30 EHEDLO C=CC(C)(C)Cc1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000896875041 1024188086 /nfs/dbraw/zinc/18/80/86/1024188086.db2.gz USVQQVSXVLDDPV-NVXWUHKLSA-N 1 2 341.455 3.786 20 30 EHEDLO O=C(N[C@H]1CCCc2sccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329867018 1024228084 /nfs/dbraw/zinc/22/80/84/1024228084.db2.gz VKBXMWWYSXVHMK-AWEZNQCLSA-N 1 2 330.457 3.642 20 30 EHEDLO O=C(N[C@H]1CCCc2sccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329867018 1024228096 /nfs/dbraw/zinc/22/80/96/1024228096.db2.gz VKBXMWWYSXVHMK-AWEZNQCLSA-N 1 2 330.457 3.642 20 30 EHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000434681389 1024308692 /nfs/dbraw/zinc/30/86/92/1024308692.db2.gz NVJAKPHPNLFTQX-QGZVFWFLSA-N 1 2 326.440 3.991 20 30 EHEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000330194935 1024349313 /nfs/dbraw/zinc/34/93/13/1024349313.db2.gz OYVADXNHJBGNRK-QZTJIDSGSA-N 1 2 344.503 3.937 20 30 EHEDLO Oc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000892074708 1024568996 /nfs/dbraw/zinc/56/89/96/1024568996.db2.gz FGYHSKQPOKYISG-UHFFFAOYSA-N 1 2 331.231 3.848 20 30 EHEDLO Oc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000892074708 1024569002 /nfs/dbraw/zinc/56/90/02/1024569002.db2.gz FGYHSKQPOKYISG-UHFFFAOYSA-N 1 2 331.231 3.848 20 30 EHEDLO N#C[C@H]1CC[C@@H](Nc2cc[nH+]c3c(Br)ccc(F)c23)C1 ZINC000425268982 1024585885 /nfs/dbraw/zinc/58/58/85/1024585885.db2.gz ARQQKEKLWBTQOJ-VHSXEESVSA-N 1 2 334.192 3.662 20 30 EHEDLO C#CC1([NH2+]Cc2csc(N(C(C)=O)c3ccccc3)n2)CCCC1 ZINC000895678265 1024710718 /nfs/dbraw/zinc/71/07/18/1024710718.db2.gz YPQSVMOVXUJJEB-UHFFFAOYSA-N 1 2 339.464 3.863 20 30 EHEDLO N#CCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000548628780 1024876989 /nfs/dbraw/zinc/87/69/89/1024876989.db2.gz UCTGGLPNMZUOON-IBGZPJMESA-N 1 2 328.362 3.604 20 30 EHEDLO N#CCc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000548628780 1024877001 /nfs/dbraw/zinc/87/70/01/1024877001.db2.gz UCTGGLPNMZUOON-IBGZPJMESA-N 1 2 328.362 3.604 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccs1 ZINC000019540502 1025176556 /nfs/dbraw/zinc/17/65/56/1025176556.db2.gz AKBMENAQINLATE-UHFFFAOYSA-N 1 2 345.424 3.591 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cccs1 ZINC000019540502 1025176559 /nfs/dbraw/zinc/17/65/59/1025176559.db2.gz AKBMENAQINLATE-UHFFFAOYSA-N 1 2 345.424 3.591 20 30 EHEDLO Cc1cn2cc(NC(=O)N3CCC(c4ccc(C)nc4)CC3)ccc2[nH+]1 ZINC000329324926 1025753905 /nfs/dbraw/zinc/75/39/05/1025753905.db2.gz IMGKTYWLMPUPRD-UHFFFAOYSA-N 1 2 349.438 3.771 20 30 EHEDLO Cc1nn(C)c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1Cl ZINC000892246104 1025782386 /nfs/dbraw/zinc/78/23/86/1025782386.db2.gz LHHPEUXUCPQCBE-UHFFFAOYSA-N 1 2 326.831 3.543 20 30 EHEDLO Cc1nn(C)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1Cl ZINC000892246104 1025782408 /nfs/dbraw/zinc/78/24/08/1025782408.db2.gz LHHPEUXUCPQCBE-UHFFFAOYSA-N 1 2 326.831 3.543 20 30 EHEDLO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c2c(n1)CCCC2 ZINC000892245377 1025788701 /nfs/dbraw/zinc/78/87/01/1025788701.db2.gz WGYZIFCJCLLVBN-QFIPXVFZSA-N 1 2 347.462 3.714 20 30 EHEDLO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c2c(n1)CCCC2 ZINC000892245377 1025788716 /nfs/dbraw/zinc/78/87/16/1025788716.db2.gz WGYZIFCJCLLVBN-QFIPXVFZSA-N 1 2 347.462 3.714 20 30 EHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCCC12CCCC2 ZINC000329632270 1026125508 /nfs/dbraw/zinc/12/55/08/1026125508.db2.gz RSMDZZYHKZAOGB-QGZVFWFLSA-N 1 2 344.503 3.769 20 30 EHEDLO COc1cc(C)c(C[N@H+](C)Cc2cc(F)ccc2C#N)cc1OC ZINC000158237171 1026141678 /nfs/dbraw/zinc/14/16/78/1026141678.db2.gz UOPVJFKFIPWKGL-UHFFFAOYSA-N 1 2 328.387 3.655 20 30 EHEDLO COc1cc(C)c(C[N@@H+](C)Cc2cc(F)ccc2C#N)cc1OC ZINC000158237171 1026141690 /nfs/dbraw/zinc/14/16/90/1026141690.db2.gz UOPVJFKFIPWKGL-UHFFFAOYSA-N 1 2 328.387 3.655 20 30 EHEDLO C=CCCn1cc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)nn1 ZINC000657429356 1026246617 /nfs/dbraw/zinc/24/66/17/1026246617.db2.gz RIENSKQJYVAZSB-INIZCTEOSA-N 1 2 332.835 3.511 20 30 EHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000451735284 1026271067 /nfs/dbraw/zinc/27/10/67/1026271067.db2.gz NGCXFBXHWPRLCL-IEBWSBKVSA-N 1 2 345.874 3.675 20 30 EHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000451735284 1026271081 /nfs/dbraw/zinc/27/10/81/1026271081.db2.gz NGCXFBXHWPRLCL-IEBWSBKVSA-N 1 2 345.874 3.675 20 30 EHEDLO CCC[N@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(C#N)cc1 ZINC000128041888 1026862219 /nfs/dbraw/zinc/86/22/19/1026862219.db2.gz ADJCMYPQDKHORJ-UHFFFAOYSA-N 1 2 345.450 3.766 20 30 EHEDLO CCC[N@@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(C#N)cc1 ZINC000128041888 1026862230 /nfs/dbraw/zinc/86/22/30/1026862230.db2.gz ADJCMYPQDKHORJ-UHFFFAOYSA-N 1 2 345.450 3.766 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(OC)cc1 ZINC000054272124 1026972813 /nfs/dbraw/zinc/97/28/13/1026972813.db2.gz SHCWDONXDFDVAE-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(OC)cc1 ZINC000054272124 1026972823 /nfs/dbraw/zinc/97/28/23/1026972823.db2.gz SHCWDONXDFDVAE-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347117946 1027859991 /nfs/dbraw/zinc/85/99/91/1027859991.db2.gz HDNNDXQUWGUPIM-LLVKDONJSA-N 1 2 325.275 3.648 20 30 EHEDLO C[C@@H]1CCSCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347117946 1027860013 /nfs/dbraw/zinc/86/00/13/1027860013.db2.gz HDNNDXQUWGUPIM-LLVKDONJSA-N 1 2 325.275 3.648 20 30 EHEDLO Clc1cccc(C#CC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000533460250 1027902004 /nfs/dbraw/zinc/90/20/04/1027902004.db2.gz XOSOCUUPMVLHPD-IBGZPJMESA-N 1 2 329.827 3.966 20 30 EHEDLO Clc1cccc(C#CC[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000533460250 1027902010 /nfs/dbraw/zinc/90/20/10/1027902010.db2.gz XOSOCUUPMVLHPD-IBGZPJMESA-N 1 2 329.827 3.966 20 30 EHEDLO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ncn1 ZINC000428366471 1027950386 /nfs/dbraw/zinc/95/03/86/1027950386.db2.gz GSCALOLZMRQLHF-UHFFFAOYSA-N 1 2 346.409 3.998 20 30 EHEDLO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)ncn1 ZINC000428366471 1027950399 /nfs/dbraw/zinc/95/03/99/1027950399.db2.gz GSCALOLZMRQLHF-UHFFFAOYSA-N 1 2 346.409 3.998 20 30 EHEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502391662 1028168983 /nfs/dbraw/zinc/16/89/83/1028168983.db2.gz WJICFFJFMGNYEO-IBGZPJMESA-N 1 2 343.446 3.968 20 30 EHEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502391662 1028168985 /nfs/dbraw/zinc/16/89/85/1028168985.db2.gz WJICFFJFMGNYEO-IBGZPJMESA-N 1 2 343.446 3.968 20 30 EHEDLO C=CCOc1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)cc1Cl ZINC000414543628 1028690924 /nfs/dbraw/zinc/69/09/24/1028690924.db2.gz BRCDCLZZIAEORB-UHFFFAOYSA-N 1 2 343.854 3.651 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C#N ZINC000532744963 1028763082 /nfs/dbraw/zinc/76/30/82/1028763082.db2.gz HNDYQVBOTKRDLU-WOJBJXKFSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C#N ZINC000532744963 1028763101 /nfs/dbraw/zinc/76/31/01/1028763101.db2.gz HNDYQVBOTKRDLU-WOJBJXKFSA-N 1 2 331.419 3.839 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ncc(Br)s1 ZINC000421878984 1028884203 /nfs/dbraw/zinc/88/42/03/1028884203.db2.gz MSICAHCCIWBBHU-ZETCQYMHSA-N 1 2 328.260 3.690 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)ccn12 ZINC000583151893 1029012487 /nfs/dbraw/zinc/01/24/87/1029012487.db2.gz LLXMBWHJKUFMEV-UHFFFAOYSA-N 1 2 332.407 3.565 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)Cc1cccs1 ZINC000076650737 1029023557 /nfs/dbraw/zinc/02/35/57/1029023557.db2.gz BGXGLASGRHBDEA-UHFFFAOYSA-N 1 2 344.480 3.829 20 30 EHEDLO C=CC[N@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)Cc1cccs1 ZINC000076650737 1029023563 /nfs/dbraw/zinc/02/35/63/1029023563.db2.gz BGXGLASGRHBDEA-UHFFFAOYSA-N 1 2 344.480 3.829 20 30 EHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cccc(C#N)c1C ZINC000191918121 1029165037 /nfs/dbraw/zinc/16/50/37/1029165037.db2.gz WYRUXNHZNNOLIV-UHFFFAOYSA-N 1 2 339.443 3.570 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424758948 1029314756 /nfs/dbraw/zinc/31/47/56/1029314756.db2.gz CBWWJKJEYHZCGU-HZPDHXFCSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424758948 1029314769 /nfs/dbraw/zinc/31/47/69/1029314769.db2.gz CBWWJKJEYHZCGU-HZPDHXFCSA-N 1 2 338.854 3.943 20 30 EHEDLO CC1(C#N)CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000272507933 1029489186 /nfs/dbraw/zinc/48/91/86/1029489186.db2.gz FRGVKXOBJGOLHM-UHFFFAOYSA-N 1 2 341.436 3.664 20 30 EHEDLO FC(F)(F)CO[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533341626 1029638167 /nfs/dbraw/zinc/63/81/67/1029638167.db2.gz CZCMXMBRNWUYCJ-OAHLLOKOSA-N 1 2 331.765 3.735 20 30 EHEDLO FC(F)(F)CO[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000533341626 1029638171 /nfs/dbraw/zinc/63/81/71/1029638171.db2.gz CZCMXMBRNWUYCJ-OAHLLOKOSA-N 1 2 331.765 3.735 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC#N)CC2)c(Cl)c1 ZINC000583438380 1029832940 /nfs/dbraw/zinc/83/29/40/1029832940.db2.gz HSGKTEBQRUNNNK-AWEZNQCLSA-N 1 2 333.863 3.991 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000428474187 1030052259 /nfs/dbraw/zinc/05/22/59/1030052259.db2.gz RBCFGJHLWLVHSN-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000428474187 1030052277 /nfs/dbraw/zinc/05/22/77/1030052277.db2.gz RBCFGJHLWLVHSN-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO C=CC[C@H](C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235070610 1030924263 /nfs/dbraw/zinc/92/42/63/1030924263.db2.gz AAYJWDILJKSMBO-QMMMGPOBSA-N 1 2 349.066 3.971 20 30 EHEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1F ZINC000483930343 1031396017 /nfs/dbraw/zinc/39/60/17/1031396017.db2.gz PGDIBYASJGCRLT-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C(C)=O)Cc1ccc(C#N)cc1 ZINC000052825610 1031801353 /nfs/dbraw/zinc/80/13/53/1031801353.db2.gz ISLHDTOMXITYDP-UHFFFAOYSA-N 1 2 349.434 3.612 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C(C)=O)Cc1ccc(C#N)cc1 ZINC000052825610 1031801364 /nfs/dbraw/zinc/80/13/64/1031801364.db2.gz ISLHDTOMXITYDP-UHFFFAOYSA-N 1 2 349.434 3.612 20 30 EHEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2SC(F)(F)F)nn1 ZINC000898278426 1033423845 /nfs/dbraw/zinc/42/38/45/1033423845.db2.gz HPAQXGPJUFXQGV-UHFFFAOYSA-N 1 2 342.390 3.756 20 30 EHEDLO COC(=O)c1cnc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594518876 1033424548 /nfs/dbraw/zinc/42/45/48/1033424548.db2.gz PZFCIZWDGVGBIC-GFCCVEGCSA-N 1 2 341.436 3.531 20 30 EHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000455958706 1033733556 /nfs/dbraw/zinc/73/35/56/1033733556.db2.gz SLXKNDZBXCIWKR-UHFFFAOYSA-N 1 2 339.443 3.570 20 30 EHEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000592998094 1033782332 /nfs/dbraw/zinc/78/23/32/1033782332.db2.gz PRKYENTYQVCCSM-UHFFFAOYSA-N 1 2 337.379 3.640 20 30 EHEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000592998094 1033782344 /nfs/dbraw/zinc/78/23/44/1033782344.db2.gz PRKYENTYQVCCSM-UHFFFAOYSA-N 1 2 337.379 3.640 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccncc1Br ZINC000599439662 1033927262 /nfs/dbraw/zinc/92/72/62/1033927262.db2.gz AVECWXVSRPSDLY-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1Br ZINC000599439662 1033927275 /nfs/dbraw/zinc/92/72/75/1033927275.db2.gz AVECWXVSRPSDLY-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(N4CCCC4=O)cc3)c[nH+]c12 ZINC000255670525 1034117538 /nfs/dbraw/zinc/11/75/38/1034117538.db2.gz SGCAWJSCUHGPHK-KHPPLWFESA-N 1 2 345.402 3.666 20 30 EHEDLO O=C1/C(=C/c2cccc3nccn32)CC/C1=C/c1cccc2[nH+]ccn21 ZINC000255682727 1034156419 /nfs/dbraw/zinc/15/64/19/1034156419.db2.gz KVNXOPBGMJSNDP-VCFJNTAESA-N 1 2 340.386 3.812 20 30 EHEDLO O=C1/C(=C/c2cccc3[nH+]ccn32)CC/C1=C/c1cccc2nccn21 ZINC000255682727 1034156428 /nfs/dbraw/zinc/15/64/28/1034156428.db2.gz KVNXOPBGMJSNDP-VCFJNTAESA-N 1 2 340.386 3.812 20 30 EHEDLO C[C@H](CC#N)N(C)Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000450485531 1034413704 /nfs/dbraw/zinc/41/37/04/1034413704.db2.gz PNYHOTRYOQIGOW-HUUCEWRRSA-N 1 2 332.879 3.808 20 30 EHEDLO C[C@H](CC#N)N(C)Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000450485531 1034413710 /nfs/dbraw/zinc/41/37/10/1034413710.db2.gz PNYHOTRYOQIGOW-HUUCEWRRSA-N 1 2 332.879 3.808 20 30 EHEDLO CC[C@@H](C)CCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000612265302 1034676948 /nfs/dbraw/zinc/67/69/48/1034676948.db2.gz NGRZZPJGEGRLEI-GOSISDBHSA-N 1 2 341.499 3.809 20 30 EHEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000534649150 1034755278 /nfs/dbraw/zinc/75/52/78/1034755278.db2.gz ZLWUTTBBSPBDLB-SFHVURJKSA-N 1 2 340.492 3.752 20 30 EHEDLO N#Cc1ccc2nc(N3CCC(CCCn4cc[nH+]c4)CC3)ccc2c1 ZINC000541191554 1036059017 /nfs/dbraw/zinc/05/90/17/1036059017.db2.gz DMXSJBFIRGHLDT-UHFFFAOYSA-N 1 2 345.450 4.000 20 30 EHEDLO O=C1/C(=C/c2cccc3nccn32)CC/C1=C\c1cccc2[nH+]ccn21 ZINC000180307663 1036625803 /nfs/dbraw/zinc/62/58/03/1036625803.db2.gz KVNXOPBGMJSNDP-WXUKJITCSA-N 1 2 340.386 3.812 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)Cc1ccccc1F ZINC000464867846 1036906082 /nfs/dbraw/zinc/90/60/82/1036906082.db2.gz WRWNXYXDOCFYIO-UHFFFAOYSA-N 1 2 331.362 3.940 20 30 EHEDLO C=CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)Cc1ccccc1F ZINC000464867846 1036906102 /nfs/dbraw/zinc/90/61/02/1036906102.db2.gz WRWNXYXDOCFYIO-UHFFFAOYSA-N 1 2 331.362 3.940 20 30 EHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000152868769 1037029669 /nfs/dbraw/zinc/02/96/69/1037029669.db2.gz HOIHYQXIKKOVTN-AWEZNQCLSA-N 1 2 329.831 3.683 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000542139785 1037101037 /nfs/dbraw/zinc/10/10/37/1037101037.db2.gz AFBTWHBNVKZXSI-IEBWSBKVSA-N 1 2 340.471 3.895 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000590952358 1037139585 /nfs/dbraw/zinc/13/95/85/1037139585.db2.gz WSFHGUVIYNTUEO-GOSISDBHSA-N 1 2 339.420 3.757 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000590952358 1037139594 /nfs/dbraw/zinc/13/95/94/1037139594.db2.gz WSFHGUVIYNTUEO-GOSISDBHSA-N 1 2 339.420 3.757 20 30 EHEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000592127224 1037841410 /nfs/dbraw/zinc/84/14/10/1037841410.db2.gz WTGJWSJCKPQZFM-OAHLLOKOSA-N 1 2 342.240 3.705 20 30 EHEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000592127224 1037841432 /nfs/dbraw/zinc/84/14/32/1037841432.db2.gz WTGJWSJCKPQZFM-OAHLLOKOSA-N 1 2 342.240 3.705 20 30 EHEDLO COC(=O)c1cccc(C[NH2+]C2(c3ccccc3F)CCC2)c1C#N ZINC000592144449 1037861648 /nfs/dbraw/zinc/86/16/48/1037861648.db2.gz IKHNILODAANEDG-UHFFFAOYSA-N 1 2 338.382 3.653 20 30 EHEDLO CCCC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000058398187 1037899599 /nfs/dbraw/zinc/89/95/99/1037899599.db2.gz QPXVTRMJUIBLAE-UHFFFAOYSA-N 1 2 345.462 3.770 20 30 EHEDLO CCCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1F ZINC000058398187 1037899616 /nfs/dbraw/zinc/89/96/16/1037899616.db2.gz QPXVTRMJUIBLAE-UHFFFAOYSA-N 1 2 345.462 3.770 20 30 EHEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCCC2)O1 ZINC000592192210 1037922899 /nfs/dbraw/zinc/92/28/99/1037922899.db2.gz GVQHMXKIIIYFAP-ZDUSSCGKSA-N 1 2 336.382 3.693 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CCCC2)O1 ZINC000592192210 1037922917 /nfs/dbraw/zinc/92/29/17/1037922917.db2.gz GVQHMXKIIIYFAP-ZDUSSCGKSA-N 1 2 336.382 3.693 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000151943701 1037960934 /nfs/dbraw/zinc/96/09/34/1037960934.db2.gz QNAMQNZIWROMGY-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000151943701 1037960952 /nfs/dbraw/zinc/96/09/52/1037960952.db2.gz QNAMQNZIWROMGY-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO N#CC[C@]1(O)CC[N@H+](Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000592522877 1038019786 /nfs/dbraw/zinc/01/97/86/1038019786.db2.gz SIICPSBUMCPPRL-IBGZPJMESA-N 1 2 342.826 3.983 20 30 EHEDLO N#CC[C@]1(O)CC[N@@H+](Cc2c(Cl)cccc2Oc2ccccc2)C1 ZINC000592522877 1038019802 /nfs/dbraw/zinc/01/98/02/1038019802.db2.gz SIICPSBUMCPPRL-IBGZPJMESA-N 1 2 342.826 3.983 20 30 EHEDLO Cc1cc(OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N)c(C(C)C)cc1Cl ZINC000123750983 1038068352 /nfs/dbraw/zinc/06/83/52/1038068352.db2.gz VHHJSFLTWUREQH-LSDHHAIUSA-N 1 2 338.879 3.746 20 30 EHEDLO Cc1cc(OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N)c(C(C)C)cc1Cl ZINC000123750983 1038068369 /nfs/dbraw/zinc/06/83/69/1038068369.db2.gz VHHJSFLTWUREQH-LSDHHAIUSA-N 1 2 338.879 3.746 20 30 EHEDLO C=CCn1cccc1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000488544721 1039260261 /nfs/dbraw/zinc/26/02/61/1039260261.db2.gz AEGNLJAUIGQWLC-UHFFFAOYSA-N 1 2 344.484 3.615 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000489399059 1039939273 /nfs/dbraw/zinc/93/92/73/1039939273.db2.gz IHAJJZMXWQLERS-CVEARBPZSA-N 1 2 343.496 3.917 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000489399059 1039939282 /nfs/dbraw/zinc/93/92/82/1039939282.db2.gz IHAJJZMXWQLERS-CVEARBPZSA-N 1 2 343.496 3.917 20 30 EHEDLO N#Cc1ccc(/C=C\c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000573651162 1040185574 /nfs/dbraw/zinc/18/55/74/1040185574.db2.gz KEFJCUSGPVRPNQ-HJWRWDBZSA-N 1 2 339.358 3.964 20 30 EHEDLO CC(C)(C#N)c1ccc(CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000614159301 1040308254 /nfs/dbraw/zinc/30/82/54/1040308254.db2.gz GJDUFABSRZQYLE-UHFFFAOYSA-N 1 2 339.508 3.867 20 30 EHEDLO CC(=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1ccc(N(C)C)cc1 ZINC000912823709 1040347982 /nfs/dbraw/zinc/34/79/82/1040347982.db2.gz WRKPEVPVKUAIAS-UHFFFAOYSA-N 1 2 329.354 3.743 20 30 EHEDLO CC(=[NH+]Nc1nc2cc(F)c(F)cc2[nH]1)c1ccc(N(C)C)cc1 ZINC000912823709 1040348005 /nfs/dbraw/zinc/34/80/05/1040348005.db2.gz WRKPEVPVKUAIAS-UHFFFAOYSA-N 1 2 329.354 3.743 20 30 EHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccnn1CC1CCC1 ZINC000899413214 1040473746 /nfs/dbraw/zinc/47/37/46/1040473746.db2.gz NIAJBWKKYZVSQV-PLNGDYQASA-N 1 2 338.436 3.827 20 30 EHEDLO CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC#N ZINC000425960821 1040495268 /nfs/dbraw/zinc/49/52/68/1040495268.db2.gz YYLUMWWTUAOBFP-UHFFFAOYSA-N 1 2 347.260 3.761 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccccc2OC)n1)[C@H](C)COC ZINC000661244704 1042025098 /nfs/dbraw/zinc/02/50/98/1042025098.db2.gz VLRPTQRTVSGRRC-CQSZACIVSA-N 1 2 332.469 3.842 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccccc2OC)n1)[C@H](C)COC ZINC000661244704 1042025100 /nfs/dbraw/zinc/02/51/00/1042025100.db2.gz VLRPTQRTVSGRRC-CQSZACIVSA-N 1 2 332.469 3.842 20 30 EHEDLO N#CC1(c2ccc(C[NH+]3CCN(Cc4cccs4)CC3)cc2)CC1 ZINC000596979828 1042340996 /nfs/dbraw/zinc/34/09/96/1042340996.db2.gz ILYOPQHFTIWPPT-UHFFFAOYSA-N 1 2 337.492 3.621 20 30 EHEDLO CC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000661939429 1042416861 /nfs/dbraw/zinc/41/68/61/1042416861.db2.gz LCIOAESUJIWMRG-KRWDZBQOSA-N 1 2 342.874 3.750 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000278886816 1042836395 /nfs/dbraw/zinc/83/63/95/1042836395.db2.gz NTCKGEZEGSJLMF-UHFFFAOYSA-N 1 2 338.430 3.610 20 30 EHEDLO O=C(NCC1CCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330334427 1042916060 /nfs/dbraw/zinc/91/60/60/1042916060.db2.gz QQSNXCUFXAXFCY-UHFFFAOYSA-N 1 2 330.476 3.503 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1OC ZINC000344627848 1044212428 /nfs/dbraw/zinc/21/24/28/1044212428.db2.gz FWERJIJRHISXFI-UHFFFAOYSA-N 1 2 333.457 3.525 20 30 EHEDLO C=CCc1cc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc(OC)c1O ZINC000344694888 1044292892 /nfs/dbraw/zinc/29/28/92/1044292892.db2.gz FJYDNELMSUBQHK-GFCCVEGCSA-N 1 2 348.468 3.583 20 30 EHEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2o1 ZINC000193276403 1127435196 /nfs/dbraw/zinc/43/51/96/1127435196.db2.gz LBYUIWRNPMQOAX-OAHLLOKOSA-N 1 2 328.331 3.504 20 30 EHEDLO CC(N=Nc1ncnc2ccsc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764835632 1127540444 /nfs/dbraw/zinc/54/04/44/1127540444.db2.gz OKQVUFJZRAGXLT-UHFFFAOYSA-N 1 2 334.408 3.713 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1csc(C#N)c1)c1nc(-c2cccnc2)no1 ZINC000921666830 1128446098 /nfs/dbraw/zinc/44/60/98/1128446098.db2.gz IYRFCEZHBWNGPX-HNNXBMFYSA-N 1 2 339.424 3.552 20 30 EHEDLO Cc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000301635491 1128599619 /nfs/dbraw/zinc/59/96/19/1128599619.db2.gz KUBJZAZRNCXBLO-UHFFFAOYSA-N 1 2 336.439 3.828 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301762084 1128604813 /nfs/dbraw/zinc/60/48/13/1128604813.db2.gz DEDMXYBLRMPLQR-MRXNPFEDSA-N 1 2 347.397 3.640 20 30 EHEDLO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000108715296 1128659402 /nfs/dbraw/zinc/65/94/02/1128659402.db2.gz METPTJWDEOCTEF-ZDUSSCGKSA-N 1 2 345.368 3.859 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000185473764 1120415580 /nfs/dbraw/zinc/41/55/80/1120415580.db2.gz HGDXRNGGBAPCOS-IAGOWNOFSA-N 1 2 330.472 3.503 20 30 EHEDLO CC(C)Oc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761761005 1120889128 /nfs/dbraw/zinc/88/91/28/1120889128.db2.gz YHZQBAQJIWOCQH-NRFANRHFSA-N 1 2 336.435 3.919 20 30 EHEDLO CC(C)Oc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761761005 1120889130 /nfs/dbraw/zinc/88/91/30/1120889130.db2.gz YHZQBAQJIWOCQH-NRFANRHFSA-N 1 2 336.435 3.919 20 30 EHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cc(Br)ncc1F ZINC000762422884 1121292948 /nfs/dbraw/zinc/29/29/48/1121292948.db2.gz BEGCCVFONPSUND-SNAWJCMRSA-N 1 2 346.159 3.527 20 30 EHEDLO CSC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311468564 1129012219 /nfs/dbraw/zinc/01/22/19/1129012219.db2.gz ADAOXTTVSXLBRM-GFCCVEGCSA-N 1 2 339.302 3.896 20 30 EHEDLO CSC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311468564 1129012223 /nfs/dbraw/zinc/01/22/23/1129012223.db2.gz ADAOXTTVSXLBRM-GFCCVEGCSA-N 1 2 339.302 3.896 20 30 EHEDLO CC(=NNCc1cccc2cccnc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915959002 1121993744 /nfs/dbraw/zinc/99/37/44/1121993744.db2.gz CTMRQAKCGOXVDN-UHFFFAOYSA-N 1 2 341.418 3.934 20 30 EHEDLO N#Cc1cc(F)c(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000496933138 1122212322 /nfs/dbraw/zinc/21/23/22/1122212322.db2.gz CUENQBMIRZFNRT-QPJJXVBHSA-N 1 2 339.389 3.672 20 30 EHEDLO C=CCCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498797105 1123070560 /nfs/dbraw/zinc/07/05/60/1123070560.db2.gz QKDQAOVPMWWQDF-UHFFFAOYSA-N 1 2 341.282 3.646 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1OC ZINC000556967526 1123243293 /nfs/dbraw/zinc/24/32/93/1123243293.db2.gz NOQNRKMTKWXSIT-SFTDATJTSA-N 1 2 343.467 3.794 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1OC ZINC000556967526 1123243295 /nfs/dbraw/zinc/24/32/95/1123243295.db2.gz NOQNRKMTKWXSIT-SFTDATJTSA-N 1 2 343.467 3.794 20 30 EHEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000609538904 1123606925 /nfs/dbraw/zinc/60/69/25/1123606925.db2.gz OVUOTRVOTBSHAM-SFHVURJKSA-N 1 2 342.874 3.554 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000616135326 1123949175 /nfs/dbraw/zinc/94/91/75/1123949175.db2.gz MYEVQWOUPFOPHW-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000616135326 1123949181 /nfs/dbraw/zinc/94/91/81/1123949181.db2.gz MYEVQWOUPFOPHW-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO Cn1c(C[NH2+]Cc2cc(C#N)ccc2F)nc2ccc(Cl)cc21 ZINC000763480046 1124031817 /nfs/dbraw/zinc/03/18/17/1124031817.db2.gz VCOKAIBYKTXDKC-UHFFFAOYSA-N 1 2 328.778 3.527 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000066462982 1129174959 /nfs/dbraw/zinc/17/49/59/1129174959.db2.gz GQHOWBVGPCHKLK-UHFFFAOYSA-N 1 2 335.407 3.779 20 30 EHEDLO FC(F)(F)COCC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618615351 1125134439 /nfs/dbraw/zinc/13/44/39/1125134439.db2.gz NYYZEPQVESMGGW-OCAPTIKFSA-N 1 2 347.221 3.628 20 30 EHEDLO FC(F)(F)COCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618615351 1125134441 /nfs/dbraw/zinc/13/44/41/1125134441.db2.gz NYYZEPQVESMGGW-OCAPTIKFSA-N 1 2 347.221 3.628 20 30 EHEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000081574356 1129429546 /nfs/dbraw/zinc/42/95/46/1129429546.db2.gz PCLXAZFLQXHVDN-DJJJIMSYSA-N 1 2 339.826 3.843 20 30 EHEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@H]1c1ccccc1 ZINC000081574356 1129429547 /nfs/dbraw/zinc/42/95/47/1129429547.db2.gz PCLXAZFLQXHVDN-DJJJIMSYSA-N 1 2 339.826 3.843 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000466442678 1129448393 /nfs/dbraw/zinc/44/83/93/1129448393.db2.gz WKTJQONMCULNDH-IEBWSBKVSA-N 1 2 325.456 3.960 20 30 EHEDLO C[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000170954814 1129449037 /nfs/dbraw/zinc/44/90/37/1129449037.db2.gz NZJLCTORDMJIJM-ZDUSSCGKSA-N 1 2 339.826 3.769 20 30 EHEDLO C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000170954814 1129449039 /nfs/dbraw/zinc/44/90/39/1129449039.db2.gz NZJLCTORDMJIJM-ZDUSSCGKSA-N 1 2 339.826 3.769 20 30 EHEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c(Cl)c1 ZINC000499938203 1129578933 /nfs/dbraw/zinc/57/89/33/1129578933.db2.gz FOTLIDJPOMBTMQ-OAHLLOKOSA-N 1 2 339.197 3.827 20 30 EHEDLO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000093360011 1129585766 /nfs/dbraw/zinc/58/57/66/1129585766.db2.gz GYAKVWHWGDAWPJ-MRXNPFEDSA-N 1 2 345.855 3.510 20 30 EHEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000093360011 1129585769 /nfs/dbraw/zinc/58/57/69/1129585769.db2.gz GYAKVWHWGDAWPJ-MRXNPFEDSA-N 1 2 345.855 3.510 20 30 EHEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(CC#N)cc3)n2)c1 ZINC000543546220 1129958358 /nfs/dbraw/zinc/95/83/58/1129958358.db2.gz KZQIPTPQGYTMSG-AWEZNQCLSA-N 1 2 348.406 3.662 20 30 EHEDLO C(=NNc1cc[nH+]c2ccccc12)c1csc(-c2ccccn2)n1 ZINC000730146086 1130678360 /nfs/dbraw/zinc/67/83/60/1130678360.db2.gz FFDLEXZUASMUHH-UHFFFAOYSA-N 1 2 331.404 3.621 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2csc(COc3ccccc3)n2)cc1 ZINC000733324634 1131025281 /nfs/dbraw/zinc/02/52/81/1131025281.db2.gz PLMLBRNGCRVMCE-UHFFFAOYSA-N 1 2 335.432 3.884 20 30 EHEDLO C#CCOc1ccccc1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000734159620 1131204953 /nfs/dbraw/zinc/20/49/53/1131204953.db2.gz SIRPTSYRWIAEEJ-UHFFFAOYSA-N 1 2 335.432 3.507 20 30 EHEDLO CSCC[C@@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000736319117 1131416311 /nfs/dbraw/zinc/41/63/11/1131416311.db2.gz USFYFHKYYCQQTC-CHWSQXEVSA-N 1 2 347.509 3.546 20 30 EHEDLO CSCC[C@@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000736319117 1131416312 /nfs/dbraw/zinc/41/63/12/1131416312.db2.gz USFYFHKYYCQQTC-CHWSQXEVSA-N 1 2 347.509 3.546 20 30 EHEDLO C=CCCC[N@@H+](C)Cn1nc(COc2cccc(C)c2)oc1=S ZINC000736581995 1131426844 /nfs/dbraw/zinc/42/68/44/1131426844.db2.gz FBKJUDPTLOTJGB-UHFFFAOYSA-N 1 2 333.457 3.949 20 30 EHEDLO C=CCCC[N@H+](C)Cn1nc(COc2cccc(C)c2)oc1=S ZINC000736581995 1131426848 /nfs/dbraw/zinc/42/68/48/1131426848.db2.gz FBKJUDPTLOTJGB-UHFFFAOYSA-N 1 2 333.457 3.949 20 30 EHEDLO COc1cc(C#N)c(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC001212696988 1131936012 /nfs/dbraw/zinc/93/60/12/1131936012.db2.gz YYSNGEZWXUMBAL-UHFFFAOYSA-N 1 2 334.379 3.564 20 30 EHEDLO C=CC[C@@](C)([NH2+][C@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001173088409 1131949810 /nfs/dbraw/zinc/94/98/10/1131949810.db2.gz AEODOYNOBGFBFM-MLGOLLRUSA-N 1 2 345.361 3.614 20 30 EHEDLO N#CCC1CCC([N@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173340643 1132054059 /nfs/dbraw/zinc/05/40/59/1132054059.db2.gz JIUMAEWMNNQKEN-JCYILVPMSA-N 1 2 325.447 3.654 20 30 EHEDLO N#CCC1CCC([N@@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173340643 1132054064 /nfs/dbraw/zinc/05/40/64/1132054064.db2.gz JIUMAEWMNNQKEN-JCYILVPMSA-N 1 2 325.447 3.654 20 30 EHEDLO N#CCC1CCC(N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001173340643 1132054071 /nfs/dbraw/zinc/05/40/71/1132054071.db2.gz JIUMAEWMNNQKEN-JCYILVPMSA-N 1 2 325.447 3.654 20 30 EHEDLO CC(=O)Nc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1C#N ZINC001174524117 1132401685 /nfs/dbraw/zinc/40/16/85/1132401685.db2.gz FEPCEAWEOVBYKE-UHFFFAOYSA-N 1 2 335.411 3.646 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000767727244 1133043584 /nfs/dbraw/zinc/04/35/84/1133043584.db2.gz JGOBESNSZCLDLG-UHFFFAOYSA-N 1 2 340.854 3.916 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1C#C[Si](C)(C)C)n1cc[nH+]c1 ZINC001177926283 1133113847 /nfs/dbraw/zinc/11/38/47/1133113847.db2.gz GQIFKNDPZADYNF-CYBMUJFWSA-N 1 2 345.906 3.965 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccn2CCC(C)C)c1 ZINC000768916131 1133203050 /nfs/dbraw/zinc/20/30/50/1133203050.db2.gz SJCOXQCVMYSZDV-UHFFFAOYSA-N 1 2 337.467 3.586 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccn2CCC(C)C)c1 ZINC000768916131 1133203056 /nfs/dbraw/zinc/20/30/56/1133203056.db2.gz SJCOXQCVMYSZDV-UHFFFAOYSA-N 1 2 337.467 3.586 20 30 EHEDLO Cc1cc(N2CCN(c3ccccc3C#N)CC2)[nH+]c2ccccc12 ZINC000070463110 1133346255 /nfs/dbraw/zinc/34/62/55/1133346255.db2.gz FKXRXHHAGYPLNO-UHFFFAOYSA-N 1 2 328.419 3.742 20 30 EHEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(Br)c(F)c2)s1 ZINC000769828630 1133353872 /nfs/dbraw/zinc/35/38/72/1133353872.db2.gz JYGLFQMOAPBRML-UHFFFAOYSA-N 1 2 343.225 3.557 20 30 EHEDLO CC(=O)/C=C(/C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182245020 1133599308 /nfs/dbraw/zinc/59/93/08/1133599308.db2.gz RVRICNWNVYCLLZ-HWOXTHGCSA-N 1 2 348.874 3.866 20 30 EHEDLO Brc1ccc(N[NH+]=C2CCCNc3ccccc32)cn1 ZINC000774385995 1133668130 /nfs/dbraw/zinc/66/81/30/1133668130.db2.gz WGQLKJAIKDZNIF-UHFFFAOYSA-N 1 2 331.217 3.866 20 30 EHEDLO Cc1cc(Nc2ncc(C#N)cc2F)c[nH+]c1N1CCCC[C@@H]1C ZINC001185923043 1134152035 /nfs/dbraw/zinc/15/20/35/1134152035.db2.gz RZPDLLWQELEZTE-ZDUSSCGKSA-N 1 2 325.391 3.918 20 30 EHEDLO C=CCOc1ccccc1[C@H](C)NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190107295 1134656763 /nfs/dbraw/zinc/65/67/63/1134656763.db2.gz PMMKJTHZMQEUOV-INIZCTEOSA-N 1 2 347.418 3.928 20 30 EHEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2ccc(OCC)cc2)no1)c1ccccc1 ZINC000775401292 1134728544 /nfs/dbraw/zinc/72/85/44/1134728544.db2.gz RLNBQUQBPOFEKU-LJQANCHMSA-N 1 2 347.418 3.990 20 30 EHEDLO CCCCCCCNC(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001191121758 1134797216 /nfs/dbraw/zinc/79/72/16/1134797216.db2.gz LSRBLWASMVYEHV-UHFFFAOYSA-N 1 2 328.460 3.701 20 30 EHEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001192939384 1135080568 /nfs/dbraw/zinc/08/05/68/1135080568.db2.gz MDBKASANADWKHV-OAHLLOKOSA-N 1 2 333.863 3.600 20 30 EHEDLO C#CC[N@H+](Cc1ccccc1)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC001194164722 1135235864 /nfs/dbraw/zinc/23/58/64/1135235864.db2.gz MOENZMRSUHHXDH-GOSISDBHSA-N 1 2 339.439 3.616 20 30 EHEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC001194164722 1135235868 /nfs/dbraw/zinc/23/58/68/1135235868.db2.gz MOENZMRSUHHXDH-GOSISDBHSA-N 1 2 339.439 3.616 20 30 EHEDLO C#CC[C@H](OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(C)(C)C ZINC000805917707 1135349600 /nfs/dbraw/zinc/34/96/00/1135349600.db2.gz WFWAFJWMHUGSCA-KRWDZBQOSA-N 1 2 348.512 3.645 20 30 EHEDLO C#C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1F ZINC000806290008 1135425986 /nfs/dbraw/zinc/42/59/86/1135425986.db2.gz SDFAQRPSDGCFFC-HNNXBMFYSA-N 1 2 342.761 3.623 20 30 EHEDLO C=C(C)C(C)(C)c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180946 1135577617 /nfs/dbraw/zinc/57/76/17/1135577617.db2.gz JSBLOHQBUWCUHJ-QGZVFWFLSA-N 1 2 341.455 3.805 20 30 EHEDLO C=C(C)C(C)(C)c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180946 1135577621 /nfs/dbraw/zinc/57/76/21/1135577621.db2.gz JSBLOHQBUWCUHJ-QGZVFWFLSA-N 1 2 341.455 3.805 20 30 EHEDLO N#Cc1ccc(-c2ccc(C(=O)Nc3ccn4cc[nH+]c4c3)o2)cc1 ZINC001197387871 1135683283 /nfs/dbraw/zinc/68/32/83/1135683283.db2.gz PYPUTRYBJPQMHG-UHFFFAOYSA-N 1 2 328.331 3.718 20 30 EHEDLO N#Cc1cccc(NC(=S)Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001197712614 1135729528 /nfs/dbraw/zinc/72/95/28/1135729528.db2.gz PJBXEVAKTQBYPX-UHFFFAOYSA-N 1 2 333.420 3.612 20 30 EHEDLO C=CCC[C@H](O)C[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001198104289 1135776530 /nfs/dbraw/zinc/77/65/30/1135776530.db2.gz NWAHLKOCXROBRD-ZDUSSCGKSA-N 1 2 344.680 3.788 20 30 EHEDLO C=CCC[C@H](O)C[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001198104289 1135776526 /nfs/dbraw/zinc/77/65/26/1135776526.db2.gz NWAHLKOCXROBRD-ZDUSSCGKSA-N 1 2 344.680 3.788 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(O)ccc(Cl)c1F ZINC000809701688 1135869817 /nfs/dbraw/zinc/86/98/17/1135869817.db2.gz ITTBCOIOOSBPJM-UHFFFAOYSA-N 1 2 339.794 3.848 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(O)ccc(Cl)c1F ZINC000809701688 1135869820 /nfs/dbraw/zinc/86/98/20/1135869820.db2.gz ITTBCOIOOSBPJM-UHFFFAOYSA-N 1 2 339.794 3.848 20 30 EHEDLO C#Cc1ccccc1CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000810196114 1135936587 /nfs/dbraw/zinc/93/65/87/1135936587.db2.gz JKJLZGSKMDWFPF-UHFFFAOYSA-N 1 2 329.403 3.856 20 30 EHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(Br)nc3)c[nH+]c12 ZINC000811697172 1136126826 /nfs/dbraw/zinc/12/68/26/1136126826.db2.gz RLWVRWSINZWBBV-WAYWQWQTSA-N 1 2 342.196 3.696 20 30 EHEDLO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc(C)c1C#N ZINC001133033501 1136146493 /nfs/dbraw/zinc/14/64/93/1136146493.db2.gz ZZDKOWLUPCRJJE-HXUWFJFHSA-N 1 2 344.418 3.543 20 30 EHEDLO C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000851207935 1136351415 /nfs/dbraw/zinc/35/14/15/1136351415.db2.gz KAKBGHPSBZKYIZ-WMLDXEAASA-N 1 2 332.419 3.662 20 30 EHEDLO C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000851207935 1136351417 /nfs/dbraw/zinc/35/14/17/1136351417.db2.gz KAKBGHPSBZKYIZ-WMLDXEAASA-N 1 2 332.419 3.662 20 30 EHEDLO C#C[C@@](C)(CC)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000852099017 1136433107 /nfs/dbraw/zinc/43/31/07/1136433107.db2.gz BIECRVNELPCNFG-SFHVURJKSA-N 1 2 345.443 3.858 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329996 1136449515 /nfs/dbraw/zinc/44/95/15/1136449515.db2.gz NCVODRZZGHCXCC-QFIPXVFZSA-N 1 2 344.462 3.940 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329996 1136449518 /nfs/dbraw/zinc/44/95/18/1136449518.db2.gz NCVODRZZGHCXCC-QFIPXVFZSA-N 1 2 344.462 3.940 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CCCC1 ZINC000852471463 1136457760 /nfs/dbraw/zinc/45/77/60/1136457760.db2.gz QWEVDRYVGPIYNE-QGZVFWFLSA-N 1 2 344.503 3.836 20 30 EHEDLO Nc1ccc2c(c1)C(=[NH+][N-]c1[nH]c3cc(F)c(F)cc3[nH+]1)CCC2 ZINC000814795979 1136506385 /nfs/dbraw/zinc/50/63/85/1136506385.db2.gz KNMMNCCNVRJLNH-UHFFFAOYSA-N 1 2 327.338 3.576 20 30 EHEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1ccc(Cl)c(N)c1 ZINC000814847209 1136515114 /nfs/dbraw/zinc/51/51/14/1136515114.db2.gz DRHGXBQUQOWMHX-UHFFFAOYSA-N 1 2 339.624 3.916 20 30 EHEDLO CCC(=[NH+]Nc1ccc(C(=O)OC)c(Cl)c1)c1cccc(N)c1 ZINC000814901824 1136522119 /nfs/dbraw/zinc/52/21/19/1136522119.db2.gz IORVMDOXCOVOOJ-UHFFFAOYSA-N 1 2 331.803 3.935 20 30 EHEDLO CCOC(=O)c1ccc(N[NH+]=C(C)c2cc(N)ccc2F)cc1C ZINC000814935331 1136527085 /nfs/dbraw/zinc/52/70/85/1136527085.db2.gz PPWUOIHRXYJAPU-UHFFFAOYSA-N 1 2 329.375 3.729 20 30 EHEDLO Cn1c(-c2ccccc2)cn(C[N@@H+]2CCC[C@H](CC#N)C2)c1=S ZINC000853526359 1136540889 /nfs/dbraw/zinc/54/08/89/1136540889.db2.gz PWEBRYNZFSGKGW-OAHLLOKOSA-N 1 2 326.469 3.806 20 30 EHEDLO Cn1c(-c2ccccc2)cn(C[N@H+]2CCC[C@H](CC#N)C2)c1=S ZINC000853526359 1136540891 /nfs/dbraw/zinc/54/08/91/1136540891.db2.gz PWEBRYNZFSGKGW-OAHLLOKOSA-N 1 2 326.469 3.806 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](Cn2ccn(Cc3ccccc3)c2=S)C1 ZINC000853525985 1136540946 /nfs/dbraw/zinc/54/09/46/1136540946.db2.gz LPTBSUXWDXXLGU-QGZVFWFLSA-N 1 2 326.469 3.651 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](Cn2ccn(Cc3ccccc3)c2=S)C1 ZINC000853525985 1136540947 /nfs/dbraw/zinc/54/09/47/1136540947.db2.gz LPTBSUXWDXXLGU-QGZVFWFLSA-N 1 2 326.469 3.651 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)C1 ZINC000853536967 1136542396 /nfs/dbraw/zinc/54/23/96/1136542396.db2.gz LGCWCPVSJAGBOI-SFHVURJKSA-N 1 2 337.467 3.773 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)C1 ZINC000853536967 1136542399 /nfs/dbraw/zinc/54/23/99/1136542399.db2.gz LGCWCPVSJAGBOI-SFHVURJKSA-N 1 2 337.467 3.773 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000853599878 1136548467 /nfs/dbraw/zinc/54/84/67/1136548467.db2.gz XTXNHCVRYZWADR-IYBDPMFKSA-N 1 2 341.484 3.636 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccncc2)n(CC)c1=S ZINC000853599878 1136548470 /nfs/dbraw/zinc/54/84/70/1136548470.db2.gz XTXNHCVRYZWADR-IYBDPMFKSA-N 1 2 341.484 3.636 20 30 EHEDLO C=C(Br)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017281 1136932271 /nfs/dbraw/zinc/93/22/71/1136932271.db2.gz WZIVJZNPVAOELD-HNNXBMFYSA-N 1 2 337.261 3.711 20 30 EHEDLO C=C(Br)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017281 1136932273 /nfs/dbraw/zinc/93/22/73/1136932273.db2.gz WZIVJZNPVAOELD-HNNXBMFYSA-N 1 2 337.261 3.711 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052604 1136936013 /nfs/dbraw/zinc/93/60/13/1136936013.db2.gz YBHKQNLMALSVLG-QGZVFWFLSA-N 1 2 337.398 3.623 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052604 1136936015 /nfs/dbraw/zinc/93/60/15/1136936015.db2.gz YBHKQNLMALSVLG-QGZVFWFLSA-N 1 2 337.398 3.623 20 30 EHEDLO Cc1cn2cc(NC(=O)C3(c4ccc(C#N)cc4)CCCC3)ccc2[nH+]1 ZINC000859062341 1137001725 /nfs/dbraw/zinc/00/17/25/1137001725.db2.gz GMLWPDNKGCKZQE-UHFFFAOYSA-N 1 2 344.418 3.965 20 30 EHEDLO C=CC[C@@H]([NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1)C(=O)OC ZINC001171066927 1137153532 /nfs/dbraw/zinc/15/35/32/1137153532.db2.gz RSZDHYWWHCGHFG-SWLSCSKDSA-N 1 2 328.239 3.558 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001143716586 1137191861 /nfs/dbraw/zinc/19/18/61/1137191861.db2.gz SCTNGJAMLKXGGX-IAQYHMDHSA-N 1 2 346.780 3.737 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001143716586 1137191863 /nfs/dbraw/zinc/19/18/63/1137191863.db2.gz SCTNGJAMLKXGGX-IAQYHMDHSA-N 1 2 346.780 3.737 20 30 EHEDLO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000794544871 1137197897 /nfs/dbraw/zinc/19/78/97/1137197897.db2.gz INLMYLCMJLUNTG-MRXNPFEDSA-N 1 2 347.434 3.578 20 30 EHEDLO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000794544871 1137197898 /nfs/dbraw/zinc/19/78/98/1137197898.db2.gz INLMYLCMJLUNTG-MRXNPFEDSA-N 1 2 347.434 3.578 20 30 EHEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H]2CCC2CCCCC2)c1=S ZINC000794636162 1137222321 /nfs/dbraw/zinc/22/23/21/1137222321.db2.gz ZAEWKVBDAOYKRB-INIZCTEOSA-N 1 2 347.532 3.800 20 30 EHEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H]2CCC2CCCCC2)c1=S ZINC000794636162 1137222323 /nfs/dbraw/zinc/22/23/23/1137222323.db2.gz ZAEWKVBDAOYKRB-INIZCTEOSA-N 1 2 347.532 3.800 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1c(C(F)(F)F)csc1=O ZINC000794650008 1137223623 /nfs/dbraw/zinc/22/36/23/1137223623.db2.gz FQPQCVNUAPJTOU-UHFFFAOYSA-N 1 2 342.386 3.964 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1c(C(F)(F)F)csc1=O ZINC000794650008 1137223625 /nfs/dbraw/zinc/22/36/25/1137223625.db2.gz FQPQCVNUAPJTOU-UHFFFAOYSA-N 1 2 342.386 3.964 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2\CSc3c(F)cccc3C2=O)s1 ZINC000794696281 1137235104 /nfs/dbraw/zinc/23/51/04/1137235104.db2.gz DJAMBBAYPXQLDK-UXBLZVDNSA-N 1 2 334.441 3.716 20 30 EHEDLO C#Cc1ccc([C@@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000844561274 1137235179 /nfs/dbraw/zinc/23/51/79/1137235179.db2.gz TWPUKICFUJEVHM-MLGOLLRUSA-N 1 2 336.313 3.662 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2c[nH]c3cc(F)ccc32)s1 ZINC000794707820 1137239887 /nfs/dbraw/zinc/23/98/87/1137239887.db2.gz NIHXDDWFJIUJJI-AATRIKPKSA-N 1 2 329.400 3.721 20 30 EHEDLO COc1ccc2c(c1)C(C)(C)/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794713728 1137242829 /nfs/dbraw/zinc/24/28/29/1137242829.db2.gz OEOHOWGEYHVTRG-SXGWCWSVSA-N 1 2 342.464 3.771 20 30 EHEDLO COc1cc(Cl)cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC001144478370 1137298121 /nfs/dbraw/zinc/29/81/21/1137298121.db2.gz FZMOEVPLSLQRMS-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866222324 1137335963 /nfs/dbraw/zinc/33/59/63/1137335963.db2.gz YQEWEYZSCBTLQP-AWEZNQCLSA-N 1 2 337.423 3.709 20 30 EHEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cc(F)c(F)c(F)c1 ZINC000794915828 1137346813 /nfs/dbraw/zinc/34/68/13/1137346813.db2.gz VRTNFZZYXKOSLD-UHFFFAOYSA-N 1 2 345.328 3.626 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(Br)CC1 ZINC000846783161 1137365477 /nfs/dbraw/zinc/36/54/77/1137365477.db2.gz ZQAGOXISXUZFKL-UHFFFAOYSA-N 1 2 325.206 3.510 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(Br)CC1 ZINC000846783161 1137365478 /nfs/dbraw/zinc/36/54/78/1137365478.db2.gz ZQAGOXISXUZFKL-UHFFFAOYSA-N 1 2 325.206 3.510 20 30 EHEDLO C=CC[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCN(C(C)=O)CC3)cc2)C1 ZINC000866626510 1137371233 /nfs/dbraw/zinc/37/12/33/1137371233.db2.gz NSBMPUUMIOHNQS-MJGOQNOKSA-N 1 2 327.472 3.512 20 30 EHEDLO Fc1cccc2c1C[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001171773920 1137509922 /nfs/dbraw/zinc/50/99/22/1137509922.db2.gz QYMLKHVROVDIHU-QMMMGPOBSA-N 1 2 333.222 3.715 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(C#N)CCCC2)CC12CCC2 ZINC001171833815 1137515210 /nfs/dbraw/zinc/51/52/10/1137515210.db2.gz PQSLDJGPGUOKCQ-HNNXBMFYSA-N 1 2 333.476 3.735 20 30 EHEDLO CCC[C@@](C)(C#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172092541 1137531917 /nfs/dbraw/zinc/53/19/17/1137531917.db2.gz YEGKFLWKDVMSNZ-GGXPGOJBSA-N 1 2 335.492 3.979 20 30 EHEDLO C#C[C@@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000877512749 1137679098 /nfs/dbraw/zinc/67/90/98/1137679098.db2.gz ABGKMXYEGLRJDA-ZDUSSCGKSA-N 1 2 349.406 3.607 20 30 EHEDLO C#CCC1(O)CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000882968474 1137840000 /nfs/dbraw/zinc/84/00/00/1137840000.db2.gz PCUHCRAQYYJFLC-UHFFFAOYSA-N 1 2 334.341 3.608 20 30 EHEDLO CCOc1c(OC)cc(C[N@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000093101262 1138234053 /nfs/dbraw/zinc/23/40/53/1138234053.db2.gz MRLCQKCKZJKTBL-UHFFFAOYSA-N 1 2 334.460 3.864 20 30 EHEDLO CCOc1c(OC)cc(C[N@@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000093101262 1138234054 /nfs/dbraw/zinc/23/40/54/1138234054.db2.gz MRLCQKCKZJKTBL-UHFFFAOYSA-N 1 2 334.460 3.864 20 30 EHEDLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130135109 1138437761 /nfs/dbraw/zinc/43/77/61/1138437761.db2.gz RGWTXMZWCAMBBV-INIZCTEOSA-N 1 2 342.468 3.653 20 30 EHEDLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000130135109 1138437764 /nfs/dbraw/zinc/43/77/64/1138437764.db2.gz RGWTXMZWCAMBBV-INIZCTEOSA-N 1 2 342.468 3.653 20 30 EHEDLO N#Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1Cl ZINC000337105283 1138467118 /nfs/dbraw/zinc/46/71/18/1138467118.db2.gz AQKYBUNOJXMLRI-UHFFFAOYSA-N 1 2 336.782 3.709 20 30 EHEDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1C#N ZINC000135149878 1138729514 /nfs/dbraw/zinc/72/95/14/1138729514.db2.gz NPBPHUQDYNFROH-SCLBCKFNSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)cc1C#N ZINC000135149878 1138729517 /nfs/dbraw/zinc/72/95/17/1138729517.db2.gz NPBPHUQDYNFROH-SCLBCKFNSA-N 1 2 328.437 3.590 20 30 EHEDLO C#Cc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000183660062 1140051927 /nfs/dbraw/zinc/05/19/27/1140051927.db2.gz BLPRGFXBPIRITL-HNNXBMFYSA-N 1 2 339.464 3.640 20 30 EHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184596981 1140111206 /nfs/dbraw/zinc/11/12/06/1140111206.db2.gz VPTZFOXZCHYSTL-UHFFFAOYSA-N 1 2 329.448 3.535 20 30 EHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184596981 1140111209 /nfs/dbraw/zinc/11/12/09/1140111209.db2.gz VPTZFOXZCHYSTL-UHFFFAOYSA-N 1 2 329.448 3.535 20 30 EHEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cs1 ZINC000184708311 1140116530 /nfs/dbraw/zinc/11/65/30/1140116530.db2.gz NQSONNQVTIAYNK-JTQLQIEISA-N 1 2 348.859 3.520 20 30 EHEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(N)cc1 ZINC000777450317 1140344795 /nfs/dbraw/zinc/34/47/95/1140344795.db2.gz PFZWPEFQURCKKT-UHFFFAOYSA-N 1 2 349.188 3.776 20 30 EHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000267571723 1140805571 /nfs/dbraw/zinc/80/55/71/1140805571.db2.gz DIWBYQPFRMVPLM-GJZGRUSLSA-N 1 2 343.477 3.624 20 30 EHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000267571723 1140805579 /nfs/dbraw/zinc/80/55/79/1140805579.db2.gz DIWBYQPFRMVPLM-GJZGRUSLSA-N 1 2 343.477 3.624 20 30 EHEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)C[C@H](C)C#N)c1 ZINC000271131612 1141311757 /nfs/dbraw/zinc/31/17/57/1141311757.db2.gz ORFTYYLQBJJUFF-OAHLLOKOSA-N 1 2 340.471 3.905 20 30 EHEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000271131612 1141311764 /nfs/dbraw/zinc/31/17/64/1141311764.db2.gz ORFTYYLQBJJUFF-OAHLLOKOSA-N 1 2 340.471 3.905 20 30 EHEDLO Cc1cc(Br)cn2c(/C=C/c3ccncc3C#N)c[nH+]c12 ZINC000349106283 1141640014 /nfs/dbraw/zinc/64/00/14/1141640014.db2.gz HQXBJODHWWQQMP-NSCUHMNNSA-N 1 2 339.196 3.842 20 30 EHEDLO COc1cc(C#N)ccc1CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275981990 564136417 /nfs/dbraw/zinc/13/64/17/564136417.db2.gz OHYPYCMRUUWTOP-GOSISDBHSA-N 1 2 336.439 3.506 20 30 EHEDLO CCO[C@H](C)c1noc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000247072920 1016401608 /nfs/dbraw/zinc/40/16/08/1016401608.db2.gz YQTGQZBVHGZMGT-ZIAGYGMSSA-N 1 2 328.416 3.622 20 30 EHEDLO CCO[C@H](C)c1noc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000247072920 1016401623 /nfs/dbraw/zinc/40/16/23/1016401623.db2.gz YQTGQZBVHGZMGT-ZIAGYGMSSA-N 1 2 328.416 3.622 20 30 EHEDLO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000924597314 1017074100 /nfs/dbraw/zinc/07/41/00/1017074100.db2.gz IDPRWIBQYFUAAQ-IAGOWNOFSA-N 1 2 330.815 3.692 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccnc1C(F)(F)F ZINC000528506806 1032409548 /nfs/dbraw/zinc/40/95/48/1032409548.db2.gz MNESEXIBILMJKD-UHFFFAOYSA-N 1 2 340.345 3.764 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccnc1C(F)(F)F ZINC000528506806 1032409551 /nfs/dbraw/zinc/40/95/51/1032409551.db2.gz MNESEXIBILMJKD-UHFFFAOYSA-N 1 2 340.345 3.764 20 30 EHEDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000528772155 1032792260 /nfs/dbraw/zinc/79/22/60/1032792260.db2.gz KUQZEWWEOUKFBD-JTQLQIEISA-N 1 2 329.188 3.940 20 30 EHEDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000528772155 1032792275 /nfs/dbraw/zinc/79/22/75/1032792275.db2.gz KUQZEWWEOUKFBD-JTQLQIEISA-N 1 2 329.188 3.940 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)s1 ZINC000129275438 1019009767 /nfs/dbraw/zinc/00/97/67/1019009767.db2.gz HRQQUVRCZWOITD-UHFFFAOYSA-N 1 2 340.374 3.741 20 30 EHEDLO N#Cc1cccc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000491211347 1032838775 /nfs/dbraw/zinc/83/87/75/1032838775.db2.gz CCTOPLKQNZLWCL-DAXSKMNVSA-N 1 2 332.338 3.535 20 30 EHEDLO N#CCC[C@H](C#N)CNC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000564843299 1019903641 /nfs/dbraw/zinc/90/36/41/1019903641.db2.gz CANKBLBZLLHIFS-CRAIPNDOSA-N 1 2 330.863 3.510 20 30 EHEDLO CC(C)(C#N)c1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000280547289 1020473637 /nfs/dbraw/zinc/47/36/37/1020473637.db2.gz PALCBEJEOBKMDK-UHFFFAOYSA-N 1 2 336.439 3.505 20 30 EHEDLO N#CCC1(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000581225186 1020544117 /nfs/dbraw/zinc/54/41/17/1020544117.db2.gz OHEBQWSSRGVPTF-UHFFFAOYSA-N 1 2 349.438 3.702 20 30 EHEDLO C#CCC1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCCC1 ZINC000276337632 1021050994 /nfs/dbraw/zinc/05/09/94/1021050994.db2.gz UKQQGOWUQXAXHG-UHFFFAOYSA-N 1 2 335.451 3.521 20 30 EHEDLO CCC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507368843 1021222740 /nfs/dbraw/zinc/22/27/40/1021222740.db2.gz HUAZIBIKKWALED-HNNXBMFYSA-N 1 2 339.414 3.937 20 30 EHEDLO CCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000507368843 1021222746 /nfs/dbraw/zinc/22/27/46/1021222746.db2.gz HUAZIBIKKWALED-HNNXBMFYSA-N 1 2 339.414 3.937 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2ccccn21 ZINC000439449763 1021451278 /nfs/dbraw/zinc/45/12/78/1021451278.db2.gz IXIAJQFKQQBTOT-KRWDZBQOSA-N 1 2 339.830 3.741 20 30 EHEDLO Cc1cccn2c(/C=C3\COc4c(F)ccc(F)c4C3=O)c[nH+]c12 ZINC000588425526 1021531801 /nfs/dbraw/zinc/53/18/01/1021531801.db2.gz DYLKVLXRWVGXFQ-YRNVUSSQSA-N 1 2 326.302 3.580 20 30 EHEDLO N#CCCCOc1cccc(C[N@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000426525652 1021808600 /nfs/dbraw/zinc/80/86/00/1021808600.db2.gz STBTWRBCBVCTAI-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO N#CCCCOc1cccc(C[N@@H+]2CCOc3ccc(F)cc3C2)c1 ZINC000426525652 1021808616 /nfs/dbraw/zinc/80/86/16/1021808616.db2.gz STBTWRBCBVCTAI-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO C#C[C@H]([NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCO1 ZINC000926211496 1022400741 /nfs/dbraw/zinc/40/07/41/1022400741.db2.gz VJXARJOHJUOBIB-JIMOISOXSA-N 1 2 332.753 3.585 20 30 EHEDLO CC#CC[N@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000550141707 1022579222 /nfs/dbraw/zinc/57/92/22/1022579222.db2.gz ZQTAABQEXXIHIG-HXUWFJFHSA-N 1 2 340.854 3.501 20 30 EHEDLO CC#CC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000550141707 1022579230 /nfs/dbraw/zinc/57/92/30/1022579230.db2.gz ZQTAABQEXXIHIG-HXUWFJFHSA-N 1 2 340.854 3.501 20 30 EHEDLO CCc1cc(C)cc(CC)c1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000331229322 1022763208 /nfs/dbraw/zinc/76/32/08/1022763208.db2.gz GWLDLCSDMGUNKC-UHFFFAOYSA-N 1 2 347.503 3.557 20 30 EHEDLO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507276776 1023218754 /nfs/dbraw/zinc/21/87/54/1023218754.db2.gz HAYBOPSOOISLAY-CQSZACIVSA-N 1 2 327.378 3.720 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000063300735 1033173976 /nfs/dbraw/zinc/17/39/76/1033173976.db2.gz OFXVOZJJTPVAER-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000063300735 1033173992 /nfs/dbraw/zinc/17/39/92/1033173992.db2.gz OFXVOZJJTPVAER-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434379858 1023996904 /nfs/dbraw/zinc/99/69/04/1023996904.db2.gz MPQDXLGJSJENAO-MRXNPFEDSA-N 1 2 344.503 3.853 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000329681523 1024064149 /nfs/dbraw/zinc/06/41/49/1024064149.db2.gz YIECGZPCQRQDMT-WBVHZDCISA-N 1 2 334.460 3.580 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCCc2occc2C1 ZINC000329681523 1024064166 /nfs/dbraw/zinc/06/41/66/1024064166.db2.gz YIECGZPCQRQDMT-WBVHZDCISA-N 1 2 334.460 3.580 20 30 EHEDLO C=CC[N@H+](CC(=O)NCCC1CCCCC1)Cc1cccc(C#N)c1 ZINC000063299820 1033181375 /nfs/dbraw/zinc/18/13/75/1033181375.db2.gz IMJNVMODWPFNCP-UHFFFAOYSA-N 1 2 339.483 3.633 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCCC1CCCCC1)Cc1cccc(C#N)c1 ZINC000063299820 1033181392 /nfs/dbraw/zinc/18/13/92/1033181392.db2.gz IMJNVMODWPFNCP-UHFFFAOYSA-N 1 2 339.483 3.633 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@]3(C)CCCOC3)n2)CC1 ZINC000329714703 1024126996 /nfs/dbraw/zinc/12/69/96/1024126996.db2.gz TYZGWXPCOFXZCA-QGZVFWFLSA-N 1 2 337.489 3.780 20 30 EHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329776863 1024190193 /nfs/dbraw/zinc/19/01/93/1024190193.db2.gz KFAWPAAXECTHJZ-BMGDILEWSA-N 1 2 346.471 3.870 20 30 EHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329776863 1024190201 /nfs/dbraw/zinc/19/02/01/1024190201.db2.gz KFAWPAAXECTHJZ-BMGDILEWSA-N 1 2 346.471 3.870 20 30 EHEDLO Cc1ccccc1[C@H]1C[C@H]([NH+]=C([O-])N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000329820728 1024211699 /nfs/dbraw/zinc/21/16/99/1024211699.db2.gz YISVZWAVMUDLBN-ULQDDVLXSA-N 1 2 338.455 3.758 20 30 EHEDLO Cc1cn2cc(NC(=O)N3CCC[C@@H]3c3csc(C)n3)ccc2[nH+]1 ZINC000330172268 1024343569 /nfs/dbraw/zinc/34/35/69/1024343569.db2.gz XVNKZJYICVOMKB-OAHLLOKOSA-N 1 2 341.440 3.790 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1C[C@@H]3CCCC[C@H]3C1)C2 ZINC000330235305 1024366084 /nfs/dbraw/zinc/36/60/84/1024366084.db2.gz GVOYNBYMTCFXPH-JYJNAYRXSA-N 1 2 344.503 3.531 20 30 EHEDLO N#Cc1cc(N2CCC(Nc3cccc[nH+]3)CC2)c2ccccc2n1 ZINC000895352510 1024366753 /nfs/dbraw/zinc/36/67/53/1024366753.db2.gz NLGJCWJPTRWAIU-UHFFFAOYSA-N 1 2 329.407 3.582 20 30 EHEDLO N#Cc1cnc2ccccc2c1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895352490 1024366947 /nfs/dbraw/zinc/36/69/47/1024366947.db2.gz MYUYSCFSRHUSIL-UHFFFAOYSA-N 1 2 329.407 3.582 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCCOCC3)n2)C1 ZINC000330261421 1024375852 /nfs/dbraw/zinc/37/58/52/1024375852.db2.gz PCRALNIPEXGJRO-KGLIPLIRSA-N 1 2 337.489 3.780 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCCOCC3)n2)C1 ZINC000330261421 1024375868 /nfs/dbraw/zinc/37/58/68/1024375868.db2.gz PCRALNIPEXGJRO-KGLIPLIRSA-N 1 2 337.489 3.780 20 30 EHEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000330295510 1024446246 /nfs/dbraw/zinc/44/62/46/1024446246.db2.gz FRQVUOBEZKWTMO-CQSZACIVSA-N 1 2 334.423 3.563 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474252226 1024652303 /nfs/dbraw/zinc/65/23/03/1024652303.db2.gz QDORHKVNUGCIKJ-XYJFISCASA-N 1 2 338.854 3.943 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474252226 1024652310 /nfs/dbraw/zinc/65/23/10/1024652310.db2.gz QDORHKVNUGCIKJ-XYJFISCASA-N 1 2 338.854 3.943 20 30 EHEDLO C=CCCCCCS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427668708 1024715653 /nfs/dbraw/zinc/71/56/53/1024715653.db2.gz QYDYNQRWKXZDPN-KRWDZBQOSA-N 1 2 347.528 3.598 20 30 EHEDLO C=CCCCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000472126707 1024972261 /nfs/dbraw/zinc/97/22/61/1024972261.db2.gz TXBUQPQAZABSGS-AWEZNQCLSA-N 1 2 336.505 3.853 20 30 EHEDLO C=CCCCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000472126707 1024972274 /nfs/dbraw/zinc/97/22/74/1024972274.db2.gz TXBUQPQAZABSGS-AWEZNQCLSA-N 1 2 336.505 3.853 20 30 EHEDLO CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]CCCCC#N ZINC000602939982 1033273971 /nfs/dbraw/zinc/27/39/71/1033273971.db2.gz CQYLVVDZIQIZKI-OAHLLOKOSA-N 1 2 343.254 3.751 20 30 EHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC000896502822 1025506921 /nfs/dbraw/zinc/50/69/21/1025506921.db2.gz KKJPDDLCOWFMDA-GOSISDBHSA-N 1 2 331.419 3.873 20 30 EHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000896502822 1025506936 /nfs/dbraw/zinc/50/69/36/1025506936.db2.gz KKJPDDLCOWFMDA-GOSISDBHSA-N 1 2 331.419 3.873 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000121047671 1025506989 /nfs/dbraw/zinc/50/69/89/1025506989.db2.gz AIOZFXRHCFQYTB-VBKZILBWSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000121047671 1025507002 /nfs/dbraw/zinc/50/70/02/1025507002.db2.gz AIOZFXRHCFQYTB-VBKZILBWSA-N 1 2 340.398 3.668 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000425535689 1025683095 /nfs/dbraw/zinc/68/30/95/1025683095.db2.gz NWOMYBOXFKHXOV-CYBMUJFWSA-N 1 2 326.469 3.806 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000425535689 1025683106 /nfs/dbraw/zinc/68/31/06/1025683106.db2.gz NWOMYBOXFKHXOV-CYBMUJFWSA-N 1 2 326.469 3.806 20 30 EHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC(C)(C)OC2(C)C)c1 ZINC000329237868 1025685460 /nfs/dbraw/zinc/68/54/60/1025685460.db2.gz KQZUIBYABDNCOX-INIZCTEOSA-N 1 2 327.428 3.831 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCO[C@H](C)C3)n2)C1 ZINC000329236698 1025686925 /nfs/dbraw/zinc/68/69/25/1025686925.db2.gz ONAKTCNSRCWGHW-MGPQQGTHSA-N 1 2 337.489 3.778 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCO[C@H](C)C3)n2)C1 ZINC000329236698 1025686947 /nfs/dbraw/zinc/68/69/47/1025686947.db2.gz ONAKTCNSRCWGHW-MGPQQGTHSA-N 1 2 337.489 3.778 20 30 EHEDLO N#CC1(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 ZINC000329376263 1025791761 /nfs/dbraw/zinc/79/17/61/1025791761.db2.gz LHMSFYYEQXUPAV-OAHLLOKOSA-N 1 2 341.459 3.671 20 30 EHEDLO N#CC1(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 ZINC000329376263 1025791772 /nfs/dbraw/zinc/79/17/72/1025791772.db2.gz LHMSFYYEQXUPAV-OAHLLOKOSA-N 1 2 341.459 3.671 20 30 EHEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnc3c(C)cc(C)cc31)C2 ZINC000896658938 1025796592 /nfs/dbraw/zinc/79/65/92/1025796592.db2.gz HIPFKQOKSMYVNY-UHFFFAOYSA-N 1 2 331.423 3.502 20 30 EHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000126949919 1026015737 /nfs/dbraw/zinc/01/57/37/1026015737.db2.gz WGEPCSIUOALNHR-UHFFFAOYSA-N 1 2 338.480 3.604 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1[C@H](C)C[C@H]1C ZINC000548754374 1027002139 /nfs/dbraw/zinc/00/21/39/1027002139.db2.gz CATDKGQGLADULT-UPJWGTAASA-N 1 2 331.485 3.698 20 30 EHEDLO N#CC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCC1 ZINC000044567905 1027211621 /nfs/dbraw/zinc/21/16/21/1027211621.db2.gz OPJWPCJLRMTGIP-UHFFFAOYSA-N 1 2 334.423 3.909 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(F)c1 ZINC000347327456 1027268353 /nfs/dbraw/zinc/26/83/53/1027268353.db2.gz CIRLYOFHAUWUMU-DOTOQJQBSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(F)c1 ZINC000347327456 1027268375 /nfs/dbraw/zinc/26/83/75/1027268375.db2.gz CIRLYOFHAUWUMU-DOTOQJQBSA-N 1 2 342.439 3.698 20 30 EHEDLO Cc1cc(Br)cn2c(CN(CCC#N)CC3CC3)c[nH+]c12 ZINC000273482688 1027452534 /nfs/dbraw/zinc/45/25/34/1027452534.db2.gz LGLCERHBBDUQIG-UHFFFAOYSA-N 1 2 347.260 3.531 20 30 EHEDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459344697 1027749858 /nfs/dbraw/zinc/74/98/58/1027749858.db2.gz UMZWASWFWZFBEG-KRWDZBQOSA-N 1 2 337.379 3.812 20 30 EHEDLO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459344697 1027749878 /nfs/dbraw/zinc/74/98/78/1027749878.db2.gz UMZWASWFWZFBEG-KRWDZBQOSA-N 1 2 337.379 3.812 20 30 EHEDLO C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CCS1 ZINC000347124516 1027859512 /nfs/dbraw/zinc/85/95/12/1027859512.db2.gz QBESQZGPRBYBJK-LLVKDONJSA-N 1 2 325.275 3.648 20 30 EHEDLO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CCS1 ZINC000347124516 1027859528 /nfs/dbraw/zinc/85/95/28/1027859528.db2.gz QBESQZGPRBYBJK-LLVKDONJSA-N 1 2 325.275 3.648 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948651 1027913766 /nfs/dbraw/zinc/91/37/66/1027913766.db2.gz NZGIRGAXCQMLNO-STQMWFEESA-N 1 2 339.361 3.550 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948651 1027913784 /nfs/dbraw/zinc/91/37/84/1027913784.db2.gz NZGIRGAXCQMLNO-STQMWFEESA-N 1 2 339.361 3.550 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000067129234 1028357757 /nfs/dbraw/zinc/35/77/57/1028357757.db2.gz IRZMXKKNNLFEOP-MRXNPFEDSA-N 1 2 343.496 3.858 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000067129234 1028357776 /nfs/dbraw/zinc/35/77/76/1028357776.db2.gz IRZMXKKNNLFEOP-MRXNPFEDSA-N 1 2 343.496 3.858 20 30 EHEDLO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C#N)CC2)cc1 ZINC000057880257 1028377030 /nfs/dbraw/zinc/37/70/30/1028377030.db2.gz DCTJMBDSZDUNKW-FQEVSTJZSA-N 1 2 349.434 3.611 20 30 EHEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000194417251 1028516788 /nfs/dbraw/zinc/51/67/88/1028516788.db2.gz AKVGROJVPGTQPY-HNNXBMFYSA-N 1 2 339.439 3.806 20 30 EHEDLO Cc1cc(C)c(NC(=O)[C@H](C)O[NH+]=C(N)c2ccccc2)c(Cl)c1 ZINC000021387776 1028553558 /nfs/dbraw/zinc/55/35/58/1028553558.db2.gz BFULDGRDWIIZKA-ZDUSSCGKSA-N 1 2 345.830 3.621 20 30 EHEDLO CC1(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000509665724 1028728611 /nfs/dbraw/zinc/72/86/11/1028728611.db2.gz TXAJTWZTNALIJQ-UHFFFAOYSA-N 1 2 339.483 3.563 20 30 EHEDLO COc1cc(C[NH2+]Cc2coc(-c3cccs3)n2)ccc1C#N ZINC000440811935 1028944532 /nfs/dbraw/zinc/94/45/32/1028944532.db2.gz ZOWPZLYYEIPNQZ-UHFFFAOYSA-N 1 2 325.393 3.573 20 30 EHEDLO Cc1nnc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000273625060 1029827297 /nfs/dbraw/zinc/82/72/97/1029827297.db2.gz RHDPWDQWAOSFQL-JTQLQIEISA-N 1 2 325.359 3.568 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000156945654 1030097368 /nfs/dbraw/zinc/09/73/68/1030097368.db2.gz NLJUQENZOHZAEQ-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000156945654 1030097383 /nfs/dbraw/zinc/09/73/83/1030097383.db2.gz NLJUQENZOHZAEQ-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000532126098 1030421573 /nfs/dbraw/zinc/42/15/73/1030421573.db2.gz UKIAHNNJCODRAU-AWEZNQCLSA-N 1 2 332.419 3.641 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000532126098 1030421583 /nfs/dbraw/zinc/42/15/83/1030421583.db2.gz UKIAHNNJCODRAU-AWEZNQCLSA-N 1 2 332.419 3.641 20 30 EHEDLO N#CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000343549678 1031341561 /nfs/dbraw/zinc/34/15/61/1031341561.db2.gz KJBZOCHWDLMENE-LJQANCHMSA-N 1 2 328.362 3.604 20 30 EHEDLO N#CCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000343549678 1031341575 /nfs/dbraw/zinc/34/15/75/1031341575.db2.gz KJBZOCHWDLMENE-LJQANCHMSA-N 1 2 328.362 3.604 20 30 EHEDLO CCc1ccc([C@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)cc1 ZINC000484548261 1031713374 /nfs/dbraw/zinc/71/33/74/1031713374.db2.gz BHRBPRXXRDUXRH-OAQYLSRUSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1ccc([C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)cc1 ZINC000484548261 1031713382 /nfs/dbraw/zinc/71/33/82/1031713382.db2.gz BHRBPRXXRDUXRH-OAQYLSRUSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1ccc([C@@H]2C[N@H+](Cc3cc(C#N)ccc3OC)CCO2)cc1 ZINC000484563865 1031743040 /nfs/dbraw/zinc/74/30/40/1031743040.db2.gz DUNWPRGIOCOVDC-NRFANRHFSA-N 1 2 336.435 3.703 20 30 EHEDLO CCc1ccc([C@@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)CCO2)cc1 ZINC000484563865 1031743056 /nfs/dbraw/zinc/74/30/56/1031743056.db2.gz DUNWPRGIOCOVDC-NRFANRHFSA-N 1 2 336.435 3.703 20 30 EHEDLO C=C(C)C[N@@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000181272861 1031963725 /nfs/dbraw/zinc/96/37/25/1031963725.db2.gz HKFCCUHXODJLSN-UHFFFAOYSA-N 1 2 329.469 3.641 20 30 EHEDLO C=C(C)C[N@H+](C)Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000181272861 1031963742 /nfs/dbraw/zinc/96/37/42/1031963742.db2.gz HKFCCUHXODJLSN-UHFFFAOYSA-N 1 2 329.469 3.641 20 30 EHEDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593014273 1033806085 /nfs/dbraw/zinc/80/60/85/1033806085.db2.gz GTRPHACDXSOYCO-LBPRGKRZSA-N 1 2 325.343 3.725 20 30 EHEDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593014273 1033806099 /nfs/dbraw/zinc/80/60/99/1033806099.db2.gz GTRPHACDXSOYCO-LBPRGKRZSA-N 1 2 325.343 3.725 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616610 1033900649 /nfs/dbraw/zinc/90/06/49/1033900649.db2.gz RZXBQLDNWVUPMC-NWDGAFQWSA-N 1 2 340.254 3.946 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616610 1033900661 /nfs/dbraw/zinc/90/06/61/1033900661.db2.gz RZXBQLDNWVUPMC-NWDGAFQWSA-N 1 2 340.254 3.946 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c(F)c1 ZINC000595717911 1033960486 /nfs/dbraw/zinc/96/04/86/1033960486.db2.gz QDTBUPAPWPVBIR-GOSISDBHSA-N 1 2 326.371 3.644 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c(F)c1 ZINC000595717911 1033960493 /nfs/dbraw/zinc/96/04/93/1033960493.db2.gz QDTBUPAPWPVBIR-GOSISDBHSA-N 1 2 326.371 3.644 20 30 EHEDLO COc1ccc(C(C)(C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1F ZINC000599598803 1034018000 /nfs/dbraw/zinc/01/80/00/1034018000.db2.gz WGYXMGIFSMEEAK-UHFFFAOYSA-N 1 2 343.358 3.639 20 30 EHEDLO N#Cc1ccc(CCNc2c(Br)ccc3[nH+]ccn32)cc1 ZINC001167682690 1034072243 /nfs/dbraw/zinc/07/22/43/1034072243.db2.gz NVZCXPMCRMTZAW-UHFFFAOYSA-N 1 2 341.212 3.623 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685520 1034112531 /nfs/dbraw/zinc/11/25/31/1034112531.db2.gz FFMVPEWCZDDVOF-KRWDZBQOSA-N 1 2 347.462 3.755 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685520 1034112535 /nfs/dbraw/zinc/11/25/35/1034112535.db2.gz FFMVPEWCZDDVOF-KRWDZBQOSA-N 1 2 347.462 3.755 20 30 EHEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000537618894 1034205539 /nfs/dbraw/zinc/20/55/39/1034205539.db2.gz PFEKJODKKAESPC-NVXWUHKLSA-N 1 2 332.469 3.564 20 30 EHEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000537618894 1034205553 /nfs/dbraw/zinc/20/55/53/1034205553.db2.gz PFEKJODKKAESPC-NVXWUHKLSA-N 1 2 332.469 3.564 20 30 EHEDLO C[C@]1(C#N)CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000612159537 1034309609 /nfs/dbraw/zinc/30/96/09/1034309609.db2.gz CNIVLWZTTLKFBE-OAHLLOKOSA-N 1 2 328.334 3.590 20 30 EHEDLO C[C@]1(C#N)CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000612159537 1034309622 /nfs/dbraw/zinc/30/96/22/1034309622.db2.gz CNIVLWZTTLKFBE-OAHLLOKOSA-N 1 2 328.334 3.590 20 30 EHEDLO N#Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C(F)(F)F ZINC000167122859 1034586208 /nfs/dbraw/zinc/58/62/08/1034586208.db2.gz ZVUQXMCVYKJSJF-OAHLLOKOSA-N 1 2 333.313 3.630 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)cc1 ZINC000534514539 1034619578 /nfs/dbraw/zinc/61/95/78/1034619578.db2.gz FYUNGYLPXQOFBR-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000571645872 1035580325 /nfs/dbraw/zinc/58/03/25/1035580325.db2.gz JQUNYYNDPYALBW-LLVKDONJSA-N 1 2 330.413 3.733 20 30 EHEDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000571645872 1035580341 /nfs/dbraw/zinc/58/03/41/1035580341.db2.gz JQUNYYNDPYALBW-LLVKDONJSA-N 1 2 330.413 3.733 20 30 EHEDLO N#Cc1c(Cl)cccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000492555930 1035999367 /nfs/dbraw/zinc/99/93/67/1035999367.db2.gz CKCDSTFMGXMLBI-LJQANCHMSA-N 1 2 341.842 3.697 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCSc2ccccc21)Cc1ccccc1 ZINC000302942311 1036902000 /nfs/dbraw/zinc/90/20/00/1036902000.db2.gz KGHUHDHZYBDNJJ-UHFFFAOYSA-N 1 2 338.476 3.814 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCSc2ccccc21)Cc1ccccc1 ZINC000302942311 1036902014 /nfs/dbraw/zinc/90/20/14/1036902014.db2.gz KGHUHDHZYBDNJJ-UHFFFAOYSA-N 1 2 338.476 3.814 20 30 EHEDLO Cc1cccn2c(C=CC(=O)c3ccc(C(F)(F)F)[nH]c3=O)c[nH+]c12 ZINC000255915961 1036905936 /nfs/dbraw/zinc/90/59/36/1036905936.db2.gz QYZOLZNZXRHOPH-XQRVVYSFSA-N 1 2 347.296 3.658 20 30 EHEDLO COc1cc(C[NH+]2CCN(c3ccccc3Cl)CC2)ccc1C#N ZINC000326147977 1037101278 /nfs/dbraw/zinc/10/12/78/1037101278.db2.gz LFSGXSOVDKHCSM-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000052074212 1037112142 /nfs/dbraw/zinc/11/21/42/1037112142.db2.gz BXYMPOCYFKNNQH-OAHLLOKOSA-N 1 2 331.435 3.503 20 30 EHEDLO C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000052074212 1037112148 /nfs/dbraw/zinc/11/21/48/1037112148.db2.gz BXYMPOCYFKNNQH-OAHLLOKOSA-N 1 2 331.435 3.503 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)ccc1OC ZINC000539817672 1037236839 /nfs/dbraw/zinc/23/68/39/1037236839.db2.gz TZZOZRBTBUJUBB-KRWDZBQOSA-N 1 2 347.455 3.566 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)ccc1OC ZINC000539817672 1037236850 /nfs/dbraw/zinc/23/68/50/1037236850.db2.gz TZZOZRBTBUJUBB-KRWDZBQOSA-N 1 2 347.455 3.566 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnc(-c2ccccc2OC)nc1)c1ccc(F)cc1 ZINC000491709703 1037633594 /nfs/dbraw/zinc/63/35/94/1037633594.db2.gz WWDFXTPYCNOWRJ-IBGZPJMESA-N 1 2 347.393 3.755 20 30 EHEDLO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000592060366 1037805655 /nfs/dbraw/zinc/80/56/55/1037805655.db2.gz KVGSULVJWAGHMW-OAHLLOKOSA-N 1 2 329.806 3.953 20 30 EHEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000592060366 1037805663 /nfs/dbraw/zinc/80/56/63/1037805663.db2.gz KVGSULVJWAGHMW-OAHLLOKOSA-N 1 2 329.806 3.953 20 30 EHEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000488252352 1039008668 /nfs/dbraw/zinc/00/86/68/1039008668.db2.gz SSEJZMBNJBVUQS-AWEZNQCLSA-N 1 2 348.406 3.776 20 30 EHEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000660299138 1040290347 /nfs/dbraw/zinc/29/03/47/1040290347.db2.gz XYCBWQIAAAIDSQ-ZWKOTPCHSA-N 1 2 342.487 3.616 20 30 EHEDLO N#CCCC[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000433018117 1040461876 /nfs/dbraw/zinc/46/18/76/1040461876.db2.gz CQSFFEZWWHXLNQ-CYBMUJFWSA-N 1 2 338.333 3.699 20 30 EHEDLO N#CCSc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029277743 1040483931 /nfs/dbraw/zinc/48/39/31/1040483931.db2.gz MGQSCBIIEUYJFP-UHFFFAOYSA-N 1 2 334.404 3.740 20 30 EHEDLO C=CCN(CC(F)(F)F)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000667547594 1040580303 /nfs/dbraw/zinc/58/03/03/1040580303.db2.gz QRPDWXPVEFHNIO-AWEZNQCLSA-N 1 2 337.345 3.509 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cnn(Cc4ccccc4)c3)n2c1 ZINC000151450932 1040935918 /nfs/dbraw/zinc/93/59/18/1040935918.db2.gz WOUIDKZMPDAAHD-CMDGGOBGSA-N 1 2 342.402 3.784 20 30 EHEDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000341594130 1042337026 /nfs/dbraw/zinc/33/70/26/1042337026.db2.gz ZVNGIGYDFXLXPW-UHFFFAOYSA-N 1 2 339.773 3.784 20 30 EHEDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000341594130 1042337030 /nfs/dbraw/zinc/33/70/30/1042337030.db2.gz ZVNGIGYDFXLXPW-UHFFFAOYSA-N 1 2 339.773 3.784 20 30 EHEDLO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1nnc2n1CCCCC2 ZINC000661940464 1042422385 /nfs/dbraw/zinc/42/23/85/1042422385.db2.gz UWBHWFQKWKMCFG-KRWDZBQOSA-N 1 2 342.874 3.750 20 30 EHEDLO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1nnc2n1CCCCC2 ZINC000661940465 1042422574 /nfs/dbraw/zinc/42/25/74/1042422574.db2.gz UWBHWFQKWKMCFG-QGZVFWFLSA-N 1 2 342.874 3.750 20 30 EHEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872484 1042566700 /nfs/dbraw/zinc/56/67/00/1042566700.db2.gz VBMPEYQNELYJRJ-ZWKOTPCHSA-N 1 2 338.407 3.728 20 30 EHEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000093872484 1042566704 /nfs/dbraw/zinc/56/67/04/1042566704.db2.gz VBMPEYQNELYJRJ-ZWKOTPCHSA-N 1 2 338.407 3.728 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000188272273 1042582790 /nfs/dbraw/zinc/58/27/90/1042582790.db2.gz QALJXPKNXUXEKT-UZLBHIALSA-N 1 2 330.472 3.503 20 30 EHEDLO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1OC ZINC000183501924 1125580809 /nfs/dbraw/zinc/58/08/09/1125580809.db2.gz RJXYDRRRKYWNCN-NSHDSACASA-N 1 2 332.350 3.704 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000195196089 1127474961 /nfs/dbraw/zinc/47/49/61/1127474961.db2.gz RGBQGQIFBKQABE-UHFFFAOYSA-N 1 2 336.435 3.558 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000195196089 1127474964 /nfs/dbraw/zinc/47/49/64/1127474964.db2.gz RGBQGQIFBKQABE-UHFFFAOYSA-N 1 2 336.435 3.558 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765032506 1127565261 /nfs/dbraw/zinc/56/52/61/1127565261.db2.gz WGGVXCKTKDMSQW-GJZGRUSLSA-N 1 2 343.500 3.740 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765032506 1127565263 /nfs/dbraw/zinc/56/52/63/1127565263.db2.gz WGGVXCKTKDMSQW-GJZGRUSLSA-N 1 2 343.500 3.740 20 30 EHEDLO N#Cc1cccc2c(Nc3ccc[nH+]c3N3CCOCC3)cccc12 ZINC001212362357 1127999087 /nfs/dbraw/zinc/99/90/87/1127999087.db2.gz LUKNMEOOIHJSHD-UHFFFAOYSA-N 1 2 330.391 3.687 20 30 EHEDLO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000186394108 1128423104 /nfs/dbraw/zinc/42/31/04/1128423104.db2.gz CNOZXUKOBWFIND-QGZVFWFLSA-N 1 2 348.450 3.777 20 30 EHEDLO Cc1nc(N2CCC(Oc3cccc(C#N)c3)CC2)c2c([nH+]1)CCCC2 ZINC000302045574 1128616511 /nfs/dbraw/zinc/61/65/11/1128616511.db2.gz KIXMWPPDGAKTKS-UHFFFAOYSA-N 1 2 348.450 3.583 20 30 EHEDLO C[N@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(C#N)cc1 ZINC000073615619 1128772657 /nfs/dbraw/zinc/77/26/57/1128772657.db2.gz MGLHPTBKFNWAMB-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(C#N)cc1 ZINC000073615619 1128772661 /nfs/dbraw/zinc/77/26/61/1128772661.db2.gz MGLHPTBKFNWAMB-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000781084553 1120999554 /nfs/dbraw/zinc/99/95/54/1120999554.db2.gz RLEDLMAMEOQCFK-INIZCTEOSA-N 1 2 328.416 3.986 20 30 EHEDLO C[C@@H](c1nc2ccccc2o1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272255527 1121140371 /nfs/dbraw/zinc/14/03/71/1121140371.db2.gz ITAUWRAIYDQGAI-INIZCTEOSA-N 1 2 346.434 3.578 20 30 EHEDLO O=c1[nH]c2ccccc2cc1C=NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920387082 1123363092 /nfs/dbraw/zinc/36/30/92/1123363092.db2.gz KREUJNGHBJKKOG-FMCGGJTJSA-N 1 2 346.365 3.884 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000077185262 1123537256 /nfs/dbraw/zinc/53/72/56/1123537256.db2.gz ULNXWRUYLYAUIO-CYBMUJFWSA-N 1 2 349.525 3.548 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000077185262 1123537259 /nfs/dbraw/zinc/53/72/59/1123537259.db2.gz ULNXWRUYLYAUIO-CYBMUJFWSA-N 1 2 349.525 3.548 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cnc(C)s1 ZINC000077185260 1123537600 /nfs/dbraw/zinc/53/76/00/1123537600.db2.gz ULNXWRUYLYAUIO-ZDUSSCGKSA-N 1 2 349.525 3.548 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cnc(C)s1 ZINC000077185260 1123537606 /nfs/dbraw/zinc/53/76/06/1123537606.db2.gz ULNXWRUYLYAUIO-ZDUSSCGKSA-N 1 2 349.525 3.548 20 30 EHEDLO C[C@@H](N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1)C(F)(F)F ZINC000135273582 1123596412 /nfs/dbraw/zinc/59/64/12/1123596412.db2.gz JMYKSFNUGNZSIL-CQSZACIVSA-N 1 2 339.405 3.556 20 30 EHEDLO CCc1ccc(C[NH+]2CCN(c3c(F)cc(C#N)cc3F)CC2)s1 ZINC000609965230 1123698831 /nfs/dbraw/zinc/69/88/31/1123698831.db2.gz MDGDSNSTDNPCHE-UHFFFAOYSA-N 1 2 347.434 3.783 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2OCC#N)on1 ZINC000735308163 1131328702 /nfs/dbraw/zinc/32/87/02/1131328702.db2.gz CVQWTWBOTIIMGC-HNNXBMFYSA-N 1 2 331.803 3.876 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2OCC#N)on1 ZINC000735308163 1131328706 /nfs/dbraw/zinc/32/87/06/1131328706.db2.gz CVQWTWBOTIIMGC-HNNXBMFYSA-N 1 2 331.803 3.876 20 30 EHEDLO CC[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000735311802 1131334334 /nfs/dbraw/zinc/33/43/34/1131334334.db2.gz VTIXUYSWOAMFNE-LSDHHAIUSA-N 1 2 341.480 3.985 20 30 EHEDLO NC(=[NH+]OCc1ccccc1OC(F)F)c1ccc(Cl)cc1 ZINC000735488540 1131349939 /nfs/dbraw/zinc/34/99/39/1131349939.db2.gz TYRNGCNAGKIRCW-UHFFFAOYSA-N 1 2 326.730 3.779 20 30 EHEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1 ZINC000070851505 1125408412 /nfs/dbraw/zinc/40/84/12/1125408412.db2.gz MVTLRHLMSBRAMB-CYBMUJFWSA-N 1 2 343.402 3.613 20 30 EHEDLO N#Cc1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1Cl ZINC000068428106 1129369724 /nfs/dbraw/zinc/36/97/24/1129369724.db2.gz DGCLNDMGSNPVPS-INIZCTEOSA-N 1 2 347.871 3.759 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(Cl)c1 ZINC000069219489 1129432722 /nfs/dbraw/zinc/43/27/22/1129432722.db2.gz ONUIFMSVFJAVFF-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(Cl)c1 ZINC000069219489 1129432724 /nfs/dbraw/zinc/43/27/24/1129432724.db2.gz ONUIFMSVFJAVFF-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000118396260 1129507830 /nfs/dbraw/zinc/50/78/30/1129507830.db2.gz YXRQSQMWDFDEHC-QGZVFWFLSA-N 1 2 339.483 3.734 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3c(F)cccc3F)CC2)c1 ZINC000092034449 1129530882 /nfs/dbraw/zinc/53/08/82/1129530882.db2.gz RBBZIQFFPJCERL-UHFFFAOYSA-N 1 2 328.362 3.880 20 30 EHEDLO C=CCc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc(OC)c1O ZINC000922520660 1129560328 /nfs/dbraw/zinc/56/03/28/1129560328.db2.gz NLSLMPFJYQSXAG-QFBILLFUSA-N 1 2 343.398 3.691 20 30 EHEDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000029157836 1129863502 /nfs/dbraw/zinc/86/35/02/1129863502.db2.gz CLRFFMMQWWZLEZ-GFCCVEGCSA-N 1 2 331.803 3.572 20 30 EHEDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000029157836 1129863507 /nfs/dbraw/zinc/86/35/07/1129863507.db2.gz CLRFFMMQWWZLEZ-GFCCVEGCSA-N 1 2 331.803 3.572 20 30 EHEDLO CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000172048004 1130102439 /nfs/dbraw/zinc/10/24/39/1130102439.db2.gz UZPJMHRZEVCZDJ-MRXNPFEDSA-N 1 2 344.418 3.967 20 30 EHEDLO CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000727972910 1130615767 /nfs/dbraw/zinc/61/57/67/1130615767.db2.gz KZIMWIVQDMRAQR-UHFFFAOYSA-N 1 2 335.367 3.925 20 30 EHEDLO C(=NNc1cc[nH+]c2ccccc12)c1cnc(-c2ccccc2)nc1 ZINC000730146414 1130678421 /nfs/dbraw/zinc/67/84/21/1130678421.db2.gz VLHQNLMJUGQYBK-UHFFFAOYSA-N 1 2 325.375 3.560 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)Cn1nc(C)c(Br)c1C ZINC000731656895 1130823796 /nfs/dbraw/zinc/82/37/96/1130823796.db2.gz LIYZXLXJATUNSS-UHFFFAOYSA-N 1 2 334.261 3.908 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)Cn1nc(C)c(Br)c1C ZINC000731656895 1130823802 /nfs/dbraw/zinc/82/38/02/1130823802.db2.gz LIYZXLXJATUNSS-UHFFFAOYSA-N 1 2 334.261 3.908 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2ccccc2C)c1 ZINC000732660428 1130944413 /nfs/dbraw/zinc/94/44/13/1130944413.db2.gz TYVBLCDSIAIJJJ-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2ccccc2C)c1 ZINC000732660428 1130944416 /nfs/dbraw/zinc/94/44/16/1130944416.db2.gz TYVBLCDSIAIJJJ-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCCCC[C@H]2C)c1=S ZINC000738227478 1131464043 /nfs/dbraw/zinc/46/40/43/1131464043.db2.gz VOEHMFCHWPHUHN-OAHLLOKOSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCCCC[C@H]2C)c1=S ZINC000738227478 1131464046 /nfs/dbraw/zinc/46/40/46/1131464046.db2.gz VOEHMFCHWPHUHN-OAHLLOKOSA-N 1 2 343.500 3.884 20 30 EHEDLO CC(=[NH+]Nc1cccc(F)c1)c1c(F)cccc1N1CCOCC1 ZINC000741163061 1131582054 /nfs/dbraw/zinc/58/20/54/1131582054.db2.gz NNNBJFMYBQHXRQ-UHFFFAOYSA-N 1 2 331.366 3.638 20 30 EHEDLO C=C(Cl)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000766272247 1131629108 /nfs/dbraw/zinc/62/91/08/1131629108.db2.gz ZKXZXXXDSHGEDR-UHFFFAOYSA-N 1 2 333.690 3.906 20 30 EHEDLO N#Cc1c(Cl)ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1Cl ZINC001212672601 1131790896 /nfs/dbraw/zinc/79/08/96/1131790896.db2.gz SEHLZBPEHUEKMP-UHFFFAOYSA-N 1 2 348.233 3.785 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC(C)(C)C2)c1=S ZINC000743389781 1131909011 /nfs/dbraw/zinc/90/90/11/1131909011.db2.gz CRWSNGNVFNCRLC-UHFFFAOYSA-N 1 2 342.512 3.880 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC(C)(C)C2)c1=S ZINC000743389781 1131909021 /nfs/dbraw/zinc/90/90/21/1131909021.db2.gz CRWSNGNVFNCRLC-UHFFFAOYSA-N 1 2 342.512 3.880 20 30 EHEDLO C#CCC[NH+]1CCN(C(=O)c2sc3cccc(C)c3c2Cl)CC1 ZINC000744366100 1132081555 /nfs/dbraw/zinc/08/15/55/1132081555.db2.gz BEOZKEJTJUSHIR-UHFFFAOYSA-N 1 2 346.883 3.644 20 30 EHEDLO C[C@@H]1CC([NH2+]C2(C#N)CCCCC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173676189 1132118455 /nfs/dbraw/zinc/11/84/55/1132118455.db2.gz LRGLIAVPZKACIL-HUUCEWRRSA-N 1 2 335.492 3.979 20 30 EHEDLO N#Cc1cccc([C@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC001169224897 1132701187 /nfs/dbraw/zinc/70/11/87/1132701187.db2.gz JEAWQLVJMBRZKH-LJQANCHMSA-N 1 2 328.362 3.534 20 30 EHEDLO N#Cc1cccc([C@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC001169224897 1132701189 /nfs/dbraw/zinc/70/11/89/1132701189.db2.gz JEAWQLVJMBRZKH-LJQANCHMSA-N 1 2 328.362 3.534 20 30 EHEDLO C[C@](C#N)(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1Cl ZINC001169379822 1132737758 /nfs/dbraw/zinc/73/77/58/1132737758.db2.gz SPSAGYBVMWGXTH-GOSISDBHSA-N 1 2 337.814 3.831 20 30 EHEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC001169843692 1132874222 /nfs/dbraw/zinc/87/42/22/1132874222.db2.gz HQZUJKPFTUXGFM-HNNXBMFYSA-N 1 2 333.435 3.706 20 30 EHEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC001169843692 1132874232 /nfs/dbraw/zinc/87/42/32/1132874232.db2.gz HQZUJKPFTUXGFM-HNNXBMFYSA-N 1 2 333.435 3.706 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1nc(C(F)(F)F)cs1 ZINC000767377171 1132992279 /nfs/dbraw/zinc/99/22/79/1132992279.db2.gz GVXFYHUZRCMURW-UHFFFAOYSA-N 1 2 336.342 3.968 20 30 EHEDLO C=CC[C@@H](NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC001176973396 1133017354 /nfs/dbraw/zinc/01/73/54/1133017354.db2.gz JCJVILHETTXZLA-RTBURBONSA-N 1 2 335.451 3.732 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)cc1Cl ZINC001178408674 1133167491 /nfs/dbraw/zinc/16/74/91/1133167491.db2.gz CXTGTDWUXHLIOC-LBPRGKRZSA-N 1 2 334.851 3.997 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)CCc2ccc(-c3ccccc3)cc2)CC1 ZINC001180944574 1133434144 /nfs/dbraw/zinc/43/41/44/1133434144.db2.gz ZITVQTKWQHKCKJ-UHFFFAOYSA-N 1 2 334.463 3.616 20 30 EHEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000771160709 1133512945 /nfs/dbraw/zinc/51/29/45/1133512945.db2.gz AKTGUUVWCYQXJX-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000771160709 1133512946 /nfs/dbraw/zinc/51/29/46/1133512946.db2.gz AKTGUUVWCYQXJX-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)C[C@H](C)Sc2ccc(Cl)cc2)CC1 ZINC001181767045 1133524059 /nfs/dbraw/zinc/52/40/59/1133524059.db2.gz NXWABJUCMDCRRU-AWEZNQCLSA-N 1 2 338.904 3.541 20 30 EHEDLO N#Cc1ccc(OC2C[NH+](Cc3cc4c(cccc4O)s3)C2)cc1 ZINC001182216039 1133597281 /nfs/dbraw/zinc/59/72/81/1133597281.db2.gz KPXKJRSOKAGYEU-UHFFFAOYSA-N 1 2 336.416 3.742 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)NCC(C)(C)S)c1ccccc1Cl ZINC001182223828 1133598830 /nfs/dbraw/zinc/59/88/30/1133598830.db2.gz LROCFKXQQUWCTM-CQSZACIVSA-N 1 2 328.909 3.548 20 30 EHEDLO C=CCOC(=O)c1ccc(Nc2ccc[nH+]c2N2CCCC2)c(F)c1 ZINC001184967920 1134009325 /nfs/dbraw/zinc/00/93/25/1134009325.db2.gz GSYCYKUZBAWOPR-UHFFFAOYSA-N 1 2 341.386 3.907 20 30 EHEDLO Cc1cc(CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)cc(C)[nH+]1 ZINC001186738122 1134249847 /nfs/dbraw/zinc/24/98/47/1134249847.db2.gz AEANIOJLPINGHM-UHFFFAOYSA-N 1 2 342.324 3.570 20 30 EHEDLO Cc1ccnc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000790501590 1134428174 /nfs/dbraw/zinc/42/81/74/1134428174.db2.gz YBPFNHHEEQHGJP-UHFFFAOYSA-N 1 2 347.418 3.806 20 30 EHEDLO C=C(C)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001190223923 1134668657 /nfs/dbraw/zinc/66/86/57/1134668657.db2.gz DJHIXPKAPDGBRM-SFHVURJKSA-N 1 2 348.437 3.751 20 30 EHEDLO CC(C)(C#N)c1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001190938731 1134766953 /nfs/dbraw/zinc/76/69/53/1134766953.db2.gz YHHDGTHOKDQSJL-UHFFFAOYSA-N 1 2 344.418 3.985 20 30 EHEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H](CSC)C2)c1=S ZINC000793796823 1134991157 /nfs/dbraw/zinc/99/11/57/1134991157.db2.gz NBIICUWBSSPYFS-ZDUSSCGKSA-N 1 2 338.546 3.510 20 30 EHEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H](CSC)C2)c1=S ZINC000793796823 1134991162 /nfs/dbraw/zinc/99/11/62/1134991162.db2.gz NBIICUWBSSPYFS-ZDUSSCGKSA-N 1 2 338.546 3.510 20 30 EHEDLO C=CCOc1cccnc1C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000775529795 1135022698 /nfs/dbraw/zinc/02/26/98/1135022698.db2.gz WLMGOARVABQYQS-UHFFFAOYSA-N 1 2 348.406 3.906 20 30 EHEDLO C#CCOc1ccccc1C[NH2+][C@@H](COC)c1cccc(Cl)c1F ZINC000806146088 1135401133 /nfs/dbraw/zinc/40/11/33/1135401133.db2.gz JWBKDSZMKRQPPS-KRWDZBQOSA-N 1 2 347.817 3.968 20 30 EHEDLO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000775785989 1135738211 /nfs/dbraw/zinc/73/82/11/1135738211.db2.gz RBQJVGLVNGQTIF-KCQAQPDRSA-N 1 2 327.453 3.593 20 30 EHEDLO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000775785989 1135738214 /nfs/dbraw/zinc/73/82/14/1135738214.db2.gz RBQJVGLVNGQTIF-KCQAQPDRSA-N 1 2 327.453 3.593 20 30 EHEDLO C#CCC1(c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)CCCCC1 ZINC000809367370 1135832821 /nfs/dbraw/zinc/83/28/21/1135832821.db2.gz LDSGWDFKRPDEGW-UHFFFAOYSA-N 1 2 334.423 3.842 20 30 EHEDLO C#Cc1ccc(C[NH2+]Cc2csc(COc3ccccc3)n2)cc1 ZINC000809644636 1135865040 /nfs/dbraw/zinc/86/50/40/1135865040.db2.gz UBMRNSOGXUYANG-UHFFFAOYSA-N 1 2 334.444 3.993 20 30 EHEDLO C=CCOCCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000850530842 1136280011 /nfs/dbraw/zinc/28/00/11/1136280011.db2.gz DVONIXHXJYAFED-JTQLQIEISA-N 1 2 332.213 3.537 20 30 EHEDLO Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852324871 1136448454 /nfs/dbraw/zinc/44/84/54/1136448454.db2.gz DBBBBSLTXBSMLA-NRFANRHFSA-N 1 2 335.451 3.635 20 30 EHEDLO Cc1ccc(C)c(OCC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852324871 1136448457 /nfs/dbraw/zinc/44/84/57/1136448457.db2.gz DBBBBSLTXBSMLA-NRFANRHFSA-N 1 2 335.451 3.635 20 30 EHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000748049467 1136682957 /nfs/dbraw/zinc/68/29/57/1136682957.db2.gz BLGNMESLNVDRDM-UHFFFAOYSA-N 1 2 329.346 3.508 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000748049467 1136682959 /nfs/dbraw/zinc/68/29/59/1136682959.db2.gz BLGNMESLNVDRDM-UHFFFAOYSA-N 1 2 329.346 3.508 20 30 EHEDLO CC[N@H+](CCS(=O)(=O)C1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000856722488 1136803013 /nfs/dbraw/zinc/80/30/13/1136803013.db2.gz TVHKGZCHXSHBNC-MRXNPFEDSA-N 1 2 348.512 3.689 20 30 EHEDLO CC[N@@H+](CCS(=O)(=O)C1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000856722488 1136803020 /nfs/dbraw/zinc/80/30/20/1136803020.db2.gz TVHKGZCHXSHBNC-MRXNPFEDSA-N 1 2 348.512 3.689 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc2c(c1)OCCCO2 ZINC000820651535 1137001438 /nfs/dbraw/zinc/00/14/38/1137001438.db2.gz HMZHAMFEOPAJBD-UHFFFAOYSA-N 1 2 338.407 3.647 20 30 EHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc3ccccc3cc2OC)cc1 ZINC001170984131 1137054712 /nfs/dbraw/zinc/05/47/12/1137054712.db2.gz NGTDMYKDJBXNLA-UHFFFAOYSA-N 1 2 334.375 3.672 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000794649987 1137223554 /nfs/dbraw/zinc/22/35/54/1137223554.db2.gz DWUYJMIHVVBRRD-UHFFFAOYSA-N 1 2 347.846 3.667 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1nc(C(=O)OC)c(Cl)c1C ZINC000794649987 1137223556 /nfs/dbraw/zinc/22/35/56/1137223556.db2.gz DWUYJMIHVVBRRD-UHFFFAOYSA-N 1 2 347.846 3.667 20 30 EHEDLO COc1ccc(-c2ncc(C[N@@H+]3CC[C@](C)(C#N)C3)s2)cc1OC ZINC001144071252 1137234911 /nfs/dbraw/zinc/23/49/11/1137234911.db2.gz UTWDVMZUZDXOJB-GOSISDBHSA-N 1 2 343.452 3.563 20 30 EHEDLO COc1ccc(-c2ncc(C[N@H+]3CC[C@](C)(C#N)C3)s2)cc1OC ZINC001144071252 1137234912 /nfs/dbraw/zinc/23/49/12/1137234912.db2.gz UTWDVMZUZDXOJB-GOSISDBHSA-N 1 2 343.452 3.563 20 30 EHEDLO COc1cccc2cc(C(=O)/C=C/c3ncc(C[NH+](C)C)s3)oc21 ZINC000794699888 1137235883 /nfs/dbraw/zinc/23/58/83/1137235883.db2.gz ULSGWRGNPFQWKZ-BQYQJAHWSA-N 1 2 342.420 3.856 20 30 EHEDLO CSCC[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171183720 1137293529 /nfs/dbraw/zinc/29/35/29/1137293529.db2.gz JIVNVEPIXAQJPE-YOEHRIQHSA-N 1 2 348.512 3.542 20 30 EHEDLO CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171183173 1137293680 /nfs/dbraw/zinc/29/36/80/1137293680.db2.gz BSIJXVNYXTXHEZ-MPGHIAIKSA-N 1 2 330.472 3.835 20 30 EHEDLO COc1ccc(COCCC[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866256751 1137339927 /nfs/dbraw/zinc/33/99/27/1137339927.db2.gz PIOIMEZGBTTZIQ-HNNXBMFYSA-N 1 2 340.423 3.530 20 30 EHEDLO C[C@H](C#N)Oc1ccc(CNc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC000772937741 1137352029 /nfs/dbraw/zinc/35/20/29/1137352029.db2.gz RQHLVRXIIGTWJK-MRXNPFEDSA-N 1 2 336.439 3.975 20 30 EHEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000847032336 1137383804 /nfs/dbraw/zinc/38/38/04/1137383804.db2.gz SMRSQCRFAMUQEP-RYUDHWBXSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000847032336 1137383806 /nfs/dbraw/zinc/38/38/06/1137383806.db2.gz SMRSQCRFAMUQEP-RYUDHWBXSA-N 1 2 325.239 3.666 20 30 EHEDLO C=C(Br)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001171707224 1137505338 /nfs/dbraw/zinc/50/53/38/1137505338.db2.gz PSFNBNVPCJEPPW-AWEZNQCLSA-N 1 2 330.653 3.532 20 30 EHEDLO C=C(Br)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001171707224 1137505340 /nfs/dbraw/zinc/50/53/40/1137505340.db2.gz PSFNBNVPCJEPPW-AWEZNQCLSA-N 1 2 330.653 3.532 20 30 EHEDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1F ZINC001171714441 1137505820 /nfs/dbraw/zinc/50/58/20/1137505820.db2.gz QPCTUSZFNCKRSX-KRWDZBQOSA-N 1 2 336.370 3.988 20 30 EHEDLO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876636 1137515099 /nfs/dbraw/zinc/51/50/99/1137515099.db2.gz GQFWHQDALCAPNA-GOSISDBHSA-N 1 2 326.415 3.968 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H](C)COC ZINC001171917504 1137518269 /nfs/dbraw/zinc/51/82/69/1137518269.db2.gz YBKCJQOJJRYASE-KRWDZBQOSA-N 1 2 338.451 3.815 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H](C)COC ZINC001171917504 1137518271 /nfs/dbraw/zinc/51/82/71/1137518271.db2.gz YBKCJQOJJRYASE-KRWDZBQOSA-N 1 2 338.451 3.815 20 30 EHEDLO C=C(C)CC[NH2+]c1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000871850426 1137560566 /nfs/dbraw/zinc/56/05/66/1137560566.db2.gz BMZCPCALCMQSID-CYBMUJFWSA-N 1 2 339.277 3.646 20 30 EHEDLO Cc1ccc(Br)c(N2CCC[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000872443187 1137580250 /nfs/dbraw/zinc/58/02/50/1137580250.db2.gz VFVUZBSOMILCDQ-ZDUSSCGKSA-N 1 2 345.244 3.667 20 30 EHEDLO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(OC)c1OC ZINC000873149478 1137591419 /nfs/dbraw/zinc/59/14/19/1137591419.db2.gz PDJHNVVZWMCKIQ-KRWDZBQOSA-N 1 2 328.387 3.955 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876810334 1137662247 /nfs/dbraw/zinc/66/22/47/1137662247.db2.gz ROZXZAHVGOBWLJ-ZDUSSCGKSA-N 1 2 349.862 3.550 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876810334 1137662248 /nfs/dbraw/zinc/66/22/48/1137662248.db2.gz ROZXZAHVGOBWLJ-ZDUSSCGKSA-N 1 2 349.862 3.550 20 30 EHEDLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000879750457 1137757953 /nfs/dbraw/zinc/75/79/53/1137757953.db2.gz RABGNLVRXDEZJS-SFHVURJKSA-N 1 2 345.406 3.649 20 30 EHEDLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000879750457 1137757954 /nfs/dbraw/zinc/75/79/54/1137757954.db2.gz RABGNLVRXDEZJS-SFHVURJKSA-N 1 2 345.406 3.649 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000337185796 1138488974 /nfs/dbraw/zinc/48/89/74/1138488974.db2.gz OZWVZRIDNVRLEZ-QFIPXVFZSA-N 1 2 342.446 3.617 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000173904334 1139386031 /nfs/dbraw/zinc/38/60/31/1139386031.db2.gz FXACRIDBMNFCOB-LSDHHAIUSA-N 1 2 332.407 3.944 20 30 EHEDLO CC(C)[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nc(C2CC2)no1 ZINC000179830410 1139786885 /nfs/dbraw/zinc/78/68/85/1139786885.db2.gz VTVCNGRTMQFMPH-INIZCTEOSA-N 1 2 329.831 3.939 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000187137740 1140240986 /nfs/dbraw/zinc/24/09/86/1140240986.db2.gz TYVHQHPZCXJFFK-LJQANCHMSA-N 1 2 348.874 3.762 20 30 EHEDLO C=C(C)C[N@@H+](CC)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000266688876 1140716564 /nfs/dbraw/zinc/71/65/64/1140716564.db2.gz VDDLQRNOFVSAFJ-UHFFFAOYSA-N 1 2 329.469 3.722 20 30 EHEDLO C=C(C)C[N@H+](CC)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000266688876 1140716568 /nfs/dbraw/zinc/71/65/68/1140716568.db2.gz VDDLQRNOFVSAFJ-UHFFFAOYSA-N 1 2 329.469 3.722 20 30 EHEDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271678140 1141417210 /nfs/dbraw/zinc/41/72/10/1141417210.db2.gz OKZZQDXBSKWVKX-AWEZNQCLSA-N 1 2 348.406 3.776 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000348571219 1141553499 /nfs/dbraw/zinc/55/34/99/1141553499.db2.gz BYXUMXZCLPHZNX-HNNXBMFYSA-N 1 2 332.407 3.577 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc2cc(C)ccn12 ZINC000348875221 1141601647 /nfs/dbraw/zinc/60/16/47/1141601647.db2.gz KIONSQRLYUWPHE-UHFFFAOYSA-N 1 2 337.471 3.998 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc2cc(C)ccn12 ZINC000348875221 1141601650 /nfs/dbraw/zinc/60/16/50/1141601650.db2.gz KIONSQRLYUWPHE-UHFFFAOYSA-N 1 2 337.471 3.998 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000349032805 1141624619 /nfs/dbraw/zinc/62/46/19/1141624619.db2.gz MRXHERQVIOBUEP-UHFFFAOYSA-N 1 2 332.382 3.863 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000349032805 1141624622 /nfs/dbraw/zinc/62/46/22/1141624622.db2.gz MRXHERQVIOBUEP-UHFFFAOYSA-N 1 2 332.382 3.863 20 30 EHEDLO C=CCCCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000274569191 1014247931 /nfs/dbraw/zinc/24/79/31/1014247931.db2.gz HBMKZECNZDSJBT-IAGOWNOFSA-N 1 2 345.487 3.774 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000471152921 1014968569 /nfs/dbraw/zinc/96/85/69/1014968569.db2.gz WWTBHKIPUKGHBL-IBGZPJMESA-N 1 2 325.843 3.722 20 30 EHEDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459423882 1032107127 /nfs/dbraw/zinc/10/71/27/1032107127.db2.gz FNOOAHCRDRIYPM-CYBMUJFWSA-N 1 2 327.306 3.629 20 30 EHEDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459423882 1032107139 /nfs/dbraw/zinc/10/71/39/1032107139.db2.gz FNOOAHCRDRIYPM-CYBMUJFWSA-N 1 2 327.306 3.629 20 30 EHEDLO N#Cc1ccc(CC[NH+]2CC(Oc3ccccc3C(F)(F)F)C2)cc1 ZINC001208926001 1015614705 /nfs/dbraw/zinc/61/47/05/1015614705.db2.gz DASIGXOFRNVATF-UHFFFAOYSA-N 1 2 346.352 3.883 20 30 EHEDLO COc1cc(C#N)ccc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001209259979 1016030744 /nfs/dbraw/zinc/03/07/44/1016030744.db2.gz KVQANNWDFXVUCH-UHFFFAOYSA-N 1 2 343.184 3.721 20 30 EHEDLO CCCCCCC[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001626364870 1016143154 /nfs/dbraw/zinc/14/31/54/1016143154.db2.gz WDDNZTJDZHJCEY-MAUKXSAKSA-N 1 2 334.508 3.903 20 30 EHEDLO CCCCCCC[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001626364870 1016143162 /nfs/dbraw/zinc/14/31/62/1016143162.db2.gz WDDNZTJDZHJCEY-MAUKXSAKSA-N 1 2 334.508 3.903 20 30 EHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328641905 1016261057 /nfs/dbraw/zinc/26/10/57/1016261057.db2.gz DLYRLCWOOPYPPT-GVDBMIGSSA-N 1 2 344.503 3.624 20 30 EHEDLO C#Cc1cccc(N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C(C)C)c1 ZINC000728246618 1016932671 /nfs/dbraw/zinc/93/26/71/1016932671.db2.gz AXIGXOOINSDLAU-UHFFFAOYSA-N 1 2 343.430 3.968 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000537232148 1032571203 /nfs/dbraw/zinc/57/12/03/1032571203.db2.gz NZZRTWDJERENDU-OAHLLOKOSA-N 1 2 331.485 3.737 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000602007152 1032591210 /nfs/dbraw/zinc/59/12/10/1032591210.db2.gz WFGNKAWRQGMKFQ-UHFFFAOYSA-N 1 2 338.430 3.763 20 30 EHEDLO CC(C)C[C@H](C(=O)Nc1ccc(OC(C)C)c(C#N)c1)n1cc[nH+]c1 ZINC000602122551 1032649363 /nfs/dbraw/zinc/64/93/63/1032649363.db2.gz FNDUQVICDJDWBL-QGZVFWFLSA-N 1 2 340.427 3.768 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2C)c(C#N)c1C ZINC000177294372 1017610289 /nfs/dbraw/zinc/61/02/89/1017610289.db2.gz RFBBLHWAGKEJNQ-GFCCVEGCSA-N 1 2 339.464 3.622 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2C)c(C#N)c1C ZINC000177294372 1017610296 /nfs/dbraw/zinc/61/02/96/1017610296.db2.gz RFBBLHWAGKEJNQ-GFCCVEGCSA-N 1 2 339.464 3.622 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)CCC(C)C)c1=S ZINC000122517996 1017943073 /nfs/dbraw/zinc/94/30/73/1017943073.db2.gz KXKJSMXEXSMOQO-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)CCC(C)C)c1=S ZINC000122517996 1017943082 /nfs/dbraw/zinc/94/30/82/1017943082.db2.gz KXKJSMXEXSMOQO-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO CCOc1ccc(-c2nc(CO[NH+]=C(N)c3ccccc3)co2)cc1 ZINC000178770369 1018617213 /nfs/dbraw/zinc/61/72/13/1018617213.db2.gz DDPDOQHMGZTYAX-UHFFFAOYSA-N 1 2 337.379 3.577 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)c2c(C#N)cnc3ccccc32)c1C ZINC000433773066 1019586702 /nfs/dbraw/zinc/58/67/02/1019586702.db2.gz GIHPIQOEOSDERC-UHFFFAOYSA-N 1 2 332.407 3.763 20 30 EHEDLO C=CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000121260053 1020221922 /nfs/dbraw/zinc/22/19/22/1020221922.db2.gz IOAKBWITTKBZCC-SFHVURJKSA-N 1 2 339.395 3.701 20 30 EHEDLO C=CC[N@H+](C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000121260053 1020221928 /nfs/dbraw/zinc/22/19/28/1020221928.db2.gz IOAKBWITTKBZCC-SFHVURJKSA-N 1 2 339.395 3.701 20 30 EHEDLO Cc1cccc2[nH]c(C[N@@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)cc21 ZINC000897596939 1032890986 /nfs/dbraw/zinc/89/09/86/1032890986.db2.gz XFNKJHXSYRTRNF-OAQYLSRUSA-N 1 2 331.419 3.922 20 30 EHEDLO Cc1cccc2[nH]c(C[N@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)cc21 ZINC000897596939 1032891001 /nfs/dbraw/zinc/89/10/01/1032891001.db2.gz XFNKJHXSYRTRNF-OAQYLSRUSA-N 1 2 331.419 3.922 20 30 EHEDLO COc1cc(C)c(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1OC ZINC000255266373 1020420343 /nfs/dbraw/zinc/42/03/43/1020420343.db2.gz RGVKLGFIIGPRBP-SREVYHEPSA-N 1 2 336.391 3.864 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c(Cl)c1 ZINC000439442971 1021443481 /nfs/dbraw/zinc/44/34/81/1021443481.db2.gz SQLNGCNXCJXEMS-QGZVFWFLSA-N 1 2 330.815 3.986 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c(Cl)c1 ZINC000439442971 1021443487 /nfs/dbraw/zinc/44/34/87/1021443487.db2.gz SQLNGCNXCJXEMS-QGZVFWFLSA-N 1 2 330.815 3.986 20 30 EHEDLO C#C[C@@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccc(Br)cc1 ZINC000894872173 1021552314 /nfs/dbraw/zinc/55/23/14/1021552314.db2.gz ZBYAZJITCJLZBE-SJKOYZFVSA-N 1 2 344.256 3.881 20 30 EHEDLO C=CC[N@@H+](Cc1c(C)cc(C(C)(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000440292251 1022070439 /nfs/dbraw/zinc/07/04/39/1022070439.db2.gz GRJGAXOSSRWXPD-GOSISDBHSA-N 1 2 349.540 3.776 20 30 EHEDLO C=CC[N@H+](Cc1c(C)cc(C(C)(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000440292251 1022070453 /nfs/dbraw/zinc/07/04/53/1022070453.db2.gz GRJGAXOSSRWXPD-GOSISDBHSA-N 1 2 349.540 3.776 20 30 EHEDLO N#Cc1c2c(cnc1N[C@H]1CC[C@H](Nc3cccc[nH+]3)CC1)CCC2 ZINC000517361210 1022267519 /nfs/dbraw/zinc/26/75/19/1022267519.db2.gz GQKRPHXZVXJTCG-WKILWMFISA-N 1 2 333.439 3.672 20 30 EHEDLO O=C(NC1CCCC1)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328770990 1022486077 /nfs/dbraw/zinc/48/60/77/1022486077.db2.gz JCYQZKIVAHDIJN-MRXNPFEDSA-N 1 2 332.448 3.757 20 30 EHEDLO O=C(NC1CCCC1)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328770990 1022486085 /nfs/dbraw/zinc/48/60/85/1022486085.db2.gz JCYQZKIVAHDIJN-MRXNPFEDSA-N 1 2 332.448 3.757 20 30 EHEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3CCCC3)C2)no1 ZINC000328854144 1022516477 /nfs/dbraw/zinc/51/64/77/1022516477.db2.gz WJVSAFYLMIGUFA-UONOGXRCSA-N 1 2 334.464 3.660 20 30 EHEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3CCCC3)C2)no1 ZINC000328854144 1022516486 /nfs/dbraw/zinc/51/64/86/1022516486.db2.gz WJVSAFYLMIGUFA-UONOGXRCSA-N 1 2 334.464 3.660 20 30 EHEDLO CC(C)Cn1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C(F)F)n1 ZINC000328903817 1022522181 /nfs/dbraw/zinc/52/21/81/1022522181.db2.gz IKQYKNSWFBNWEQ-LLVKDONJSA-N 1 2 337.374 3.524 20 30 EHEDLO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328905756 1022541318 /nfs/dbraw/zinc/54/13/18/1022541318.db2.gz AZVCDKNYTAWRSB-AWEZNQCLSA-N 1 2 349.438 3.810 20 30 EHEDLO C=CCC(C)(C)c1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665001324 1022625825 /nfs/dbraw/zinc/62/58/25/1022625825.db2.gz UBVIUSLUUDTNNC-NVXWUHKLSA-N 1 2 341.455 3.885 20 30 EHEDLO C=CCC(C)(C)c1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665001324 1022625830 /nfs/dbraw/zinc/62/58/30/1022625830.db2.gz UBVIUSLUUDTNNC-NVXWUHKLSA-N 1 2 341.455 3.885 20 30 EHEDLO CC(C)(C)C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)C(F)(F)F ZINC000330723632 1022661303 /nfs/dbraw/zinc/66/13/03/1022661303.db2.gz ILYJGAPBVUEKIK-LBPRGKRZSA-N 1 2 346.397 3.590 20 30 EHEDLO CC(C)c1ccc([C@@H](NC(=O)C[NH+]2CCC(C#N)CC2)C(C)C)cc1 ZINC000057906613 1023299580 /nfs/dbraw/zinc/29/95/80/1023299580.db2.gz UXXZWEYWVAVSDY-NRFANRHFSA-N 1 2 341.499 3.859 20 30 EHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000341998820 1023749231 /nfs/dbraw/zinc/74/92/31/1023749231.db2.gz VUSRHXIUNHMPHA-LBPRGKRZSA-N 1 2 328.334 3.564 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063300920 1033167521 /nfs/dbraw/zinc/16/75/21/1033167521.db2.gz RFLDZIHCTPMZSP-UHFFFAOYSA-N 1 2 347.462 3.988 20 30 EHEDLO C=CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1cccc(C#N)c1 ZINC000063300920 1033167529 /nfs/dbraw/zinc/16/75/29/1033167529.db2.gz RFLDZIHCTPMZSP-UHFFFAOYSA-N 1 2 347.462 3.988 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@]3(C)CCCOC3)n2)CC1 ZINC000329714702 1024127440 /nfs/dbraw/zinc/12/74/40/1024127440.db2.gz TYZGWXPCOFXZCA-KRWDZBQOSA-N 1 2 337.489 3.780 20 30 EHEDLO CO[C@@](C)(C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000329753958 1024178058 /nfs/dbraw/zinc/17/80/58/1024178058.db2.gz XCQBNWFPXWHUJH-QGZVFWFLSA-N 1 2 337.489 3.778 20 30 EHEDLO C[C@H]1CCN(C([O-])=[NH+]c2nc(C(C)(C)C)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000329899511 1024242298 /nfs/dbraw/zinc/24/22/98/1024242298.db2.gz NBJZWHHIUYOVPX-STQMWFEESA-N 1 2 347.488 3.766 20 30 EHEDLO CCN(CC)c1ncc(C=[NH+]Nc2cccc3cnccc32)s1 ZINC000728431766 1024315090 /nfs/dbraw/zinc/31/50/90/1024315090.db2.gz CRTBIWMPVHRLFA-UHFFFAOYSA-N 1 2 325.441 3.984 20 30 EHEDLO Cc1cccc([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000330193473 1024350172 /nfs/dbraw/zinc/35/01/72/1024350172.db2.gz OFMXAUKPRQOITO-AEFFLSMTSA-N 1 2 338.455 3.566 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000664445494 1024416620 /nfs/dbraw/zinc/41/66/20/1024416620.db2.gz XGTQKBVDKXSRMM-IYBDPMFKSA-N 1 2 346.500 3.844 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000602862883 1033214235 /nfs/dbraw/zinc/21/42/35/1033214235.db2.gz MKJYOQWSGYIJLU-DTWKUNHWSA-N 1 2 333.741 3.578 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(=O)OCC ZINC000895417933 1024488779 /nfs/dbraw/zinc/48/87/79/1024488779.db2.gz JKTWPRKEMAMNOF-GJZGRUSLSA-N 1 2 329.868 3.532 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1[C@@H]1CCCO1 ZINC000514764589 1024735196 /nfs/dbraw/zinc/73/51/96/1024735196.db2.gz UTWZMIZGIUMFBF-JKSUJKDBSA-N 1 2 338.373 3.966 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1[C@@H]1CCCO1 ZINC000514764589 1024735208 /nfs/dbraw/zinc/73/52/08/1024735208.db2.gz UTWZMIZGIUMFBF-JKSUJKDBSA-N 1 2 338.373 3.966 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000428210457 1025050076 /nfs/dbraw/zinc/05/00/76/1025050076.db2.gz VJUJSQODTHLISZ-LJQANCHMSA-N 1 2 338.426 3.921 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000428210457 1025050090 /nfs/dbraw/zinc/05/00/90/1025050090.db2.gz VJUJSQODTHLISZ-LJQANCHMSA-N 1 2 338.426 3.921 20 30 EHEDLO C=CCN(CC=C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442244715 1025225425 /nfs/dbraw/zinc/22/54/25/1025225425.db2.gz VDVXMIZKCSDPBP-LJQANCHMSA-N 1 2 338.455 3.625 20 30 EHEDLO Fc1cc(F)c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1F ZINC000896227360 1025260971 /nfs/dbraw/zinc/26/09/71/1025260971.db2.gz MIWIKTVKUBYPED-GFCCVEGCSA-N 1 2 327.243 3.970 20 30 EHEDLO Fc1cc(F)c(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1F ZINC000896227360 1025260980 /nfs/dbraw/zinc/26/09/80/1025260980.db2.gz MIWIKTVKUBYPED-GFCCVEGCSA-N 1 2 327.243 3.970 20 30 EHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nc1C ZINC000442771604 1025466882 /nfs/dbraw/zinc/46/68/82/1025466882.db2.gz UHAFUSZHRLNKLR-AAEUAGOBSA-N 1 2 343.452 3.912 20 30 EHEDLO Cn1cc(C2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)cn1 ZINC000329476008 1025898871 /nfs/dbraw/zinc/89/88/71/1025898871.db2.gz BKEJLQLMBZRHIE-UHFFFAOYSA-N 1 2 332.835 3.541 20 30 EHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000451392872 1025917212 /nfs/dbraw/zinc/91/72/12/1025917212.db2.gz KIYBPWUYYXLHBS-AWEZNQCLSA-N 1 2 349.475 3.558 20 30 EHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](CNc3ccc(Cl)cc3)C2)n1 ZINC000896733531 1025937432 /nfs/dbraw/zinc/93/74/32/1025937432.db2.gz SGEUSCSZHIYISX-ZDUSSCGKSA-N 1 2 346.887 3.992 20 30 EHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](CNc3ccc(Cl)cc3)C2)n1 ZINC000896733531 1025937443 /nfs/dbraw/zinc/93/74/43/1025937443.db2.gz SGEUSCSZHIYISX-ZDUSSCGKSA-N 1 2 346.887 3.992 20 30 EHEDLO CC[N@H+](Cc1cn(-c2ccccc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000338916573 1026271570 /nfs/dbraw/zinc/27/15/70/1026271570.db2.gz MDMSGNNHLZULRB-MRXNPFEDSA-N 1 2 331.423 3.722 20 30 EHEDLO CC[N@@H+](Cc1cn(-c2ccccc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000338916573 1026271586 /nfs/dbraw/zinc/27/15/86/1026271586.db2.gz MDMSGNNHLZULRB-MRXNPFEDSA-N 1 2 331.423 3.722 20 30 EHEDLO CCCC[C@@H](CC)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609761723 1026456485 /nfs/dbraw/zinc/45/64/85/1026456485.db2.gz ZTFBQBOXFCCJJW-GOSISDBHSA-N 1 2 341.499 3.809 20 30 EHEDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000046519048 1026979814 /nfs/dbraw/zinc/97/98/14/1026979814.db2.gz IRIBHMCNFXBAKY-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000046519048 1026979822 /nfs/dbraw/zinc/97/98/22/1026979822.db2.gz IRIBHMCNFXBAKY-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(F)c1 ZINC000075619214 1027180876 /nfs/dbraw/zinc/18/08/76/1027180876.db2.gz IANHBTLGKPQOAP-UHFFFAOYSA-N 1 2 336.370 3.769 20 30 EHEDLO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(F)c1 ZINC000075619214 1027180883 /nfs/dbraw/zinc/18/08/83/1027180883.db2.gz IANHBTLGKPQOAP-UHFFFAOYSA-N 1 2 336.370 3.769 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000459324117 1027610643 /nfs/dbraw/zinc/61/06/43/1027610643.db2.gz KGHOODNLQXUWDY-UHFFFAOYSA-N 1 2 343.427 3.780 20 30 EHEDLO COc1cccc(C[N@@H+](Cc2ccccc2C#N)C[C@H]2CCCO2)c1 ZINC000053227849 1028167087 /nfs/dbraw/zinc/16/70/87/1028167087.db2.gz HTBSMCQMMCJZSH-OAQYLSRUSA-N 1 2 336.435 3.748 20 30 EHEDLO COc1cccc(C[N@H+](Cc2ccccc2C#N)C[C@H]2CCCO2)c1 ZINC000053227849 1028167101 /nfs/dbraw/zinc/16/71/01/1028167101.db2.gz HTBSMCQMMCJZSH-OAQYLSRUSA-N 1 2 336.435 3.748 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000069875448 1028445422 /nfs/dbraw/zinc/44/54/22/1028445422.db2.gz ZCBYXBFAAPKOEE-MRXNPFEDSA-N 1 2 341.480 3.634 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000069875448 1028445433 /nfs/dbraw/zinc/44/54/33/1028445433.db2.gz ZCBYXBFAAPKOEE-MRXNPFEDSA-N 1 2 341.480 3.634 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1Cl ZINC000414550620 1028761674 /nfs/dbraw/zinc/76/16/74/1028761674.db2.gz DGVCNRRFSQFQBA-UHFFFAOYSA-N 1 2 335.860 3.924 20 30 EHEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000548788262 1029015807 /nfs/dbraw/zinc/01/58/07/1029015807.db2.gz AWBWXXXWPSXMLC-JTQLQIEISA-N 1 2 326.625 3.636 20 30 EHEDLO C[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000026323287 1029640212 /nfs/dbraw/zinc/64/02/12/1029640212.db2.gz HETLIPKDIYBYJK-UHFFFAOYSA-N 1 2 329.403 3.782 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000026323287 1029640216 /nfs/dbraw/zinc/64/02/16/1029640216.db2.gz HETLIPKDIYBYJK-UHFFFAOYSA-N 1 2 329.403 3.782 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(Cl)cc2)c1C#N ZINC000533775268 1029822310 /nfs/dbraw/zinc/82/23/10/1029822310.db2.gz KAVTXSIBNQGROM-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(Cl)cc2)c1C#N ZINC000533775268 1029822319 /nfs/dbraw/zinc/82/23/19/1029822319.db2.gz KAVTXSIBNQGROM-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c1C#N ZINC000533778718 1029825095 /nfs/dbraw/zinc/82/50/95/1029825095.db2.gz YURDXJKULLNUKL-ZDUSSCGKSA-N 1 2 326.371 3.677 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)c1C#N ZINC000533778718 1029825102 /nfs/dbraw/zinc/82/51/02/1029825102.db2.gz YURDXJKULLNUKL-ZDUSSCGKSA-N 1 2 326.371 3.677 20 30 EHEDLO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)n1 ZINC000343228326 1029830971 /nfs/dbraw/zinc/83/09/71/1029830971.db2.gz WSQDWAYEJPXLRL-UHFFFAOYSA-N 1 2 340.858 3.546 20 30 EHEDLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CC1(C#N)CC1)OCCO3 ZINC000343238832 1029860577 /nfs/dbraw/zinc/86/05/77/1029860577.db2.gz OEKGWBDBVAATCK-HNNXBMFYSA-N 1 2 338.451 3.950 20 30 EHEDLO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CC1(C#N)CC1)OCCO3 ZINC000343238832 1029860583 /nfs/dbraw/zinc/86/05/83/1029860583.db2.gz OEKGWBDBVAATCK-HNNXBMFYSA-N 1 2 338.451 3.950 20 30 EHEDLO C=C[C@@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000089486306 1029929217 /nfs/dbraw/zinc/92/92/17/1029929217.db2.gz CIDKZDSHVJQCJH-KRWDZBQOSA-N 1 2 331.419 3.848 20 30 EHEDLO C=CCN(Cc1ccccc1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635262754 1030924929 /nfs/dbraw/zinc/92/49/29/1030924929.db2.gz AGHFCDNKPBNJDV-OAHLLOKOSA-N 1 2 337.345 3.591 20 30 EHEDLO O=C(C[C@@H]1CCOC1)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329555439 1031106717 /nfs/dbraw/zinc/10/67/17/1031106717.db2.gz DRNVWSVLKRHOCR-AWEZNQCLSA-N 1 2 325.412 3.901 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CC=C(C(C)(C)C)CC2)c(C#N)c1C ZINC000536172176 1031246673 /nfs/dbraw/zinc/24/66/73/1031246673.db2.gz AZOKLCFDGSQRGK-UHFFFAOYSA-N 1 2 331.485 3.853 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CC=C(C(C)(C)C)CC2)c(C#N)c1C ZINC000536172176 1031246690 /nfs/dbraw/zinc/24/66/90/1031246690.db2.gz AZOKLCFDGSQRGK-UHFFFAOYSA-N 1 2 331.485 3.853 20 30 EHEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000161479201 1031569503 /nfs/dbraw/zinc/56/95/03/1031569503.db2.gz OMFHKEQQBIHYRV-UHFFFAOYSA-N 1 2 329.375 3.530 20 30 EHEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000161479201 1031569521 /nfs/dbraw/zinc/56/95/21/1031569521.db2.gz OMFHKEQQBIHYRV-UHFFFAOYSA-N 1 2 329.375 3.530 20 30 EHEDLO C=CCC[C@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347439362 1031580175 /nfs/dbraw/zinc/58/01/75/1031580175.db2.gz XOEGTCIGIUIWMZ-OALUTQOASA-N 1 2 337.467 3.876 20 30 EHEDLO CCc1ccc([C@@H]2C[N@H+](CCOc3ccccc3C#N)CCO2)cc1 ZINC000484561300 1031739508 /nfs/dbraw/zinc/73/95/08/1031739508.db2.gz FNAJUTSVIFDYGP-NRFANRHFSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1ccc([C@@H]2C[N@@H+](CCOc3ccccc3C#N)CCO2)cc1 ZINC000484561300 1031739525 /nfs/dbraw/zinc/73/95/25/1031739525.db2.gz FNAJUTSVIFDYGP-NRFANRHFSA-N 1 2 336.435 3.573 20 30 EHEDLO COCC[N@H+](Cc1ccnn1C1CCCC1)Cc1ccc(C#N)cc1 ZINC000449013128 1032021117 /nfs/dbraw/zinc/02/11/17/1032021117.db2.gz JTLPEJFQSYSPOB-UHFFFAOYSA-N 1 2 338.455 3.518 20 30 EHEDLO COCC[N@@H+](Cc1ccnn1C1CCCC1)Cc1ccc(C#N)cc1 ZINC000449013128 1032021133 /nfs/dbraw/zinc/02/11/33/1032021133.db2.gz JTLPEJFQSYSPOB-UHFFFAOYSA-N 1 2 338.455 3.518 20 30 EHEDLO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000063457677 1033358218 /nfs/dbraw/zinc/35/82/18/1033358218.db2.gz SEHLIPWXKHYMEB-UHFFFAOYSA-N 1 2 339.370 3.935 20 30 EHEDLO C=CCC1(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000450142046 1033804763 /nfs/dbraw/zinc/80/47/63/1033804763.db2.gz KPBLTIXFNYRRQI-QGZVFWFLSA-N 1 2 329.488 3.728 20 30 EHEDLO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1Cl ZINC000608856389 1033933743 /nfs/dbraw/zinc/93/37/43/1033933743.db2.gz DORUAQCURUZQSV-LJQANCHMSA-N 1 2 349.906 3.997 20 30 EHEDLO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1Cl ZINC000608856389 1033933755 /nfs/dbraw/zinc/93/37/55/1033933755.db2.gz DORUAQCURUZQSV-LJQANCHMSA-N 1 2 349.906 3.997 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ncccc1C(F)(F)F)C2 ZINC000599677801 1034075385 /nfs/dbraw/zinc/07/53/85/1034075385.db2.gz LQPQUTSNHMXBEG-UHFFFAOYSA-N 1 2 331.341 3.725 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1ncccc1C(F)(F)F)C2 ZINC000599677801 1034075397 /nfs/dbraw/zinc/07/53/97/1034075397.db2.gz LQPQUTSNHMXBEG-UHFFFAOYSA-N 1 2 331.341 3.725 20 30 EHEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000596596759 1034311627 /nfs/dbraw/zinc/31/16/27/1034311627.db2.gz FEPGNBLNWFWJEP-UHFFFAOYSA-N 1 2 348.372 3.885 20 30 EHEDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000596596759 1034311636 /nfs/dbraw/zinc/31/16/36/1034311636.db2.gz FEPGNBLNWFWJEP-UHFFFAOYSA-N 1 2 348.372 3.885 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000604435538 1034379669 /nfs/dbraw/zinc/37/96/69/1034379669.db2.gz XMQZNSURKHCLBF-AUUYWEPGSA-N 1 2 347.890 3.920 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000604435538 1034379684 /nfs/dbraw/zinc/37/96/84/1034379684.db2.gz XMQZNSURKHCLBF-AUUYWEPGSA-N 1 2 347.890 3.920 20 30 EHEDLO Cc1cc(Br)cn2c(CN3CCC[C@@](C)(C#N)C3)c[nH+]c12 ZINC000612406521 1034889672 /nfs/dbraw/zinc/88/96/72/1034889672.db2.gz OMJDGCBUYPMJGK-INIZCTEOSA-N 1 2 347.260 3.531 20 30 EHEDLO C=CCCCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000572012717 1035949567 /nfs/dbraw/zinc/94/95/67/1035949567.db2.gz TYJFVGFMJXGCTG-UHFFFAOYSA-N 1 2 344.503 3.855 20 30 EHEDLO COCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1 ZINC000191245706 1036351665 /nfs/dbraw/zinc/35/16/65/1036351665.db2.gz YCBHQDGUKXFNKG-UHFFFAOYSA-N 1 2 348.368 3.601 20 30 EHEDLO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1 ZINC000191245706 1036351681 /nfs/dbraw/zinc/35/16/81/1036351681.db2.gz YCBHQDGUKXFNKG-UHFFFAOYSA-N 1 2 348.368 3.601 20 30 EHEDLO COc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc2)cc1 ZINC000589309166 1036353946 /nfs/dbraw/zinc/35/39/46/1036353946.db2.gz OCPMMMLJNGEUFI-LJQANCHMSA-N 1 2 335.432 3.903 20 30 EHEDLO C=CCC[C@H](O)C[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464579207 1036565557 /nfs/dbraw/zinc/56/55/57/1036565557.db2.gz RIMVOEHRPRXBTL-NSHDSACASA-N 1 2 344.680 3.788 20 30 EHEDLO C=CCC[C@H](O)C[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464579207 1036565566 /nfs/dbraw/zinc/56/55/66/1036565566.db2.gz RIMVOEHRPRXBTL-NSHDSACASA-N 1 2 344.680 3.788 20 30 EHEDLO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(C#N)c(OC)c3)CCO2)cc1 ZINC000443069557 1036873623 /nfs/dbraw/zinc/87/36/23/1036873623.db2.gz PHGPRZYAWGOWAV-NRFANRHFSA-N 1 2 336.435 3.703 20 30 EHEDLO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#N)c(OC)c3)CCO2)cc1 ZINC000443069557 1036873649 /nfs/dbraw/zinc/87/36/49/1036873649.db2.gz PHGPRZYAWGOWAV-NRFANRHFSA-N 1 2 336.435 3.703 20 30 EHEDLO C[C@@H]1CCc2sc(NC(=O)CCCn3cc[nH+]c3)c(C#N)c2[C@H]1C ZINC000591003870 1037184666 /nfs/dbraw/zinc/18/46/66/1037184666.db2.gz LCINHGSMRKKVEM-OLZOCXBDSA-N 1 2 342.468 3.921 20 30 EHEDLO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)c(C#N)c1C ZINC000271817033 1037360296 /nfs/dbraw/zinc/36/02/96/1037360296.db2.gz VDIVGPUVHOQKHX-JTQLQIEISA-N 1 2 349.406 3.804 20 30 EHEDLO C#CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@H]1CCc2ccccc21 ZINC000491452511 1037479144 /nfs/dbraw/zinc/47/91/44/1037479144.db2.gz LJJDGGDCWVUBBV-SFHVURJKSA-N 1 2 340.373 3.526 20 30 EHEDLO C#CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@H]1CCc2ccccc21 ZINC000491452511 1037479156 /nfs/dbraw/zinc/47/91/56/1037479156.db2.gz LJJDGGDCWVUBBV-SFHVURJKSA-N 1 2 340.373 3.526 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1 ZINC000573900679 1037797615 /nfs/dbraw/zinc/79/76/15/1037797615.db2.gz PGBLTJJELWSMGD-UHFFFAOYSA-N 1 2 339.826 3.702 20 30 EHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000538762478 1038526371 /nfs/dbraw/zinc/52/63/71/1038526371.db2.gz SJNUXLFOHVIBEY-ZDUSSCGKSA-N 1 2 325.368 3.979 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000538762478 1038526379 /nfs/dbraw/zinc/52/63/79/1038526379.db2.gz SJNUXLFOHVIBEY-ZDUSSCGKSA-N 1 2 325.368 3.979 20 30 EHEDLO C=CCCC[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccccc1 ZINC000898912797 1039706275 /nfs/dbraw/zinc/70/62/75/1039706275.db2.gz QBWAABNYSPWRIL-GOSISDBHSA-N 1 2 325.456 3.875 20 30 EHEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000907139740 1039936992 /nfs/dbraw/zinc/93/69/92/1039936992.db2.gz URORXXYZKVIIIB-JXFKEZNVSA-N 1 2 349.434 3.522 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000489506467 1040048401 /nfs/dbraw/zinc/04/84/01/1040048401.db2.gz HDWBBPQGGUMHEF-CQSZACIVSA-N 1 2 328.378 3.890 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000489506467 1040048420 /nfs/dbraw/zinc/04/84/20/1040048420.db2.gz HDWBBPQGGUMHEF-CQSZACIVSA-N 1 2 328.378 3.890 20 30 EHEDLO CC[NH+](CC)Cc1csc(NC(=O)c2c(C)cc(C#N)cc2C)n1 ZINC000899215087 1040182689 /nfs/dbraw/zinc/18/26/89/1040182689.db2.gz AHLPNGAPUPLULT-UHFFFAOYSA-N 1 2 342.468 3.726 20 30 EHEDLO CCC(C#N)(CC)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808871 1040198273 /nfs/dbraw/zinc/19/82/73/1040198273.db2.gz HMALYNFELBNORV-HNNXBMFYSA-N 1 2 342.487 3.761 20 30 EHEDLO CCC(C#N)(CC)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808871 1040198280 /nfs/dbraw/zinc/19/82/80/1040198280.db2.gz HMALYNFELBNORV-HNNXBMFYSA-N 1 2 342.487 3.761 20 30 EHEDLO C[C@H](CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)n1cc[nH+]c1 ZINC000575872179 1040478667 /nfs/dbraw/zinc/47/86/67/1040478667.db2.gz HUZASVOWFYJDLK-ZWNOBZJWSA-N 1 2 337.210 3.522 20 30 EHEDLO CC(C)[N@H+](Cc1cn(-c2ccc(F)cc2)nn1)Cc1ccc(C#N)cc1 ZINC000600111741 1040674152 /nfs/dbraw/zinc/67/41/52/1040674152.db2.gz LKUQNSXZBGSAFI-UHFFFAOYSA-N 1 2 349.413 3.689 20 30 EHEDLO CC(C)[N@@H+](Cc1cn(-c2ccc(F)cc2)nn1)Cc1ccc(C#N)cc1 ZINC000600111741 1040674160 /nfs/dbraw/zinc/67/41/60/1040674160.db2.gz LKUQNSXZBGSAFI-UHFFFAOYSA-N 1 2 349.413 3.689 20 30 EHEDLO C=C(C)[C@@H]([NH2+]Cc1cccc(C(=O)OCC)n1)c1ccc(F)c(F)c1 ZINC000600148164 1040734608 /nfs/dbraw/zinc/73/46/08/1040734608.db2.gz KKCBUGUFNQNRLJ-GOSISDBHSA-N 1 2 346.377 3.944 20 30 EHEDLO N#Cc1cc(NCCc2cn3ccccc3[nH+]2)ccc1C(F)(F)F ZINC000136910158 1042616579 /nfs/dbraw/zinc/61/65/79/1042616579.db2.gz CVQHKVMTJSANHC-UHFFFAOYSA-N 1 2 330.313 3.879 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCCc3occc3C2)c(Br)c1 ZINC000344303619 1043616482 /nfs/dbraw/zinc/61/64/82/1043616482.db2.gz VZLBLGHWFHCGLE-UHFFFAOYSA-N 1 2 331.213 3.862 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCCc3occc3C2)c(Br)c1 ZINC000344303619 1043616493 /nfs/dbraw/zinc/61/64/93/1043616493.db2.gz VZLBLGHWFHCGLE-UHFFFAOYSA-N 1 2 331.213 3.862 20 30 EHEDLO CCC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccccc1C ZINC000178680677 1127024974 /nfs/dbraw/zinc/02/49/74/1127024974.db2.gz FRDZCFKZOBBJLJ-UHFFFAOYSA-N 1 2 338.426 3.836 20 30 EHEDLO CCC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccccc1C ZINC000178680677 1127024969 /nfs/dbraw/zinc/02/49/69/1127024969.db2.gz FRDZCFKZOBBJLJ-UHFFFAOYSA-N 1 2 338.426 3.836 20 30 EHEDLO N#CC1(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cc2)CC1 ZINC000179731847 1127084808 /nfs/dbraw/zinc/08/48/08/1127084808.db2.gz JZUAOUMUJVUJMD-UHFFFAOYSA-N 1 2 346.365 3.819 20 30 EHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528573685 1127740572 /nfs/dbraw/zinc/74/05/72/1127740572.db2.gz FBHSRJXBMQXGOE-UHFFFAOYSA-N 1 2 328.362 3.880 20 30 EHEDLO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(Br)c(F)cc1O ZINC000903033648 1128451531 /nfs/dbraw/zinc/45/15/31/1128451531.db2.gz WZCSXPJOSMZYKI-VIFPVBQESA-N 1 2 327.197 3.638 20 30 EHEDLO COc1cc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1C#N ZINC000282281253 1128487468 /nfs/dbraw/zinc/48/74/68/1128487468.db2.gz LBEAULWAPBYTLJ-UGSOOPFHSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1cc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1C#N ZINC000282281253 1128487469 /nfs/dbraw/zinc/48/74/69/1128487469.db2.gz LBEAULWAPBYTLJ-UGSOOPFHSA-N 1 2 328.437 3.590 20 30 EHEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(C)o1 ZINC000347646611 1128511936 /nfs/dbraw/zinc/51/19/36/1128511936.db2.gz ZHMRWZWLVJJQSK-CQSZACIVSA-N 1 2 336.338 3.538 20 30 EHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N(Cc1ccc(C#N)cc1)C1CC1 ZINC000301861721 1128609249 /nfs/dbraw/zinc/60/92/49/1128609249.db2.gz DWLYVCPRHMZYHV-UHFFFAOYSA-N 1 2 346.438 3.622 20 30 EHEDLO C[C@@H]1CN(c2ccc([NH2+]C3CC(C#N)(c4ccccc4)C3)cc2)CCO1 ZINC000129543482 1120148366 /nfs/dbraw/zinc/14/83/66/1120148366.db2.gz VDMUXLJFCBOXNH-FEPNQTLGSA-N 1 2 347.462 3.948 20 30 EHEDLO CCc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761760176 1120892469 /nfs/dbraw/zinc/89/24/69/1120892469.db2.gz SQONLORWAIWMFA-NRFANRHFSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761760176 1120892472 /nfs/dbraw/zinc/89/24/72/1120892472.db2.gz SQONLORWAIWMFA-NRFANRHFSA-N 1 2 336.435 3.573 20 30 EHEDLO CON=Cc1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000762078118 1121095365 /nfs/dbraw/zinc/09/53/65/1121095365.db2.gz AHECTEHAUZZUOS-UHFFFAOYSA-N 1 2 345.362 3.570 20 30 EHEDLO CC(=NNCc1ccc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915975377 1122003474 /nfs/dbraw/zinc/00/34/74/1122003474.db2.gz ULSBDPLRUVCKHC-UHFFFAOYSA-N 1 2 326.350 3.664 20 30 EHEDLO c1ccc(C[N@H+]2CCC(=NNCc3cccc4cccnc43)C2)cc1 ZINC000915961791 1122008527 /nfs/dbraw/zinc/00/85/27/1122008527.db2.gz CHKFLSYRDMFODH-UHFFFAOYSA-N 1 2 330.435 3.586 20 30 EHEDLO c1ccc(C[N@@H+]2CCC(=NNCc3cccc4cccnc43)C2)cc1 ZINC000915961791 1122008533 /nfs/dbraw/zinc/00/85/33/1122008533.db2.gz CHKFLSYRDMFODH-UHFFFAOYSA-N 1 2 330.435 3.586 20 30 EHEDLO CCOC(=O)Nc1ccc(NCc2c[nH+]cn2C(C)C)cc1C#N ZINC000496218323 1122015256 /nfs/dbraw/zinc/01/52/56/1122015256.db2.gz MXORVIITEKJFGT-UHFFFAOYSA-N 1 2 327.388 3.516 20 30 EHEDLO COc1ccc(CNc2cc(CC#N)cc[nH+]2)c(Br)c1 ZINC000556809701 1123132168 /nfs/dbraw/zinc/13/21/68/1123132168.db2.gz XUVUWOMIHTVFFT-UHFFFAOYSA-N 1 2 332.201 3.531 20 30 EHEDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000920175346 1123332841 /nfs/dbraw/zinc/33/28/41/1123332841.db2.gz VSOXSPVKTAOEHM-CVZBTMMTSA-N 1 2 339.395 3.555 20 30 EHEDLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000920175346 1123332847 /nfs/dbraw/zinc/33/28/47/1123332847.db2.gz VSOXSPVKTAOEHM-CVZBTMMTSA-N 1 2 339.395 3.555 20 30 EHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000609376994 1123566405 /nfs/dbraw/zinc/56/64/05/1123566405.db2.gz NQYOHDLPECDYCG-CQSZACIVSA-N 1 2 328.441 3.554 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000735272963 1131324842 /nfs/dbraw/zinc/32/48/42/1131324842.db2.gz JYOYPYXBLZPKDM-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000735272963 1131324847 /nfs/dbraw/zinc/32/48/47/1131324847.db2.gz JYOYPYXBLZPKDM-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO COCC[N@H+](CCC#N)C/C(C)=C/c1ccccc1C(F)(F)F ZINC000619725064 1125390091 /nfs/dbraw/zinc/39/00/91/1125390091.db2.gz GZHNFGNDWYENCX-WYMLVPIESA-N 1 2 326.362 3.971 20 30 EHEDLO COCC[N@@H+](CCC#N)C/C(C)=C/c1ccccc1C(F)(F)F ZINC000619725064 1125390094 /nfs/dbraw/zinc/39/00/94/1125390094.db2.gz GZHNFGNDWYENCX-WYMLVPIESA-N 1 2 326.362 3.971 20 30 EHEDLO CCOC(=O)C[N@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1ccccc1 ZINC000543137891 1129274489 /nfs/dbraw/zinc/27/44/89/1129274489.db2.gz VNPOUKAIKUQYIO-QGZVFWFLSA-N 1 2 336.435 3.879 20 30 EHEDLO CCOC(=O)C[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1ccccc1 ZINC000543137891 1129274492 /nfs/dbraw/zinc/27/44/92/1129274492.db2.gz VNPOUKAIKUQYIO-QGZVFWFLSA-N 1 2 336.435 3.879 20 30 EHEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c(Cl)c1 ZINC000499938202 1129578713 /nfs/dbraw/zinc/57/87/13/1129578713.db2.gz FOTLIDJPOMBTMQ-HNNXBMFYSA-N 1 2 339.197 3.827 20 30 EHEDLO C=CCc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000728162613 1130639650 /nfs/dbraw/zinc/63/96/50/1130639650.db2.gz HUQJRJVCQGBCRX-UHFFFAOYSA-N 1 2 334.375 3.829 20 30 EHEDLO CC[NH+](CC)Cc1ccccc1C/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000730549346 1130718908 /nfs/dbraw/zinc/71/89/08/1130718908.db2.gz RTLJTTIYHFDZQD-MOSHPQCFSA-N 1 2 341.411 3.761 20 30 EHEDLO N#CCOc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000737445257 1131641788 /nfs/dbraw/zinc/64/17/88/1131641788.db2.gz ZETXKJWMCOYKIR-QPJJXVBHSA-N 1 2 337.766 3.786 20 30 EHEDLO N#Cc1ccc(F)c(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1 ZINC000742381988 1131712766 /nfs/dbraw/zinc/71/27/66/1131712766.db2.gz WCCQZBHPJWAMFT-UHFFFAOYSA-N 1 2 327.378 3.726 20 30 EHEDLO C[C@H](CCCC#N)[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C ZINC001172477423 1131736983 /nfs/dbraw/zinc/73/69/83/1131736983.db2.gz ZSBLRXZQAZAKOX-KFWWJZLASA-N 1 2 326.481 3.572 20 30 EHEDLO C[N@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)ccc1OCC#N ZINC000746450975 1132537114 /nfs/dbraw/zinc/53/71/14/1132537114.db2.gz VSOLHASFYHMNFB-UHFFFAOYSA-N 1 2 336.222 3.923 20 30 EHEDLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(Cl)ccc1OCC#N ZINC000746450975 1132537118 /nfs/dbraw/zinc/53/71/18/1132537118.db2.gz VSOLHASFYHMNFB-UHFFFAOYSA-N 1 2 336.222 3.923 20 30 EHEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000768427712 1133137343 /nfs/dbraw/zinc/13/73/43/1133137343.db2.gz YSQMNXNEZCXYQF-OAQYLSRUSA-N 1 2 339.410 3.801 20 30 EHEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000768427712 1133137346 /nfs/dbraw/zinc/13/73/46/1133137346.db2.gz YSQMNXNEZCXYQF-OAQYLSRUSA-N 1 2 339.410 3.801 20 30 EHEDLO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001178690042 1133191530 /nfs/dbraw/zinc/19/15/30/1133191530.db2.gz JHZKXZQCJYOGNS-HNNXBMFYSA-N 1 2 343.427 3.849 20 30 EHEDLO C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001178690042 1133191534 /nfs/dbraw/zinc/19/15/34/1133191534.db2.gz JHZKXZQCJYOGNS-HNNXBMFYSA-N 1 2 343.427 3.849 20 30 EHEDLO C#CCOc1ccc(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000768917995 1133202948 /nfs/dbraw/zinc/20/29/48/1133202948.db2.gz CZDZNZIFPAUKSP-UHFFFAOYSA-N 1 2 331.419 3.516 20 30 EHEDLO C#CCOc1ccc(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000768917995 1133202951 /nfs/dbraw/zinc/20/29/51/1133202951.db2.gz CZDZNZIFPAUKSP-UHFFFAOYSA-N 1 2 331.419 3.516 20 30 EHEDLO Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1cccc2[nH+]ccn21 ZINC000769607486 1133321058 /nfs/dbraw/zinc/32/10/58/1133321058.db2.gz LWCLWIQXVPYSRI-ZHACJKMWSA-N 1 2 328.375 3.929 20 30 EHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1ccc(N(C)C)cc1 ZINC000769804877 1133348818 /nfs/dbraw/zinc/34/88/18/1133348818.db2.gz KEVWQXLHCHETSS-UHFFFAOYSA-N 1 2 333.233 3.746 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)cc(F)c1O ZINC001180394484 1133365439 /nfs/dbraw/zinc/36/54/39/1133365439.db2.gz WPDMQHJSXBHQGQ-UHFFFAOYSA-N 1 2 349.203 3.797 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)cc(F)c1O ZINC001180394484 1133365443 /nfs/dbraw/zinc/36/54/43/1133365443.db2.gz WPDMQHJSXBHQGQ-UHFFFAOYSA-N 1 2 349.203 3.797 20 30 EHEDLO Cc1cc(Br)ccc1NN=Cc1cccc2[nH+]ccn21 ZINC000771101307 1133510150 /nfs/dbraw/zinc/51/01/50/1133510150.db2.gz RXPKWISANHCHOE-UHFFFAOYSA-N 1 2 329.201 3.851 20 30 EHEDLO COc1cc(C)cc2c1OC/C(=C/c1c[nH+]c3ccc(C)cn13)C2=O ZINC000771858243 1133608383 /nfs/dbraw/zinc/60/83/83/1133608383.db2.gz IORYVUOZTZGZLJ-ZSOIEALJSA-N 1 2 334.375 3.618 20 30 EHEDLO CC#CCCCCCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001182771696 1133731867 /nfs/dbraw/zinc/73/18/67/1133731867.db2.gz HEQVSDUDPDJMNJ-GOSISDBHSA-N 1 2 327.472 3.531 20 30 EHEDLO C=CCc1c(F)c(F)c(C(=O)Nc2cccc3[nH+]ccn32)c(F)c1F ZINC001186705294 1134246366 /nfs/dbraw/zinc/24/63/66/1134246366.db2.gz RKXQLOMLEVITIR-UHFFFAOYSA-N 1 2 349.287 3.872 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC(C)C)c(Cl)c2)n1 ZINC000789325995 1134256712 /nfs/dbraw/zinc/25/67/12/1134256712.db2.gz KQIIBYZERDPSHB-UHFFFAOYSA-N 1 2 345.874 3.979 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC(C)C)c(Cl)c2)n1 ZINC000789325995 1134256715 /nfs/dbraw/zinc/25/67/15/1134256715.db2.gz KQIIBYZERDPSHB-UHFFFAOYSA-N 1 2 345.874 3.979 20 30 EHEDLO N#Cc1ccc(Nc2cccc(C(=O)OCc3cc[nH+]c(N)c3)c2)cc1 ZINC000791928938 1134627637 /nfs/dbraw/zinc/62/76/37/1134627637.db2.gz FVUZEKHADRLYMC-UHFFFAOYSA-N 1 2 344.374 3.636 20 30 EHEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000792306031 1134677847 /nfs/dbraw/zinc/67/78/47/1134677847.db2.gz PWCNTEHLFNNRGM-UHFFFAOYSA-N 1 2 328.799 3.636 20 30 EHEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000792306031 1134677853 /nfs/dbraw/zinc/67/78/53/1134677853.db2.gz PWCNTEHLFNNRGM-UHFFFAOYSA-N 1 2 328.799 3.636 20 30 EHEDLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCc1ccc(C#N)s1 ZINC001170199923 1134713435 /nfs/dbraw/zinc/71/34/35/1134713435.db2.gz LOHSWAVYTZTMAA-UHFFFAOYSA-N 1 2 329.425 3.511 20 30 EHEDLO CCCCCCCCNC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001191074828 1134788596 /nfs/dbraw/zinc/78/85/96/1134788596.db2.gz BTPPOBOFPLHYLD-UHFFFAOYSA-N 1 2 346.519 3.958 20 30 EHEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000793041998 1134841104 /nfs/dbraw/zinc/84/11/04/1134841104.db2.gz DFODKTRVCOOXDW-LJQANCHMSA-N 1 2 330.391 3.636 20 30 EHEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000793041998 1134841114 /nfs/dbraw/zinc/84/11/14/1134841114.db2.gz DFODKTRVCOOXDW-LJQANCHMSA-N 1 2 330.391 3.636 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000005293042 1134920696 /nfs/dbraw/zinc/92/06/96/1134920696.db2.gz AEGKCGZQKSIRKB-CLXYIWAZSA-N 1 2 345.424 3.618 20 30 EHEDLO C=CCCCCCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000806003620 1135370801 /nfs/dbraw/zinc/37/08/01/1135370801.db2.gz NZNHTJBBFVDOHR-SFHVURJKSA-N 1 2 344.503 3.606 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808140052 1135622677 /nfs/dbraw/zinc/62/26/77/1135622677.db2.gz XFFJOJWDRRJUKP-IBGZPJMESA-N 1 2 335.451 3.637 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808140052 1135622678 /nfs/dbraw/zinc/62/26/78/1135622678.db2.gz XFFJOJWDRRJUKP-IBGZPJMESA-N 1 2 335.451 3.637 20 30 EHEDLO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[C@@H](C(F)(F)F)O1 ZINC001197481683 1135694480 /nfs/dbraw/zinc/69/44/80/1135694480.db2.gz JDOIHOFVAJQJPY-WFASDCNBSA-N 1 2 331.765 3.733 20 30 EHEDLO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@@H](C(F)(F)F)O1 ZINC001197481683 1135694483 /nfs/dbraw/zinc/69/44/83/1135694483.db2.gz JDOIHOFVAJQJPY-WFASDCNBSA-N 1 2 331.765 3.733 20 30 EHEDLO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@H](C#N)CCC#N)CC3)c2c1 ZINC000747675126 1136049783 /nfs/dbraw/zinc/04/97/83/1136049783.db2.gz MDEDRMNOQLUYNI-HNNXBMFYSA-N 1 2 334.423 3.709 20 30 EHEDLO COc1ccc2[nH]cc(C3=CC[N@@H+](C[C@H](C#N)CCC#N)CC3)c2c1 ZINC000747675126 1136049785 /nfs/dbraw/zinc/04/97/85/1136049785.db2.gz MDEDRMNOQLUYNI-HNNXBMFYSA-N 1 2 334.423 3.709 20 30 EHEDLO C=CC(C)(C)CC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001133453531 1136252159 /nfs/dbraw/zinc/25/21/59/1136252159.db2.gz KCDXYCQWDFHCCN-UHFFFAOYSA-N 1 2 337.467 3.807 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000852325954 1136448973 /nfs/dbraw/zinc/44/89/73/1136448973.db2.gz LDJJBTBOOIOTET-HXUWFJFHSA-N 1 2 339.414 3.547 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000852325954 1136448974 /nfs/dbraw/zinc/44/89/74/1136448974.db2.gz LDJJBTBOOIOTET-HXUWFJFHSA-N 1 2 339.414 3.547 20 30 EHEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1cc(F)c(N)c(F)c1 ZINC000814847350 1136514958 /nfs/dbraw/zinc/51/49/58/1136514958.db2.gz JZMWLYCNZBDZFE-UHFFFAOYSA-N 1 2 341.159 3.541 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000853452259 1136533448 /nfs/dbraw/zinc/53/34/48/1136533448.db2.gz IHVTUKXWNUKNLV-MRXNPFEDSA-N 1 2 346.496 3.731 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000853536476 1136542212 /nfs/dbraw/zinc/54/22/12/1136542212.db2.gz UQIYWCDJNCSAOD-HNNXBMFYSA-N 1 2 328.485 3.864 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000853536476 1136542214 /nfs/dbraw/zinc/54/22/14/1136542214.db2.gz UQIYWCDJNCSAOD-HNNXBMFYSA-N 1 2 328.485 3.864 20 30 EHEDLO C#CC[N@@H+](Cc1cc(C(F)(F)F)nn1C)[C@H]1CCc2ccccc21 ZINC000824474816 1137139062 /nfs/dbraw/zinc/13/90/62/1137139062.db2.gz UFUAXBBFEYGHAQ-INIZCTEOSA-N 1 2 333.357 3.562 20 30 EHEDLO C#CC[N@H+](Cc1cc(C(F)(F)F)nn1C)[C@H]1CCc2ccccc21 ZINC000824474816 1137139063 /nfs/dbraw/zinc/13/90/63/1137139063.db2.gz UFUAXBBFEYGHAQ-INIZCTEOSA-N 1 2 333.357 3.562 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000862549557 1137149856 /nfs/dbraw/zinc/14/98/56/1137149856.db2.gz AFMASDHXHJAYGF-CQSZACIVSA-N 1 2 326.371 3.511 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000862549557 1137149857 /nfs/dbraw/zinc/14/98/57/1137149857.db2.gz AFMASDHXHJAYGF-CQSZACIVSA-N 1 2 326.371 3.511 20 30 EHEDLO Cc1cccn2c(C[NH+]3CCC(C#N)(c4ccccc4F)CC3)cnc12 ZINC001136967710 1137159185 /nfs/dbraw/zinc/15/91/85/1137159185.db2.gz NZIUODIGLNGHFH-UHFFFAOYSA-N 1 2 348.425 3.839 20 30 EHEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000339057225 1137190018 /nfs/dbraw/zinc/19/00/18/1137190018.db2.gz CGHSYSQLKLHUNB-NRFANRHFSA-N 1 2 335.451 3.959 20 30 EHEDLO Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000339057225 1137190019 /nfs/dbraw/zinc/19/00/19/1137190019.db2.gz CGHSYSQLKLHUNB-NRFANRHFSA-N 1 2 335.451 3.959 20 30 EHEDLO N#Cc1cccc(Cl)c1CN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001143716254 1137191813 /nfs/dbraw/zinc/19/18/13/1137191813.db2.gz JIDJSJCCNDAAMN-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO O=C(C=Cc1c[nH+]c2ccc(Cl)cn12)c1ccc2[nH]c(=O)oc2c1 ZINC000794716659 1137243100 /nfs/dbraw/zinc/24/31/00/1137243100.db2.gz URQKEIXWNYLVAW-HYXAFXHYSA-N 1 2 339.738 3.731 20 30 EHEDLO Cc1ccnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1Br ZINC000865408910 1137280786 /nfs/dbraw/zinc/28/07/86/1137280786.db2.gz MRZLKUFMBOBIJJ-LBPRGKRZSA-N 1 2 330.229 3.875 20 30 EHEDLO C=CC[C@H](CCc1ccccc1)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845552388 1137299067 /nfs/dbraw/zinc/29/90/67/1137299067.db2.gz FBXFOVUJQKBEJU-LJQANCHMSA-N 1 2 338.451 3.883 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794896609 1137328269 /nfs/dbraw/zinc/32/82/69/1137328269.db2.gz BMJTZPUARTZBTF-SFHVURJKSA-N 1 2 346.475 3.669 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794896609 1137328270 /nfs/dbraw/zinc/32/82/70/1137328270.db2.gz BMJTZPUARTZBTF-SFHVURJKSA-N 1 2 346.475 3.669 20 30 EHEDLO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1nc(-c2ccccc2)no1 ZINC000866311648 1137344602 /nfs/dbraw/zinc/34/46/02/1137344602.db2.gz JZQGBHPPEJWZEM-KBPBESRZSA-N 1 2 348.406 3.768 20 30 EHEDLO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866351407 1137348346 /nfs/dbraw/zinc/34/83/46/1137348346.db2.gz JZCRBIPUZXTFJO-APWZRJJASA-N 1 2 338.451 3.952 20 30 EHEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877594108 1137682383 /nfs/dbraw/zinc/68/23/83/1137682383.db2.gz BUDLBMIWJABWQA-GXTWGEPZSA-N 1 2 349.862 3.549 20 30 EHEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877594108 1137682384 /nfs/dbraw/zinc/68/23/84/1137682384.db2.gz BUDLBMIWJABWQA-GXTWGEPZSA-N 1 2 349.862 3.549 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000105004886 1137879872 /nfs/dbraw/zinc/87/98/72/1137879872.db2.gz JWVVPONVDDTIEC-IRXDYDNUSA-N 1 2 345.487 3.726 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Br)o1 ZINC000120531188 1137950535 /nfs/dbraw/zinc/95/05/35/1137950535.db2.gz CWGZFEDOYVVZNN-UHFFFAOYSA-N 1 2 335.201 3.554 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000120531188 1137950536 /nfs/dbraw/zinc/95/05/36/1137950536.db2.gz CWGZFEDOYVVZNN-UHFFFAOYSA-N 1 2 335.201 3.554 20 30 EHEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158238 1138054139 /nfs/dbraw/zinc/05/41/39/1138054139.db2.gz UXKFGFWPLYEBFS-ZTFGCOKTSA-N 1 2 348.874 3.547 20 30 EHEDLO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158238 1138054141 /nfs/dbraw/zinc/05/41/41/1138054141.db2.gz UXKFGFWPLYEBFS-ZTFGCOKTSA-N 1 2 348.874 3.547 20 30 EHEDLO CCOc1ccc(/C=[NH+]/CC[C@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000887270999 1138252294 /nfs/dbraw/zinc/25/22/94/1138252294.db2.gz XZGCWWGVFYQMSG-AQRZYSDFSA-N 1 2 347.455 3.576 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(C#N)cs3)n2)C1 ZINC000175776127 1139517942 /nfs/dbraw/zinc/51/79/42/1139517942.db2.gz ZKDMWZOQQWDQLS-LLVKDONJSA-N 1 2 346.481 3.560 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(C#N)cs3)n2)C1 ZINC000175776127 1139517944 /nfs/dbraw/zinc/51/79/44/1139517944.db2.gz ZKDMWZOQQWDQLS-LLVKDONJSA-N 1 2 346.481 3.560 20 30 EHEDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000179564175 1139764953 /nfs/dbraw/zinc/76/49/53/1139764953.db2.gz SYOHYHWDTRQONE-QGZVFWFLSA-N 1 2 345.450 3.842 20 30 EHEDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000179564175 1139764958 /nfs/dbraw/zinc/76/49/58/1139764958.db2.gz SYOHYHWDTRQONE-QGZVFWFLSA-N 1 2 345.450 3.842 20 30 EHEDLO C=CCC[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000188801239 1140309119 /nfs/dbraw/zinc/30/91/19/1140309119.db2.gz AFLSJDFIQOYXDN-RTBURBONSA-N 1 2 335.451 3.527 20 30 EHEDLO C=CC[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000189613491 1140355807 /nfs/dbraw/zinc/35/58/07/1140355807.db2.gz SOOGVKILCTYCKB-RXVVDRJESA-N 1 2 349.478 3.647 20 30 EHEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2ccccc2C)CC1 ZINC001165035334 721873121 /nfs/dbraw/zinc/87/31/21/721873121.db2.gz UOJRIHSRWFLCDE-UHFFFAOYSA-N 1 2 344.846 3.539 20 30 EHEDLO N#Cc1csc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000557266801 1014891176 /nfs/dbraw/zinc/89/11/76/1014891176.db2.gz KWEXWOYFUMJIPC-UHFFFAOYSA-N 1 2 336.420 3.794 20 30 EHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000255049445 1016226565 /nfs/dbraw/zinc/22/65/65/1016226565.db2.gz PWOCJSALAPECME-ALCCZGGFSA-N 1 2 327.727 3.792 20 30 EHEDLO Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)c(C[NH+]2CCOCC2)c1 ZINC001167709521 1016520831 /nfs/dbraw/zinc/52/08/31/1016520831.db2.gz PXGYAFOEHJLNMQ-KRWDZBQOSA-N 1 2 335.451 3.872 20 30 EHEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC001167276315 1016939891 /nfs/dbraw/zinc/93/98/91/1016939891.db2.gz IYFSGTOZNBHWRC-KRWDZBQOSA-N 1 2 347.245 3.957 20 30 EHEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC001167276315 1016939919 /nfs/dbraw/zinc/93/99/19/1016939919.db2.gz IYFSGTOZNBHWRC-KRWDZBQOSA-N 1 2 347.245 3.957 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nc2c(s1)CCC2 ZINC000459630446 1032347621 /nfs/dbraw/zinc/34/76/21/1032347621.db2.gz HGELXTLKUCWWBA-JTQLQIEISA-N 1 2 349.406 3.956 20 30 EHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377068857 1017301562 /nfs/dbraw/zinc/30/15/62/1017301562.db2.gz UEWPNBXZVLRECY-LBPRGKRZSA-N 1 2 335.860 3.759 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177185122 1017594065 /nfs/dbraw/zinc/59/40/65/1017594065.db2.gz JOCYZZFMROMEPS-JKSUJKDBSA-N 1 2 349.887 3.510 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177185122 1017594073 /nfs/dbraw/zinc/59/40/73/1017594073.db2.gz JOCYZZFMROMEPS-JKSUJKDBSA-N 1 2 349.887 3.510 20 30 EHEDLO Cc1cc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)nc(C2CCC2)[nH+]1 ZINC000893083840 1018398903 /nfs/dbraw/zinc/39/89/03/1018398903.db2.gz OJOMPUCBPVZJIS-UHFFFAOYSA-N 1 2 344.422 3.926 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3ncc(Br)s3)CCC2)cc1 ZINC000594033213 1032823423 /nfs/dbraw/zinc/82/34/23/1032823423.db2.gz KMVOKYGCDUAAKT-UHFFFAOYSA-N 1 2 348.269 3.946 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513406856 1019627622 /nfs/dbraw/zinc/62/76/22/1019627622.db2.gz YSGYUWBTFSFBBX-UHFFFAOYSA-N 1 2 327.378 3.549 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513406856 1019627628 /nfs/dbraw/zinc/62/76/28/1019627628.db2.gz YSGYUWBTFSFBBX-UHFFFAOYSA-N 1 2 327.378 3.549 20 30 EHEDLO CC(C)C[N@H+](CCC#N)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157807163 1032872188 /nfs/dbraw/zinc/87/21/88/1032872188.db2.gz DMHKCRQCSDJADV-UHFFFAOYSA-N 1 2 340.221 3.729 20 30 EHEDLO CC(C)C[N@@H+](CCC#N)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157807163 1032872204 /nfs/dbraw/zinc/87/22/04/1032872204.db2.gz DMHKCRQCSDJADV-UHFFFAOYSA-N 1 2 340.221 3.729 20 30 EHEDLO CCCC(C#N)(CCC)NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000280445075 1020386265 /nfs/dbraw/zinc/38/62/65/1020386265.db2.gz VQWVPDSPTCCRLK-UHFFFAOYSA-N 1 2 348.397 3.602 20 30 EHEDLO N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425674919 1021469129 /nfs/dbraw/zinc/46/91/29/1021469129.db2.gz POPBMPYCKINZDS-WMLDXEAASA-N 1 2 349.438 3.700 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnc(CC)s1)c1ccc(Br)cc1 ZINC000894870782 1021546712 /nfs/dbraw/zinc/54/67/12/1021546712.db2.gz PEAQLTHQVBGIFZ-CQSZACIVSA-N 1 2 335.270 3.932 20 30 EHEDLO C[C@@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)n1cc[nH+]c1 ZINC001125529005 1021591643 /nfs/dbraw/zinc/59/16/43/1021591643.db2.gz JMIJDVOHUXYNLN-AWEZNQCLSA-N 1 2 347.378 3.532 20 30 EHEDLO Oc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000440662951 1021692880 /nfs/dbraw/zinc/69/28/80/1021692880.db2.gz HJXZPICYEAOWCP-UHFFFAOYSA-N 1 2 347.336 3.701 20 30 EHEDLO Oc1ccc2c(c1)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000440662951 1021692886 /nfs/dbraw/zinc/69/28/86/1021692886.db2.gz HJXZPICYEAOWCP-UHFFFAOYSA-N 1 2 347.336 3.701 20 30 EHEDLO CC(C)Oc1ccccc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000519997831 1021861972 /nfs/dbraw/zinc/86/19/72/1021861972.db2.gz JRHNKWRXIUMQAP-UHFFFAOYSA-N 1 2 349.478 3.663 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000437578572 1021964860 /nfs/dbraw/zinc/96/48/60/1021964860.db2.gz GNMQKEJZJVEMIQ-WOJBJXKFSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000437578572 1021964875 /nfs/dbraw/zinc/96/48/75/1021964875.db2.gz GNMQKEJZJVEMIQ-WOJBJXKFSA-N 1 2 331.419 3.839 20 30 EHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437578437 1021964959 /nfs/dbraw/zinc/96/49/59/1021964959.db2.gz OMJSKMFSVFLDAY-UHFFFAOYSA-N 1 2 334.398 3.501 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CC3)o2)c1 ZINC000440295165 1022073289 /nfs/dbraw/zinc/07/32/89/1022073289.db2.gz WPNVWMKZOYQFFK-UHFFFAOYSA-N 1 2 334.354 3.526 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000303738370 1022522703 /nfs/dbraw/zinc/52/27/03/1022522703.db2.gz YDZFXVPJAQHTEL-KBPBESRZSA-N 1 2 336.526 3.729 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000303738370 1022522713 /nfs/dbraw/zinc/52/27/13/1022522713.db2.gz YDZFXVPJAQHTEL-KBPBESRZSA-N 1 2 336.526 3.729 20 30 EHEDLO CC1(C)C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)c2ccc(F)cc2O1 ZINC000328936233 1022535865 /nfs/dbraw/zinc/53/58/65/1022535865.db2.gz JLTQSLUGHHAHLF-LRDDRELGSA-N 1 2 343.402 3.844 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(F)c1 ZINC000510504534 1022599068 /nfs/dbraw/zinc/59/90/68/1022599068.db2.gz ALIDBLOQJVHLGD-UHFFFAOYSA-N 1 2 346.409 3.568 20 30 EHEDLO CCc1cc(C)cc(CC)c1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000331251763 1022779687 /nfs/dbraw/zinc/77/96/87/1022779687.db2.gz TXLUTMVLWSFMTL-CVEARBPZSA-N 1 2 347.503 3.555 20 30 EHEDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(C(C)(C)C#N)cc1 ZINC000593945470 1033083183 /nfs/dbraw/zinc/08/31/83/1033083183.db2.gz WFSWATGIMCPYGQ-UHFFFAOYSA-N 1 2 348.450 3.518 20 30 EHEDLO C=CCOc1cccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129121622 1023066824 /nfs/dbraw/zinc/06/68/24/1023066824.db2.gz CTZJKKYIVOBZDO-YJBOKZPZSA-N 1 2 340.427 3.563 20 30 EHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000341716168 1023126544 /nfs/dbraw/zinc/12/65/44/1023126544.db2.gz GSNDEXKPLRYQKW-UHFFFAOYSA-N 1 2 347.422 3.612 20 30 EHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000441492537 1023236760 /nfs/dbraw/zinc/23/67/60/1023236760.db2.gz VSHZWLAFVHSVTN-FQEVSTJZSA-N 1 2 344.418 3.543 20 30 EHEDLO CCC1CCC(N(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C2CC2)CC1 ZINC000330280731 1024382671 /nfs/dbraw/zinc/38/26/71/1024382671.db2.gz SWPINEBQPXNISP-PCKAHOCUSA-N 1 2 330.476 3.545 20 30 EHEDLO CN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1CCC(C(C)(C)C)CC1 ZINC000330287899 1024384100 /nfs/dbraw/zinc/38/41/00/1024384100.db2.gz CTJPNPIOBISNPQ-PCKAHOCUSA-N 1 2 332.492 3.649 20 30 EHEDLO C=CCn1c(C)nnc1SCc1ccc(-n2cc[nH+]c2)cc1C ZINC000191541109 1024409256 /nfs/dbraw/zinc/40/92/56/1024409256.db2.gz CEDFHFUWLYARDU-UHFFFAOYSA-N 1 2 325.441 3.559 20 30 EHEDLO N#CC1(CCC[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)CCOCC1 ZINC000281919196 1024457498 /nfs/dbraw/zinc/45/74/98/1024457498.db2.gz HCZLHKJXKSVUTQ-SFHVURJKSA-N 1 2 348.874 3.814 20 30 EHEDLO N#CC1(CCC[N@H+]2CCO[C@H](c3ccccc3Cl)C2)CCOCC1 ZINC000281919196 1024457506 /nfs/dbraw/zinc/45/75/06/1024457506.db2.gz HCZLHKJXKSVUTQ-SFHVURJKSA-N 1 2 348.874 3.814 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1c(Cl)n[nH]c1C1CC1)C2 ZINC000895667285 1024711849 /nfs/dbraw/zinc/71/18/49/1024711849.db2.gz GKPYIOIWMCFBDW-UHFFFAOYSA-N 1 2 326.831 3.565 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1c(Cl)n[nH]c1C1CC1)C2 ZINC000895667285 1024711859 /nfs/dbraw/zinc/71/18/59/1024711859.db2.gz GKPYIOIWMCFBDW-UHFFFAOYSA-N 1 2 326.831 3.565 20 30 EHEDLO C=CCCCS(=O)(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000427771780 1024773362 /nfs/dbraw/zinc/77/33/62/1024773362.db2.gz ATBGQVWDCRKTBC-UHFFFAOYSA-N 1 2 335.473 3.579 20 30 EHEDLO C[N@H+](CCc1cccc(C#N)c1)Cc1csc(C(F)(F)F)n1 ZINC000895785412 1024831431 /nfs/dbraw/zinc/83/14/31/1024831431.db2.gz FOYGTUSCGDQGJL-UHFFFAOYSA-N 1 2 325.359 3.708 20 30 EHEDLO C[N@@H+](CCc1cccc(C#N)c1)Cc1csc(C(F)(F)F)n1 ZINC000895785412 1024831451 /nfs/dbraw/zinc/83/14/51/1024831451.db2.gz FOYGTUSCGDQGJL-UHFFFAOYSA-N 1 2 325.359 3.708 20 30 EHEDLO N#Cc1ccc(N[C@H]2CCCN(c3[nH+]ccc4ccccc43)C2)nc1 ZINC000895849991 1024910364 /nfs/dbraw/zinc/91/03/64/1024910364.db2.gz CZMXTTDJMFWUPP-KRWDZBQOSA-N 1 2 329.407 3.582 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000281323276 1024924816 /nfs/dbraw/zinc/92/48/16/1024924816.db2.gz KTEHQFYMNOKZKW-NUJGCVRESA-N 1 2 345.487 3.772 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccccc1 ZINC000027776875 1025259395 /nfs/dbraw/zinc/25/93/95/1025259395.db2.gz XVZBHCKVMATHGK-UHFFFAOYSA-N 1 2 327.428 3.599 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccccc1 ZINC000027776875 1025259409 /nfs/dbraw/zinc/25/94/09/1025259409.db2.gz XVZBHCKVMATHGK-UHFFFAOYSA-N 1 2 327.428 3.599 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(CC)c1)Cc1ccc(OC)cc1 ZINC000515510162 1025304656 /nfs/dbraw/zinc/30/46/56/1025304656.db2.gz CSMMGSSQRUUHKM-UHFFFAOYSA-N 1 2 338.451 3.884 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cccc(CC)c1)Cc1ccc(OC)cc1 ZINC000515510162 1025304666 /nfs/dbraw/zinc/30/46/66/1025304666.db2.gz CSMMGSSQRUUHKM-UHFFFAOYSA-N 1 2 338.451 3.884 20 30 EHEDLO CC(C)(C#N)c1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000303705705 1025632452 /nfs/dbraw/zinc/63/24/52/1025632452.db2.gz SMEBOWTXYKVPSH-UHFFFAOYSA-N 1 2 330.391 3.926 20 30 EHEDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329205625 1025663770 /nfs/dbraw/zinc/66/37/70/1025663770.db2.gz DLKAFFUZMRZIEI-WFASDCNBSA-N 1 2 342.468 3.698 20 30 EHEDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329205625 1025663780 /nfs/dbraw/zinc/66/37/80/1025663780.db2.gz DLKAFFUZMRZIEI-WFASDCNBSA-N 1 2 342.468 3.698 20 30 EHEDLO Cc1[nH]c([C@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)[nH+]c1C ZINC000895193901 1026090019 /nfs/dbraw/zinc/09/00/19/1026090019.db2.gz WDJZNUNWOIGYHP-GFCCVEGCSA-N 1 2 335.333 3.654 20 30 EHEDLO C=CCCn1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)nn1 ZINC000657450481 1026508676 /nfs/dbraw/zinc/50/86/76/1026508676.db2.gz VPAIUBACSJXJAL-UHFFFAOYSA-N 1 2 348.454 3.666 20 30 EHEDLO C=CCCC(C)(C)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000666004738 1027010964 /nfs/dbraw/zinc/01/09/64/1027010964.db2.gz GARROIUSAIBOPY-INIZCTEOSA-N 1 2 345.487 3.946 20 30 EHEDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075612128 1027180224 /nfs/dbraw/zinc/18/02/24/1027180224.db2.gz BLCULUPGMFWPBF-LBPRGKRZSA-N 1 2 336.420 3.789 20 30 EHEDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075612128 1027180237 /nfs/dbraw/zinc/18/02/37/1027180237.db2.gz BLCULUPGMFWPBF-LBPRGKRZSA-N 1 2 336.420 3.789 20 30 EHEDLO C=CC[C@H]1[N@@H+](Cc2ccc(S(C)(=O)=O)s2)CCCC1(C)C ZINC000414442695 1027363402 /nfs/dbraw/zinc/36/34/02/1027363402.db2.gz HIBXVZJEOITOKE-CQSZACIVSA-N 1 2 327.515 3.718 20 30 EHEDLO C=CC[C@H]1[N@H+](Cc2ccc(S(C)(=O)=O)s2)CCCC1(C)C ZINC000414442695 1027363419 /nfs/dbraw/zinc/36/34/19/1027363419.db2.gz HIBXVZJEOITOKE-CQSZACIVSA-N 1 2 327.515 3.718 20 30 EHEDLO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167619206 1027754920 /nfs/dbraw/zinc/75/49/20/1027754920.db2.gz VSZMEFLQWQGDNC-LYRGBEMXSA-N 1 2 344.484 3.547 20 30 EHEDLO C=C1CC[NH+](Cc2csc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000533417947 1027837438 /nfs/dbraw/zinc/83/74/38/1027837438.db2.gz YVAGLGGOUOAAKI-UHFFFAOYSA-N 1 2 328.437 3.749 20 30 EHEDLO Cc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502521861 1028284311 /nfs/dbraw/zinc/28/43/11/1028284311.db2.gz HYOLQPACHRPGTM-UHFFFAOYSA-N 1 2 331.419 3.595 20 30 EHEDLO Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502521861 1028284321 /nfs/dbraw/zinc/28/43/21/1028284321.db2.gz HYOLQPACHRPGTM-UHFFFAOYSA-N 1 2 331.419 3.595 20 30 EHEDLO Cc1ccccc1[C@@H]([C@@H](C)NCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000421399116 1028346979 /nfs/dbraw/zinc/34/69/79/1028346979.db2.gz SYWHNIYJEAQUQR-FOIQADDNSA-N 1 2 325.431 3.787 20 30 EHEDLO CC[C@@H]([NH2+]C[C@H]1OCCc2sccc21)c1cccc(C#N)c1O ZINC000925162747 1028458362 /nfs/dbraw/zinc/45/83/62/1028458362.db2.gz VQKPWEJFGHUHCJ-HZPDHXFCSA-N 1 2 328.437 3.680 20 30 EHEDLO N#Cc1ccccc1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000367049856 1028718199 /nfs/dbraw/zinc/71/81/99/1028718199.db2.gz JTIOXUSUYNBDLE-INIZCTEOSA-N 1 2 343.224 3.934 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000075596067 1028721334 /nfs/dbraw/zinc/72/13/34/1028721334.db2.gz WOGAKVLIJCJRNS-UHFFFAOYSA-N 1 2 330.391 3.796 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000075596067 1028721344 /nfs/dbraw/zinc/72/13/44/1028721344.db2.gz WOGAKVLIJCJRNS-UHFFFAOYSA-N 1 2 330.391 3.796 20 30 EHEDLO N#CCC[N@@H+](Cc1cc(Br)cc2c1OCC2)CC1CC1 ZINC000153851059 1028820848 /nfs/dbraw/zinc/82/08/48/1028820848.db2.gz INYHAVUSXLNUIH-UHFFFAOYSA-N 1 2 335.245 3.510 20 30 EHEDLO N#CCC[N@H+](Cc1cc(Br)cc2c1OCC2)CC1CC1 ZINC000153851059 1028820865 /nfs/dbraw/zinc/82/08/65/1028820865.db2.gz INYHAVUSXLNUIH-UHFFFAOYSA-N 1 2 335.245 3.510 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]2CCC[C@H]2O1 ZINC000440955313 1029404665 /nfs/dbraw/zinc/40/46/65/1029404665.db2.gz JXVFWKBITMFSCI-HUUCEWRRSA-N 1 2 336.382 3.692 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]2CCC[C@H]2O1 ZINC000440955313 1029404681 /nfs/dbraw/zinc/40/46/81/1029404681.db2.gz JXVFWKBITMFSCI-HUUCEWRRSA-N 1 2 336.382 3.692 20 30 EHEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2Br)[C@@H]2CCC[C@H]2O1 ZINC000440967783 1029441301 /nfs/dbraw/zinc/44/13/01/1029441301.db2.gz XFFLVANHAYEXGY-HZPDHXFCSA-N 1 2 349.272 3.853 20 30 EHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2Br)[C@@H]2CCC[C@H]2O1 ZINC000440967783 1029441311 /nfs/dbraw/zinc/44/13/11/1029441311.db2.gz XFFLVANHAYEXGY-HZPDHXFCSA-N 1 2 349.272 3.853 20 30 EHEDLO CC1(C#N)CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000272603441 1029529225 /nfs/dbraw/zinc/52/92/25/1029529225.db2.gz RFDLIIQDDUQZGO-UHFFFAOYSA-N 1 2 339.483 3.978 20 30 EHEDLO C=CCOc1ccc(C[N@@H+](C)Cc2ncc(CC)s2)cc1OC ZINC000093807619 1030676833 /nfs/dbraw/zinc/67/68/33/1030676833.db2.gz LPXACNKETIWTRG-UHFFFAOYSA-N 1 2 332.469 3.911 20 30 EHEDLO C=CCOc1ccc(C[N@H+](C)Cc2ncc(CC)s2)cc1OC ZINC000093807619 1030676837 /nfs/dbraw/zinc/67/68/37/1030676837.db2.gz LPXACNKETIWTRG-UHFFFAOYSA-N 1 2 332.469 3.911 20 30 EHEDLO COc1cccc(NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000160352834 1030695757 /nfs/dbraw/zinc/69/57/57/1030695757.db2.gz MCJQEOTYIUQNTB-UHFFFAOYSA-N 1 2 339.414 3.782 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000246996699 1030811847 /nfs/dbraw/zinc/81/18/47/1030811847.db2.gz KLZQNDDNOYRUPN-GJZGRUSLSA-N 1 2 343.500 3.740 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000246996699 1030811863 /nfs/dbraw/zinc/81/18/63/1030811863.db2.gz KLZQNDDNOYRUPN-GJZGRUSLSA-N 1 2 343.500 3.740 20 30 EHEDLO N#CCc1ccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483232135 1031062114 /nfs/dbraw/zinc/06/21/14/1031062114.db2.gz GHLKVWKRNHUPJG-MRXNPFEDSA-N 1 2 335.234 3.883 20 30 EHEDLO Cc1sc2nc(C[NH2+]C3(c4cccc(C#N)c4)CC3)nc(N)c2c1C ZINC000551411974 1031305192 /nfs/dbraw/zinc/30/51/92/1031305192.db2.gz YUJCYFWRNOEGDR-UHFFFAOYSA-N 1 2 349.463 3.541 20 30 EHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1sccc1Br ZINC000903262417 1031311448 /nfs/dbraw/zinc/31/14/48/1031311448.db2.gz DYRJTIDTBOKWPW-SSDOTTSWSA-N 1 2 328.260 3.690 20 30 EHEDLO C[NH+](C)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528011637 1031592029 /nfs/dbraw/zinc/59/20/29/1031592029.db2.gz PXCZRGNGCTUOJC-KFNAQCHYSA-N 1 2 326.271 3.878 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)c(C#N)c1C ZINC000052803885 1031707898 /nfs/dbraw/zinc/70/78/98/1031707898.db2.gz WRDGMXLWCQXSOJ-BLLLJJGKSA-N 1 2 343.452 3.994 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)c(C#N)c1C ZINC000052803885 1031707907 /nfs/dbraw/zinc/70/79/07/1031707907.db2.gz WRDGMXLWCQXSOJ-BLLLJJGKSA-N 1 2 343.452 3.994 20 30 EHEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000484577935 1031733322 /nfs/dbraw/zinc/73/33/22/1031733322.db2.gz VYKZWOSEFUVCHK-FQEVSTJZSA-N 1 2 338.451 3.809 20 30 EHEDLO C=CC[N@H+](CCOC)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000484577935 1031733338 /nfs/dbraw/zinc/73/33/38/1031733338.db2.gz VYKZWOSEFUVCHK-FQEVSTJZSA-N 1 2 338.451 3.809 20 30 EHEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccccc1 ZINC000180426659 1031851184 /nfs/dbraw/zinc/85/11/84/1031851184.db2.gz RXYJFTFODIHQDV-UHFFFAOYSA-N 1 2 325.441 3.510 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000459402924 1032047222 /nfs/dbraw/zinc/04/72/22/1032047222.db2.gz FYSZSJKERBIAOF-ZDUSSCGKSA-N 1 2 343.333 3.734 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000459402924 1032047237 /nfs/dbraw/zinc/04/72/37/1032047237.db2.gz FYSZSJKERBIAOF-ZDUSSCGKSA-N 1 2 343.333 3.734 20 30 EHEDLO N#CCC[C@@H]([NH2+]Cc1ccncc1Br)c1ccccc1 ZINC000599353919 1033887182 /nfs/dbraw/zinc/88/71/82/1033887182.db2.gz MJTIFSVLLPWKMR-MRXNPFEDSA-N 1 2 330.229 3.979 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccco3)CC2)c(C#N)c1C ZINC000595617958 1033903965 /nfs/dbraw/zinc/90/39/65/1033903965.db2.gz ZAIQMEOOCJDLIS-CYBMUJFWSA-N 1 2 341.411 3.568 20 30 EHEDLO C=C(Br)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084496847 1033913876 /nfs/dbraw/zinc/91/38/76/1033913876.db2.gz CTUVAAJWMYAXJV-HNNXBMFYSA-N 1 2 336.229 3.724 20 30 EHEDLO C=C(Br)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084496847 1033913884 /nfs/dbraw/zinc/91/38/84/1033913884.db2.gz CTUVAAJWMYAXJV-HNNXBMFYSA-N 1 2 336.229 3.724 20 30 EHEDLO CCC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000595784614 1033998607 /nfs/dbraw/zinc/99/86/07/1033998607.db2.gz SXRFPNIJIGBNHS-OAHLLOKOSA-N 1 2 339.414 3.937 20 30 EHEDLO CCC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000595784614 1033998612 /nfs/dbraw/zinc/99/86/12/1033998612.db2.gz SXRFPNIJIGBNHS-OAHLLOKOSA-N 1 2 339.414 3.937 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)c1C ZINC000599624826 1034073452 /nfs/dbraw/zinc/07/34/52/1034073452.db2.gz ZGYPZYRUNHZFGQ-OAHLLOKOSA-N 1 2 349.425 3.670 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)c1C ZINC000599624826 1034073470 /nfs/dbraw/zinc/07/34/70/1034073470.db2.gz ZGYPZYRUNHZFGQ-OAHLLOKOSA-N 1 2 349.425 3.670 20 30 EHEDLO CC(C)[N@@H+]1CCCC[C@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000596260568 1034152751 /nfs/dbraw/zinc/15/27/51/1034152751.db2.gz KQHQSNWTMJVYTF-HNNXBMFYSA-N 1 2 332.492 3.605 20 30 EHEDLO CC(C)[N@H+]1CCCC[C@H]1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000596260568 1034152761 /nfs/dbraw/zinc/15/27/61/1034152761.db2.gz KQHQSNWTMJVYTF-HNNXBMFYSA-N 1 2 332.492 3.605 20 30 EHEDLO CC[N@H+](Cc1cccc(F)c1)Cc1cccc(C(=O)OC)c1C#N ZINC000534487680 1034612515 /nfs/dbraw/zinc/61/25/15/1034612515.db2.gz NLQKOJBWZXQSBZ-UHFFFAOYSA-N 1 2 326.371 3.506 20 30 EHEDLO CC[N@@H+](Cc1cccc(F)c1)Cc1cccc(C(=O)OC)c1C#N ZINC000534487680 1034612521 /nfs/dbraw/zinc/61/25/21/1034612521.db2.gz NLQKOJBWZXQSBZ-UHFFFAOYSA-N 1 2 326.371 3.506 20 30 EHEDLO CN(C)c1ccc([NH+]2CCC(Nc3ccc(CC#N)cc3)CC2)cc1 ZINC000761221336 1034758694 /nfs/dbraw/zinc/75/86/94/1034758694.db2.gz ILPOUVQNJHNIQG-UHFFFAOYSA-N 1 2 334.467 3.900 20 30 EHEDLO N#CC1(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000450893657 1034922526 /nfs/dbraw/zinc/92/25/26/1034922526.db2.gz HJVZBBLKUGOBDU-ZDUSSCGKSA-N 1 2 332.753 3.676 20 30 EHEDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000571645874 1035581353 /nfs/dbraw/zinc/58/13/53/1035581353.db2.gz JQUNYYNDPYALBW-NSHDSACASA-N 1 2 330.413 3.733 20 30 EHEDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000571645874 1035581358 /nfs/dbraw/zinc/58/13/58/1035581358.db2.gz JQUNYYNDPYALBW-NSHDSACASA-N 1 2 330.413 3.733 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045008014 1035631714 /nfs/dbraw/zinc/63/17/14/1035631714.db2.gz OKGJZFAQGCMQIY-SJLPKXTDSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045008014 1035631730 /nfs/dbraw/zinc/63/17/30/1035631730.db2.gz OKGJZFAQGCMQIY-SJLPKXTDSA-N 1 2 333.863 3.531 20 30 EHEDLO N#Cc1c(Cl)cccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000492555928 1035999082 /nfs/dbraw/zinc/99/90/82/1035999082.db2.gz CKCDSTFMGXMLBI-IBGZPJMESA-N 1 2 341.842 3.697 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Br)[C@@H]1[C@H]1CCCO1 ZINC000589272763 1036333662 /nfs/dbraw/zinc/33/36/62/1036333662.db2.gz VGVXYHCHEHFOSS-HZPDHXFCSA-N 1 2 349.272 3.710 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H]1[C@H]1CCCO1 ZINC000589272763 1036333682 /nfs/dbraw/zinc/33/36/82/1036333682.db2.gz VGVXYHCHEHFOSS-HZPDHXFCSA-N 1 2 349.272 3.710 20 30 EHEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCCCNc1cccc[nH+]1 ZINC000180409087 1036780709 /nfs/dbraw/zinc/78/07/09/1036780709.db2.gz ASSUVZUSVDSKLT-UHFFFAOYSA-N 1 2 339.349 3.694 20 30 EHEDLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539609022 1036973113 /nfs/dbraw/zinc/97/31/13/1036973113.db2.gz AXENKUQLLBWHNB-LIRRHRJNSA-N 1 2 334.398 3.871 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000532472927 1037421823 /nfs/dbraw/zinc/42/18/23/1037421823.db2.gz ZLVJJCMDIZNGDC-GOSISDBHSA-N 1 2 339.826 3.987 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000532472927 1037421836 /nfs/dbraw/zinc/42/18/36/1037421836.db2.gz ZLVJJCMDIZNGDC-GOSISDBHSA-N 1 2 339.826 3.987 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000027775845 1037643838 /nfs/dbraw/zinc/64/38/38/1037643838.db2.gz NQSQXPZOASRAJQ-UHFFFAOYSA-N 1 2 340.379 3.650 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000027775845 1037643849 /nfs/dbraw/zinc/64/38/49/1037643849.db2.gz NQSQXPZOASRAJQ-UHFFFAOYSA-N 1 2 340.379 3.650 20 30 EHEDLO N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591907833 1037705783 /nfs/dbraw/zinc/70/57/83/1037705783.db2.gz JOBHZFVUGVBWQM-AWEZNQCLSA-N 1 2 337.814 3.798 20 30 EHEDLO N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591907835 1037707050 /nfs/dbraw/zinc/70/70/50/1037707050.db2.gz JOBHZFVUGVBWQM-CQSZACIVSA-N 1 2 337.814 3.798 20 30 EHEDLO N#CCn1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc2ccccc21 ZINC000609165824 1037852773 /nfs/dbraw/zinc/85/27/73/1037852773.db2.gz WVBLFUULKYNPMZ-UHFFFAOYSA-N 1 2 341.374 3.603 20 30 EHEDLO N#CC1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000123668364 1038054065 /nfs/dbraw/zinc/05/40/65/1038054065.db2.gz HOTVCKAKRNULJL-KRWDZBQOSA-N 1 2 334.847 3.633 20 30 EHEDLO N#CCCCOc1cccc(C[NH2+][C@H]2COc3cc(F)cc(F)c32)c1 ZINC000378653820 1038834952 /nfs/dbraw/zinc/83/49/52/1038834952.db2.gz XHHFHKSTZOFSBK-KRWDZBQOSA-N 1 2 344.361 3.871 20 30 EHEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1ccc(C)cc1 ZINC000195501533 1038997535 /nfs/dbraw/zinc/99/75/35/1038997535.db2.gz YOCKZAFKYIBYIG-UHFFFAOYSA-N 1 2 337.452 3.709 20 30 EHEDLO N#CCC[C@H](C#N)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000905786984 1039116504 /nfs/dbraw/zinc/11/65/04/1039116504.db2.gz VOGYRRQKHKOFAM-LLVKDONJSA-N 1 2 332.201 3.728 20 30 EHEDLO N#Cc1cccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1F ZINC000512456613 1039218515 /nfs/dbraw/zinc/21/85/15/1039218515.db2.gz NGDFUJLKSGVHFQ-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2scc(C)c2C#N)c1C ZINC000567331311 1039398365 /nfs/dbraw/zinc/39/83/65/1039398365.db2.gz UTWMOIZUVSJBJB-UHFFFAOYSA-N 1 2 344.440 3.613 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCN(c2cccs2)CC1 ZINC000757850270 1039432737 /nfs/dbraw/zinc/43/27/37/1039432737.db2.gz GUMBGVPLENSQOX-UHFFFAOYSA-N 1 2 347.871 3.626 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000489419928 1039957599 /nfs/dbraw/zinc/95/75/99/1039957599.db2.gz APPSHMABFCDONR-HNNXBMFYSA-N 1 2 329.469 3.774 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000489419928 1039957610 /nfs/dbraw/zinc/95/76/10/1039957610.db2.gz APPSHMABFCDONR-HNNXBMFYSA-N 1 2 329.469 3.774 20 30 EHEDLO Cc1nccc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000614160911 1040310816 /nfs/dbraw/zinc/31/08/16/1040310816.db2.gz UDOFWLYEWJYNDL-HNNXBMFYSA-N 1 2 326.831 3.690 20 30 EHEDLO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000614160911 1040310833 /nfs/dbraw/zinc/31/08/33/1040310833.db2.gz UDOFWLYEWJYNDL-HNNXBMFYSA-N 1 2 326.831 3.690 20 30 EHEDLO CCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1nnc2ccccn21 ZINC000512672065 1040480632 /nfs/dbraw/zinc/48/06/32/1040480632.db2.gz IMOBKEJUXFDHMX-SUMWQHHRSA-N 1 2 337.402 3.932 20 30 EHEDLO CC[N@H+](Cc1cn(-c2ccc(F)cc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000600106848 1040651282 /nfs/dbraw/zinc/65/12/82/1040651282.db2.gz IPJGSEWRMAZRDB-OAHLLOKOSA-N 1 2 349.413 3.861 20 30 EHEDLO CC[N@@H+](Cc1cn(-c2ccc(F)cc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000600106848 1040651293 /nfs/dbraw/zinc/65/12/93/1040651293.db2.gz IPJGSEWRMAZRDB-OAHLLOKOSA-N 1 2 349.413 3.861 20 30 EHEDLO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000555527827 1040766939 /nfs/dbraw/zinc/76/69/39/1040766939.db2.gz SPBLICPYASUYDO-INWMFGNUSA-N 1 2 340.345 3.651 20 30 EHEDLO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000555527827 1040766944 /nfs/dbraw/zinc/76/69/44/1040766944.db2.gz SPBLICPYASUYDO-INWMFGNUSA-N 1 2 340.345 3.651 20 30 EHEDLO Cc1[nH+]c2ccc(Br)cc2c(NCC2(C#N)CC2)c1C ZINC000571192087 1041211865 /nfs/dbraw/zinc/21/18/65/1041211865.db2.gz AWMNLPFYHITNLB-UHFFFAOYSA-N 1 2 330.229 3.752 20 30 EHEDLO C=CC[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000660470037 1041515929 /nfs/dbraw/zinc/51/59/29/1041515929.db2.gz SLSPEEIXCKEPRB-OAHLLOKOSA-N 1 2 342.418 3.509 20 30 EHEDLO N#Cc1cscc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000343874682 1042018673 /nfs/dbraw/zinc/01/86/73/1042018673.db2.gz UXFODYHGGGQSNF-UHFFFAOYSA-N 1 2 346.415 3.787 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccc(OC)cc2)n1)[C@H](C)COC ZINC000661242451 1042025283 /nfs/dbraw/zinc/02/52/83/1042025283.db2.gz ATOTVYILKZKVSI-CQSZACIVSA-N 1 2 332.469 3.842 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(OC)cc2)n1)[C@H](C)COC ZINC000661242451 1042025292 /nfs/dbraw/zinc/02/52/92/1042025292.db2.gz ATOTVYILKZKVSI-CQSZACIVSA-N 1 2 332.469 3.842 20 30 EHEDLO CC(C)c1ccc2ncc(C#N)c(NCCCCn3cc[nH+]c3)c2c1 ZINC000569186837 1042958365 /nfs/dbraw/zinc/95/83/65/1042958365.db2.gz UXLOAEFECCAUDJ-UHFFFAOYSA-N 1 2 333.439 3.741 20 30 EHEDLO O=C(CCCn1cc[nH+]c1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000623250584 1126905824 /nfs/dbraw/zinc/90/58/24/1126905824.db2.gz QAFMUJSPQRCMNN-UHFFFAOYSA-N 1 2 329.403 3.702 20 30 EHEDLO C#CC[N@@H+](Cc1coc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000763950880 1126957402 /nfs/dbraw/zinc/95/74/02/1126957402.db2.gz ZTAYJZGMNNLPBY-UHFFFAOYSA-N 1 2 331.213 3.702 20 30 EHEDLO C#CC[N@H+](Cc1coc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000763950880 1126957405 /nfs/dbraw/zinc/95/74/05/1126957405.db2.gz ZTAYJZGMNNLPBY-UHFFFAOYSA-N 1 2 331.213 3.702 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765032504 1127565174 /nfs/dbraw/zinc/56/51/74/1127565174.db2.gz WGGVXCKTKDMSQW-CABCVRRESA-N 1 2 343.500 3.740 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000765032504 1127565176 /nfs/dbraw/zinc/56/51/76/1127565176.db2.gz WGGVXCKTKDMSQW-CABCVRRESA-N 1 2 343.500 3.740 20 30 EHEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301169621 1128575933 /nfs/dbraw/zinc/57/59/33/1128575933.db2.gz DRRFSRKAAHSZIA-AWEZNQCLSA-N 1 2 327.378 3.720 20 30 EHEDLO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301659149 1128601010 /nfs/dbraw/zinc/60/10/10/1128601010.db2.gz WQRFZXNKOGRPLQ-HNNXBMFYSA-N 1 2 333.313 3.630 20 30 EHEDLO CC(=O)c1ccc(C#N)cc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000302047204 1128616570 /nfs/dbraw/zinc/61/65/70/1128616570.db2.gz LNIMRLLEKXXMIG-UHFFFAOYSA-N 1 2 334.423 3.758 20 30 EHEDLO Cc1cc(Nc2nnc(C)c(C)c2C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000542797794 1128636720 /nfs/dbraw/zinc/63/67/20/1128636720.db2.gz FXRYCPMYKJRTQS-CYBMUJFWSA-N 1 2 336.443 3.791 20 30 EHEDLO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000008152394 1128904639 /nfs/dbraw/zinc/90/46/39/1128904639.db2.gz SYOAAFYLQOASRR-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000008152394 1128904644 /nfs/dbraw/zinc/90/46/44/1128904644.db2.gz SYOAAFYLQOASRR-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000185522814 1120418166 /nfs/dbraw/zinc/41/81/66/1120418166.db2.gz PNHHJHBUVQQUSA-LSDHHAIUSA-N 1 2 336.426 3.648 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000185522814 1120418167 /nfs/dbraw/zinc/41/81/67/1120418167.db2.gz PNHHJHBUVQQUSA-LSDHHAIUSA-N 1 2 336.426 3.648 20 30 EHEDLO CC#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944399 1120436866 /nfs/dbraw/zinc/43/68/66/1120436866.db2.gz JAMMDKMXNVPUGW-SJLPKXTDSA-N 1 2 336.838 3.534 20 30 EHEDLO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944399 1120436870 /nfs/dbraw/zinc/43/68/70/1120436870.db2.gz JAMMDKMXNVPUGW-SJLPKXTDSA-N 1 2 336.838 3.534 20 30 EHEDLO CC(C)(C#N)c1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000194065008 1120820001 /nfs/dbraw/zinc/82/00/01/1120820001.db2.gz CLWZJMDQTQJOJR-UHFFFAOYSA-N 1 2 337.427 3.506 20 30 EHEDLO C=CCOc1ccccc1C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000194999294 1120876823 /nfs/dbraw/zinc/87/68/23/1120876823.db2.gz ZSTNXOSLTHNGNY-UHFFFAOYSA-N 1 2 340.423 3.544 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000914570419 1120903668 /nfs/dbraw/zinc/90/36/68/1120903668.db2.gz JBHOPCZUZWLNPI-UHFFFAOYSA-N 1 2 328.799 3.894 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000914570419 1120903670 /nfs/dbraw/zinc/90/36/70/1120903670.db2.gz JBHOPCZUZWLNPI-UHFFFAOYSA-N 1 2 328.799 3.894 20 30 EHEDLO C#CCOc1cccc(-c2noc([C@@H](CC(C)C)n3cc[nH+]c3)n2)c1 ZINC000923860596 1121290144 /nfs/dbraw/zinc/29/01/44/1121290144.db2.gz FMZVBAKWHWMKBJ-QGZVFWFLSA-N 1 2 336.395 3.581 20 30 EHEDLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000032489715 1121533493 /nfs/dbraw/zinc/53/34/93/1121533493.db2.gz XDYZDUXFPDQKIW-HNNXBMFYSA-N 1 2 339.464 3.614 20 30 EHEDLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000032489715 1121533499 /nfs/dbraw/zinc/53/34/99/1121533499.db2.gz XDYZDUXFPDQKIW-HNNXBMFYSA-N 1 2 339.464 3.614 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000153381435 1121938875 /nfs/dbraw/zinc/93/88/75/1121938875.db2.gz MFOKGMBIKHURPM-JLTOFOAXSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000153381435 1121938878 /nfs/dbraw/zinc/93/88/78/1121938878.db2.gz MFOKGMBIKHURPM-JLTOFOAXSA-N 1 2 340.398 3.668 20 30 EHEDLO C=C(Br)C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496401646 1122073691 /nfs/dbraw/zinc/07/36/91/1122073691.db2.gz UNFWJSQKKRDQPT-LBPRGKRZSA-N 1 2 339.233 3.545 20 30 EHEDLO C=C(Br)C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496401646 1122073698 /nfs/dbraw/zinc/07/36/98/1122073698.db2.gz UNFWJSQKKRDQPT-LBPRGKRZSA-N 1 2 339.233 3.545 20 30 EHEDLO C#CCC[NH+]1CCN(C(=O)c2oc3c(ccc4ccccc34)c2C)CC1 ZINC000139277859 1122477465 /nfs/dbraw/zinc/47/74/65/1122477465.db2.gz KLUTUNLBGUXWFG-UHFFFAOYSA-N 1 2 346.430 3.676 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3ccccc3)no2)C2CC2)cc1 ZINC000194964778 1123095561 /nfs/dbraw/zinc/09/55/61/1123095561.db2.gz MNLSLJHNGGMNHZ-UHFFFAOYSA-N 1 2 330.391 3.773 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3ccccc3)no2)C2CC2)cc1 ZINC000194964778 1123095563 /nfs/dbraw/zinc/09/55/63/1123095563.db2.gz MNLSLJHNGGMNHZ-UHFFFAOYSA-N 1 2 330.391 3.773 20 30 EHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000617043035 1124079520 /nfs/dbraw/zinc/07/95/20/1124079520.db2.gz YTIYVNDENPXQFF-QUCCMNQESA-N 1 2 337.467 3.725 20 30 EHEDLO C=CC[N@H+](CC1CCCCC1)Cn1c(=O)scc1-c1ccccn1 ZINC000069797515 1125061924 /nfs/dbraw/zinc/06/19/24/1125061924.db2.gz FYSVNPHDYWTZOW-UHFFFAOYSA-N 1 2 343.496 3.998 20 30 EHEDLO C=CC[N@@H+](CC1CCCCC1)Cn1c(=O)scc1-c1ccccn1 ZINC000069797515 1125061932 /nfs/dbraw/zinc/06/19/32/1125061932.db2.gz FYSVNPHDYWTZOW-UHFFFAOYSA-N 1 2 343.496 3.998 20 30 EHEDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428978919 1129658801 /nfs/dbraw/zinc/65/88/01/1129658801.db2.gz PPAGIBWVWNRELD-MRXNPFEDSA-N 1 2 340.398 3.749 20 30 EHEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428978919 1129658802 /nfs/dbraw/zinc/65/88/02/1129658802.db2.gz PPAGIBWVWNRELD-MRXNPFEDSA-N 1 2 340.398 3.749 20 30 EHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(C#N)cc1 ZINC000556078245 1129820809 /nfs/dbraw/zinc/82/08/09/1129820809.db2.gz HBECAFIUXHVSQP-QGZVFWFLSA-N 1 2 335.386 3.723 20 30 EHEDLO CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(C#N)cc1 ZINC000556078245 1129820811 /nfs/dbraw/zinc/82/08/11/1129820811.db2.gz HBECAFIUXHVSQP-QGZVFWFLSA-N 1 2 335.386 3.723 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3csc(C4CC4)n3)CC2)c1 ZINC000162942751 1129913268 /nfs/dbraw/zinc/91/32/68/1129913268.db2.gz XZPDHMMTZKEQMI-UHFFFAOYSA-N 1 2 339.464 3.936 20 30 EHEDLO Cc1ccc([C@@H](CNCc2ccc(C#N)cc2F)[NH+]2CCCC2)o1 ZINC000347845609 1129918372 /nfs/dbraw/zinc/91/83/72/1129918372.db2.gz BLOLLKKONFDHMA-GOSISDBHSA-N 1 2 327.403 3.526 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(N2CCCC2=O)cc1 ZINC000730148191 1130679196 /nfs/dbraw/zinc/67/91/96/1130679196.db2.gz ZMFMSDJMIXXLBZ-UHFFFAOYSA-N 1 2 344.418 3.620 20 30 EHEDLO C=CCCC[N@@H+](C)Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000736590378 1131427239 /nfs/dbraw/zinc/42/72/39/1131427239.db2.gz UJMSCVNIJOBKBJ-UHFFFAOYSA-N 1 2 333.457 3.949 20 30 EHEDLO C=CCCC[N@H+](C)Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000736590378 1131427242 /nfs/dbraw/zinc/42/72/42/1131427242.db2.gz UJMSCVNIJOBKBJ-UHFFFAOYSA-N 1 2 333.457 3.949 20 30 EHEDLO C=CC1CC[NH+](Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)CC1 ZINC000742147454 1131691059 /nfs/dbraw/zinc/69/10/59/1131691059.db2.gz IMHBBFDYMVTOIY-UHFFFAOYSA-N 1 2 340.496 3.952 20 30 EHEDLO CCOC(=O)[C@H](CSCc1ccccc1)[NH2+][C@@H](C)CCCC#N ZINC001172494259 1131757750 /nfs/dbraw/zinc/75/77/50/1131757750.db2.gz YFYUETLUQNHTMN-RDJZCZTQSA-N 1 2 334.485 3.523 20 30 EHEDLO CCCCCCC[C@@H](CCC)[N@@H+]1CCn2c(C(=O)NC)cnc2C1 ZINC001172511545 1131764589 /nfs/dbraw/zinc/76/45/89/1131764589.db2.gz SSBAHPLIXZCYFC-MRXNPFEDSA-N 1 2 334.508 3.588 20 30 EHEDLO CCCCCCC[C@@H](CCC)[N@H+]1CCn2c(C(=O)NC)cnc2C1 ZINC001172511545 1131764590 /nfs/dbraw/zinc/76/45/90/1131764590.db2.gz SSBAHPLIXZCYFC-MRXNPFEDSA-N 1 2 334.508 3.588 20 30 EHEDLO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212671397 1131794319 /nfs/dbraw/zinc/79/43/19/1131794319.db2.gz LEQXDEYGPARSAD-UHFFFAOYSA-N 1 2 348.233 3.785 20 30 EHEDLO C=C(Br)C[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000743862558 1131990139 /nfs/dbraw/zinc/99/01/39/1131990139.db2.gz JJBRBAIFSCRKFG-QGZVFWFLSA-N 1 2 338.289 3.927 20 30 EHEDLO C=C(Br)C[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000743862558 1131990146 /nfs/dbraw/zinc/99/01/46/1131990146.db2.gz JJBRBAIFSCRKFG-QGZVFWFLSA-N 1 2 338.289 3.927 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)on1 ZINC000744139739 1132028897 /nfs/dbraw/zinc/02/88/97/1132028897.db2.gz HJZJWTIYIBCJNV-SFHVURJKSA-N 1 2 333.395 3.513 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@H+]2Cn2ccc(-c3ccc(C#N)cc3)n2)on1 ZINC000744139739 1132028905 /nfs/dbraw/zinc/02/89/05/1132028905.db2.gz HJZJWTIYIBCJNV-SFHVURJKSA-N 1 2 333.395 3.513 20 30 EHEDLO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000744428352 1132097083 /nfs/dbraw/zinc/09/70/83/1132097083.db2.gz IXBITMXTUBGSCJ-MCIONIFRSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000744428352 1132097091 /nfs/dbraw/zinc/09/70/91/1132097091.db2.gz IXBITMXTUBGSCJ-MCIONIFRSA-N 1 2 327.453 3.593 20 30 EHEDLO CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591154 1132097154 /nfs/dbraw/zinc/09/71/54/1132097154.db2.gz URTQVMRTIDKUAN-TVRKMHQQSA-N 1 2 348.874 3.876 20 30 EHEDLO C#CC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)C1CCCCC1 ZINC000744739125 1132144646 /nfs/dbraw/zinc/14/46/46/1132144646.db2.gz HTVWJWXLODQBDP-UHFFFAOYSA-N 1 2 343.402 3.556 20 30 EHEDLO C#CC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)C1CCCCC1 ZINC000744739125 1132144650 /nfs/dbraw/zinc/14/46/50/1132144650.db2.gz HTVWJWXLODQBDP-UHFFFAOYSA-N 1 2 343.402 3.556 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+](CCc2ccccc2)C2CC2)c1=S ZINC000746023466 1132350159 /nfs/dbraw/zinc/35/01/59/1132350159.db2.gz VJYAIMMHFCZTOI-UHFFFAOYSA-N 1 2 328.485 3.573 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+](CCc2ccccc2)C2CC2)c1=S ZINC000746023466 1132350167 /nfs/dbraw/zinc/35/01/67/1132350167.db2.gz VJYAIMMHFCZTOI-UHFFFAOYSA-N 1 2 328.485 3.573 20 30 EHEDLO C=CCn1nnn(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)c1=S ZINC000746064162 1132363594 /nfs/dbraw/zinc/36/35/94/1132363594.db2.gz GLTXYOZSAHSDES-UHFFFAOYSA-N 1 2 347.463 3.536 20 30 EHEDLO C=CCn1nnn(C[N@H+](Cc2cccc(F)c2)C2CCCC2)c1=S ZINC000746064162 1132363600 /nfs/dbraw/zinc/36/36/00/1132363600.db2.gz GLTXYOZSAHSDES-UHFFFAOYSA-N 1 2 347.463 3.536 20 30 EHEDLO N#Cc1cc(F)cc(Nc2cc(Br)c3[nH+]ccn3c2)c1 ZINC001175683171 1132737655 /nfs/dbraw/zinc/73/76/55/1132737655.db2.gz ASHLJWOXAWFJFA-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO Nc1cc(C(F)(F)F)c(Nc2c(F)c(F)cc(F)c2F)c[nH+]1 ZINC001175712548 1132740607 /nfs/dbraw/zinc/74/06/07/1132740607.db2.gz DAWXXCPEUOHISG-UHFFFAOYSA-N 1 2 325.187 3.983 20 30 EHEDLO N#Cc1nc2ccc(Nc3c[nH+]c(N)cc3C(F)(F)F)cc2s1 ZINC001175717862 1132743075 /nfs/dbraw/zinc/74/30/75/1132743075.db2.gz UMMZKRWHXFUCJJ-UHFFFAOYSA-N 1 2 335.314 3.908 20 30 EHEDLO COc1cc[nH+]cc1Nc1c(C#N)cnn1-c1cccc(Cl)c1 ZINC001176119098 1132852460 /nfs/dbraw/zinc/85/24/60/1132852460.db2.gz OIHACGXDOULTPZ-UHFFFAOYSA-N 1 2 325.759 3.545 20 30 EHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1ccc(F)c(C#N)c1 ZINC001176614564 1132972431 /nfs/dbraw/zinc/97/24/31/1132972431.db2.gz NQPUCKHIFZLBOR-UHFFFAOYSA-N 1 2 337.358 3.593 20 30 EHEDLO C=CC[N@@H+](CCC(=O)C1CC1)Cc1cc(Br)ccc1F ZINC000767384301 1132995537 /nfs/dbraw/zinc/99/55/37/1132995537.db2.gz WAFHQWAMTDTMDL-UHFFFAOYSA-N 1 2 340.236 3.945 20 30 EHEDLO C=CC[N@H+](CCC(=O)C1CC1)Cc1cc(Br)ccc1F ZINC000767384301 1132995541 /nfs/dbraw/zinc/99/55/41/1132995541.db2.gz WAFHQWAMTDTMDL-UHFFFAOYSA-N 1 2 340.236 3.945 20 30 EHEDLO C[C@@H](C#N)c1ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC001176967528 1133017487 /nfs/dbraw/zinc/01/74/87/1133017487.db2.gz OTKWDUORSQCXDZ-RDJZCZTQSA-N 1 2 334.423 3.564 20 30 EHEDLO C[C@H](C#N)c1ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC001176967529 1133017613 /nfs/dbraw/zinc/01/76/13/1133017613.db2.gz OTKWDUORSQCXDZ-WBVHZDCISA-N 1 2 334.423 3.564 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCC2CC2)c1 ZINC000768916262 1133203462 /nfs/dbraw/zinc/20/34/62/1133203462.db2.gz XHERHGQFFSCJDB-UHFFFAOYSA-N 1 2 348.446 3.527 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OCC2CC2)c1 ZINC000768916262 1133203466 /nfs/dbraw/zinc/20/34/66/1133203466.db2.gz XHERHGQFFSCJDB-UHFFFAOYSA-N 1 2 348.446 3.527 20 30 EHEDLO CC(C)(C)OC(=O)Nc1ccc(C[N@H+](CCC#N)CC2CC2)cn1 ZINC000769335569 1133264834 /nfs/dbraw/zinc/26/48/34/1133264834.db2.gz LZJAKLACLVEONL-UHFFFAOYSA-N 1 2 330.432 3.554 20 30 EHEDLO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+](CCC#N)CC2CC2)cn1 ZINC000769335569 1133264841 /nfs/dbraw/zinc/26/48/41/1133264841.db2.gz LZJAKLACLVEONL-UHFFFAOYSA-N 1 2 330.432 3.554 20 30 EHEDLO N#CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770713518 1133464923 /nfs/dbraw/zinc/46/49/23/1133464923.db2.gz YKCOCOLOTSVBNJ-GOSISDBHSA-N 1 2 346.377 3.737 20 30 EHEDLO N#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770713518 1133464926 /nfs/dbraw/zinc/46/49/26/1133464926.db2.gz YKCOCOLOTSVBNJ-GOSISDBHSA-N 1 2 346.377 3.737 20 30 EHEDLO Fc1cc(Br)ccc1NN=Cc1cccc2[nH+]ccn21 ZINC000771100272 1133509992 /nfs/dbraw/zinc/50/99/92/1133509992.db2.gz JHAIDFMVCYRNRQ-UHFFFAOYSA-N 1 2 333.164 3.682 20 30 EHEDLO O=C1C/C(=C/c2cc(-n3cc[nH+]c3)cs2)C(=O)c2ccccc2N1 ZINC000774144136 1133621512 /nfs/dbraw/zinc/62/15/12/1133621512.db2.gz ZSIFAFSWESNCGK-GHXNOFRVSA-N 1 2 335.388 3.542 20 30 EHEDLO C[C@H](C(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC001182794737 1133729659 /nfs/dbraw/zinc/72/96/59/1133729659.db2.gz XHIWRSISZHIVCM-INIZCTEOSA-N 1 2 344.418 3.506 20 30 EHEDLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000787648797 1134025062 /nfs/dbraw/zinc/02/50/62/1134025062.db2.gz DCNJAVDSDXFREG-AWEZNQCLSA-N 1 2 329.831 3.859 20 30 EHEDLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000787648797 1134025067 /nfs/dbraw/zinc/02/50/67/1134025067.db2.gz DCNJAVDSDXFREG-AWEZNQCLSA-N 1 2 329.831 3.859 20 30 EHEDLO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000787653571 1134026139 /nfs/dbraw/zinc/02/61/39/1134026139.db2.gz PTEJTSREXGVMMT-AWEZNQCLSA-N 1 2 329.831 3.859 20 30 EHEDLO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000787653571 1134026146 /nfs/dbraw/zinc/02/61/46/1134026146.db2.gz PTEJTSREXGVMMT-AWEZNQCLSA-N 1 2 329.831 3.859 20 30 EHEDLO C#CCC1(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CCCCC1 ZINC000788240870 1134099874 /nfs/dbraw/zinc/09/98/74/1134099874.db2.gz KBNLAJMYQBTMST-QGZVFWFLSA-N 1 2 344.524 3.927 20 30 EHEDLO C[C@@H](NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2)C1CCCCC1 ZINC001186310337 1134198717 /nfs/dbraw/zinc/19/87/17/1134198717.db2.gz QNOOTLUFMJZHPJ-GFCCVEGCSA-N 1 2 346.500 3.698 20 30 EHEDLO C[C@@H](NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2)C1CCCCC1 ZINC001186310337 1134198721 /nfs/dbraw/zinc/19/87/21/1134198721.db2.gz QNOOTLUFMJZHPJ-GFCCVEGCSA-N 1 2 346.500 3.698 20 30 EHEDLO CCNc1cc(CNc2nccc(Oc3cccc(C#N)c3)n2)cc[nH+]1 ZINC001187242193 1134313397 /nfs/dbraw/zinc/31/33/97/1134313397.db2.gz FKANETDNGKTAEY-UHFFFAOYSA-N 1 2 346.394 3.579 20 30 EHEDLO N#Cc1ccc(Oc2cccc(C(=O)OCc3cc[nH+]c(N)c3)c2)cc1 ZINC000791842177 1134618617 /nfs/dbraw/zinc/61/86/17/1134618617.db2.gz KIUONAMEYBFLAM-UHFFFAOYSA-N 1 2 345.358 3.685 20 30 EHEDLO C=C(C)C[N@@H+](CC(=O)OCC)[C@@H](C)c1cccc(Br)c1 ZINC001192427804 1135012655 /nfs/dbraw/zinc/01/26/55/1135012655.db2.gz NIYSDILAOYDQJF-ZDUSSCGKSA-N 1 2 340.261 3.951 20 30 EHEDLO C=C(C)C[N@H+](CC(=O)OCC)[C@@H](C)c1cccc(Br)c1 ZINC001192427804 1135012657 /nfs/dbraw/zinc/01/26/57/1135012657.db2.gz NIYSDILAOYDQJF-ZDUSSCGKSA-N 1 2 340.261 3.951 20 30 EHEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(Br)cc1)C2 ZINC001203909025 1135825141 /nfs/dbraw/zinc/82/51/41/1135825141.db2.gz HOVZHTHNKORNEV-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(Br)cc1)C2 ZINC001203909025 1135825145 /nfs/dbraw/zinc/82/51/45/1135825145.db2.gz HOVZHTHNKORNEV-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO Cn1cc[nH+]c1NN=Cc1cc(C(F)(F)F)ccc1Br ZINC000811649757 1136117043 /nfs/dbraw/zinc/11/70/43/1136117043.db2.gz WNOHFPBMFJIDOD-UHFFFAOYSA-N 1 2 347.138 3.647 20 30 EHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(Br)nc3)c[nH+]c12 ZINC000811697170 1136126590 /nfs/dbraw/zinc/12/65/90/1136126590.db2.gz RLWVRWSINZWBBV-AATRIKPKSA-N 1 2 342.196 3.696 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccccc2)n1 ZINC000109315503 1136247881 /nfs/dbraw/zinc/24/78/81/1136247881.db2.gz UVWBZPQKKYCQBB-UHFFFAOYSA-N 1 2 346.434 3.528 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccccc2)n1 ZINC000109315503 1136247883 /nfs/dbraw/zinc/24/78/83/1136247883.db2.gz UVWBZPQKKYCQBB-UHFFFAOYSA-N 1 2 346.434 3.528 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cc([N+](=O)[O-])ccc3F)n21 ZINC000814190448 1136415412 /nfs/dbraw/zinc/41/54/12/1136415412.db2.gz GUPSJPVEKWGTRI-SOFGYWHQSA-N 1 2 325.299 3.586 20 30 EHEDLO C[C@H](C#N)[N@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852481744 1136459618 /nfs/dbraw/zinc/45/96/18/1136459618.db2.gz PBLPVWDAGSALAQ-BZUAXINKSA-N 1 2 335.492 3.694 20 30 EHEDLO C[C@H](C#N)[N@@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852481744 1136459620 /nfs/dbraw/zinc/45/96/20/1136459620.db2.gz PBLPVWDAGSALAQ-BZUAXINKSA-N 1 2 335.492 3.694 20 30 EHEDLO C=CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000852554904 1136466083 /nfs/dbraw/zinc/46/60/83/1136466083.db2.gz YIGRZOOZYJJTBP-ZDUSSCGKSA-N 1 2 327.453 3.759 20 30 EHEDLO C=CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000852554904 1136466084 /nfs/dbraw/zinc/46/60/84/1136466084.db2.gz YIGRZOOZYJJTBP-ZDUSSCGKSA-N 1 2 327.453 3.759 20 30 EHEDLO Fc1cc(F)cc(C2CC(=[NH+]n3cc(Br)cn3)C2)c1 ZINC000814884575 1136524551 /nfs/dbraw/zinc/52/45/51/1136524551.db2.gz NTUXHJKEOUDCCA-UHFFFAOYSA-N 1 2 326.144 3.706 20 30 EHEDLO C=CC[N@H+](CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1)[C@H](C)COC ZINC000853534250 1136542261 /nfs/dbraw/zinc/54/22/61/1136542261.db2.gz HSYXAYALGCURCQ-MJGOQNOKSA-N 1 2 342.483 3.611 20 30 EHEDLO C=CC[N@@H+](CN1C(=O)C2(CCCC2)[C@@H]1c1ccccc1)[C@H](C)COC ZINC000853534250 1136542263 /nfs/dbraw/zinc/54/22/63/1136542263.db2.gz HSYXAYALGCURCQ-MJGOQNOKSA-N 1 2 342.483 3.611 20 30 EHEDLO C#Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC001135436361 1136684410 /nfs/dbraw/zinc/68/44/10/1136684410.db2.gz FZSSFECLJLNRCO-LJQANCHMSA-N 1 2 338.838 3.924 20 30 EHEDLO C#Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC001135436361 1136684413 /nfs/dbraw/zinc/68/44/13/1136684413.db2.gz FZSSFECLJLNRCO-LJQANCHMSA-N 1 2 338.838 3.924 20 30 EHEDLO Cc1cccc2[nH]c(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc21 ZINC000824948825 1137159052 /nfs/dbraw/zinc/15/90/52/1137159052.db2.gz HRTDQFGCFFUPDS-OAQYLSRUSA-N 1 2 331.419 3.922 20 30 EHEDLO Cc1cccc2[nH]c(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)cc21 ZINC000824948825 1137159053 /nfs/dbraw/zinc/15/90/53/1137159053.db2.gz HRTDQFGCFFUPDS-OAQYLSRUSA-N 1 2 331.419 3.922 20 30 EHEDLO COc1ccc(CNc2[nH]c3ccc(C#N)cc3[nH+]2)cc1OC1CC1 ZINC000865295376 1137275232 /nfs/dbraw/zinc/27/52/32/1137275232.db2.gz FWJHIKQYJRBACH-UHFFFAOYSA-N 1 2 334.379 3.596 20 30 EHEDLO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866221903 1137336013 /nfs/dbraw/zinc/33/60/13/1137336013.db2.gz UXZRAHQRDSWMJF-JXFKEZNVSA-N 1 2 335.451 3.752 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2cccnc2OC2CCCC2)c1 ZINC000876929974 1137665646 /nfs/dbraw/zinc/66/56/46/1137665646.db2.gz JMNOIGNVGCKLHO-UHFFFAOYSA-N 1 2 342.830 3.613 20 30 EHEDLO C#CC[C@H]([NH2+]Cc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1 ZINC000877119933 1137670677 /nfs/dbraw/zinc/67/06/77/1137670677.db2.gz LPKYLXODUSOTHK-FQEVSTJZSA-N 1 2 342.446 3.999 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1c1cc(C)on1)c1ccccc1 ZINC000877921317 1137695738 /nfs/dbraw/zinc/69/57/38/1137695738.db2.gz HENVLUXDOLKGEK-PMACEKPBSA-N 1 2 337.423 3.561 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1c1cc(C)on1)c1ccccc1 ZINC000877921317 1137695739 /nfs/dbraw/zinc/69/57/39/1137695739.db2.gz HENVLUXDOLKGEK-PMACEKPBSA-N 1 2 337.423 3.561 20 30 EHEDLO COC(=O)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CCCC(C)(C)C#N ZINC000879399494 1137746643 /nfs/dbraw/zinc/74/66/43/1137746643.db2.gz KSJMOLXVULLSKQ-SFHVURJKSA-N 1 2 336.863 3.734 20 30 EHEDLO C#CCC1(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCC1 ZINC000886656103 1138108721 /nfs/dbraw/zinc/10/87/21/1138108721.db2.gz REVJVSSSBKFWJR-SFHVURJKSA-N 1 2 335.451 3.774 20 30 EHEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000089126256 1138195482 /nfs/dbraw/zinc/19/54/82/1138195482.db2.gz CXXXYBAXUSDVHU-GFCCVEGCSA-N 1 2 331.416 3.573 20 30 EHEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCC(F)(F)F ZINC000093090863 1138234413 /nfs/dbraw/zinc/23/44/13/1138234413.db2.gz YURKNHLDYOQPMV-GFCCVEGCSA-N 1 2 330.350 3.760 20 30 EHEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCC(F)(F)F ZINC000093090863 1138234414 /nfs/dbraw/zinc/23/44/14/1138234414.db2.gz YURKNHLDYOQPMV-GFCCVEGCSA-N 1 2 330.350 3.760 20 30 EHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000127470322 1138359227 /nfs/dbraw/zinc/35/92/27/1138359227.db2.gz GAGZOQPCBJDPQB-BLLLJJGKSA-N 1 2 343.818 3.523 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000263897867 1138388720 /nfs/dbraw/zinc/38/87/20/1138388720.db2.gz IJPBPKHXQPUMKR-AWEZNQCLSA-N 1 2 336.505 3.805 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000263897867 1138388723 /nfs/dbraw/zinc/38/87/23/1138388723.db2.gz IJPBPKHXQPUMKR-AWEZNQCLSA-N 1 2 336.505 3.805 20 30 EHEDLO CC(C)C[N@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000337124666 1138471745 /nfs/dbraw/zinc/47/17/45/1138471745.db2.gz DGNUCBQXHWHNBZ-UHFFFAOYSA-N 1 2 345.450 3.797 20 30 EHEDLO CC(C)C[N@@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000337124666 1138471747 /nfs/dbraw/zinc/47/17/47/1138471747.db2.gz DGNUCBQXHWHNBZ-UHFFFAOYSA-N 1 2 345.450 3.797 20 30 EHEDLO Cc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000265324239 1138812283 /nfs/dbraw/zinc/81/22/83/1138812283.db2.gz FKZCDRSCVUCVFU-UHFFFAOYSA-N 1 2 334.423 3.582 20 30 EHEDLO Cc1occc1C[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174832712 1139445253 /nfs/dbraw/zinc/44/52/53/1139445253.db2.gz FXCJUORGZJBJIK-UHFFFAOYSA-N 1 2 335.407 3.771 20 30 EHEDLO Cc1occc1C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174832712 1139445256 /nfs/dbraw/zinc/44/52/56/1139445256.db2.gz FXCJUORGZJBJIK-UHFFFAOYSA-N 1 2 335.407 3.771 20 30 EHEDLO COc1ccc(C[C@H](C)C[N@H+](CCC#N)Cc2ccccn2)cc1F ZINC000186690291 1140217315 /nfs/dbraw/zinc/21/73/15/1140217315.db2.gz YZCRUNDXLDQPBU-INIZCTEOSA-N 1 2 341.430 3.824 20 30 EHEDLO COc1ccc(C[C@H](C)C[N@@H+](CCC#N)Cc2ccccn2)cc1F ZINC000186690291 1140217319 /nfs/dbraw/zinc/21/73/19/1140217319.db2.gz YZCRUNDXLDQPBU-INIZCTEOSA-N 1 2 341.430 3.824 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000192470480 1140534411 /nfs/dbraw/zinc/53/44/11/1140534411.db2.gz YCZNIRWLWMLPBK-UHFFFAOYSA-N 1 2 340.373 3.931 20 30 EHEDLO C=CCNC(=O)C[N@@H+](CCC)[C@@H](C)c1ccccc1Br ZINC000052134864 214119827 /nfs/dbraw/zinc/11/98/27/214119827.db2.gz UBCDBFUUJAUNIF-ZDUSSCGKSA-N 1 2 339.277 3.524 20 30 EHEDLO C=CCNC(=O)C[N@H+](CCC)[C@@H](C)c1ccccc1Br ZINC000052134864 214119834 /nfs/dbraw/zinc/11/98/34/214119834.db2.gz UBCDBFUUJAUNIF-ZDUSSCGKSA-N 1 2 339.277 3.524 20 30 EHEDLO N#CCC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000153464361 1125496102 /nfs/dbraw/zinc/49/61/02/1125496102.db2.gz PWRCYUDVAIJWQB-HXUWFJFHSA-N 1 2 344.418 3.706 20 30 EHEDLO C=C[C@@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000340040814 1016157426 /nfs/dbraw/zinc/15/74/26/1016157426.db2.gz QGUVECSYXQXHLV-SFHVURJKSA-N 1 2 345.446 3.908 20 30 EHEDLO C=C[C@H](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000340040813 1016158263 /nfs/dbraw/zinc/15/82/63/1016158263.db2.gz QGUVECSYXQXHLV-GOSISDBHSA-N 1 2 345.446 3.908 20 30 EHEDLO FC[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccn2)C[C@H]1C(F)(F)F ZINC001140104086 1016753388 /nfs/dbraw/zinc/75/33/88/1016753388.db2.gz BZNOUAXCLDQQKR-LDYMZIIASA-N 1 2 330.247 3.680 20 30 EHEDLO FC[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccn2)C[C@H]1C(F)(F)F ZINC001140104086 1016753392 /nfs/dbraw/zinc/75/33/92/1016753392.db2.gz BZNOUAXCLDQQKR-LDYMZIIASA-N 1 2 330.247 3.680 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(N(CC)CC)s1 ZINC000348632896 1016961443 /nfs/dbraw/zinc/96/14/43/1016961443.db2.gz IVBRJSOAAYZKLU-UHFFFAOYSA-N 1 2 349.500 3.653 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(N(CC)CC)s1 ZINC000348632896 1016961460 /nfs/dbraw/zinc/96/14/60/1016961460.db2.gz IVBRJSOAAYZKLU-UHFFFAOYSA-N 1 2 349.500 3.653 20 30 EHEDLO CC(C)(CC#N)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000459458081 1032160096 /nfs/dbraw/zinc/16/00/96/1032160096.db2.gz GVMFVLVUEZIESZ-UHFFFAOYSA-N 1 2 349.438 3.663 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000162210078 1032480745 /nfs/dbraw/zinc/48/07/45/1032480745.db2.gz KLZQNDDNOYRUPN-HUUCEWRRSA-N 1 2 343.500 3.740 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000162210078 1032480749 /nfs/dbraw/zinc/48/07/49/1032480749.db2.gz KLZQNDDNOYRUPN-HUUCEWRRSA-N 1 2 343.500 3.740 20 30 EHEDLO CC(C)C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C(C)C)n1cc[nH+]c1 ZINC000602086182 1032632630 /nfs/dbraw/zinc/63/26/30/1032632630.db2.gz QTDMNBTZTXOMEN-IBGZPJMESA-N 1 2 338.455 3.779 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)c2cc(C#N)c3ccccc3n2)c1C ZINC000433776320 1019598140 /nfs/dbraw/zinc/59/81/40/1019598140.db2.gz WBAMIPRBDZWCFM-UHFFFAOYSA-N 1 2 332.407 3.763 20 30 EHEDLO C=CCSc1ccccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345440235 1020254276 /nfs/dbraw/zinc/25/42/76/1020254276.db2.gz PRJICYAUTOUZSC-MRXNPFEDSA-N 1 2 340.448 3.653 20 30 EHEDLO Cc1ccc([N+](=O)[O-])cc1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783835687 1032914531 /nfs/dbraw/zinc/91/45/31/1032914531.db2.gz PDKJDBSNGOTLHD-UHFFFAOYSA-N 1 2 327.369 3.596 20 30 EHEDLO CC[N@@H+](Cc1cccc(C#N)c1F)Cc1ccc(OC)cc1OC ZINC000340934851 1020650142 /nfs/dbraw/zinc/65/01/42/1020650142.db2.gz CPBMCEWQPYURAY-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO CC[N@H+](Cc1cccc(C#N)c1F)Cc1ccc(OC)cc1OC ZINC000340934851 1020650146 /nfs/dbraw/zinc/65/01/46/1020650146.db2.gz CPBMCEWQPYURAY-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO CCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1[N+](=O)[O-] ZINC000255294876 1020721752 /nfs/dbraw/zinc/72/17/52/1020721752.db2.gz QMFOCSRQPSHAPN-FPLPWBNLSA-N 1 2 337.335 3.537 20 30 EHEDLO O[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000353682705 1021274405 /nfs/dbraw/zinc/27/44/05/1021274405.db2.gz DJMJSBNRAPLQDH-GFCCVEGCSA-N 1 2 345.258 3.734 20 30 EHEDLO O[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000353682705 1021274418 /nfs/dbraw/zinc/27/44/18/1021274418.db2.gz DJMJSBNRAPLQDH-GFCCVEGCSA-N 1 2 345.258 3.734 20 30 EHEDLO CCCCCCCCC(=O)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001270163869 1021513064 /nfs/dbraw/zinc/51/30/64/1021513064.db2.gz LAELWYOVOGPYAO-UHFFFAOYSA-N 1 2 349.544 3.846 20 30 EHEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000506027754 1021722852 /nfs/dbraw/zinc/72/28/52/1021722852.db2.gz OFXRTVQBPWCGCH-UHFFFAOYSA-N 1 2 347.462 3.842 20 30 EHEDLO O[C@H]([C@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1)C(F)(F)F ZINC000449673515 1033014454 /nfs/dbraw/zinc/01/44/54/1033014454.db2.gz OZLRPNMPDPZABI-QPUJVOFHSA-N 1 2 345.258 3.590 20 30 EHEDLO O[C@H]([C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1)C(F)(F)F ZINC000449673515 1033014465 /nfs/dbraw/zinc/01/44/65/1033014465.db2.gz OZLRPNMPDPZABI-QPUJVOFHSA-N 1 2 345.258 3.590 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnn(C2CCC2)c1 ZINC000894417966 1022248037 /nfs/dbraw/zinc/24/80/37/1022248037.db2.gz XTDIHCWANKXKHX-UHFFFAOYSA-N 1 2 327.476 3.964 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnn(C2CCC2)c1 ZINC000894417966 1022248042 /nfs/dbraw/zinc/24/80/42/1022248042.db2.gz XTDIHCWANKXKHX-UHFFFAOYSA-N 1 2 327.476 3.964 20 30 EHEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328664176 1022458185 /nfs/dbraw/zinc/45/81/85/1022458185.db2.gz BJOFCMVFASPMMQ-MLHJIOFPSA-N 1 2 342.487 3.523 20 30 EHEDLO O=C(N[C@@H]1CCOc2c(Cl)cccc21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328948169 1022540504 /nfs/dbraw/zinc/54/05/04/1022540504.db2.gz KMCBECZZKNMZQB-IAQYHMDHSA-N 1 2 331.803 3.579 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000330508380 1022593175 /nfs/dbraw/zinc/59/31/75/1022593175.db2.gz OKGJZFAQGCMQIY-WMZOPIPTSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000330508380 1022593185 /nfs/dbraw/zinc/59/31/85/1022593185.db2.gz OKGJZFAQGCMQIY-WMZOPIPTSA-N 1 2 333.863 3.531 20 30 EHEDLO CCc1cc(C)cc(CC)c1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000331251764 1022780170 /nfs/dbraw/zinc/78/01/70/1022780170.db2.gz TXLUTMVLWSFMTL-HZPDHXFCSA-N 1 2 347.503 3.555 20 30 EHEDLO C=CC[N@H+](Cc1cnn(C2CCC2)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000891840917 1023019813 /nfs/dbraw/zinc/01/98/13/1023019813.db2.gz XBXRRMMFNYSPJU-UHFFFAOYSA-N 1 2 326.400 3.705 20 30 EHEDLO C=CC[N@@H+](Cc1cnn(C2CCC2)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000891840917 1023019821 /nfs/dbraw/zinc/01/98/21/1023019821.db2.gz XBXRRMMFNYSPJU-UHFFFAOYSA-N 1 2 326.400 3.705 20 30 EHEDLO C[C@H](c1ccccc1F)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000507175840 1023162025 /nfs/dbraw/zinc/16/20/25/1023162025.db2.gz ADVRKBCJQQJCHM-CQSZACIVSA-N 1 2 327.378 3.720 20 30 EHEDLO CSCC[C@H](C)[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091073001 1023754580 /nfs/dbraw/zinc/75/45/80/1023754580.db2.gz IAICSFRLIYSFIP-AWEZNQCLSA-N 1 2 328.485 3.626 20 30 EHEDLO CSCC[C@H](C)[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091073001 1023754585 /nfs/dbraw/zinc/75/45/85/1023754585.db2.gz IAICSFRLIYSFIP-AWEZNQCLSA-N 1 2 328.485 3.626 20 30 EHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459103100 1023981326 /nfs/dbraw/zinc/98/13/26/1023981326.db2.gz BFMQRIMGXZXCGS-UHFFFAOYSA-N 1 2 339.439 3.605 20 30 EHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1C[C@]12CCOC2 ZINC000329661706 1024017562 /nfs/dbraw/zinc/01/75/62/1024017562.db2.gz OOOJGGBXHJSRIO-JXFKEZNVSA-N 1 2 335.407 3.616 20 30 EHEDLO CO[C@](C)(C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CC1 ZINC000329753957 1024178726 /nfs/dbraw/zinc/17/87/26/1024178726.db2.gz XCQBNWFPXWHUJH-KRWDZBQOSA-N 1 2 337.489 3.778 20 30 EHEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329784578 1024193042 /nfs/dbraw/zinc/19/30/42/1024193042.db2.gz PIYUBFKSYFMTLS-CLWVCHIJSA-N 1 2 338.883 3.707 20 30 EHEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329784578 1024193047 /nfs/dbraw/zinc/19/30/47/1024193047.db2.gz PIYUBFKSYFMTLS-CLWVCHIJSA-N 1 2 338.883 3.707 20 30 EHEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329983354 1024275254 /nfs/dbraw/zinc/27/52/54/1024275254.db2.gz BCIFKWARVYVBNS-GVDBMIGSSA-N 1 2 326.444 3.697 20 30 EHEDLO C[N@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000026331460 1033203806 /nfs/dbraw/zinc/20/38/06/1033203806.db2.gz GSPFUNWNXZHGSE-UHFFFAOYSA-N 1 2 329.403 3.782 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000026331460 1033203816 /nfs/dbraw/zinc/20/38/16/1033203816.db2.gz GSPFUNWNXZHGSE-UHFFFAOYSA-N 1 2 329.403 3.782 20 30 EHEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000602860374 1033211827 /nfs/dbraw/zinc/21/18/27/1033211827.db2.gz CUSCIZSFCYWTIA-CRAIPNDOSA-N 1 2 327.472 3.539 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000435026063 1024567026 /nfs/dbraw/zinc/56/70/26/1024567026.db2.gz GMCXJSWNOMZYIY-NDXORKPFSA-N 1 2 348.446 3.898 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000435026063 1024567036 /nfs/dbraw/zinc/56/70/36/1024567036.db2.gz GMCXJSWNOMZYIY-NDXORKPFSA-N 1 2 348.446 3.898 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000346280612 1024596762 /nfs/dbraw/zinc/59/67/62/1024596762.db2.gz SLGTZTYHLNDXCH-ZDUSSCGKSA-N 1 2 345.424 3.672 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000346280612 1024596776 /nfs/dbraw/zinc/59/67/76/1024596776.db2.gz SLGTZTYHLNDXCH-ZDUSSCGKSA-N 1 2 345.424 3.672 20 30 EHEDLO C=CCCCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435338003 1024810385 /nfs/dbraw/zinc/81/03/85/1024810385.db2.gz XXPSWUPRMVYQNC-UHFFFAOYSA-N 1 2 331.847 3.922 20 30 EHEDLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000895836075 1024902886 /nfs/dbraw/zinc/90/28/86/1024902886.db2.gz JBXLVSBXHBMXOK-LBPRGKRZSA-N 1 2 345.258 3.591 20 30 EHEDLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000895836075 1024902891 /nfs/dbraw/zinc/90/28/91/1024902891.db2.gz JBXLVSBXHBMXOK-LBPRGKRZSA-N 1 2 345.258 3.591 20 30 EHEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000582071151 1025173832 /nfs/dbraw/zinc/17/38/32/1025173832.db2.gz JGAHZFFODGDYAJ-RISCZKNCSA-N 1 2 346.431 3.558 20 30 EHEDLO CCO[C@@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000347045141 1025460642 /nfs/dbraw/zinc/46/06/42/1025460642.db2.gz ZIIMCWWNPQHOIX-HNNXBMFYSA-N 1 2 342.443 3.697 20 30 EHEDLO CCO[C@@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000347045141 1025460647 /nfs/dbraw/zinc/46/06/47/1025460647.db2.gz ZIIMCWWNPQHOIX-HNNXBMFYSA-N 1 2 342.443 3.697 20 30 EHEDLO C#Cc1cncc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000896559818 1025589322 /nfs/dbraw/zinc/58/93/22/1025589322.db2.gz JJZWTPCLHHWNLT-GOSISDBHSA-N 1 2 348.381 3.589 20 30 EHEDLO C#Cc1cncc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000896559818 1025589331 /nfs/dbraw/zinc/58/93/31/1025589331.db2.gz JJZWTPCLHHWNLT-GOSISDBHSA-N 1 2 348.381 3.589 20 30 EHEDLO CC[C@@H]1C[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC(=O)N1 ZINC000329546191 1025981678 /nfs/dbraw/zinc/98/16/78/1025981678.db2.gz IBDKGEOMVSGTGT-JKSUJKDBSA-N 1 2 344.459 3.674 20 30 EHEDLO C[N@H+](Cc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000516197377 1026109014 /nfs/dbraw/zinc/10/90/14/1026109014.db2.gz FYEFYAWZENLKOQ-MSOLQXFVSA-N 1 2 347.245 3.955 20 30 EHEDLO C[N@@H+](Cc1ccccc1C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000516197377 1026109023 /nfs/dbraw/zinc/10/90/23/1026109023.db2.gz FYEFYAWZENLKOQ-MSOLQXFVSA-N 1 2 347.245 3.955 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000158243795 1026152770 /nfs/dbraw/zinc/15/27/70/1026152770.db2.gz KZUNQUDESRXPTE-QGZVFWFLSA-N 1 2 330.428 3.940 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000158243795 1026152773 /nfs/dbraw/zinc/15/27/73/1026152773.db2.gz KZUNQUDESRXPTE-QGZVFWFLSA-N 1 2 330.428 3.940 20 30 EHEDLO C=CCOc1ccccc1C(=O)N(C)CCCc1[nH+]ccn1CCC ZINC000277652124 1026443247 /nfs/dbraw/zinc/44/32/47/1026443247.db2.gz UNXXEHZYKIQXSM-UHFFFAOYSA-N 1 2 341.455 3.563 20 30 EHEDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc(C#N)cc2Cl)c1 ZINC000452052249 1026445785 /nfs/dbraw/zinc/44/57/85/1026445785.db2.gz ZRARJKJBYOHKMC-UHFFFAOYSA-N 1 2 344.842 3.605 20 30 EHEDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2Cl)c1 ZINC000452052249 1026445790 /nfs/dbraw/zinc/44/57/90/1026445790.db2.gz ZRARJKJBYOHKMC-UHFFFAOYSA-N 1 2 344.842 3.605 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2cc(C)c(Br)s2)CC1 ZINC000342836225 1027546811 /nfs/dbraw/zinc/54/68/11/1027546811.db2.gz IEUXFONCZMGBDZ-UHFFFAOYSA-N 1 2 343.290 3.571 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000342836208 1027548696 /nfs/dbraw/zinc/54/86/96/1027548696.db2.gz ICSIYPZSJNXYHH-UHFFFAOYSA-N 1 2 330.325 3.597 20 30 EHEDLO Cc1cccn2c(/C=C/C(=O)c3ncc(Br)s3)c[nH+]c12 ZINC000179092665 1027645732 /nfs/dbraw/zinc/64/57/32/1027645732.db2.gz KOHSAZPZYZTYIS-SNAWJCMRSA-N 1 2 348.225 3.758 20 30 EHEDLO N#Cc1c(Cl)nc(Cl)c(NCc2cc[nH+]c(N)c2)c1Cl ZINC001167617395 1027714999 /nfs/dbraw/zinc/71/49/99/1027714999.db2.gz PJUMYROXGFALKU-UHFFFAOYSA-N 1 2 328.590 3.503 20 30 EHEDLO C[Si](C)(C)C#Cc1cc(Cl)cnc1NCc1cc[nH+]c(N)c1 ZINC001167617516 1027733691 /nfs/dbraw/zinc/73/36/91/1027733691.db2.gz RUEGGDJCUHDPTA-UHFFFAOYSA-N 1 2 330.895 3.553 20 30 EHEDLO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C#N)cc3)co2)cc1 ZINC000046530379 1027764578 /nfs/dbraw/zinc/76/45/78/1027764578.db2.gz FZJOMYBGVYLSPQ-UHFFFAOYSA-N 1 2 333.391 3.854 20 30 EHEDLO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)co2)cc1 ZINC000046530379 1027764597 /nfs/dbraw/zinc/76/45/97/1027764597.db2.gz FZJOMYBGVYLSPQ-UHFFFAOYSA-N 1 2 333.391 3.854 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440534443 1028239086 /nfs/dbraw/zinc/23/90/86/1028239086.db2.gz LCZSEAURLWLDHM-LIVBEALHSA-N 1 2 328.431 3.867 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440534443 1028239097 /nfs/dbraw/zinc/23/90/97/1028239097.db2.gz LCZSEAURLWLDHM-LIVBEALHSA-N 1 2 328.431 3.867 20 30 EHEDLO CN(CCC#N)c1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162238647 1028508799 /nfs/dbraw/zinc/50/87/99/1028508799.db2.gz LCBFQQJJHMFLMB-UHFFFAOYSA-N 1 2 349.438 3.726 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000072938972 1028529643 /nfs/dbraw/zinc/52/96/43/1028529643.db2.gz XLBURDGTTGRJNW-UHFFFAOYSA-N 1 2 327.453 3.731 20 30 EHEDLO C=CCCc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000505051698 1029176312 /nfs/dbraw/zinc/17/63/12/1029176312.db2.gz LOJOKOSMHNTRAP-UHFFFAOYSA-N 1 2 336.439 3.554 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424758949 1029313780 /nfs/dbraw/zinc/31/37/80/1029313780.db2.gz CBWWJKJEYHZCGU-JKSUJKDBSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424758949 1029313795 /nfs/dbraw/zinc/31/37/95/1029313795.db2.gz CBWWJKJEYHZCGU-JKSUJKDBSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CC[C@H](CC)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000454903480 1029453928 /nfs/dbraw/zinc/45/39/28/1029453928.db2.gz DODYBMMZPXURHR-ZDUSSCGKSA-N 1 2 332.835 3.680 20 30 EHEDLO CCc1cccc(CC)c1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323527 1029639775 /nfs/dbraw/zinc/63/97/75/1029639775.db2.gz ZWHHQKGQIOYTAL-UHFFFAOYSA-N 1 2 335.451 3.754 20 30 EHEDLO CCc1cccc(CC)c1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323527 1029639782 /nfs/dbraw/zinc/63/97/82/1029639782.db2.gz ZWHHQKGQIOYTAL-UHFFFAOYSA-N 1 2 335.451 3.754 20 30 EHEDLO C=CCc1cc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc(OC)c1O ZINC000447064188 1029899825 /nfs/dbraw/zinc/89/98/25/1029899825.db2.gz UZCITWZJJVACOU-UHFFFAOYSA-N 1 2 343.471 3.782 20 30 EHEDLO C=CCc1cc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc(OC)c1O ZINC000447064188 1029899850 /nfs/dbraw/zinc/89/98/50/1029899850.db2.gz UZCITWZJJVACOU-UHFFFAOYSA-N 1 2 343.471 3.782 20 30 EHEDLO C=CCOc1ccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000058383482 1029975228 /nfs/dbraw/zinc/97/52/28/1029975228.db2.gz XKJAVRJJFGCDAR-UHFFFAOYSA-N 1 2 349.390 3.698 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000532153546 1030442180 /nfs/dbraw/zinc/44/21/80/1030442180.db2.gz VYPNIWCTXRGUEB-FXAWDEMLSA-N 1 2 339.483 3.583 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000532153546 1030442194 /nfs/dbraw/zinc/44/21/94/1030442194.db2.gz VYPNIWCTXRGUEB-FXAWDEMLSA-N 1 2 339.483 3.583 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000237513186 1030554317 /nfs/dbraw/zinc/55/43/17/1030554317.db2.gz HPADPUYSRFQTCF-CQSZACIVSA-N 1 2 327.428 3.620 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457528 1030616587 /nfs/dbraw/zinc/61/65/87/1030616587.db2.gz CDXCCXSKKMBPEW-FQEVSTJZSA-N 1 2 325.408 3.531 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000093457528 1030616605 /nfs/dbraw/zinc/61/66/05/1030616605.db2.gz CDXCCXSKKMBPEW-FQEVSTJZSA-N 1 2 325.408 3.531 20 30 EHEDLO COc1cc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)ccc1C#N ZINC000583782674 1030735757 /nfs/dbraw/zinc/73/57/57/1030735757.db2.gz WYCOZKSQASTQST-KRWDZBQOSA-N 1 2 330.378 3.923 20 30 EHEDLO CC1=C(C)C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000483337053 1031110898 /nfs/dbraw/zinc/11/08/98/1031110898.db2.gz IOLUMBSSAJPDFY-AWEZNQCLSA-N 1 2 343.496 3.919 20 30 EHEDLO CC1=C(C)C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000483337053 1031110906 /nfs/dbraw/zinc/11/09/06/1031110906.db2.gz IOLUMBSSAJPDFY-AWEZNQCLSA-N 1 2 343.496 3.919 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000023260816 1031856675 /nfs/dbraw/zinc/85/66/75/1031856675.db2.gz OVEQSDCIXLAULB-UHFFFAOYSA-N 1 2 331.872 3.591 20 30 EHEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c1 ZINC000347347013 1031930392 /nfs/dbraw/zinc/93/03/92/1031930392.db2.gz QVJDXIIHUKNFRG-NVXWUHKLSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c1 ZINC000347347013 1031930407 /nfs/dbraw/zinc/93/04/07/1031930407.db2.gz QVJDXIIHUKNFRG-NVXWUHKLSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cncc(Cl)c3)CC2)c(F)c1 ZINC000598615524 1033329458 /nfs/dbraw/zinc/32/94/58/1033329458.db2.gz CHFQAEVQSUIONZ-UHFFFAOYSA-N 1 2 345.805 3.789 20 30 EHEDLO C[C@@H]([NH2+][C@H](C(F)F)C1CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000598651102 1033366850 /nfs/dbraw/zinc/36/68/50/1033366850.db2.gz WELSPMKSWAYLSM-HIFRSBDPSA-N 1 2 341.446 3.521 20 30 EHEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000898219619 1033375890 /nfs/dbraw/zinc/37/58/90/1033375890.db2.gz IGMGAOFCWNBRNT-UHFFFAOYSA-N 1 2 329.831 3.685 20 30 EHEDLO C=CCc1cc(OC)cc(C[N@H+](CC(F)F)CC2CCC2)c1O ZINC000761290186 1033521487 /nfs/dbraw/zinc/52/14/87/1033521487.db2.gz ISXSXXVABGJVGB-UHFFFAOYSA-N 1 2 325.399 3.997 20 30 EHEDLO C=CCc1cc(OC)cc(C[N@@H+](CC(F)F)CC2CCC2)c1O ZINC000761290186 1033521495 /nfs/dbraw/zinc/52/14/95/1033521495.db2.gz ISXSXXVABGJVGB-UHFFFAOYSA-N 1 2 325.399 3.997 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(OC)cc1 ZINC000059423207 1033660490 /nfs/dbraw/zinc/66/04/90/1033660490.db2.gz RZOKGTUPYKAQIJ-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1)Cc1ccc(OC)cc1 ZINC000059423207 1033660504 /nfs/dbraw/zinc/66/05/04/1033660504.db2.gz RZOKGTUPYKAQIJ-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000603497638 1033700131 /nfs/dbraw/zinc/70/01/31/1033700131.db2.gz ZYCKOCDIXRHYMO-GOSISDBHSA-N 1 2 339.826 3.987 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000603497638 1033700143 /nfs/dbraw/zinc/70/01/43/1033700143.db2.gz ZYCKOCDIXRHYMO-GOSISDBHSA-N 1 2 339.826 3.987 20 30 EHEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N)c(C(C)C)cc1Cl ZINC000608784812 1033888114 /nfs/dbraw/zinc/88/81/14/1033888114.db2.gz VHPYYHJLLXTHOG-ZFWWWQNUSA-N 1 2 338.879 3.603 20 30 EHEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)c(C(C)C)cc1Cl ZINC000608784812 1033888131 /nfs/dbraw/zinc/88/81/31/1033888131.db2.gz VHPYYHJLLXTHOG-ZFWWWQNUSA-N 1 2 338.879 3.603 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000595609760 1033921223 /nfs/dbraw/zinc/92/12/23/1033921223.db2.gz ORKRSCUUAGPDGW-ZDUSSCGKSA-N 1 2 342.468 3.803 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000595609760 1033921228 /nfs/dbraw/zinc/92/12/28/1033921228.db2.gz ORKRSCUUAGPDGW-ZDUSSCGKSA-N 1 2 342.468 3.803 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000595713869 1033957886 /nfs/dbraw/zinc/95/78/86/1033957886.db2.gz RXRMIOGFRMRWFP-OAHLLOKOSA-N 1 2 346.356 3.747 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000595713869 1033957904 /nfs/dbraw/zinc/95/79/04/1033957904.db2.gz RXRMIOGFRMRWFP-OAHLLOKOSA-N 1 2 346.356 3.747 20 30 EHEDLO C[N@H+](CC1(C#N)CCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000450287868 1034028661 /nfs/dbraw/zinc/02/86/61/1034028661.db2.gz RRJIQCUUAZGQHN-HUUCEWRRSA-N 1 2 325.239 3.577 20 30 EHEDLO C[N@@H+](CC1(C#N)CCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000450287868 1034028676 /nfs/dbraw/zinc/02/86/76/1034028676.db2.gz RRJIQCUUAZGQHN-HUUCEWRRSA-N 1 2 325.239 3.577 20 30 EHEDLO N#CC1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450288426 1034031026 /nfs/dbraw/zinc/03/10/26/1034031026.db2.gz MIXAWXVRFNRPBD-UHFFFAOYSA-N 1 2 334.192 3.876 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057907850 1034261445 /nfs/dbraw/zinc/26/14/45/1034261445.db2.gz HXHKHEQPVWPTBS-INIZCTEOSA-N 1 2 333.435 3.916 20 30 EHEDLO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C#N)CC2)cc1 ZINC000057907674 1034261490 /nfs/dbraw/zinc/26/14/90/1034261490.db2.gz NFNFYJDRJWALNL-HXUWFJFHSA-N 1 2 333.435 3.910 20 30 EHEDLO CC[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc(C#N)c1O ZINC000924550010 1035073711 /nfs/dbraw/zinc/07/37/11/1035073711.db2.gz PCKYEQCZVCSLEZ-HOTGVXAUSA-N 1 2 329.469 3.669 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(Cl)cc1F ZINC000491231714 1035744283 /nfs/dbraw/zinc/74/42/83/1035744283.db2.gz VSPQLEAJTNJAHQ-INIZCTEOSA-N 1 2 327.790 3.830 20 30 EHEDLO CC[C@H](C)Oc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1OC ZINC000613443212 1035877258 /nfs/dbraw/zinc/87/72/58/1035877258.db2.gz FFUCBJIWZCKAHS-AWEZNQCLSA-N 1 2 325.412 3.946 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@H+](C)CCc2nccs2)c1=S ZINC000157111942 1036505516 /nfs/dbraw/zinc/50/55/16/1036505516.db2.gz MYIZRVSQGINHOZ-UHFFFAOYSA-N 1 2 344.509 3.947 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@@H+](C)CCc2nccs2)c1=S ZINC000157111942 1036505531 /nfs/dbraw/zinc/50/55/31/1036505531.db2.gz MYIZRVSQGINHOZ-UHFFFAOYSA-N 1 2 344.509 3.947 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755332 1036569387 /nfs/dbraw/zinc/56/93/87/1036569387.db2.gz KYYZHHOGZXGFHG-GFCCVEGCSA-N 1 2 325.225 3.892 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755332 1036569410 /nfs/dbraw/zinc/56/94/10/1036569410.db2.gz KYYZHHOGZXGFHG-GFCCVEGCSA-N 1 2 325.225 3.892 20 30 EHEDLO COc1ccccc1[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccccn1 ZINC000089796749 1036664914 /nfs/dbraw/zinc/66/49/14/1036664914.db2.gz CPRJUMWGLUVMBC-NRFANRHFSA-N 1 2 329.403 3.841 20 30 EHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000180848254 1037248044 /nfs/dbraw/zinc/24/80/44/1037248044.db2.gz XUVQZKORCJILBO-CYBMUJFWSA-N 1 2 344.821 3.629 20 30 EHEDLO COc1ccc(C[N@H+](Cc2ccncc2C#N)C(C)(C)C)c(OC)c1 ZINC000592075386 1037828477 /nfs/dbraw/zinc/82/84/77/1037828477.db2.gz YIIGZNSVIDOSGX-UHFFFAOYSA-N 1 2 339.439 3.771 20 30 EHEDLO COc1ccc(C[N@@H+](Cc2ccncc2C#N)C(C)(C)C)c(OC)c1 ZINC000592075386 1037828488 /nfs/dbraw/zinc/82/84/88/1037828488.db2.gz YIIGZNSVIDOSGX-UHFFFAOYSA-N 1 2 339.439 3.771 20 30 EHEDLO C=C[C@@H]1CCCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000488310471 1039073383 /nfs/dbraw/zinc/07/33/83/1039073383.db2.gz GMAGQKYYZHMMIU-QFBILLFUSA-N 1 2 343.471 3.652 20 30 EHEDLO O=C(/C=C/c1cnn(CC2CCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000899392830 1040457163 /nfs/dbraw/zinc/45/71/63/1040457163.db2.gz WGTDNFBZBXVAGM-BQYQJAHWSA-N 1 2 332.407 3.765 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2\OCc3cccc(Cl)c3C2=O)s1 ZINC000899434284 1040500315 /nfs/dbraw/zinc/50/03/15/1040500315.db2.gz UNQWCKDBJFQIDH-MLPAPPSSSA-N 1 2 334.828 3.612 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000667541554 1040550184 /nfs/dbraw/zinc/55/01/84/1040550184.db2.gz UFKUMNHEFQEBCO-IBGZPJMESA-N 1 2 333.497 3.519 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000667541554 1040550204 /nfs/dbraw/zinc/55/02/04/1040550204.db2.gz UFKUMNHEFQEBCO-IBGZPJMESA-N 1 2 333.497 3.519 20 30 EHEDLO C=CCN(CC(F)(F)F)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000667547595 1040579784 /nfs/dbraw/zinc/57/97/84/1040579784.db2.gz QRPDWXPVEFHNIO-CQSZACIVSA-N 1 2 337.345 3.509 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)o2)cc1 ZINC000614247813 1040826642 /nfs/dbraw/zinc/82/66/42/1040826642.db2.gz CQKQLJJPQYNBRR-FQEVSTJZSA-N 1 2 338.407 3.859 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)o2)cc1 ZINC000614247813 1040826654 /nfs/dbraw/zinc/82/66/54/1040826654.db2.gz CQKQLJJPQYNBRR-FQEVSTJZSA-N 1 2 338.407 3.859 20 30 EHEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000555759848 1041100505 /nfs/dbraw/zinc/10/05/05/1041100505.db2.gz UQIZWPLONOQPAU-KRWDZBQOSA-N 1 2 336.435 3.548 20 30 EHEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000555759848 1041100515 /nfs/dbraw/zinc/10/05/15/1041100515.db2.gz UQIZWPLONOQPAU-KRWDZBQOSA-N 1 2 336.435 3.548 20 30 EHEDLO N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000433315017 1041259591 /nfs/dbraw/zinc/25/95/91/1041259591.db2.gz ASKSHMRHHYFEBX-QGZVFWFLSA-N 1 2 330.391 3.583 20 30 EHEDLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066847896 1041356532 /nfs/dbraw/zinc/35/65/32/1041356532.db2.gz OVKNCGKWLDEIOF-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1ccc(OCCC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000066847896 1041356542 /nfs/dbraw/zinc/35/65/42/1041356542.db2.gz OVKNCGKWLDEIOF-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO Cc1cc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)no1 ZINC000066905444 1042276550 /nfs/dbraw/zinc/27/65/50/1042276550.db2.gz OPEPCVGEKUBWLG-UHFFFAOYSA-N 1 2 333.391 3.724 20 30 EHEDLO N#Cc1c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn2ccccc12 ZINC000343924534 1042844864 /nfs/dbraw/zinc/84/48/64/1042844864.db2.gz HNFYANGCLMHXSM-UHFFFAOYSA-N 1 2 346.390 3.884 20 30 EHEDLO N#Cc1c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn2ccccc12 ZINC000343924534 1042844869 /nfs/dbraw/zinc/84/48/69/1042844869.db2.gz HNFYANGCLMHXSM-UHFFFAOYSA-N 1 2 346.390 3.884 20 30 EHEDLO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccc([S@](C)=O)cc1 ZINC000154637897 1125739900 /nfs/dbraw/zinc/73/99/00/1125739900.db2.gz RUZVPIARYTZQHC-JOCHJYFZSA-N 1 2 331.868 3.561 20 30 EHEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccc([S@](C)=O)cc1 ZINC000154637897 1125739906 /nfs/dbraw/zinc/73/99/06/1125739906.db2.gz RUZVPIARYTZQHC-JOCHJYFZSA-N 1 2 331.868 3.561 20 30 EHEDLO N#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1Cl ZINC000172123834 1126781800 /nfs/dbraw/zinc/78/18/00/1126781800.db2.gz DHGYIORXENWZFL-KRWDZBQOSA-N 1 2 336.782 3.520 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000183107560 1127363365 /nfs/dbraw/zinc/36/33/65/1127363365.db2.gz CWEUTWCNPVLFNI-INIZCTEOSA-N 1 2 342.443 3.828 20 30 EHEDLO N#CC1(c2ccc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC000183100027 1127362938 /nfs/dbraw/zinc/36/29/38/1127362938.db2.gz YYONZEHIGOUSAZ-UHFFFAOYSA-N 1 2 328.375 3.680 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000764866789 1127545148 /nfs/dbraw/zinc/54/51/48/1127545148.db2.gz VZGQMQCGPXEWCB-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000764866789 1127545149 /nfs/dbraw/zinc/54/51/49/1127545149.db2.gz VZGQMQCGPXEWCB-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000765012153 1127562992 /nfs/dbraw/zinc/56/29/92/1127562992.db2.gz WTENIGVVYPMPEJ-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000765012153 1127562994 /nfs/dbraw/zinc/56/29/94/1127562994.db2.gz WTENIGVVYPMPEJ-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765050139 1127566952 /nfs/dbraw/zinc/56/69/52/1127566952.db2.gz VDVKAPCDACQZSU-GASCZTMLSA-N 1 2 343.500 3.597 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000765050139 1127566954 /nfs/dbraw/zinc/56/69/54/1127566954.db2.gz VDVKAPCDACQZSU-GASCZTMLSA-N 1 2 343.500 3.597 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765032508 1127565206 /nfs/dbraw/zinc/56/52/06/1127565206.db2.gz WGGVXCKTKDMSQW-HUUCEWRRSA-N 1 2 343.500 3.740 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000765032508 1127565210 /nfs/dbraw/zinc/56/52/10/1127565210.db2.gz WGGVXCKTKDMSQW-HUUCEWRRSA-N 1 2 343.500 3.740 20 30 EHEDLO N#Cc1cccc(C(F)(F)F)c1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212363009 1128009412 /nfs/dbraw/zinc/00/94/12/1128009412.db2.gz ZSBNXXFCKZAVNT-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)n(C)c1)Cc1ccc(Cl)s1 ZINC000347650282 1128512641 /nfs/dbraw/zinc/51/26/41/1128512641.db2.gz JLCUVFNMOLMKMU-UHFFFAOYSA-N 1 2 338.860 3.715 20 30 EHEDLO C=CC[N@H+](Cc1cc(C(=O)OC)n(C)c1)Cc1ccc(Cl)s1 ZINC000347650282 1128512645 /nfs/dbraw/zinc/51/26/45/1128512645.db2.gz JLCUVFNMOLMKMU-UHFFFAOYSA-N 1 2 338.860 3.715 20 30 EHEDLO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000301169622 1128576570 /nfs/dbraw/zinc/57/65/70/1128576570.db2.gz DRRFSRKAAHSZIA-CQSZACIVSA-N 1 2 327.378 3.720 20 30 EHEDLO N#Cc1cnc2ccc(Cl)cc2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301789060 1128605325 /nfs/dbraw/zinc/60/53/25/1128605325.db2.gz XZPMOYYYSSYLMF-HNNXBMFYSA-N 1 2 349.825 3.846 20 30 EHEDLO N#Cc1cc2c(nc1NCc1ccccc1-n1cc[nH+]c1)CCCC2 ZINC000302665233 1128640706 /nfs/dbraw/zinc/64/07/06/1128640706.db2.gz MKBVQXYEPRCYFL-UHFFFAOYSA-N 1 2 329.407 3.630 20 30 EHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000305063943 1128764837 /nfs/dbraw/zinc/76/48/37/1128764837.db2.gz QTMFETIYOXZEQN-HXUWFJFHSA-N 1 2 342.389 3.782 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000185522854 1120417974 /nfs/dbraw/zinc/41/79/74/1120417974.db2.gz PNHHJHBUVQQUSA-GJZGRUSLSA-N 1 2 336.426 3.648 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000185522854 1120417977 /nfs/dbraw/zinc/41/79/77/1120417977.db2.gz PNHHJHBUVQQUSA-GJZGRUSLSA-N 1 2 336.426 3.648 20 30 EHEDLO CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761763258 1120893516 /nfs/dbraw/zinc/89/35/16/1120893516.db2.gz PUMJVUNWLJMEPX-OAQYLSRUSA-N 1 2 336.435 3.919 20 30 EHEDLO CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761763258 1120893520 /nfs/dbraw/zinc/89/35/20/1120893520.db2.gz PUMJVUNWLJMEPX-OAQYLSRUSA-N 1 2 336.435 3.919 20 30 EHEDLO CC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000193761116 1121621810 /nfs/dbraw/zinc/62/18/10/1121621810.db2.gz YEACNJPYJROEBE-OAHLLOKOSA-N 1 2 349.434 3.782 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000193761116 1121621814 /nfs/dbraw/zinc/62/18/14/1121621814.db2.gz YEACNJPYJROEBE-OAHLLOKOSA-N 1 2 349.434 3.782 20 30 EHEDLO CCCCNc1[nH+]c2ccccc2n1C[C@H](O)c1ccc(C#N)cc1 ZINC000763235442 1121917171 /nfs/dbraw/zinc/91/71/71/1121917171.db2.gz WEMAOAKCAHEUTB-IBGZPJMESA-N 1 2 334.423 3.854 20 30 EHEDLO CC(=NNCc1cc(F)ccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915979740 1122005611 /nfs/dbraw/zinc/00/56/11/1122005611.db2.gz ZXPNWFWEWFSANN-UHFFFAOYSA-N 1 2 326.350 3.664 20 30 EHEDLO CC[N@H+](Cc1cnn(-c2ccccc2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000918739927 1122902849 /nfs/dbraw/zinc/90/28/49/1122902849.db2.gz TYFOMSHKMJEBQT-INIZCTEOSA-N 1 2 331.423 3.722 20 30 EHEDLO CC[N@@H+](Cc1cnn(-c2ccccc2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000918739927 1122902853 /nfs/dbraw/zinc/90/28/53/1122902853.db2.gz TYFOMSHKMJEBQT-INIZCTEOSA-N 1 2 331.423 3.722 20 30 EHEDLO C#CCOc1ccccc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000920489135 1123374893 /nfs/dbraw/zinc/37/48/93/1123374893.db2.gz GQXJHUZNQKMRTN-UHFFFAOYSA-N 1 2 331.419 3.516 20 30 EHEDLO C#CCOc1ccccc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000920489135 1123374895 /nfs/dbraw/zinc/37/48/95/1123374895.db2.gz GQXJHUZNQKMRTN-UHFFFAOYSA-N 1 2 331.419 3.516 20 30 EHEDLO N#CCSc1cccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC000079800918 1123723675 /nfs/dbraw/zinc/72/36/75/1123723675.db2.gz QDVMOWIRDNMUIU-UHFFFAOYSA-N 1 2 334.404 3.945 20 30 EHEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ccccc12)Cc1cccc(C#N)c1 ZINC000068827054 1124034023 /nfs/dbraw/zinc/03/40/23/1124034023.db2.gz JVTMELZCTKWZOV-UHFFFAOYSA-N 1 2 329.403 3.910 20 30 EHEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ccccc12)Cc1cccc(C#N)c1 ZINC000068827054 1124034029 /nfs/dbraw/zinc/03/40/29/1124034029.db2.gz JVTMELZCTKWZOV-UHFFFAOYSA-N 1 2 329.403 3.910 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccsc2C1 ZINC000132595968 1129539376 /nfs/dbraw/zinc/53/93/76/1129539376.db2.gz WYXLEKHZJXVLBQ-LLVKDONJSA-N 1 2 345.855 3.658 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccsc2C1 ZINC000132595968 1129539382 /nfs/dbraw/zinc/53/93/82/1129539382.db2.gz WYXLEKHZJXVLBQ-LLVKDONJSA-N 1 2 345.855 3.658 20 30 EHEDLO CN(CCC#N)c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922527831 1129562435 /nfs/dbraw/zinc/56/24/35/1129562435.db2.gz YNQPFLVKGRUDJR-ICSRJNTNSA-N 1 2 339.414 3.598 20 30 EHEDLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000093458853 1129589052 /nfs/dbraw/zinc/58/90/52/1129589052.db2.gz ZBNCBFGQNCBTQZ-IBGZPJMESA-N 1 2 348.475 3.805 20 30 EHEDLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000093458853 1129589055 /nfs/dbraw/zinc/58/90/55/1129589055.db2.gz ZBNCBFGQNCBTQZ-IBGZPJMESA-N 1 2 348.475 3.805 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000428990279 1129670586 /nfs/dbraw/zinc/67/05/86/1129670586.db2.gz GQVGSEMDTWURDP-INIZCTEOSA-N 1 2 349.272 3.569 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000428990279 1129670587 /nfs/dbraw/zinc/67/05/87/1129670587.db2.gz GQVGSEMDTWURDP-INIZCTEOSA-N 1 2 349.272 3.569 20 30 EHEDLO Clc1nc(N2CCCC2)sc1C=[NH+]NCCCc1ccccc1 ZINC000735971436 1131395502 /nfs/dbraw/zinc/39/55/02/1131395502.db2.gz FFMNCIWMLFELHR-UHFFFAOYSA-N 1 2 348.903 3.953 20 30 EHEDLO COc1cccc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)c1 ZINC000735972822 1131395577 /nfs/dbraw/zinc/39/55/77/1131395577.db2.gz UWBHSIOKNKWLPB-UHFFFAOYSA-N 1 2 336.848 3.851 20 30 EHEDLO CC(C)c1nn(C)c(Cl)c1C=NNc1cc[nH+]c2ccccc12 ZINC000730147384 1130679177 /nfs/dbraw/zinc/67/91/77/1130679177.db2.gz CZCWIOMTGKHVPS-UHFFFAOYSA-N 1 2 327.819 3.613 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC000730274685 1130694187 /nfs/dbraw/zinc/69/41/87/1130694187.db2.gz NLXRBFMRRZTOKC-FQEVSTJZSA-N 1 2 334.419 3.823 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC000730274685 1130694192 /nfs/dbraw/zinc/69/41/92/1130694192.db2.gz NLXRBFMRRZTOKC-FQEVSTJZSA-N 1 2 334.419 3.823 20 30 EHEDLO N#CCOc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000731446204 1130798037 /nfs/dbraw/zinc/79/80/37/1130798037.db2.gz ZCDISFHTPNAPKM-UHFFFAOYSA-N 1 2 332.407 3.514 20 30 EHEDLO N#CCOc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000731446204 1130798041 /nfs/dbraw/zinc/79/80/41/1130798041.db2.gz ZCDISFHTPNAPKM-UHFFFAOYSA-N 1 2 332.407 3.514 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCCCC2)CC1 ZINC000739911690 1131516530 /nfs/dbraw/zinc/51/65/30/1131516530.db2.gz AHJDUCLHVSUFGC-SFHVURJKSA-N 1 2 326.440 3.819 20 30 EHEDLO CCCCCCC[C@H](CCC)[NH2+][C@H](Cc1cncn1C)C(=O)OC ZINC001172507873 1131763783 /nfs/dbraw/zinc/76/37/83/1131763783.db2.gz CHYXCEJRZBHOFI-FUHWJXTLSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCC[C@H](CCC)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172507873 1131763792 /nfs/dbraw/zinc/76/37/92/1131763792.db2.gz CHYXCEJRZBHOFI-FUHWJXTLSA-N 1 2 337.508 3.623 20 30 EHEDLO C#CC[N@@H+](CN1C(=O)[C@H](C)[C@@H]1c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000743353361 1131898959 /nfs/dbraw/zinc/89/89/59/1131898959.db2.gz WPULZLKBPKPHAI-ZPMCFJSWSA-N 1 2 344.458 3.786 20 30 EHEDLO C#CC[N@H+](CN1C(=O)[C@H](C)[C@@H]1c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000743353361 1131898966 /nfs/dbraw/zinc/89/89/66/1131898966.db2.gz WPULZLKBPKPHAI-ZPMCFJSWSA-N 1 2 344.458 3.786 20 30 EHEDLO N#Cc1ncc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C(F)(F)F ZINC001212694330 1131922723 /nfs/dbraw/zinc/92/27/23/1131922723.db2.gz VKAKTQKSEKRSIJ-UHFFFAOYSA-N 1 2 343.312 3.960 20 30 EHEDLO CN(C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000743867012 1131993154 /nfs/dbraw/zinc/99/31/54/1131993154.db2.gz QHZHJHWSXQZNSV-KRWDZBQOSA-N 1 2 347.434 3.529 20 30 EHEDLO CN(C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000743867012 1131993157 /nfs/dbraw/zinc/99/31/57/1131993157.db2.gz QHZHJHWSXQZNSV-KRWDZBQOSA-N 1 2 347.434 3.529 20 30 EHEDLO CCCCCCCCOC(=O)C[NH2+][C@H](C)CCCCC(=O)OC ZINC001173440947 1132069535 /nfs/dbraw/zinc/06/95/35/1132069535.db2.gz KMQLQFZAJWQZFF-MRXNPFEDSA-N 1 2 329.481 3.602 20 30 EHEDLO C=CC[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)C(C)C ZINC000744389095 1132082983 /nfs/dbraw/zinc/08/29/83/1132082983.db2.gz JBRGPRNSXNDQCZ-UHFFFAOYSA-N 1 2 329.469 3.721 20 30 EHEDLO C=CC[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)C(C)C ZINC000744389095 1132082990 /nfs/dbraw/zinc/08/29/90/1132082990.db2.gz JBRGPRNSXNDQCZ-UHFFFAOYSA-N 1 2 329.469 3.721 20 30 EHEDLO CC(C)C[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000745986665 1132344028 /nfs/dbraw/zinc/34/40/28/1132344028.db2.gz OFISYPLBJARVQV-LSDHHAIUSA-N 1 2 341.480 3.841 20 30 EHEDLO CC(C)C[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000745986665 1132344036 /nfs/dbraw/zinc/34/40/36/1132344036.db2.gz OFISYPLBJARVQV-LSDHHAIUSA-N 1 2 341.480 3.841 20 30 EHEDLO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001174897941 1132497591 /nfs/dbraw/zinc/49/75/91/1132497591.db2.gz DGIWINRQNJCUPE-UHFFFAOYSA-N 1 2 329.831 3.864 20 30 EHEDLO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001174897941 1132497595 /nfs/dbraw/zinc/49/75/95/1132497595.db2.gz DGIWINRQNJCUPE-UHFFFAOYSA-N 1 2 329.831 3.864 20 30 EHEDLO CC(C)(C)c1noc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C#N ZINC001175707128 1132754554 /nfs/dbraw/zinc/75/45/54/1132754554.db2.gz WCWYHGNDJKEXEK-UHFFFAOYSA-N 1 2 325.294 3.583 20 30 EHEDLO CC[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001175905955 1132795223 /nfs/dbraw/zinc/79/52/23/1132795223.db2.gz FVLMBWUWTHWAIF-OAQYLSRUSA-N 1 2 337.442 3.966 20 30 EHEDLO COC(=O)c1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000767730774 1133044755 /nfs/dbraw/zinc/04/47/55/1133044755.db2.gz QUECUYYKPNZOOU-FPLPWBNLSA-N 1 2 340.766 3.670 20 30 EHEDLO Cc1cc(Br)cc(C[NH2+][C@@H](C)CC#N)c1OC(F)F ZINC001179479104 1133254442 /nfs/dbraw/zinc/25/44/42/1133254442.db2.gz JFSUOBGJJDVQGC-VIFPVBQESA-N 1 2 333.176 3.751 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)N1CCCC[C@@H]1C#N)c1ccccc1Cl ZINC001182220110 1133599064 /nfs/dbraw/zinc/59/90/64/1133599064.db2.gz IWNWOLDHBOLEMT-RHSMWYFYSA-N 1 2 333.863 3.628 20 30 EHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C(C)(C)C)s2)n1 ZINC000789762000 1134328160 /nfs/dbraw/zinc/32/81/60/1134328160.db2.gz OXQOHQKEWJWGHM-UHFFFAOYSA-N 1 2 345.512 3.524 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C(C)(C)C)s2)n1 ZINC000789762000 1134328167 /nfs/dbraw/zinc/32/81/67/1134328167.db2.gz OXQOHQKEWJWGHM-UHFFFAOYSA-N 1 2 345.512 3.524 20 30 EHEDLO Cc1cn2cc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000790562246 1134435656 /nfs/dbraw/zinc/43/56/56/1134435656.db2.gz VAHISBSTNPTQTK-UHFFFAOYSA-N 1 2 343.308 3.652 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)CCc1ccc(C#N)cc1 ZINC000791306170 1134528436 /nfs/dbraw/zinc/52/84/36/1134528436.db2.gz CQVKQWTUYXRPDS-UHFFFAOYSA-N 1 2 345.402 3.728 20 30 EHEDLO C[C@H](C#N)Oc1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000121366535 1134585395 /nfs/dbraw/zinc/58/53/95/1134585395.db2.gz BESJQFYQVTXTKO-CQSZACIVSA-N 1 2 336.370 3.914 20 30 EHEDLO N#Cc1ccc(Nc2cc(Br)cn3cc[nH+]c23)cc1F ZINC001204036334 1134753350 /nfs/dbraw/zinc/75/33/50/1134753350.db2.gz DAPSPMVZVXMZGJ-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO CC(C)c1cccc2c1CC[N@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC001194042168 1135220408 /nfs/dbraw/zinc/22/04/08/1135220408.db2.gz NCHTVJGXLLVVRB-UHFFFAOYSA-N 1 2 333.435 3.678 20 30 EHEDLO CC(C)c1cccc2c1CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C2 ZINC001194042168 1135220413 /nfs/dbraw/zinc/22/04/13/1135220413.db2.gz NCHTVJGXLLVVRB-UHFFFAOYSA-N 1 2 333.435 3.678 20 30 EHEDLO C=CCCC[C@H](C)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805906887 1135347851 /nfs/dbraw/zinc/34/78/51/1135347851.db2.gz LMMBFAAWBNZTIW-AWEZNQCLSA-N 1 2 336.501 3.952 20 30 EHEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000806449954 1135443882 /nfs/dbraw/zinc/44/38/82/1135443882.db2.gz FOHGEMSTIGJTCU-SFHVURJKSA-N 1 2 330.391 3.636 20 30 EHEDLO N#Cc1cncc(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC001195904267 1135488237 /nfs/dbraw/zinc/48/82/37/1135488237.db2.gz YWQNVZQVNMRXED-UHFFFAOYSA-N 1 2 332.432 3.635 20 30 EHEDLO N#Cc1cncc(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC001195904267 1135488242 /nfs/dbraw/zinc/48/82/42/1135488242.db2.gz YWQNVZQVNMRXED-UHFFFAOYSA-N 1 2 332.432 3.635 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC001196788420 1135609611 /nfs/dbraw/zinc/60/96/11/1135609611.db2.gz ADCQESBZJADAQO-OAQYLSRUSA-N 1 2 328.419 3.687 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC001196788420 1135609612 /nfs/dbraw/zinc/60/96/12/1135609612.db2.gz ADCQESBZJADAQO-OAQYLSRUSA-N 1 2 328.419 3.687 20 30 EHEDLO CCCC[C@H](C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000810126407 1135924428 /nfs/dbraw/zinc/92/44/28/1135924428.db2.gz XCZQRDBHYRWVKK-KBPBESRZSA-N 1 2 329.469 3.983 20 30 EHEDLO CCCC[C@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000810126407 1135924431 /nfs/dbraw/zinc/92/44/31/1135924431.db2.gz XCZQRDBHYRWVKK-KBPBESRZSA-N 1 2 329.469 3.983 20 30 EHEDLO N#Cc1ccc(CC2CCN(C(=O)c3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001152976067 1136124753 /nfs/dbraw/zinc/12/47/53/1136124753.db2.gz AEHRVRKDVGSQLE-UHFFFAOYSA-N 1 2 344.418 3.529 20 30 EHEDLO CCC[N@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000338915806 1136162073 /nfs/dbraw/zinc/16/20/73/1136162073.db2.gz REFCSVICDMABSM-UHFFFAOYSA-N 1 2 331.423 3.551 20 30 EHEDLO CCC[N@@H+](Cc1cn(-c2ccccc2)nn1)Cc1ccc(C#N)cc1 ZINC000338915806 1136162075 /nfs/dbraw/zinc/16/20/75/1136162075.db2.gz REFCSVICDMABSM-UHFFFAOYSA-N 1 2 331.423 3.551 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccc(F)cc1 ZINC000812794002 1136251674 /nfs/dbraw/zinc/25/16/74/1136251674.db2.gz MRBPETWNYVYELW-ACJLOTCBSA-N 1 2 325.383 3.622 20 30 EHEDLO N#CC1(CC(=O)OCC2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000851402523 1136377439 /nfs/dbraw/zinc/37/74/39/1136377439.db2.gz YTMGJGYROPNTGV-UHFFFAOYSA-N 1 2 341.455 3.705 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCSCc2ccccc2)C1 ZINC000852333278 1136450015 /nfs/dbraw/zinc/45/00/15/1136450015.db2.gz JCDVQHRLTCFEJK-FQEVSTJZSA-N 1 2 337.492 3.872 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000852333278 1136450017 /nfs/dbraw/zinc/45/00/17/1136450017.db2.gz JCDVQHRLTCFEJK-FQEVSTJZSA-N 1 2 337.492 3.872 20 30 EHEDLO CC(=[NH+]Nc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814786450 1136508361 /nfs/dbraw/zinc/50/83/61/1136508361.db2.gz KCHKDSTXOIJTDN-UHFFFAOYSA-N 1 2 349.188 3.776 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](O)c1ccccc1Cl ZINC000853367966 1136528390 /nfs/dbraw/zinc/52/83/90/1136528390.db2.gz XGVAIOZPAWICQM-INIZCTEOSA-N 1 2 330.815 3.673 20 30 EHEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccc(F)c(F)c2F)CCO1 ZINC000814945088 1136529337 /nfs/dbraw/zinc/52/93/37/1136529337.db2.gz KHAQEHIXIQLCSP-GFCCVEGCSA-N 1 2 349.356 3.775 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncn(CCc2cccs2)c1=S ZINC000853598424 1136547847 /nfs/dbraw/zinc/54/78/47/1136547847.db2.gz QRWFHPZQDKXYMF-GASCZTMLSA-N 1 2 346.525 3.859 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncn(CCc2cccs2)c1=S ZINC000853598424 1136547851 /nfs/dbraw/zinc/54/78/51/1136547851.db2.gz QRWFHPZQDKXYMF-GASCZTMLSA-N 1 2 346.525 3.859 20 30 EHEDLO C[C@H]([C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC001135335900 1136666025 /nfs/dbraw/zinc/66/60/25/1136666025.db2.gz NDBIQDZLGHZBGO-DLBZAZTESA-N 1 2 341.499 3.521 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cnn(-c2ccccc2)c1 ZINC000820616113 1136998444 /nfs/dbraw/zinc/99/84/44/1136998444.db2.gz JISUNQHGMMQIIV-UHFFFAOYSA-N 1 2 332.407 3.672 20 30 EHEDLO Cc1[nH]c(CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)[nH+]c1C ZINC000862397298 1137142478 /nfs/dbraw/zinc/14/24/78/1137142478.db2.gz FFAQNGFYSIEFBH-NSHDSACASA-N 1 2 336.361 3.960 20 30 EHEDLO N#CCC1CC[NH+](Cc2c(Br)ccc(F)c2F)CC1 ZINC001143335780 1137172247 /nfs/dbraw/zinc/17/22/47/1137172247.db2.gz HVNMWVKWCDCTLG-UHFFFAOYSA-N 1 2 329.188 3.853 20 30 EHEDLO Cn1cc[nH+]c1NN=Cc1ccc(Br)cc1C(F)(F)F ZINC000794541489 1137192906 /nfs/dbraw/zinc/19/29/06/1137192906.db2.gz OJNNFIVIDYVKMY-UHFFFAOYSA-N 1 2 347.138 3.647 20 30 EHEDLO CCc1noc([C@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730999 1137194526 /nfs/dbraw/zinc/19/45/26/1137194526.db2.gz JQUBTCUPCUKDGA-ZDUSSCGKSA-N 1 2 330.819 3.537 20 30 EHEDLO CCc1noc([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730999 1137194527 /nfs/dbraw/zinc/19/45/27/1137194527.db2.gz JQUBTCUPCUKDGA-ZDUSSCGKSA-N 1 2 330.819 3.537 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1C#N ZINC001143731522 1137194597 /nfs/dbraw/zinc/19/45/97/1137194597.db2.gz WRPLLCLMSGMISH-CQSZACIVSA-N 1 2 334.847 3.908 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143731522 1137194598 /nfs/dbraw/zinc/19/45/98/1137194598.db2.gz WRPLLCLMSGMISH-CQSZACIVSA-N 1 2 334.847 3.908 20 30 EHEDLO CC(C)c1cccc2c1OC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794703445 1137236147 /nfs/dbraw/zinc/23/61/47/1137236147.db2.gz SKAWFICGJNLKID-JYRVWZFOSA-N 1 2 342.464 3.987 20 30 EHEDLO COC(=O)c1csc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000794723163 1137240437 /nfs/dbraw/zinc/24/04/37/1137240437.db2.gz AZGDAJGYUDQIQG-ARJAWSKDSA-N 1 2 346.795 3.732 20 30 EHEDLO C[C@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)n1cc[nH+]c1 ZINC000845447040 1137292452 /nfs/dbraw/zinc/29/24/52/1137292452.db2.gz ABBPCNXTJGWDRA-ZYHUDNBSSA-N 1 2 344.827 3.974 20 30 EHEDLO CN(c1ccc(Nc2cc(F)cnc2C#N)c[nH+]1)C1CCCCC1 ZINC001212614116 1137293956 /nfs/dbraw/zinc/29/39/56/1137293956.db2.gz FZPITUIUBHMKNP-UHFFFAOYSA-N 1 2 325.391 4.000 20 30 EHEDLO N#Cc1ccc(CC2CC[NH+](Cc3c(F)cc(O)cc3F)CC2)cc1 ZINC001144554773 1137308906 /nfs/dbraw/zinc/30/89/06/1137308906.db2.gz HFYFUUYVJYTCOM-UHFFFAOYSA-N 1 2 342.389 3.997 20 30 EHEDLO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)c1nc(-c2ccccc2)no1 ZINC000866311651 1137344623 /nfs/dbraw/zinc/34/46/23/1137344623.db2.gz JZQGBHPPEJWZEM-ZIAGYGMSSA-N 1 2 348.406 3.768 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1cccc(C#N)c1O ZINC000866365325 1137349755 /nfs/dbraw/zinc/34/97/55/1137349755.db2.gz VAXXTWZYQXZMCK-PZROIBLQSA-N 1 2 328.437 3.678 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000847032342 1137383703 /nfs/dbraw/zinc/38/37/03/1137383703.db2.gz SMRSQCRFAMUQEP-VXGBXAGGSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000847032342 1137383705 /nfs/dbraw/zinc/38/37/05/1137383705.db2.gz SMRSQCRFAMUQEP-VXGBXAGGSA-N 1 2 325.239 3.666 20 30 EHEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001171961726 1137519639 /nfs/dbraw/zinc/51/96/39/1137519639.db2.gz AJEWHGYRPPMGQZ-ABAIWWIYSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001171961726 1137519640 /nfs/dbraw/zinc/51/96/40/1137519640.db2.gz AJEWHGYRPPMGQZ-ABAIWWIYSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001171961726 1137519641 /nfs/dbraw/zinc/51/96/41/1137519641.db2.gz AJEWHGYRPPMGQZ-ABAIWWIYSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001171961726 1137519642 /nfs/dbraw/zinc/51/96/42/1137519642.db2.gz AJEWHGYRPPMGQZ-ABAIWWIYSA-N 1 2 341.398 3.911 20 30 EHEDLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C#N)CCCC1)C2 ZINC001172085217 1137532211 /nfs/dbraw/zinc/53/22/11/1137532211.db2.gz LGLDQFHIFXJPBY-PHZGNYQRSA-N 1 2 333.476 3.733 20 30 EHEDLO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001172218252 1137541971 /nfs/dbraw/zinc/54/19/71/1137541971.db2.gz ZTWKITICXHVXEG-IMUUDWKMSA-N 1 2 334.847 3.537 20 30 EHEDLO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001172218252 1137541972 /nfs/dbraw/zinc/54/19/72/1137541972.db2.gz ZTWKITICXHVXEG-IMUUDWKMSA-N 1 2 334.847 3.537 20 30 EHEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172290112 1137548097 /nfs/dbraw/zinc/54/80/97/1137548097.db2.gz MJYFNOHDVAEHJL-SECBINFHSA-N 1 2 342.258 3.912 20 30 EHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172328151 1137550455 /nfs/dbraw/zinc/55/04/55/1137550455.db2.gz OLAMIENVLWTBBT-SCTDSRPQSA-N 1 2 333.472 3.510 20 30 EHEDLO Cn1c(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc2ccccc21 ZINC000876816776 1137662472 /nfs/dbraw/zinc/66/24/72/1137662472.db2.gz QFCPZARBCZTAPL-NRFANRHFSA-N 1 2 331.419 3.623 20 30 EHEDLO Cn1c(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc2ccccc21 ZINC000876816776 1137662473 /nfs/dbraw/zinc/66/24/73/1137662473.db2.gz QFCPZARBCZTAPL-NRFANRHFSA-N 1 2 331.419 3.623 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000878166853 1137705550 /nfs/dbraw/zinc/70/55/50/1137705550.db2.gz HQCSUKFNLVVTQZ-IBGZPJMESA-N 1 2 341.842 3.607 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000878166853 1137705551 /nfs/dbraw/zinc/70/55/51/1137705551.db2.gz HQCSUKFNLVVTQZ-IBGZPJMESA-N 1 2 341.842 3.607 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000878336184 1137711269 /nfs/dbraw/zinc/71/12/69/1137711269.db2.gz ZDBCJQFTKNWGAH-OAQYLSRUSA-N 1 2 336.410 3.624 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000878336184 1137711270 /nfs/dbraw/zinc/71/12/70/1137711270.db2.gz ZDBCJQFTKNWGAH-OAQYLSRUSA-N 1 2 336.410 3.624 20 30 EHEDLO COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC#N)CC1 ZINC000878397226 1137714217 /nfs/dbraw/zinc/71/42/17/1137714217.db2.gz SDLKOHMEJNYHKK-HNNXBMFYSA-N 1 2 340.345 3.545 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2oc(-c3ccccc3)nc2C)n1 ZINC000878525658 1137718905 /nfs/dbraw/zinc/71/89/05/1137718905.db2.gz BJXXWDJPQFTQAU-UHFFFAOYSA-N 1 2 334.423 3.502 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2oc(-c3ccccc3)nc2C)n1 ZINC000878525658 1137718906 /nfs/dbraw/zinc/71/89/06/1137718906.db2.gz BJXXWDJPQFTQAU-UHFFFAOYSA-N 1 2 334.423 3.502 20 30 EHEDLO CCOC(=O)c1c(C)ccnc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000878729427 1137726570 /nfs/dbraw/zinc/72/65/70/1137726570.db2.gz ZSUUSNWJTPNPMS-OAHLLOKOSA-N 1 2 337.423 3.631 20 30 EHEDLO CCOC(=O)c1c(C)ccnc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000878729427 1137726571 /nfs/dbraw/zinc/72/65/71/1137726571.db2.gz ZSUUSNWJTPNPMS-OAHLLOKOSA-N 1 2 337.423 3.631 20 30 EHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000131033484 1137845338 /nfs/dbraw/zinc/84/53/38/1137845338.db2.gz MIVBUXHCCKNWJW-FQEVSTJZSA-N 1 2 343.434 3.920 20 30 EHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000131033484 1137845339 /nfs/dbraw/zinc/84/53/39/1137845339.db2.gz MIVBUXHCCKNWJW-FQEVSTJZSA-N 1 2 343.434 3.920 20 30 EHEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000332296491 1137938786 /nfs/dbraw/zinc/93/87/86/1137938786.db2.gz OROBFQOULYUYPF-LJQANCHMSA-N 1 2 341.455 3.806 20 30 EHEDLO Cc1ccc2c(c1Br)C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C2 ZINC000886287155 1138064374 /nfs/dbraw/zinc/06/43/74/1138064374.db2.gz LAFKBONOUJHDBH-CQSZACIVSA-N 1 2 349.272 3.518 20 30 EHEDLO Cc1ccc2c(c1Br)C[N@H+](C[C@H](O)CC1(C#N)CCC1)C2 ZINC000886287155 1138064376 /nfs/dbraw/zinc/06/43/76/1138064376.db2.gz LAFKBONOUJHDBH-CQSZACIVSA-N 1 2 349.272 3.518 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cnn(Cc2ccccc2)c1 ZINC000348378640 1138067323 /nfs/dbraw/zinc/06/73/23/1138067323.db2.gz JZIHLUQGGVXBRP-HNNXBMFYSA-N 1 2 334.398 3.793 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000263897868 1138388918 /nfs/dbraw/zinc/38/89/18/1138388918.db2.gz IJPBPKHXQPUMKR-CQSZACIVSA-N 1 2 336.505 3.805 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000263897868 1138388921 /nfs/dbraw/zinc/38/89/21/1138388921.db2.gz IJPBPKHXQPUMKR-CQSZACIVSA-N 1 2 336.505 3.805 20 30 EHEDLO C=C[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000134843077 1138707882 /nfs/dbraw/zinc/70/78/82/1138707882.db2.gz SJQSXLSRBHHQRG-MOPGFXCFSA-N 1 2 349.478 3.647 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000185724501 1140166272 /nfs/dbraw/zinc/16/62/72/1140166272.db2.gz NXFOEGIXTBAOOH-KRWDZBQOSA-N 1 2 329.488 3.749 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000187137721 1140240993 /nfs/dbraw/zinc/24/09/93/1140240993.db2.gz TYVHQHPZCXJFFK-IBGZPJMESA-N 1 2 348.874 3.762 20 30 EHEDLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(C#N)cc1 ZINC000266509895 1140696300 /nfs/dbraw/zinc/69/63/00/1140696300.db2.gz XHQHVTVSDVFEMP-BZUAXINKSA-N 1 2 336.439 3.740 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc([S@](C)=O)cc1 ZINC000348877254 1141602171 /nfs/dbraw/zinc/60/21/71/1141602171.db2.gz OTZBJGNIIOUBDY-DEOSSOPVSA-N 1 2 345.512 3.780 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc([S@](C)=O)cc1 ZINC000348877254 1141602177 /nfs/dbraw/zinc/60/21/77/1141602177.db2.gz OTZBJGNIIOUBDY-DEOSSOPVSA-N 1 2 345.512 3.780 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c(C#N)c1C ZINC000097036205 218925004 /nfs/dbraw/zinc/92/50/04/218925004.db2.gz VXFOABAKIVMFNC-NSHDSACASA-N 1 2 347.365 3.678 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c(C#N)c1C ZINC000097036205 218925006 /nfs/dbraw/zinc/92/50/06/218925006.db2.gz VXFOABAKIVMFNC-NSHDSACASA-N 1 2 347.365 3.678 20 30 EHEDLO N#CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000153293673 1125466747 /nfs/dbraw/zinc/46/67/47/1125466747.db2.gz YTECGIHEDFFVNC-LJQANCHMSA-N 1 2 330.391 3.647 20 30 EHEDLO Cc1cn2cc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)ccc2[nH+]1 ZINC000339267982 1014133781 /nfs/dbraw/zinc/13/37/81/1014133781.db2.gz CUOZPGKSNHQDBY-IBGZPJMESA-N 1 2 348.406 3.557 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728194560 1014939349 /nfs/dbraw/zinc/93/93/49/1014939349.db2.gz AUAGCFMNOYCVCC-HXUWFJFHSA-N 1 2 334.463 3.957 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728194560 1014939360 /nfs/dbraw/zinc/93/93/60/1014939360.db2.gz AUAGCFMNOYCVCC-HXUWFJFHSA-N 1 2 334.463 3.957 20 30 EHEDLO N#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)s1 ZINC000339847774 1015749256 /nfs/dbraw/zinc/74/92/56/1015749256.db2.gz RMKPXPHOXVTVTI-UHFFFAOYSA-N 1 2 346.415 3.787 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC001167251481 1016768441 /nfs/dbraw/zinc/76/84/41/1016768441.db2.gz FJGBDIACHXXYRY-OAHLLOKOSA-N 1 2 344.418 3.694 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC001167251481 1016768454 /nfs/dbraw/zinc/76/84/54/1016768454.db2.gz FJGBDIACHXXYRY-OAHLLOKOSA-N 1 2 344.418 3.694 20 30 EHEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000376645598 1016951764 /nfs/dbraw/zinc/95/17/64/1016951764.db2.gz WUKVEQJIAMCOFW-KRWDZBQOSA-N 1 2 331.419 3.735 20 30 EHEDLO Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000905002072 1032315909 /nfs/dbraw/zinc/31/59/09/1032315909.db2.gz FICYACLWWADNDV-JUNAXDAMSA-N 1 2 345.295 3.698 20 30 EHEDLO Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000905002072 1032315922 /nfs/dbraw/zinc/31/59/22/1032315922.db2.gz FICYACLWWADNDV-JUNAXDAMSA-N 1 2 345.295 3.698 20 30 EHEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1nc(Br)cs1 ZINC000905082280 1032334767 /nfs/dbraw/zinc/33/47/67/1032334767.db2.gz VHXXWEKFNNYLBI-ONEGZZNKSA-N 1 2 326.219 3.579 20 30 EHEDLO Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3ccc(-n4cc[nH+]c4)cc3)nc21 ZINC000343789681 1032474257 /nfs/dbraw/zinc/47/42/57/1032474257.db2.gz KJUPQFXRKAAJJJ-INIZCTEOSA-N 1 2 341.374 3.547 20 30 EHEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1c(F)cccc1F ZINC000537026557 1032489762 /nfs/dbraw/zinc/48/97/62/1032489762.db2.gz LBOOHXLUFPRBED-JTQLQIEISA-N 1 2 349.768 3.779 20 30 EHEDLO C[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC000610346308 1018355612 /nfs/dbraw/zinc/35/56/12/1018355612.db2.gz SPOMIJVVQMFJDL-GFCCVEGCSA-N 1 2 344.374 3.804 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000548096657 1019369406 /nfs/dbraw/zinc/36/94/06/1019369406.db2.gz FMAZVNVWXRIIMR-UHFFFAOYSA-N 1 2 334.419 3.923 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000548096657 1019369420 /nfs/dbraw/zinc/36/94/20/1019369420.db2.gz FMAZVNVWXRIIMR-UHFFFAOYSA-N 1 2 334.419 3.923 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3c(C#N)cccc3[N+](=O)[O-])CCC2)cc1 ZINC000594035422 1032846544 /nfs/dbraw/zinc/84/65/44/1032846544.db2.gz MGTONRQAJVEGNT-UHFFFAOYSA-N 1 2 332.363 3.507 20 30 EHEDLO N#Cc1cc(F)c(N2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000340773214 1019968972 /nfs/dbraw/zinc/96/89/72/1019968972.db2.gz FOBSQKPEKQJEDW-UHFFFAOYSA-N 1 2 330.382 3.730 20 30 EHEDLO Cc1csc([C@@H](C#N)C(=O)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000581062842 1020395513 /nfs/dbraw/zinc/39/55/13/1020395513.db2.gz PWDAQBNAXLZMSX-KRWDZBQOSA-N 1 2 339.464 3.928 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000345767786 1020499682 /nfs/dbraw/zinc/49/96/82/1020499682.db2.gz HQSSDTGJTNCBLW-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000345767786 1020499688 /nfs/dbraw/zinc/49/96/88/1020499688.db2.gz HQSSDTGJTNCBLW-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO COCCc1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602480205 1032909728 /nfs/dbraw/zinc/90/97/28/1032909728.db2.gz AMFFKSVJGBRVMG-QZTJIDSGSA-N 1 2 341.480 3.604 20 30 EHEDLO COCCc1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602480205 1032909742 /nfs/dbraw/zinc/90/97/42/1032909742.db2.gz AMFFKSVJGBRVMG-QZTJIDSGSA-N 1 2 341.480 3.604 20 30 EHEDLO C=C[C@@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000123702988 1020647229 /nfs/dbraw/zinc/64/72/29/1020647229.db2.gz JMDOLPMPIJEWLL-KRWDZBQOSA-N 1 2 340.492 3.752 20 30 EHEDLO COc1cc(C)c(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1OC ZINC000255293510 1020718332 /nfs/dbraw/zinc/71/83/32/1020718332.db2.gz CTYDWEIAYZKWRC-FPLPWBNLSA-N 1 2 336.391 3.864 20 30 EHEDLO COc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1OCCC(C)C ZINC000897633213 1033030462 /nfs/dbraw/zinc/03/04/62/1033030462.db2.gz XUHVFIFPTXXXMK-UHFFFAOYSA-N 1 2 345.468 3.738 20 30 EHEDLO FC(F)(F)c1csc(N=NCc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000783855148 1033037527 /nfs/dbraw/zinc/03/75/27/1033037527.db2.gz HQBMIRLSBVVVBI-UHFFFAOYSA-N 1 2 343.359 3.855 20 30 EHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178941055 1022674926 /nfs/dbraw/zinc/67/49/26/1022674926.db2.gz PWOCJSALAPECME-FNORWQNLSA-N 1 2 327.727 3.792 20 30 EHEDLO C=CC1(CC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)CCCCC1 ZINC000933708676 1022779712 /nfs/dbraw/zinc/77/97/12/1022779712.db2.gz SDDIUQQOKYBYAF-UHFFFAOYSA-N 1 2 328.447 3.701 20 30 EHEDLO C=CC1(CC(=O)N2CCC([N@H+](C)CC(F)F)CC2)CCCCC1 ZINC000933708676 1022779702 /nfs/dbraw/zinc/77/97/02/1022779702.db2.gz SDDIUQQOKYBYAF-UHFFFAOYSA-N 1 2 328.447 3.701 20 30 EHEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC(F)(F)F ZINC000438785478 1023000070 /nfs/dbraw/zinc/00/00/70/1023000070.db2.gz OBYZFMUAZIOZBC-UHFFFAOYSA-N 1 2 325.252 3.821 20 30 EHEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCC(F)(F)F ZINC000438785478 1023000082 /nfs/dbraw/zinc/00/00/82/1023000082.db2.gz OBYZFMUAZIOZBC-UHFFFAOYSA-N 1 2 325.252 3.821 20 30 EHEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000507291729 1023237356 /nfs/dbraw/zinc/23/73/56/1023237356.db2.gz JOOYUEINHDSUEZ-UHFFFAOYSA-N 1 2 345.368 3.899 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000507351570 1023260483 /nfs/dbraw/zinc/26/04/83/1023260483.db2.gz DZSFYDZQYWVONO-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000507351570 1023260490 /nfs/dbraw/zinc/26/04/90/1023260490.db2.gz DZSFYDZQYWVONO-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C[C@H](c1ccccc1Br)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991925 1023971800 /nfs/dbraw/zinc/97/18/00/1023971800.db2.gz WTPFZZKBNSEWEP-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@H](c1ccccc1Br)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991925 1023971818 /nfs/dbraw/zinc/97/18/18/1023971818.db2.gz WTPFZZKBNSEWEP-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@H]1n1cc[nH+]c1 ZINC000574702464 1024185062 /nfs/dbraw/zinc/18/50/62/1024185062.db2.gz KCIJSVSEXLEDHI-MAUKXSAKSA-N 1 2 349.482 3.851 20 30 EHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329776866 1024190312 /nfs/dbraw/zinc/19/03/12/1024190312.db2.gz KFAWPAAXECTHJZ-WBAXXEDZSA-N 1 2 346.471 3.870 20 30 EHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329776866 1024190320 /nfs/dbraw/zinc/19/03/20/1024190320.db2.gz KFAWPAAXECTHJZ-WBAXXEDZSA-N 1 2 346.471 3.870 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1CCCOCC1 ZINC000329884201 1024235021 /nfs/dbraw/zinc/23/50/21/1024235021.db2.gz SDQLLWZGYWTEFV-KRWDZBQOSA-N 1 2 331.460 3.735 20 30 EHEDLO C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329890246 1024237166 /nfs/dbraw/zinc/23/71/66/1024237166.db2.gz FYPWSANTXLDUSP-OSGQAZFXSA-N 1 2 338.455 3.614 20 30 EHEDLO C[C@@H]1Cc2ccccc2[C@@H]1[NH+]=C([O-])N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329890246 1024237181 /nfs/dbraw/zinc/23/71/81/1024237181.db2.gz FYPWSANTXLDUSP-OSGQAZFXSA-N 1 2 338.455 3.614 20 30 EHEDLO CCCCCCCCCCC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001269833024 1024265671 /nfs/dbraw/zinc/26/56/71/1024265671.db2.gz RTFZMBIVOSVRAG-UHFFFAOYSA-N 1 2 346.519 3.585 20 30 EHEDLO COc1cc(F)c([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1OC ZINC000428319014 1024328435 /nfs/dbraw/zinc/32/84/35/1024328435.db2.gz IJOIIFKKKULHGX-NSHDSACASA-N 1 2 332.350 3.704 20 30 EHEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330197137 1024349399 /nfs/dbraw/zinc/34/93/99/1024349399.db2.gz RJUHMWXLGIFFSZ-GDBMZVCRSA-N 1 2 349.450 3.742 20 30 EHEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000330197137 1024349413 /nfs/dbraw/zinc/34/94/13/1024349413.db2.gz RJUHMWXLGIFFSZ-GDBMZVCRSA-N 1 2 349.450 3.742 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCCOCC3)n2)C1 ZINC000330261423 1024376167 /nfs/dbraw/zinc/37/61/67/1024376167.db2.gz PCRALNIPEXGJRO-ZIAGYGMSSA-N 1 2 337.489 3.780 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCCOCC3)n2)C1 ZINC000330261423 1024376176 /nfs/dbraw/zinc/37/61/76/1024376176.db2.gz PCRALNIPEXGJRO-ZIAGYGMSSA-N 1 2 337.489 3.780 20 30 EHEDLO C#CC[N@@H+](C)Cc1c(OC)cc(C(F)(F)F)cc1C(F)(F)F ZINC001143425018 1024414768 /nfs/dbraw/zinc/41/47/68/1024414768.db2.gz BHPZCGITOZJNJL-UHFFFAOYSA-N 1 2 325.252 3.798 20 30 EHEDLO C#CC[N@H+](C)Cc1c(OC)cc(C(F)(F)F)cc1C(F)(F)F ZINC001143425018 1024414773 /nfs/dbraw/zinc/41/47/73/1024414773.db2.gz BHPZCGITOZJNJL-UHFFFAOYSA-N 1 2 325.252 3.798 20 30 EHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000665392161 1024541695 /nfs/dbraw/zinc/54/16/95/1024541695.db2.gz UBLGNULMDLIEMD-MHORFTMASA-N 1 2 330.476 3.611 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000434988481 1024542317 /nfs/dbraw/zinc/54/23/17/1024542317.db2.gz SOLURGIYBBTOOH-HXUWFJFHSA-N 1 2 349.409 3.954 20 30 EHEDLO C=CCC[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000435100042 1024621319 /nfs/dbraw/zinc/62/13/19/1024621319.db2.gz BGLKUAVXBRUZFR-SFHVURJKSA-N 1 2 338.455 3.890 20 30 EHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2sccc2C2CC2)CCO1 ZINC000330320172 1024778256 /nfs/dbraw/zinc/77/82/56/1024778256.db2.gz DXSBWGFNRGTOSH-WFASDCNBSA-N 1 2 331.441 3.584 20 30 EHEDLO Cc1ccc(C#N)c(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000346852903 1025241407 /nfs/dbraw/zinc/24/14/07/1025241407.db2.gz QZGSSBIXHNWWAJ-OAHLLOKOSA-N 1 2 342.393 3.616 20 30 EHEDLO Cc1ccc(C#N)c(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000346852903 1025241419 /nfs/dbraw/zinc/24/14/19/1025241419.db2.gz QZGSSBIXHNWWAJ-OAHLLOKOSA-N 1 2 342.393 3.616 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CC)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063388271 1033289349 /nfs/dbraw/zinc/28/93/49/1033289349.db2.gz UKVIVHDBDLOCCM-UHFFFAOYSA-N 1 2 333.435 3.599 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CC)c1ccccc1)Cc1cccc(C#N)c1 ZINC000063388271 1033289364 /nfs/dbraw/zinc/28/93/64/1033289364.db2.gz UKVIVHDBDLOCCM-UHFFFAOYSA-N 1 2 333.435 3.599 20 30 EHEDLO COC(=O)c1sc2ccccc2c1C[NH+]1CCC(F)(C#N)CC1 ZINC000352491296 1025903450 /nfs/dbraw/zinc/90/34/50/1025903450.db2.gz PPDNNIBFIRFCGH-UHFFFAOYSA-N 1 2 332.400 3.516 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCC1 ZINC000665587525 1026119826 /nfs/dbraw/zinc/11/98/26/1026119826.db2.gz SCENORFPMMPKHZ-QGZVFWFLSA-N 1 2 330.476 3.756 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000158243638 1026151449 /nfs/dbraw/zinc/15/14/49/1026151449.db2.gz KZUNQUDESRXPTE-KRWDZBQOSA-N 1 2 330.428 3.940 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000158243638 1026151455 /nfs/dbraw/zinc/15/14/55/1026151455.db2.gz KZUNQUDESRXPTE-KRWDZBQOSA-N 1 2 330.428 3.940 20 30 EHEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC001167572521 1026176829 /nfs/dbraw/zinc/17/68/29/1026176829.db2.gz OMSLFCUFUNRVBK-UHFFFAOYSA-N 1 2 341.480 3.629 20 30 EHEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC001167572521 1026176846 /nfs/dbraw/zinc/17/68/46/1026176846.db2.gz OMSLFCUFUNRVBK-UHFFFAOYSA-N 1 2 341.480 3.629 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000304341715 1026188239 /nfs/dbraw/zinc/18/82/39/1026188239.db2.gz YXLACNVFICQVIL-LZQZEXGQSA-N 1 2 342.389 3.770 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000304341715 1026188245 /nfs/dbraw/zinc/18/82/45/1026188245.db2.gz YXLACNVFICQVIL-LZQZEXGQSA-N 1 2 342.389 3.770 20 30 EHEDLO C=CCOc1ccc(C[N@@H+](Cc2nc(N(C)C)no2)C(C)(C)C)cc1 ZINC000192743828 1026334451 /nfs/dbraw/zinc/33/44/51/1026334451.db2.gz ZUNYIXLBCQYVDL-UHFFFAOYSA-N 1 2 344.459 3.501 20 30 EHEDLO C=CCOc1ccc(C[N@H+](Cc2nc(N(C)C)no2)C(C)(C)C)cc1 ZINC000192743828 1026334458 /nfs/dbraw/zinc/33/44/58/1026334458.db2.gz ZUNYIXLBCQYVDL-UHFFFAOYSA-N 1 2 344.459 3.501 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000342609094 1026456794 /nfs/dbraw/zinc/45/67/94/1026456794.db2.gz UDMKQOUHSWQDOG-UHFFFAOYSA-N 1 2 348.450 3.578 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000501213155 1027139708 /nfs/dbraw/zinc/13/97/08/1027139708.db2.gz YLOLPBBNCQYTHP-HRAATJIYSA-N 1 2 336.435 3.837 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000501213155 1027139711 /nfs/dbraw/zinc/13/97/11/1027139711.db2.gz YLOLPBBNCQYTHP-HRAATJIYSA-N 1 2 336.435 3.837 20 30 EHEDLO CCO[C@H](C)c1noc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000347045145 1027804268 /nfs/dbraw/zinc/80/42/68/1027804268.db2.gz ZIIMCWWNPQHOIX-OAHLLOKOSA-N 1 2 342.443 3.697 20 30 EHEDLO CCO[C@H](C)c1noc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000347045145 1027804286 /nfs/dbraw/zinc/80/42/86/1027804286.db2.gz ZIIMCWWNPQHOIX-OAHLLOKOSA-N 1 2 342.443 3.697 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000459358564 1027929151 /nfs/dbraw/zinc/92/91/51/1027929151.db2.gz BELWHGBRWYFZHI-QGZVFWFLSA-N 1 2 336.395 3.543 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000459358564 1027929161 /nfs/dbraw/zinc/92/91/61/1027929161.db2.gz BELWHGBRWYFZHI-QGZVFWFLSA-N 1 2 336.395 3.543 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cnn(Cc4ccccc4)c3)n21 ZINC000760272499 1028608062 /nfs/dbraw/zinc/60/80/62/1028608062.db2.gz GZTAGJXYBJBKAS-ZHACJKMWSA-N 1 2 342.402 3.784 20 30 EHEDLO C=CCN(CC=C)C(=O)c1ccc(NCc2c[nH+]cn2C(C)C)cc1 ZINC000424177493 1028852830 /nfs/dbraw/zinc/85/28/30/1028852830.db2.gz URQUDFXPWSQWPR-UHFFFAOYSA-N 1 2 338.455 3.890 20 30 EHEDLO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C)(C#N)CC3)n2)cc1F ZINC000272536016 1029501881 /nfs/dbraw/zinc/50/18/81/1029501881.db2.gz JCADMLOIVOIMQU-CYBMUJFWSA-N 1 2 328.391 3.871 20 30 EHEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000026324513 1029642675 /nfs/dbraw/zinc/64/26/75/1029642675.db2.gz UKZKSQAACUFZNB-UHFFFAOYSA-N 1 2 341.842 3.899 20 30 EHEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000026324513 1029642679 /nfs/dbraw/zinc/64/26/79/1029642679.db2.gz UKZKSQAACUFZNB-UHFFFAOYSA-N 1 2 341.842 3.899 20 30 EHEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(C(F)(F)F)cc1C#N ZINC000428660561 1029864591 /nfs/dbraw/zinc/86/45/91/1029864591.db2.gz CJXJGEZZCOFYBD-UHFFFAOYSA-N 1 2 334.345 3.746 20 30 EHEDLO Cc1cc(C)c2ncc(C#N)c(N(C)Cc3cn4c([nH+]3)CCCC4)c2c1 ZINC000428677897 1029892732 /nfs/dbraw/zinc/89/27/32/1029892732.db2.gz FTXNNIQFOVBTOM-UHFFFAOYSA-N 1 2 345.450 3.893 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000428474188 1030050727 /nfs/dbraw/zinc/05/07/27/1030050727.db2.gz RBCFGJHLWLVHSN-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000428474188 1030050744 /nfs/dbraw/zinc/05/07/44/1030050744.db2.gz RBCFGJHLWLVHSN-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO C=CCOc1ccc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000159877412 1030416856 /nfs/dbraw/zinc/41/68/56/1030416856.db2.gz NTAVSRKHAWNRIC-UHFFFAOYSA-N 1 2 349.434 3.510 20 30 EHEDLO C=CCOc1ccc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000159877412 1030416863 /nfs/dbraw/zinc/41/68/63/1030416863.db2.gz NTAVSRKHAWNRIC-UHFFFAOYSA-N 1 2 349.434 3.510 20 30 EHEDLO CCCC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1Cl ZINC000527376974 1030885955 /nfs/dbraw/zinc/88/59/55/1030885955.db2.gz SYAMYPRWBJKYQX-UHFFFAOYSA-N 1 2 333.863 3.505 20 30 EHEDLO CCCC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1Cl ZINC000527376974 1030885978 /nfs/dbraw/zinc/88/59/78/1030885978.db2.gz SYAMYPRWBJKYQX-UHFFFAOYSA-N 1 2 333.863 3.505 20 30 EHEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1F ZINC000483232554 1031062879 /nfs/dbraw/zinc/06/28/79/1031062879.db2.gz KFAXWAXNJVZBHU-HNNXBMFYSA-N 1 2 339.197 3.827 20 30 EHEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1OC(F)F ZINC000730147377 1031261886 /nfs/dbraw/zinc/26/18/86/1031261886.db2.gz CNGOCKRJAIQCAV-UHFFFAOYSA-N 1 2 343.333 3.713 20 30 EHEDLO C=CCN(CC1CCCCC1)C(=O)NCCCNc1cccc[nH+]1 ZINC000483881046 1031381928 /nfs/dbraw/zinc/38/19/28/1031381928.db2.gz DMGFFACPVSRLRK-UHFFFAOYSA-N 1 2 330.476 3.662 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000052868412 1031914977 /nfs/dbraw/zinc/91/49/77/1031914977.db2.gz MGFVEQKXRUKEMF-UHFFFAOYSA-N 1 2 330.762 3.554 20 30 EHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[C@H](C)n2cc[nH+]c2)c1C#N ZINC000593028522 1033861200 /nfs/dbraw/zinc/86/12/00/1033861200.db2.gz OULPKQCKVYEMJC-AWEZNQCLSA-N 1 2 347.422 3.752 20 30 EHEDLO CC1CCC(Oc2cc(C[NH2+]Cc3nc(C#N)cs3)ccn2)CC1 ZINC000575097842 1033876081 /nfs/dbraw/zinc/87/60/81/1033876081.db2.gz PZEDOFRIOJZIEC-UHFFFAOYSA-N 1 2 342.468 3.657 20 30 EHEDLO COc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1C#N ZINC000174324108 1033895110 /nfs/dbraw/zinc/89/51/10/1033895110.db2.gz MGAFEOZSRMSLTE-SFHVURJKSA-N 1 2 335.432 3.903 20 30 EHEDLO Cc1cc(C#N)cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000455982105 1034004451 /nfs/dbraw/zinc/00/44/51/1034004451.db2.gz HQFZOVISTNJNBO-UHFFFAOYSA-N 1 2 349.438 3.574 20 30 EHEDLO N#Cc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)sc1Cl ZINC000596056120 1034057431 /nfs/dbraw/zinc/05/74/31/1034057431.db2.gz QQXHYWRBESWDKM-QPJJXVBHSA-N 1 2 344.871 3.504 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000604435539 1034379182 /nfs/dbraw/zinc/37/91/82/1034379182.db2.gz XMQZNSURKHCLBF-KUHUBIRLSA-N 1 2 347.890 3.920 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000604435539 1034379196 /nfs/dbraw/zinc/37/91/96/1034379196.db2.gz XMQZNSURKHCLBF-KUHUBIRLSA-N 1 2 347.890 3.920 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121168107 1034483661 /nfs/dbraw/zinc/48/36/61/1034483661.db2.gz DFVJRWDDAYPVPP-HNNXBMFYSA-N 1 2 335.517 3.768 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121168107 1034483669 /nfs/dbraw/zinc/48/36/69/1034483669.db2.gz DFVJRWDDAYPVPP-HNNXBMFYSA-N 1 2 335.517 3.768 20 30 EHEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597011094 1034491469 /nfs/dbraw/zinc/49/14/69/1034491469.db2.gz UGEYESFYWZLULO-GOSISDBHSA-N 1 2 346.478 3.516 20 30 EHEDLO C[C@]1(C#N)CCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000612406920 1034898004 /nfs/dbraw/zinc/89/80/04/1034898004.db2.gz XCXSOUNQVJOZIX-QGZVFWFLSA-N 1 2 347.256 3.851 20 30 EHEDLO C[C@]1(C#N)CCC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000612406920 1034898016 /nfs/dbraw/zinc/89/80/16/1034898016.db2.gz XCXSOUNQVJOZIX-QGZVFWFLSA-N 1 2 347.256 3.851 20 30 EHEDLO C[N@H+](Cc1cccc(O)c1)Cc1ccc(Br)cc1C#N ZINC000581566602 1035509892 /nfs/dbraw/zinc/50/98/92/1035509892.db2.gz SIZFOZUNDWGCFW-UHFFFAOYSA-N 1 2 331.213 3.658 20 30 EHEDLO C[N@@H+](Cc1cccc(O)c1)Cc1ccc(Br)cc1C#N ZINC000581566602 1035509902 /nfs/dbraw/zinc/50/99/02/1035509902.db2.gz SIZFOZUNDWGCFW-UHFFFAOYSA-N 1 2 331.213 3.658 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000492399602 1035726951 /nfs/dbraw/zinc/72/69/51/1035726951.db2.gz KELIFJXCCFDINI-GOSISDBHSA-N 1 2 342.826 3.600 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492399602 1035726968 /nfs/dbraw/zinc/72/69/68/1035726968.db2.gz KELIFJXCCFDINI-GOSISDBHSA-N 1 2 342.826 3.600 20 30 EHEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nnc1-c1cccnc1 ZINC000187286207 1035803043 /nfs/dbraw/zinc/80/30/43/1035803043.db2.gz QMPXCHQGKIKXTK-UHFFFAOYSA-N 1 2 337.452 3.830 20 30 EHEDLO C=CC[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235421488 1036276465 /nfs/dbraw/zinc/27/64/65/1036276465.db2.gz AAYJWDILJKSMBO-MRVPVSSYSA-N 1 2 349.066 3.971 20 30 EHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000590326399 1036832163 /nfs/dbraw/zinc/83/21/63/1036832163.db2.gz PYNWLWPOUCLYJL-UHFFFAOYSA-N 1 2 336.420 3.795 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000539839003 1037285152 /nfs/dbraw/zinc/28/51/52/1037285152.db2.gz DVGAPISPTGBGPB-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000539839003 1037285172 /nfs/dbraw/zinc/28/51/72/1037285172.db2.gz DVGAPISPTGBGPB-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000532472930 1037421451 /nfs/dbraw/zinc/42/14/51/1037421451.db2.gz ZLVJJCMDIZNGDC-SFHVURJKSA-N 1 2 339.826 3.987 20 30 EHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000532472930 1037421456 /nfs/dbraw/zinc/42/14/56/1037421456.db2.gz ZLVJJCMDIZNGDC-SFHVURJKSA-N 1 2 339.826 3.987 20 30 EHEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000573860904 1037788323 /nfs/dbraw/zinc/78/83/23/1037788323.db2.gz PUELZJKDVWCQFB-VQIMIIECSA-N 1 2 335.451 3.886 20 30 EHEDLO N#CC1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000123668599 1038052220 /nfs/dbraw/zinc/05/22/20/1038052220.db2.gz HOTVCKAKRNULJL-QGZVFWFLSA-N 1 2 334.847 3.633 20 30 EHEDLO COc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1C#N ZINC000549408899 1038346843 /nfs/dbraw/zinc/34/68/43/1038346843.db2.gz OXBMMKZKNGYVDW-IBGZPJMESA-N 1 2 328.362 3.777 20 30 EHEDLO COc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1C#N ZINC000549408899 1038346857 /nfs/dbraw/zinc/34/68/57/1038346857.db2.gz OXBMMKZKNGYVDW-IBGZPJMESA-N 1 2 328.362 3.777 20 30 EHEDLO N#CCCCOc1cccc(C[NH2+][C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000378653821 1038835063 /nfs/dbraw/zinc/83/50/63/1038835063.db2.gz XHHFHKSTZOFSBK-QGZVFWFLSA-N 1 2 344.361 3.871 20 30 EHEDLO CCC(=O)Nc1cccc(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)c1 ZINC000924700426 1039295352 /nfs/dbraw/zinc/29/53/52/1039295352.db2.gz WWKFXQFSFDYHOF-SFHVURJKSA-N 1 2 337.423 3.853 20 30 EHEDLO CC(=O)Nc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)cs1 ZINC000433016414 1040454392 /nfs/dbraw/zinc/45/43/92/1040454392.db2.gz QNBFRMRQDNIKMG-MRXNPFEDSA-N 1 2 328.441 3.626 20 30 EHEDLO C[N@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc(C#N)cc1 ZINC000046856738 1041001598 /nfs/dbraw/zinc/00/15/98/1041001598.db2.gz DSQVBVAEZMCNGD-UHFFFAOYSA-N 1 2 326.350 3.935 20 30 EHEDLO C[N@@H+](Cc1nc2ccccc2n1C(F)F)Cc1ccc(C#N)cc1 ZINC000046856738 1041001611 /nfs/dbraw/zinc/00/16/11/1041001611.db2.gz DSQVBVAEZMCNGD-UHFFFAOYSA-N 1 2 326.350 3.935 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000279025010 1043214180 /nfs/dbraw/zinc/21/41/80/1043214180.db2.gz WDNOAQVPPSRAOB-GHMZBOCLSA-N 1 2 349.422 3.626 20 30 EHEDLO CCCc1nc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344148487 1043334213 /nfs/dbraw/zinc/33/42/13/1043334213.db2.gz REDYZJNLTYFTQP-UHFFFAOYSA-N 1 2 329.469 3.616 20 30 EHEDLO CCCc1nc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000344148487 1043334227 /nfs/dbraw/zinc/33/42/27/1043334227.db2.gz REDYZJNLTYFTQP-UHFFFAOYSA-N 1 2 329.469 3.616 20 30 EHEDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000344153957 1043342727 /nfs/dbraw/zinc/34/27/27/1043342727.db2.gz YPBRUWZNYOAWLX-AUUYWEPGSA-N 1 2 334.398 3.871 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)Cc2cncnc2)cc1 ZINC000122875291 1127100101 /nfs/dbraw/zinc/10/01/01/1127100101.db2.gz IGZRXUOQMCEEGY-UHFFFAOYSA-N 1 2 332.382 3.690 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)Cc2cncnc2)cc1 ZINC000122875291 1127100105 /nfs/dbraw/zinc/10/01/05/1127100105.db2.gz IGZRXUOQMCEEGY-UHFFFAOYSA-N 1 2 332.382 3.690 20 30 EHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000083168622 1127221690 /nfs/dbraw/zinc/22/16/90/1127221690.db2.gz DIWBYQPFRMVPLM-LSDHHAIUSA-N 1 2 343.477 3.624 20 30 EHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000083168622 1127221694 /nfs/dbraw/zinc/22/16/94/1127221694.db2.gz DIWBYQPFRMVPLM-LSDHHAIUSA-N 1 2 343.477 3.624 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000083423531 1127293400 /nfs/dbraw/zinc/29/34/00/1127293400.db2.gz DUYVPNXOCSOBPC-UHFFFAOYSA-N 1 2 343.427 3.577 20 30 EHEDLO Cn1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccc(Cl)cc2)n1 ZINC000542672272 1128448610 /nfs/dbraw/zinc/44/86/10/1128448610.db2.gz XNDIGJDFQRCMRI-LJQANCHMSA-N 1 2 336.826 3.824 20 30 EHEDLO N#Cc1cc(F)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000301091538 1128572957 /nfs/dbraw/zinc/57/29/57/1128572957.db2.gz HXVFVEPEWQRWCC-UHFFFAOYSA-N 1 2 328.297 3.773 20 30 EHEDLO N#Cc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C(F)(F)F ZINC000301774010 1128605103 /nfs/dbraw/zinc/60/51/03/1128605103.db2.gz MWJVEDWPWKSSQD-AWEZNQCLSA-N 1 2 332.329 3.663 20 30 EHEDLO C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001660360617 1120107787 /nfs/dbraw/zinc/10/77/87/1120107787.db2.gz ADDYFEPDNFVFCP-SNVBAGLBSA-N 1 2 328.637 3.653 20 30 EHEDLO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001660360617 1120107788 /nfs/dbraw/zinc/10/77/88/1120107788.db2.gz ADDYFEPDNFVFCP-SNVBAGLBSA-N 1 2 328.637 3.653 20 30 EHEDLO CC[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)C[C@H](C)C#N ZINC000186903609 1120478947 /nfs/dbraw/zinc/47/89/47/1120478947.db2.gz OZCIWKOVHYPEFH-OAHLLOKOSA-N 1 2 327.403 3.781 20 30 EHEDLO CC[N@H+](Cc1ccc(OCc2ccccc2F)nc1)C[C@H](C)C#N ZINC000186903609 1120478952 /nfs/dbraw/zinc/47/89/52/1120478952.db2.gz OZCIWKOVHYPEFH-OAHLLOKOSA-N 1 2 327.403 3.781 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCOC3CCCCCC3)CCO2)c1 ZINC000761758772 1120891836 /nfs/dbraw/zinc/89/18/36/1120891836.db2.gz ASCDUNNLVSOHLF-HXUWFJFHSA-N 1 2 328.456 3.671 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOC3CCCCCC3)CCO2)c1 ZINC000761758772 1120891838 /nfs/dbraw/zinc/89/18/38/1120891838.db2.gz ASCDUNNLVSOHLF-HXUWFJFHSA-N 1 2 328.456 3.671 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCc3ccccc3[C@H]2CC)c1=S ZINC000153255188 1120919433 /nfs/dbraw/zinc/91/94/33/1120919433.db2.gz LFGASSLVZFRVDS-QGZVFWFLSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCc3ccccc3[C@H]2CC)c1=S ZINC000153255188 1120919435 /nfs/dbraw/zinc/91/94/35/1120919435.db2.gz LFGASSLVZFRVDS-QGZVFWFLSA-N 1 2 328.485 3.875 20 30 EHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000092486005 1121675137 /nfs/dbraw/zinc/67/51/37/1121675137.db2.gz UOWBFFZWOBGQKK-UHFFFAOYSA-N 1 2 334.423 3.894 20 30 EHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000092486005 1121675143 /nfs/dbraw/zinc/67/51/43/1121675143.db2.gz UOWBFFZWOBGQKK-UHFFFAOYSA-N 1 2 334.423 3.894 20 30 EHEDLO C=CCc1ccc(OC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(OC)c1 ZINC000916373749 1122133790 /nfs/dbraw/zinc/13/37/90/1122133790.db2.gz RABLBXAUIPPJGJ-UHFFFAOYSA-N 1 2 348.402 3.888 20 30 EHEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CCCCC1 ZINC000917094249 1122495339 /nfs/dbraw/zinc/49/53/39/1122495339.db2.gz OFHPGUYFGZJRBG-HNNXBMFYSA-N 1 2 341.480 3.985 20 30 EHEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CCCCC1 ZINC000917094249 1122495342 /nfs/dbraw/zinc/49/53/42/1122495342.db2.gz OFHPGUYFGZJRBG-HNNXBMFYSA-N 1 2 341.480 3.985 20 30 EHEDLO NC(=[NH+]OCc1ccc(Cl)c2cccnc12)c1ccc(F)cc1 ZINC000917394473 1122590853 /nfs/dbraw/zinc/59/08/53/1122590853.db2.gz WRGRZSCZVDRFBW-UHFFFAOYSA-N 1 2 329.762 3.864 20 30 EHEDLO C=C[C@@H](CC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000133703373 1123419645 /nfs/dbraw/zinc/41/96/45/1123419645.db2.gz XVIVGFZBRBDVAC-FQEVSTJZSA-N 1 2 345.446 3.908 20 30 EHEDLO C[C@@](CO)([NH2+]Cc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000609799765 1123664369 /nfs/dbraw/zinc/66/43/69/1123664369.db2.gz IAVCXWFDTGEIOG-KRWDZBQOSA-N 1 2 334.341 3.574 20 30 EHEDLO N#Cc1ccc(OCc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000421847089 1129178229 /nfs/dbraw/zinc/17/82/29/1129178229.db2.gz VXLVWTTVIYHVTQ-UHFFFAOYSA-N 1 2 342.826 3.623 20 30 EHEDLO CC[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000735311799 1131334692 /nfs/dbraw/zinc/33/46/92/1131334692.db2.gz VTIXUYSWOAMFNE-CABCVRRESA-N 1 2 341.480 3.985 20 30 EHEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccs1 ZINC000070741644 1125375946 /nfs/dbraw/zinc/37/59/46/1125375946.db2.gz JGAZUAIWGCUHEH-UHFFFAOYSA-N 1 2 337.448 3.931 20 30 EHEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccs1 ZINC000070741644 1125375950 /nfs/dbraw/zinc/37/59/50/1125375950.db2.gz JGAZUAIWGCUHEH-UHFFFAOYSA-N 1 2 337.448 3.931 20 30 EHEDLO C=CCN1CC[C@H]([NH2+]C2(c3c(Cl)cccc3Cl)CCC2)C1=O ZINC000499732651 1129429555 /nfs/dbraw/zinc/42/95/55/1129429555.db2.gz MJTDVHZQNPBDSZ-AWEZNQCLSA-N 1 2 339.266 3.749 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1OC ZINC000922527891 1129562949 /nfs/dbraw/zinc/56/29/49/1129562949.db2.gz ZWLYUYSZTBUEMN-OXJNMPFZSA-N 1 2 343.398 3.821 20 30 EHEDLO CC(=O)c1ccc(C#N)cc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000347858824 1129936526 /nfs/dbraw/zinc/93/65/26/1129936526.db2.gz HLGQBSKWLGOZEK-UHFFFAOYSA-N 1 2 336.439 3.654 20 30 EHEDLO Cc1cc(C=NNc2cc[nH+]c3ccccc23)c(C)n1C[C@H]1CCCO1 ZINC000730146635 1130678230 /nfs/dbraw/zinc/67/82/30/1130678230.db2.gz CJXADYKIDUMVIW-GOSISDBHSA-N 1 2 348.450 3.700 20 30 EHEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)cc(Cl)c1OC ZINC000730147776 1130679012 /nfs/dbraw/zinc/67/90/12/1130679012.db2.gz JUDOWVLDSBNFDW-UHFFFAOYSA-N 1 2 341.798 3.773 20 30 EHEDLO Brc1ccc(C=NNc2cc[nH+]c3ccccc23)s1 ZINC000730147450 1130679166 /nfs/dbraw/zinc/67/91/66/1130679166.db2.gz OIJATSDLPBKEPW-UHFFFAOYSA-N 1 2 332.226 3.927 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000731488820 1130802552 /nfs/dbraw/zinc/80/25/52/1130802552.db2.gz RAMKKUIOIBBYGP-BAOGCXAUSA-N 1 2 345.443 3.764 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000731488820 1130802559 /nfs/dbraw/zinc/80/25/59/1130802559.db2.gz RAMKKUIOIBBYGP-BAOGCXAUSA-N 1 2 345.443 3.764 20 30 EHEDLO O=C1c2sc(-c3ccccc3F)nc2CC/C1=C/c1[nH]cc[nH+]1 ZINC000731937198 1130867334 /nfs/dbraw/zinc/86/73/34/1130867334.db2.gz HFWIKEXZOCELNC-KTKRTIGZSA-N 1 2 325.368 3.885 20 30 EHEDLO CSCC[C@@H](C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000736319124 1131416381 /nfs/dbraw/zinc/41/63/81/1131416381.db2.gz USFYFHKYYCQQTC-OLZOCXBDSA-N 1 2 347.509 3.546 20 30 EHEDLO CSCC[C@@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000736319124 1131416385 /nfs/dbraw/zinc/41/63/85/1131416385.db2.gz USFYFHKYYCQQTC-OLZOCXBDSA-N 1 2 347.509 3.546 20 30 EHEDLO Cc1cccn2c(/C=C3\S/C(=N/C4CCCCC4)NC3=O)c[nH+]c12 ZINC000741471436 1131605899 /nfs/dbraw/zinc/60/58/99/1131605899.db2.gz MAXDFUXWXQEPJT-GDNBJRDFSA-N 1 2 340.452 3.535 20 30 EHEDLO COc1c(Br)ccc(Nc2ccc(N(C)C)[nH+]c2)c1C#N ZINC001175344452 1132627489 /nfs/dbraw/zinc/62/74/89/1132627489.db2.gz TZSCVYMOXLGQTG-UHFFFAOYSA-N 1 2 347.216 3.534 20 30 EHEDLO CN(C)c1ccc(Nc2ccc(Br)c(F)c2C#N)c[nH+]1 ZINC001175346666 1132629414 /nfs/dbraw/zinc/62/94/14/1132629414.db2.gz WWWNFRJGGHQEPO-UHFFFAOYSA-N 1 2 335.180 3.664 20 30 EHEDLO Nc1cc(C(F)(F)F)c(Nc2cc(F)c(F)c(F)c2F)c[nH+]1 ZINC001175713084 1132740525 /nfs/dbraw/zinc/74/05/25/1132740525.db2.gz PENGVQVKHWNQLK-UHFFFAOYSA-N 1 2 325.187 3.983 20 30 EHEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001176815910 1133001710 /nfs/dbraw/zinc/00/17/10/1133001710.db2.gz YNKRPVRZPIESJR-WFASDCNBSA-N 1 2 345.443 3.927 20 30 EHEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001176815910 1133001716 /nfs/dbraw/zinc/00/17/16/1133001716.db2.gz YNKRPVRZPIESJR-WFASDCNBSA-N 1 2 345.443 3.927 20 30 EHEDLO CCCC[C@@H](ON=C(C)C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767750119 1133046699 /nfs/dbraw/zinc/04/66/99/1133046699.db2.gz FOOMZIMSIUYVFO-GOSISDBHSA-N 1 2 343.427 3.887 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc3cc(F)ccc3o2)c1 ZINC000768915336 1133202440 /nfs/dbraw/zinc/20/24/40/1133202440.db2.gz GNOHGSPVECSPNR-UHFFFAOYSA-N 1 2 336.366 3.624 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc3cc(F)ccc3o2)c1 ZINC000768915336 1133202445 /nfs/dbraw/zinc/20/24/45/1133202445.db2.gz GNOHGSPVECSPNR-UHFFFAOYSA-N 1 2 336.366 3.624 20 30 EHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000768995298 1133218472 /nfs/dbraw/zinc/21/84/72/1133218472.db2.gz JHQLMZBGRDZLNU-HNNXBMFYSA-N 1 2 345.834 3.645 20 30 EHEDLO CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1 ZINC000769607376 1133320922 /nfs/dbraw/zinc/32/09/22/1133320922.db2.gz JRMSKWBIPYECPK-ZHACJKMWSA-N 1 2 348.406 3.760 20 30 EHEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000769978048 1133371697 /nfs/dbraw/zinc/37/16/97/1133371697.db2.gz ODZJYDNOYXMHNZ-OAHLLOKOSA-N 1 2 341.480 3.627 20 30 EHEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000769978048 1133371703 /nfs/dbraw/zinc/37/17/03/1133371703.db2.gz ODZJYDNOYXMHNZ-OAHLLOKOSA-N 1 2 341.480 3.627 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CC1 ZINC000772381768 1133680870 /nfs/dbraw/zinc/68/08/70/1133680870.db2.gz LKBPSXKIGHOACI-UHFFFAOYSA-N 1 2 340.246 3.711 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CC1 ZINC000772381768 1133680875 /nfs/dbraw/zinc/68/08/75/1133680875.db2.gz LKBPSXKIGHOACI-UHFFFAOYSA-N 1 2 340.246 3.711 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000746624217 1133943010 /nfs/dbraw/zinc/94/30/10/1133943010.db2.gz IXPVXFSWZUUKJD-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000746624217 1133943017 /nfs/dbraw/zinc/94/30/17/1133943017.db2.gz IXPVXFSWZUUKJD-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO CC#CCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788251480 1134101438 /nfs/dbraw/zinc/10/14/38/1134101438.db2.gz XFRXAAFDQYJWIO-MRXNPFEDSA-N 1 2 327.472 3.625 20 30 EHEDLO CC#CCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788251480 1134101442 /nfs/dbraw/zinc/10/14/42/1134101442.db2.gz XFRXAAFDQYJWIO-MRXNPFEDSA-N 1 2 327.472 3.625 20 30 EHEDLO CCCCCCCCC/C=C/C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001170101790 1134255358 /nfs/dbraw/zinc/25/53/58/1134255358.db2.gz MAHHWPJMVZCHOQ-CVTTXWKISA-N 1 2 346.519 3.590 20 30 EHEDLO C=CCN(c1ncnc2c1C[N@H+](Cc1ccccc1)CC2)C(C)(C)C ZINC001157582850 1134532217 /nfs/dbraw/zinc/53/22/17/1134532217.db2.gz GXGRMVCBYMZDKH-UHFFFAOYSA-N 1 2 336.483 3.826 20 30 EHEDLO C=CCN(c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)C(C)(C)C ZINC001157582850 1134532221 /nfs/dbraw/zinc/53/22/21/1134532221.db2.gz GXGRMVCBYMZDKH-UHFFFAOYSA-N 1 2 336.483 3.826 20 30 EHEDLO C#CC[C@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1ccccc1 ZINC000775401725 1134727734 /nfs/dbraw/zinc/72/77/34/1134727734.db2.gz YOIDXWSVAZSKJN-INIZCTEOSA-N 1 2 343.386 3.936 20 30 EHEDLO C#CC[N@@H+](CC1(F)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000792822871 1134795873 /nfs/dbraw/zinc/79/58/73/1134795873.db2.gz NXJVXVUQBDLOAS-CQSZACIVSA-N 1 2 338.220 3.710 20 30 EHEDLO C#CC[N@H+](CC1(F)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000792822871 1134795878 /nfs/dbraw/zinc/79/58/78/1134795878.db2.gz NXJVXVUQBDLOAS-CQSZACIVSA-N 1 2 338.220 3.710 20 30 EHEDLO N#Cc1ccc(F)c(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000793001865 1134836978 /nfs/dbraw/zinc/83/69/78/1134836978.db2.gz RVBFMJGGQPURFC-UHFFFAOYSA-N 1 2 337.167 3.889 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2Oc2ccc(C)cc2)CC1 ZINC001193070062 1135093705 /nfs/dbraw/zinc/09/37/05/1135093705.db2.gz UOEAIYKGBVLWGT-UHFFFAOYSA-N 1 2 336.435 3.731 20 30 EHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000805798763 1135334773 /nfs/dbraw/zinc/33/47/73/1135334773.db2.gz RPKPYRWZPJMENT-YOEHRIQHSA-N 1 2 348.874 3.679 20 30 EHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000805798763 1135334782 /nfs/dbraw/zinc/33/47/82/1135334782.db2.gz RPKPYRWZPJMENT-YOEHRIQHSA-N 1 2 348.874 3.679 20 30 EHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)NC(C)(C)c2ccc(C#N)cc2)c1 ZINC001194906989 1135338956 /nfs/dbraw/zinc/33/89/56/1135338956.db2.gz KBALPHAOHCTCES-UHFFFAOYSA-N 1 2 344.418 3.624 20 30 EHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001196769764 1135612953 /nfs/dbraw/zinc/61/29/53/1135612953.db2.gz AVWJRJKZCVGQBA-HOCLYGCPSA-N 1 2 348.874 3.679 20 30 EHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC#Cc1ccccc1Cl ZINC001196769764 1135612955 /nfs/dbraw/zinc/61/29/55/1135612955.db2.gz AVWJRJKZCVGQBA-HOCLYGCPSA-N 1 2 348.874 3.679 20 30 EHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)o2)cc1 ZINC001197393865 1135683763 /nfs/dbraw/zinc/68/37/63/1135683763.db2.gz MHLODZYJKZRUMN-UHFFFAOYSA-N 1 2 346.390 3.561 20 30 EHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)o2)cc1 ZINC001197393865 1135683767 /nfs/dbraw/zinc/68/37/67/1135683767.db2.gz MHLODZYJKZRUMN-UHFFFAOYSA-N 1 2 346.390 3.561 20 30 EHEDLO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000775785994 1135734223 /nfs/dbraw/zinc/73/42/23/1135734223.db2.gz RBQJVGLVNGQTIF-VNHYZAJKSA-N 1 2 327.453 3.593 20 30 EHEDLO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000775785994 1135734228 /nfs/dbraw/zinc/73/42/28/1135734228.db2.gz RBQJVGLVNGQTIF-VNHYZAJKSA-N 1 2 327.453 3.593 20 30 EHEDLO C#C[C@H](NC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccc(Cl)cc1 ZINC000810178049 1135934226 /nfs/dbraw/zinc/93/42/26/1135934226.db2.gz LTFIOUAYUIASRP-INIZCTEOSA-N 1 2 338.798 3.792 20 30 EHEDLO N#Cc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)c(F)c1 ZINC001201561668 1136041399 /nfs/dbraw/zinc/04/13/99/1136041399.db2.gz NQNFAJAINJCUSF-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO Cc1cc(Cl)cc2c1O/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000811696695 1136126774 /nfs/dbraw/zinc/12/67/74/1136126774.db2.gz GTDBPOSCIFWTJH-AWNIVKPZSA-N 1 2 334.828 3.783 20 30 EHEDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000852637657 1136472682 /nfs/dbraw/zinc/47/26/82/1136472682.db2.gz DZHHUJRZBUYWPO-AWEZNQCLSA-N 1 2 334.847 3.776 20 30 EHEDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000852637657 1136472683 /nfs/dbraw/zinc/47/26/83/1136472683.db2.gz DZHHUJRZBUYWPO-AWEZNQCLSA-N 1 2 334.847 3.776 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)C[C@H](O)c1cccs1 ZINC000853456346 1136533839 /nfs/dbraw/zinc/53/38/39/1136533839.db2.gz PQFSPYKXYHPASD-GJZGRUSLSA-N 1 2 330.453 3.859 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000853536478 1136542218 /nfs/dbraw/zinc/54/22/18/1136542218.db2.gz UQIYWCDJNCSAOD-OAHLLOKOSA-N 1 2 328.485 3.864 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3)n(C)c2=S)C1 ZINC000853536478 1136542219 /nfs/dbraw/zinc/54/22/19/1136542219.db2.gz UQIYWCDJNCSAOD-OAHLLOKOSA-N 1 2 328.485 3.864 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)C1 ZINC000853537537 1136542229 /nfs/dbraw/zinc/54/22/29/1136542229.db2.gz ZGEWNPXFQBKLGJ-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3cccnc3)n(CC)c2=S)C1 ZINC000853537537 1136542231 /nfs/dbraw/zinc/54/22/31/1136542231.db2.gz ZGEWNPXFQBKLGJ-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CC[N@H+](CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1)[C@@H](C)COC ZINC000853534252 1136542559 /nfs/dbraw/zinc/54/25/59/1136542559.db2.gz HSYXAYALGCURCQ-PKOBYXMFSA-N 1 2 342.483 3.611 20 30 EHEDLO C=CC[N@@H+](CN1C(=O)C2(CCCC2)[C@H]1c1ccccc1)[C@@H](C)COC ZINC000853534252 1136542562 /nfs/dbraw/zinc/54/25/62/1136542562.db2.gz HSYXAYALGCURCQ-PKOBYXMFSA-N 1 2 342.483 3.611 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000853599433 1136548074 /nfs/dbraw/zinc/54/80/74/1136548074.db2.gz PXNBQPLYEFNCMX-OKILXGFUSA-N 1 2 344.459 3.898 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000853599433 1136548079 /nfs/dbraw/zinc/54/80/79/1136548079.db2.gz PXNBQPLYEFNCMX-OKILXGFUSA-N 1 2 344.459 3.898 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000853666717 1136553957 /nfs/dbraw/zinc/55/39/57/1136553957.db2.gz RAYBPIXAWPSLQM-PKOBYXMFSA-N 1 2 337.423 3.601 20 30 EHEDLO C#CCCOc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC001136185832 1136911447 /nfs/dbraw/zinc/91/14/47/1136911447.db2.gz QFPZFIWYVDGKQV-UHFFFAOYSA-N 1 2 331.375 3.527 20 30 EHEDLO CCCOc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794696177 1137235355 /nfs/dbraw/zinc/23/53/55/1137235355.db2.gz CQMUJVASYIKYLK-MDZDMXLPSA-N 1 2 330.453 3.890 20 30 EHEDLO Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](Cc3cncc(C#N)c3)C2)c1 ZINC001144080136 1137237225 /nfs/dbraw/zinc/23/72/25/1137237225.db2.gz WJVBTHWHSYAQCT-KRWDZBQOSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1ccc(Cl)c(O[C@H]2CCC[N@@H+](Cc3cncc(C#N)c3)C2)c1 ZINC001144080136 1137237226 /nfs/dbraw/zinc/23/72/26/1137237226.db2.gz WJVBTHWHSYAQCT-KRWDZBQOSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1cc(Cl)cc2c1OC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000794708242 1137239903 /nfs/dbraw/zinc/23/99/03/1137239903.db2.gz QQYGTAFZXGZAII-WZUFQYTHSA-N 1 2 348.855 3.825 20 30 EHEDLO N#Cc1cccc(C2CC[NH+](Cc3n[nH]c4ccc(F)cc43)CC2)c1 ZINC001144199558 1137250307 /nfs/dbraw/zinc/25/03/07/1137250307.db2.gz MSGIOIARCRNKAI-UHFFFAOYSA-N 1 2 334.398 3.953 20 30 EHEDLO C[C@H]1CCN(c2c(Br)cccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000865613568 1137298807 /nfs/dbraw/zinc/29/88/07/1137298807.db2.gz YBWJFHISVKSMEC-WFASDCNBSA-N 1 2 345.244 3.605 20 30 EHEDLO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866310286 1137344254 /nfs/dbraw/zinc/34/42/54/1137344254.db2.gz FZCXAOFEULIEDI-HLIUYOAVSA-N 1 2 344.455 3.815 20 30 EHEDLO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cccc(C#N)c1O ZINC000866311255 1137344549 /nfs/dbraw/zinc/34/45/49/1137344549.db2.gz YUEFIPFBQKWRNO-BEFAXECRSA-N 1 2 338.451 3.717 20 30 EHEDLO C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cccc(C#N)c1O ZINC000866365823 1137349554 /nfs/dbraw/zinc/34/95/54/1137349554.db2.gz YPVNTUWYNHDFKN-LLVKDONJSA-N 1 2 335.329 3.571 20 30 EHEDLO CN(c1ccc(Nc2cc(C#N)c(C#N)cc2N)c[nH+]1)C1CCCCC1 ZINC001212615466 1137389929 /nfs/dbraw/zinc/38/99/29/1137389929.db2.gz ZFGXNTQVQVCJJX-UHFFFAOYSA-N 1 2 346.438 3.920 20 30 EHEDLO C=CC[C@@](C)([NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)OC ZINC001171962956 1137520135 /nfs/dbraw/zinc/52/01/35/1137520135.db2.gz GUZFLYKGUYZHNB-MLGOLLRUSA-N 1 2 329.362 3.734 20 30 EHEDLO Fc1ccc(C(F)(F)C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c(F)c1 ZINC000872108357 1137571637 /nfs/dbraw/zinc/57/16/37/1137571637.db2.gz ZFAJJPAJGWVIRD-CABZTGNLSA-N 1 2 345.258 3.756 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000876770301 1137660740 /nfs/dbraw/zinc/66/07/40/1137660740.db2.gz CFJWJMIVCBOUGI-KRWDZBQOSA-N 1 2 326.831 3.683 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000876770301 1137660741 /nfs/dbraw/zinc/66/07/41/1137660741.db2.gz CFJWJMIVCBOUGI-KRWDZBQOSA-N 1 2 326.831 3.683 20 30 EHEDLO Cn1ccc(-c2nc(C[NH2+][C@@H](CCC#N)c3ccccc3)cs2)n1 ZINC000878375953 1137713406 /nfs/dbraw/zinc/71/34/06/1137713406.db2.gz LGZOEIOYUQPUQQ-INIZCTEOSA-N 1 2 337.452 3.678 20 30 EHEDLO Cc1ccccc1CC(N)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000128101026 1137762935 /nfs/dbraw/zinc/76/29/35/1137762935.db2.gz KVNATHBCRWZAKL-UHFFFAOYSA-N 1 2 338.436 3.545 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111307156 1137904046 /nfs/dbraw/zinc/90/40/46/1137904046.db2.gz CMLRXBCTCMOQLU-AWEZNQCLSA-N 1 2 345.855 3.701 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111307156 1137904047 /nfs/dbraw/zinc/90/40/47/1137904047.db2.gz CMLRXBCTCMOQLU-AWEZNQCLSA-N 1 2 345.855 3.701 20 30 EHEDLO C#CC[C@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000886359918 1138070864 /nfs/dbraw/zinc/07/08/64/1138070864.db2.gz LZPBCMBDWWJXRC-LBPRGKRZSA-N 1 2 339.420 3.502 20 30 EHEDLO C#CC[C@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000886359918 1138070867 /nfs/dbraw/zinc/07/08/67/1138070867.db2.gz LZPBCMBDWWJXRC-LBPRGKRZSA-N 1 2 339.420 3.502 20 30 EHEDLO C[NH+](C)[C@@H](CNc1snc(Cl)c1C#N)c1c(F)cccc1F ZINC000265190023 1138760263 /nfs/dbraw/zinc/76/02/63/1138760263.db2.gz KQSIOMGKVUXRBS-NSHDSACASA-N 1 2 342.802 3.661 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)OCc3ccc(C4(C#N)CC4)cc3)ccn12 ZINC000889880516 1139278432 /nfs/dbraw/zinc/27/84/32/1139278432.db2.gz ZNBGARXRBYNWCG-UHFFFAOYSA-N 1 2 331.375 3.555 20 30 EHEDLO C=CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccc(Cl)s1 ZINC000184971884 1140128610 /nfs/dbraw/zinc/12/86/10/1140128610.db2.gz MXTOWXDOIWLDCE-UHFFFAOYSA-N 1 2 348.859 3.978 20 30 EHEDLO C=CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccc(Cl)s1 ZINC000184971884 1140128611 /nfs/dbraw/zinc/12/86/11/1140128611.db2.gz MXTOWXDOIWLDCE-UHFFFAOYSA-N 1 2 348.859 3.978 20 30 EHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000267571721 1140805166 /nfs/dbraw/zinc/80/51/66/1140805166.db2.gz DIWBYQPFRMVPLM-CABCVRRESA-N 1 2 343.477 3.624 20 30 EHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000267571721 1140805174 /nfs/dbraw/zinc/80/51/74/1140805174.db2.gz DIWBYQPFRMVPLM-CABCVRRESA-N 1 2 343.477 3.624 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1F ZINC000339224038 1141533269 /nfs/dbraw/zinc/53/32/69/1141533269.db2.gz WQJDQJWBJICQKE-HNNXBMFYSA-N 1 2 346.471 3.922 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1F ZINC000339224038 1141533272 /nfs/dbraw/zinc/53/32/72/1141533272.db2.gz WQJDQJWBJICQKE-HNNXBMFYSA-N 1 2 346.471 3.922 20 30 EHEDLO C=CC[NH+]1CCN(C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001165032442 721868283 /nfs/dbraw/zinc/86/82/83/721868283.db2.gz SIBLQSZVSFRSEX-UHFFFAOYSA-N 1 2 337.801 3.741 20 30 EHEDLO CCOCC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC001141814847 1024580823 /nfs/dbraw/zinc/58/08/23/1024580823.db2.gz RVOXSTLVMLEAAR-UHFFFAOYSA-N 1 2 337.261 3.569 20 30 EHEDLO C#C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001625821762 1015681701 /nfs/dbraw/zinc/68/17/01/1015681701.db2.gz TWSHLDHNRJZGOD-DLBZAZTESA-N 1 2 329.831 3.614 20 30 EHEDLO C=CC(C)(C)CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001266484639 1016984422 /nfs/dbraw/zinc/98/44/22/1016984422.db2.gz FQZGPRKDZOHILU-SFHVURJKSA-N 1 2 325.456 3.960 20 30 EHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1c1ccsc1 ZINC000328661129 1017018507 /nfs/dbraw/zinc/01/85/07/1017018507.db2.gz WNDRIGZVMUTYEZ-MRXNPFEDSA-N 1 2 344.484 3.575 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3ncccc3Cl)CC2)c1 ZINC000528371434 1032206284 /nfs/dbraw/zinc/20/62/84/1032206284.db2.gz ILNFEQAHVWEMKR-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CCCc3ccccc32)c1=S ZINC000023611864 1017171721 /nfs/dbraw/zinc/17/17/21/1017171721.db2.gz DAENTVLCBHSPAU-KRWDZBQOSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CCCc3ccccc32)c1=S ZINC000023611864 1017171726 /nfs/dbraw/zinc/17/17/26/1017171726.db2.gz DAENTVLCBHSPAU-KRWDZBQOSA-N 1 2 328.485 3.875 20 30 EHEDLO C[C@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)n1cc[nH+]c1 ZINC001126390445 1019387395 /nfs/dbraw/zinc/38/73/95/1019387395.db2.gz TZDKDYGCRZNODA-CQSZACIVSA-N 1 2 347.378 3.532 20 30 EHEDLO CC[C@@H](CC#N)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000280724800 1020613833 /nfs/dbraw/zinc/61/38/33/1020613833.db2.gz CLNZTEMJVLLEAB-HNNXBMFYSA-N 1 2 337.427 3.700 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@H+](CCC#N)C(C)C)o2)cc1 ZINC000548171968 1020898978 /nfs/dbraw/zinc/89/89/78/1020898978.db2.gz ZLIIBCUHTGWONY-UHFFFAOYSA-N 1 2 326.396 3.857 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@@H+](CCC#N)C(C)C)o2)cc1 ZINC000548171968 1020898983 /nfs/dbraw/zinc/89/89/83/1020898983.db2.gz ZLIIBCUHTGWONY-UHFFFAOYSA-N 1 2 326.396 3.857 20 30 EHEDLO COc1ccc(C(N)=[NH+]OCc2cc3ccccc3nc2Cl)cc1 ZINC000760433960 1032951170 /nfs/dbraw/zinc/95/11/70/1032951170.db2.gz AOWDDGJAJWKIFH-UHFFFAOYSA-N 1 2 341.798 3.734 20 30 EHEDLO O[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000353682706 1021273509 /nfs/dbraw/zinc/27/35/09/1021273509.db2.gz DJMJSBNRAPLQDH-LBPRGKRZSA-N 1 2 345.258 3.734 20 30 EHEDLO O[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000353682706 1021273523 /nfs/dbraw/zinc/27/35/23/1021273523.db2.gz DJMJSBNRAPLQDH-LBPRGKRZSA-N 1 2 345.258 3.734 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000518678502 1021430219 /nfs/dbraw/zinc/43/02/19/1021430219.db2.gz YINTXEOAPKRBDA-LJQANCHMSA-N 1 2 344.455 3.745 20 30 EHEDLO N#CCCCCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425674951 1021468635 /nfs/dbraw/zinc/46/86/35/1021468635.db2.gz PRMPLXUHZYZSQO-UHFFFAOYSA-N 1 2 337.427 3.702 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(Br)cc1 ZINC000894869779 1021542599 /nfs/dbraw/zinc/54/25/99/1021542599.db2.gz DLINAOVTLMQCRH-INIZCTEOSA-N 1 2 346.272 3.865 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000550306388 1021566496 /nfs/dbraw/zinc/56/64/96/1021566496.db2.gz YFCYBDBIDLBKHP-ZFWWWQNUSA-N 1 2 342.487 3.761 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)c1C#N ZINC000550306388 1021566505 /nfs/dbraw/zinc/56/65/05/1021566505.db2.gz YFCYBDBIDLBKHP-ZFWWWQNUSA-N 1 2 342.487 3.761 20 30 EHEDLO CC1(C#N)CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000506011406 1021697315 /nfs/dbraw/zinc/69/73/15/1021697315.db2.gz ALURRUPDXBXBGN-IBGZPJMESA-N 1 2 333.435 3.992 20 30 EHEDLO CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 ZINC000018936197 1022049011 /nfs/dbraw/zinc/04/90/11/1022049011.db2.gz NCPQONQIGUEEGR-UHFFFAOYSA-N 1 2 339.873 3.795 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 ZINC000018936197 1022049020 /nfs/dbraw/zinc/04/90/20/1022049020.db2.gz NCPQONQIGUEEGR-UHFFFAOYSA-N 1 2 339.873 3.795 20 30 EHEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000602643781 1033035404 /nfs/dbraw/zinc/03/54/04/1033035404.db2.gz KYGKBALUIZWAGO-GJZGRUSLSA-N 1 2 346.475 3.867 20 30 EHEDLO CC(C)(C)c1coc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000891722204 1022462747 /nfs/dbraw/zinc/46/27/47/1022462747.db2.gz UNBDXMJQYYXFMJ-UHFFFAOYSA-N 1 2 339.439 3.887 20 30 EHEDLO C[C@@]1(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CC1(Cl)Cl ZINC000933627878 1022476522 /nfs/dbraw/zinc/47/65/22/1022476522.db2.gz GZZKWFQQKZQGFX-GJZGRUSLSA-N 1 2 325.239 3.515 20 30 EHEDLO C[C@@]1(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CC1(Cl)Cl ZINC000933627878 1022476527 /nfs/dbraw/zinc/47/65/27/1022476527.db2.gz GZZKWFQQKZQGFX-GJZGRUSLSA-N 1 2 325.239 3.515 20 30 EHEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1coc(C2CCCC2)n1 ZINC000328838640 1022510735 /nfs/dbraw/zinc/51/07/35/1022510735.db2.gz YHLJGIJAVOJGDB-UHFFFAOYSA-N 1 2 340.427 3.701 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000303738376 1022522676 /nfs/dbraw/zinc/52/26/76/1022522676.db2.gz YDZFXVPJAQHTEL-ZIAGYGMSSA-N 1 2 336.526 3.729 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000303738376 1022522678 /nfs/dbraw/zinc/52/26/78/1022522678.db2.gz YDZFXVPJAQHTEL-ZIAGYGMSSA-N 1 2 336.526 3.729 20 30 EHEDLO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330980181 1022726375 /nfs/dbraw/zinc/72/63/75/1022726375.db2.gz VAQLIBYEIMILQO-CYBMUJFWSA-N 1 2 349.431 3.506 20 30 EHEDLO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330980181 1022726389 /nfs/dbraw/zinc/72/63/89/1022726389.db2.gz VAQLIBYEIMILQO-CYBMUJFWSA-N 1 2 349.431 3.506 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430942720 1022912342 /nfs/dbraw/zinc/91/23/42/1022912342.db2.gz DOGCYNXGSVXHCQ-NRFANRHFSA-N 1 2 338.426 3.921 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430942720 1022912355 /nfs/dbraw/zinc/91/23/55/1022912355.db2.gz DOGCYNXGSVXHCQ-NRFANRHFSA-N 1 2 338.426 3.921 20 30 EHEDLO CSc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)s1 ZINC000438850369 1023089249 /nfs/dbraw/zinc/08/92/49/1023089249.db2.gz HMIPXUQSZUYJPD-KRWDZBQOSA-N 1 2 343.521 3.852 20 30 EHEDLO COC(=O)c1cc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)oc1C ZINC000426367594 1023106444 /nfs/dbraw/zinc/10/64/44/1023106444.db2.gz XZEBKUIEUHOQKW-UHFFFAOYSA-N 1 2 331.799 3.512 20 30 EHEDLO COC(=O)c1cc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)oc1C ZINC000426367594 1023106448 /nfs/dbraw/zinc/10/64/48/1023106448.db2.gz XZEBKUIEUHOQKW-UHFFFAOYSA-N 1 2 331.799 3.512 20 30 EHEDLO CC(C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(F)c1 ZINC000341818463 1023380923 /nfs/dbraw/zinc/38/09/23/1023380923.db2.gz CWKZXUGQACVDEW-UHFFFAOYSA-N 1 2 336.370 3.772 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000594010469 1033157430 /nfs/dbraw/zinc/15/74/30/1033157430.db2.gz JJVFVTXTEMSDHJ-KRWDZBQOSA-N 1 2 348.450 3.601 20 30 EHEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000341993614 1023746577 /nfs/dbraw/zinc/74/65/77/1023746577.db2.gz RJFZFXAOKXLGGS-HNNXBMFYSA-N 1 2 325.412 3.655 20 30 EHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341993473 1023747030 /nfs/dbraw/zinc/74/70/30/1023747030.db2.gz QTIIRLVLIWSOLE-GFCCVEGCSA-N 1 2 339.361 3.550 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1cccc(C#N)c1 ZINC000063300784 1033172376 /nfs/dbraw/zinc/17/23/76/1033172376.db2.gz SGGSKHWFQZJBDG-UHFFFAOYSA-N 1 2 349.434 3.502 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1cccc(C#N)c1 ZINC000063300784 1033172386 /nfs/dbraw/zinc/17/23/86/1033172386.db2.gz SGGSKHWFQZJBDG-UHFFFAOYSA-N 1 2 349.434 3.502 20 30 EHEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC1 ZINC000449757714 1033175098 /nfs/dbraw/zinc/17/50/98/1033175098.db2.gz SVPKNBHTCMMNFR-UHFFFAOYSA-N 1 2 327.472 3.825 20 30 EHEDLO C=C(C)CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000505455979 1024248126 /nfs/dbraw/zinc/24/81/26/1024248126.db2.gz SWHORTMICIUYQI-UHFFFAOYSA-N 1 2 328.485 3.921 20 30 EHEDLO Cc1cn2cc(NC(=O)NC[C@@H]3CCC4(CCCCC4)O3)ccc2[nH+]1 ZINC000330167378 1024340565 /nfs/dbraw/zinc/34/05/65/1024340565.db2.gz YXGKZXSRFFFRKR-INIZCTEOSA-N 1 2 342.443 3.851 20 30 EHEDLO CCC1CCC(N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)CC1 ZINC000330280730 1024382820 /nfs/dbraw/zinc/38/28/20/1024382820.db2.gz SWPINEBQPXNISP-HWOWSKLDSA-N 1 2 330.476 3.545 20 30 EHEDLO C=CCOc1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000434980568 1024528508 /nfs/dbraw/zinc/52/85/08/1024528508.db2.gz AJFRRIROWIFLFQ-NRFANRHFSA-N 1 2 347.462 3.634 20 30 EHEDLO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000472061084 1024535062 /nfs/dbraw/zinc/53/50/62/1024535062.db2.gz BBDJIWOSDLCNAD-UHFFFAOYSA-N 1 2 330.762 3.957 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000114723726 1024755092 /nfs/dbraw/zinc/75/50/92/1024755092.db2.gz KUCWUQJDAYCYQE-UHFFFAOYSA-N 1 2 343.652 3.715 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000428210452 1025049926 /nfs/dbraw/zinc/04/99/26/1025049926.db2.gz VJUJSQODTHLISZ-IBGZPJMESA-N 1 2 338.426 3.921 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000428210452 1025049936 /nfs/dbraw/zinc/04/99/36/1025049936.db2.gz VJUJSQODTHLISZ-IBGZPJMESA-N 1 2 338.426 3.921 20 30 EHEDLO Cc1ccc(C#N)c(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000346852901 1025241741 /nfs/dbraw/zinc/24/17/41/1025241741.db2.gz QZGSSBIXHNWWAJ-HNNXBMFYSA-N 1 2 342.393 3.616 20 30 EHEDLO Cc1ccc(C#N)c(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000346852901 1025241753 /nfs/dbraw/zinc/24/17/53/1025241753.db2.gz QZGSSBIXHNWWAJ-HNNXBMFYSA-N 1 2 342.393 3.616 20 30 EHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896502825 1025505742 /nfs/dbraw/zinc/50/57/42/1025505742.db2.gz KKJPDDLCOWFMDA-SFHVURJKSA-N 1 2 331.419 3.873 20 30 EHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896502825 1025505764 /nfs/dbraw/zinc/50/57/64/1025505764.db2.gz KKJPDDLCOWFMDA-SFHVURJKSA-N 1 2 331.419 3.873 20 30 EHEDLO C=CCn1c(C)cc(C(=O)COc2ccccc2-n2cc[nH+]c2)c1C ZINC000530873295 1026373172 /nfs/dbraw/zinc/37/31/72/1026373172.db2.gz PKUNQPYRKUEZLM-UHFFFAOYSA-N 1 2 335.407 3.738 20 30 EHEDLO C=CCCOCCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000342628759 1026510458 /nfs/dbraw/zinc/51/04/58/1026510458.db2.gz AMTCNHAUXPIHFE-UHFFFAOYSA-N 1 2 331.391 3.713 20 30 EHEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000897264263 1026608455 /nfs/dbraw/zinc/60/84/55/1026608455.db2.gz WXLCXLSCQOCORM-ZWKOTPCHSA-N 1 2 334.410 3.573 20 30 EHEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000897264263 1026608464 /nfs/dbraw/zinc/60/84/64/1026608464.db2.gz WXLCXLSCQOCORM-ZWKOTPCHSA-N 1 2 334.410 3.573 20 30 EHEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135173394 1026853424 /nfs/dbraw/zinc/85/34/24/1026853424.db2.gz FRBMTWPWEBZDIK-UHFFFAOYSA-N 1 2 348.874 3.681 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754372 1027006740 /nfs/dbraw/zinc/00/67/40/1027006740.db2.gz CATDKGQGLADULT-FRRDWIJNSA-N 1 2 331.485 3.698 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754372 1027006748 /nfs/dbraw/zinc/00/67/48/1027006748.db2.gz CATDKGQGLADULT-FRRDWIJNSA-N 1 2 331.485 3.698 20 30 EHEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459308666 1027497653 /nfs/dbraw/zinc/49/76/53/1027497653.db2.gz OUEOVTDNZPYUFU-GOSISDBHSA-N 1 2 337.379 3.812 20 30 EHEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459308666 1027497663 /nfs/dbraw/zinc/49/76/63/1027497663.db2.gz OUEOVTDNZPYUFU-GOSISDBHSA-N 1 2 337.379 3.812 20 30 EHEDLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026326386 1027710142 /nfs/dbraw/zinc/71/01/42/1027710142.db2.gz IWTHAQQBSJHEFB-FQEVSTJZSA-N 1 2 335.451 3.600 20 30 EHEDLO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026326386 1027710162 /nfs/dbraw/zinc/71/01/62/1027710162.db2.gz IWTHAQQBSJHEFB-FQEVSTJZSA-N 1 2 335.451 3.600 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347342718 1027989991 /nfs/dbraw/zinc/98/99/91/1027989991.db2.gz FLWZYSNRCJMRSC-KSSFIOAISA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347342718 1027990005 /nfs/dbraw/zinc/99/00/05/1027990005.db2.gz FLWZYSNRCJMRSC-KSSFIOAISA-N 1 2 342.439 3.698 20 30 EHEDLO C=C(CC)C[N@@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502368951 1028148795 /nfs/dbraw/zinc/14/87/95/1028148795.db2.gz STGYLPFSZGHDPI-FQEVSTJZSA-N 1 2 339.483 3.888 20 30 EHEDLO C=C(CC)C[N@H+]1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C ZINC000502368951 1028148807 /nfs/dbraw/zinc/14/88/07/1028148807.db2.gz STGYLPFSZGHDPI-FQEVSTJZSA-N 1 2 339.483 3.888 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(F)cc(F)c2)c(C#N)c1C ZINC000444692494 1028167752 /nfs/dbraw/zinc/16/77/52/1028167752.db2.gz MLDBGEZADHGPOJ-LLVKDONJSA-N 1 2 347.365 3.505 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2)c(C#N)c1C ZINC000444692494 1028167757 /nfs/dbraw/zinc/16/77/57/1028167757.db2.gz MLDBGEZADHGPOJ-LLVKDONJSA-N 1 2 347.365 3.505 20 30 EHEDLO C[C@@H](c1nnc(SCCC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000066316817 1028248297 /nfs/dbraw/zinc/24/82/97/1028248297.db2.gz VYHYVHNSMSTEGB-NSHDSACASA-N 1 2 335.864 3.549 20 30 EHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000444801585 1028271129 /nfs/dbraw/zinc/27/11/29/1028271129.db2.gz LHXPKJVSGAVIDY-MJGOQNOKSA-N 1 2 345.874 3.675 20 30 EHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000444801585 1028271149 /nfs/dbraw/zinc/27/11/49/1028271149.db2.gz LHXPKJVSGAVIDY-MJGOQNOKSA-N 1 2 345.874 3.675 20 30 EHEDLO CC[C@H]([NH2+][C@H](C)c1ncc(C(=O)OC)s1)c1ccc(C#N)cc1 ZINC000424324566 1028970125 /nfs/dbraw/zinc/97/01/25/1028970125.db2.gz KEGWUIXMWAMYEX-RISCZKNCSA-N 1 2 329.425 3.603 20 30 EHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052162629 1029142420 /nfs/dbraw/zinc/14/24/20/1029142420.db2.gz DFQURJRSZYNQRH-CQSZACIVSA-N 1 2 333.863 3.675 20 30 EHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000052162629 1029142426 /nfs/dbraw/zinc/14/24/26/1029142426.db2.gz DFQURJRSZYNQRH-CQSZACIVSA-N 1 2 333.863 3.675 20 30 EHEDLO CC#CCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000155034274 1029394512 /nfs/dbraw/zinc/39/45/12/1029394512.db2.gz YNOAJIMBWNJJFT-CYBMUJFWSA-N 1 2 332.448 3.535 20 30 EHEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052248100 1029598206 /nfs/dbraw/zinc/59/82/06/1029598206.db2.gz MKTTYFZHHFZRRH-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000052248100 1029598211 /nfs/dbraw/zinc/59/82/11/1029598211.db2.gz MKTTYFZHHFZRRH-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO C=C(C)C(=O)NCCCNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC001167669798 1030166341 /nfs/dbraw/zinc/16/63/41/1030166341.db2.gz QNYQMQSEZFBAMK-UHFFFAOYSA-N 1 2 334.423 3.520 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000121102691 1030183609 /nfs/dbraw/zinc/18/36/09/1030183609.db2.gz WRCAJNHSCBONCE-VQTJNVASSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000121102691 1030183618 /nfs/dbraw/zinc/18/36/18/1030183618.db2.gz WRCAJNHSCBONCE-VQTJNVASSA-N 1 2 331.419 3.839 20 30 EHEDLO C=CC[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646399 1030492077 /nfs/dbraw/zinc/49/20/77/1030492077.db2.gz VDDBLDQSWNJGBO-DEOSSOPVSA-N 1 2 344.436 3.520 20 30 EHEDLO C=CC[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646399 1030492092 /nfs/dbraw/zinc/49/20/92/1030492092.db2.gz VDDBLDQSWNJGBO-DEOSSOPVSA-N 1 2 344.436 3.520 20 30 EHEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841397 1030685089 /nfs/dbraw/zinc/68/50/89/1030685089.db2.gz OZJHZSIPMFQYNI-IBGZPJMESA-N 1 2 326.396 3.536 20 30 EHEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841397 1030685099 /nfs/dbraw/zinc/68/50/99/1030685099.db2.gz OZJHZSIPMFQYNI-IBGZPJMESA-N 1 2 326.396 3.536 20 30 EHEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCCCC12CCCC2 ZINC000329641253 1031562787 /nfs/dbraw/zinc/56/27/87/1031562787.db2.gz XOZKWDVWUZVZAH-SJORKVTESA-N 1 2 342.487 3.667 20 30 EHEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c1 ZINC000347347017 1031931621 /nfs/dbraw/zinc/93/16/21/1031931621.db2.gz QVJDXIIHUKNFRG-WBVHZDCISA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c1 ZINC000347347017 1031931641 /nfs/dbraw/zinc/93/16/41/1031931641.db2.gz QVJDXIIHUKNFRG-WBVHZDCISA-N 1 2 342.439 3.698 20 30 EHEDLO Cc1ccc(C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cn1 ZINC000459405599 1032045073 /nfs/dbraw/zinc/04/50/73/1032045073.db2.gz IMKAMGIQJGCOBB-UHFFFAOYSA-N 1 2 336.395 3.550 20 30 EHEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC000898106801 1033352854 /nfs/dbraw/zinc/35/28/54/1033352854.db2.gz BDXNYNTVLMXZPB-BLLLJJGKSA-N 1 2 332.398 3.706 20 30 EHEDLO C[C@H](CC(C)(C)C#N)[NH2+][C@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC000898106807 1033354893 /nfs/dbraw/zinc/35/48/93/1033354893.db2.gz BDXNYNTVLMXZPB-WBMJQRKESA-N 1 2 332.398 3.706 20 30 EHEDLO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(OC)c1 ZINC000595682603 1033931330 /nfs/dbraw/zinc/93/13/30/1033931330.db2.gz CFWUABGPMNQUCA-GOSISDBHSA-N 1 2 330.815 3.698 20 30 EHEDLO Cc1nc(C[NH2+]Cc2cccc(OCCCC#N)c2)nc2ccccc12 ZINC000608861106 1033936749 /nfs/dbraw/zinc/93/67/49/1033936749.db2.gz RKWIBOYHJSBQLT-UHFFFAOYSA-N 1 2 346.434 3.911 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cccnc1C(F)(F)F)C2 ZINC000599681030 1034110273 /nfs/dbraw/zinc/11/02/73/1034110273.db2.gz BCAZTKHIRZUZFQ-UHFFFAOYSA-N 1 2 331.341 3.725 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cccnc1C(F)(F)F)C2 ZINC000599681030 1034110282 /nfs/dbraw/zinc/11/02/82/1034110282.db2.gz BCAZTKHIRZUZFQ-UHFFFAOYSA-N 1 2 331.341 3.725 20 30 EHEDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686756 1034115582 /nfs/dbraw/zinc/11/55/82/1034115582.db2.gz XXONDZPSJHHQEG-HNNXBMFYSA-N 1 2 344.418 3.922 20 30 EHEDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686756 1034115588 /nfs/dbraw/zinc/11/55/88/1034115588.db2.gz XXONDZPSJHHQEG-HNNXBMFYSA-N 1 2 344.418 3.922 20 30 EHEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000599941940 1034253299 /nfs/dbraw/zinc/25/32/99/1034253299.db2.gz MMZUOANHKWKDFF-QGZVFWFLSA-N 1 2 347.890 3.751 20 30 EHEDLO CC(C)(CCC#N)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000599941940 1034253321 /nfs/dbraw/zinc/25/33/21/1034253321.db2.gz MMZUOANHKWKDFF-QGZVFWFLSA-N 1 2 347.890 3.751 20 30 EHEDLO C=CCOc1cccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC000431754973 1035427752 /nfs/dbraw/zinc/42/77/52/1035427752.db2.gz OCJFPIRUWPYJRC-UHFFFAOYSA-N 1 2 347.418 3.677 20 30 EHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1NC(C)=O ZINC000255885766 1035435980 /nfs/dbraw/zinc/43/59/80/1035435980.db2.gz RATPJQAQNDIBQA-SREVYHEPSA-N 1 2 349.390 3.506 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(Cl)cc1F ZINC000491231715 1035744992 /nfs/dbraw/zinc/74/49/92/1035744992.db2.gz VSPQLEAJTNJAHQ-MRXNPFEDSA-N 1 2 327.790 3.830 20 30 EHEDLO C#C[C@H]([NH2+]Cc1c(C(C)C)nc2sc(C)nn12)c1ccc(F)cc1 ZINC000491316992 1036273400 /nfs/dbraw/zinc/27/34/00/1036273400.db2.gz ZACUIPUGOKUCNK-HNNXBMFYSA-N 1 2 342.443 3.826 20 30 EHEDLO N#CCCC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000399382046 1036609521 /nfs/dbraw/zinc/60/95/21/1036609521.db2.gz ZXSIHHOMLSEKAN-UHFFFAOYSA-N 1 2 332.245 3.837 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccsc2)c1C ZINC000051455733 1036900546 /nfs/dbraw/zinc/90/05/46/1036900546.db2.gz MUTVMEXQWIHZDT-UHFFFAOYSA-N 1 2 341.480 3.744 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccsc2)c1C ZINC000051455733 1036900555 /nfs/dbraw/zinc/90/05/55/1036900555.db2.gz MUTVMEXQWIHZDT-UHFFFAOYSA-N 1 2 341.480 3.744 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1sc(C)c(C)c1C ZINC000491394162 1037436793 /nfs/dbraw/zinc/43/67/93/1037436793.db2.gz FZSIPSUJATZBMA-UHFFFAOYSA-N 1 2 332.469 3.936 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1sc(C)c(C)c1C ZINC000491394162 1037436808 /nfs/dbraw/zinc/43/68/08/1037436808.db2.gz FZSIPSUJATZBMA-UHFFFAOYSA-N 1 2 332.469 3.936 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)Cc1ccccc1 ZINC000045840909 1037463695 /nfs/dbraw/zinc/46/36/95/1037463695.db2.gz OTDQCKPZZZHUGG-UHFFFAOYSA-N 1 2 335.407 3.933 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)Cc1ccccc1 ZINC000045840909 1037463705 /nfs/dbraw/zinc/46/37/05/1037463705.db2.gz OTDQCKPZZZHUGG-UHFFFAOYSA-N 1 2 335.407 3.933 20 30 EHEDLO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cc(F)ccc1F ZINC000539359378 1038846469 /nfs/dbraw/zinc/84/64/69/1038846469.db2.gz AHBOPIIYEGRTLM-GOSISDBHSA-N 1 2 344.361 3.864 20 30 EHEDLO N#Cc1ccc(OCCC[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066845967 1040338135 /nfs/dbraw/zinc/33/81/35/1040338135.db2.gz YQGVGZZANMZAKO-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1ccc(OCCC[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000066845967 1040338156 /nfs/dbraw/zinc/33/81/56/1040338156.db2.gz YQGVGZZANMZAKO-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000433062567 1040588011 /nfs/dbraw/zinc/58/80/11/1040588011.db2.gz PBBANXNIBXIWKO-QGZVFWFLSA-N 1 2 337.423 3.586 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)c(C#N)c1C ZINC000433062567 1040588019 /nfs/dbraw/zinc/58/80/19/1040588019.db2.gz PBBANXNIBXIWKO-QGZVFWFLSA-N 1 2 337.423 3.586 20 30 EHEDLO CCn1c2ccccc2nc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600214020 1040827036 /nfs/dbraw/zinc/82/70/36/1040827036.db2.gz KGXIZOLSIIXNIA-UHFFFAOYSA-N 1 2 330.435 3.681 20 30 EHEDLO CCn1c2ccccc2nc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600214020 1040827048 /nfs/dbraw/zinc/82/70/48/1040827048.db2.gz KGXIZOLSIIXNIA-UHFFFAOYSA-N 1 2 330.435 3.681 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2cc(-c3ccccc3Cl)on2)CC1 ZINC000419270290 1041014681 /nfs/dbraw/zinc/01/46/81/1041014681.db2.gz QUQQVLWXVUEDDH-UHFFFAOYSA-N 1 2 345.830 3.747 20 30 EHEDLO Cc1cc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)no1 ZINC000066875219 1041980765 /nfs/dbraw/zinc/98/07/65/1041980765.db2.gz FCQQLGJXLVPBEV-UHFFFAOYSA-N 1 2 333.391 3.724 20 30 EHEDLO CC(C)C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)n1cc[nH+]c1 ZINC000602074102 1042660829 /nfs/dbraw/zinc/66/08/29/1042660829.db2.gz LBOFASLPQMEXEJ-SFHVURJKSA-N 1 2 340.427 3.792 20 30 EHEDLO N#C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1Cl ZINC000172123828 1126782123 /nfs/dbraw/zinc/78/21/23/1126782123.db2.gz DHGYIORXENWZFL-QGZVFWFLSA-N 1 2 336.782 3.520 20 30 EHEDLO C=CC[C@@H]1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000624135265 1127254896 /nfs/dbraw/zinc/25/48/96/1127254896.db2.gz YKWKFKBNKXUAJO-CQSZACIVSA-N 1 2 344.846 3.633 20 30 EHEDLO C#CCOc1ccc([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000764809082 1127537379 /nfs/dbraw/zinc/53/73/79/1127537379.db2.gz GWVHVFCEVJQFAQ-LAUBAEHRSA-N 1 2 345.446 3.872 20 30 EHEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000764809080 1127537422 /nfs/dbraw/zinc/53/74/22/1127537422.db2.gz GWVHVFCEVJQFAQ-DYESRHJHSA-N 1 2 345.446 3.872 20 30 EHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000764963441 1127559933 /nfs/dbraw/zinc/55/99/33/1127559933.db2.gz NTIWXRSVKCQKDA-AWEZNQCLSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000764963441 1127559936 /nfs/dbraw/zinc/55/99/36/1127559936.db2.gz NTIWXRSVKCQKDA-AWEZNQCLSA-N 1 2 328.485 3.875 20 30 EHEDLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(O)Cc1ccccc1Cl ZINC001649046480 1127996603 /nfs/dbraw/zinc/99/66/03/1127996603.db2.gz VFPWIGMAUPWFID-UHFFFAOYSA-N 1 2 341.798 3.616 20 30 EHEDLO C=CC(C)(C)CCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000624459835 1128366694 /nfs/dbraw/zinc/36/66/94/1128366694.db2.gz MMQCGEQKSNCJAI-KRWDZBQOSA-N 1 2 340.471 3.605 20 30 EHEDLO CCOC1(C)CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000298367392 1128561705 /nfs/dbraw/zinc/56/17/05/1128561705.db2.gz UTIDTJCRMDOPIP-UHFFFAOYSA-N 1 2 337.261 3.712 20 30 EHEDLO C[N@@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000302837334 1128650458 /nfs/dbraw/zinc/65/04/58/1128650458.db2.gz XLGUVTKYZQQNCQ-AEFFLSMTSA-N 1 2 349.331 3.972 20 30 EHEDLO C[N@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000302837334 1128650460 /nfs/dbraw/zinc/65/04/60/1128650460.db2.gz XLGUVTKYZQQNCQ-AEFFLSMTSA-N 1 2 349.331 3.972 20 30 EHEDLO C=CC[C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000186795455 1120475211 /nfs/dbraw/zinc/47/52/11/1120475211.db2.gz NCVDDQAOTHBHAR-NRFANRHFSA-N 1 2 345.446 3.908 20 30 EHEDLO C=CCn1c(=S)n(C[NH+]2CCc3ccccc3CC2)nc1C1CC1 ZINC000153174033 1120764406 /nfs/dbraw/zinc/76/44/06/1120764406.db2.gz RASZXIRSWSUYCA-UHFFFAOYSA-N 1 2 340.496 3.536 20 30 EHEDLO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761756049 1120882439 /nfs/dbraw/zinc/88/24/39/1120882439.db2.gz BXXBQADQIPCOPR-NSISKUIASA-N 1 2 328.456 3.527 20 30 EHEDLO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761756049 1120882442 /nfs/dbraw/zinc/88/24/42/1120882442.db2.gz BXXBQADQIPCOPR-NSISKUIASA-N 1 2 328.456 3.527 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCc3ccccc3Cl)CCO2)c1 ZINC000761757438 1120884517 /nfs/dbraw/zinc/88/45/17/1120884517.db2.gz KMZGDSSOBULQSL-IBGZPJMESA-N 1 2 326.827 3.828 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCc3ccccc3Cl)CCO2)c1 ZINC000761757438 1120884520 /nfs/dbraw/zinc/88/45/20/1120884520.db2.gz KMZGDSSOBULQSL-IBGZPJMESA-N 1 2 326.827 3.828 20 30 EHEDLO CC(C)Oc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761759718 1120891849 /nfs/dbraw/zinc/89/18/49/1120891849.db2.gz PSHPGNIXKOWZIJ-OAQYLSRUSA-N 1 2 336.435 3.919 20 30 EHEDLO CC(C)Oc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761759718 1120891852 /nfs/dbraw/zinc/89/18/52/1120891852.db2.gz PSHPGNIXKOWZIJ-OAQYLSRUSA-N 1 2 336.435 3.919 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCc3ccccc3[C@@H]2CC)c1=S ZINC000153255302 1120919397 /nfs/dbraw/zinc/91/93/97/1120919397.db2.gz LFGASSLVZFRVDS-KRWDZBQOSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCc3ccccc3[C@@H]2CC)c1=S ZINC000153255302 1120919400 /nfs/dbraw/zinc/91/94/00/1120919400.db2.gz LFGASSLVZFRVDS-KRWDZBQOSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc(CC)cc1)c1ccccc1Cl ZINC000495082973 1120946528 /nfs/dbraw/zinc/94/65/28/1120946528.db2.gz CMPUCEWEEXINAY-HXUWFJFHSA-N 1 2 342.870 3.884 20 30 EHEDLO CC[N@H+](Cc1ccncc1)Cc1ccc(C#N)cc1Br ZINC000272607920 1121779039 /nfs/dbraw/zinc/77/90/39/1121779039.db2.gz WKYSDZYQIPQGGS-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1Br ZINC000272607920 1121779046 /nfs/dbraw/zinc/77/90/46/1121779046.db2.gz WKYSDZYQIPQGGS-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO O=[N+]([O-])c1cc(Cl)ccc1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000915976138 1122003401 /nfs/dbraw/zinc/00/34/01/1122003401.db2.gz DTZCUVCSXXKKHH-UHFFFAOYSA-N 1 2 341.758 3.880 20 30 EHEDLO FC(F)(F)c1ccc(N=NCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000917025332 1122442920 /nfs/dbraw/zinc/44/29/20/1122442920.db2.gz TUNPPSPQRNEDBT-UHFFFAOYSA-N 1 2 331.301 3.732 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3cccs3)no2)C2CC2)cc1 ZINC000194960268 1123093710 /nfs/dbraw/zinc/09/37/10/1123093710.db2.gz UAZVGZYWSVAGNU-UHFFFAOYSA-N 1 2 336.420 3.834 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3cccs3)no2)C2CC2)cc1 ZINC000194960268 1123093721 /nfs/dbraw/zinc/09/37/21/1123093721.db2.gz UAZVGZYWSVAGNU-UHFFFAOYSA-N 1 2 336.420 3.834 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000616135080 1123948559 /nfs/dbraw/zinc/94/85/59/1123948559.db2.gz KLIYVTXYXQMTMD-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000616135080 1123948561 /nfs/dbraw/zinc/94/85/61/1123948561.db2.gz KLIYVTXYXQMTMD-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO CCn1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Br)c1 ZINC000616785371 1124033645 /nfs/dbraw/zinc/03/36/45/1124033645.db2.gz PMCLFWHQMUJXHP-UHFFFAOYSA-N 1 2 332.245 3.774 20 30 EHEDLO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)c1 ZINC000616785371 1124033647 /nfs/dbraw/zinc/03/36/47/1124033647.db2.gz PMCLFWHQMUJXHP-UHFFFAOYSA-N 1 2 332.245 3.774 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000617219569 1124458532 /nfs/dbraw/zinc/45/85/32/1124458532.db2.gz YSYPAGSDUFSWFI-LBPRGKRZSA-N 1 2 345.187 3.524 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000617219569 1124458536 /nfs/dbraw/zinc/45/85/36/1124458536.db2.gz YSYPAGSDUFSWFI-LBPRGKRZSA-N 1 2 345.187 3.524 20 30 EHEDLO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)Cc1cccs1 ZINC000735302974 1131329717 /nfs/dbraw/zinc/32/97/17/1131329717.db2.gz IWQSEMVTIBPDNA-UHFFFAOYSA-N 1 2 335.816 3.545 20 30 EHEDLO CN(CCC#N)c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922527832 1129562581 /nfs/dbraw/zinc/56/25/81/1129562581.db2.gz YNQPFLVKGRUDJR-QUCCMNQESA-N 1 2 339.414 3.598 20 30 EHEDLO N#Cc1ccc(CSCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000162784402 1129904972 /nfs/dbraw/zinc/90/49/72/1129904972.db2.gz RPUAORFNNSIZHL-UHFFFAOYSA-N 1 2 348.431 3.820 20 30 EHEDLO COc1ccc(C=NNc2cc[nH+]c3ccccc23)c(OC(F)F)c1 ZINC000734096198 1131192555 /nfs/dbraw/zinc/19/25/55/1131192555.db2.gz KEXOYOCFUKEDEY-UHFFFAOYSA-N 1 2 343.333 3.713 20 30 EHEDLO CCCCCCC[C@@H](CCC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001172501403 1131761428 /nfs/dbraw/zinc/76/14/28/1131761428.db2.gz HHQZSTSQBLBLKC-CVEARBPZSA-N 1 2 329.481 3.600 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+](CCC)Cc2ccc(OC)cc2)c1=S ZINC000746034558 1132352671 /nfs/dbraw/zinc/35/26/71/1132352671.db2.gz VLYNRBGVGODJNR-UHFFFAOYSA-N 1 2 346.500 3.787 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+](CCC)Cc2ccc(OC)cc2)c1=S ZINC000746034558 1132352677 /nfs/dbraw/zinc/35/26/77/1132352677.db2.gz VLYNRBGVGODJNR-UHFFFAOYSA-N 1 2 346.500 3.787 20 30 EHEDLO C=C(C)Nc1ccccc1C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC001174794042 1132476974 /nfs/dbraw/zinc/47/69/74/1132476974.db2.gz AGTDLAHSGIOOAF-UHFFFAOYSA-N 1 2 331.460 3.685 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2cccc(C)c2)c1 ZINC001174922379 1132505669 /nfs/dbraw/zinc/50/56/69/1132505669.db2.gz XGXBIQUGZSPOIP-FQEVSTJZSA-N 1 2 334.419 3.823 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2cccc(C)c2)c1 ZINC001174922379 1132505676 /nfs/dbraw/zinc/50/56/76/1132505676.db2.gz XGXBIQUGZSPOIP-FQEVSTJZSA-N 1 2 334.419 3.823 20 30 EHEDLO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169758930 1132848255 /nfs/dbraw/zinc/84/82/55/1132848255.db2.gz HOEKIALTANVGPC-OAQYLSRUSA-N 1 2 347.462 3.707 20 30 EHEDLO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169758930 1132848263 /nfs/dbraw/zinc/84/82/63/1132848263.db2.gz HOEKIALTANVGPC-OAQYLSRUSA-N 1 2 347.462 3.707 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCC2(C#N)CCCCC2)[C@H]2C[C@H]21 ZINC001176751603 1132996733 /nfs/dbraw/zinc/99/67/33/1132996733.db2.gz BLDKPRQAUYRGFK-JKSUJKDBSA-N 1 2 333.476 3.544 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H]2C[C@H]21 ZINC001176751603 1132996735 /nfs/dbraw/zinc/99/67/35/1132996735.db2.gz BLDKPRQAUYRGFK-JKSUJKDBSA-N 1 2 333.476 3.544 20 30 EHEDLO C#CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000769514436 1133307502 /nfs/dbraw/zinc/30/75/02/1133307502.db2.gz MZBNGJQHTGDPGN-HNAYVOBHSA-N 1 2 327.449 3.722 20 30 EHEDLO C#CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000769514436 1133307507 /nfs/dbraw/zinc/30/75/07/1133307507.db2.gz MZBNGJQHTGDPGN-HNAYVOBHSA-N 1 2 327.449 3.722 20 30 EHEDLO Cc1[nH]c(-c2ccccc2)nc1C(=O)C=Cc1cccc2[nH+]ccn21 ZINC000769607485 1133321242 /nfs/dbraw/zinc/32/12/42/1133321242.db2.gz LWCLWIQXVPYSRI-KHPPLWFESA-N 1 2 328.375 3.929 20 30 EHEDLO C#CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC000769704364 1133332712 /nfs/dbraw/zinc/33/27/12/1133332712.db2.gz DTZYEOPTOANNPU-IBGZPJMESA-N 1 2 346.390 3.594 20 30 EHEDLO C#CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc21 ZINC000769704364 1133332717 /nfs/dbraw/zinc/33/27/17/1133332717.db2.gz DTZYEOPTOANNPU-IBGZPJMESA-N 1 2 346.390 3.594 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181359788 1133480406 /nfs/dbraw/zinc/48/04/06/1133480406.db2.gz HRCOQXBZUQPRCO-IBGZPJMESA-N 1 2 345.874 3.846 20 30 EHEDLO C=C[C@](C)(CC)C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181359789 1133480878 /nfs/dbraw/zinc/48/08/78/1133480878.db2.gz HRCOQXBZUQPRCO-LJQANCHMSA-N 1 2 345.874 3.846 20 30 EHEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000771156481 1133513423 /nfs/dbraw/zinc/51/34/23/1133513423.db2.gz YAYWIASYXWJTMV-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000771156481 1133513427 /nfs/dbraw/zinc/51/34/27/1133513427.db2.gz YAYWIASYXWJTMV-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)n2c1 ZINC000771844020 1133598934 /nfs/dbraw/zinc/59/89/34/1133598934.db2.gz DSHXWEXFKHIYMU-SXGWCWSVSA-N 1 2 348.431 3.843 20 30 EHEDLO COc1cc(F)c(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1OC ZINC000771857533 1133608213 /nfs/dbraw/zinc/60/82/13/1133608213.db2.gz FLJHERRUGHOTKN-WAYWQWQTSA-N 1 2 340.354 3.695 20 30 EHEDLO Brc1cc(N[NH+]=C2CCCNc3ccccc32)ccn1 ZINC000774412642 1133673904 /nfs/dbraw/zinc/67/39/04/1133673904.db2.gz FSTPWHKKWOXKGM-UHFFFAOYSA-N 1 2 331.217 3.866 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000746690589 1134016123 /nfs/dbraw/zinc/01/61/23/1134016123.db2.gz LGUHIVZGWPXUQZ-WHSLLNHNSA-N 1 2 336.435 3.917 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000746690589 1134016131 /nfs/dbraw/zinc/01/61/31/1134016131.db2.gz LGUHIVZGWPXUQZ-WHSLLNHNSA-N 1 2 336.435 3.917 20 30 EHEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cc(C)on2)ccc1OC ZINC000788639436 1134154589 /nfs/dbraw/zinc/15/45/89/1134154589.db2.gz OELKYRBOCAGZTR-UKRRQHHQSA-N 1 2 329.400 3.523 20 30 EHEDLO CCC#C[C@H](C)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC001188006586 1134411445 /nfs/dbraw/zinc/41/14/45/1134411445.db2.gz PMERHIUZIBCEOZ-UONOGXRCSA-N 1 2 346.475 3.923 20 30 EHEDLO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000791647431 1134585018 /nfs/dbraw/zinc/58/50/18/1134585018.db2.gz VKRSRFSDOZJQIL-OAQYLSRUSA-N 1 2 348.446 3.851 20 30 EHEDLO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000791647431 1134585021 /nfs/dbraw/zinc/58/50/21/1134585021.db2.gz VKRSRFSDOZJQIL-OAQYLSRUSA-N 1 2 348.446 3.851 20 30 EHEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000747061211 1134669757 /nfs/dbraw/zinc/66/97/57/1134669757.db2.gz DNMBFGPXLUWEKT-UHFFFAOYSA-N 1 2 337.383 3.699 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C(=O)OC)ccc1F ZINC001190458104 1134703803 /nfs/dbraw/zinc/70/38/03/1134703803.db2.gz VZHMPWZCTYUGDO-UHFFFAOYSA-N 1 2 343.398 3.809 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C(=O)OC)ccc1F ZINC001190458104 1134703807 /nfs/dbraw/zinc/70/38/07/1134703807.db2.gz VZHMPWZCTYUGDO-UHFFFAOYSA-N 1 2 343.398 3.809 20 30 EHEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001170383452 1134767130 /nfs/dbraw/zinc/76/71/30/1134767130.db2.gz MJXYFPGKDFTINO-FDYSRKEFSA-N 1 2 338.476 3.665 20 30 EHEDLO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H]3SC(=O)C=C3C2)CC1 ZINC001170383452 1134767134 /nfs/dbraw/zinc/76/71/34/1134767134.db2.gz MJXYFPGKDFTINO-FDYSRKEFSA-N 1 2 338.476 3.665 20 30 EHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3cccc(Cl)n3)CC2)cc1 ZINC000793173795 1134867900 /nfs/dbraw/zinc/86/79/00/1134867900.db2.gz CODPMLZOIKNBKF-UHFFFAOYSA-N 1 2 343.862 3.869 20 30 EHEDLO Cc1csc(C(C#N)C(=O)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000805844982 1135344139 /nfs/dbraw/zinc/34/41/39/1135344139.db2.gz FZZAVHWTUAGVIZ-KRWDZBQOSA-N 1 2 339.464 3.540 20 30 EHEDLO Cc1csc([C@@H](C#N)C(=O)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000805844982 1135344144 /nfs/dbraw/zinc/34/41/44/1135344144.db2.gz FZZAVHWTUAGVIZ-KRWDZBQOSA-N 1 2 339.464 3.540 20 30 EHEDLO N#Cc1sccc1N1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC001196084010 1135514432 /nfs/dbraw/zinc/51/44/32/1135514432.db2.gz ZOEDKALAMRHIBE-UHFFFAOYSA-N 1 2 349.862 3.777 20 30 EHEDLO Cc1noc([C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C(C)C)n1 ZINC001198873141 1135864795 /nfs/dbraw/zinc/86/47/95/1135864795.db2.gz YTFJPLILEGTHOZ-AWEZNQCLSA-N 1 2 338.333 3.755 20 30 EHEDLO CCCCCCCCCCC[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001201631290 1136044769 /nfs/dbraw/zinc/04/47/69/1136044769.db2.gz OMHCSAJJNXIIFP-KRWDZBQOSA-N 1 2 347.540 3.976 20 30 EHEDLO C#C[C@H]([NH2+][C@H](CCCC)C(=O)Nc1cc(C)on1)c1ccc(F)cc1 ZINC000812309598 1136193803 /nfs/dbraw/zinc/19/38/03/1136193803.db2.gz HMYYNFYTJMUJOI-DLBZAZTESA-N 1 2 343.402 3.584 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccc(F)cc1 ZINC000812794004 1136251385 /nfs/dbraw/zinc/25/13/85/1136251385.db2.gz MRBPETWNYVYELW-SCLBCKFNSA-N 1 2 325.383 3.622 20 30 EHEDLO CC1(C)CC(=[NH+]Nc2ccc([N+](=O)[O-])cc2)c2cc(N)ccc2O1 ZINC000814682000 1136490563 /nfs/dbraw/zinc/49/05/63/1136490563.db2.gz FEJOBBIKVRVUQF-UHFFFAOYSA-N 1 2 326.356 3.554 20 30 EHEDLO CCOC(=O)c1ccc(N[NH+]=C(C)c2cc(F)c(N)c(F)c2)cc1C ZINC000814935303 1136526875 /nfs/dbraw/zinc/52/68/75/1136526875.db2.gz OSJDRVCOTFBAGP-UHFFFAOYSA-N 1 2 347.365 3.868 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000853536934 1136542490 /nfs/dbraw/zinc/54/24/90/1136542490.db2.gz ZHKKQHIDKBXJOQ-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3ccncc3)n(CC)c2=S)C1 ZINC000853536934 1136542494 /nfs/dbraw/zinc/54/24/94/1136542494.db2.gz ZHKKQHIDKBXJOQ-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)C1 ZINC000853536634 1136542551 /nfs/dbraw/zinc/54/25/51/1136542551.db2.gz GWRBXNKFOGSVAR-OAHLLOKOSA-N 1 2 331.485 3.629 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)C1 ZINC000853536634 1136542552 /nfs/dbraw/zinc/54/25/52/1136542552.db2.gz GWRBXNKFOGSVAR-OAHLLOKOSA-N 1 2 331.485 3.629 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1[nH]c(-c2ccc(OC)cc2)nc1=S ZINC000853599853 1136548185 /nfs/dbraw/zinc/54/81/85/1136548185.db2.gz WXAYCMUJCSXCAE-GASCZTMLSA-N 1 2 342.468 3.757 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1[nH]c(-c2ccc(OC)cc2)nc1=S ZINC000853599853 1136548187 /nfs/dbraw/zinc/54/81/87/1136548187.db2.gz WXAYCMUJCSXCAE-GASCZTMLSA-N 1 2 342.468 3.757 20 30 EHEDLO N#CCC1(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000853659680 1136554034 /nfs/dbraw/zinc/55/40/34/1136554034.db2.gz ZPERGBTVPAGVOU-UHFFFAOYSA-N 1 2 335.407 3.596 20 30 EHEDLO N#Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1F ZINC000776725490 1136602767 /nfs/dbraw/zinc/60/27/67/1136602767.db2.gz BUGSCQGPQIOYQK-PLNGDYQASA-N 1 2 325.730 3.895 20 30 EHEDLO C=CCC(F)(F)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000815858882 1136645024 /nfs/dbraw/zinc/64/50/24/1136645024.db2.gz JUKUCIXBFUQJDT-MRXNPFEDSA-N 1 2 333.382 3.569 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nc(C2CC2)no1 ZINC000113356774 1136697789 /nfs/dbraw/zinc/69/77/89/1136697789.db2.gz GMLFWHRXFPAKOZ-DYVFJYSZSA-N 1 2 340.427 3.725 20 30 EHEDLO Cc1ccc(O[C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000858042854 1136934884 /nfs/dbraw/zinc/93/48/84/1136934884.db2.gz RKLHZBGOWBJWDY-QGZVFWFLSA-N 1 2 326.827 3.548 20 30 EHEDLO Cc1ccc(O[C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000858042854 1136934886 /nfs/dbraw/zinc/93/48/86/1136934886.db2.gz RKLHZBGOWBJWDY-QGZVFWFLSA-N 1 2 326.827 3.548 20 30 EHEDLO COCC[N@H+](CCC#N)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823436711 1137099668 /nfs/dbraw/zinc/09/96/68/1137099668.db2.gz CIGHEZBVVFUKAW-UHFFFAOYSA-N 1 2 343.496 3.747 20 30 EHEDLO COCC[N@@H+](CCC#N)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823436711 1137099669 /nfs/dbraw/zinc/09/96/69/1137099669.db2.gz CIGHEZBVVFUKAW-UHFFFAOYSA-N 1 2 343.496 3.747 20 30 EHEDLO Cc1cc(CNC(=O)C2(c3ccc(C#N)cc3)CCCC2)cc(C)[nH+]1 ZINC000862013574 1137126906 /nfs/dbraw/zinc/12/69/06/1137126906.db2.gz NCESTBUOOCQAEP-UHFFFAOYSA-N 1 2 333.435 3.698 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1C#N ZINC000844441797 1137224020 /nfs/dbraw/zinc/22/40/20/1137224020.db2.gz SVTJDXYPKRBGPW-SFHVURJKSA-N 1 2 342.393 3.674 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1C#N ZINC000844441797 1137224021 /nfs/dbraw/zinc/22/40/21/1137224021.db2.gz SVTJDXYPKRBGPW-SFHVURJKSA-N 1 2 342.393 3.674 20 30 EHEDLO CC(C)(C)c1ccc(N2CC[NH+](Cc3cncc(C#N)c3)CC2)cc1 ZINC001144084915 1137237701 /nfs/dbraw/zinc/23/77/01/1137237701.db2.gz RVQPUXQMRHNXLB-UHFFFAOYSA-N 1 2 334.467 3.573 20 30 EHEDLO O=C1C=C([NH2+]Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H]2CCCN12 ZINC000844606484 1137239104 /nfs/dbraw/zinc/23/91/04/1137239104.db2.gz CZZUCOHJXQGDMX-LBPRGKRZSA-N 1 2 331.725 3.521 20 30 EHEDLO N#Cc1ccc2[nH]c(NCc3ccc(OC[C@@H]4CCCO4)cc3)[nH+]c2c1 ZINC000865296064 1137275428 /nfs/dbraw/zinc/27/54/28/1137275428.db2.gz OZKPQCXPRJDVKA-KRWDZBQOSA-N 1 2 348.406 3.604 20 30 EHEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144381998 1137281612 /nfs/dbraw/zinc/28/16/12/1137281612.db2.gz RUIXQQWZBMHUEH-UHFFFAOYSA-N 1 2 332.325 3.841 20 30 EHEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(O)cc1C(F)(F)F)C2 ZINC001144381998 1137281613 /nfs/dbraw/zinc/28/16/13/1137281613.db2.gz RUIXQQWZBMHUEH-UHFFFAOYSA-N 1 2 332.325 3.841 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(C(=O)OC)cc1F)[C@@H]1CCc2ccccc21 ZINC001144443925 1137294512 /nfs/dbraw/zinc/29/45/12/1137294512.db2.gz FFJMEZLGXYAOCK-HXUWFJFHSA-N 1 2 337.394 3.735 20 30 EHEDLO C#CC[N@H+](Cc1ccc(C(=O)OC)cc1F)[C@@H]1CCc2ccccc21 ZINC001144443925 1137294513 /nfs/dbraw/zinc/29/45/13/1137294513.db2.gz FFJMEZLGXYAOCK-HXUWFJFHSA-N 1 2 337.394 3.735 20 30 EHEDLO CC(C)c1cc(N(C)C[C@H](O)c2cccc(C#N)c2)nc(C(C)C)[nH+]1 ZINC000845609639 1137302441 /nfs/dbraw/zinc/30/24/41/1137302441.db2.gz XYKHPEGVOWGOLY-SFHVURJKSA-N 1 2 338.455 3.765 20 30 EHEDLO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cccc(C#N)c1O ZINC000866217023 1137335839 /nfs/dbraw/zinc/33/58/39/1137335839.db2.gz JKOAMZCNGWGHOV-YJBOKZPZSA-N 1 2 339.439 3.735 20 30 EHEDLO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866263041 1137340258 /nfs/dbraw/zinc/34/02/58/1137340258.db2.gz LEMROTCOBFEAAE-KBPBESRZSA-N 1 2 340.423 3.563 20 30 EHEDLO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866263042 1137340442 /nfs/dbraw/zinc/34/04/42/1137340442.db2.gz LEMROTCOBFEAAE-KGLIPLIRSA-N 1 2 340.423 3.563 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1cccc(C#N)c1O ZINC000866326844 1137345897 /nfs/dbraw/zinc/34/58/97/1137345897.db2.gz MPCZXZPXNIYLJW-SJCJKPOMSA-N 1 2 326.371 3.967 20 30 EHEDLO CCCC[N@H+](CC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171854475 1137516007 /nfs/dbraw/zinc/51/60/07/1137516007.db2.gz DXFNIAOSAGEULN-MRXNPFEDSA-N 1 2 335.492 3.934 20 30 EHEDLO CCCC[N@@H+](CC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171854475 1137516009 /nfs/dbraw/zinc/51/60/09/1137516009.db2.gz DXFNIAOSAGEULN-MRXNPFEDSA-N 1 2 335.492 3.934 20 30 EHEDLO CC[C@](C)(C#N)[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172215108 1137541616 /nfs/dbraw/zinc/54/16/16/1137541616.db2.gz IXFLLSFAWUUUAG-CUYAVPTFSA-N 1 2 348.874 3.975 20 30 EHEDLO CN(C)C(=O)c1cccc(CC/[NH+]=C/c2c(O)ccc3ccccc32)c1 ZINC000125170961 1137624579 /nfs/dbraw/zinc/62/45/79/1137624579.db2.gz VVBMMCVZNKCSGF-HZHRSRAPSA-N 1 2 346.430 3.909 20 30 EHEDLO COCCOc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000125342669 1137630881 /nfs/dbraw/zinc/63/08/81/1137630881.db2.gz ZNCSQQJHVSXLTE-JXMROGBWSA-N 1 2 336.391 3.564 20 30 EHEDLO C#C[C@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000877512748 1137678994 /nfs/dbraw/zinc/67/89/94/1137678994.db2.gz ABGKMXYEGLRJDA-CYBMUJFWSA-N 1 2 349.406 3.607 20 30 EHEDLO C=CCCC[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000879297005 1137743830 /nfs/dbraw/zinc/74/38/30/1137743830.db2.gz GBTHYHSSNQOVHX-RBUKOAKNSA-N 1 2 337.467 3.876 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000127925318 1137755117 /nfs/dbraw/zinc/75/51/17/1137755117.db2.gz PXGOUSQHNDVNEE-QUCCMNQESA-N 1 2 346.434 3.970 20 30 EHEDLO COc1cc(C)[nH+]c(CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1 ZINC000879783405 1137758629 /nfs/dbraw/zinc/75/86/29/1137758629.db2.gz ODBMCIUTPKZERH-INIZCTEOSA-N 1 2 335.329 3.664 20 30 EHEDLO COc1ccc2[nH]c3c(c2c1)CC[N@H+](Cc1ccc(CC#N)cc1)C3 ZINC000880367786 1137776570 /nfs/dbraw/zinc/77/65/70/1137776570.db2.gz QRWXTNZUWYIGMI-UHFFFAOYSA-N 1 2 331.419 3.801 20 30 EHEDLO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](Cc1ccc(CC#N)cc1)C3 ZINC000880367786 1137776571 /nfs/dbraw/zinc/77/65/71/1137776571.db2.gz QRWXTNZUWYIGMI-UHFFFAOYSA-N 1 2 331.419 3.801 20 30 EHEDLO N#CC1CC[NH+](Cn2ncc3cccc(OCc4ccccc4)c32)CC1 ZINC000128815184 1137800722 /nfs/dbraw/zinc/80/07/22/1137800722.db2.gz IHUVMDXOFTWZJU-UHFFFAOYSA-N 1 2 346.434 3.808 20 30 EHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000881126020 1137800759 /nfs/dbraw/zinc/80/07/59/1137800759.db2.gz YQUUVGNQKGNZKD-IFXJQAMLSA-N 1 2 349.438 3.747 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1 ZINC000131627966 1137857514 /nfs/dbraw/zinc/85/75/14/1137857514.db2.gz XJQVWRPLSAZSHJ-INIZCTEOSA-N 1 2 336.439 3.975 20 30 EHEDLO C[C@@H]1CN(c2ccc(NC3CCC(C)(C#N)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000332386180 1137942278 /nfs/dbraw/zinc/94/22/78/1137942278.db2.gz JICRSAYWMRGUQZ-JYMZVQIXSA-N 1 2 328.460 3.580 20 30 EHEDLO CC[C@@](C)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nccs1 ZINC000072682663 1138107224 /nfs/dbraw/zinc/10/72/24/1138107224.db2.gz FWPRPKAMSKZQLA-MRXNPFEDSA-N 1 2 348.859 3.522 20 30 EHEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc(OC)c1O ZINC000092593881 1138229945 /nfs/dbraw/zinc/22/99/45/1138229945.db2.gz VOIWZHHLQVCMMH-QGZVFWFLSA-N 1 2 345.464 3.764 20 30 EHEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc(OC)c1O ZINC000092593881 1138229947 /nfs/dbraw/zinc/22/99/47/1138229947.db2.gz VOIWZHHLQVCMMH-QGZVFWFLSA-N 1 2 345.464 3.764 20 30 EHEDLO Cc1cc(Cl)c2ncc(C#N)c(NCCCn3cc[nH+]c3)c2c1 ZINC000338401664 1138892811 /nfs/dbraw/zinc/89/28/11/1138892811.db2.gz ZIFBNZYOFPCTSS-UHFFFAOYSA-N 1 2 325.803 3.767 20 30 EHEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)cs1 ZINC000177591570 1139627845 /nfs/dbraw/zinc/62/78/45/1139627845.db2.gz JQDFTSMTTPCWTP-SNVBAGLBSA-N 1 2 339.848 3.535 20 30 EHEDLO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000185488900 1140152910 /nfs/dbraw/zinc/15/29/10/1140152910.db2.gz LAQNKFAFEXPZAA-GFCCVEGCSA-N 1 2 332.860 3.551 20 30 EHEDLO C#CCCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000270875646 1141278722 /nfs/dbraw/zinc/27/87/22/1141278722.db2.gz NETCKDOPYVGSPP-ZDUSSCGKSA-N 1 2 332.448 3.535 20 30 EHEDLO COc1ccc(C#N)cc1CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328622528 564136980 /nfs/dbraw/zinc/13/69/80/564136980.db2.gz BHFFDXUPDRGKPT-SFHVURJKSA-N 1 2 336.439 3.506 20 30 EHEDLO Cc1nc2c(n1[C@H]1CC[N@H+](Cc3cc(C#N)ccc3F)C1)CCCC2 ZINC000275346705 1016505598 /nfs/dbraw/zinc/50/55/98/1016505598.db2.gz SMKRSZGJZRVMRL-KRWDZBQOSA-N 1 2 338.430 3.528 20 30 EHEDLO Cc1nc2c(n1[C@H]1CC[N@@H+](Cc3cc(C#N)ccc3F)C1)CCCC2 ZINC000275346705 1016505616 /nfs/dbraw/zinc/50/56/16/1016505616.db2.gz SMKRSZGJZRVMRL-KRWDZBQOSA-N 1 2 338.430 3.528 20 30 EHEDLO CCOc1ccc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)cc1OC ZINC000924655114 1032173650 /nfs/dbraw/zinc/17/36/50/1032173650.db2.gz GZNZZJHQDGKTIV-QGZVFWFLSA-N 1 2 340.423 3.912 20 30 EHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528487902 1032378306 /nfs/dbraw/zinc/37/83/06/1032378306.db2.gz BGBCVLGQLFHPGN-UHFFFAOYSA-N 1 2 346.356 3.553 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602056410 1032611883 /nfs/dbraw/zinc/61/18/83/1032611883.db2.gz DKDGXDGMERPWLK-IBGZPJMESA-N 1 2 338.455 3.781 20 30 EHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000593967839 1032660212 /nfs/dbraw/zinc/66/02/12/1032660212.db2.gz FKLAAUIDJFNTMR-CQSZACIVSA-N 1 2 329.444 3.638 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377492869 1017888373 /nfs/dbraw/zinc/88/83/73/1017888373.db2.gz JYVAKDFIQFKHMV-HNNXBMFYSA-N 1 2 342.361 3.898 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377492869 1017888389 /nfs/dbraw/zinc/88/83/89/1017888389.db2.gz JYVAKDFIQFKHMV-HNNXBMFYSA-N 1 2 342.361 3.898 20 30 EHEDLO Cc1ccc(-c2nnc([C@@H](C)O[NH+]=C(N)Cc3ccccc3)o2)cc1 ZINC000178307860 1018550385 /nfs/dbraw/zinc/55/03/85/1018550385.db2.gz DNNLYTRAPGWKLL-CQSZACIVSA-N 1 2 336.395 3.638 20 30 EHEDLO CC(C)(C)CN(CCC#N)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255109653 1018641614 /nfs/dbraw/zinc/64/16/14/1018641614.db2.gz FGLSRPSUAZEPBH-YFHOEESVSA-N 1 2 336.439 3.674 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccsc4)no3)CCC2)cc1 ZINC000594032113 1032814274 /nfs/dbraw/zinc/81/42/74/1032814274.db2.gz DMNKHNZDGDDDPW-UHFFFAOYSA-N 1 2 336.420 3.839 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000513437970 1019670928 /nfs/dbraw/zinc/67/09/28/1019670928.db2.gz HOGQYQQVTGCIBL-NRFANRHFSA-N 1 2 339.435 3.834 20 30 EHEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000513437970 1019670938 /nfs/dbraw/zinc/67/09/38/1019670938.db2.gz HOGQYQQVTGCIBL-NRFANRHFSA-N 1 2 339.435 3.834 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000473531735 1019856318 /nfs/dbraw/zinc/85/63/18/1019856318.db2.gz SZNOOVISMBJPSZ-IFXJQAMLSA-N 1 2 336.426 3.648 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000473531735 1019856340 /nfs/dbraw/zinc/85/63/40/1019856340.db2.gz SZNOOVISMBJPSZ-IFXJQAMLSA-N 1 2 336.426 3.648 20 30 EHEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000602450181 1032878905 /nfs/dbraw/zinc/87/89/05/1032878905.db2.gz IXCIXELUMFAYQR-CJNGLKHVSA-N 1 2 337.261 3.762 20 30 EHEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000602450181 1032878920 /nfs/dbraw/zinc/87/89/20/1032878920.db2.gz IXCIXELUMFAYQR-CJNGLKHVSA-N 1 2 337.261 3.762 20 30 EHEDLO CC(C)Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cn1 ZINC000897597005 1032889500 /nfs/dbraw/zinc/88/95/00/1032889500.db2.gz YJZJEOCXZDLXJA-NRFANRHFSA-N 1 2 335.451 3.725 20 30 EHEDLO CC(C)Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cn1 ZINC000897597005 1032889515 /nfs/dbraw/zinc/88/95/15/1032889515.db2.gz YJZJEOCXZDLXJA-NRFANRHFSA-N 1 2 335.451 3.725 20 30 EHEDLO O=C1C=COC2(CC[NH+](Cc3csc(C(F)(F)F)c3)CC2)C1 ZINC000897599544 1032906028 /nfs/dbraw/zinc/90/60/28/1032906028.db2.gz PJVUPPBPSBZCHP-UHFFFAOYSA-N 1 2 331.359 3.605 20 30 EHEDLO COCCc1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602480204 1032911341 /nfs/dbraw/zinc/91/13/41/1032911341.db2.gz AMFFKSVJGBRVMG-MSOLQXFVSA-N 1 2 341.480 3.604 20 30 EHEDLO COCCc1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602480204 1032911350 /nfs/dbraw/zinc/91/13/50/1032911350.db2.gz AMFFKSVJGBRVMG-MSOLQXFVSA-N 1 2 341.480 3.604 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2ccccn21 ZINC000439449764 1021450377 /nfs/dbraw/zinc/45/03/77/1021450377.db2.gz IXIAJQFKQQBTOT-QGZVFWFLSA-N 1 2 339.830 3.741 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccnn1CCC)c1ccc(Br)cc1 ZINC000894870065 1021539182 /nfs/dbraw/zinc/53/91/82/1021539182.db2.gz HWBQDULZBJXKQA-INIZCTEOSA-N 1 2 332.245 3.520 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc(COC)o1)c1ccc(Br)cc1 ZINC000894870408 1021543922 /nfs/dbraw/zinc/54/39/22/1021543922.db2.gz LHRKTKUAFJIOLM-MRXNPFEDSA-N 1 2 334.213 3.653 20 30 EHEDLO COc1cc(C[NH+]2CCC(CC#N)CC2)c(F)cc1Br ZINC000602596156 1032993718 /nfs/dbraw/zinc/99/37/18/1032993718.db2.gz IDMPHPPKWUCGQX-UHFFFAOYSA-N 1 2 341.224 3.722 20 30 EHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000134624582 1021698710 /nfs/dbraw/zinc/69/87/10/1021698710.db2.gz YOYFQXCRGCWXJV-CXAGYDPISA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000134624582 1021698717 /nfs/dbraw/zinc/69/87/17/1021698717.db2.gz YOYFQXCRGCWXJV-CXAGYDPISA-N 1 2 347.434 3.575 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC(F)F)on1 ZINC000437410281 1021805196 /nfs/dbraw/zinc/80/51/96/1021805196.db2.gz YQGORCXHNIZTLH-AWEZNQCLSA-N 1 2 333.338 3.793 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC(F)F)on1 ZINC000437410281 1021805216 /nfs/dbraw/zinc/80/52/16/1021805216.db2.gz YQGORCXHNIZTLH-AWEZNQCLSA-N 1 2 333.338 3.793 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)s1 ZINC000506111503 1022065151 /nfs/dbraw/zinc/06/51/51/1022065151.db2.gz FOLRQFPWDFSZDZ-UHFFFAOYSA-N 1 2 331.872 3.591 20 30 EHEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000602643782 1033035652 /nfs/dbraw/zinc/03/56/52/1033035652.db2.gz KYGKBALUIZWAGO-HUUCEWRRSA-N 1 2 346.475 3.867 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)OCC)[nH]1 ZINC000602652357 1033041041 /nfs/dbraw/zinc/04/10/41/1033041041.db2.gz CQZFWVFHISFWPA-UHFFFAOYSA-N 1 2 344.459 3.547 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C(=O)OCC)[nH]1 ZINC000602652357 1033041055 /nfs/dbraw/zinc/04/10/55/1033041055.db2.gz CQZFWVFHISFWPA-UHFFFAOYSA-N 1 2 344.459 3.547 20 30 EHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187554538 1022334115 /nfs/dbraw/zinc/33/41/15/1022334115.db2.gz HOIQQJOUEPIIDD-AWEZNQCLSA-N 1 2 334.847 3.765 20 30 EHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187554538 1022334132 /nfs/dbraw/zinc/33/41/32/1022334132.db2.gz HOIQQJOUEPIIDD-AWEZNQCLSA-N 1 2 334.847 3.765 20 30 EHEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCCO1 ZINC000926211498 1022400309 /nfs/dbraw/zinc/40/03/09/1022400309.db2.gz VJXARJOHJUOBIB-XDTLVQLUSA-N 1 2 332.753 3.585 20 30 EHEDLO C=C[C@@H]1CCCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458894403 1022445975 /nfs/dbraw/zinc/44/59/75/1022445975.db2.gz YMQSOTICMOHXSQ-CQSZACIVSA-N 1 2 344.846 3.776 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000303738374 1022524434 /nfs/dbraw/zinc/52/44/34/1022524434.db2.gz YDZFXVPJAQHTEL-UONOGXRCSA-N 1 2 336.526 3.729 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000303738374 1022524440 /nfs/dbraw/zinc/52/44/40/1022524440.db2.gz YDZFXVPJAQHTEL-UONOGXRCSA-N 1 2 336.526 3.729 20 30 EHEDLO Cc1cccn2cc(Cc3noc(-c4ccc(C#N)c(Cl)c4)n3)[nH+]c12 ZINC000581968959 1022581613 /nfs/dbraw/zinc/58/16/13/1022581613.db2.gz KDIHCBWRPLBZHI-UHFFFAOYSA-N 1 2 349.781 3.809 20 30 EHEDLO CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C12CCCCC2 ZINC000328932810 1022663655 /nfs/dbraw/zinc/66/36/55/1022663655.db2.gz DQNYJKVCIIXFBR-BHYGNILZSA-N 1 2 331.460 3.530 20 30 EHEDLO C=CC[N@@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC1 ZINC000350257419 1022665168 /nfs/dbraw/zinc/66/51/68/1022665168.db2.gz BMFDLDKVPVEMAY-UHFFFAOYSA-N 1 2 332.245 3.990 20 30 EHEDLO C=CC[N@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC1 ZINC000350257419 1022665179 /nfs/dbraw/zinc/66/51/79/1022665179.db2.gz BMFDLDKVPVEMAY-UHFFFAOYSA-N 1 2 332.245 3.990 20 30 EHEDLO Cc1cc(C)c(NC(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c(C)[nH+]1 ZINC000331347825 1022798580 /nfs/dbraw/zinc/79/85/80/1022798580.db2.gz WUJORSOKADSDMW-HNNXBMFYSA-N 1 2 347.459 3.606 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610604762 1022989394 /nfs/dbraw/zinc/98/93/94/1022989394.db2.gz KOAMXRUWUPADCS-GHMZBOCLSA-N 1 2 340.242 3.870 20 30 EHEDLO C=C1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000518162197 1023051116 /nfs/dbraw/zinc/05/11/16/1023051116.db2.gz KZBZEAVHTZMCAQ-UHFFFAOYSA-N 1 2 330.762 3.532 20 30 EHEDLO N#Cc1c(Cl)nsc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063254691 1033143264 /nfs/dbraw/zinc/14/32/64/1033143264.db2.gz OCALDHVZBKHQDC-UHFFFAOYSA-N 1 2 333.779 3.605 20 30 EHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991964 1023971387 /nfs/dbraw/zinc/97/13/87/1023971387.db2.gz XJIYVEBPNLOXSG-UHFFFAOYSA-N 1 2 345.450 3.696 20 30 EHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991964 1023971396 /nfs/dbraw/zinc/97/13/96/1023971396.db2.gz XJIYVEBPNLOXSG-UHFFFAOYSA-N 1 2 345.450 3.696 20 30 EHEDLO CO[C@](C)(C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000329751600 1024178267 /nfs/dbraw/zinc/17/82/67/1024178267.db2.gz VSIVGEPIOUVNPE-PXAZEXFGSA-N 1 2 337.489 3.778 20 30 EHEDLO CO[C@](C)(C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1CC1 ZINC000329751600 1024178277 /nfs/dbraw/zinc/17/82/77/1024178277.db2.gz VSIVGEPIOUVNPE-PXAZEXFGSA-N 1 2 337.489 3.778 20 30 EHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329776865 1024190451 /nfs/dbraw/zinc/19/04/51/1024190451.db2.gz KFAWPAAXECTHJZ-QGTPRVQTSA-N 1 2 346.471 3.870 20 30 EHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329776865 1024190457 /nfs/dbraw/zinc/19/04/57/1024190457.db2.gz KFAWPAAXECTHJZ-QGTPRVQTSA-N 1 2 346.471 3.870 20 30 EHEDLO O=C(N[C@@H]1CCCc2sccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329867019 1024227976 /nfs/dbraw/zinc/22/79/76/1024227976.db2.gz VKBXMWWYSXVHMK-CQSZACIVSA-N 1 2 330.457 3.642 20 30 EHEDLO O=C(N[C@@H]1CCCc2sccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329867019 1024227987 /nfs/dbraw/zinc/22/79/87/1024227987.db2.gz VKBXMWWYSXVHMK-CQSZACIVSA-N 1 2 330.457 3.642 20 30 EHEDLO CC1(C)CC[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000330191901 1024349561 /nfs/dbraw/zinc/34/95/61/1024349561.db2.gz NJIZTOHHLVPOLD-YOEHRIQHSA-N 1 2 338.455 3.514 20 30 EHEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000602862885 1033213710 /nfs/dbraw/zinc/21/37/10/1033213710.db2.gz MKJYOQWSGYIJLU-IUCAKERBSA-N 1 2 333.741 3.578 20 30 EHEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000602862147 1033214449 /nfs/dbraw/zinc/21/44/49/1033214449.db2.gz LGSWXDSPUXGBJK-NHYWBVRUSA-N 1 2 340.254 3.549 20 30 EHEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000602862144 1033215115 /nfs/dbraw/zinc/21/51/15/1033215115.db2.gz LGSWXDSPUXGBJK-IAQYHMDHSA-N 1 2 340.254 3.549 20 30 EHEDLO C=CCc1cc(C[N@@H+]2CCOc3c(F)cccc3C2)cc(OC)c1O ZINC000435040559 1024565662 /nfs/dbraw/zinc/56/56/62/1024565662.db2.gz FVLSHOJONLAKFI-UHFFFAOYSA-N 1 2 343.398 3.663 20 30 EHEDLO C=CCc1cc(C[N@H+]2CCOc3c(F)cccc3C2)cc(OC)c1O ZINC000435040559 1024565673 /nfs/dbraw/zinc/56/56/73/1024565673.db2.gz FVLSHOJONLAKFI-UHFFFAOYSA-N 1 2 343.398 3.663 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000435026062 1024567570 /nfs/dbraw/zinc/56/75/70/1024567570.db2.gz GMCXJSWNOMZYIY-HBGVWJBISA-N 1 2 348.446 3.898 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000435026062 1024567576 /nfs/dbraw/zinc/56/75/76/1024567576.db2.gz GMCXJSWNOMZYIY-HBGVWJBISA-N 1 2 348.446 3.898 20 30 EHEDLO Cc1ccccc1-n1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)nn1 ZINC000425363300 1024858493 /nfs/dbraw/zinc/85/84/93/1024858493.db2.gz BFTCXSMAIMOVKD-MRXNPFEDSA-N 1 2 331.423 3.640 20 30 EHEDLO Cc1ccccc1-n1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)nn1 ZINC000425363300 1024858507 /nfs/dbraw/zinc/85/85/07/1024858507.db2.gz BFTCXSMAIMOVKD-MRXNPFEDSA-N 1 2 331.423 3.640 20 30 EHEDLO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)cnn1-c1ccc(F)cc1 ZINC000255470751 1024898732 /nfs/dbraw/zinc/89/87/32/1024898732.db2.gz FRAYQEFXGVNHCQ-KTKRTIGZSA-N 1 2 346.365 3.864 20 30 EHEDLO C[N@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@H]1CCC[C@@H]1C#N ZINC000602979342 1033283786 /nfs/dbraw/zinc/28/37/86/1033283786.db2.gz CDXQSFXXVBUJDG-APWZRJJASA-N 1 2 339.414 3.924 20 30 EHEDLO C[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@H]1CCC[C@@H]1C#N ZINC000602979342 1033283801 /nfs/dbraw/zinc/28/38/01/1033283801.db2.gz CDXQSFXXVBUJDG-APWZRJJASA-N 1 2 339.414 3.924 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000582309678 1025812325 /nfs/dbraw/zinc/81/23/25/1025812325.db2.gz LVKBZQVTNZJMEM-VIFPVBQESA-N 1 2 333.741 3.579 20 30 EHEDLO C[C@@H]1CC[C@H](c2ccccc2)N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329510903 1025945199 /nfs/dbraw/zinc/94/51/99/1025945199.db2.gz BVULGHVDMUKITO-KBAYOESNSA-N 1 2 338.455 3.585 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000530500177 1025951603 /nfs/dbraw/zinc/95/16/03/1025951603.db2.gz HRYWOMNZSGEKKE-INIZCTEOSA-N 1 2 338.455 3.872 20 30 EHEDLO C=C1CC(C)(c2noc(C3CC[NH+](Cc4csc(C)n4)CC3)n2)C1 ZINC000896914310 1025976781 /nfs/dbraw/zinc/97/67/81/1025976781.db2.gz ZDBISUCUQORJSR-UHFFFAOYSA-N 1 2 344.484 3.822 20 30 EHEDLO Cc1csc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)n1 ZINC000329564136 1026010009 /nfs/dbraw/zinc/01/00/09/1026010009.db2.gz GWTUGWNSAGNTLF-JOCQHMNTSA-N 1 2 331.445 3.596 20 30 EHEDLO C=CC[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1cccs1 ZINC000025799910 1026177993 /nfs/dbraw/zinc/17/79/93/1026177993.db2.gz SCXDICBCCVZDDE-UHFFFAOYSA-N 1 2 344.524 3.821 20 30 EHEDLO C=CC[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1cccs1 ZINC000025799910 1026178000 /nfs/dbraw/zinc/17/80/00/1026178000.db2.gz SCXDICBCCVZDDE-UHFFFAOYSA-N 1 2 344.524 3.821 20 30 EHEDLO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000186330618 1026515571 /nfs/dbraw/zinc/51/55/71/1026515571.db2.gz OLLIPFSQUSRHRU-ZDUSSCGKSA-N 1 2 336.370 3.907 20 30 EHEDLO N#Cc1cccc(C[N@@H+]2CCc3cccc(Br)c3C2)c1 ZINC000531548614 1027034191 /nfs/dbraw/zinc/03/41/91/1027034191.db2.gz MRHVIWOBQRPFET-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1cccc(C[N@H+]2CCc3cccc(Br)c3C2)c1 ZINC000531548614 1027034197 /nfs/dbraw/zinc/03/41/97/1027034197.db2.gz MRHVIWOBQRPFET-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1cccc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1F ZINC000347334091 1027752527 /nfs/dbraw/zinc/75/25/27/1027752527.db2.gz MFDIBLJNZNWTET-WMLDXEAASA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1cccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1F ZINC000347334091 1027752541 /nfs/dbraw/zinc/75/25/41/1027752541.db2.gz MFDIBLJNZNWTET-WMLDXEAASA-N 1 2 342.439 3.698 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948459 1027912589 /nfs/dbraw/zinc/91/25/89/1027912589.db2.gz NZGIRGAXCQMLNO-OLZOCXBDSA-N 1 2 339.361 3.550 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948459 1027912605 /nfs/dbraw/zinc/91/26/05/1027912605.db2.gz NZGIRGAXCQMLNO-OLZOCXBDSA-N 1 2 339.361 3.550 20 30 EHEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245938334 1029521251 /nfs/dbraw/zinc/52/12/51/1029521251.db2.gz ANUCDKSZERRLIZ-NEPJUHHUSA-N 1 2 342.390 3.785 20 30 EHEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245938334 1029521258 /nfs/dbraw/zinc/52/12/58/1029521258.db2.gz ANUCDKSZERRLIZ-NEPJUHHUSA-N 1 2 342.390 3.785 20 30 EHEDLO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245938336 1029521835 /nfs/dbraw/zinc/52/18/35/1029521835.db2.gz ANUCDKSZERRLIZ-VXGBXAGGSA-N 1 2 342.390 3.785 20 30 EHEDLO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000245938336 1029521841 /nfs/dbraw/zinc/52/18/41/1029521841.db2.gz ANUCDKSZERRLIZ-VXGBXAGGSA-N 1 2 342.390 3.785 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C)(C#N)CC1 ZINC000272651223 1029552501 /nfs/dbraw/zinc/55/25/01/1029552501.db2.gz ZKBYQWCFVSRKDY-GFCCVEGCSA-N 1 2 339.361 3.658 20 30 EHEDLO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)CC#N)o2)c([N+](=O)[O-])c1 ZINC000093090801 1030558865 /nfs/dbraw/zinc/55/88/65/1030558865.db2.gz JWBUQGITYSTOKY-GFCCVEGCSA-N 1 2 329.356 3.597 20 30 EHEDLO COc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)CC#N)o2)c([N+](=O)[O-])c1 ZINC000093090801 1030558873 /nfs/dbraw/zinc/55/88/73/1030558873.db2.gz JWBUQGITYSTOKY-GFCCVEGCSA-N 1 2 329.356 3.597 20 30 EHEDLO Nc1c(Br)cc(Br)cc1C=[NH+]OCC1CC1 ZINC000309514470 1030571591 /nfs/dbraw/zinc/57/15/91/1030571591.db2.gz QWVQBAPBMKJDAA-UHFFFAOYSA-N 1 2 348.038 3.554 20 30 EHEDLO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000482867005 1030760881 /nfs/dbraw/zinc/76/08/81/1030760881.db2.gz NHISNVMFUAKLLD-INIZCTEOSA-N 1 2 348.450 3.991 20 30 EHEDLO C=CC[N@H+](Cc1ccnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000448334720 1030970221 /nfs/dbraw/zinc/97/02/21/1030970221.db2.gz KFCRXRXFWGBPMY-UHFFFAOYSA-N 1 2 328.419 3.932 20 30 EHEDLO C=CC[N@@H+](Cc1ccnn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000448334720 1030970234 /nfs/dbraw/zinc/97/02/34/1030970234.db2.gz KFCRXRXFWGBPMY-UHFFFAOYSA-N 1 2 328.419 3.932 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760537059 1031106695 /nfs/dbraw/zinc/10/66/95/1031106695.db2.gz ANAXBAOGMGJVJM-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760537059 1031106700 /nfs/dbraw/zinc/10/67/00/1031106700.db2.gz ANAXBAOGMGJVJM-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO COc1ccc(Cl)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000483579729 1031225290 /nfs/dbraw/zinc/22/52/90/1031225290.db2.gz GXAWJMITPACONG-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO N#Cc1ccccc1COc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000483829143 1031357861 /nfs/dbraw/zinc/35/78/61/1031357861.db2.gz CYEIWEATWHVMKK-UHFFFAOYSA-N 1 2 333.366 3.705 20 30 EHEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000329691467 1031826951 /nfs/dbraw/zinc/82/69/51/1031826951.db2.gz DKNRRXGOEUDYAB-WNRNVDISSA-N 1 2 344.503 3.965 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C3\COc4c(F)ccc(F)c4C3=O)n21 ZINC000783712663 1031849230 /nfs/dbraw/zinc/84/92/30/1031849230.db2.gz WGBGSBCQPWYGCP-YRNVUSSQSA-N 1 2 326.302 3.580 20 30 EHEDLO CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000180781822 1031908597 /nfs/dbraw/zinc/90/85/97/1031908597.db2.gz KGNLXRKLWMODRZ-HNNXBMFYSA-N 1 2 336.420 3.942 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887840 1034020191 /nfs/dbraw/zinc/02/01/91/1034020191.db2.gz UOFBAVOSMTVHDN-CQSZACIVSA-N 1 2 326.362 3.641 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595887840 1034020201 /nfs/dbraw/zinc/02/02/01/1034020201.db2.gz UOFBAVOSMTVHDN-CQSZACIVSA-N 1 2 326.362 3.641 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685521 1034113075 /nfs/dbraw/zinc/11/30/75/1034113075.db2.gz FFMVPEWCZDDVOF-QGZVFWFLSA-N 1 2 347.462 3.755 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685521 1034113081 /nfs/dbraw/zinc/11/30/81/1034113081.db2.gz FFMVPEWCZDDVOF-QGZVFWFLSA-N 1 2 347.462 3.755 20 30 EHEDLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1C#N ZINC000456122806 1034131832 /nfs/dbraw/zinc/13/18/32/1034131832.db2.gz WTKUNWQDDXEJFQ-CQSZACIVSA-N 1 2 338.411 3.517 20 30 EHEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000537618897 1034205657 /nfs/dbraw/zinc/20/56/57/1034205657.db2.gz PFEKJODKKAESPC-WBVHZDCISA-N 1 2 332.469 3.564 20 30 EHEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000537618897 1034205673 /nfs/dbraw/zinc/20/56/73/1034205673.db2.gz PFEKJODKKAESPC-WBVHZDCISA-N 1 2 332.469 3.564 20 30 EHEDLO CCCCn1c(SCC2(C#N)CCC2)nnc1[C@H](CC)[NH+](C)C ZINC000450590119 1034561207 /nfs/dbraw/zinc/56/12/07/1034561207.db2.gz IBIMMDFXVOLSSW-AWEZNQCLSA-N 1 2 335.521 3.877 20 30 EHEDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CCC1 ZINC000597159912 1034568578 /nfs/dbraw/zinc/56/85/78/1034568578.db2.gz UBLPUSAYSDRWMR-UHFFFAOYSA-N 1 2 340.467 3.938 20 30 EHEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CCC1 ZINC000597159912 1034568588 /nfs/dbraw/zinc/56/85/88/1034568588.db2.gz UBLPUSAYSDRWMR-UHFFFAOYSA-N 1 2 340.467 3.938 20 30 EHEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1OCc1ccc(F)cc1 ZINC000597191304 1034576851 /nfs/dbraw/zinc/57/68/51/1034576851.db2.gz DSQJNFXNJUQIHE-UHFFFAOYSA-N 1 2 340.398 3.759 20 30 EHEDLO C[C@]1(C#N)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000597228847 1034609271 /nfs/dbraw/zinc/60/92/71/1034609271.db2.gz HHPYSJHRGCTWNF-OAQYLSRUSA-N 1 2 343.434 3.670 20 30 EHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000597228847 1034609276 /nfs/dbraw/zinc/60/92/76/1034609276.db2.gz HHPYSJHRGCTWNF-OAQYLSRUSA-N 1 2 343.434 3.670 20 30 EHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597230937 1034614220 /nfs/dbraw/zinc/61/42/20/1034614220.db2.gz VGJSFORNTVTJOS-NRFANRHFSA-N 1 2 331.419 3.873 20 30 EHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597230937 1034614225 /nfs/dbraw/zinc/61/42/25/1034614225.db2.gz VGJSFORNTVTJOS-NRFANRHFSA-N 1 2 331.419 3.873 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000491229596 1034702569 /nfs/dbraw/zinc/70/25/69/1034702569.db2.gz IKZGZPGXDXVAFL-CQSZACIVSA-N 1 2 327.737 3.563 20 30 EHEDLO COCCCOc1cc(C)ccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602009837 1034857723 /nfs/dbraw/zinc/85/77/23/1034857723.db2.gz BARZKEOCMMZPKG-UHFFFAOYSA-N 1 2 342.414 3.711 20 30 EHEDLO COc1ccc(OC2CC[NH+](Cc3cccc(F)c3C#N)CC2)cc1 ZINC000581762591 1035541106 /nfs/dbraw/zinc/54/11/06/1035541106.db2.gz GHXZKFWNSYXQLX-UHFFFAOYSA-N 1 2 340.398 3.749 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000492399803 1035725766 /nfs/dbraw/zinc/72/57/66/1035725766.db2.gz KELIFJXCCFDINI-SFHVURJKSA-N 1 2 342.826 3.600 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492399803 1035725780 /nfs/dbraw/zinc/72/57/80/1035725780.db2.gz KELIFJXCCFDINI-SFHVURJKSA-N 1 2 342.826 3.600 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccc(OC)cc1 ZINC000122584262 1035870287 /nfs/dbraw/zinc/87/02/87/1035870287.db2.gz FTHZDISNJZHDIZ-OAHLLOKOSA-N 1 2 344.480 3.622 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccc(OC)cc1 ZINC000122584262 1035870306 /nfs/dbraw/zinc/87/03/06/1035870306.db2.gz FTHZDISNJZHDIZ-OAHLLOKOSA-N 1 2 344.480 3.622 20 30 EHEDLO N#Cc1nc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1C(F)(F)F ZINC000443442722 1035896409 /nfs/dbraw/zinc/89/64/09/1035896409.db2.gz XKZXMVBBRLBKDG-UHFFFAOYSA-N 1 2 347.344 3.523 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)c1C#N ZINC000535208678 1036165886 /nfs/dbraw/zinc/16/58/86/1036165886.db2.gz YETTZHKQWZQLJM-KSSFIOAISA-N 1 2 338.407 3.911 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)c1C#N ZINC000535208678 1036165896 /nfs/dbraw/zinc/16/58/96/1036165896.db2.gz YETTZHKQWZQLJM-KSSFIOAISA-N 1 2 338.407 3.911 20 30 EHEDLO N#CCN1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000102658348 1036247967 /nfs/dbraw/zinc/24/79/67/1036247967.db2.gz YQJZWHMAASOQKS-LJQANCHMSA-N 1 2 325.843 3.571 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000103139151 1036849848 /nfs/dbraw/zinc/84/98/48/1036849848.db2.gz UOJFYBYEKXPXAI-KRWDZBQOSA-N 1 2 330.428 3.940 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000103139151 1036849868 /nfs/dbraw/zinc/84/98/68/1036849868.db2.gz UOJFYBYEKXPXAI-KRWDZBQOSA-N 1 2 330.428 3.940 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000542139786 1037100168 /nfs/dbraw/zinc/10/01/68/1037100168.db2.gz AFBTWHBNVKZXSI-MJGOQNOKSA-N 1 2 340.471 3.895 20 30 EHEDLO COc1cc2c(cc1C[N@H+](C)Cc1cc(C#N)ccc1F)O[C@@H](C)C2 ZINC000532501582 1037528380 /nfs/dbraw/zinc/52/83/80/1037528380.db2.gz DHTSJYVRRSUFNW-ZDUSSCGKSA-N 1 2 340.398 3.661 20 30 EHEDLO COc1cc2c(cc1C[N@@H+](C)Cc1cc(C#N)ccc1F)O[C@@H](C)C2 ZINC000532501582 1037528386 /nfs/dbraw/zinc/52/83/86/1037528386.db2.gz DHTSJYVRRSUFNW-ZDUSSCGKSA-N 1 2 340.398 3.661 20 30 EHEDLO CC[N@H+](CCC1CC1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000760879127 1037566260 /nfs/dbraw/zinc/56/62/60/1037566260.db2.gz AVTPPEYUMKDFPM-CQSZACIVSA-N 1 2 327.453 3.595 20 30 EHEDLO CC[N@@H+](CCC1CC1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000760879127 1037566269 /nfs/dbraw/zinc/56/62/69/1037566269.db2.gz AVTPPEYUMKDFPM-CQSZACIVSA-N 1 2 327.453 3.595 20 30 EHEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000573860901 1037788290 /nfs/dbraw/zinc/78/82/90/1037788290.db2.gz PUELZJKDVWCQFB-APWZRJJASA-N 1 2 335.451 3.886 20 30 EHEDLO CC[C@@H]([NH2+]Cc1nnc(C(C)(C)C)s1)c1cccc(C#N)c1O ZINC000925519538 1038031870 /nfs/dbraw/zinc/03/18/70/1038031870.db2.gz SJDQUXHYHCTXBK-CYBMUJFWSA-N 1 2 330.457 3.654 20 30 EHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)nc1C ZINC000488261744 1039019848 /nfs/dbraw/zinc/01/98/48/1039019848.db2.gz FLEIADRFNKSXGK-CYBMUJFWSA-N 1 2 343.452 3.659 20 30 EHEDLO C=CC(C)(C)CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000626222643 1039105887 /nfs/dbraw/zinc/10/58/87/1039105887.db2.gz QRZBCRXLDZRVSX-UHFFFAOYSA-N 1 2 336.505 3.853 20 30 EHEDLO CC[N@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488557102 1039268983 /nfs/dbraw/zinc/26/89/83/1039268983.db2.gz SWVGTSFDPUVQDL-KBXCAEBGSA-N 1 2 335.879 3.605 20 30 EHEDLO CC[N@@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488557102 1039268996 /nfs/dbraw/zinc/26/89/96/1039268996.db2.gz SWVGTSFDPUVQDL-KBXCAEBGSA-N 1 2 335.879 3.605 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000480873461 1040109894 /nfs/dbraw/zinc/10/98/94/1040109894.db2.gz KMBNQUIBVGMLMC-UHFFFAOYSA-N 1 2 326.783 3.719 20 30 EHEDLO C[C@@H](N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1)C(F)(F)F ZINC000614169571 1040342965 /nfs/dbraw/zinc/34/29/65/1040342965.db2.gz DWOOMJKPZRTNIZ-CQSZACIVSA-N 1 2 339.405 3.556 20 30 EHEDLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433034636 1040535092 /nfs/dbraw/zinc/53/50/92/1040535092.db2.gz ZEPVBAJVPLMOIF-HOCLYGCPSA-N 1 2 328.416 3.692 20 30 EHEDLO C=C(C)C[N@@H+](C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000481272446 1040589880 /nfs/dbraw/zinc/58/98/80/1040589880.db2.gz WBHKGLWDMSXASI-UHFFFAOYSA-N 1 2 343.496 3.949 20 30 EHEDLO C=C(C)C[N@H+](C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000481272446 1040589892 /nfs/dbraw/zinc/58/98/92/1040589892.db2.gz WBHKGLWDMSXASI-UHFFFAOYSA-N 1 2 343.496 3.949 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000364285019 1040684700 /nfs/dbraw/zinc/68/47/00/1040684700.db2.gz UIFZFFLHKIQEHD-LSDHHAIUSA-N 1 2 344.352 3.675 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000364285019 1040684708 /nfs/dbraw/zinc/68/47/08/1040684708.db2.gz UIFZFFLHKIQEHD-LSDHHAIUSA-N 1 2 344.352 3.675 20 30 EHEDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000128488465 1041696250 /nfs/dbraw/zinc/69/62/50/1041696250.db2.gz JIFXFGQBUBIGBH-NSHDSACASA-N 1 2 331.803 3.572 20 30 EHEDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000128488465 1041696256 /nfs/dbraw/zinc/69/62/56/1041696256.db2.gz JIFXFGQBUBIGBH-NSHDSACASA-N 1 2 331.803 3.572 20 30 EHEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(OCCOC)o1)c1ccc(F)c(F)c1 ZINC000893669464 1043786689 /nfs/dbraw/zinc/78/66/89/1043786689.db2.gz XRZKRQCEIISESD-GOSISDBHSA-N 1 2 337.366 3.990 20 30 EHEDLO CC(C)c1nnc(C[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000344686465 1044275318 /nfs/dbraw/zinc/27/53/18/1044275318.db2.gz SAUZMSHVWSDAGY-UHFFFAOYSA-N 1 2 330.457 3.634 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000180533864 1127169391 /nfs/dbraw/zinc/16/93/91/1127169391.db2.gz VIVKJUPLRBIFOB-QGZVFWFLSA-N 1 2 340.471 3.518 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+]2CC[C@H](C)C2)c1=S ZINC000764965264 1127559941 /nfs/dbraw/zinc/55/99/41/1127559941.db2.gz UPKQJQOTSHBCHN-AWEZNQCLSA-N 1 2 344.484 3.575 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+]2CC[C@H](C)C2)c1=S ZINC000764965264 1127559943 /nfs/dbraw/zinc/55/99/43/1127559943.db2.gz UPKQJQOTSHBCHN-AWEZNQCLSA-N 1 2 344.484 3.575 20 30 EHEDLO C=CC[N@H+](Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000615505842 1127728802 /nfs/dbraw/zinc/72/88/02/1127728802.db2.gz DZWHEEJMCZFONM-FQEVSTJZSA-N 1 2 339.435 3.555 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000615505842 1127728806 /nfs/dbraw/zinc/72/88/06/1127728806.db2.gz DZWHEEJMCZFONM-FQEVSTJZSA-N 1 2 339.435 3.555 20 30 EHEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000265571369 1127772473 /nfs/dbraw/zinc/77/24/73/1127772473.db2.gz DXXWPJAHOUJNRH-DQIAKBPPSA-N 1 2 338.476 3.567 20 30 EHEDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000265571369 1127772476 /nfs/dbraw/zinc/77/24/76/1127772476.db2.gz DXXWPJAHOUJNRH-DQIAKBPPSA-N 1 2 338.476 3.567 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC001168580284 1128018586 /nfs/dbraw/zinc/01/85/86/1128018586.db2.gz NJRUXLQJBUOMGE-UHFFFAOYSA-N 1 2 343.814 3.813 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC001168580284 1128018590 /nfs/dbraw/zinc/01/85/90/1128018590.db2.gz NJRUXLQJBUOMGE-UHFFFAOYSA-N 1 2 343.814 3.813 20 30 EHEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(Cl)c1 ZINC000075619931 1128353306 /nfs/dbraw/zinc/35/33/06/1128353306.db2.gz UDIRGPRKMNKEGQ-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1cccc(Cl)c1 ZINC000075619931 1128353310 /nfs/dbraw/zinc/35/33/10/1128353310.db2.gz UDIRGPRKMNKEGQ-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000302837338 1128650223 /nfs/dbraw/zinc/65/02/23/1128650223.db2.gz XLGUVTKYZQQNCQ-WMZOPIPTSA-N 1 2 349.331 3.972 20 30 EHEDLO C[N@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000302837338 1128650227 /nfs/dbraw/zinc/65/02/27/1128650227.db2.gz XLGUVTKYZQQNCQ-WMZOPIPTSA-N 1 2 349.331 3.972 20 30 EHEDLO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761756045 1120881042 /nfs/dbraw/zinc/88/10/42/1120881042.db2.gz BXXBQADQIPCOPR-AHRSYUTCSA-N 1 2 328.456 3.527 20 30 EHEDLO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761756045 1120881046 /nfs/dbraw/zinc/88/10/46/1120881046.db2.gz BXXBQADQIPCOPR-AHRSYUTCSA-N 1 2 328.456 3.527 20 30 EHEDLO O=[N+]([O-])c1cc(C=[NH+]OC/C(Cl)=C\Cl)ccc1N1CCCC1 ZINC000763172786 1121777856 /nfs/dbraw/zinc/77/78/56/1121777856.db2.gz ZNQBQYASHUEZGZ-LZVGRGQCSA-N 1 2 344.198 3.865 20 30 EHEDLO Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000195103086 1123150894 /nfs/dbraw/zinc/15/08/94/1123150894.db2.gz IEPAXMLRQRNLIW-UHFFFAOYSA-N 1 2 334.398 3.633 20 30 EHEDLO Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000195103086 1123150896 /nfs/dbraw/zinc/15/08/96/1123150896.db2.gz IEPAXMLRQRNLIW-UHFFFAOYSA-N 1 2 334.398 3.633 20 30 EHEDLO CC(=[NH+]Nc1cc(F)cc(F)c1)c1cccc(N2CCOCC2)c1 ZINC000920375061 1123361521 /nfs/dbraw/zinc/36/15/21/1123361521.db2.gz QQVYIBUUOWEFFO-UHFFFAOYSA-N 1 2 331.366 3.638 20 30 EHEDLO COc1ccc2nc(C[NH2+]Cc3ccc(C#N)cc3F)sc2c1 ZINC000616089217 1123939866 /nfs/dbraw/zinc/93/98/66/1123939866.db2.gz ALVASOVYQDCZMN-UHFFFAOYSA-N 1 2 327.384 3.605 20 30 EHEDLO C[N@H+](CCOC(C)(C)C)Cc1cc(C#N)ccc1Br ZINC000617210300 1124450335 /nfs/dbraw/zinc/45/03/35/1124450335.db2.gz VAPUDXFFWBQRLE-UHFFFAOYSA-N 1 2 325.250 3.568 20 30 EHEDLO C[N@@H+](CCOC(C)(C)C)Cc1cc(C#N)ccc1Br ZINC000617210300 1124450336 /nfs/dbraw/zinc/45/03/36/1124450336.db2.gz VAPUDXFFWBQRLE-UHFFFAOYSA-N 1 2 325.250 3.568 20 30 EHEDLO Cc1ncc(CO)c(/C=[NH+]/CCCc2ccc(C(C)C)cc2)c1O ZINC000734979483 1131297974 /nfs/dbraw/zinc/29/79/74/1131297974.db2.gz QEAHQXXLZCMYQP-CIAFOILYSA-N 1 2 326.440 3.763 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619073607 1125272211 /nfs/dbraw/zinc/27/22/11/1125272211.db2.gz LWMFEDVEXQFZQU-KRWDZBQOSA-N 1 2 344.462 3.918 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000619287035 1125330144 /nfs/dbraw/zinc/33/01/44/1125330144.db2.gz PESOQRVLXYIISP-CJNGLKHVSA-N 1 2 348.372 3.825 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000619287035 1125330148 /nfs/dbraw/zinc/33/01/48/1125330148.db2.gz PESOQRVLXYIISP-CJNGLKHVSA-N 1 2 348.372 3.825 20 30 EHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000118396256 1129507878 /nfs/dbraw/zinc/50/78/78/1129507878.db2.gz YXRQSQMWDFDEHC-KRWDZBQOSA-N 1 2 339.483 3.734 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922520718 1129560492 /nfs/dbraw/zinc/56/04/92/1129560492.db2.gz ONDMKXRFRQRJNB-UYAOXDASSA-N 1 2 325.383 3.650 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2CCC(Oc3ccccc3)CC2)c1F ZINC001143164676 1129792365 /nfs/dbraw/zinc/79/23/65/1129792365.db2.gz NJIDMLCOSNIHIH-UHFFFAOYSA-N 1 2 328.362 3.880 20 30 EHEDLO CC(C)([NH2+]CC#Cc1ccc(F)cc1)c1cc(C(F)(F)F)on1 ZINC000429238668 1130171164 /nfs/dbraw/zinc/17/11/64/1130171164.db2.gz ZSBWHLGXOJYQEZ-UHFFFAOYSA-N 1 2 326.293 3.709 20 30 EHEDLO CC(C)c1ccc2c(c1)C(=NNc1cc[nH+]c3ccccc13)C(=O)N2 ZINC000730147649 1130679301 /nfs/dbraw/zinc/67/93/01/1130679301.db2.gz HGTUENXCNMJVET-UHFFFAOYSA-N 1 2 330.391 3.548 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(COCCCCCC)c1 ZINC000730280984 1130693305 /nfs/dbraw/zinc/69/33/05/1130693305.db2.gz KBKURKSKKDKSAN-FQEVSTJZSA-N 1 2 342.483 3.820 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(COCCCCCC)c1 ZINC000730280984 1130693307 /nfs/dbraw/zinc/69/33/07/1130693307.db2.gz KBKURKSKKDKSAN-FQEVSTJZSA-N 1 2 342.483 3.820 20 30 EHEDLO C=C1CC[NH+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000731032772 1130761970 /nfs/dbraw/zinc/76/19/70/1130761970.db2.gz OEFQTFCYXHLPHW-UHFFFAOYSA-N 1 2 327.472 3.658 20 30 EHEDLO CCOc1cccc(/C=[NH+]\CCc2c[nH]c3ccc(OC)cc23)c1O ZINC000733081113 1130989056 /nfs/dbraw/zinc/98/90/56/1130989056.db2.gz NPNBHFUDQSWNPH-MTJSOVHGSA-N 1 2 338.407 3.942 20 30 EHEDLO C=CCCC[N@@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000736585551 1131427223 /nfs/dbraw/zinc/42/72/23/1131427223.db2.gz SXRJZNHMGMNBES-UHFFFAOYSA-N 1 2 332.473 3.788 20 30 EHEDLO C=CCCC[N@H+](C)Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000736585551 1131427225 /nfs/dbraw/zinc/42/72/25/1131427225.db2.gz SXRJZNHMGMNBES-UHFFFAOYSA-N 1 2 332.473 3.788 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861773 1131550447 /nfs/dbraw/zinc/55/04/47/1131550447.db2.gz YOTQGDLPJHIALL-JKSUJKDBSA-N 1 2 342.512 3.879 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861773 1131550452 /nfs/dbraw/zinc/55/04/52/1131550452.db2.gz YOTQGDLPJHIALL-JKSUJKDBSA-N 1 2 342.512 3.879 20 30 EHEDLO CCCCCC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000742037743 1131685024 /nfs/dbraw/zinc/68/50/24/1131685024.db2.gz ZALCXKPTSDUTOE-GOSISDBHSA-N 1 2 341.499 3.809 20 30 EHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(O)(CC)CC2)c1=S ZINC000742172294 1131693370 /nfs/dbraw/zinc/69/33/70/1131693370.db2.gz ZABCTGVCKPXOPU-UHFFFAOYSA-N 1 2 331.485 3.553 20 30 EHEDLO N#Cc1cc(Cl)c(Cl)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672595 1131790825 /nfs/dbraw/zinc/79/08/25/1131790825.db2.gz RZTUYHNQQXWCNQ-UHFFFAOYSA-N 1 2 348.233 3.785 20 30 EHEDLO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172847983 1131870232 /nfs/dbraw/zinc/87/02/32/1131870232.db2.gz QWUCPWMQIJVUHW-ZUZCIYMTSA-N 1 2 325.836 3.684 20 30 EHEDLO C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172847983 1131870241 /nfs/dbraw/zinc/87/02/41/1131870241.db2.gz QWUCPWMQIJVUHW-ZUZCIYMTSA-N 1 2 325.836 3.684 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000743359182 1131900464 /nfs/dbraw/zinc/90/04/64/1131900464.db2.gz UGPRMPCCNCBSFR-NQIIRXRSSA-N 1 2 334.463 3.894 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000743359182 1131900468 /nfs/dbraw/zinc/90/04/68/1131900468.db2.gz UGPRMPCCNCBSFR-NQIIRXRSSA-N 1 2 334.463 3.894 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743348321 1131906522 /nfs/dbraw/zinc/90/65/22/1131906522.db2.gz LAJRFWJQCQAXRD-SFHVURJKSA-N 1 2 339.826 3.575 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743348321 1131906527 /nfs/dbraw/zinc/90/65/27/1131906527.db2.gz LAJRFWJQCQAXRD-SFHVURJKSA-N 1 2 339.826 3.575 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000743539280 1131943125 /nfs/dbraw/zinc/94/31/25/1131943125.db2.gz ZEUNDXUPOYIAKQ-MOSHPQCFSA-N 1 2 345.443 3.764 20 30 EHEDLO CC(C)n1c[nH+]c2cc(Nc3nc(C#N)c(C#N)nc3Cl)ccc21 ZINC001174382498 1132345023 /nfs/dbraw/zinc/34/50/23/1132345023.db2.gz SIFYMSXICNDNJE-UHFFFAOYSA-N 1 2 337.774 3.548 20 30 EHEDLO CC[N@H+](CCCCOc1ccc(Br)cc1)[C@H](C)C#N ZINC001174853408 1132487685 /nfs/dbraw/zinc/48/76/85/1132487685.db2.gz KFAWAVWRYOPJDE-CYBMUJFWSA-N 1 2 325.250 3.842 20 30 EHEDLO CC[N@@H+](CCCCOc1ccc(Br)cc1)[C@H](C)C#N ZINC001174853408 1132487689 /nfs/dbraw/zinc/48/76/89/1132487689.db2.gz KFAWAVWRYOPJDE-CYBMUJFWSA-N 1 2 325.250 3.842 20 30 EHEDLO CCOC(=O)c1sc(SC)c(C#N)c1Nc1c[nH+]ccc1OC ZINC001176116443 1132851640 /nfs/dbraw/zinc/85/16/40/1132851640.db2.gz DOMGGTVVRRTHMJ-UHFFFAOYSA-N 1 2 349.437 3.666 20 30 EHEDLO C#Cc1ccc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)nc1 ZINC000767093129 1132948899 /nfs/dbraw/zinc/94/88/99/1132948899.db2.gz SKTGPPJIHLVOHU-UHFFFAOYSA-N 1 2 342.402 3.515 20 30 EHEDLO N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750774 1132992970 /nfs/dbraw/zinc/99/29/70/1132992970.db2.gz WKCJBDGHLQAHCM-UHFFFAOYSA-N 1 2 348.385 3.622 20 30 EHEDLO C#CCOc1ccccc1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000769514437 1133307517 /nfs/dbraw/zinc/30/75/17/1133307517.db2.gz MZBNGJQHTGDPGN-KXBFYZLASA-N 1 2 327.449 3.722 20 30 EHEDLO C#CCOc1ccccc1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000769514437 1133307519 /nfs/dbraw/zinc/30/75/19/1133307519.db2.gz MZBNGJQHTGDPGN-KXBFYZLASA-N 1 2 327.449 3.722 20 30 EHEDLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000770390863 1133421420 /nfs/dbraw/zinc/42/14/20/1133421420.db2.gz LVYLTFDERAPVHC-NRFANRHFSA-N 1 2 348.446 3.845 20 30 EHEDLO CC1(C)Cc2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000770390863 1133421424 /nfs/dbraw/zinc/42/14/24/1133421424.db2.gz LVYLTFDERAPVHC-NRFANRHFSA-N 1 2 348.446 3.845 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)Nc1cc(C#N)ccn1)c1ccccc1Cl ZINC001182217663 1133597352 /nfs/dbraw/zinc/59/73/52/1133597352.db2.gz BZQAOQQEYRFMQM-QGZVFWFLSA-N 1 2 342.830 3.628 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1Cl ZINC001182222524 1133598813 /nfs/dbraw/zinc/59/88/13/1133598813.db2.gz FKFBXXMVTLRMNF-PBHICJAKSA-N 1 2 335.879 3.777 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)N1CCCC[C@@H]1C#N)c1ccccc1Cl ZINC001182220105 1133598824 /nfs/dbraw/zinc/59/88/24/1133598824.db2.gz IWNWOLDHBOLEMT-PBHICJAKSA-N 1 2 333.863 3.628 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cnn(-c4ccccc4)c3)n2c1 ZINC000771862117 1133602663 /nfs/dbraw/zinc/60/26/63/1133602663.db2.gz YLLIMJHGSRYAQE-CMDGGOBGSA-N 1 2 328.375 3.725 20 30 EHEDLO COc1cc(F)c(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1OC ZINC000771857532 1133608653 /nfs/dbraw/zinc/60/86/53/1133608653.db2.gz FLJHERRUGHOTKN-AATRIKPKSA-N 1 2 340.354 3.695 20 30 EHEDLO C[C@@H]1CCCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183830096 1133862311 /nfs/dbraw/zinc/86/23/11/1133862311.db2.gz ZZIGADMPGRHOEU-YLJYHZDGSA-N 1 2 339.483 3.561 20 30 EHEDLO C[C@@H]1CCCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183830096 1133862316 /nfs/dbraw/zinc/86/23/16/1133862316.db2.gz ZZIGADMPGRHOEU-YLJYHZDGSA-N 1 2 339.483 3.561 20 30 EHEDLO C=CCCC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)c1ccccc1 ZINC001183850722 1133864303 /nfs/dbraw/zinc/86/43/03/1133864303.db2.gz YOGQDCCHZDKWTD-MOPGFXCFSA-N 1 2 332.463 3.677 20 30 EHEDLO C=CCCC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)c1ccccc1 ZINC001183850722 1133864310 /nfs/dbraw/zinc/86/43/10/1133864310.db2.gz YOGQDCCHZDKWTD-MOPGFXCFSA-N 1 2 332.463 3.677 20 30 EHEDLO N#Cc1ccccc1Oc1ccccc1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792110245 1134651260 /nfs/dbraw/zinc/65/12/60/1134651260.db2.gz AHZPSLQAIQALCW-UHFFFAOYSA-N 1 2 345.358 3.685 20 30 EHEDLO C#CC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1 ZINC000775398758 1134724587 /nfs/dbraw/zinc/72/45/87/1134724587.db2.gz AZTZXLKJIFQMRA-MRXNPFEDSA-N 1 2 337.810 3.843 20 30 EHEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)cs1)Cc1cccc(C#N)c1 ZINC001190643142 1134730792 /nfs/dbraw/zinc/73/07/92/1134730792.db2.gz JWAZWTCPLRFDOL-UHFFFAOYSA-N 1 2 326.421 3.595 20 30 EHEDLO C=CC[N@H+](Cc1cc(C(=O)OC)cs1)Cc1cccc(C#N)c1 ZINC001190643142 1134730798 /nfs/dbraw/zinc/73/07/98/1134730798.db2.gz JWAZWTCPLRFDOL-UHFFFAOYSA-N 1 2 326.421 3.595 20 30 EHEDLO C#CC[N@@H+](CC)CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC001191390860 1134853822 /nfs/dbraw/zinc/85/38/22/1134853822.db2.gz RGHKRGMJOQPWFW-UHFFFAOYSA-N 1 2 347.871 3.666 20 30 EHEDLO C#CC[N@H+](CC)CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC001191390860 1134853829 /nfs/dbraw/zinc/85/38/29/1134853829.db2.gz RGHKRGMJOQPWFW-UHFFFAOYSA-N 1 2 347.871 3.666 20 30 EHEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC2(CCC2)O1 ZINC001195758963 1135461044 /nfs/dbraw/zinc/46/10/44/1135461044.db2.gz YXQURYRQDJTETR-CQSZACIVSA-N 1 2 339.357 3.580 20 30 EHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC2(CCC2)O1 ZINC001195758963 1135461047 /nfs/dbraw/zinc/46/10/47/1135461047.db2.gz YXQURYRQDJTETR-CQSZACIVSA-N 1 2 339.357 3.580 20 30 EHEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](CC)CO1 ZINC001195861689 1135478389 /nfs/dbraw/zinc/47/83/89/1135478389.db2.gz KMYAMFLIBYHDGV-LSDHHAIUSA-N 1 2 326.362 3.966 20 30 EHEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](CC)CO1 ZINC001195861689 1135478392 /nfs/dbraw/zinc/47/83/92/1135478392.db2.gz KMYAMFLIBYHDGV-LSDHHAIUSA-N 1 2 326.362 3.966 20 30 EHEDLO Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c(Cl)c1 ZINC001197041345 1135641125 /nfs/dbraw/zinc/64/11/25/1135641125.db2.gz LXHBCRYGHNWDAC-UHFFFAOYSA-N 1 2 343.833 3.981 20 30 EHEDLO C=CCOc1c(Cl)cc(CNc2ccc(N(C)C)c[nH+]2)cc1OC ZINC001201179964 1135992581 /nfs/dbraw/zinc/99/25/81/1135992581.db2.gz PJQRJIMGHBXJFA-UHFFFAOYSA-N 1 2 347.846 3.987 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@@H](C#N)c2nccc3ccccc32)C1 ZINC000810715907 1135996214 /nfs/dbraw/zinc/99/62/14/1135996214.db2.gz CNDCXCWZFNAVSE-OXJNMPFZSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@@H](C#N)c2nccc3ccccc32)C1 ZINC000810715907 1135996216 /nfs/dbraw/zinc/99/62/16/1135996216.db2.gz CNDCXCWZFNAVSE-OXJNMPFZSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)C(C#N)c2nccc3ccccc32)C1 ZINC000810715907 1135996217 /nfs/dbraw/zinc/99/62/17/1135996217.db2.gz CNDCXCWZFNAVSE-OXJNMPFZSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)C(C#N)c2nccc3ccccc32)C1 ZINC000810715907 1135996220 /nfs/dbraw/zinc/99/62/20/1135996220.db2.gz CNDCXCWZFNAVSE-OXJNMPFZSA-N 1 2 339.414 3.624 20 30 EHEDLO CCCCCCCCCC[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001201875435 1136071856 /nfs/dbraw/zinc/07/18/56/1136071856.db2.gz ZXRSQAQKMVHKLW-MRXNPFEDSA-N 1 2 333.513 3.586 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@@H+](C(C)C)[C@H]2CCOC2)c1=S ZINC000812291075 1136192192 /nfs/dbraw/zinc/19/21/92/1136192192.db2.gz JXUMZTZCFCEFBY-HNNXBMFYSA-N 1 2 331.485 3.815 20 30 EHEDLO C=CCn1c2ccccc2n(C[N@H+](C(C)C)[C@H]2CCOC2)c1=S ZINC000812291075 1136192194 /nfs/dbraw/zinc/19/21/94/1136192194.db2.gz JXUMZTZCFCEFBY-HNNXBMFYSA-N 1 2 331.485 3.815 20 30 EHEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000812350840 1136197311 /nfs/dbraw/zinc/19/73/11/1136197311.db2.gz CHPRMVKLGFOCAG-SFHVURJKSA-N 1 2 335.794 3.630 20 30 EHEDLO C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000851207933 1136351451 /nfs/dbraw/zinc/35/14/51/1136351451.db2.gz KAKBGHPSBZKYIZ-PBHICJAKSA-N 1 2 332.419 3.662 20 30 EHEDLO C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000851207933 1136351455 /nfs/dbraw/zinc/35/14/55/1136351455.db2.gz KAKBGHPSBZKYIZ-PBHICJAKSA-N 1 2 332.419 3.662 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000852324579 1136448530 /nfs/dbraw/zinc/44/85/30/1136448530.db2.gz BFXDSZQYGJCYCW-LJQANCHMSA-N 1 2 341.455 3.870 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000852324579 1136448531 /nfs/dbraw/zinc/44/85/31/1136448531.db2.gz BFXDSZQYGJCYCW-LJQANCHMSA-N 1 2 341.455 3.870 20 30 EHEDLO CCc1cc2oc(=O)cc(C[N@H+](C)CC(C)(C)C#N)c2cc1Cl ZINC000814666592 1136491733 /nfs/dbraw/zinc/49/17/33/1136491733.db2.gz IGFJUABWTRMBMN-UHFFFAOYSA-N 1 2 332.831 3.990 20 30 EHEDLO CCc1cc2oc(=O)cc(C[N@@H+](C)CC(C)(C)C#N)c2cc1Cl ZINC000814666592 1136491735 /nfs/dbraw/zinc/49/17/35/1136491735.db2.gz IGFJUABWTRMBMN-UHFFFAOYSA-N 1 2 332.831 3.990 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@H](C[C@@H](C)O)c1ccccc1 ZINC000853445716 1136533124 /nfs/dbraw/zinc/53/31/24/1136533124.db2.gz VLRXBZHUISQMFK-MJGOQNOKSA-N 1 2 338.451 3.840 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)C1 ZINC000853536971 1136542173 /nfs/dbraw/zinc/54/21/73/1136542173.db2.gz LLFLIFQIXGATEP-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)C1 ZINC000853536971 1136542176 /nfs/dbraw/zinc/54/21/76/1136542176.db2.gz LLFLIFQIXGATEP-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO CCCCCOc1ccc(C=NOCc2ccc[nH+]c2N)cc1OC ZINC000853642676 1136552346 /nfs/dbraw/zinc/55/23/46/1136552346.db2.gz QNNMRZXUBJDRAR-UHFFFAOYSA-N 1 2 343.427 3.792 20 30 EHEDLO C#C[C@@H](C)[N@H+](C)Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000859279818 1137010483 /nfs/dbraw/zinc/01/04/83/1137010483.db2.gz BFQGGQSCWWTYEO-SNVBAGLBSA-N 1 2 326.293 3.953 20 30 EHEDLO C#C[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000859279818 1137010484 /nfs/dbraw/zinc/01/04/84/1137010484.db2.gz BFQGGQSCWWTYEO-SNVBAGLBSA-N 1 2 326.293 3.953 20 30 EHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cncc(-c3ccccc3)c2)cc1 ZINC001170985180 1137055787 /nfs/dbraw/zinc/05/57/87/1137055787.db2.gz MBDKUMZMEWWRMT-UHFFFAOYSA-N 1 2 331.375 3.572 20 30 EHEDLO Cc1ccc(Nc2nc(Cl)c(C=[NH+]NCC(C)(C)O)s2)cc1 ZINC000863140386 1137171707 /nfs/dbraw/zinc/17/17/07/1137171707.db2.gz IXRJCSPURBVFAS-UHFFFAOYSA-N 1 2 338.864 3.543 20 30 EHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(O)(Cc2ccccc2)CC1 ZINC001143716085 1137191538 /nfs/dbraw/zinc/19/15/38/1137191538.db2.gz CZFRZOZPXNTPDO-UHFFFAOYSA-N 1 2 340.854 3.781 20 30 EHEDLO CCc1nnc(C2CC[NH+](Cc3c(Cl)cccc3C#N)CC2)o1 ZINC001143731125 1137194696 /nfs/dbraw/zinc/19/46/96/1137194696.db2.gz LWYSQXQJIOBYBU-UHFFFAOYSA-N 1 2 330.819 3.537 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccccc2OC(F)F)s1 ZINC000794692310 1137233874 /nfs/dbraw/zinc/23/38/74/1137233874.db2.gz VQRPGZAKXSBGRV-FPLPWBNLSA-N 1 2 338.379 3.702 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2/COc3ccc(Cl)cc3C2=O)s1 ZINC000794710961 1137242314 /nfs/dbraw/zinc/24/23/14/1137242314.db2.gz KWWYNFFFMLMQPD-YHYXMXQVSA-N 1 2 334.828 3.517 20 30 EHEDLO COc1cc(Cl)cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001144489556 1137299925 /nfs/dbraw/zinc/29/99/25/1137299925.db2.gz IOPHAMBOWLMAKI-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)cc1 ZINC001144567233 1137311019 /nfs/dbraw/zinc/31/10/19/1137311019.db2.gz FDAFPXQRZXAWGB-MRXNPFEDSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3c(F)cc(O)cc3F)C2)cc1 ZINC001144567233 1137311021 /nfs/dbraw/zinc/31/10/21/1137311021.db2.gz FDAFPXQRZXAWGB-MRXNPFEDSA-N 1 2 344.361 3.585 20 30 EHEDLO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866310289 1137344344 /nfs/dbraw/zinc/34/43/44/1137344344.db2.gz FZCXAOFEULIEDI-VQCLRJIVSA-N 1 2 344.455 3.815 20 30 EHEDLO O=C1c2cn(-c3ccccc3)nc2CC/C1=C/c1cccc2[nH+]ccn21 ZINC000794959135 1137379906 /nfs/dbraw/zinc/37/99/06/1137379906.db2.gz XGIZGBBFLIGGIM-SQFISAMPSA-N 1 2 340.386 3.733 20 30 EHEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171365632 1137457657 /nfs/dbraw/zinc/45/76/57/1137457657.db2.gz JDXZOAVWJKFWDC-KRWDZBQOSA-N 1 2 327.378 3.633 20 30 EHEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171365632 1137457658 /nfs/dbraw/zinc/45/76/58/1137457658.db2.gz JDXZOAVWJKFWDC-KRWDZBQOSA-N 1 2 327.378 3.633 20 30 EHEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC001171373527 1137461322 /nfs/dbraw/zinc/46/13/22/1137461322.db2.gz SXBBBJAKOCEVIO-INIZCTEOSA-N 1 2 339.439 3.656 20 30 EHEDLO C=CCC(C)(C)c1noc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872182204 1137575516 /nfs/dbraw/zinc/57/55/16/1137575516.db2.gz IFNWUOKWBOXVGQ-GFCCVEGCSA-N 1 2 325.334 3.990 20 30 EHEDLO C=CCCC[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000883143233 1137846214 /nfs/dbraw/zinc/84/62/14/1137846214.db2.gz FILDLLOFMQITOJ-AEFFLSMTSA-N 1 2 326.444 3.668 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883593571 1137865000 /nfs/dbraw/zinc/86/50/00/1137865000.db2.gz MBPQMWITDVUREZ-SJLPKXTDSA-N 1 2 326.444 3.668 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)on1 ZINC000331898720 1137925027 /nfs/dbraw/zinc/92/50/27/1137925027.db2.gz YNADUNZTNGBTBD-HNNXBMFYSA-N 1 2 346.228 3.954 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)on1 ZINC000331898720 1137925028 /nfs/dbraw/zinc/92/50/28/1137925028.db2.gz YNADUNZTNGBTBD-HNNXBMFYSA-N 1 2 346.228 3.954 20 30 EHEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000023667272 1137965415 /nfs/dbraw/zinc/96/54/15/1137965415.db2.gz XJERJPSUGKDGCE-SNVBAGLBSA-N 1 2 335.379 3.529 20 30 EHEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000023667272 1137965416 /nfs/dbraw/zinc/96/54/16/1137965416.db2.gz XJERJPSUGKDGCE-SNVBAGLBSA-N 1 2 335.379 3.529 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076804996 1138134845 /nfs/dbraw/zinc/13/48/45/1138134845.db2.gz YVVRPMIFKQJCIK-CQSZACIVSA-N 1 2 329.425 3.769 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076804996 1138134846 /nfs/dbraw/zinc/13/48/46/1138134846.db2.gz YVVRPMIFKQJCIK-CQSZACIVSA-N 1 2 329.425 3.769 20 30 EHEDLO C=CC[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1cccs1 ZINC000338381512 1138875305 /nfs/dbraw/zinc/87/53/05/1138875305.db2.gz NGGQKYNKCYBWSO-UHFFFAOYSA-N 1 2 340.492 3.927 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)Cc1cccs1 ZINC000338381512 1138875314 /nfs/dbraw/zinc/87/53/14/1138875314.db2.gz NGGQKYNKCYBWSO-UHFFFAOYSA-N 1 2 340.492 3.927 20 30 EHEDLO C#CC[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000888030195 1139049837 /nfs/dbraw/zinc/04/98/37/1139049837.db2.gz YZMLFBLCWNTHGC-MRXNPFEDSA-N 1 2 348.450 3.764 20 30 EHEDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175142491 1139466252 /nfs/dbraw/zinc/46/62/52/1139466252.db2.gz SEJLZBFXMCFKRJ-SFHVURJKSA-N 1 2 347.422 3.674 20 30 EHEDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000175142491 1139466255 /nfs/dbraw/zinc/46/62/55/1139466255.db2.gz SEJLZBFXMCFKRJ-SFHVURJKSA-N 1 2 347.422 3.674 20 30 EHEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)c(C#N)c1C ZINC000181742766 1139927295 /nfs/dbraw/zinc/92/72/95/1139927295.db2.gz OLORVNRQOJFKOW-SNVBAGLBSA-N 1 2 349.793 3.850 20 30 EHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184894280 1140124694 /nfs/dbraw/zinc/12/46/94/1140124694.db2.gz WHDDLXVCBCAXTC-HZPDHXFCSA-N 1 2 339.439 3.581 20 30 EHEDLO N#Cc1cnc2ccccc2c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000266102697 1140641111 /nfs/dbraw/zinc/64/11/11/1140641111.db2.gz QLCBMVXOMQQJBS-UHFFFAOYSA-N 1 2 329.407 3.714 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C#N)cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000270528294 1141236417 /nfs/dbraw/zinc/23/64/17/1141236417.db2.gz UALPOHMOYYILBD-MLGOLLRUSA-N 1 2 345.244 3.605 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1F ZINC000339224039 1141533789 /nfs/dbraw/zinc/53/37/89/1141533789.db2.gz WQJDQJWBJICQKE-OAHLLOKOSA-N 1 2 346.471 3.922 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1F ZINC000339224039 1141533791 /nfs/dbraw/zinc/53/37/91/1141533791.db2.gz WQJDQJWBJICQKE-OAHLLOKOSA-N 1 2 346.471 3.922 20 30 EHEDLO N#Cc1cscc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000339550402 1014810930 /nfs/dbraw/zinc/81/09/30/1014810930.db2.gz HCCKYALIEJLTLR-UHFFFAOYSA-N 1 2 328.784 3.711 20 30 EHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328641906 1016260970 /nfs/dbraw/zinc/26/09/70/1016260970.db2.gz DLYRLCWOOPYPPT-YESZJQIVSA-N 1 2 344.503 3.624 20 30 EHEDLO C=CCC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000178466993 1016683459 /nfs/dbraw/zinc/68/34/59/1016683459.db2.gz KEQCLWOPBXCLCT-SFHVURJKSA-N 1 2 334.423 3.841 20 30 EHEDLO CC[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1cccc(C#N)c1O ZINC000924660710 1032288523 /nfs/dbraw/zinc/28/85/23/1032288523.db2.gz WLPNTDNCTUDGFR-LJQANCHMSA-N 1 2 340.423 3.530 20 30 EHEDLO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185065220 1032359162 /nfs/dbraw/zinc/35/91/62/1032359162.db2.gz ONWNQQMZUFMAQQ-ZDUSSCGKSA-N 1 2 339.345 3.717 20 30 EHEDLO Cc1cccn2cc(C[S@](=O)Cc3c(C)cc(C#N)cc3C)[nH+]c12 ZINC000905191378 1032366424 /nfs/dbraw/zinc/36/64/24/1032366424.db2.gz VFFJNKKGHWZFKB-DEOSSOPVSA-N 1 2 337.448 3.580 20 30 EHEDLO Cc1cccc(NCCSCc2csc(C[NH+](C)C)n2)c1C#N ZINC001168109001 1032540081 /nfs/dbraw/zinc/54/00/81/1032540081.db2.gz WUCGLECNPPROIY-UHFFFAOYSA-N 1 2 346.525 3.730 20 30 EHEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3)n2)cc1F ZINC000559918537 1017214230 /nfs/dbraw/zinc/21/42/30/1017214230.db2.gz UGWAZVOJXTUVPH-CYBMUJFWSA-N 1 2 336.370 3.907 20 30 EHEDLO C=CCCCCCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000377040817 1017278474 /nfs/dbraw/zinc/27/84/74/1017278474.db2.gz FPTANLNWFBDYQL-QGZVFWFLSA-N 1 2 332.492 3.521 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000177206361 1017598247 /nfs/dbraw/zinc/59/82/47/1017598247.db2.gz IWFMXFYDSFHQSY-GJZGRUSLSA-N 1 2 349.525 3.535 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000177206361 1017598256 /nfs/dbraw/zinc/59/82/56/1017598256.db2.gz IWFMXFYDSFHQSY-GJZGRUSLSA-N 1 2 349.525 3.535 20 30 EHEDLO CCOCCCn1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000158975857 1017835218 /nfs/dbraw/zinc/83/52/18/1017835218.db2.gz BOEQDVKWZPGNSK-UHFFFAOYSA-N 1 2 334.423 3.947 20 30 EHEDLO C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000528763310 1032736224 /nfs/dbraw/zinc/73/62/24/1032736224.db2.gz BDFDINSZQWQNQL-AWEZNQCLSA-N 1 2 345.393 3.857 20 30 EHEDLO C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000528763310 1032736236 /nfs/dbraw/zinc/73/62/36/1032736236.db2.gz BDFDINSZQWQNQL-AWEZNQCLSA-N 1 2 345.393 3.857 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccc(F)cc4)no3)CCC2)cc1 ZINC000594032688 1032831243 /nfs/dbraw/zinc/83/12/43/1032831243.db2.gz LCHIMZXJBDVLDX-UHFFFAOYSA-N 1 2 348.381 3.916 20 30 EHEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1Cl ZINC000513252640 1019482559 /nfs/dbraw/zinc/48/25/59/1019482559.db2.gz MPAXFRIJKZATQK-UHFFFAOYSA-N 1 2 347.890 3.825 20 30 EHEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1Cl ZINC000513252640 1019482571 /nfs/dbraw/zinc/48/25/71/1019482571.db2.gz MPAXFRIJKZATQK-UHFFFAOYSA-N 1 2 347.890 3.825 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000513437972 1019670477 /nfs/dbraw/zinc/67/04/77/1019670477.db2.gz HOGQYQQVTGCIBL-OAQYLSRUSA-N 1 2 339.435 3.834 20 30 EHEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000513437972 1019670495 /nfs/dbraw/zinc/67/04/95/1019670495.db2.gz HOGQYQQVTGCIBL-OAQYLSRUSA-N 1 2 339.435 3.834 20 30 EHEDLO N#CCC[C@@H](C#N)CNC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000564843332 1019902921 /nfs/dbraw/zinc/90/29/21/1019902921.db2.gz CANKBLBZLLHIFS-YJBOKZPZSA-N 1 2 330.863 3.510 20 30 EHEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000602450182 1032879604 /nfs/dbraw/zinc/87/96/04/1032879604.db2.gz IXCIXELUMFAYQR-CZUORRHYSA-N 1 2 337.261 3.762 20 30 EHEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000602450182 1032879611 /nfs/dbraw/zinc/87/96/11/1032879611.db2.gz IXCIXELUMFAYQR-CZUORRHYSA-N 1 2 337.261 3.762 20 30 EHEDLO CSc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000280457041 1020399613 /nfs/dbraw/zinc/39/96/13/1020399613.db2.gz OCWPVROEHMFYFZ-AWEZNQCLSA-N 1 2 339.464 3.739 20 30 EHEDLO CSc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000280457041 1020399626 /nfs/dbraw/zinc/39/96/26/1020399626.db2.gz OCWPVROEHMFYFZ-AWEZNQCLSA-N 1 2 339.464 3.739 20 30 EHEDLO CCOc1ccc(N(CCC#N)C(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC000581259383 1020599241 /nfs/dbraw/zinc/59/92/41/1020599241.db2.gz HZPXIUGVBKXTLP-UHFFFAOYSA-N 1 2 348.406 3.602 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1C#N ZINC000135214192 1020905476 /nfs/dbraw/zinc/90/54/76/1020905476.db2.gz WTWVNFHKZCDETH-UHFFFAOYSA-N 1 2 332.407 3.589 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1C#N ZINC000135214192 1020905480 /nfs/dbraw/zinc/90/54/80/1020905480.db2.gz WTWVNFHKZCDETH-UHFFFAOYSA-N 1 2 332.407 3.589 20 30 EHEDLO C#CCC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCCC1 ZINC000276270535 1020983510 /nfs/dbraw/zinc/98/35/10/1020983510.db2.gz JXSDGXUNVOHQOG-UHFFFAOYSA-N 1 2 339.483 3.662 20 30 EHEDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439432436 1021434705 /nfs/dbraw/zinc/43/47/05/1021434705.db2.gz UDORCSPLCHSDQW-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439432436 1021434716 /nfs/dbraw/zinc/43/47/16/1021434716.db2.gz UDORCSPLCHSDQW-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000729475478 1021477345 /nfs/dbraw/zinc/47/73/45/1021477345.db2.gz VQHZCBKAFYCDDQ-SUMWQHHRSA-N 1 2 341.480 3.983 20 30 EHEDLO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000729475478 1021477358 /nfs/dbraw/zinc/47/73/58/1021477358.db2.gz VQHZCBKAFYCDDQ-SUMWQHHRSA-N 1 2 341.480 3.983 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437581685 1021974030 /nfs/dbraw/zinc/97/40/30/1021974030.db2.gz MEIVUFBBZSQOOT-SCLBCKFNSA-N 1 2 339.826 3.986 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437581685 1021974041 /nfs/dbraw/zinc/97/40/41/1021974041.db2.gz MEIVUFBBZSQOOT-SCLBCKFNSA-N 1 2 339.826 3.986 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C1CCCC1 ZINC000894413635 1022217306 /nfs/dbraw/zinc/21/73/06/1022217306.db2.gz OMGXZKLAZNWBRU-UHFFFAOYSA-N 1 2 343.471 3.741 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1C1CCCC1 ZINC000894413635 1022217322 /nfs/dbraw/zinc/21/73/22/1022217322.db2.gz OMGXZKLAZNWBRU-UHFFFAOYSA-N 1 2 343.471 3.741 20 30 EHEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000328623535 1022451105 /nfs/dbraw/zinc/45/11/05/1022451105.db2.gz YYMFRIRPUXSULJ-DZGCQCFKSA-N 1 2 344.484 3.745 20 30 EHEDLO CC(C)(C)C1=CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000328810949 1022492691 /nfs/dbraw/zinc/49/26/91/1022492691.db2.gz DZPVGYSNXRTQIP-UHFFFAOYSA-N 1 2 338.455 3.965 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441440056 1022802388 /nfs/dbraw/zinc/80/23/88/1022802388.db2.gz VFVVHHMLTIHRNG-DYESRHJHSA-N 1 2 344.499 3.720 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441440056 1022802411 /nfs/dbraw/zinc/80/24/11/1022802411.db2.gz VFVVHHMLTIHRNG-DYESRHJHSA-N 1 2 344.499 3.720 20 30 EHEDLO C[C@@H](c1ccccc1Br)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991927 1023972058 /nfs/dbraw/zinc/97/20/58/1023972058.db2.gz WTPFZZKBNSEWEP-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@@H](c1ccccc1Br)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991927 1023972071 /nfs/dbraw/zinc/97/20/71/1023972071.db2.gz WTPFZZKBNSEWEP-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(CC)c1)Cc1cccc(C#N)c1 ZINC000063300931 1033182457 /nfs/dbraw/zinc/18/24/57/1033182457.db2.gz HWDRZSLGSHMKMU-UHFFFAOYSA-N 1 2 333.435 3.747 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cccc(CC)c1)Cc1cccc(C#N)c1 ZINC000063300931 1033182465 /nfs/dbraw/zinc/18/24/65/1033182465.db2.gz HWDRZSLGSHMKMU-UHFFFAOYSA-N 1 2 333.435 3.747 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000514082768 1024116131 /nfs/dbraw/zinc/11/61/31/1024116131.db2.gz IMQIKDDEJYUYHU-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000514082768 1024116137 /nfs/dbraw/zinc/11/61/37/1024116137.db2.gz IMQIKDDEJYUYHU-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329849077 1024220572 /nfs/dbraw/zinc/22/05/72/1024220572.db2.gz PVBOZNNWOIFURV-UNRBTCAZSA-N 1 2 338.883 3.707 20 30 EHEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329849077 1024220590 /nfs/dbraw/zinc/22/05/90/1024220590.db2.gz PVBOZNNWOIFURV-UNRBTCAZSA-N 1 2 338.883 3.707 20 30 EHEDLO Cc1cccc([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)c1C ZINC000330193474 1024350945 /nfs/dbraw/zinc/35/09/45/1024350945.db2.gz OFMXAUKPRQOITO-WMZOPIPTSA-N 1 2 338.455 3.566 20 30 EHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000472038361 1024435417 /nfs/dbraw/zinc/43/54/17/1024435417.db2.gz NSTPTVFMTUNJLP-UHFFFAOYSA-N 1 2 334.423 3.622 20 30 EHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000665392163 1024540600 /nfs/dbraw/zinc/54/06/00/1024540600.db2.gz UBLGNULMDLIEMD-ZJPYXAASSA-N 1 2 330.476 3.611 20 30 EHEDLO N#Cc1cccc(F)c1Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000346371284 1024687365 /nfs/dbraw/zinc/68/73/65/1024687365.db2.gz OZYOSJXXQIFRCK-UHFFFAOYSA-N 1 2 345.337 3.524 20 30 EHEDLO COc1cc(C[N@H+](C)Cc2csc(C#N)c2)c(SC)cc1OC ZINC000892104506 1024716784 /nfs/dbraw/zinc/71/67/84/1024716784.db2.gz SEXSGVVOLKMUSW-UHFFFAOYSA-N 1 2 348.493 3.991 20 30 EHEDLO COc1cc(C[N@@H+](C)Cc2csc(C#N)c2)c(SC)cc1OC ZINC000892104506 1024716791 /nfs/dbraw/zinc/71/67/91/1024716791.db2.gz SEXSGVVOLKMUSW-UHFFFAOYSA-N 1 2 348.493 3.991 20 30 EHEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)ccc1F ZINC000323067034 1024803491 /nfs/dbraw/zinc/80/34/91/1024803491.db2.gz MOSORKJIDFHJNL-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@H](C#N)CCC#N)c1 ZINC000514932471 1024909922 /nfs/dbraw/zinc/90/99/22/1024909922.db2.gz HLGABSDNKOEZQG-INIZCTEOSA-N 1 2 339.468 3.631 20 30 EHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@H](C#N)CCC#N)c1 ZINC000514932471 1024909929 /nfs/dbraw/zinc/90/99/29/1024909929.db2.gz HLGABSDNKOEZQG-INIZCTEOSA-N 1 2 339.468 3.631 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000346699869 1025023556 /nfs/dbraw/zinc/02/35/56/1025023556.db2.gz FCXNWDTUMYHBSS-GOSISDBHSA-N 1 2 326.465 3.756 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000346699869 1025023569 /nfs/dbraw/zinc/02/35/69/1025023569.db2.gz FCXNWDTUMYHBSS-GOSISDBHSA-N 1 2 326.465 3.756 20 30 EHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)s3)n2)c1 ZINC000237350891 1025053043 /nfs/dbraw/zinc/05/30/43/1025053043.db2.gz JULRFRJXUDBWMV-LLVKDONJSA-N 1 2 340.408 3.529 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1CC)Cc1ccc(OC)cc1 ZINC000054271961 1025204225 /nfs/dbraw/zinc/20/42/25/1025204225.db2.gz FIWQKAPQRBJVRB-UHFFFAOYSA-N 1 2 338.451 3.884 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1CC)Cc1ccc(OC)cc1 ZINC000054271961 1025204236 /nfs/dbraw/zinc/20/42/36/1025204236.db2.gz FIWQKAPQRBJVRB-UHFFFAOYSA-N 1 2 338.451 3.884 20 30 EHEDLO C=CCCCN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442227206 1025210986 /nfs/dbraw/zinc/21/09/86/1025210986.db2.gz DMEAPCUZAWXSLJ-LJQANCHMSA-N 1 2 340.471 3.849 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1C#N ZINC000346878398 1025275052 /nfs/dbraw/zinc/27/50/52/1025275052.db2.gz YGYHUJGOBVUHNU-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1C#N ZINC000346878398 1025275077 /nfs/dbraw/zinc/27/50/77/1025275077.db2.gz YGYHUJGOBVUHNU-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO FC1(F)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000896392535 1025400528 /nfs/dbraw/zinc/40/05/28/1025400528.db2.gz GEHCPTXXLNLLSP-YUMQZZPRSA-N 1 2 346.221 3.689 20 30 EHEDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC000046518964 1033285790 /nfs/dbraw/zinc/28/57/90/1033285790.db2.gz LTXAYCRBWPOBTI-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC000046518964 1033285804 /nfs/dbraw/zinc/28/58/04/1033285804.db2.gz LTXAYCRBWPOBTI-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)c(OC)c1 ZINC000442834506 1025525106 /nfs/dbraw/zinc/52/51/06/1025525106.db2.gz DMPBAVHZBACJMZ-AWEZNQCLSA-N 1 2 332.444 3.509 20 30 EHEDLO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)c(OC)c1 ZINC000442834506 1025525118 /nfs/dbraw/zinc/52/51/18/1025525118.db2.gz DMPBAVHZBACJMZ-AWEZNQCLSA-N 1 2 332.444 3.509 20 30 EHEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)nc1 ZINC000934341745 1025540554 /nfs/dbraw/zinc/54/05/54/1025540554.db2.gz PYHQQIDOMCNQOX-SFHVURJKSA-N 1 2 327.815 3.952 20 30 EHEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)nc1 ZINC000934341745 1025540567 /nfs/dbraw/zinc/54/05/67/1025540567.db2.gz PYHQQIDOMCNQOX-SFHVURJKSA-N 1 2 327.815 3.952 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000602992791 1033289658 /nfs/dbraw/zinc/28/96/58/1033289658.db2.gz GENYNELJKILQEK-CQSZACIVSA-N 1 2 349.475 3.843 20 30 EHEDLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329483961 1025910743 /nfs/dbraw/zinc/91/07/43/1025910743.db2.gz FLPPQYFAVJOTFB-INIZCTEOSA-N 1 2 327.432 3.619 20 30 EHEDLO COc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCc1cccc(C#N)c1 ZINC000342507183 1025952883 /nfs/dbraw/zinc/95/28/83/1025952883.db2.gz YRVYUVXUTNAYTI-MRXNPFEDSA-N 1 2 349.434 3.737 20 30 EHEDLO COc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCc1cccc(C#N)c1 ZINC000342507183 1025952892 /nfs/dbraw/zinc/95/28/92/1025952892.db2.gz YRVYUVXUTNAYTI-MRXNPFEDSA-N 1 2 349.434 3.737 20 30 EHEDLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000287864235 1026068721 /nfs/dbraw/zinc/06/87/21/1026068721.db2.gz RVGAURAIZQSNTG-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000287864235 1026068736 /nfs/dbraw/zinc/06/87/36/1026068736.db2.gz RVGAURAIZQSNTG-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000304341720 1026187322 /nfs/dbraw/zinc/18/73/22/1026187322.db2.gz YXLACNVFICQVIL-MNEFBYGVSA-N 1 2 342.389 3.770 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000304341720 1026187328 /nfs/dbraw/zinc/18/73/28/1026187328.db2.gz YXLACNVFICQVIL-MNEFBYGVSA-N 1 2 342.389 3.770 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccoc2)c1 ZINC000342639832 1026546099 /nfs/dbraw/zinc/54/60/99/1026546099.db2.gz OXZQTJRCYJVULQ-KRWDZBQOSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccoc2)c1 ZINC000342639832 1026546106 /nfs/dbraw/zinc/54/61/06/1026546106.db2.gz OXZQTJRCYJVULQ-KRWDZBQOSA-N 1 2 339.439 3.664 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](Cc2ccccn2)C(C)C)c1C ZINC000531493762 1026970151 /nfs/dbraw/zinc/97/01/51/1026970151.db2.gz ZJKAZJAJPKCOAR-UHFFFAOYSA-N 1 2 325.456 3.779 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](Cc2ccccn2)C(C)C)c1C ZINC000531493762 1026970157 /nfs/dbraw/zinc/97/01/57/1026970157.db2.gz ZJKAZJAJPKCOAR-UHFFFAOYSA-N 1 2 325.456 3.779 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000428362861 1027685145 /nfs/dbraw/zinc/68/51/45/1027685145.db2.gz JYLDJRTYKBYLMI-UHFFFAOYSA-N 1 2 332.382 3.863 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000428362861 1027685160 /nfs/dbraw/zinc/68/51/60/1027685160.db2.gz JYLDJRTYKBYLMI-UHFFFAOYSA-N 1 2 332.382 3.863 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533427389 1027856596 /nfs/dbraw/zinc/85/65/96/1027856596.db2.gz MWAOSPRQQLUJJF-OKILXGFUSA-N 1 2 336.526 3.729 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533427389 1027856619 /nfs/dbraw/zinc/85/66/19/1027856619.db2.gz MWAOSPRQQLUJJF-OKILXGFUSA-N 1 2 336.526 3.729 20 30 EHEDLO CCc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502528580 1027870336 /nfs/dbraw/zinc/87/03/36/1027870336.db2.gz KSPJNWSISQTYQK-UHFFFAOYSA-N 1 2 345.446 3.848 20 30 EHEDLO CCc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502528580 1027870362 /nfs/dbraw/zinc/87/03/62/1027870362.db2.gz KSPJNWSISQTYQK-UHFFFAOYSA-N 1 2 345.446 3.848 20 30 EHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455527672 1028301966 /nfs/dbraw/zinc/30/19/66/1028301966.db2.gz QLUNUIDIGFYGIM-UHFFFAOYSA-N 1 2 343.427 3.702 20 30 EHEDLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502544498 1028330421 /nfs/dbraw/zinc/33/04/21/1028330421.db2.gz PIMOZQOJYOHDJV-FQEVSTJZSA-N 1 2 332.403 3.562 20 30 EHEDLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502544498 1028330433 /nfs/dbraw/zinc/33/04/33/1028330433.db2.gz PIMOZQOJYOHDJV-FQEVSTJZSA-N 1 2 332.403 3.562 20 30 EHEDLO Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c[nH+]1 ZINC000455564918 1028482006 /nfs/dbraw/zinc/48/20/06/1028482006.db2.gz VXXQNEYUIKNYPD-VQTJNVASSA-N 1 2 348.450 3.680 20 30 EHEDLO C#CCCOc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1 ZINC000162240479 1028511732 /nfs/dbraw/zinc/51/17/32/1028511732.db2.gz FMIKKHCMXFAOIL-UHFFFAOYSA-N 1 2 335.407 3.778 20 30 EHEDLO Cc1[nH]c2ccc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)cc2[nH+]1 ZINC000454424207 1028908117 /nfs/dbraw/zinc/90/81/17/1028908117.db2.gz HGZTVAPAASLWIT-UHFFFAOYSA-N 1 2 332.407 3.950 20 30 EHEDLO C=CCn1cc(C[NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)nn1 ZINC000424299109 1028942415 /nfs/dbraw/zinc/94/24/15/1028942415.db2.gz UWGYTSRNBVQJTO-GOSISDBHSA-N 1 2 326.444 3.591 20 30 EHEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3c(C(C)C)cccc32)nn1 ZINC000424299111 1028942449 /nfs/dbraw/zinc/94/24/49/1028942449.db2.gz UWGYTSRNBVQJTO-SFHVURJKSA-N 1 2 326.444 3.591 20 30 EHEDLO CC[C@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1ccc(C#N)cc1 ZINC000424324563 1028970651 /nfs/dbraw/zinc/97/06/51/1028970651.db2.gz KEGWUIXMWAMYEX-FZMZJTMJSA-N 1 2 329.425 3.603 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000245790428 1029302604 /nfs/dbraw/zinc/30/26/04/1029302604.db2.gz WBOYOEWLJQTNCZ-RDTXWAMCSA-N 1 2 328.437 3.612 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000245790428 1029302620 /nfs/dbraw/zinc/30/26/20/1029302620.db2.gz WBOYOEWLJQTNCZ-RDTXWAMCSA-N 1 2 328.437 3.612 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424758947 1029314301 /nfs/dbraw/zinc/31/43/01/1029314301.db2.gz CBWWJKJEYHZCGU-HOTGVXAUSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424758947 1029314312 /nfs/dbraw/zinc/31/43/12/1029314312.db2.gz CBWWJKJEYHZCGU-HOTGVXAUSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000533280839 1029590821 /nfs/dbraw/zinc/59/08/21/1029590821.db2.gz XPCYWETYNIUAGE-UHFFFAOYSA-N 1 2 336.435 3.856 20 30 EHEDLO COc1ccc(-c2ccc(C[N@H+](CCC#N)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000536645346 1029599718 /nfs/dbraw/zinc/59/97/18/1029599718.db2.gz OZPIYVOBOOQNPL-UHFFFAOYSA-N 1 2 343.383 3.987 20 30 EHEDLO COc1ccc(-c2ccc(C[N@@H+](CCC#N)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000536645346 1029599736 /nfs/dbraw/zinc/59/97/36/1029599736.db2.gz OZPIYVOBOOQNPL-UHFFFAOYSA-N 1 2 343.383 3.987 20 30 EHEDLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000130325065 1029850792 /nfs/dbraw/zinc/85/07/92/1029850792.db2.gz BVSDNYPOTIRCIW-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000130325065 1029850797 /nfs/dbraw/zinc/85/07/97/1029850797.db2.gz BVSDNYPOTIRCIW-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO C=CCCC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC1 ZINC000481924241 1030124572 /nfs/dbraw/zinc/12/45/72/1030124572.db2.gz QOHZUYSBOVYIQA-UHFFFAOYSA-N 1 2 339.439 3.567 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@H+](C[C@H](C)C#N)C3CC3)o2)cc1 ZINC000481989943 1030152369 /nfs/dbraw/zinc/15/23/69/1030152369.db2.gz JXFWLPUXFIUEDX-CQSZACIVSA-N 1 2 338.407 3.857 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@@H+](C[C@H](C)C#N)C3CC3)o2)cc1 ZINC000481989943 1030152374 /nfs/dbraw/zinc/15/23/74/1030152374.db2.gz JXFWLPUXFIUEDX-CQSZACIVSA-N 1 2 338.407 3.857 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000121102890 1030182945 /nfs/dbraw/zinc/18/29/45/1030182945.db2.gz WRCAJNHSCBONCE-PMACEKPBSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000121102890 1030182955 /nfs/dbraw/zinc/18/29/55/1030182955.db2.gz WRCAJNHSCBONCE-PMACEKPBSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1ccc(OC)c(C[N@H+](CC#Cc2ccc(F)cc2)C2CC2)c1 ZINC000448195203 1030799846 /nfs/dbraw/zinc/79/98/46/1030799846.db2.gz AOHPJISSWPREEN-UHFFFAOYSA-N 1 2 339.410 3.859 20 30 EHEDLO COc1ccc(OC)c(C[N@@H+](CC#Cc2ccc(F)cc2)C2CC2)c1 ZINC000448195203 1030799851 /nfs/dbraw/zinc/79/98/51/1030799851.db2.gz AOHPJISSWPREEN-UHFFFAOYSA-N 1 2 339.410 3.859 20 30 EHEDLO OC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1c(Cl)cccc1Cl ZINC000483244917 1031055124 /nfs/dbraw/zinc/05/51/24/1031055124.db2.gz XSAWYJBZKMUNPU-INIZCTEOSA-N 1 2 338.209 3.807 20 30 EHEDLO CC(C)(C#N)c1ccccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000131587658 1031092909 /nfs/dbraw/zinc/09/29/09/1031092909.db2.gz JEFOFIMEAPUPGG-UHFFFAOYSA-N 1 2 349.478 3.932 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2ccccc2C#N)cc1OC(F)F ZINC000046775886 1033757234 /nfs/dbraw/zinc/75/72/34/1033757234.db2.gz OGBANXGFDWRTMH-UHFFFAOYSA-N 1 2 332.350 3.800 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2ccccc2C#N)cc1OC(F)F ZINC000046775886 1033757247 /nfs/dbraw/zinc/75/72/47/1033757247.db2.gz OGBANXGFDWRTMH-UHFFFAOYSA-N 1 2 332.350 3.800 20 30 EHEDLO C#CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000179252052 1033767751 /nfs/dbraw/zinc/76/77/51/1033767751.db2.gz LYKIBMHNMKIYOT-UHFFFAOYSA-N 1 2 346.887 3.632 20 30 EHEDLO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000595844373 1034003781 /nfs/dbraw/zinc/00/37/81/1034003781.db2.gz SEGFTVMOYQGBQZ-GOSISDBHSA-N 1 2 326.831 3.841 20 30 EHEDLO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000595844373 1034003799 /nfs/dbraw/zinc/00/37/99/1034003799.db2.gz SEGFTVMOYQGBQZ-GOSISDBHSA-N 1 2 326.831 3.841 20 30 EHEDLO N#CC1(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC2(CC2)C1 ZINC000601540636 1034582131 /nfs/dbraw/zinc/58/21/31/1034582131.db2.gz VRJUVAOLTDWCNL-UHFFFAOYSA-N 1 2 346.434 3.909 20 30 EHEDLO C[C@H](C#N)C[N@H+](C)CCOc1ccc(Cl)cc1Br ZINC000066469978 1035482407 /nfs/dbraw/zinc/48/24/07/1035482407.db2.gz OJBOMSWKLFTXJS-SNVBAGLBSA-N 1 2 331.641 3.573 20 30 EHEDLO C[C@H](C#N)C[N@@H+](C)CCOc1ccc(Cl)cc1Br ZINC000066469978 1035482409 /nfs/dbraw/zinc/48/24/09/1035482409.db2.gz OJBOMSWKLFTXJS-SNVBAGLBSA-N 1 2 331.641 3.573 20 30 EHEDLO C=CC[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000186613552 1035673428 /nfs/dbraw/zinc/67/34/28/1035673428.db2.gz HXTVERYUMFXYDV-PKOBYXMFSA-N 1 2 337.467 3.561 20 30 EHEDLO CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000590026391 1036711032 /nfs/dbraw/zinc/71/10/32/1036711032.db2.gz NDLJHTKZRADHMA-OAHLLOKOSA-N 1 2 328.460 3.515 20 30 EHEDLO CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000590026391 1036711058 /nfs/dbraw/zinc/71/10/58/1036711058.db2.gz NDLJHTKZRADHMA-OAHLLOKOSA-N 1 2 328.460 3.515 20 30 EHEDLO C#CCOc1ccccc1-c1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923881931 1037327803 /nfs/dbraw/zinc/32/78/03/1037327803.db2.gz CQXZPBGYDCJBQF-INIZCTEOSA-N 1 2 336.395 3.581 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[NH+](CCC)CCC)c1=S ZINC000151760822 1037627784 /nfs/dbraw/zinc/62/77/84/1037627784.db2.gz VGHVQPILXHPSHQ-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000591853673 1037682886 /nfs/dbraw/zinc/68/28/86/1037682886.db2.gz WFAUHBIRQIDLAM-CYBMUJFWSA-N 1 2 337.452 3.608 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000591853673 1037682891 /nfs/dbraw/zinc/68/28/91/1037682891.db2.gz WFAUHBIRQIDLAM-CYBMUJFWSA-N 1 2 337.452 3.608 20 30 EHEDLO C=CC[N@@H+](Cc1cnc2c(C)cccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512375626 1038909846 /nfs/dbraw/zinc/90/98/46/1038909846.db2.gz VTCXLSIIOGPEAQ-UHFFFAOYSA-N 1 2 336.395 3.739 20 30 EHEDLO C=CC[N@H+](Cc1cnc2c(C)cccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512375626 1038909858 /nfs/dbraw/zinc/90/98/58/1038909858.db2.gz VTCXLSIIOGPEAQ-UHFFFAOYSA-N 1 2 336.395 3.739 20 30 EHEDLO C=CCN(Cc1c[nH+]c2c(C)cccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512375626 1038909872 /nfs/dbraw/zinc/90/98/72/1038909872.db2.gz VTCXLSIIOGPEAQ-UHFFFAOYSA-N 1 2 336.395 3.739 20 30 EHEDLO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(C#N)cc1 ZINC000042099862 1039612245 /nfs/dbraw/zinc/61/22/45/1039612245.db2.gz MUBWIQXXWIIQGY-CQSZACIVSA-N 1 2 340.390 3.860 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC000906697532 1039702884 /nfs/dbraw/zinc/70/28/84/1039702884.db2.gz NLKIIJXWGAOQKR-KRWDZBQOSA-N 1 2 337.423 3.618 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)c1 ZINC000906697533 1039703260 /nfs/dbraw/zinc/70/32/60/1039703260.db2.gz NLKIIJXWGAOQKR-QGZVFWFLSA-N 1 2 337.423 3.618 20 30 EHEDLO CC(C)=CC[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)cc1 ZINC000553895526 1040561816 /nfs/dbraw/zinc/56/18/16/1040561816.db2.gz UZBWESXZOKSTBK-UHFFFAOYSA-N 1 2 345.874 3.671 20 30 EHEDLO CC(C)=CC[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)cc1 ZINC000553895526 1040561828 /nfs/dbraw/zinc/56/18/28/1040561828.db2.gz UZBWESXZOKSTBK-UHFFFAOYSA-N 1 2 345.874 3.671 20 30 EHEDLO C=CC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000660356370 1040706915 /nfs/dbraw/zinc/70/69/15/1040706915.db2.gz FSSMISOVXKLXPS-QGZVFWFLSA-N 1 2 342.487 3.570 20 30 EHEDLO C=C(C)[C@H]([NH2+]Cc1ccc(C(=O)OCC)cn1)c1ccc(F)c(F)c1 ZINC000411553047 1040989327 /nfs/dbraw/zinc/98/93/27/1040989327.db2.gz HVJVLZYORCZLEA-SFHVURJKSA-N 1 2 346.377 3.944 20 30 EHEDLO Fc1cc(F)c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1F ZINC000651901585 1042165370 /nfs/dbraw/zinc/16/53/70/1042165370.db2.gz STJKJHNUBHIYPS-UHFFFAOYSA-N 1 2 327.243 3.970 20 30 EHEDLO Cc1csc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1C#N ZINC000344934751 1044699226 /nfs/dbraw/zinc/69/92/26/1044699226.db2.gz YOFYUUGBZJNJBG-UHFFFAOYSA-N 1 2 346.362 3.503 20 30 EHEDLO C#CCOc1ccc([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000764809084 1127537537 /nfs/dbraw/zinc/53/75/37/1127537537.db2.gz GWVHVFCEVJQFAQ-UTKZUKDTSA-N 1 2 345.446 3.872 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000764928692 1127553521 /nfs/dbraw/zinc/55/35/21/1127553521.db2.gz FFHLGYXEHJIEMF-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000764928692 1127553524 /nfs/dbraw/zinc/55/35/24/1127553524.db2.gz FFHLGYXEHJIEMF-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccc(C#N)cc1 ZINC000106859790 1128514729 /nfs/dbraw/zinc/51/47/29/1128514729.db2.gz AMYDAAIKIWAWSV-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccc(C#N)cc1 ZINC000106859790 1128514731 /nfs/dbraw/zinc/51/47/31/1128514731.db2.gz AMYDAAIKIWAWSV-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CC#N)CC1 ZINC000542879865 1128722752 /nfs/dbraw/zinc/72/27/52/1128722752.db2.gz RJLCHCQQAZRZST-LLVKDONJSA-N 1 2 340.254 3.946 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOC3CCCCCC3)CCO2)c1 ZINC000761758771 1120891901 /nfs/dbraw/zinc/89/19/01/1120891901.db2.gz ASCDUNNLVSOHLF-FQEVSTJZSA-N 1 2 328.456 3.671 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOC3CCCCCC3)CCO2)c1 ZINC000761758771 1120891904 /nfs/dbraw/zinc/89/19/04/1120891904.db2.gz ASCDUNNLVSOHLF-FQEVSTJZSA-N 1 2 328.456 3.671 20 30 EHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)C3(C#N)CCCC3)CC2)cc1 ZINC000032080555 1120899676 /nfs/dbraw/zinc/89/96/76/1120899676.db2.gz XTVITFWCGSZNGZ-UHFFFAOYSA-N 1 2 339.483 3.538 20 30 EHEDLO C#CC[NH+](Cc1ccc(OC)c(F)c1)Cc1ccc(OC)c(F)c1 ZINC000914866286 1121022038 /nfs/dbraw/zinc/02/20/38/1121022038.db2.gz JOTGWCLDCUCVPV-UHFFFAOYSA-N 1 2 331.362 3.617 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cc(Br)ncc1F ZINC000762419841 1121291874 /nfs/dbraw/zinc/29/18/74/1121291874.db2.gz CVHVWPSJADTFQR-PLNGDYQASA-N 1 2 346.159 3.527 20 30 EHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1NCCCn1cc[nH+]c1 ZINC000193521537 1121377998 /nfs/dbraw/zinc/37/79/98/1121377998.db2.gz XTPCMMMUYINJIY-UHFFFAOYSA-N 1 2 329.766 3.598 20 30 EHEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1CC)[C@H]1CCc2ccccc21 ZINC000917117471 1122511401 /nfs/dbraw/zinc/51/14/01/1122511401.db2.gz NPGIZCXWOAOEQH-NRFANRHFSA-N 1 2 332.447 3.810 20 30 EHEDLO C#CC[N@H+](CC(=O)Nc1ccccc1CC)[C@H]1CCc2ccccc21 ZINC000917117471 1122511406 /nfs/dbraw/zinc/51/14/06/1122511406.db2.gz NPGIZCXWOAOEQH-NRFANRHFSA-N 1 2 332.447 3.810 20 30 EHEDLO NC(=[NH+]OCc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 ZINC000918186024 1122773459 /nfs/dbraw/zinc/77/34/59/1122773459.db2.gz OLSRMMMMWFXFOB-UHFFFAOYSA-N 1 2 342.292 3.604 20 30 EHEDLO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(C#N)cc1F ZINC000556607590 1123056263 /nfs/dbraw/zinc/05/62/63/1123056263.db2.gz GCJNJYPZWVPLMS-HNNXBMFYSA-N 1 2 334.398 3.793 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1cccs1 ZINC000499049361 1123165986 /nfs/dbraw/zinc/16/59/86/1123165986.db2.gz XZGBZLJENMFIJI-UHFFFAOYSA-N 1 2 334.872 3.706 20 30 EHEDLO C=CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)Cc1cccs1 ZINC000499049361 1123165988 /nfs/dbraw/zinc/16/59/88/1123165988.db2.gz XZGBZLJENMFIJI-UHFFFAOYSA-N 1 2 334.872 3.706 20 30 EHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)CC2CC2)c1=S ZINC000919942677 1123240007 /nfs/dbraw/zinc/24/00/07/1123240007.db2.gz WHJXOCVMWVUGRX-UHFFFAOYSA-N 1 2 332.448 3.705 20 30 EHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000919942677 1123240011 /nfs/dbraw/zinc/24/00/11/1123240011.db2.gz WHJXOCVMWVUGRX-UHFFFAOYSA-N 1 2 332.448 3.705 20 30 EHEDLO CC[N@H+](Cc1nnc(-c2ccccc2)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000195514789 1123518106 /nfs/dbraw/zinc/51/81/06/1123518106.db2.gz GALCOXQMRMUZML-MRXNPFEDSA-N 1 2 345.450 3.937 20 30 EHEDLO CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000195514789 1123518109 /nfs/dbraw/zinc/51/81/09/1123518109.db2.gz GALCOXQMRMUZML-MRXNPFEDSA-N 1 2 345.450 3.937 20 30 EHEDLO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000181732201 1125024170 /nfs/dbraw/zinc/02/41/70/1125024170.db2.gz ROTSGGLLYRTFNF-NSHDSACASA-N 1 2 331.778 3.640 20 30 EHEDLO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000735311206 1131333722 /nfs/dbraw/zinc/33/37/22/1131333722.db2.gz BSVBXXCGUDHBLN-GOEBONIOSA-N 1 2 341.480 3.983 20 30 EHEDLO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000735311205 1131334419 /nfs/dbraw/zinc/33/44/19/1131334419.db2.gz BSVBXXCGUDHBLN-GDBMZVCRSA-N 1 2 341.480 3.983 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619073609 1125272282 /nfs/dbraw/zinc/27/22/82/1125272282.db2.gz LWMFEDVEXQFZQU-QGZVFWFLSA-N 1 2 344.462 3.918 20 30 EHEDLO COCC[N@H+](CCC#N)C/C(C)=C\c1ccccc1C(F)(F)F ZINC000619725063 1125390075 /nfs/dbraw/zinc/39/00/75/1125390075.db2.gz GZHNFGNDWYENCX-OWBHPGMISA-N 1 2 326.362 3.971 20 30 EHEDLO COCC[N@@H+](CCC#N)C/C(C)=C\c1ccccc1C(F)(F)F ZINC000619725063 1125390078 /nfs/dbraw/zinc/39/00/78/1125390078.db2.gz GZHNFGNDWYENCX-OWBHPGMISA-N 1 2 326.362 3.971 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1Cl ZINC000619748783 1125400969 /nfs/dbraw/zinc/40/09/69/1125400969.db2.gz URBFKSGTLAGDMK-UHFFFAOYSA-N 1 2 342.649 3.720 20 30 EHEDLO N#Cc1cccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c1 ZINC000082743966 1129513870 /nfs/dbraw/zinc/51/38/70/1129513870.db2.gz MAWHMBFOYMMRBT-UHFFFAOYSA-N 1 2 327.185 3.809 20 30 EHEDLO N#Cc1cccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c1 ZINC000082743966 1129513873 /nfs/dbraw/zinc/51/38/73/1129513873.db2.gz MAWHMBFOYMMRBT-UHFFFAOYSA-N 1 2 327.185 3.809 20 30 EHEDLO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000091857682 1129525779 /nfs/dbraw/zinc/52/57/79/1129525779.db2.gz UDDCZSRNUNZISK-UHFFFAOYSA-N 1 2 346.434 3.553 20 30 EHEDLO CCCOc1ccc2c(c1)CC[N@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000091857682 1129525780 /nfs/dbraw/zinc/52/57/80/1129525780.db2.gz UDDCZSRNUNZISK-UHFFFAOYSA-N 1 2 346.434 3.553 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccsc2C1 ZINC000132595745 1129537363 /nfs/dbraw/zinc/53/73/63/1129537363.db2.gz WYXLEKHZJXVLBQ-NSHDSACASA-N 1 2 345.855 3.658 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccsc2C1 ZINC000132595745 1129537365 /nfs/dbraw/zinc/53/73/65/1129537365.db2.gz WYXLEKHZJXVLBQ-NSHDSACASA-N 1 2 345.855 3.658 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922520716 1129560356 /nfs/dbraw/zinc/56/03/56/1129560356.db2.gz ONDMKXRFRQRJNB-ICSRJNTNSA-N 1 2 325.383 3.650 20 30 EHEDLO C=C(C)CC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000508964871 1129594163 /nfs/dbraw/zinc/59/41/63/1129594163.db2.gz QZKBZVRHZBNZBN-CQSZACIVSA-N 1 2 326.234 3.561 20 30 EHEDLO C=C(C)CC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000508964871 1129594166 /nfs/dbraw/zinc/59/41/66/1129594166.db2.gz QZKBZVRHZBNZBN-CQSZACIVSA-N 1 2 326.234 3.561 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c(C#N)c1C ZINC000097036207 1129755100 /nfs/dbraw/zinc/75/51/00/1129755100.db2.gz VXFOABAKIVMFNC-LLVKDONJSA-N 1 2 347.365 3.678 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c(C#N)c1C ZINC000097036207 1129755103 /nfs/dbraw/zinc/75/51/03/1129755103.db2.gz VXFOABAKIVMFNC-LLVKDONJSA-N 1 2 347.365 3.678 20 30 EHEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000429224312 1130040550 /nfs/dbraw/zinc/04/05/50/1130040550.db2.gz BAKZAFWOTYDRGV-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000429224312 1130040557 /nfs/dbraw/zinc/04/05/57/1130040557.db2.gz BAKZAFWOTYDRGV-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000174864957 1130389805 /nfs/dbraw/zinc/38/98/05/1130389805.db2.gz UXJBOYHHSCWWBB-QGZVFWFLSA-N 1 2 348.450 3.777 20 30 EHEDLO NC(=[NH+]OCCOc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000730569039 1130720798 /nfs/dbraw/zinc/72/07/98/1130720798.db2.gz HBIVSTVYJARAAL-UHFFFAOYSA-N 1 2 342.292 3.560 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000733324422 1131025496 /nfs/dbraw/zinc/02/54/96/1131025496.db2.gz XHDDPHLCVWZMEC-OAQYLSRUSA-N 1 2 345.446 3.701 20 30 EHEDLO C=CCCC[N@@H+](C)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000736589392 1131426986 /nfs/dbraw/zinc/42/69/86/1131426986.db2.gz FBTLUTWXXSFWLU-UHFFFAOYSA-N 1 2 333.457 3.660 20 30 EHEDLO C=CCCC[N@H+](C)Cn1nc(Cc2ccc(OC)cc2)oc1=S ZINC000736589392 1131426989 /nfs/dbraw/zinc/42/69/89/1131426989.db2.gz FBTLUTWXXSFWLU-UHFFFAOYSA-N 1 2 333.457 3.660 20 30 EHEDLO COc1ccc(OC)c(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000737443676 1131449848 /nfs/dbraw/zinc/44/98/48/1131449848.db2.gz KSHBGDKEGGQKGU-XQRVVYSFSA-N 1 2 342.782 3.901 20 30 EHEDLO O=[N+]([O-])c1ccc(Cl)cc1C=NNc1cc[nH+]c2ccccc12 ZINC000739411100 1131497765 /nfs/dbraw/zinc/49/77/65/1131497765.db2.gz GQVMKLSFHFFKSQ-UHFFFAOYSA-N 1 2 326.743 3.664 20 30 EHEDLO CCCCCCC[C@H](CCC)[NH2+][C@@H](Cc1cncn1C)C(=O)OC ZINC001172507875 1131763878 /nfs/dbraw/zinc/76/38/78/1131763878.db2.gz CHYXCEJRZBHOFI-WMZOPIPTSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCC[C@H](CCC)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172507875 1131763887 /nfs/dbraw/zinc/76/38/87/1131763887.db2.gz CHYXCEJRZBHOFI-WMZOPIPTSA-N 1 2 337.508 3.623 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743349391 1131907583 /nfs/dbraw/zinc/90/75/83/1131907583.db2.gz SQLBBBNEKALOSK-GOSISDBHSA-N 1 2 339.826 3.575 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743349391 1131907588 /nfs/dbraw/zinc/90/75/88/1131907588.db2.gz SQLBBBNEKALOSK-GOSISDBHSA-N 1 2 339.826 3.575 20 30 EHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000744152079 1132033208 /nfs/dbraw/zinc/03/32/08/1132033208.db2.gz WZXASXAHLMBEMG-UHFFFAOYSA-N 1 2 334.464 3.951 20 30 EHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)CC(C)C)c1=S ZINC000744152079 1132033215 /nfs/dbraw/zinc/03/32/15/1132033215.db2.gz WZXASXAHLMBEMG-UHFFFAOYSA-N 1 2 334.464 3.951 20 30 EHEDLO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000744428353 1132095403 /nfs/dbraw/zinc/09/54/03/1132095403.db2.gz IXBITMXTUBGSCJ-MGPQQGTHSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000744428353 1132095412 /nfs/dbraw/zinc/09/54/12/1132095412.db2.gz IXBITMXTUBGSCJ-MGPQQGTHSA-N 1 2 327.453 3.593 20 30 EHEDLO CC1(C#N)CCC(N2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001173597049 1132101256 /nfs/dbraw/zinc/10/12/56/1132101256.db2.gz KHUBSCMGWSYJBR-AQFXKWCLSA-N 1 2 325.447 3.654 20 30 EHEDLO CC1(C#N)CCC([N@@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173597049 1132101259 /nfs/dbraw/zinc/10/12/59/1132101259.db2.gz KHUBSCMGWSYJBR-AQFXKWCLSA-N 1 2 325.447 3.654 20 30 EHEDLO CC1(C#N)CCC([N@H+]2CC[C@@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173597049 1132101261 /nfs/dbraw/zinc/10/12/61/1132101261.db2.gz KHUBSCMGWSYJBR-AQFXKWCLSA-N 1 2 325.447 3.654 20 30 EHEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000745170684 1132212346 /nfs/dbraw/zinc/21/23/46/1132212346.db2.gz JKWUHEDOBLTPKR-ZIAGYGMSSA-N 1 2 327.453 3.595 20 30 EHEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000745170684 1132212350 /nfs/dbraw/zinc/21/23/50/1132212350.db2.gz JKWUHEDOBLTPKR-ZIAGYGMSSA-N 1 2 327.453 3.595 20 30 EHEDLO C[C@@H]1C[C@@H]([N@H+](CCC#N)Cc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001168842898 1132578550 /nfs/dbraw/zinc/57/85/50/1132578550.db2.gz BCMUWVMGLQGYKD-SJLPKXTDSA-N 1 2 343.471 3.800 20 30 EHEDLO C[C@@H]1C[C@@H]([N@@H+](CCC#N)Cc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001168842898 1132578554 /nfs/dbraw/zinc/57/85/54/1132578554.db2.gz BCMUWVMGLQGYKD-SJLPKXTDSA-N 1 2 343.471 3.800 20 30 EHEDLO N#CC1([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CCCCC1 ZINC001169273839 1132713084 /nfs/dbraw/zinc/71/30/84/1132713084.db2.gz YIAZEOGOQWYXSX-UHFFFAOYSA-N 1 2 326.440 3.971 20 30 EHEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cc2cnccc2o1 ZINC001175638474 1132719825 /nfs/dbraw/zinc/71/98/25/1132719825.db2.gz MZTKPSQHCLTRLC-GFCCVEGCSA-N 1 2 345.362 3.600 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001175905952 1132795119 /nfs/dbraw/zinc/79/51/19/1132795119.db2.gz FVLMBWUWTHWAIF-NRFANRHFSA-N 1 2 337.442 3.966 20 30 EHEDLO C=CCc1cc(C)c[nH+]c1N[C@@H](CC(=O)OCC)c1cccnc1 ZINC001169675470 1132825814 /nfs/dbraw/zinc/82/58/14/1132825814.db2.gz ZRXGKDGZPIRGBZ-KRWDZBQOSA-N 1 2 325.412 3.620 20 30 EHEDLO Cc1ccc(NC23CCC(C#N)(CC2)CC3)c(C[NH+]2CCOCC2)c1 ZINC001169751575 1132840529 /nfs/dbraw/zinc/84/05/29/1132840529.db2.gz AZVIYDOJSPKROI-UHFFFAOYSA-N 1 2 339.483 3.856 20 30 EHEDLO CCOC(=O)c1ccc2[nH+]ccc(Nc3ccc(F)c(C#N)c3)c2c1 ZINC001176614372 1132972486 /nfs/dbraw/zinc/97/24/86/1132972486.db2.gz DFOZXORFYWJKQF-UHFFFAOYSA-N 1 2 335.338 3.588 20 30 EHEDLO CC/C=C/CCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000768928163 1133204727 /nfs/dbraw/zinc/20/47/27/1133204727.db2.gz WSBUWGRAQHMZMV-ONEGZZNKSA-N 1 2 325.412 3.654 20 30 EHEDLO C=CC[N@@H+](CCCc1c(Cl)cccc1Cl)CC(=O)OCC ZINC001179863218 1133294973 /nfs/dbraw/zinc/29/49/73/1133294973.db2.gz MDVDQYIFOAXRNN-UHFFFAOYSA-N 1 2 330.255 3.977 20 30 EHEDLO C=CC[N@H+](CCCc1c(Cl)cccc1Cl)CC(=O)OCC ZINC001179863218 1133294976 /nfs/dbraw/zinc/29/49/76/1133294976.db2.gz MDVDQYIFOAXRNN-UHFFFAOYSA-N 1 2 330.255 3.977 20 30 EHEDLO CC1(C)Cc2cccc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)c2O1 ZINC000770389160 1133429022 /nfs/dbraw/zinc/42/90/22/1133429022.db2.gz CJDSSZKUAHABMZ-FQEVSTJZSA-N 1 2 348.446 3.845 20 30 EHEDLO CC1(C)Cc2cccc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)c2O1 ZINC000770389160 1133429026 /nfs/dbraw/zinc/42/90/26/1133429026.db2.gz CJDSSZKUAHABMZ-FQEVSTJZSA-N 1 2 348.446 3.845 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2F)nc1C)c1ccc(F)cc1 ZINC001182019683 1133568135 /nfs/dbraw/zinc/56/81/35/1133568135.db2.gz AYHLPHNQKRJQEF-IBGZPJMESA-N 1 2 337.373 3.923 20 30 EHEDLO CCCCN(CC#N)C(=O)[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182219817 1133598670 /nfs/dbraw/zinc/59/86/70/1133598670.db2.gz CABMOHYVSCGAMB-QGZVFWFLSA-N 1 2 335.879 3.875 20 30 EHEDLO Fc1cc2[nH]c([N-][NH+]=C3CCCNc4ccccc43)[nH+]c2cc1F ZINC000774372436 1133666303 /nfs/dbraw/zinc/66/63/03/1133666303.db2.gz RCLXIWBPFFOHLE-UHFFFAOYSA-N 1 2 327.338 3.863 20 30 EHEDLO Cc1cc(C[NH+]2CC(O)(c3cccc4ccccc43)C2)ccc1C#N ZINC001182625515 1133707805 /nfs/dbraw/zinc/70/78/05/1133707805.db2.gz RXAKNEQERBVFCC-UHFFFAOYSA-N 1 2 328.415 3.723 20 30 EHEDLO C[C@H]1CCCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183830091 1133862369 /nfs/dbraw/zinc/86/23/69/1133862369.db2.gz ZZIGADMPGRHOEU-PXNSSMCTSA-N 1 2 339.483 3.561 20 30 EHEDLO C[C@H]1CCCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183830091 1133862372 /nfs/dbraw/zinc/86/23/72/1133862372.db2.gz ZZIGADMPGRHOEU-PXNSSMCTSA-N 1 2 339.483 3.561 20 30 EHEDLO COC(=O)c1sc(SC)c(C#N)c1Nc1cc(C)c[nH+]c1C ZINC001203656629 1134312084 /nfs/dbraw/zinc/31/20/84/1134312084.db2.gz XZLAJOOJFHGDIA-UHFFFAOYSA-N 1 2 333.438 3.884 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790310707 1134401649 /nfs/dbraw/zinc/40/16/49/1134401649.db2.gz LPCSKXZRFZLFCH-UHFFFAOYSA-N 1 2 328.347 3.538 20 30 EHEDLO C=C(C)c1cccc(C(C)(C)NC(=O)NCc2c[nH+]cn2CCF)c1 ZINC001189285252 1134561204 /nfs/dbraw/zinc/56/12/04/1134561204.db2.gz NPCMYWXGCVVCFJ-UHFFFAOYSA-N 1 2 344.434 3.620 20 30 EHEDLO N#Cc1c(Cl)c(F)cc(C(=O)Nc2cccc3[nH+]ccn32)c1Cl ZINC001189825466 1134630543 /nfs/dbraw/zinc/63/05/43/1134630543.db2.gz DTOHEPXRYSTQTB-UHFFFAOYSA-N 1 2 349.152 3.904 20 30 EHEDLO N#Cc1ccc(CNc2c(Br)c[nH+]c3ccccc32)s1 ZINC001170203391 1134715575 /nfs/dbraw/zinc/71/55/75/1134715575.db2.gz UGIWFQKODJWHBM-UHFFFAOYSA-N 1 2 344.237 3.964 20 30 EHEDLO CCCCCCCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC001191051433 1134782912 /nfs/dbraw/zinc/78/29/12/1134782912.db2.gz OCMMLFMQDFOAHA-UHFFFAOYSA-N 1 2 332.492 3.664 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(OC)c(O)c1Br)C1CCCC1 ZINC000761203652 1135232003 /nfs/dbraw/zinc/23/20/03/1135232003.db2.gz LMCDOJNGGBBJKO-UHFFFAOYSA-N 1 2 338.245 3.541 20 30 EHEDLO C#CC[N@H+](Cc1ccc(OC)c(O)c1Br)C1CCCC1 ZINC000761203652 1135232007 /nfs/dbraw/zinc/23/20/07/1135232007.db2.gz LMCDOJNGGBBJKO-UHFFFAOYSA-N 1 2 338.245 3.541 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCc3ccc(F)cc3Cl)CCO2)c1 ZINC000811468541 1136094647 /nfs/dbraw/zinc/09/46/47/1136094647.db2.gz WMXZWCLQQAHFEI-IBGZPJMESA-N 1 2 344.817 3.967 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCc3ccc(F)cc3Cl)CCO2)c1 ZINC000811468541 1136094651 /nfs/dbraw/zinc/09/46/51/1136094651.db2.gz WMXZWCLQQAHFEI-IBGZPJMESA-N 1 2 344.817 3.967 20 30 EHEDLO C#C[C@H]([NH2+][C@@H](CCCC)C(=O)Nc1cc(C)on1)c1ccc(F)cc1 ZINC000812309602 1136193951 /nfs/dbraw/zinc/19/39/51/1136193951.db2.gz HMYYNFYTJMUJOI-IRXDYDNUSA-N 1 2 343.402 3.584 20 30 EHEDLO C=CCOCCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000850530843 1136280096 /nfs/dbraw/zinc/28/00/96/1136280096.db2.gz DVONIXHXJYAFED-SNVBAGLBSA-N 1 2 332.213 3.537 20 30 EHEDLO Cn1nccc1-c1ccccc1C=NNc1cc[nH+]c2ccccc12 ZINC000814221419 1136424766 /nfs/dbraw/zinc/42/47/66/1136424766.db2.gz CFYLEWOWPDVPOR-UHFFFAOYSA-N 1 2 327.391 3.503 20 30 EHEDLO Cc1ccc(C)c(OCC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852324872 1136448558 /nfs/dbraw/zinc/44/85/58/1136448558.db2.gz DBBBBSLTXBSMLA-OAQYLSRUSA-N 1 2 335.451 3.635 20 30 EHEDLO Cc1ccc(C)c(OCC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852324872 1136448561 /nfs/dbraw/zinc/44/85/61/1136448561.db2.gz DBBBBSLTXBSMLA-OAQYLSRUSA-N 1 2 335.451 3.635 20 30 EHEDLO CC(N=Nc1nc(Cl)c(Cl)cc1Cl)c1ccc(N)[nH+]c1 ZINC000814741019 1136500247 /nfs/dbraw/zinc/50/02/47/1136500247.db2.gz IHMAPIOVEZIMAG-UHFFFAOYSA-N 1 2 330.606 3.855 20 30 EHEDLO N#CC1CCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000853241498 1136521491 /nfs/dbraw/zinc/52/14/91/1136521491.db2.gz KJHAYICEFXJYRD-UHFFFAOYSA-N 1 2 343.434 3.982 20 30 EHEDLO O=[N+]([O-])c1cc(N[NH+]=C2CC[C@@H]3CNc4cccc2c43)ccc1F ZINC000814904968 1136523102 /nfs/dbraw/zinc/52/31/02/1136523102.db2.gz IAIAELJKOHYCSS-SNVBAGLBSA-N 1 2 326.331 3.853 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000853666716 1136553825 /nfs/dbraw/zinc/55/38/25/1136553825.db2.gz RAYBPIXAWPSLQM-MJGOQNOKSA-N 1 2 337.423 3.601 20 30 EHEDLO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000854061701 1136584820 /nfs/dbraw/zinc/58/48/20/1136584820.db2.gz GUUZUDLCAHLDQA-QGZVFWFLSA-N 1 2 347.466 3.700 20 30 EHEDLO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000854061701 1136584822 /nfs/dbraw/zinc/58/48/22/1136584822.db2.gz GUUZUDLCAHLDQA-QGZVFWFLSA-N 1 2 347.466 3.700 20 30 EHEDLO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(Br)cc(F)c1O ZINC000818357335 1136875580 /nfs/dbraw/zinc/87/55/80/1136875580.db2.gz ZOUSSBNUYIEQGV-WCABBAIRSA-N 1 2 327.197 3.637 20 30 EHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000818347440 1136874976 /nfs/dbraw/zinc/87/49/76/1136874976.db2.gz QXIRRKGPFYETFH-FTGAXOIBSA-N 1 2 344.224 3.536 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(Br)cc(F)c1O ZINC000818357334 1136875561 /nfs/dbraw/zinc/87/55/61/1136875561.db2.gz ZOUSSBNUYIEQGV-ATZCPNFKSA-N 1 2 327.197 3.637 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCN(c2ccccc2)C1 ZINC000820624940 1136998899 /nfs/dbraw/zinc/99/88/99/1136998899.db2.gz WQQQAAMNFGOGMB-GOSISDBHSA-N 1 2 335.451 3.812 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc(Cl)c(F)cc1O)C2 ZINC000862544659 1137149524 /nfs/dbraw/zinc/14/95/24/1137149524.db2.gz RPJVVCMWIUODHR-UHFFFAOYSA-N 1 2 330.790 3.809 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2/Cc3ccc(F)c(Cl)c3C2=O)s1 ZINC000844554078 1137234361 /nfs/dbraw/zinc/23/43/61/1137234361.db2.gz YDNCJFUHZAETAV-POHAHGRESA-N 1 2 336.819 3.820 20 30 EHEDLO C=C1CC(C)(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)C1 ZINC001144098133 1137238655 /nfs/dbraw/zinc/23/86/55/1137238655.db2.gz JNAHANLSAHGIFU-UHFFFAOYSA-N 1 2 338.455 3.844 20 30 EHEDLO COc1cnc(Cl)cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171184961 1137293049 /nfs/dbraw/zinc/29/30/49/1137293049.db2.gz CMTFGDJSMMEOTJ-UHFFFAOYSA-N 1 2 327.771 3.639 20 30 EHEDLO CNc1cc(Cl)cnc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171186119 1137295758 /nfs/dbraw/zinc/29/57/58/1137295758.db2.gz MPDHXQNTJKWKPB-UHFFFAOYSA-N 1 2 326.787 3.673 20 30 EHEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccccc1Cl ZINC000794862022 1137307874 /nfs/dbraw/zinc/30/78/74/1137307874.db2.gz JGGFCPZRGMAXPR-UHFFFAOYSA-N 1 2 325.803 3.862 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@@H](c1ccccc1F)[C@@H](C)O ZINC000846013066 1137325905 /nfs/dbraw/zinc/32/59/05/1137325905.db2.gz JMXXGQQPOUACEA-BFUOFWGJSA-N 1 2 347.817 3.703 20 30 EHEDLO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cccc(C#N)c1O ZINC000866311650 1137344512 /nfs/dbraw/zinc/34/45/12/1137344512.db2.gz JZQGBHPPEJWZEM-UONOGXRCSA-N 1 2 348.406 3.768 20 30 EHEDLO N#CC1([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CCCCCC1 ZINC001171870460 1137516858 /nfs/dbraw/zinc/51/68/58/1137516858.db2.gz SQGSLTAILOATOU-LJQANCHMSA-N 1 2 339.483 3.887 20 30 EHEDLO CCC(C#N)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172086452 1137532073 /nfs/dbraw/zinc/53/20/73/1137532073.db2.gz BWGZKRPQVPKJHC-MUJYYYPQSA-N 1 2 335.492 3.979 20 30 EHEDLO COC(=O)[C@H](CC1CCCCC1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301507 1137545150 /nfs/dbraw/zinc/54/51/50/1137545150.db2.gz PMXUGHGRDCHWMX-KXBFYZLASA-N 1 2 328.456 3.591 20 30 EHEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(C(=O)OCc2ccccc2)CCC1 ZINC001172297435 1137548719 /nfs/dbraw/zinc/54/87/19/1137548719.db2.gz PLWWSICMBRAOCC-QGZVFWFLSA-N 1 2 348.446 3.745 20 30 EHEDLO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cc(Cl)c(O)c(OCC)c2)no1 ZINC000872180448 1137575363 /nfs/dbraw/zinc/57/53/63/1137575363.db2.gz RMDJDWOFAVRXHK-JTQLQIEISA-N 1 2 344.198 3.637 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876795887 1137661571 /nfs/dbraw/zinc/66/15/71/1137661571.db2.gz BFZWLMTWAYNRJV-ZWKOTPCHSA-N 1 2 333.391 3.805 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876795887 1137661572 /nfs/dbraw/zinc/66/15/72/1137661572.db2.gz BFZWLMTWAYNRJV-ZWKOTPCHSA-N 1 2 333.391 3.805 20 30 EHEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000876863261 1137664094 /nfs/dbraw/zinc/66/40/94/1137664094.db2.gz BZPIEBAVSJLHAP-INIZCTEOSA-N 1 2 345.512 3.751 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2OCC2CC2)c1 ZINC000877052809 1137668771 /nfs/dbraw/zinc/66/87/71/1137668771.db2.gz WVOGELZHYZIOCD-UHFFFAOYSA-N 1 2 327.815 3.685 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000877671099 1137685134 /nfs/dbraw/zinc/68/51/34/1137685134.db2.gz FOSMDVIFEXPXIV-SRVKXCTJSA-N 1 2 327.774 3.771 20 30 EHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000878963339 1137733711 /nfs/dbraw/zinc/73/37/11/1137733711.db2.gz DQDOCHWYCJTVCG-UHFFFAOYSA-N 1 2 334.398 3.646 20 30 EHEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000880061967 1137766923 /nfs/dbraw/zinc/76/69/23/1137766923.db2.gz FOVOACLQOTXYDC-HZMBPMFUSA-N 1 2 332.753 3.753 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000880061967 1137766924 /nfs/dbraw/zinc/76/69/24/1137766924.db2.gz FOVOACLQOTXYDC-HZMBPMFUSA-N 1 2 332.753 3.753 20 30 EHEDLO C=CC[C@@H](C)Sc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000882031916 1137819318 /nfs/dbraw/zinc/81/93/18/1137819318.db2.gz RIKDBRJDBOIJBJ-MRXNPFEDSA-N 1 2 342.512 3.979 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000114723955 1137918643 /nfs/dbraw/zinc/91/86/43/1137918643.db2.gz XYSPSWXIMPIIQI-OAHLLOKOSA-N 1 2 329.469 3.693 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072590327 1138106279 /nfs/dbraw/zinc/10/62/79/1138106279.db2.gz DWVSXXZYRINMRP-UHFFFAOYSA-N 1 2 332.753 3.971 20 30 EHEDLO C=CCn1cc2ccc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)cc2n1 ZINC000886649404 1138106563 /nfs/dbraw/zinc/10/65/63/1138106563.db2.gz ZRENWVLUUAUAOD-GOSISDBHSA-N 1 2 337.427 3.645 20 30 EHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072722746 1138107464 /nfs/dbraw/zinc/10/74/64/1138107464.db2.gz SOLJYTZBJYPZHM-BLLLJJGKSA-N 1 2 343.427 3.780 20 30 EHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072722746 1138107465 /nfs/dbraw/zinc/10/74/65/1138107465.db2.gz SOLJYTZBJYPZHM-BLLLJJGKSA-N 1 2 343.427 3.780 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1C ZINC000075596317 1138128793 /nfs/dbraw/zinc/12/87/93/1138128793.db2.gz KFBKQFLGRZUQAD-UHFFFAOYSA-N 1 2 327.453 3.616 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(C)c1C ZINC000075596317 1138128794 /nfs/dbraw/zinc/12/87/94/1138128794.db2.gz KFBKQFLGRZUQAD-UHFFFAOYSA-N 1 2 327.453 3.616 20 30 EHEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2sccc2C#N)s1 ZINC000122005208 1138253320 /nfs/dbraw/zinc/25/33/20/1138253320.db2.gz CZOIHRXHDURWRW-LLVKDONJSA-N 1 2 348.497 3.579 20 30 EHEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2sccc2C#N)s1 ZINC000122005208 1138253322 /nfs/dbraw/zinc/25/33/22/1138253322.db2.gz CZOIHRXHDURWRW-LLVKDONJSA-N 1 2 348.497 3.579 20 30 EHEDLO C=CCCC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000337135616 1138475535 /nfs/dbraw/zinc/47/55/35/1138475535.db2.gz DGJSHFJZDNFGBR-INIZCTEOSA-N 1 2 327.472 3.672 20 30 EHEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1Cl ZINC000264377243 1138494004 /nfs/dbraw/zinc/49/40/04/1138494004.db2.gz FRMUWYLQEQQBMF-UHFFFAOYSA-N 1 2 327.819 3.604 20 30 EHEDLO N#Cc1ccc(Oc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)cc1 ZINC000338047198 1138733551 /nfs/dbraw/zinc/73/35/51/1138733551.db2.gz ORIUHSWGAHUMAS-UHFFFAOYSA-N 1 2 332.363 3.576 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000338163118 1138770644 /nfs/dbraw/zinc/77/06/44/1138770644.db2.gz LKPFRPRBQLDBSE-UHFFFAOYSA-N 1 2 340.452 3.561 20 30 EHEDLO C=C1CCC(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000889293996 1139190797 /nfs/dbraw/zinc/19/07/97/1139190797.db2.gz RUCCCAKUHPVIKE-UHFFFAOYSA-N 1 2 341.499 3.893 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C3(C#N)CC3)cc2)c1C ZINC000180188490 1139816241 /nfs/dbraw/zinc/81/62/41/1139816241.db2.gz GONVHELXWAVZPH-UHFFFAOYSA-N 1 2 349.434 3.534 20 30 EHEDLO C[C@H](c1nnc(SCCCCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000185464566 1140151427 /nfs/dbraw/zinc/15/14/27/1140151427.db2.gz MXOOWAHECWUVNV-CYBMUJFWSA-N 1 2 347.463 3.815 20 30 EHEDLO Cc1cc(C)c2ncc(C#N)c(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000266437333 1140687289 /nfs/dbraw/zinc/68/72/89/1140687289.db2.gz VHSFEBIHTXZUSO-UHFFFAOYSA-N 1 2 331.423 3.761 20 30 EHEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267470963 1140795201 /nfs/dbraw/zinc/79/52/01/1140795201.db2.gz UUCMNRXQVULBTP-UHFFFAOYSA-N 1 2 337.427 3.622 20 30 EHEDLO C#CCCCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270347982 1141210432 /nfs/dbraw/zinc/21/04/32/1141210432.db2.gz PBGFVQCLRMZCGL-UHFFFAOYSA-N 1 2 334.423 3.527 20 30 EHEDLO C=C(C)COc1cc(C[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)ccc1OC ZINC000270718911 1141262263 /nfs/dbraw/zinc/26/22/63/1141262263.db2.gz NIZJQVKNUJYYJP-CQSZACIVSA-N 1 2 344.459 3.742 20 30 EHEDLO C=CC[N@H+](Cc1c(C)nc2sc(C)nn21)Cc1ccc(OC)cc1 ZINC000271135306 1141312113 /nfs/dbraw/zinc/31/21/13/1141312113.db2.gz SHFFLWDALNGBNJ-UHFFFAOYSA-N 1 2 342.468 3.604 20 30 EHEDLO C=CC[N@@H+](Cc1c(C)nc2sc(C)nn21)Cc1ccc(OC)cc1 ZINC000271135306 1141312118 /nfs/dbraw/zinc/31/21/18/1141312118.db2.gz SHFFLWDALNGBNJ-UHFFFAOYSA-N 1 2 342.468 3.604 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510207356 1016438609 /nfs/dbraw/zinc/43/86/09/1016438609.db2.gz DUWWIBXIFMWPJX-IBGZPJMESA-N 1 2 347.890 3.606 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000510207356 1016438618 /nfs/dbraw/zinc/43/86/18/1016438618.db2.gz DUWWIBXIFMWPJX-IBGZPJMESA-N 1 2 347.890 3.606 20 30 EHEDLO C=CCCCN(CC)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000890812817 1017010336 /nfs/dbraw/zinc/01/03/36/1017010336.db2.gz OLIRCQDINGKVHT-UHFFFAOYSA-N 1 2 338.455 3.825 20 30 EHEDLO C[C@H](C#N)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000536709110 1032187159 /nfs/dbraw/zinc/18/71/59/1032187159.db2.gz HMYYBWXTVKFNOD-CYBMUJFWSA-N 1 2 325.368 3.979 20 30 EHEDLO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000536709110 1032187169 /nfs/dbraw/zinc/18/71/69/1032187169.db2.gz HMYYBWXTVKFNOD-CYBMUJFWSA-N 1 2 325.368 3.979 20 30 EHEDLO C=CCC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC1 ZINC000449151989 1032254347 /nfs/dbraw/zinc/25/43/47/1032254347.db2.gz CEXYKIVPWCAMLE-UHFFFAOYSA-N 1 2 328.456 3.594 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276247 1017301276 /nfs/dbraw/zinc/30/12/76/1017301276.db2.gz FUSWLMZVAJFWML-MRXNPFEDSA-N 1 2 335.386 3.592 20 30 EHEDLO COc1cccc(Nc2ccc3[nH+]cc(Br)n3c2)c1C#N ZINC001210121248 1017147934 /nfs/dbraw/zinc/14/79/34/1017147934.db2.gz WYGFSBUZRFYDOQ-UHFFFAOYSA-N 1 2 343.184 3.721 20 30 EHEDLO CCOCCCn1c2ccccc2[nH+]c1NCc1cccc(C#N)c1 ZINC000158972550 1017831278 /nfs/dbraw/zinc/83/12/78/1017831278.db2.gz QWFOVDBKEAUUMZ-UHFFFAOYSA-N 1 2 334.423 3.947 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1cccc(C#N)c1 ZINC000340443239 1017843228 /nfs/dbraw/zinc/84/32/28/1017843228.db2.gz FOUOTJMFUXRVGB-VXGBXAGGSA-N 1 2 329.350 3.514 20 30 EHEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OC[C@H]3CCCO3)cc1)C2 ZINC000594028826 1032796304 /nfs/dbraw/zinc/79/63/04/1032796304.db2.gz YWVKSNRDCXQHTN-OAQYLSRUSA-N 1 2 334.419 3.632 20 30 EHEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(OC[C@H]3CCCO3)cc1)C2 ZINC000594028826 1032796323 /nfs/dbraw/zinc/79/63/23/1032796323.db2.gz YWVKSNRDCXQHTN-OAQYLSRUSA-N 1 2 334.419 3.632 20 30 EHEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(OC[C@@H]3CCCO3)cc1)C2 ZINC000594028747 1032797194 /nfs/dbraw/zinc/79/71/94/1032797194.db2.gz YWVKSNRDCXQHTN-NRFANRHFSA-N 1 2 334.419 3.632 20 30 EHEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(OC[C@@H]3CCCO3)cc1)C2 ZINC000594028747 1032797198 /nfs/dbraw/zinc/79/71/98/1032797198.db2.gz YWVKSNRDCXQHTN-NRFANRHFSA-N 1 2 334.419 3.632 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000513412151 1019641728 /nfs/dbraw/zinc/64/17/28/1019641728.db2.gz VRYKFOOTRLWREY-OAQYLSRUSA-N 1 2 339.435 3.834 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)cc1 ZINC000513412151 1019641745 /nfs/dbraw/zinc/64/17/45/1019641745.db2.gz VRYKFOOTRLWREY-OAQYLSRUSA-N 1 2 339.435 3.834 20 30 EHEDLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000345244852 1020093767 /nfs/dbraw/zinc/09/37/67/1020093767.db2.gz OPWKHWKUAXBZGM-CYBMUJFWSA-N 1 2 344.821 3.629 20 30 EHEDLO Cc1ccc2cc(C[N@@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000897596085 1032888418 /nfs/dbraw/zinc/88/84/18/1032888418.db2.gz LTVWHDQHNKODER-NRFANRHFSA-N 1 2 331.419 3.922 20 30 EHEDLO Cc1ccc2cc(C[N@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000897596085 1032888435 /nfs/dbraw/zinc/88/84/35/1032888435.db2.gz LTVWHDQHNKODER-NRFANRHFSA-N 1 2 331.419 3.922 20 30 EHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000340912469 1020592041 /nfs/dbraw/zinc/59/20/41/1020592041.db2.gz RPMKXNZLFDDMML-ZLOXQWCVSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000340912469 1020592049 /nfs/dbraw/zinc/59/20/49/1020592049.db2.gz RPMKXNZLFDDMML-ZLOXQWCVSA-N 1 2 330.428 3.628 20 30 EHEDLO C[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000135120964 1020781945 /nfs/dbraw/zinc/78/19/45/1020781945.db2.gz IHSHBTIXKDGWAX-UHFFFAOYSA-N 1 2 340.333 3.518 20 30 EHEDLO C[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000135120964 1020781952 /nfs/dbraw/zinc/78/19/52/1020781952.db2.gz IHSHBTIXKDGWAX-UHFFFAOYSA-N 1 2 340.333 3.518 20 30 EHEDLO C=CC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1F ZINC000341264772 1021228349 /nfs/dbraw/zinc/22/83/49/1021228349.db2.gz VRQLWTDFWCPYCP-UHFFFAOYSA-N 1 2 331.387 3.737 20 30 EHEDLO C=CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1F ZINC000341264772 1021228358 /nfs/dbraw/zinc/22/83/58/1021228358.db2.gz VRQLWTDFWCPYCP-UHFFFAOYSA-N 1 2 331.387 3.737 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000439448450 1021451313 /nfs/dbraw/zinc/45/13/13/1021451313.db2.gz ZKGHSOIVFOQTJD-UHFFFAOYSA-N 1 2 340.810 3.557 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000439448450 1021451321 /nfs/dbraw/zinc/45/13/21/1021451321.db2.gz ZKGHSOIVFOQTJD-UHFFFAOYSA-N 1 2 340.810 3.557 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(OC(F)F)c1 ZINC000437423104 1021817620 /nfs/dbraw/zinc/81/76/20/1021817620.db2.gz DKSRAOFCNXFTDJ-LBPRGKRZSA-N 1 2 334.288 3.934 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(OC(F)F)c1 ZINC000437423104 1021817638 /nfs/dbraw/zinc/81/76/38/1021817638.db2.gz DKSRAOFCNXFTDJ-LBPRGKRZSA-N 1 2 334.288 3.934 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437581682 1021974446 /nfs/dbraw/zinc/97/44/46/1021974446.db2.gz MEIVUFBBZSQOOT-FZKQIMNGSA-N 1 2 339.826 3.986 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437581682 1021974450 /nfs/dbraw/zinc/97/44/50/1021974450.db2.gz MEIVUFBBZSQOOT-FZKQIMNGSA-N 1 2 339.826 3.986 20 30 EHEDLO Clc1ccccc1C#CC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000441147643 1022027134 /nfs/dbraw/zinc/02/71/34/1022027134.db2.gz REFIECKVZIHQTJ-SFHVURJKSA-N 1 2 329.827 3.966 20 30 EHEDLO Clc1ccccc1C#CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000441147643 1022027153 /nfs/dbraw/zinc/02/71/53/1022027153.db2.gz REFIECKVZIHQTJ-SFHVURJKSA-N 1 2 329.827 3.966 20 30 EHEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCc3sccc3[C@@H]1C)CCC2 ZINC000328657494 1022455948 /nfs/dbraw/zinc/45/59/48/1022455948.db2.gz PCMOGDCPTKKBQK-KBPBESRZSA-N 1 2 344.484 3.664 20 30 EHEDLO C=C[C@@](C)(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003141 1022644316 /nfs/dbraw/zinc/64/43/16/1022644316.db2.gz SLQGJVATXFAVAB-KNBMTAEXSA-N 1 2 341.455 3.885 20 30 EHEDLO C=C[C@@](C)(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C)O2)no1 ZINC000665003141 1022644321 /nfs/dbraw/zinc/64/43/21/1022644321.db2.gz SLQGJVATXFAVAB-KNBMTAEXSA-N 1 2 341.455 3.885 20 30 EHEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330783760 1022684229 /nfs/dbraw/zinc/68/42/29/1022684229.db2.gz QWLMFWZGLDEARW-OAHLLOKOSA-N 1 2 327.472 3.764 20 30 EHEDLO Cc1cc(C)c(NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)c(C)[nH+]1 ZINC000331294768 1022792317 /nfs/dbraw/zinc/79/23/17/1022792317.db2.gz CHCOYOCCKGKMLS-GFCCVEGCSA-N 1 2 331.420 3.774 20 30 EHEDLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Br)n1 ZINC000184282630 1022798301 /nfs/dbraw/zinc/79/83/01/1022798301.db2.gz USIVARNHFGDHED-SNVBAGLBSA-N 1 2 336.258 3.937 20 30 EHEDLO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602758911 1033130710 /nfs/dbraw/zinc/13/07/10/1033130710.db2.gz JJDMJKCWDYDASC-HNNXBMFYSA-N 1 2 340.496 3.669 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000514083486 1024117987 /nfs/dbraw/zinc/11/79/87/1024117987.db2.gz LLRCDEWNESCORN-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000514083486 1024117998 /nfs/dbraw/zinc/11/79/98/1024117998.db2.gz LLRCDEWNESCORN-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(N2CCc3ccccc32)cc1 ZINC000514113021 1024146649 /nfs/dbraw/zinc/14/66/49/1024146649.db2.gz MWFLPYZQNAQQHJ-UHFFFAOYSA-N 1 2 347.462 3.993 20 30 EHEDLO O=C(C[NH+]1CCC(OCC2CC2)CC1)Nc1nc2c(s1)CCCC2 ZINC000329769576 1024185792 /nfs/dbraw/zinc/18/57/92/1024185792.db2.gz HYNOTWDSMGCPLE-UHFFFAOYSA-N 1 2 349.500 3.501 20 30 EHEDLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000329906031 1024243561 /nfs/dbraw/zinc/24/35/61/1024243561.db2.gz JVQMILFMLVPSDC-ZACQAIPSSA-N 1 2 332.492 3.728 20 30 EHEDLO C#CC[N@@H+](Cn1c2c(sc1=O)C[C@@H](CC)CC2)C1CCCCC1 ZINC000728044855 1024285641 /nfs/dbraw/zinc/28/56/41/1024285641.db2.gz XCLMUJUPMIDUSN-HNNXBMFYSA-N 1 2 332.513 3.650 20 30 EHEDLO C#CC[N@H+](Cn1c2c(sc1=O)C[C@@H](CC)CC2)C1CCCCC1 ZINC000728044855 1024285661 /nfs/dbraw/zinc/28/56/61/1024285661.db2.gz XCLMUJUPMIDUSN-HNNXBMFYSA-N 1 2 332.513 3.650 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330097221 1024315729 /nfs/dbraw/zinc/31/57/29/1024315729.db2.gz ANAKIJJKQVMFEN-ABSDTBQOSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000330097221 1024315739 /nfs/dbraw/zinc/31/57/39/1024315739.db2.gz ANAKIJJKQVMFEN-ABSDTBQOSA-N 1 2 346.471 3.550 20 30 EHEDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346196878 1024518518 /nfs/dbraw/zinc/51/85/18/1024518518.db2.gz PKGIMJYGAQDFDW-BLLLJJGKSA-N 1 2 327.407 3.598 20 30 EHEDLO CCC(CC)CN(CCC#N)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000104546110 1024778461 /nfs/dbraw/zinc/77/84/61/1024778461.db2.gz CXWMOVWKRXSMDZ-UHFFFAOYSA-N 1 2 338.455 3.723 20 30 EHEDLO C[N@H+](Cc1cscn1)Cc1cccc(NC[C@@H](C#N)CCC#N)c1 ZINC000514932474 1024910416 /nfs/dbraw/zinc/91/04/16/1024910416.db2.gz HLGABSDNKOEZQG-MRXNPFEDSA-N 1 2 339.468 3.631 20 30 EHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NC[C@@H](C#N)CCC#N)c1 ZINC000514932474 1024910429 /nfs/dbraw/zinc/91/04/29/1024910429.db2.gz HLGABSDNKOEZQG-MRXNPFEDSA-N 1 2 339.468 3.631 20 30 EHEDLO O=C(NC1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330341498 1025025772 /nfs/dbraw/zinc/02/57/72/1025025772.db2.gz ZHWZURQZBPTJCC-UHFFFAOYSA-N 1 2 330.476 3.646 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc1OC ZINC000277415979 1025026776 /nfs/dbraw/zinc/02/67/76/1025026776.db2.gz MEBDNYOHIJRUOS-KGLIPLIRSA-N 1 2 344.459 3.742 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cccc(F)c3C#N)CC2)c1 ZINC000428253843 1025370820 /nfs/dbraw/zinc/37/08/20/1025370820.db2.gz SPEDWXJKYVSOEY-UHFFFAOYSA-N 1 2 335.382 3.612 20 30 EHEDLO CC(C)(C#N)CCCC[S@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000436091780 1025382193 /nfs/dbraw/zinc/38/21/93/1025382193.db2.gz PMLSUNKFVLHCQA-DEOSSOPVSA-N 1 2 343.496 3.900 20 30 EHEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000892244418 1025777346 /nfs/dbraw/zinc/77/73/46/1025777346.db2.gz IUSPDNLCLIIFHX-FQEVSTJZSA-N 1 2 338.455 3.526 20 30 EHEDLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000892244418 1025777358 /nfs/dbraw/zinc/77/73/58/1025777358.db2.gz IUSPDNLCLIIFHX-FQEVSTJZSA-N 1 2 338.455 3.526 20 30 EHEDLO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000934468284 1026255999 /nfs/dbraw/zinc/25/59/99/1026255999.db2.gz WPTASJGRDWTODA-GJZGRUSLSA-N 1 2 329.469 3.670 20 30 EHEDLO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000934468284 1026256008 /nfs/dbraw/zinc/25/60/08/1026256008.db2.gz WPTASJGRDWTODA-GJZGRUSLSA-N 1 2 329.469 3.670 20 30 EHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000451882846 1026350224 /nfs/dbraw/zinc/35/02/24/1026350224.db2.gz STOLFZAUIDMKAJ-CQSZACIVSA-N 1 2 344.808 3.508 20 30 EHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000451882846 1026350237 /nfs/dbraw/zinc/35/02/37/1026350237.db2.gz STOLFZAUIDMKAJ-CQSZACIVSA-N 1 2 344.808 3.508 20 30 EHEDLO C=CCOc1ccccc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000582511337 1026470721 /nfs/dbraw/zinc/47/07/21/1026470721.db2.gz FYKLEOHRKDPKDN-UHFFFAOYSA-N 1 2 346.390 3.848 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2Br)c(F)c1 ZINC000178622834 1026761607 /nfs/dbraw/zinc/76/16/07/1026761607.db2.gz SPNVMWRSXDYIQG-UHFFFAOYSA-N 1 2 337.167 3.889 20 30 EHEDLO CC[N@H+](Cc1ncnn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000282008186 1027723187 /nfs/dbraw/zinc/72/31/87/1027723187.db2.gz OEZFPOPHYQZLPM-MRXNPFEDSA-N 1 2 331.423 3.722 20 30 EHEDLO CC[N@@H+](Cc1ncnn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000282008186 1027723204 /nfs/dbraw/zinc/72/32/04/1027723204.db2.gz OEZFPOPHYQZLPM-MRXNPFEDSA-N 1 2 331.423 3.722 20 30 EHEDLO C=C[C@@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000153599984 1028289707 /nfs/dbraw/zinc/28/97/07/1028289707.db2.gz MYCSLWIXNCHVRX-KRWDZBQOSA-N 1 2 335.451 3.527 20 30 EHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000502555097 1028354766 /nfs/dbraw/zinc/35/47/66/1028354766.db2.gz UQUHQBRTHRHLMY-UHFFFAOYSA-N 1 2 337.354 3.895 20 30 EHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000502555097 1028354779 /nfs/dbraw/zinc/35/47/79/1028354779.db2.gz UQUHQBRTHRHLMY-UHFFFAOYSA-N 1 2 337.354 3.895 20 30 EHEDLO N#CC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000057907900 1028378960 /nfs/dbraw/zinc/37/89/60/1028378960.db2.gz NGASGMCFMXIWSY-LJQANCHMSA-N 1 2 337.398 3.741 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121530023 1028498360 /nfs/dbraw/zinc/49/83/60/1028498360.db2.gz GRZHEKGBJOJWCG-UHFFFAOYSA-N 1 2 337.379 3.640 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000121530023 1028498376 /nfs/dbraw/zinc/49/83/76/1028498376.db2.gz GRZHEKGBJOJWCG-UHFFFAOYSA-N 1 2 337.379 3.640 20 30 EHEDLO C[C@@H](C#N)C[N@H+](Cc1cn(C)nc1-c1cc2ccccc2o1)C1CC1 ZINC000611276059 1029048244 /nfs/dbraw/zinc/04/82/44/1029048244.db2.gz IETDLBFBTFEEEA-AWEZNQCLSA-N 1 2 334.423 3.957 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](Cc1cn(C)nc1-c1cc2ccccc2o1)C1CC1 ZINC000611276059 1029048262 /nfs/dbraw/zinc/04/82/62/1029048262.db2.gz IETDLBFBTFEEEA-AWEZNQCLSA-N 1 2 334.423 3.957 20 30 EHEDLO Cc1cc(C)c(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)c[nH+]1 ZINC000454574953 1029053672 /nfs/dbraw/zinc/05/36/72/1029053672.db2.gz HPYPXHUKFXBCJG-UHFFFAOYSA-N 1 2 338.411 3.679 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000454677528 1029169515 /nfs/dbraw/zinc/16/95/15/1029169515.db2.gz UAYYSANUSAQRTO-UHFFFAOYSA-N 1 2 325.412 3.975 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)o1 ZINC000154847351 1029337827 /nfs/dbraw/zinc/33/78/27/1029337827.db2.gz QBDFTYRRPDNBBQ-UHFFFAOYSA-N 1 2 328.799 3.900 20 30 EHEDLO CCCCCCCC[C@H](C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC001272149595 1029676350 /nfs/dbraw/zinc/67/63/50/1029676350.db2.gz UOXUGHJIOFWRKE-OTWHNJEPSA-N 1 2 338.536 3.695 20 30 EHEDLO C=CCOc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1Cl ZINC000272890124 1029822188 /nfs/dbraw/zinc/82/21/88/1029822188.db2.gz ZFFYEGSBXRHMPE-UHFFFAOYSA-N 1 2 349.780 3.794 20 30 EHEDLO C[C@]1(c2ccccc2)C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000525893210 1030218438 /nfs/dbraw/zinc/21/84/38/1030218438.db2.gz AZAVIRCHFNOSSV-LJQANCHMSA-N 1 2 326.827 3.959 20 30 EHEDLO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000525893210 1030218459 /nfs/dbraw/zinc/21/84/59/1030218459.db2.gz AZAVIRCHFNOSSV-LJQANCHMSA-N 1 2 326.827 3.959 20 30 EHEDLO N#CC1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000159838345 1030392918 /nfs/dbraw/zinc/39/29/18/1030392918.db2.gz SWXDQXDADRRCKM-UHFFFAOYSA-N 1 2 346.228 3.840 20 30 EHEDLO Cn1ncc(C2CCC2)c1/C=C/C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000901568884 1030603185 /nfs/dbraw/zinc/60/31/85/1030603185.db2.gz GYPZJTLRCMTSNY-CMDGGOBGSA-N 1 2 332.407 3.769 20 30 EHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(C(F)F)c3)CC2)cc1 ZINC000347969386 1031290310 /nfs/dbraw/zinc/29/03/10/1031290310.db2.gz LGMHIIZNCFKSJL-UHFFFAOYSA-N 1 2 341.405 3.814 20 30 EHEDLO N#CCCCCCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224689307 1031415066 /nfs/dbraw/zinc/41/50/66/1031415066.db2.gz BAXIJUBTGPYSHD-CYBMUJFWSA-N 1 2 327.881 3.861 20 30 EHEDLO N#CCCCCCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224689307 1031415074 /nfs/dbraw/zinc/41/50/74/1031415074.db2.gz BAXIJUBTGPYSHD-CYBMUJFWSA-N 1 2 327.881 3.861 20 30 EHEDLO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000584030971 1031505574 /nfs/dbraw/zinc/50/55/74/1031505574.db2.gz AMKXLRRDPNKWOR-PXAZEXFGSA-N 1 2 330.815 3.604 20 30 EHEDLO CCC(C#N)(CC)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000528140323 1031768663 /nfs/dbraw/zinc/76/86/63/1031768663.db2.gz OYRKWLIWYGMTSH-ZDUSSCGKSA-N 1 2 334.489 3.643 20 30 EHEDLO CCC(C#N)(CC)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000528140323 1031768672 /nfs/dbraw/zinc/76/86/72/1031768672.db2.gz OYRKWLIWYGMTSH-ZDUSSCGKSA-N 1 2 334.489 3.643 20 30 EHEDLO C=C(C)C[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000181327083 1031973784 /nfs/dbraw/zinc/97/37/84/1031973784.db2.gz HXOLCSALHOJYGK-UHFFFAOYSA-N 1 2 329.469 3.641 20 30 EHEDLO C=C(C)C[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2C)n1 ZINC000181327083 1031973796 /nfs/dbraw/zinc/97/37/96/1031973796.db2.gz HXOLCSALHOJYGK-UHFFFAOYSA-N 1 2 329.469 3.641 20 30 EHEDLO CCCCn1c(SCC2(CC#N)CC2)nnc1[C@H](CC)[NH+](C)C ZINC000594883140 1033529688 /nfs/dbraw/zinc/52/96/88/1033529688.db2.gz NTMLJNAUUCFLQH-AWEZNQCLSA-N 1 2 335.521 3.877 20 30 EHEDLO CCCCn1c(SCC2(CC#N)CC2)nnc1[C@@H](CC)[NH+](C)C ZINC000594883143 1033530703 /nfs/dbraw/zinc/53/07/03/1033530703.db2.gz NTMLJNAUUCFLQH-CQSZACIVSA-N 1 2 335.521 3.877 20 30 EHEDLO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(COc2ccccc2)[nH]1 ZINC000657977069 1033785738 /nfs/dbraw/zinc/78/57/38/1033785738.db2.gz XBGGUXUBSXDFER-NVXWUHKLSA-N 1 2 326.444 3.608 20 30 EHEDLO C[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c2ccccc2S1 ZINC000595618781 1033902798 /nfs/dbraw/zinc/90/27/98/1033902798.db2.gz RIFIUBJBJVBQNZ-JKSUJKDBSA-N 1 2 343.496 3.530 20 30 EHEDLO C[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc2S1 ZINC000595618781 1033902813 /nfs/dbraw/zinc/90/28/13/1033902813.db2.gz RIFIUBJBJVBQNZ-JKSUJKDBSA-N 1 2 343.496 3.530 20 30 EHEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3ccco3)CC2)c(C#N)c1C ZINC000595614037 1033925616 /nfs/dbraw/zinc/92/56/16/1033925616.db2.gz DKODMGCBDYREIN-UHFFFAOYSA-N 1 2 343.452 3.648 20 30 EHEDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000595814433 1033992062 /nfs/dbraw/zinc/99/20/62/1033992062.db2.gz GMXWWFAIEUXJID-CYBMUJFWSA-N 1 2 336.382 3.693 20 30 EHEDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000595814433 1033992069 /nfs/dbraw/zinc/99/20/69/1033992069.db2.gz GMXWWFAIEUXJID-CYBMUJFWSA-N 1 2 336.382 3.693 20 30 EHEDLO CCn1c(C[N@@H+]2CCc3c(CC#N)cccc3C2)nc2cc(F)ccc21 ZINC000599678338 1034106481 /nfs/dbraw/zinc/10/64/81/1034106481.db2.gz UEDZOZDRXAMKDI-UHFFFAOYSA-N 1 2 348.425 3.820 20 30 EHEDLO CCn1c(C[N@H+]2CCc3c(CC#N)cccc3C2)nc2cc(F)ccc21 ZINC000599678338 1034106495 /nfs/dbraw/zinc/10/64/95/1034106495.db2.gz UEDZOZDRXAMKDI-UHFFFAOYSA-N 1 2 348.425 3.820 20 30 EHEDLO Cc1cc([C@@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)c(O)cc1Cl ZINC000597222782 1034623670 /nfs/dbraw/zinc/62/36/70/1034623670.db2.gz IEECGTCSWFFSFJ-LLVKDONJSA-N 1 2 333.844 3.672 20 30 EHEDLO Cc1cc([C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)c(O)cc1Cl ZINC000597222782 1034623687 /nfs/dbraw/zinc/62/36/87/1034623687.db2.gz IEECGTCSWFFSFJ-LLVKDONJSA-N 1 2 333.844 3.672 20 30 EHEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000612406877 1034898192 /nfs/dbraw/zinc/89/81/92/1034898192.db2.gz VXQNINLCRKROKN-GOSISDBHSA-N 1 2 325.368 3.980 20 30 EHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000612406877 1034898201 /nfs/dbraw/zinc/89/82/01/1034898201.db2.gz VXQNINLCRKROKN-GOSISDBHSA-N 1 2 325.368 3.980 20 30 EHEDLO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)C#N)o2)c([N+](=O)[O-])c1 ZINC000612588267 1035081920 /nfs/dbraw/zinc/08/19/20/1035081920.db2.gz WYPPICCWCKINHM-UHFFFAOYSA-N 1 2 329.356 3.503 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCc3ccccc3C2)c(C#N)c1C ZINC000171595259 1035867356 /nfs/dbraw/zinc/86/73/56/1035867356.db2.gz FGULCVVLJLJVIR-CQSZACIVSA-N 1 2 337.423 3.544 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCc3ccccc3C2)c(C#N)c1C ZINC000171595259 1035867382 /nfs/dbraw/zinc/86/73/82/1035867382.db2.gz FGULCVVLJLJVIR-CQSZACIVSA-N 1 2 337.423 3.544 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000589272765 1036335588 /nfs/dbraw/zinc/33/55/88/1036335588.db2.gz VGVXYHCHEHFOSS-JKSUJKDBSA-N 1 2 349.272 3.710 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H]1[C@@H]1CCCO1 ZINC000589272765 1036335606 /nfs/dbraw/zinc/33/56/06/1036335606.db2.gz VGVXYHCHEHFOSS-JKSUJKDBSA-N 1 2 349.272 3.710 20 30 EHEDLO C=CCC1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CCC1 ZINC000191271790 1036358771 /nfs/dbraw/zinc/35/87/71/1036358771.db2.gz SCZIWLXQYCOFRX-UHFFFAOYSA-N 1 2 339.439 3.567 20 30 EHEDLO C=CCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000236586767 1037524532 /nfs/dbraw/zinc/52/45/32/1037524532.db2.gz NPPCUYHUQUPTHL-UHFFFAOYSA-N 1 2 335.039 3.583 20 30 EHEDLO COCc1cccc(OCC2(C[N@H+](CC#N)C3CCCC3)CC2)c1 ZINC000538782118 1038539575 /nfs/dbraw/zinc/53/95/75/1038539575.db2.gz SPVABMQWBBWCOR-UHFFFAOYSA-N 1 2 328.456 3.760 20 30 EHEDLO COCc1cccc(OCC2(C[N@@H+](CC#N)C3CCCC3)CC2)c1 ZINC000538782118 1038539580 /nfs/dbraw/zinc/53/95/80/1038539580.db2.gz SPVABMQWBBWCOR-UHFFFAOYSA-N 1 2 328.456 3.760 20 30 EHEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000378533603 1038704223 /nfs/dbraw/zinc/70/42/23/1038704223.db2.gz XIRQSCQLEGKKHF-QGZVFWFLSA-N 1 2 339.345 3.869 20 30 EHEDLO CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000905443075 1038902696 /nfs/dbraw/zinc/90/26/96/1038902696.db2.gz SLCFVMGXAVFBOD-UHFFFAOYSA-N 1 2 348.410 3.866 20 30 EHEDLO CCC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000512426720 1039105353 /nfs/dbraw/zinc/10/53/53/1039105353.db2.gz ITOVSNYRHBEBEK-HNNXBMFYSA-N 1 2 339.414 3.937 20 30 EHEDLO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000512426720 1039105360 /nfs/dbraw/zinc/10/53/60/1039105360.db2.gz ITOVSNYRHBEBEK-HNNXBMFYSA-N 1 2 339.414 3.937 20 30 EHEDLO CC[N@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000488558267 1039272735 /nfs/dbraw/zinc/27/27/35/1039272735.db2.gz WZVYGOKIMFQRQJ-HNNXBMFYSA-N 1 2 347.890 3.893 20 30 EHEDLO CC[N@@H+](Cc1ccccc1Cl)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000488558267 1039272750 /nfs/dbraw/zinc/27/27/50/1039272750.db2.gz WZVYGOKIMFQRQJ-HNNXBMFYSA-N 1 2 347.890 3.893 20 30 EHEDLO C=C1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000893788443 1039716910 /nfs/dbraw/zinc/71/69/10/1039716910.db2.gz MLHOVOWYBAKBAV-IBGZPJMESA-N 1 2 338.455 3.603 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000480681824 1039896819 /nfs/dbraw/zinc/89/68/19/1039896819.db2.gz INKIYUGYWCJVDW-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000480681824 1039896835 /nfs/dbraw/zinc/89/68/35/1039896835.db2.gz INKIYUGYWCJVDW-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489539287 1040061197 /nfs/dbraw/zinc/06/11/97/1040061197.db2.gz RNBINZDGKMJNGF-HZPDHXFCSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489539287 1040061209 /nfs/dbraw/zinc/06/12/09/1040061209.db2.gz RNBINZDGKMJNGF-HZPDHXFCSA-N 1 2 338.854 3.943 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000249474195 1040219364 /nfs/dbraw/zinc/21/93/64/1040219364.db2.gz VCDAADHQTZNIEL-XKQJLSEDSA-N 1 2 330.428 3.626 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)o1 ZINC000249474195 1040219383 /nfs/dbraw/zinc/21/93/83/1040219383.db2.gz VCDAADHQTZNIEL-XKQJLSEDSA-N 1 2 330.428 3.626 20 30 EHEDLO CCn1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1C(F)(F)F ZINC000555159830 1040241232 /nfs/dbraw/zinc/24/12/32/1040241232.db2.gz VHCPWNZRXUCMDV-UHFFFAOYSA-N 1 2 344.340 3.981 20 30 EHEDLO N#CC1(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)CCCC1 ZINC000600173400 1040764075 /nfs/dbraw/zinc/76/40/75/1040764075.db2.gz OCAOSBZRIYECNE-UHFFFAOYSA-N 1 2 330.325 3.940 20 30 EHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000509787069 1040829775 /nfs/dbraw/zinc/82/97/75/1040829775.db2.gz NBXSSDMQHAJLME-VIFPVBQESA-N 1 2 346.066 3.803 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000509787069 1040829783 /nfs/dbraw/zinc/82/97/83/1040829783.db2.gz NBXSSDMQHAJLME-VIFPVBQESA-N 1 2 346.066 3.803 20 30 EHEDLO C[C@@]1(C#N)CC[N@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000662080926 1042500001 /nfs/dbraw/zinc/50/00/01/1042500001.db2.gz QTKBEEMRQJOPPF-INIZCTEOSA-N 1 2 335.245 3.648 20 30 EHEDLO C[C@@]1(C#N)CC[N@@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000662080926 1042500007 /nfs/dbraw/zinc/50/00/07/1042500007.db2.gz QTKBEEMRQJOPPF-INIZCTEOSA-N 1 2 335.245 3.648 20 30 EHEDLO Cc1cccn2c(C[N@@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cnc12 ZINC000093872358 1042566112 /nfs/dbraw/zinc/56/61/12/1042566112.db2.gz QHIBGRLRBHSEMV-PMACEKPBSA-N 1 2 330.435 3.915 20 30 EHEDLO Cc1cccn2c(C[N@H+]3CCC[C@H]3[C@@H](C#N)c3ccccc3)cnc12 ZINC000093872358 1042566117 /nfs/dbraw/zinc/56/61/17/1042566117.db2.gz QHIBGRLRBHSEMV-PMACEKPBSA-N 1 2 330.435 3.915 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000053944020 1042799672 /nfs/dbraw/zinc/79/96/72/1042799672.db2.gz WQQRGKALIICQDE-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO N#Cc1sc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc1Cl ZINC000828201287 1043040765 /nfs/dbraw/zinc/04/07/65/1043040765.db2.gz FNEGBEKYPZIQQX-XYPYZODXSA-N 1 2 333.848 3.898 20 30 EHEDLO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc(F)c(C#N)c1Cl ZINC000432410639 1043110488 /nfs/dbraw/zinc/11/04/88/1043110488.db2.gz QPEDLJODINOFCD-UHFFFAOYSA-N 1 2 346.768 3.893 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCc3occc3C2)c1 ZINC000344304159 1043637575 /nfs/dbraw/zinc/63/75/75/1043637575.db2.gz VZGUYRZIQDPWAO-UHFFFAOYSA-N 1 2 331.213 3.862 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCc3occc3C2)c1 ZINC000344304159 1043637590 /nfs/dbraw/zinc/63/75/90/1043637590.db2.gz VZGUYRZIQDPWAO-UHFFFAOYSA-N 1 2 331.213 3.862 20 30 EHEDLO COC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C)o1 ZINC000184662724 1127410528 /nfs/dbraw/zinc/41/05/28/1127410528.db2.gz RNGVRDKGRKIULR-INIZCTEOSA-N 1 2 337.341 3.936 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000765004465 1127563658 /nfs/dbraw/zinc/56/36/58/1127563658.db2.gz XBFUKWKLFLCSKU-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000765004465 1127563661 /nfs/dbraw/zinc/56/36/61/1127563661.db2.gz XBFUKWKLFLCSKU-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000765067756 1127569805 /nfs/dbraw/zinc/56/98/05/1127569805.db2.gz MQASRCZCWYOHFC-CQSZACIVSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000765067756 1127569807 /nfs/dbraw/zinc/56/98/07/1127569807.db2.gz MQASRCZCWYOHFC-CQSZACIVSA-N 1 2 343.500 3.740 20 30 EHEDLO N#Cc1cc(Nc2ccc[nH+]c2N2CCOCC2)cc(C(F)(F)F)c1 ZINC001212362309 1127995121 /nfs/dbraw/zinc/99/51/21/1127995121.db2.gz JZSJAJPIORKVQR-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO N#Cc1cc(Cl)c(Cl)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212368985 1128061699 /nfs/dbraw/zinc/06/16/99/1128061699.db2.gz PAFKHMWGDLMKPL-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000057847794 1128716065 /nfs/dbraw/zinc/71/60/65/1128716065.db2.gz GNYIOOUYZVJWEM-UHFFFAOYSA-N 1 2 336.284 3.665 20 30 EHEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000057847794 1128716068 /nfs/dbraw/zinc/71/60/68/1128716068.db2.gz GNYIOOUYZVJWEM-UHFFFAOYSA-N 1 2 336.284 3.665 20 30 EHEDLO N#CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000542880677 1128738736 /nfs/dbraw/zinc/73/87/36/1128738736.db2.gz ZUGJAMRZSBADPP-UHFFFAOYSA-N 1 2 326.227 3.558 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1cccs1 ZINC000620643795 1128802974 /nfs/dbraw/zinc/80/29/74/1128802974.db2.gz FZUSNFMRWCJWDT-AWEZNQCLSA-N 1 2 332.444 3.753 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1cccs1 ZINC000620643795 1128802979 /nfs/dbraw/zinc/80/29/79/1128802979.db2.gz FZUSNFMRWCJWDT-AWEZNQCLSA-N 1 2 332.444 3.753 20 30 EHEDLO CCOC(=O)C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C(C)C ZINC000110984944 1128823047 /nfs/dbraw/zinc/82/30/47/1128823047.db2.gz OCQKEXNHWRPNLW-UHFFFAOYSA-N 1 2 336.435 3.999 20 30 EHEDLO CCOC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C(C)C ZINC000110984944 1128823052 /nfs/dbraw/zinc/82/30/52/1128823052.db2.gz OCQKEXNHWRPNLW-UHFFFAOYSA-N 1 2 336.435 3.999 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1C ZINC000128200929 1122537211 /nfs/dbraw/zinc/53/72/11/1122537211.db2.gz FVUFCIRURJOGIQ-KRWDZBQOSA-N 1 2 339.439 3.836 20 30 EHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1C ZINC000128200929 1122537214 /nfs/dbraw/zinc/53/72/14/1122537214.db2.gz FVUFCIRURJOGIQ-KRWDZBQOSA-N 1 2 339.439 3.836 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000466442674 1129448688 /nfs/dbraw/zinc/44/86/88/1129448688.db2.gz WKTJQONMCULNDH-HKUYNNGSSA-N 1 2 325.456 3.960 20 30 EHEDLO C=CC[C@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000466525461 1129511592 /nfs/dbraw/zinc/51/15/92/1129511592.db2.gz IGYBKDJOKYTKRW-HNNXBMFYSA-N 1 2 337.467 3.697 20 30 EHEDLO C=CC[C@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000466525461 1129511594 /nfs/dbraw/zinc/51/15/94/1129511594.db2.gz IGYBKDJOKYTKRW-HNNXBMFYSA-N 1 2 337.467 3.697 20 30 EHEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000392322851 1129710236 /nfs/dbraw/zinc/71/02/36/1129710236.db2.gz AJZOQQZYKRTNRK-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO O=C(CCCn1cc[nH+]c1)Nc1ccccc1C#Cc1ccccc1 ZINC000673730683 1129817032 /nfs/dbraw/zinc/81/70/32/1129817032.db2.gz SGCPYRPRUMHOHF-UHFFFAOYSA-N 1 2 329.403 3.702 20 30 EHEDLO COc1ccc(OC)c(C[N@H+](Cc2ccc(C#N)s2)C2CC2)c1 ZINC000133410418 1129946488 /nfs/dbraw/zinc/94/64/88/1129946488.db2.gz WSUBTAGVBKCFSK-UHFFFAOYSA-N 1 2 328.437 3.802 20 30 EHEDLO COc1ccc(OC)c(C[N@@H+](Cc2ccc(C#N)s2)C2CC2)c1 ZINC000133410418 1129946491 /nfs/dbraw/zinc/94/64/91/1129946491.db2.gz WSUBTAGVBKCFSK-UHFFFAOYSA-N 1 2 328.437 3.802 20 30 EHEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)nn1 ZINC000625655631 1129968155 /nfs/dbraw/zinc/96/81/55/1129968155.db2.gz PJHVRAJSUYPSKZ-OAHLLOKOSA-N 1 2 332.398 3.512 20 30 EHEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)nn1 ZINC000625655631 1129968157 /nfs/dbraw/zinc/96/81/57/1129968157.db2.gz PJHVRAJSUYPSKZ-OAHLLOKOSA-N 1 2 332.398 3.512 20 30 EHEDLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000172912399 1130167426 /nfs/dbraw/zinc/16/74/26/1130167426.db2.gz HNWASQXUWOKVPH-ZDUSSCGKSA-N 1 2 339.826 3.597 20 30 EHEDLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000172912399 1130167429 /nfs/dbraw/zinc/16/74/29/1130167429.db2.gz HNWASQXUWOKVPH-ZDUSSCGKSA-N 1 2 339.826 3.597 20 30 EHEDLO C[N@@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000245937506 1130332660 /nfs/dbraw/zinc/33/26/60/1130332660.db2.gz ZRYYNMCYQYWKAN-JKSUJKDBSA-N 1 2 348.784 3.742 20 30 EHEDLO C[N@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000245937506 1130332666 /nfs/dbraw/zinc/33/26/66/1130332666.db2.gz ZRYYNMCYQYWKAN-JKSUJKDBSA-N 1 2 348.784 3.742 20 30 EHEDLO Oc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1Br ZINC000730147570 1130679022 /nfs/dbraw/zinc/67/90/22/1130679022.db2.gz QYQJYVJTSCASKR-UHFFFAOYSA-N 1 2 342.196 3.571 20 30 EHEDLO COc1ccc(-c2nc3c(s2)C(=O)/C(=C\c2[nH]cc[nH+]2)CC3)cc1 ZINC000731159376 1130774137 /nfs/dbraw/zinc/77/41/37/1130774137.db2.gz PMBYPKSFDDGSKC-BENRWUELSA-N 1 2 337.404 3.754 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000731488826 1130802534 /nfs/dbraw/zinc/80/25/34/1130802534.db2.gz RAMKKUIOIBBYGP-TYJAPOHBSA-N 1 2 345.443 3.764 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000731488826 1130802540 /nfs/dbraw/zinc/80/25/40/1130802540.db2.gz RAMKKUIOIBBYGP-TYJAPOHBSA-N 1 2 345.443 3.764 20 30 EHEDLO COc1cc(CO[NH+]=C(N)c2ccc(F)c(C)c2)ccc1SC ZINC000731663881 1130826337 /nfs/dbraw/zinc/82/63/37/1130826337.db2.gz FWSZUWHKSMTHMC-UHFFFAOYSA-N 1 2 334.416 3.702 20 30 EHEDLO CC(C)c1cnc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)o1 ZINC000733309384 1131021242 /nfs/dbraw/zinc/02/12/42/1131021242.db2.gz MHLSKILQXMUSIN-UHFFFAOYSA-N 1 2 325.412 3.713 20 30 EHEDLO CC(=[NH+]Nc1cc(F)c(F)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000734302870 1131217721 /nfs/dbraw/zinc/21/77/21/1131217721.db2.gz SRMSUAFMVDQUPN-UHFFFAOYSA-N 1 2 349.356 3.777 20 30 EHEDLO FC(F)COc1ccc(C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000741809249 1131650087 /nfs/dbraw/zinc/65/00/87/1131650087.db2.gz BTTCIVLEGUPOPP-UHFFFAOYSA-N 1 2 327.334 3.747 20 30 EHEDLO CC1(C)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000741804842 1131652294 /nfs/dbraw/zinc/65/22/94/1131652294.db2.gz MMSDNDZEIFBIKR-AWEZNQCLSA-N 1 2 341.480 3.985 20 30 EHEDLO CC1(C)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000741804842 1131652297 /nfs/dbraw/zinc/65/22/97/1131652297.db2.gz MMSDNDZEIFBIKR-AWEZNQCLSA-N 1 2 341.480 3.985 20 30 EHEDLO CC[C@@](C)(C#N)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172531855 1131756140 /nfs/dbraw/zinc/75/61/40/1131756140.db2.gz VHDKUIHBZNORLQ-HUUJSLGLSA-N 1 2 339.483 3.599 20 30 EHEDLO C=CC[C@@](C)([NH2+][C@@H](C)Cc1ccc(OC(F)(F)F)cc1)C(=O)OC ZINC001173088408 1131949987 /nfs/dbraw/zinc/94/99/87/1131949987.db2.gz AEODOYNOBGFBFM-BLLLJJGKSA-N 1 2 345.361 3.614 20 30 EHEDLO C#CC[N@@H+](CC)Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000746456917 1132541775 /nfs/dbraw/zinc/54/17/75/1132541775.db2.gz RWZHSLLVUKFDLF-UHFFFAOYSA-N 1 2 330.453 3.673 20 30 EHEDLO C#CC[N@H+](CC)Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000746456917 1132541776 /nfs/dbraw/zinc/54/17/76/1132541776.db2.gz RWZHSLLVUKFDLF-UHFFFAOYSA-N 1 2 330.453 3.673 20 30 EHEDLO C=CCc1cc(C)c[nH+]c1N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001168892909 1132590293 /nfs/dbraw/zinc/59/02/93/1132590293.db2.gz NJIUIJMGXGGIPY-LJQANCHMSA-N 1 2 335.451 3.835 20 30 EHEDLO C=CCCCCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001168894708 1132590451 /nfs/dbraw/zinc/59/04/51/1132590451.db2.gz VGGNLNHOQLYSSQ-MRXNPFEDSA-N 1 2 340.389 3.925 20 30 EHEDLO C=CCCCCC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001168894708 1132590454 /nfs/dbraw/zinc/59/04/54/1132590454.db2.gz VGGNLNHOQLYSSQ-MRXNPFEDSA-N 1 2 340.389 3.925 20 30 EHEDLO NC(=[NH+]OCc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 ZINC000766683878 1132743130 /nfs/dbraw/zinc/74/31/30/1132743130.db2.gz HRLHHVULJVHGAQ-UHFFFAOYSA-N 1 2 327.384 3.786 20 30 EHEDLO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169758928 1132849056 /nfs/dbraw/zinc/84/90/56/1132849056.db2.gz HOEKIALTANVGPC-NRFANRHFSA-N 1 2 347.462 3.707 20 30 EHEDLO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169758928 1132849063 /nfs/dbraw/zinc/84/90/63/1132849063.db2.gz HOEKIALTANVGPC-NRFANRHFSA-N 1 2 347.462 3.707 20 30 EHEDLO C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177996397 1133122257 /nfs/dbraw/zinc/12/22/57/1133122257.db2.gz FFPVSVKYPSSLKA-UHFFFAOYSA-N 1 2 345.906 3.863 20 30 EHEDLO Cc1[nH+]cc(CN=Nc2cc(C#N)cc(Cl)n2)n1-c1ccccc1 ZINC000768382743 1133134850 /nfs/dbraw/zinc/13/48/50/1133134850.db2.gz YWAMGKQMUHOHGW-UHFFFAOYSA-N 1 2 336.786 3.547 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000768919639 1133202721 /nfs/dbraw/zinc/20/27/21/1133202721.db2.gz VHVNZJGBJIZSCV-QGZVFWFLSA-N 1 2 346.434 3.795 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)cc1 ZINC000768919639 1133202726 /nfs/dbraw/zinc/20/27/26/1133202726.db2.gz VHVNZJGBJIZSCV-QGZVFWFLSA-N 1 2 346.434 3.795 20 30 EHEDLO Cc1cccc(C)c1N=C1NC(=O)/C(=C\c2cccc3[nH+]ccn32)S1 ZINC000769601960 1133321232 /nfs/dbraw/zinc/32/12/32/1133321232.db2.gz KZYCYXQFDPVYFA-RVDMUPIBSA-N 1 2 348.431 3.843 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCCC(C)(C)[C@H]2C#N)CC1 ZINC000769892046 1133363753 /nfs/dbraw/zinc/36/37/53/1133363753.db2.gz GFCQYFHAVGITSL-MRXNPFEDSA-N 1 2 335.492 3.648 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCCC(C)(C)[C@H]2C#N)CC1 ZINC000769892046 1133363758 /nfs/dbraw/zinc/36/37/58/1133363758.db2.gz GFCQYFHAVGITSL-MRXNPFEDSA-N 1 2 335.492 3.648 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3nccc4ccccc43)CCO2)c1 ZINC000770391083 1133421190 /nfs/dbraw/zinc/42/11/90/1133421190.db2.gz NPSWUJVNMCNUPM-OAQYLSRUSA-N 1 2 329.403 3.680 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3nccc4ccccc43)CCO2)c1 ZINC000770391083 1133421193 /nfs/dbraw/zinc/42/11/93/1133421193.db2.gz NPSWUJVNMCNUPM-OAQYLSRUSA-N 1 2 329.403 3.680 20 30 EHEDLO C[NH+](C)[C@H](C(=O)OCc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000772254529 1133666515 /nfs/dbraw/zinc/66/65/15/1133666515.db2.gz IYYFIEJYNGKHCK-KRWDZBQOSA-N 1 2 328.799 3.558 20 30 EHEDLO CC[C@H](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838350 1133862898 /nfs/dbraw/zinc/86/28/98/1133862898.db2.gz FVNCYBJDECWQBA-SQGPQFPESA-N 1 2 341.499 3.854 20 30 EHEDLO CC[C@H](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838350 1133862907 /nfs/dbraw/zinc/86/29/07/1133862907.db2.gz FVNCYBJDECWQBA-SQGPQFPESA-N 1 2 341.499 3.854 20 30 EHEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788241447 1134099443 /nfs/dbraw/zinc/09/94/43/1134099443.db2.gz GTXDHBQBDHCGFD-QGZVFWFLSA-N 1 2 348.450 3.616 20 30 EHEDLO N#Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788241447 1134099448 /nfs/dbraw/zinc/09/94/48/1134099448.db2.gz GTXDHBQBDHCGFD-QGZVFWFLSA-N 1 2 348.450 3.616 20 30 EHEDLO Cc1[nH+]cc(CN=Nc2cccc(F)c2[N+](=O)[O-])n1-c1ccccc1 ZINC000790310294 1134401281 /nfs/dbraw/zinc/40/12/81/1134401281.db2.gz COTOKZPVFKCBIA-UHFFFAOYSA-N 1 2 339.330 3.674 20 30 EHEDLO CCCCCCCCNC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001191068094 1134785277 /nfs/dbraw/zinc/78/52/77/1134785277.db2.gz GJYRNMZLDVMABY-SFHVURJKSA-N 1 2 333.476 3.995 20 30 EHEDLO CCCCCCCCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001191076696 1134789364 /nfs/dbraw/zinc/78/93/64/1134789364.db2.gz KHMAYIZYLVDKGE-KRWDZBQOSA-N 1 2 332.492 3.710 20 30 EHEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(C)o1 ZINC000793247426 1134888783 /nfs/dbraw/zinc/88/87/83/1134888783.db2.gz ODBTXSJEQGAUQJ-LJQANCHMSA-N 1 2 343.858 3.932 20 30 EHEDLO CC[C@@H]1CC([NH+]2CC(C)(C#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170485725 1135304083 /nfs/dbraw/zinc/30/40/83/1135304083.db2.gz YCVXWNPWHPRTCO-HUUCEWRRSA-N 1 2 335.492 3.789 20 30 EHEDLO COCC#CC[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC001196237304 1135539121 /nfs/dbraw/zinc/53/91/21/1135539121.db2.gz MBMJSBRHTQLDGB-GOSISDBHSA-N 1 2 331.868 3.999 20 30 EHEDLO COCC#CC[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC001196237304 1135539124 /nfs/dbraw/zinc/53/91/24/1135539124.db2.gz MBMJSBRHTQLDGB-GOSISDBHSA-N 1 2 331.868 3.999 20 30 EHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001196769762 1135612661 /nfs/dbraw/zinc/61/26/61/1135612661.db2.gz AVWJRJKZCVGQBA-GDBMZVCRSA-N 1 2 348.874 3.679 20 30 EHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC#Cc1ccccc1Cl ZINC001196769762 1135612663 /nfs/dbraw/zinc/61/26/63/1135612663.db2.gz AVWJRJKZCVGQBA-GDBMZVCRSA-N 1 2 348.874 3.679 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000775801396 1135753650 /nfs/dbraw/zinc/75/36/50/1135753650.db2.gz XSBNQDDIWPDACN-IAGOWNOFSA-N 1 2 346.883 3.658 20 30 EHEDLO N#CC1(c2ccc(CNc3ccc([NH+]4CCC(O)CC4)cc3)cc2)CC1 ZINC000850049444 1136203100 /nfs/dbraw/zinc/20/31/00/1136203100.db2.gz DHBIKIPIWPGHNI-UHFFFAOYSA-N 1 2 347.462 3.815 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2)c1ccc(F)cc1 ZINC000812792832 1136251641 /nfs/dbraw/zinc/25/16/41/1136251641.db2.gz ITDVIEGZHYAYMT-YJYMSZOUSA-N 1 2 325.383 3.622 20 30 EHEDLO C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000851207936 1136351463 /nfs/dbraw/zinc/35/14/63/1136351463.db2.gz KAKBGHPSBZKYIZ-YOEHRIQHSA-N 1 2 332.419 3.662 20 30 EHEDLO C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000851207936 1136351467 /nfs/dbraw/zinc/35/14/67/1136351467.db2.gz KAKBGHPSBZKYIZ-YOEHRIQHSA-N 1 2 332.419 3.662 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cc([N+](=O)[O-])ccc3F)n2c1 ZINC000814191445 1136416053 /nfs/dbraw/zinc/41/60/53/1136416053.db2.gz PZOYMCIXSWHGII-XQRVVYSFSA-N 1 2 325.299 3.586 20 30 EHEDLO C#Cc1cccnc1N1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000853094194 1136508547 /nfs/dbraw/zinc/50/85/47/1136508547.db2.gz SLUUBAVTBQKLFX-HNNXBMFYSA-N 1 2 348.475 3.556 20 30 EHEDLO CC(=[NH+]Nc1cnnn1C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000814979135 1136534751 /nfs/dbraw/zinc/53/47/51/1136534751.db2.gz BFVATUYJRSFUNJ-UHFFFAOYSA-N 1 2 336.424 3.859 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cc(COC(C)(C)C)on1 ZINC000853486302 1136536960 /nfs/dbraw/zinc/53/69/60/1136536960.db2.gz UNDBYUZURLBKEZ-UHFFFAOYSA-N 1 2 343.427 3.789 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncn(-c2ccccc2OC)c1=S ZINC000853598221 1136547521 /nfs/dbraw/zinc/54/75/21/1136547521.db2.gz PHFVUMBRLZTCBI-GASCZTMLSA-N 1 2 342.468 3.552 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncn(-c2ccccc2OC)c1=S ZINC000853598221 1136547522 /nfs/dbraw/zinc/54/75/22/1136547522.db2.gz PHFVUMBRLZTCBI-GASCZTMLSA-N 1 2 342.468 3.552 20 30 EHEDLO C#CCCCOc1cccnc1N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000820645765 1137001234 /nfs/dbraw/zinc/00/12/34/1137001234.db2.gz ZWZYZRLQSAYOFB-UHFFFAOYSA-N 1 2 339.439 3.531 20 30 EHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(-c3ccccc3)nc2)cc1 ZINC001170985209 1137055785 /nfs/dbraw/zinc/05/57/85/1137055785.db2.gz NCKDHLGLAPDARY-UHFFFAOYSA-N 1 2 331.375 3.572 20 30 EHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2Cc3ccc(Cl)cc3C2)cc1 ZINC001171017680 1137099623 /nfs/dbraw/zinc/09/96/23/1137099623.db2.gz GUZAYXXJERCGCJ-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2Cc3ccc(Cl)cc3C2)cc1 ZINC001171017680 1137099624 /nfs/dbraw/zinc/09/96/24/1137099624.db2.gz GUZAYXXJERCGCJ-UHFFFAOYSA-N 1 2 325.799 3.556 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(F)cc(Cl)c2)c1 ZINC000777220545 1137122552 /nfs/dbraw/zinc/12/25/52/1137122552.db2.gz FTIZMDFQAMNVSU-UHFFFAOYSA-N 1 2 330.790 3.531 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(F)cc(Cl)c2)c1 ZINC000777220545 1137122554 /nfs/dbraw/zinc/12/25/54/1137122554.db2.gz FTIZMDFQAMNVSU-UHFFFAOYSA-N 1 2 330.790 3.531 20 30 EHEDLO CC(C)(C)CC(=O)NC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143732545 1137193344 /nfs/dbraw/zinc/19/33/44/1137193344.db2.gz RNGPLLGFEOURJT-UHFFFAOYSA-N 1 2 347.890 3.728 20 30 EHEDLO Cc1cccc(O[C@@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143731929 1137194908 /nfs/dbraw/zinc/19/49/08/1137194908.db2.gz IICOKOLRPSRLSB-OAHLLOKOSA-N 1 2 327.815 3.568 20 30 EHEDLO Cc1cccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143731929 1137194909 /nfs/dbraw/zinc/19/49/09/1137194909.db2.gz IICOKOLRPSRLSB-OAHLLOKOSA-N 1 2 327.815 3.568 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2c[nH]c3cc(F)ccc32)s1 ZINC000794707821 1137239998 /nfs/dbraw/zinc/23/99/98/1137239998.db2.gz NIHXDDWFJIUJJI-WAYWQWQTSA-N 1 2 329.400 3.721 20 30 EHEDLO O=C1c2ccc(F)cc2OC/C1=C\c1cc(-n2cc[nH+]c2)cs1 ZINC000794727208 1137241610 /nfs/dbraw/zinc/24/16/10/1137241610.db2.gz GMAZRWGCERQQCP-VZUCSPMQSA-N 1 2 326.352 3.732 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)CCC(=O)N2 ZINC000866238711 1137337779 /nfs/dbraw/zinc/33/77/79/1137337779.db2.gz RGGHAYWZGBQVAO-CHWSQXEVSA-N 1 2 335.407 3.560 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)CCC(=O)N2 ZINC000866238713 1137337967 /nfs/dbraw/zinc/33/79/67/1137337967.db2.gz RGGHAYWZGBQVAO-OLZOCXBDSA-N 1 2 335.407 3.560 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000847032883 1137383667 /nfs/dbraw/zinc/38/36/67/1137383667.db2.gz VSLORPCSOZYSAT-NWDGAFQWSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000847032883 1137383669 /nfs/dbraw/zinc/38/36/69/1137383669.db2.gz VSLORPCSOZYSAT-NWDGAFQWSA-N 1 2 325.239 3.666 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000876739437 1137660105 /nfs/dbraw/zinc/66/01/05/1137660105.db2.gz GCUCCSDAEKQBFR-INIZCTEOSA-N 1 2 329.856 3.897 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000876739437 1137660106 /nfs/dbraw/zinc/66/01/06/1137660106.db2.gz GCUCCSDAEKQBFR-INIZCTEOSA-N 1 2 329.856 3.897 20 30 EHEDLO COc1ccc(Nc2ccc3[nH+]cc(Br)n3c2)c(C#N)c1 ZINC001212780650 1137675186 /nfs/dbraw/zinc/67/51/86/1137675186.db2.gz AOKOOBYURZDNQF-UHFFFAOYSA-N 1 2 343.184 3.721 20 30 EHEDLO C=CC(C)(C)CC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000879024259 1137735653 /nfs/dbraw/zinc/73/56/53/1137735653.db2.gz KEUKGAGNMBGBGO-UHFFFAOYSA-N 1 2 329.488 3.749 20 30 EHEDLO C=CCCC[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000879297004 1137743750 /nfs/dbraw/zinc/74/37/50/1137743750.db2.gz GBTHYHSSNQOVHX-OALUTQOASA-N 1 2 337.467 3.876 20 30 EHEDLO COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000883330748 1137855568 /nfs/dbraw/zinc/85/55/68/1137855568.db2.gz KVVUQHHTMGVVBU-GUYCJALGSA-N 1 2 338.407 3.837 20 30 EHEDLO N#Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000107325497 1137886449 /nfs/dbraw/zinc/88/64/49/1137886449.db2.gz RTSMTHCDWIGZDS-UHFFFAOYSA-N 1 2 349.438 3.655 20 30 EHEDLO Cc1cccnc1[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000072637684 1138106602 /nfs/dbraw/zinc/10/66/02/1138106602.db2.gz ZZBGUIWOJLUOQI-SFHVURJKSA-N 1 2 347.422 3.799 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]([C@H](C)c2ccco2)C2CC2)c(C#N)c1C ZINC000086235721 1138186310 /nfs/dbraw/zinc/18/63/10/1138186310.db2.gz UMHICVUKQDEFEU-GFCCVEGCSA-N 1 2 343.452 3.994 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]([C@H](C)c2ccco2)C2CC2)c(C#N)c1C ZINC000086235721 1138186314 /nfs/dbraw/zinc/18/63/14/1138186314.db2.gz UMHICVUKQDEFEU-GFCCVEGCSA-N 1 2 343.452 3.994 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000337254054 1138509937 /nfs/dbraw/zinc/50/99/37/1138509937.db2.gz QHNQINXUMFJKSP-KBPBESRZSA-N 1 2 336.505 3.851 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000337254054 1138509939 /nfs/dbraw/zinc/50/99/39/1138509939.db2.gz QHNQINXUMFJKSP-KBPBESRZSA-N 1 2 336.505 3.851 20 30 EHEDLO C=C1CCC(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CC1 ZINC000889086401 1139165101 /nfs/dbraw/zinc/16/51/01/1139165101.db2.gz BLWHJGNAAVAQEU-UHFFFAOYSA-N 1 2 328.456 3.512 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000173904348 1139386573 /nfs/dbraw/zinc/38/65/73/1139386573.db2.gz FXACRIDBMNFCOB-HUUCEWRRSA-N 1 2 332.407 3.944 20 30 EHEDLO CC[C@@](C)([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1nccs1 ZINC000177267647 1139608858 /nfs/dbraw/zinc/60/88/58/1139608858.db2.gz FNLUNPFNIQPUDE-MRXNPFEDSA-N 1 2 348.497 3.547 20 30 EHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000185226887 1140140727 /nfs/dbraw/zinc/14/07/27/1140140727.db2.gz PAHVJIDBRFKCES-AWEZNQCLSA-N 1 2 340.452 3.530 20 30 EHEDLO Cc1cc(C)c2ncc(C#N)c(NCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000266435700 1140686714 /nfs/dbraw/zinc/68/67/14/1140686714.db2.gz UZKTYUJQHHGMMK-UHFFFAOYSA-N 1 2 331.423 3.868 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc2ccc(C#N)cn12 ZINC000348879092 1141602480 /nfs/dbraw/zinc/60/24/80/1141602480.db2.gz SBHORLLFSAAKPV-UHFFFAOYSA-N 1 2 348.454 3.562 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc2ccc(C#N)cn12 ZINC000348879092 1141602482 /nfs/dbraw/zinc/60/24/82/1141602482.db2.gz SBHORLLFSAAKPV-UHFFFAOYSA-N 1 2 348.454 3.562 20 30 EHEDLO COc1ccc([C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)c2nccn2C)cc1 ZINC000181452312 1016690232 /nfs/dbraw/zinc/69/02/32/1016690232.db2.gz YAHHHSAXAAHVAZ-MGPUTAFESA-N 1 2 346.434 3.741 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1Cl ZINC000459683817 1032383475 /nfs/dbraw/zinc/38/34/75/1032383475.db2.gz UJRUYWBDHCURHK-UHFFFAOYSA-N 1 2 334.851 3.610 20 30 EHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000538468260 1032391361 /nfs/dbraw/zinc/39/13/61/1032391361.db2.gz WHAJQWTUNVYBBZ-SFHVURJKSA-N 1 2 328.456 3.565 20 30 EHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000538468260 1032391376 /nfs/dbraw/zinc/39/13/76/1032391376.db2.gz WHAJQWTUNVYBBZ-SFHVURJKSA-N 1 2 328.456 3.565 20 30 EHEDLO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602007038 1032591847 /nfs/dbraw/zinc/59/18/47/1032591847.db2.gz LXTYIHQPKKGKSW-AWEZNQCLSA-N 1 2 339.414 3.972 20 30 EHEDLO CC(C)C[C@@H](C(=O)Nc1cc(C#N)ccc1OC(C)C)n1cc[nH+]c1 ZINC000602083637 1032620089 /nfs/dbraw/zinc/62/00/89/1032620089.db2.gz OPVGGBBMPCNROW-KRWDZBQOSA-N 1 2 340.427 3.768 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@@H]2CCCc3ccccc32)c1=S ZINC000023611862 1017171330 /nfs/dbraw/zinc/17/13/30/1017171330.db2.gz DAENTVLCBHSPAU-QGZVFWFLSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+](C)[C@@H]2CCCc3ccccc32)c1=S ZINC000023611862 1017171336 /nfs/dbraw/zinc/17/13/36/1017171336.db2.gz DAENTVLCBHSPAU-QGZVFWFLSA-N 1 2 328.485 3.875 20 30 EHEDLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000375614294 1017540390 /nfs/dbraw/zinc/54/03/90/1017540390.db2.gz UXMWQFUYURIWFW-AWEZNQCLSA-N 1 2 347.422 3.525 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2ccc(Cl)cn12 ZINC000348643193 1018622926 /nfs/dbraw/zinc/62/29/26/1018622926.db2.gz LNVKOIUNOUYPNU-UHFFFAOYSA-N 1 2 345.830 3.651 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2ccc(Cl)cn12 ZINC000348643193 1018622935 /nfs/dbraw/zinc/62/29/35/1018622935.db2.gz LNVKOIUNOUYPNU-UHFFFAOYSA-N 1 2 345.830 3.651 20 30 EHEDLO Cc1cccc2[nH]c(C[N@@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)cc21 ZINC000897596938 1032890140 /nfs/dbraw/zinc/89/01/40/1032890140.db2.gz XFNKJHXSYRTRNF-NRFANRHFSA-N 1 2 331.419 3.922 20 30 EHEDLO Cc1cccc2[nH]c(C[N@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)cc21 ZINC000897596938 1032890156 /nfs/dbraw/zinc/89/01/56/1032890156.db2.gz XFNKJHXSYRTRNF-NRFANRHFSA-N 1 2 331.419 3.922 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1c(Cl)nc2sccn21 ZINC000255322923 1021091738 /nfs/dbraw/zinc/09/17/38/1021091738.db2.gz VZJMYVVLULZTDW-PLNGDYQASA-N 1 2 328.784 3.593 20 30 EHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000518560170 1021317852 /nfs/dbraw/zinc/31/78/52/1021317852.db2.gz SPMCTVKFROSRGG-GOSISDBHSA-N 1 2 333.435 3.732 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Cl ZINC000439426487 1021423277 /nfs/dbraw/zinc/42/32/77/1021423277.db2.gz VVMLMIXXMDKQKN-UHFFFAOYSA-N 1 2 339.826 3.732 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Cl ZINC000439426487 1021423284 /nfs/dbraw/zinc/42/32/84/1021423284.db2.gz VVMLMIXXMDKQKN-UHFFFAOYSA-N 1 2 339.826 3.732 20 30 EHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000437001870 1021457048 /nfs/dbraw/zinc/45/70/48/1021457048.db2.gz FEVUAAYRMIFXCP-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO NC(=[NH+]OCc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC000048609777 1021496631 /nfs/dbraw/zinc/49/66/31/1021496631.db2.gz JUURZXVDFHSQFK-UHFFFAOYSA-N 1 2 341.155 3.564 20 30 EHEDLO COC(=O)c1cc(C[N@H+](C)CC#Cc2ccccc2Cl)oc1C ZINC000441158880 1022023710 /nfs/dbraw/zinc/02/37/10/1022023710.db2.gz QYNRBQSKMAOMLK-UHFFFAOYSA-N 1 2 331.799 3.512 20 30 EHEDLO COC(=O)c1cc(C[N@@H+](C)CC#Cc2ccccc2Cl)oc1C ZINC000441158880 1022023726 /nfs/dbraw/zinc/02/37/26/1022023726.db2.gz QYNRBQSKMAOMLK-UHFFFAOYSA-N 1 2 331.799 3.512 20 30 EHEDLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897632271 1033027875 /nfs/dbraw/zinc/02/78/75/1033027875.db2.gz ISTPJGMKOANBEB-ZDUSSCGKSA-N 1 2 346.475 3.926 20 30 EHEDLO Cc1nc2sccn2c1C[N@H+](C)CC#Cc1ccccc1Cl ZINC000441268406 1022114554 /nfs/dbraw/zinc/11/45/54/1022114554.db2.gz QIPGQEYEMBQHFF-UHFFFAOYSA-N 1 2 329.856 3.841 20 30 EHEDLO Cc1nc2sccn2c1C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441268406 1022114561 /nfs/dbraw/zinc/11/45/61/1022114561.db2.gz QIPGQEYEMBQHFF-UHFFFAOYSA-N 1 2 329.856 3.841 20 30 EHEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000328866301 1022521776 /nfs/dbraw/zinc/52/17/76/1022521776.db2.gz NTEASNMOGINWIR-NSHDSACASA-N 1 2 347.381 3.773 20 30 EHEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000328866301 1022521787 /nfs/dbraw/zinc/52/17/87/1022521787.db2.gz NTEASNMOGINWIR-NSHDSACASA-N 1 2 347.381 3.773 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000330428239 1022584044 /nfs/dbraw/zinc/58/40/44/1022584044.db2.gz KXYYNQCVMMZJRT-FUHWJXTLSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000330428239 1022584056 /nfs/dbraw/zinc/58/40/56/1022584056.db2.gz KXYYNQCVMMZJRT-FUHWJXTLSA-N 1 2 333.863 3.531 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000331356973 1022800734 /nfs/dbraw/zinc/80/07/34/1022800734.db2.gz SPMPNHOSWGYBCE-OUJBWJOFSA-N 1 2 326.227 3.602 20 30 EHEDLO N#CC1(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCC1 ZINC000598315248 1033095127 /nfs/dbraw/zinc/09/51/27/1033095127.db2.gz LXCYTTTUKFMSNJ-QGZVFWFLSA-N 1 2 336.439 3.522 20 30 EHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)N[C@H](C#N)Cc2ccccc2)c(C)c1 ZINC000610998807 1024019996 /nfs/dbraw/zinc/01/99/96/1024019996.db2.gz DWCVQEOINOIZIJ-UNMCSNQZSA-N 1 2 344.462 3.966 20 30 EHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N(C)Cc1ccc(C#N)cc1 ZINC000065227195 1024035541 /nfs/dbraw/zinc/03/55/41/1024035541.db2.gz LSIQXIKSRSZTHA-UHFFFAOYSA-N 1 2 345.402 3.920 20 30 EHEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc2O1 ZINC000329678921 1024042046 /nfs/dbraw/zinc/04/20/46/1024042046.db2.gz XGDCAPFYPFTLLM-UHFFFAOYSA-N 1 2 341.455 3.843 20 30 EHEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc2O1 ZINC000329678921 1024042065 /nfs/dbraw/zinc/04/20/65/1024042065.db2.gz XGDCAPFYPFTLLM-UHFFFAOYSA-N 1 2 341.455 3.843 20 30 EHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000329739038 1024167193 /nfs/dbraw/zinc/16/71/93/1024167193.db2.gz UROPWTSOZZGZRP-QGTPRVQTSA-N 1 2 339.439 3.689 20 30 EHEDLO Cc1ccccc1[C@H]1C[C@H]([NH+]=C([O-])N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000329820725 1024210032 /nfs/dbraw/zinc/21/00/32/1024210032.db2.gz YISVZWAVMUDLBN-BRWVUGGUSA-N 1 2 338.455 3.758 20 30 EHEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1C ZINC000330128357 1024329027 /nfs/dbraw/zinc/32/90/27/1024329027.db2.gz NNJJWLQAOJLFFM-RIFZZMRRSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1C ZINC000330128357 1024329044 /nfs/dbraw/zinc/32/90/44/1024329044.db2.gz NNJJWLQAOJLFFM-RIFZZMRRSA-N 1 2 346.471 3.550 20 30 EHEDLO N#CCC1C[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(F)cn32)C1 ZINC000895345006 1024343787 /nfs/dbraw/zinc/34/37/87/1024343787.db2.gz WVUQEMDRBNLEBV-UHFFFAOYSA-N 1 2 338.361 3.625 20 30 EHEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000434982092 1024526927 /nfs/dbraw/zinc/52/69/27/1024526927.db2.gz NIHHGXVENUNSBG-UXPWSPDFSA-N 1 2 335.451 3.785 20 30 EHEDLO C=CCCCCCN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000514639071 1024627010 /nfs/dbraw/zinc/62/70/10/1024627010.db2.gz JUWHXKWQJYIUJN-UHFFFAOYSA-N 1 2 325.456 3.679 20 30 EHEDLO Cc1ccccc1-n1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)nn1 ZINC000425363298 1024860707 /nfs/dbraw/zinc/86/07/07/1024860707.db2.gz BFTCXSMAIMOVKD-INIZCTEOSA-N 1 2 331.423 3.640 20 30 EHEDLO Cc1ccccc1-n1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)nn1 ZINC000425363298 1024860723 /nfs/dbraw/zinc/86/07/23/1024860723.db2.gz BFTCXSMAIMOVKD-INIZCTEOSA-N 1 2 331.423 3.640 20 30 EHEDLO CC(C)Cc1noc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000346772997 1025109722 /nfs/dbraw/zinc/10/97/22/1025109722.db2.gz BYOWXFIAJLUNQN-UHFFFAOYSA-N 1 2 326.444 3.798 20 30 EHEDLO CC(C)Cc1noc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000346772997 1025109730 /nfs/dbraw/zinc/10/97/30/1025109730.db2.gz BYOWXFIAJLUNQN-UHFFFAOYSA-N 1 2 326.444 3.798 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cccs1 ZINC000019540513 1025175461 /nfs/dbraw/zinc/17/54/61/1025175461.db2.gz QBWRFPDZQWYSMG-LJQANCHMSA-N 1 2 340.492 3.930 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cccs1 ZINC000019540513 1025175473 /nfs/dbraw/zinc/17/54/73/1025175473.db2.gz QBWRFPDZQWYSMG-LJQANCHMSA-N 1 2 340.492 3.930 20 30 EHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000521187264 1025261752 /nfs/dbraw/zinc/26/17/52/1025261752.db2.gz GSDKMHAIAIXSBC-AWEZNQCLSA-N 1 2 341.842 3.521 20 30 EHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000521187264 1025261760 /nfs/dbraw/zinc/26/17/60/1025261760.db2.gz GSDKMHAIAIXSBC-AWEZNQCLSA-N 1 2 341.842 3.521 20 30 EHEDLO C[N@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979345 1033283934 /nfs/dbraw/zinc/28/39/34/1033283934.db2.gz CDXQSFXXVBUJDG-VQIMIIECSA-N 1 2 339.414 3.924 20 30 EHEDLO C[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979345 1033283942 /nfs/dbraw/zinc/28/39/42/1033283942.db2.gz CDXQSFXXVBUJDG-VQIMIIECSA-N 1 2 339.414 3.924 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000602992790 1033290948 /nfs/dbraw/zinc/29/09/48/1033290948.db2.gz GENYNELJKILQEK-AWEZNQCLSA-N 1 2 349.475 3.843 20 30 EHEDLO CC1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCCCC1 ZINC000329290967 1025728076 /nfs/dbraw/zinc/72/80/76/1025728076.db2.gz QTDXTNBZXWPQPH-UHFFFAOYSA-N 1 2 332.492 3.626 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC[C@@H](F)C3)n2)C1 ZINC000329365374 1025784240 /nfs/dbraw/zinc/78/42/40/1025784240.db2.gz JXXXWVPJAVCODB-JHJVBQTASA-N 1 2 340.468 3.592 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC[C@@H](F)C3)n2)C1 ZINC000329365374 1025784254 /nfs/dbraw/zinc/78/42/54/1025784254.db2.gz JXXXWVPJAVCODB-JHJVBQTASA-N 1 2 340.468 3.592 20 30 EHEDLO COc1ccc2c(c1)CCCC[N@H+]2CCCC1(C#N)CCOCC1 ZINC000281975070 1025830662 /nfs/dbraw/zinc/83/06/62/1025830662.db2.gz LLGNACJCNDCFAK-UHFFFAOYSA-N 1 2 328.456 3.938 20 30 EHEDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000281975070 1025830681 /nfs/dbraw/zinc/83/06/81/1025830681.db2.gz LLGNACJCNDCFAK-UHFFFAOYSA-N 1 2 328.456 3.938 20 30 EHEDLO FC(F)(F)CO[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000530699251 1026225890 /nfs/dbraw/zinc/22/58/90/1026225890.db2.gz JINPHMADIBDIAD-HNNXBMFYSA-N 1 2 331.765 3.735 20 30 EHEDLO FC(F)(F)CO[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000530699251 1026225903 /nfs/dbraw/zinc/22/59/03/1026225903.db2.gz JINPHMADIBDIAD-HNNXBMFYSA-N 1 2 331.765 3.735 20 30 EHEDLO C=CCCn1cc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)nn1 ZINC000657428603 1026258630 /nfs/dbraw/zinc/25/86/30/1026258630.db2.gz MVNHEHGPCWIMBH-INIZCTEOSA-N 1 2 332.835 3.511 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000563367948 1026378139 /nfs/dbraw/zinc/37/81/39/1026378139.db2.gz YAYDPEGKIKQGOL-KRWDZBQOSA-N 1 2 342.464 3.610 20 30 EHEDLO Cc1nnc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)s1 ZINC000025790653 1027037841 /nfs/dbraw/zinc/03/78/41/1027037841.db2.gz ZOABDKVGIQUVCD-ZDUSSCGKSA-N 1 2 344.484 3.778 20 30 EHEDLO N#Cc1cccc(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c1F ZINC000347334088 1027753504 /nfs/dbraw/zinc/75/35/04/1027753504.db2.gz MFDIBLJNZNWTET-PBHICJAKSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1cccc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c1F ZINC000347334088 1027753523 /nfs/dbraw/zinc/75/35/23/1027753523.db2.gz MFDIBLJNZNWTET-PBHICJAKSA-N 1 2 342.439 3.698 20 30 EHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868670 1027769464 /nfs/dbraw/zinc/76/94/64/1027769464.db2.gz OTJCYMXFPMYUTB-LBPRGKRZSA-N 1 2 345.805 3.810 20 30 EHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868670 1027769480 /nfs/dbraw/zinc/76/94/80/1027769480.db2.gz OTJCYMXFPMYUTB-LBPRGKRZSA-N 1 2 345.805 3.810 20 30 EHEDLO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000347044233 1027793726 /nfs/dbraw/zinc/79/37/26/1027793726.db2.gz FAAARNMMAKOVRK-AWEZNQCLSA-N 1 2 325.275 3.648 20 30 EHEDLO CSC[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000347044233 1027793741 /nfs/dbraw/zinc/79/37/41/1027793741.db2.gz FAAARNMMAKOVRK-AWEZNQCLSA-N 1 2 325.275 3.648 20 30 EHEDLO C=CCCC1(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000475595901 1027818109 /nfs/dbraw/zinc/81/81/09/1027818109.db2.gz MYORIZOPOWZREE-MRXNPFEDSA-N 1 2 330.447 3.777 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954338 1027917764 /nfs/dbraw/zinc/91/77/64/1027917764.db2.gz ULPASZUOGHCYRQ-NSHDSACASA-N 1 2 327.306 3.631 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420954338 1027917780 /nfs/dbraw/zinc/91/77/80/1027917780.db2.gz ULPASZUOGHCYRQ-NSHDSACASA-N 1 2 327.306 3.631 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000459358563 1027929388 /nfs/dbraw/zinc/92/93/88/1027929388.db2.gz BELWHGBRWYFZHI-KRWDZBQOSA-N 1 2 336.395 3.543 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000459358563 1027929405 /nfs/dbraw/zinc/92/94/05/1027929405.db2.gz BELWHGBRWYFZHI-KRWDZBQOSA-N 1 2 336.395 3.543 20 30 EHEDLO CC(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000440470310 1028060282 /nfs/dbraw/zinc/06/02/82/1028060282.db2.gz XKVQQGPKIDOPFH-UHFFFAOYSA-N 1 2 346.381 3.705 20 30 EHEDLO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000440470310 1028060302 /nfs/dbraw/zinc/06/03/02/1028060302.db2.gz XKVQQGPKIDOPFH-UHFFFAOYSA-N 1 2 346.381 3.705 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000428377504 1028248842 /nfs/dbraw/zinc/24/88/42/1028248842.db2.gz GRXXRTLWFBKKCJ-UHFFFAOYSA-N 1 2 332.806 3.735 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000428377504 1028248845 /nfs/dbraw/zinc/24/88/45/1028248845.db2.gz GRXXRTLWFBKKCJ-UHFFFAOYSA-N 1 2 332.806 3.735 20 30 EHEDLO C[C@H](O[NH+]=C(N)c1ccccc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000021191788 1028265513 /nfs/dbraw/zinc/26/55/13/1028265513.db2.gz KOSGWSODOMBSQO-AWEZNQCLSA-N 1 2 339.439 3.648 20 30 EHEDLO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502542263 1028325407 /nfs/dbraw/zinc/32/54/07/1028325407.db2.gz YHFWNLZHNIOJHK-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502542263 1028325429 /nfs/dbraw/zinc/32/54/29/1028325429.db2.gz YHFWNLZHNIOJHK-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000342981459 1028513942 /nfs/dbraw/zinc/51/39/42/1028513942.db2.gz XOGWECGMTDMLDK-UHFFFAOYSA-N 1 2 346.415 3.659 20 30 EHEDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000503108155 1029071690 /nfs/dbraw/zinc/07/16/90/1029071690.db2.gz ZVNOVYMUONPLRA-FQEVSTJZSA-N 1 2 334.398 3.585 20 30 EHEDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000503108155 1029071704 /nfs/dbraw/zinc/07/17/04/1029071704.db2.gz ZVNOVYMUONPLRA-FQEVSTJZSA-N 1 2 334.398 3.585 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(-n2cccn2)c1 ZINC000162269317 1029520444 /nfs/dbraw/zinc/52/04/44/1029520444.db2.gz KHPRMQHVYNDKNE-UHFFFAOYSA-N 1 2 333.395 3.562 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361604799 1030218846 /nfs/dbraw/zinc/21/88/46/1030218846.db2.gz VMUILTLPGRKEOB-MRXNPFEDSA-N 1 2 340.492 3.975 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361604799 1030218864 /nfs/dbraw/zinc/21/88/64/1030218864.db2.gz VMUILTLPGRKEOB-MRXNPFEDSA-N 1 2 340.492 3.975 20 30 EHEDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000159783848 1030353896 /nfs/dbraw/zinc/35/38/96/1030353896.db2.gz AHITWWJJQSFTHZ-SFHVURJKSA-N 1 2 345.406 3.649 20 30 EHEDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000159783848 1030353911 /nfs/dbraw/zinc/35/39/11/1030353911.db2.gz AHITWWJJQSFTHZ-SFHVURJKSA-N 1 2 345.406 3.649 20 30 EHEDLO C=C1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000353320310 1030537189 /nfs/dbraw/zinc/53/71/89/1030537189.db2.gz KUQCTOZZKOOILD-UHFFFAOYSA-N 1 2 332.245 3.991 20 30 EHEDLO C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000049974334 1030631487 /nfs/dbraw/zinc/63/14/87/1030631487.db2.gz OFQQBJGVQHHZQX-YWZLYKJASA-N 1 2 345.402 3.857 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1OC ZINC000093841896 1030684250 /nfs/dbraw/zinc/68/42/50/1030684250.db2.gz MSIKENAJRISMRF-HXUWFJFHSA-N 1 2 343.423 3.817 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1OC ZINC000093841896 1030684264 /nfs/dbraw/zinc/68/42/64/1030684264.db2.gz MSIKENAJRISMRF-HXUWFJFHSA-N 1 2 343.423 3.817 20 30 EHEDLO COc1ccccc1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000448296258 1030909145 /nfs/dbraw/zinc/90/91/45/1030909145.db2.gz GMCKFRHJPMYAIV-UHFFFAOYSA-N 1 2 340.854 3.522 20 30 EHEDLO C[N@H+](CC#Cc1ccccc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000483950647 1031406003 /nfs/dbraw/zinc/40/60/03/1031406003.db2.gz DYWDBXJHQOOXSM-UHFFFAOYSA-N 1 2 345.345 3.500 20 30 EHEDLO C[N@@H+](CC#Cc1ccccc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000483950647 1031406010 /nfs/dbraw/zinc/40/60/10/1031406010.db2.gz DYWDBXJHQOOXSM-UHFFFAOYSA-N 1 2 345.345 3.500 20 30 EHEDLO C=C[C@@H](C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235217648 1031866487 /nfs/dbraw/zinc/86/64/87/1031866487.db2.gz TXCHUDKUVUHNHJ-SSDOTTSWSA-N 1 2 335.039 3.581 20 30 EHEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c1 ZINC000347347015 1031931107 /nfs/dbraw/zinc/93/11/07/1031931107.db2.gz QVJDXIIHUKNFRG-RDJZCZTQSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c1 ZINC000347347015 1031931121 /nfs/dbraw/zinc/93/11/21/1031931121.db2.gz QVJDXIIHUKNFRG-RDJZCZTQSA-N 1 2 342.439 3.698 20 30 EHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000134624633 1031956531 /nfs/dbraw/zinc/95/65/31/1031956531.db2.gz YOYFQXCRGCWXJV-DYVFJYSZSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000134624633 1031956552 /nfs/dbraw/zinc/95/65/52/1031956552.db2.gz YOYFQXCRGCWXJV-DYVFJYSZSA-N 1 2 347.434 3.575 20 30 EHEDLO C=CCC1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCCCC1 ZINC000450169597 1033840294 /nfs/dbraw/zinc/84/02/94/1033840294.db2.gz AGBAMNKSZDRZRO-UHFFFAOYSA-N 1 2 343.471 3.692 20 30 EHEDLO COc1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1C#N ZINC000174324123 1033894348 /nfs/dbraw/zinc/89/43/48/1033894348.db2.gz MGAFEOZSRMSLTE-GOSISDBHSA-N 1 2 335.432 3.903 20 30 EHEDLO Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@H](CC#N)C3)nc(N)c2c1C ZINC000595620720 1033902764 /nfs/dbraw/zinc/90/27/64/1033902764.db2.gz PETGCPOFFGBWRM-DGCLKSJQSA-N 1 2 329.473 3.577 20 30 EHEDLO Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@H](CC#N)C3)nc(N)c2c1C ZINC000595620720 1033902773 /nfs/dbraw/zinc/90/27/73/1033902773.db2.gz PETGCPOFFGBWRM-DGCLKSJQSA-N 1 2 329.473 3.577 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612400 1033925074 /nfs/dbraw/zinc/92/50/74/1033925074.db2.gz WEIPWWPJWMJQAO-STQMWFEESA-N 1 2 339.361 3.658 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612400 1033925081 /nfs/dbraw/zinc/92/50/81/1033925081.db2.gz WEIPWWPJWMJQAO-STQMWFEESA-N 1 2 339.361 3.658 20 30 EHEDLO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc(F)c(Br)cc1F ZINC000599542553 1033999100 /nfs/dbraw/zinc/99/91/00/1033999100.db2.gz WAZOFQZZDIGWCT-NXEZZACHSA-N 1 2 342.187 3.821 20 30 EHEDLO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686194 1034112704 /nfs/dbraw/zinc/11/27/04/1034112704.db2.gz NVRHMFQIFSCRJO-OAHLLOKOSA-N 1 2 344.418 3.922 20 30 EHEDLO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686194 1034112713 /nfs/dbraw/zinc/11/27/13/1034112713.db2.gz NVRHMFQIFSCRJO-OAHLLOKOSA-N 1 2 344.418 3.922 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000604493368 1034400582 /nfs/dbraw/zinc/40/05/82/1034400582.db2.gz VEIKSKNSSGZRDF-UHFFFAOYSA-N 1 2 331.416 3.610 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000604493368 1034400585 /nfs/dbraw/zinc/40/05/85/1034400585.db2.gz VEIKSKNSSGZRDF-UHFFFAOYSA-N 1 2 331.416 3.610 20 30 EHEDLO N#CC1(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCCC1 ZINC000596826788 1034417946 /nfs/dbraw/zinc/41/79/46/1034417946.db2.gz DZCNCACRNOYOEP-UHFFFAOYSA-N 1 2 340.471 3.552 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1OCCCC#N ZINC000612406109 1034897294 /nfs/dbraw/zinc/89/72/94/1034897294.db2.gz IKWCSKJLBAYFLE-LJQANCHMSA-N 1 2 327.428 3.503 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1OCCCC#N ZINC000612406109 1034897302 /nfs/dbraw/zinc/89/73/02/1034897302.db2.gz IKWCSKJLBAYFLE-LJQANCHMSA-N 1 2 327.428 3.503 20 30 EHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000612406178 1034898307 /nfs/dbraw/zinc/89/83/07/1034898307.db2.gz JKNMTNIBXWDQIM-SFHVURJKSA-N 1 2 325.368 3.980 20 30 EHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000612406178 1034898314 /nfs/dbraw/zinc/89/83/14/1034898314.db2.gz JKNMTNIBXWDQIM-SFHVURJKSA-N 1 2 325.368 3.980 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000365391380 1035064679 /nfs/dbraw/zinc/06/46/79/1035064679.db2.gz LYYVRRKBZVLRAH-IJDCCNJMSA-N 1 2 337.448 3.736 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000365391380 1035064685 /nfs/dbraw/zinc/06/46/85/1035064685.db2.gz LYYVRRKBZVLRAH-IJDCCNJMSA-N 1 2 337.448 3.736 20 30 EHEDLO Cc1cccc(C)c1-c1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414124189 1035627745 /nfs/dbraw/zinc/62/77/45/1035627745.db2.gz KGMJMLJQABZBCE-IBGZPJMESA-N 1 2 338.451 3.556 20 30 EHEDLO Cc1cccc(C)c1-c1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414124189 1035627762 /nfs/dbraw/zinc/62/77/62/1035627762.db2.gz KGMJMLJQABZBCE-IBGZPJMESA-N 1 2 338.451 3.556 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)c1 ZINC000535242012 1036226819 /nfs/dbraw/zinc/22/68/19/1036226819.db2.gz GHQOYFKZHHVENO-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO N#Cc1nc(Oc2cccc(-n3cc[nH+]c3)c2)ccc1C(F)(F)F ZINC000443516733 1036234361 /nfs/dbraw/zinc/23/43/61/1036234361.db2.gz FUGCSRIXQQYTSU-UHFFFAOYSA-N 1 2 330.269 3.950 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1c(C(C)C)nc2sc(C)nn12)c1ccc(F)cc1 ZINC000491316993 1036274183 /nfs/dbraw/zinc/27/41/83/1036274183.db2.gz ZACUIPUGOKUCNK-OAHLLOKOSA-N 1 2 342.443 3.826 20 30 EHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000464496895 1036524771 /nfs/dbraw/zinc/52/47/71/1036524771.db2.gz IXJWRIKSCWIVJR-INIZCTEOSA-N 1 2 333.859 3.745 20 30 EHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000464496895 1036524777 /nfs/dbraw/zinc/52/47/77/1036524777.db2.gz IXJWRIKSCWIVJR-INIZCTEOSA-N 1 2 333.859 3.745 20 30 EHEDLO C#C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000491277211 1037071330 /nfs/dbraw/zinc/07/13/30/1037071330.db2.gz NDCWLAIPMQKTBH-IBGZPJMESA-N 1 2 349.821 3.689 20 30 EHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000180848238 1037247601 /nfs/dbraw/zinc/24/76/01/1037247601.db2.gz XUVQZKORCJILBO-ZDUSSCGKSA-N 1 2 344.821 3.629 20 30 EHEDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181203794 1037441569 /nfs/dbraw/zinc/44/15/69/1037441569.db2.gz QCRXDFSFWMJSAJ-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181203794 1037441571 /nfs/dbraw/zinc/44/15/71/1037441571.db2.gz QCRXDFSFWMJSAJ-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000532538334 1037567611 /nfs/dbraw/zinc/56/76/11/1037567611.db2.gz MWFKJOYZWPILEG-GOSISDBHSA-N 1 2 345.406 3.649 20 30 EHEDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000532538334 1037567622 /nfs/dbraw/zinc/56/76/22/1037567622.db2.gz MWFKJOYZWPILEG-GOSISDBHSA-N 1 2 345.406 3.649 20 30 EHEDLO N#CC1(CC(=O)NCCn2c[nH+]cc2-c2ccccc2)CCCCC1 ZINC000913712559 1037639865 /nfs/dbraw/zinc/63/98/65/1037639865.db2.gz UPDWJLXQSJHDGC-UHFFFAOYSA-N 1 2 336.439 3.530 20 30 EHEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)n1 ZINC000378015132 1037662767 /nfs/dbraw/zinc/66/27/67/1037662767.db2.gz YUFZIEGPFXEYFR-LLVKDONJSA-N 1 2 340.408 3.529 20 30 EHEDLO CCCc1nc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000046087012 1037730983 /nfs/dbraw/zinc/73/09/83/1037730983.db2.gz USLXXUUYOCCNBU-UHFFFAOYSA-N 1 2 340.496 3.680 20 30 EHEDLO CCCc1nc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000046087012 1037730997 /nfs/dbraw/zinc/73/09/97/1037730997.db2.gz USLXXUUYOCCNBU-UHFFFAOYSA-N 1 2 340.496 3.680 20 30 EHEDLO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1c(F)cccc1F ZINC000539224281 1038738769 /nfs/dbraw/zinc/73/87/69/1038738769.db2.gz AZPYEOMTCFTGEG-JTQLQIEISA-N 1 2 349.768 3.779 20 30 EHEDLO Cc1csc([C@@H](C#N)C(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000553987292 1038783227 /nfs/dbraw/zinc/78/32/27/1038783227.db2.gz PPDVRBCMEBPPLZ-INIZCTEOSA-N 1 2 325.437 3.537 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1C(=O)OC ZINC000512375091 1038907211 /nfs/dbraw/zinc/90/72/11/1038907211.db2.gz LRSYZBMWVRMXFJ-UHFFFAOYSA-N 1 2 340.379 3.570 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1C(=O)OC ZINC000512375091 1038907231 /nfs/dbraw/zinc/90/72/31/1038907231.db2.gz LRSYZBMWVRMXFJ-UHFFFAOYSA-N 1 2 340.379 3.570 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2Cc3ccccc3C2)c1 ZINC000155499618 1038962835 /nfs/dbraw/zinc/96/28/35/1038962835.db2.gz DRAZTBFVOVYXAO-GOSISDBHSA-N 1 2 347.462 3.954 20 30 EHEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000488295083 1039062609 /nfs/dbraw/zinc/06/26/09/1039062609.db2.gz HZVDXTCUMMFLOZ-MRXNPFEDSA-N 1 2 340.427 3.535 20 30 EHEDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000312332511 1039185582 /nfs/dbraw/zinc/18/55/82/1039185582.db2.gz UMMVIMXJUYFYHP-SECBINFHSA-N 1 2 334.217 3.776 20 30 EHEDLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCOc3ccccc3C#N)[nH]c2c1 ZINC000570201160 1039301426 /nfs/dbraw/zinc/30/14/26/1039301426.db2.gz NDHFLQMVGAVNTE-IBGZPJMESA-N 1 2 346.434 3.959 20 30 EHEDLO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCOc3ccccc3C#N)[nH]c2c1 ZINC000570201160 1039301445 /nfs/dbraw/zinc/30/14/45/1039301445.db2.gz NDHFLQMVGAVNTE-IBGZPJMESA-N 1 2 346.434 3.959 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000237583274 1039390299 /nfs/dbraw/zinc/39/02/99/1039390299.db2.gz OARDIKMQCDDJKT-CHWSQXEVSA-N 1 2 328.416 3.509 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)c3ccccc3OCC#N)c2)[nH+]c1C ZINC000364075569 1039663529 /nfs/dbraw/zinc/66/35/29/1039663529.db2.gz MSISOAOWVLEKPV-UHFFFAOYSA-N 1 2 346.390 3.848 20 30 EHEDLO C=CC(C)(C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000893784056 1039715478 /nfs/dbraw/zinc/71/54/78/1039715478.db2.gz BGAISKBBINCMFM-KRWDZBQOSA-N 1 2 326.444 3.505 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000489473281 1040015426 /nfs/dbraw/zinc/01/54/26/1040015426.db2.gz JHUYMONLESDVRN-KRWDZBQOSA-N 1 2 341.480 3.614 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000489473281 1040015442 /nfs/dbraw/zinc/01/54/42/1040015442.db2.gz JHUYMONLESDVRN-KRWDZBQOSA-N 1 2 341.480 3.614 20 30 EHEDLO C=CCC(F)(F)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816401 1040184533 /nfs/dbraw/zinc/18/45/33/1040184533.db2.gz UDVCVYJFFHPSLE-CYBMUJFWSA-N 1 2 337.414 3.642 20 30 EHEDLO C=CCC(F)(F)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816401 1040184542 /nfs/dbraw/zinc/18/45/42/1040184542.db2.gz UDVCVYJFFHPSLE-CYBMUJFWSA-N 1 2 337.414 3.642 20 30 EHEDLO N#Cc1c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn2ccccc12 ZINC000490061415 1040331150 /nfs/dbraw/zinc/33/11/50/1040331150.db2.gz YBEFDVFBYFHXPQ-UHFFFAOYSA-N 1 2 346.390 3.884 20 30 EHEDLO N#Cc1c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn2ccccc12 ZINC000490061415 1040331175 /nfs/dbraw/zinc/33/11/75/1040331175.db2.gz YBEFDVFBYFHXPQ-UHFFFAOYSA-N 1 2 346.390 3.884 20 30 EHEDLO COc1ccc(OC)c(C[N@H+](Cc2cc(C#N)ccc2F)C2CC2)c1 ZINC000027605171 1040718141 /nfs/dbraw/zinc/71/81/41/1040718141.db2.gz MWVYCEZAONCYMY-UHFFFAOYSA-N 1 2 340.398 3.879 20 30 EHEDLO COc1ccc(OC)c(C[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)c1 ZINC000027605171 1040718151 /nfs/dbraw/zinc/71/81/51/1040718151.db2.gz MWVYCEZAONCYMY-UHFFFAOYSA-N 1 2 340.398 3.879 20 30 EHEDLO C=C(C)[C@H]([NH2+]Cc1cccc(C(=O)OCC)n1)c1ccc(F)c(F)c1 ZINC000600148165 1040734734 /nfs/dbraw/zinc/73/47/34/1040734734.db2.gz KKCBUGUFNQNRLJ-SFHVURJKSA-N 1 2 346.377 3.944 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000600213014 1040827332 /nfs/dbraw/zinc/82/73/32/1040827332.db2.gz OMNAQEJRJVCFKR-GOSISDBHSA-N 1 2 339.464 3.619 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000600213014 1040827342 /nfs/dbraw/zinc/82/73/42/1040827342.db2.gz OMNAQEJRJVCFKR-GOSISDBHSA-N 1 2 339.464 3.619 20 30 EHEDLO COCCOc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1 ZINC000151412436 1040857803 /nfs/dbraw/zinc/85/78/03/1040857803.db2.gz VMAAWESNCLRGFP-RMKNXTFCSA-N 1 2 336.391 3.564 20 30 EHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1CCC(C)C ZINC000661150733 1041970325 /nfs/dbraw/zinc/97/03/25/1041970325.db2.gz ROIKSRSFYFODFG-GOSISDBHSA-N 1 2 329.488 3.959 20 30 EHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1CCC(C)C ZINC000661150733 1041970331 /nfs/dbraw/zinc/97/03/31/1041970331.db2.gz ROIKSRSFYFODFG-GOSISDBHSA-N 1 2 329.488 3.959 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccccc2OC)n1)[C@@H](C)COC ZINC000661244702 1042024360 /nfs/dbraw/zinc/02/43/60/1042024360.db2.gz VLRPTQRTVSGRRC-AWEZNQCLSA-N 1 2 332.469 3.842 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccccc2OC)n1)[C@@H](C)COC ZINC000661244702 1042024368 /nfs/dbraw/zinc/02/43/68/1042024368.db2.gz VLRPTQRTVSGRRC-AWEZNQCLSA-N 1 2 332.469 3.842 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000661421623 1042113593 /nfs/dbraw/zinc/11/35/93/1042113593.db2.gz NBPQHWZJOAFKBO-GFCCVEGCSA-N 1 2 333.482 3.711 20 30 EHEDLO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000184436774 1042542194 /nfs/dbraw/zinc/54/21/94/1042542194.db2.gz IIZLDETVYBIRID-NSHDSACASA-N 1 2 326.343 3.744 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000599677729 1042560917 /nfs/dbraw/zinc/56/09/17/1042560917.db2.gz NJCVAJHVFXMFIF-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000599677729 1042560918 /nfs/dbraw/zinc/56/09/18/1042560918.db2.gz NJCVAJHVFXMFIF-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000279025018 1043214979 /nfs/dbraw/zinc/21/49/79/1043214979.db2.gz WDNOAQVPPSRAOB-QWRGUYRKSA-N 1 2 349.422 3.626 20 30 EHEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1C#N ZINC001139693879 1043454825 /nfs/dbraw/zinc/45/48/25/1043454825.db2.gz TWYJVPPPPRSDHJ-UHFFFAOYSA-N 1 2 337.851 3.558 20 30 EHEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1C#N ZINC001139693879 1043454830 /nfs/dbraw/zinc/45/48/30/1043454830.db2.gz TWYJVPPPPRSDHJ-UHFFFAOYSA-N 1 2 337.851 3.558 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000764879737 1127547546 /nfs/dbraw/zinc/54/75/46/1127547546.db2.gz PMBGNZNQAFTHOR-CQSZACIVSA-N 1 2 345.516 3.986 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000764879737 1127547548 /nfs/dbraw/zinc/54/75/48/1127547548.db2.gz PMBGNZNQAFTHOR-CQSZACIVSA-N 1 2 345.516 3.986 20 30 EHEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccoc1 ZINC000102517982 1127701488 /nfs/dbraw/zinc/70/14/88/1127701488.db2.gz RXEPBOSJAIVMLI-UHFFFAOYSA-N 1 2 345.830 3.702 20 30 EHEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccoc1 ZINC000102517982 1127701490 /nfs/dbraw/zinc/70/14/90/1127701490.db2.gz RXEPBOSJAIVMLI-UHFFFAOYSA-N 1 2 345.830 3.702 20 30 EHEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(C)o1 ZINC000347646608 1128512054 /nfs/dbraw/zinc/51/20/54/1128512054.db2.gz ZHMRWZWLVJJQSK-AWEZNQCLSA-N 1 2 336.338 3.538 20 30 EHEDLO N#Cc1c(F)cccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000302037513 1128616801 /nfs/dbraw/zinc/61/68/01/1128616801.db2.gz PZMYLMNBXKLCMW-UHFFFAOYSA-N 1 2 346.409 3.699 20 30 EHEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000191131926 1120661758 /nfs/dbraw/zinc/66/17/58/1120661758.db2.gz MXXVGUODKUGOIG-UHFFFAOYSA-N 1 2 340.345 3.995 20 30 EHEDLO C=CC[N@H+](CCOC)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000191131926 1120661762 /nfs/dbraw/zinc/66/17/62/1120661762.db2.gz MXXVGUODKUGOIG-UHFFFAOYSA-N 1 2 340.345 3.995 20 30 EHEDLO C=CC[N@@H+](CCOC)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000191112277 1120661880 /nfs/dbraw/zinc/66/18/80/1120661880.db2.gz FZFARWZXZBIRLO-LJQANCHMSA-N 1 2 349.434 3.960 20 30 EHEDLO C=CC[N@H+](CCOC)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000191112277 1120661884 /nfs/dbraw/zinc/66/18/84/1120661884.db2.gz FZFARWZXZBIRLO-LJQANCHMSA-N 1 2 349.434 3.960 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CCCC)C2CC2)c1=S ZINC000914783857 1120985299 /nfs/dbraw/zinc/98/52/99/1120985299.db2.gz ICVFDEORGMSGIG-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CCCC)C2CC2)c1=S ZINC000914783857 1120985301 /nfs/dbraw/zinc/98/53/01/1120985301.db2.gz ICVFDEORGMSGIG-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(Br)c1 ZINC000272570293 1121719773 /nfs/dbraw/zinc/71/97/73/1121719773.db2.gz QPLGPWUIEAQSBL-INIZCTEOSA-N 1 2 330.229 3.986 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(Br)c1 ZINC000272570293 1121719778 /nfs/dbraw/zinc/71/97/78/1121719778.db2.gz QPLGPWUIEAQSBL-INIZCTEOSA-N 1 2 330.229 3.986 20 30 EHEDLO C[C@H](NC(=O)/C=C\c1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000255130217 1129019693 /nfs/dbraw/zinc/01/96/93/1129019693.db2.gz RSSJFTKNZZFVML-QWGSZXSUSA-N 1 2 342.402 3.635 20 30 EHEDLO CCN(CCO)c1ccc(C=[NH+]Nc2ccc(F)cc2F)c(C)c1 ZINC000916248172 1122109860 /nfs/dbraw/zinc/10/98/60/1122109860.db2.gz PQRCQIQPVBMGDN-UHFFFAOYSA-N 1 2 333.382 3.538 20 30 EHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000496618253 1122135526 /nfs/dbraw/zinc/13/55/26/1122135526.db2.gz PUSCSLVJKDQDFN-HIFRSBDPSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000496618253 1122135531 /nfs/dbraw/zinc/13/55/31/1122135531.db2.gz PUSCSLVJKDQDFN-HIFRSBDPSA-N 1 2 347.434 3.575 20 30 EHEDLO C=CCN(C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000916708440 1122326668 /nfs/dbraw/zinc/32/66/68/1122326668.db2.gz AATUORSLARKNNY-CALCHBBNSA-N 1 2 345.487 3.724 20 30 EHEDLO C=CCN(C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000916708440 1122326673 /nfs/dbraw/zinc/32/66/73/1122326673.db2.gz AATUORSLARKNNY-CALCHBBNSA-N 1 2 345.487 3.724 20 30 EHEDLO CC[N@H+](CCC#N)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000127636256 1122498981 /nfs/dbraw/zinc/49/89/81/1122498981.db2.gz HDLLNYHIYRZMLN-UHFFFAOYSA-N 1 2 329.356 3.599 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000127636256 1122498984 /nfs/dbraw/zinc/49/89/84/1122498984.db2.gz HDLLNYHIYRZMLN-UHFFFAOYSA-N 1 2 329.356 3.599 20 30 EHEDLO Cc1oc(-c2cccs2)nc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000920401388 1123363870 /nfs/dbraw/zinc/36/38/70/1123363870.db2.gz ZCOKIYGVORYVOG-UHFFFAOYSA-N 1 2 345.399 3.996 20 30 EHEDLO CCC1CC(=O)C(=CNc2ccc([NH+]3CCCC3)cc2C)C(=O)C1 ZINC000920980233 1123449885 /nfs/dbraw/zinc/44/98/85/1123449885.db2.gz DTDLDLQQBRYLCR-UHFFFAOYSA-N 1 2 326.440 3.849 20 30 EHEDLO C[C@H](N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1)C(F)(F)F ZINC000135273567 1123596729 /nfs/dbraw/zinc/59/67/29/1123596729.db2.gz JMYKSFNUGNZSIL-AWEZNQCLSA-N 1 2 339.405 3.556 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000616135036 1123948332 /nfs/dbraw/zinc/94/83/32/1123948332.db2.gz CDFHPMVROPGLJL-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000616135036 1123948335 /nfs/dbraw/zinc/94/83/35/1123948335.db2.gz CDFHPMVROPGLJL-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093078500 1129575654 /nfs/dbraw/zinc/57/56/54/1129575654.db2.gz SJGLYVMUMZVCOQ-CYBMUJFWSA-N 1 2 347.434 3.777 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2Cl)o1 ZINC000174310944 1130349935 /nfs/dbraw/zinc/34/99/35/1130349935.db2.gz FMJAWBXVVURIIH-UHFFFAOYSA-N 1 2 325.593 3.857 20 30 EHEDLO Cc1cc(-n2c(C)cc(C=NNc3cc[nH+]c4ccccc34)c2C)no1 ZINC000730147755 1130679221 /nfs/dbraw/zinc/67/92/21/1130679221.db2.gz JPNBTCALRXOEQP-UHFFFAOYSA-N 1 2 345.406 3.807 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000730279750 1130694228 /nfs/dbraw/zinc/69/42/28/1130694228.db2.gz GJPDGUORBCVNLW-KRWDZBQOSA-N 1 2 346.858 3.698 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000730279750 1130694231 /nfs/dbraw/zinc/69/42/31/1130694231.db2.gz GJPDGUORBCVNLW-KRWDZBQOSA-N 1 2 346.858 3.698 20 30 EHEDLO O=[N+]([O-])c1cc(C=[NH+]Nc2ccc(F)cn2)ccc1N1CCCCC1 ZINC000731317843 1130788444 /nfs/dbraw/zinc/78/84/44/1130788444.db2.gz FEZSLQIKUBZINU-UHFFFAOYSA-N 1 2 343.362 3.565 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccccc2)CC1 ZINC000739902003 1131515824 /nfs/dbraw/zinc/51/58/24/1131515824.db2.gz DXHIGEYKBKRHHD-HXUWFJFHSA-N 1 2 334.419 3.652 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861772 1131550582 /nfs/dbraw/zinc/55/05/82/1131550582.db2.gz YOTQGDLPJHIALL-HZPDHXFCSA-N 1 2 342.512 3.879 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861772 1131550585 /nfs/dbraw/zinc/55/05/85/1131550585.db2.gz YOTQGDLPJHIALL-HZPDHXFCSA-N 1 2 342.512 3.879 20 30 EHEDLO CCCCn1nc(C)c(C[NH2+]Cc2cc(C#N)ccc2F)c1Cl ZINC000742381687 1131712717 /nfs/dbraw/zinc/71/27/17/1131712717.db2.gz CRULKIVVROVRKX-UHFFFAOYSA-N 1 2 334.826 3.946 20 30 EHEDLO CCCCCCCC[C@@H](CC)[NH2+][C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001172504147 1131762283 /nfs/dbraw/zinc/76/22/83/1131762283.db2.gz VNZHYLNKRRVBRR-CVEARBPZSA-N 1 2 342.524 3.691 20 30 EHEDLO CCN(CCO)c1ccc(C=[NH+]Nc2cccc(F)c2F)c(C)c1 ZINC000743443779 1131919817 /nfs/dbraw/zinc/91/98/17/1131919817.db2.gz QHPIYXOTRIAWFE-UHFFFAOYSA-N 1 2 333.382 3.538 20 30 EHEDLO N#Cc1ncc(Nc2ccc(N3CCCC3)[nH+]c2)cc1C(F)(F)F ZINC001175348360 1132629898 /nfs/dbraw/zinc/62/98/98/1132629898.db2.gz FYERTUYWQCXAMU-UHFFFAOYSA-N 1 2 333.317 3.711 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000769329629 1133264110 /nfs/dbraw/zinc/26/41/10/1133264110.db2.gz TYOWQRJJIGWWKA-KRWDZBQOSA-N 1 2 346.434 3.903 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000769329629 1133264114 /nfs/dbraw/zinc/26/41/14/1133264114.db2.gz TYOWQRJJIGWWKA-KRWDZBQOSA-N 1 2 346.434 3.903 20 30 EHEDLO C#Cc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c(Cl)c1 ZINC001179656063 1133267267 /nfs/dbraw/zinc/26/72/67/1133267267.db2.gz NLLUROMXJFMBTH-ZDUSSCGKSA-N 1 2 341.720 3.650 20 30 EHEDLO Cc1c(C(=O)/C=C/c2cccc3[nH+]ccn32)cnn1-c1ccccc1 ZINC000769608511 1133321487 /nfs/dbraw/zinc/32/14/87/1133321487.db2.gz UIHFBVQYXHJWJU-ZHACJKMWSA-N 1 2 328.375 3.725 20 30 EHEDLO O=C1c2cc3c(cc2OCC/C1=C\c1cccc2[nH+]ccn21)CCC3 ZINC000769615121 1133322416 /nfs/dbraw/zinc/32/24/16/1133322416.db2.gz OLBKULWYDZRFHT-LFIBNONCSA-N 1 2 330.387 3.872 20 30 EHEDLO CC1(C)CCC(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC001180488196 1133375980 /nfs/dbraw/zinc/37/59/80/1133375980.db2.gz DIEMNOPWMAWEPH-FQEVSTJZSA-N 1 2 325.500 3.913 20 30 EHEDLO CC1(C)CCC(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC001180488196 1133375987 /nfs/dbraw/zinc/37/59/87/1133375987.db2.gz DIEMNOPWMAWEPH-FQEVSTJZSA-N 1 2 325.500 3.913 20 30 EHEDLO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 ZINC001180671721 1133400174 /nfs/dbraw/zinc/40/01/74/1133400174.db2.gz BUOAMEJEQDBWLZ-XJKSGUPXSA-N 1 2 349.500 3.549 20 30 EHEDLO C#CC1CCN(C(=O)[C@@H](c2ccccc2Cl)[NH+](CC)CC)CC1 ZINC001182222181 1133599132 /nfs/dbraw/zinc/59/91/32/1133599132.db2.gz STVLIMQUXVHRPC-GOSISDBHSA-N 1 2 332.875 3.595 20 30 EHEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829636 1133862444 /nfs/dbraw/zinc/86/24/44/1133862444.db2.gz PXIFZEQXXSIGJP-MBOZVWFJSA-N 1 2 339.483 3.702 20 30 EHEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829636 1133862453 /nfs/dbraw/zinc/86/24/53/1133862453.db2.gz PXIFZEQXXSIGJP-MBOZVWFJSA-N 1 2 339.483 3.702 20 30 EHEDLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)ccc1C#N ZINC000774828373 1134027053 /nfs/dbraw/zinc/02/70/53/1134027053.db2.gz ZDQZGUYVYLQHSS-HXUWFJFHSA-N 1 2 334.419 3.575 20 30 EHEDLO Cc1cc(C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)ccc1C#N ZINC000774828373 1134027058 /nfs/dbraw/zinc/02/70/58/1134027058.db2.gz ZDQZGUYVYLQHSS-HXUWFJFHSA-N 1 2 334.419 3.575 20 30 EHEDLO N#Cc1ccc(NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)nc1 ZINC001187914018 1134396567 /nfs/dbraw/zinc/39/65/67/1134396567.db2.gz UJFVBSAIPCHGLM-UHFFFAOYSA-N 1 2 337.814 3.506 20 30 EHEDLO C=CC1CC[NH+](Cc2occ(C(F)(F)F)c2C(=O)OCC)CC1 ZINC001191013133 1134779019 /nfs/dbraw/zinc/77/90/19/1134779019.db2.gz GCQRKQWFLYOYCN-UHFFFAOYSA-N 1 2 331.334 3.873 20 30 EHEDLO C=C(C)C[N@@H+](CC(=O)OCC)[C@H](C)c1cccc(Br)c1 ZINC001192427803 1135012317 /nfs/dbraw/zinc/01/23/17/1135012317.db2.gz NIYSDILAOYDQJF-CYBMUJFWSA-N 1 2 340.261 3.951 20 30 EHEDLO C=C(C)C[N@H+](CC(=O)OCC)[C@H](C)c1cccc(Br)c1 ZINC001192427803 1135012321 /nfs/dbraw/zinc/01/23/21/1135012321.db2.gz NIYSDILAOYDQJF-CYBMUJFWSA-N 1 2 340.261 3.951 20 30 EHEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001192939383 1135080428 /nfs/dbraw/zinc/08/04/28/1135080428.db2.gz MDBKASANADWKHV-HNNXBMFYSA-N 1 2 333.863 3.600 20 30 EHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001129983704 1135211356 /nfs/dbraw/zinc/21/13/56/1135211356.db2.gz KYHBOTMWPDELLQ-MRXNPFEDSA-N 1 2 344.418 3.636 20 30 EHEDLO CC(N=Nc1nccnc1C1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000807993255 1135600537 /nfs/dbraw/zinc/60/05/37/1135600537.db2.gz XMGASNDIKFFYCZ-UHFFFAOYSA-N 1 2 332.411 3.766 20 30 EHEDLO N#Cc1c(Cl)nsc1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000809340251 1135820419 /nfs/dbraw/zinc/82/04/19/1135820419.db2.gz NRYSEFDTUCKNEK-XYPYZODXSA-N 1 2 333.848 3.898 20 30 EHEDLO CCCCCC[C@H](CC)[NH2+][C@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001170591241 1135904126 /nfs/dbraw/zinc/90/41/26/1135904126.db2.gz BAVHZHNMTJFJPC-RBUKOAKNSA-N 1 2 330.472 3.981 20 30 EHEDLO C#CC[N@@H+](Cc1nc(COc2cc(C)cc(C)c2)no1)C1CCCC1 ZINC000747660112 1136027781 /nfs/dbraw/zinc/02/77/81/1136027781.db2.gz UQZWXRZQWYATPT-UHFFFAOYSA-N 1 2 339.439 3.643 20 30 EHEDLO C#CC[N@H+](Cc1nc(COc2cc(C)cc(C)c2)no1)C1CCCC1 ZINC000747660112 1136027783 /nfs/dbraw/zinc/02/77/83/1136027783.db2.gz UQZWXRZQWYATPT-UHFFFAOYSA-N 1 2 339.439 3.643 20 30 EHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1O ZINC000811698659 1136126870 /nfs/dbraw/zinc/12/68/70/1136126870.db2.gz MSLZBASPRGEABW-SNAWJCMRSA-N 1 2 328.755 3.598 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(F)cc1 ZINC000812794395 1136251477 /nfs/dbraw/zinc/25/14/77/1136251477.db2.gz ZYLAVUWBGTYPNY-CQSZACIVSA-N 1 2 349.308 3.620 20 30 EHEDLO C#CCC[N@@H+](CCOC)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000852749173 1136482822 /nfs/dbraw/zinc/48/28/22/1136482822.db2.gz RDLLNIUOYVLUDH-UHFFFAOYSA-N 1 2 336.407 3.560 20 30 EHEDLO C#CCC[N@H+](CCOC)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000852749173 1136482826 /nfs/dbraw/zinc/48/28/26/1136482826.db2.gz RDLLNIUOYVLUDH-UHFFFAOYSA-N 1 2 336.407 3.560 20 30 EHEDLO COc1ccccc1CO[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000814923327 1136525026 /nfs/dbraw/zinc/52/50/26/1136525026.db2.gz DTCOFPUZSZZQHI-UHFFFAOYSA-N 1 2 331.441 3.627 20 30 EHEDLO COc1cc(N[NH+]=C(C)c2cc([N+](=O)[O-])ccc2N)ccc1Cl ZINC000814918877 1136529025 /nfs/dbraw/zinc/52/90/25/1136529025.db2.gz CJQFJOJFBJZSBM-UHFFFAOYSA-N 1 2 334.763 3.675 20 30 EHEDLO Nc1ncc(C=[NH+]Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 ZINC000814948813 1136530586 /nfs/dbraw/zinc/53/05/86/1136530586.db2.gz GKYBMAPMMCNMQT-UHFFFAOYSA-N 1 2 349.238 3.542 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccnc(Br)c1 ZINC000815028008 1136541959 /nfs/dbraw/zinc/54/19/59/1136541959.db2.gz NWBHRTBVHIXJSA-UHFFFAOYSA-N 1 2 333.204 3.619 20 30 EHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccnc(Br)c1 ZINC000815028008 1136541960 /nfs/dbraw/zinc/54/19/60/1136541960.db2.gz NWBHRTBVHIXJSA-UHFFFAOYSA-N 1 2 333.204 3.619 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+](C)C[C@@H]2CCc3ccccc32)c1=S ZINC000853609386 1136549288 /nfs/dbraw/zinc/54/92/88/1136549288.db2.gz FLNNINVWPPRZOW-INIZCTEOSA-N 1 2 328.485 3.528 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+](C)C[C@@H]2CCc3ccccc32)c1=S ZINC000853609386 1136549290 /nfs/dbraw/zinc/54/92/90/1136549290.db2.gz FLNNINVWPPRZOW-INIZCTEOSA-N 1 2 328.485 3.528 20 30 EHEDLO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000218681867 1136852582 /nfs/dbraw/zinc/85/25/82/1136852582.db2.gz KGZWOJUNZSQVPC-CYBMUJFWSA-N 1 2 328.412 3.860 20 30 EHEDLO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000218681867 1136852583 /nfs/dbraw/zinc/85/25/83/1136852583.db2.gz KGZWOJUNZSQVPC-CYBMUJFWSA-N 1 2 328.412 3.860 20 30 EHEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC001136351020 1136997314 /nfs/dbraw/zinc/99/73/14/1136997314.db2.gz BZNBUMFUFOLTDC-AWEZNQCLSA-N 1 2 339.464 3.609 20 30 EHEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC001136351020 1136997315 /nfs/dbraw/zinc/99/73/15/1136997315.db2.gz BZNBUMFUFOLTDC-AWEZNQCLSA-N 1 2 339.464 3.609 20 30 EHEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC001136351021 1136997357 /nfs/dbraw/zinc/99/73/57/1136997357.db2.gz BZNBUMFUFOLTDC-CQSZACIVSA-N 1 2 339.464 3.609 20 30 EHEDLO C#Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC001136351021 1136997359 /nfs/dbraw/zinc/99/73/59/1136997359.db2.gz BZNBUMFUFOLTDC-CQSZACIVSA-N 1 2 339.464 3.609 20 30 EHEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000777100592 1137010291 /nfs/dbraw/zinc/01/02/91/1137010291.db2.gz DAAYLGGQWUSOPT-MRXNPFEDSA-N 1 2 332.407 3.626 20 30 EHEDLO CC(C)Oc1cc(Cl)c(C=NNc2[nH+]ccn2C)cc1Cl ZINC000863109218 1137170228 /nfs/dbraw/zinc/17/02/28/1137170228.db2.gz GDFZANBCKCUAQX-UHFFFAOYSA-N 1 2 327.215 3.960 20 30 EHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001143722866 1137194233 /nfs/dbraw/zinc/19/42/33/1137194233.db2.gz JVBJDSAHZGTCEV-UHFFFAOYSA-N 1 2 344.817 3.834 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143726656 1137194387 /nfs/dbraw/zinc/19/43/87/1137194387.db2.gz XFMMUUVBWHNPRM-CYBMUJFWSA-N 1 2 349.862 3.558 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143726656 1137194388 /nfs/dbraw/zinc/19/43/88/1137194388.db2.gz XFMMUUVBWHNPRM-CYBMUJFWSA-N 1 2 349.862 3.558 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000844281273 1137208727 /nfs/dbraw/zinc/20/87/27/1137208727.db2.gz OJDCZEDPGZSRBA-LJQANCHMSA-N 1 2 331.375 3.589 20 30 EHEDLO C#CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000844281273 1137208728 /nfs/dbraw/zinc/20/87/28/1137208728.db2.gz OJDCZEDPGZSRBA-LJQANCHMSA-N 1 2 331.375 3.589 20 30 EHEDLO C=C[C@@](C)(CC)COC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805926826 1137209340 /nfs/dbraw/zinc/20/93/40/1137209340.db2.gz ZKNRCMWJVFBSJC-SFHVURJKSA-N 1 2 336.501 3.809 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c1=S ZINC000844761226 1137250524 /nfs/dbraw/zinc/25/05/24/1137250524.db2.gz WMYKYHUZIOKEJO-ZDUSSCGKSA-N 1 2 346.475 3.667 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCc3ccc(F)cc3[C@@H](C)C2)c1=S ZINC000844761226 1137250525 /nfs/dbraw/zinc/25/05/25/1137250525.db2.gz WMYKYHUZIOKEJO-ZDUSSCGKSA-N 1 2 346.475 3.667 20 30 EHEDLO COc1cc(Cl)cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001144488048 1137299451 /nfs/dbraw/zinc/29/94/51/1137299451.db2.gz BGUGJESJIMGQQL-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866215342 1137335845 /nfs/dbraw/zinc/33/58/45/1137335845.db2.gz JKBTZBZIOGEKRL-AWEZNQCLSA-N 1 2 334.423 3.663 20 30 EHEDLO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC(F)F ZINC000866223379 1137336334 /nfs/dbraw/zinc/33/63/34/1137336334.db2.gz DFPPRZPEZPMJFC-LLVKDONJSA-N 1 2 348.349 3.725 20 30 EHEDLO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866242944 1137338405 /nfs/dbraw/zinc/33/84/05/1137338405.db2.gz PJCGPNRPLDVVSL-HUUCEWRRSA-N 1 2 339.414 3.580 20 30 EHEDLO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866351408 1137348410 /nfs/dbraw/zinc/34/84/10/1137348410.db2.gz JZCRBIPUZXTFJO-LPHOPBHVSA-N 1 2 338.451 3.952 20 30 EHEDLO C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1cccc(C#N)c1O ZINC000866365824 1137349717 /nfs/dbraw/zinc/34/97/17/1137349717.db2.gz YPVNTUWYNHDFKN-NSHDSACASA-N 1 2 335.329 3.571 20 30 EHEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000867626991 1137382863 /nfs/dbraw/zinc/38/28/63/1137382863.db2.gz AEEZQAIKLZQTBF-UHFFFAOYSA-N 1 2 349.843 3.602 20 30 EHEDLO C(=[NH+]Nc1cncnc1)c1ccc(N2CCC(c3ccccc3)=N2)cc1 ZINC000794979395 1137390177 /nfs/dbraw/zinc/39/01/77/1137390177.db2.gz GJLLCRQWBODZGX-UHFFFAOYSA-N 1 2 342.406 3.537 20 30 EHEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cscn2)ccc1OC ZINC000772987146 1137419520 /nfs/dbraw/zinc/41/95/20/1137419520.db2.gz TUUQMBRWUWJQPZ-GXTWGEPZSA-N 1 2 331.441 3.683 20 30 EHEDLO N#Cc1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282789788 1137451427 /nfs/dbraw/zinc/45/14/27/1137451427.db2.gz JGLWOFZGTYAQGY-INIZCTEOSA-N 1 2 349.438 3.503 20 30 EHEDLO CCCCCCC[C@@H](CC)[NH2+][C@@H](CCC(=O)OCC)C(=O)OCC ZINC001172346323 1137553071 /nfs/dbraw/zinc/55/30/71/1137553071.db2.gz IVDDMQVWQRMGHG-SJORKVTESA-N 1 2 343.508 3.990 20 30 EHEDLO C(=[NH+]NCc1ccc2ccccc2n1)c1ccc(N2CCCCC2)o1 ZINC000872409208 1137579570 /nfs/dbraw/zinc/57/95/70/1137579570.db2.gz UCTFMRJASNBCFR-UHFFFAOYSA-N 1 2 334.423 3.942 20 30 EHEDLO N#Cc1cnc(Cl)c(CNC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000876891007 1137664761 /nfs/dbraw/zinc/66/47/61/1137664761.db2.gz NUNULDFAYOINJY-MRXNPFEDSA-N 1 2 344.846 3.516 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000877423709 1137675880 /nfs/dbraw/zinc/67/58/80/1137675880.db2.gz KBRPEOOJNJBUSB-LJQANCHMSA-N 1 2 339.826 3.628 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000877423709 1137675881 /nfs/dbraw/zinc/67/58/81/1137675881.db2.gz KBRPEOOJNJBUSB-LJQANCHMSA-N 1 2 339.826 3.628 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878887332 1137731073 /nfs/dbraw/zinc/73/10/73/1137731073.db2.gz CHMZDHLZBCVXGI-JAXLGGSGSA-N 1 2 347.462 3.859 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878887332 1137731074 /nfs/dbraw/zinc/73/10/74/1137731074.db2.gz CHMZDHLZBCVXGI-JAXLGGSGSA-N 1 2 347.462 3.859 20 30 EHEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000121213276 1137955888 /nfs/dbraw/zinc/95/58/88/1137955888.db2.gz CFNMKTCVUIGOKP-AWEZNQCLSA-N 1 2 345.493 3.605 20 30 EHEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000121213276 1137955889 /nfs/dbraw/zinc/95/58/89/1137955889.db2.gz CFNMKTCVUIGOKP-AWEZNQCLSA-N 1 2 345.493 3.605 20 30 EHEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332665 1137973000 /nfs/dbraw/zinc/97/30/00/1137973000.db2.gz VHBSMMPPMLUANH-BEFAXECRSA-N 1 2 340.858 3.678 20 30 EHEDLO Cc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000058452135 1138063471 /nfs/dbraw/zinc/06/34/71/1138063471.db2.gz YISNHINGCNHKFT-UHFFFAOYSA-N 1 2 349.438 3.574 20 30 EHEDLO CC[C@](C)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nccs1 ZINC000072682661 1138107146 /nfs/dbraw/zinc/10/71/46/1138107146.db2.gz FWPRPKAMSKZQLA-INIZCTEOSA-N 1 2 348.859 3.522 20 30 EHEDLO CCOc1ccc(/C=[NH+]\CC[C@@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000887271002 1138252404 /nfs/dbraw/zinc/25/24/04/1138252404.db2.gz XZGCWWGVFYQMSG-XESZTULISA-N 1 2 347.455 3.576 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000264146290 1138428566 /nfs/dbraw/zinc/42/85/66/1138428566.db2.gz RTXFTPSHHOLNAD-UHFFFAOYSA-N 1 2 343.408 3.571 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000134157409 1138675880 /nfs/dbraw/zinc/67/58/80/1138675880.db2.gz ILVWSJYXSZCNCL-WBMJQRKESA-N 1 2 334.345 3.861 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000337955228 1138707648 /nfs/dbraw/zinc/70/76/48/1138707648.db2.gz LIDHVPBHRDNFSS-OAHLLOKOSA-N 1 2 330.391 3.543 20 30 EHEDLO C=CCN(Cc1ccccc1F)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000338161404 1138770048 /nfs/dbraw/zinc/77/00/48/1138770048.db2.gz AACYYMNEFCQJDW-UHFFFAOYSA-N 1 2 349.409 3.899 20 30 EHEDLO C#CCCOc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1 ZINC000267647319 1140815964 /nfs/dbraw/zinc/81/59/64/1140815964.db2.gz SOMRRPQHYRUMQW-AWEZNQCLSA-N 1 2 330.453 3.542 20 30 EHEDLO C=CCC(CC=C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000268140338 1140889360 /nfs/dbraw/zinc/88/93/60/1140889360.db2.gz CCZNPZRHBNSURW-INIZCTEOSA-N 1 2 328.456 3.787 20 30 EHEDLO CC1=CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000270350996 1141210956 /nfs/dbraw/zinc/21/09/56/1141210956.db2.gz PVUYVPDTZCZSMI-OAHLLOKOSA-N 1 2 329.469 3.671 20 30 EHEDLO CC1=CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000270350996 1141210961 /nfs/dbraw/zinc/21/09/61/1141210961.db2.gz PVUYVPDTZCZSMI-OAHLLOKOSA-N 1 2 329.469 3.671 20 30 EHEDLO C[C@H]1CCN(c2ccc(C#N)cc2Br)C[C@H]1n1cc[nH+]c1 ZINC000270528291 1141236321 /nfs/dbraw/zinc/23/63/21/1141236321.db2.gz UALPOHMOYYILBD-BLLLJJGKSA-N 1 2 345.244 3.605 20 30 EHEDLO Cc1cn2cc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)ccc2[nH+]1 ZINC000339267983 1014133881 /nfs/dbraw/zinc/13/38/81/1014133881.db2.gz CUOZPGKSNHQDBY-LJQANCHMSA-N 1 2 348.406 3.557 20 30 EHEDLO CC(C)(CNC(=O)c1ccccc1-c1ccccc1C#N)n1cc[nH+]c1 ZINC001168358777 1032344376 /nfs/dbraw/zinc/34/43/76/1032344376.db2.gz LKNMPEMWXYNKEW-UHFFFAOYSA-N 1 2 344.418 3.587 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(N4CCCC4=O)cc3)n2c1 ZINC000255066165 1017306339 /nfs/dbraw/zinc/30/63/39/1017306339.db2.gz CDMFBBBRRIFERZ-KTKRTIGZSA-N 1 2 345.402 3.666 20 30 EHEDLO CCOc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000549164908 1017461539 /nfs/dbraw/zinc/46/15/39/1017461539.db2.gz IDDONPUALSENNZ-CQSZACIVSA-N 1 2 348.406 3.858 20 30 EHEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000547951589 1017567764 /nfs/dbraw/zinc/56/77/64/1017567764.db2.gz MHQFLHJNIFSICP-IBGZPJMESA-N 1 2 340.492 3.752 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1cccc(C#N)c1 ZINC000340443238 1017841366 /nfs/dbraw/zinc/84/13/66/1017841366.db2.gz FOUOTJMFUXRVGB-RYUDHWBXSA-N 1 2 329.350 3.514 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(OC)cc1 ZINC000614352662 1018773023 /nfs/dbraw/zinc/77/30/23/1018773023.db2.gz ROXJFXJMSBUOPS-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(OC)cc1 ZINC000614352662 1018773034 /nfs/dbraw/zinc/77/30/34/1018773034.db2.gz ROXJFXJMSBUOPS-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO CCCc1nnc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000050027521 1018777638 /nfs/dbraw/zinc/77/76/38/1018777638.db2.gz UCIQHWQSZPQYDF-AWEZNQCLSA-N 1 2 330.457 3.743 20 30 EHEDLO CCCc1nnc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000050027521 1018777647 /nfs/dbraw/zinc/77/76/47/1018777647.db2.gz UCIQHWQSZPQYDF-AWEZNQCLSA-N 1 2 330.457 3.743 20 30 EHEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000086235290 1019084049 /nfs/dbraw/zinc/08/40/49/1019084049.db2.gz BYKKDSFDLJWNLT-LBPRGKRZSA-N 1 2 343.814 3.969 20 30 EHEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000086235290 1019084068 /nfs/dbraw/zinc/08/40/68/1019084068.db2.gz BYKKDSFDLJWNLT-LBPRGKRZSA-N 1 2 343.814 3.969 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc(Br)ccc2Br)CC1 ZINC000894205811 1019176109 /nfs/dbraw/zinc/17/61/09/1019176109.db2.gz ZIEPPQHZCQJKCT-UHFFFAOYSA-N 1 2 344.050 3.605 20 30 EHEDLO CO[C@@H](C)c1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594032143 1032812760 /nfs/dbraw/zinc/81/27/60/1032812760.db2.gz PRLLUYRYRCVYSF-ZDUSSCGKSA-N 1 2 327.453 3.891 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4cccs4)no3)CCC2)cc1 ZINC000594032091 1032814563 /nfs/dbraw/zinc/81/45/63/1032814563.db2.gz CTFIDNUEAKDTSH-UHFFFAOYSA-N 1 2 336.420 3.839 20 30 EHEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000261460513 1019369736 /nfs/dbraw/zinc/36/97/36/1019369736.db2.gz LVGUBCXUOOPYRN-AWEZNQCLSA-N 1 2 337.427 3.622 20 30 EHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2cccc(Cl)c2)c1 ZINC000580948132 1020288590 /nfs/dbraw/zinc/28/85/90/1020288590.db2.gz BRQRVWGVWATKOQ-IBGZPJMESA-N 1 2 343.858 3.625 20 30 EHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2cccc(Cl)c2)c1 ZINC000580948132 1020288605 /nfs/dbraw/zinc/28/86/05/1020288605.db2.gz BRQRVWGVWATKOQ-IBGZPJMESA-N 1 2 343.858 3.625 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000255290684 1020706539 /nfs/dbraw/zinc/70/65/39/1020706539.db2.gz UKOPGUYTSPTTMC-RXWSAZGZSA-N 1 2 339.395 3.556 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000050962754 1020805206 /nfs/dbraw/zinc/80/52/06/1020805206.db2.gz VUVIGEUHZKQBMU-MRXNPFEDSA-N 1 2 347.434 3.577 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000050962754 1020805212 /nfs/dbraw/zinc/80/52/12/1020805212.db2.gz VUVIGEUHZKQBMU-MRXNPFEDSA-N 1 2 347.434 3.577 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276366533 1021109903 /nfs/dbraw/zinc/10/99/03/1021109903.db2.gz BVINJGGMAXBPEG-OAHLLOKOSA-N 1 2 326.444 3.945 20 30 EHEDLO Cc1cn2cc(NC(=O)N[C@H](CCC#N)c3ccccc3)ccc2[nH+]1 ZINC000439388659 1021401626 /nfs/dbraw/zinc/40/16/26/1021401626.db2.gz RGADVNILJMSGEF-QGZVFWFLSA-N 1 2 333.395 3.809 20 30 EHEDLO N#Cc1c(Cl)nsc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000051149663 1021403930 /nfs/dbraw/zinc/40/39/30/1021403930.db2.gz UTYDWPKWWCVAKM-QPJJXVBHSA-N 1 2 344.871 3.504 20 30 EHEDLO C=CC[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440882547 1021842511 /nfs/dbraw/zinc/84/25/11/1021842511.db2.gz WQHONVORBCNAFZ-FUHWJXTLSA-N 1 2 326.444 3.505 20 30 EHEDLO CCCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(OCCC)c1 ZINC000897632147 1033026711 /nfs/dbraw/zinc/02/67/11/1033026711.db2.gz IFEKBTCTJGGOKH-UHFFFAOYSA-N 1 2 345.468 3.882 20 30 EHEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000602643780 1033036213 /nfs/dbraw/zinc/03/62/13/1033036213.db2.gz KYGKBALUIZWAGO-CABCVRRESA-N 1 2 346.475 3.867 20 30 EHEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)o1 ZINC000328868251 1022523406 /nfs/dbraw/zinc/52/34/06/1022523406.db2.gz CLUAXBFOKOHEFE-AWEZNQCLSA-N 1 2 328.416 3.693 20 30 EHEDLO CC(C)c1nnc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)o1 ZINC000328868251 1022523416 /nfs/dbraw/zinc/52/34/16/1022523416.db2.gz CLUAXBFOKOHEFE-AWEZNQCLSA-N 1 2 328.416 3.693 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccc(F)cc1 ZINC000894575995 1022577209 /nfs/dbraw/zinc/57/72/09/1022577209.db2.gz XYUCWIATGAYUMP-CYBMUJFWSA-N 1 2 328.334 3.851 20 30 EHEDLO CCC(C#N)(CC)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000528903650 1033073730 /nfs/dbraw/zinc/07/37/30/1033073730.db2.gz KGVZEVDHPGBIBO-UHFFFAOYSA-N 1 2 334.423 3.870 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]32)c1C#N ZINC000610762812 1023473049 /nfs/dbraw/zinc/47/30/49/1023473049.db2.gz ZABZNKOCHFSHGB-YJBOKZPZSA-N 1 2 340.471 3.515 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]32)c1C#N ZINC000610762812 1023473055 /nfs/dbraw/zinc/47/30/55/1023473055.db2.gz ZABZNKOCHFSHGB-YJBOKZPZSA-N 1 2 340.471 3.515 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000610859448 1023798749 /nfs/dbraw/zinc/79/87/49/1023798749.db2.gz LSIVYDVQUPMRTB-UHFFFAOYSA-N 1 2 334.419 3.790 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000610859448 1023798759 /nfs/dbraw/zinc/79/87/59/1023798759.db2.gz LSIVYDVQUPMRTB-UHFFFAOYSA-N 1 2 334.419 3.790 20 30 EHEDLO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C#N)CC2)c1 ZINC000060893856 1033175475 /nfs/dbraw/zinc/17/54/75/1033175475.db2.gz SXRBPHGXWZRKMF-HXUWFJFHSA-N 1 2 349.434 3.611 20 30 EHEDLO O=C(NC[C@H]1CCCCC(F)(F)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000330180295 1024345039 /nfs/dbraw/zinc/34/50/39/1024345039.db2.gz FXRBUHRALHPSNQ-ZDUSSCGKSA-N 1 2 340.418 3.719 20 30 EHEDLO O=C(NC[C@H]1CCCCC(F)(F)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330180295 1024345054 /nfs/dbraw/zinc/34/50/54/1024345054.db2.gz FXRBUHRALHPSNQ-ZDUSSCGKSA-N 1 2 340.418 3.719 20 30 EHEDLO O=C(C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)NCC1CCCCC1 ZINC000330191396 1024348396 /nfs/dbraw/zinc/34/83/96/1024348396.db2.gz MZVFRXHOQMEBEC-INIZCTEOSA-N 1 2 349.450 3.601 20 30 EHEDLO O=C(C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)NCC1CCCCC1 ZINC000330191396 1024348412 /nfs/dbraw/zinc/34/84/12/1024348412.db2.gz MZVFRXHOQMEBEC-INIZCTEOSA-N 1 2 349.450 3.601 20 30 EHEDLO C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCn5cc[nH+]c5C4)cc3c2C1 ZINC000330258320 1024376558 /nfs/dbraw/zinc/37/65/58/1024376558.db2.gz RFWLQAYKWAHRSN-UKRRQHHQSA-N 1 2 348.450 3.809 20 30 EHEDLO CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529518995 1024472086 /nfs/dbraw/zinc/47/20/86/1024472086.db2.gz FYKJGQRFBKUTDE-UHFFFAOYSA-N 1 2 339.262 3.636 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529518995 1024472092 /nfs/dbraw/zinc/47/20/92/1024472092.db2.gz FYKJGQRFBKUTDE-UHFFFAOYSA-N 1 2 339.262 3.636 20 30 EHEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000602862131 1033213731 /nfs/dbraw/zinc/21/37/31/1033213731.db2.gz LGSWXDSPUXGBJK-ABAIWWIYSA-N 1 2 340.254 3.549 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000342289077 1024733254 /nfs/dbraw/zinc/73/32/54/1024733254.db2.gz BHNILTAQASQWKJ-SFHVURJKSA-N 1 2 342.393 3.505 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000281273473 1024832824 /nfs/dbraw/zinc/83/28/24/1024832824.db2.gz HOQQBHJSMHEEMS-GOSISDBHSA-N 1 2 344.503 3.684 20 30 EHEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1Cl ZINC000435535137 1024997114 /nfs/dbraw/zinc/99/71/14/1024997114.db2.gz POMVSJJFELKHGX-KRWDZBQOSA-N 1 2 344.842 3.592 20 30 EHEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccccc2)cc1Cl ZINC000435535137 1024997126 /nfs/dbraw/zinc/99/71/26/1024997126.db2.gz POMVSJJFELKHGX-KRWDZBQOSA-N 1 2 344.842 3.592 20 30 EHEDLO Fc1cc(F)c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1F ZINC000896227361 1025260385 /nfs/dbraw/zinc/26/03/85/1025260385.db2.gz MIWIKTVKUBYPED-LBPRGKRZSA-N 1 2 327.243 3.970 20 30 EHEDLO Fc1cc(F)c(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1F ZINC000896227361 1025260395 /nfs/dbraw/zinc/26/03/95/1025260395.db2.gz MIWIKTVKUBYPED-LBPRGKRZSA-N 1 2 327.243 3.970 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CC)c1ccccc1)Cc1ccc(OC)cc1 ZINC000515781657 1025612760 /nfs/dbraw/zinc/61/27/60/1025612760.db2.gz OMDHYFBQRMIUDO-UHFFFAOYSA-N 1 2 338.451 3.736 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CC)c1ccccc1)Cc1ccc(OC)cc1 ZINC000515781657 1025612771 /nfs/dbraw/zinc/61/27/71/1025612771.db2.gz OMDHYFBQRMIUDO-UHFFFAOYSA-N 1 2 338.451 3.736 20 30 EHEDLO CCC(CC)C[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nn1 ZINC001167558571 1025682149 /nfs/dbraw/zinc/68/21/49/1025682149.db2.gz PBLQGAOORHAWOL-UHFFFAOYSA-N 1 2 344.381 3.570 20 30 EHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nn1 ZINC001167558571 1025682157 /nfs/dbraw/zinc/68/21/57/1025682157.db2.gz PBLQGAOORHAWOL-UHFFFAOYSA-N 1 2 344.381 3.570 20 30 EHEDLO OC1(C(F)F)CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000347224581 1025689006 /nfs/dbraw/zinc/68/90/06/1025689006.db2.gz LLLUALLMWBEFNB-UHFFFAOYSA-N 1 2 345.258 3.576 20 30 EHEDLO O[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000425544131 1025705521 /nfs/dbraw/zinc/70/55/21/1025705521.db2.gz DEDOHMWPEDBJLL-RTBURBONSA-N 1 2 329.802 3.639 20 30 EHEDLO O[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000425544131 1025705528 /nfs/dbraw/zinc/70/55/28/1025705528.db2.gz DEDOHMWPEDBJLL-RTBURBONSA-N 1 2 329.802 3.639 20 30 EHEDLO N#Cc1cccc(Cl)c1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000521918294 1025771409 /nfs/dbraw/zinc/77/14/09/1025771409.db2.gz HBHNKULJRHRBJW-UHFFFAOYSA-N 1 2 333.863 3.659 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000304341708 1026188089 /nfs/dbraw/zinc/18/80/89/1026188089.db2.gz YXLACNVFICQVIL-ATZDWAIDSA-N 1 2 342.389 3.770 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000304341708 1026188094 /nfs/dbraw/zinc/18/80/94/1026188094.db2.gz YXLACNVFICQVIL-ATZDWAIDSA-N 1 2 342.389 3.770 20 30 EHEDLO C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(Br)cc(F)c1O ZINC000840786631 1026233382 /nfs/dbraw/zinc/23/33/82/1026233382.db2.gz AVENWDNFTTXIHI-VIFPVBQESA-N 1 2 329.213 3.884 20 30 EHEDLO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000934471938 1026285480 /nfs/dbraw/zinc/28/54/80/1026285480.db2.gz WUHBWUYARBKNOI-JTQLQIEISA-N 1 2 340.246 3.711 20 30 EHEDLO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000934471938 1026285492 /nfs/dbraw/zinc/28/54/92/1026285492.db2.gz WUHBWUYARBKNOI-JTQLQIEISA-N 1 2 340.246 3.711 20 30 EHEDLO C#CCOc1cc(F)ccc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000783567594 1026508797 /nfs/dbraw/zinc/50/87/97/1026508797.db2.gz UDNGROUPADQYFL-UHFFFAOYSA-N 1 2 335.382 3.695 20 30 EHEDLO C=CCCO[C@@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277707578 1026642430 /nfs/dbraw/zinc/64/24/30/1026642430.db2.gz NHWFERSWRPSODS-HNNXBMFYSA-N 1 2 339.439 3.806 20 30 EHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCc3ccsc3C2)c2ccccc21 ZINC000132970395 1026668423 /nfs/dbraw/zinc/66/84/23/1026668423.db2.gz CPTWYJOITXCQLP-UHFFFAOYSA-N 1 2 349.459 3.857 20 30 EHEDLO N#CCCn1cc(C(=O)C[N@H+]2CCc3ccsc3C2)c2ccccc21 ZINC000132970395 1026668434 /nfs/dbraw/zinc/66/84/34/1026668434.db2.gz CPTWYJOITXCQLP-UHFFFAOYSA-N 1 2 349.459 3.857 20 30 EHEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000582595143 1026684700 /nfs/dbraw/zinc/68/47/00/1026684700.db2.gz VBXXIVIZSIUHEF-MOPGFXCFSA-N 1 2 335.455 3.965 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC)cc1 ZINC000054272046 1026975227 /nfs/dbraw/zinc/97/52/27/1026975227.db2.gz GPHSFLHLMGUGJZ-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccc(OC)cc1 ZINC000054272046 1026975240 /nfs/dbraw/zinc/97/52/40/1026975240.db2.gz GPHSFLHLMGUGJZ-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046518914 1026985128 /nfs/dbraw/zinc/98/51/28/1026985128.db2.gz ICEQDTBLKAWEBX-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1c(Cl)cccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046518914 1026985134 /nfs/dbraw/zinc/98/51/34/1026985134.db2.gz ICEQDTBLKAWEBX-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(CNc2nc(C)[nH+]c3c2CCCC3)c1 ZINC000302061385 1027039696 /nfs/dbraw/zinc/03/96/96/1027039696.db2.gz TUJFROQLVKKNFN-INIZCTEOSA-N 1 2 336.439 3.957 20 30 EHEDLO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000502501733 1027794907 /nfs/dbraw/zinc/79/49/07/1027794907.db2.gz SBJCBQFDKUZZHM-UHFFFAOYSA-N 1 2 349.409 3.734 20 30 EHEDLO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000502501733 1027794936 /nfs/dbraw/zinc/79/49/36/1027794936.db2.gz SBJCBQFDKUZZHM-UHFFFAOYSA-N 1 2 349.409 3.734 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000347047410 1027804573 /nfs/dbraw/zinc/80/45/73/1027804573.db2.gz HBBRDDWETDIFHQ-QGZVFWFLSA-N 1 2 349.272 3.713 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000347047410 1027804588 /nfs/dbraw/zinc/80/45/88/1027804588.db2.gz HBBRDDWETDIFHQ-QGZVFWFLSA-N 1 2 349.272 3.713 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCc3cccc(Cl)c3)CCO2)c1 ZINC000459367958 1028046501 /nfs/dbraw/zinc/04/65/01/1028046501.db2.gz VUXBYUFIPMJIQP-IBGZPJMESA-N 1 2 326.827 3.828 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCc3cccc(Cl)c3)CCO2)c1 ZINC000459367958 1028046521 /nfs/dbraw/zinc/04/65/21/1028046521.db2.gz VUXBYUFIPMJIQP-IBGZPJMESA-N 1 2 326.827 3.828 20 30 EHEDLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502501676 1028263532 /nfs/dbraw/zinc/26/35/32/1028263532.db2.gz RNZUBBDZBPSWDX-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502501676 1028263547 /nfs/dbraw/zinc/26/35/47/1028263547.db2.gz RNZUBBDZBPSWDX-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO N#Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001625982090 1028579247 /nfs/dbraw/zinc/57/92/47/1028579247.db2.gz YNMRCMCKWSJNCK-UHFFFAOYSA-N 1 2 327.347 3.682 20 30 EHEDLO COc1ccc([C@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C2CC2)cc1 ZINC000459384306 1028896186 /nfs/dbraw/zinc/89/61/86/1028896186.db2.gz IAPZHIMXCZSCGW-LJQANCHMSA-N 1 2 337.379 3.716 20 30 EHEDLO C=CCn1cc(C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)nn1 ZINC000424299729 1028940045 /nfs/dbraw/zinc/94/00/45/1028940045.db2.gz WFANGSSSLRMXGK-LLVKDONJSA-N 1 2 345.497 3.808 20 30 EHEDLO N#Cc1cnccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC001167658588 1029182528 /nfs/dbraw/zinc/18/25/28/1029182528.db2.gz IYQYCXJIAPROCC-LJQANCHMSA-N 1 2 349.459 3.751 20 30 EHEDLO N#Cc1cnccc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC001167658588 1029182541 /nfs/dbraw/zinc/18/25/41/1029182541.db2.gz IYQYCXJIAPROCC-LJQANCHMSA-N 1 2 349.459 3.751 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000505282515 1029437814 /nfs/dbraw/zinc/43/78/14/1029437814.db2.gz APWUPEOGYJMYFQ-KTBYTZPXSA-N 1 2 335.426 3.721 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccsc2)c1C#N ZINC000535979047 1029466213 /nfs/dbraw/zinc/46/62/13/1029466213.db2.gz UHCLXMYUWDEXJP-KRWDZBQOSA-N 1 2 326.421 3.743 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccsc2)c1C#N ZINC000535979047 1029466222 /nfs/dbraw/zinc/46/62/22/1029466222.db2.gz UHCLXMYUWDEXJP-KRWDZBQOSA-N 1 2 326.421 3.743 20 30 EHEDLO CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1cccs1 ZINC000272626859 1029541113 /nfs/dbraw/zinc/54/11/13/1029541113.db2.gz VSVDJMLQJJXZEV-INIZCTEOSA-N 1 2 333.501 3.577 20 30 EHEDLO Cc1cc(C)c(CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c[nH+]1 ZINC000455002050 1029542569 /nfs/dbraw/zinc/54/25/69/1029542569.db2.gz ORPPZXGWNKXDSO-UHFFFAOYSA-N 1 2 338.411 3.679 20 30 EHEDLO Cc1cccc(CCCNc2c(C#N)cnc3c(C)cc(F)cc32)[nH+]1 ZINC000343218174 1029787182 /nfs/dbraw/zinc/78/71/82/1029787182.db2.gz BBHVLRRYVFJPAK-UHFFFAOYSA-N 1 2 334.398 3.724 20 30 EHEDLO Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130324629 1029849954 /nfs/dbraw/zinc/84/99/54/1029849954.db2.gz CQHYEBMETNGJQS-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1cccc(Cl)c1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000130324629 1029849959 /nfs/dbraw/zinc/84/99/59/1029849959.db2.gz CQHYEBMETNGJQS-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000583639299 1030339904 /nfs/dbraw/zinc/33/99/04/1030339904.db2.gz CFNAVBWEDCTTKQ-ZJUUUORDSA-N 1 2 347.768 3.968 20 30 EHEDLO N#CCc1cc[nH+]c(NCc2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000546633979 1030523068 /nfs/dbraw/zinc/52/30/68/1030523068.db2.gz DOYIPOJGBQMLDA-UHFFFAOYSA-N 1 2 339.292 3.840 20 30 EHEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)s3)n2)cc1F ZINC000483655118 1031274547 /nfs/dbraw/zinc/27/45/47/1031274547.db2.gz NLLRVMRDCUVHTE-LLVKDONJSA-N 1 2 342.399 3.968 20 30 EHEDLO C=CCC[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347439366 1031578489 /nfs/dbraw/zinc/57/84/89/1031578489.db2.gz XOEGTCIGIUIWMZ-RBUKOAKNSA-N 1 2 337.467 3.876 20 30 EHEDLO C=C[C@@H](CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000179288222 1031763427 /nfs/dbraw/zinc/76/34/27/1031763427.db2.gz FUKNUNRNIQYDPG-MSOLQXFVSA-N 1 2 337.467 3.561 20 30 EHEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cs1 ZINC000594498518 1033399816 /nfs/dbraw/zinc/39/98/16/1033399816.db2.gz REQFYCPZWOBBEG-ZDUSSCGKSA-N 1 2 329.469 3.941 20 30 EHEDLO C=C1CC[NH+](Cc2csc(-c3ccc(OC)cc3OC)n2)CC1 ZINC000594754346 1033513517 /nfs/dbraw/zinc/51/35/17/1033513517.db2.gz YKRUFZSNCOMREC-UHFFFAOYSA-N 1 2 330.453 3.979 20 30 EHEDLO CC(C)(C)C(F)(F)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000595001466 1033626627 /nfs/dbraw/zinc/62/66/27/1033626627.db2.gz USWDCDYNENPVQX-UHFFFAOYSA-N 1 2 347.413 3.630 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC)c1Cl ZINC000595296781 1033722566 /nfs/dbraw/zinc/72/25/66/1033722566.db2.gz KEPUUKGJYSQBGN-UHFFFAOYSA-N 1 2 344.842 3.869 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC)c1Cl ZINC000595296781 1033722580 /nfs/dbraw/zinc/72/25/80/1033722580.db2.gz KEPUUKGJYSQBGN-UHFFFAOYSA-N 1 2 344.842 3.869 20 30 EHEDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593014272 1033806232 /nfs/dbraw/zinc/80/62/32/1033806232.db2.gz GTRPHACDXSOYCO-GFCCVEGCSA-N 1 2 325.343 3.725 20 30 EHEDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593014272 1033806246 /nfs/dbraw/zinc/80/62/46/1033806246.db2.gz GTRPHACDXSOYCO-GFCCVEGCSA-N 1 2 325.343 3.725 20 30 EHEDLO C[N@@H+]1CC[C@H](N[C@@H](C#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000595475336 1033823446 /nfs/dbraw/zinc/82/34/46/1033823446.db2.gz IISXPOXZYTUQMP-GBESFXJTSA-N 1 2 327.378 3.564 20 30 EHEDLO C[N@H+]1CC[C@H](N[C@@H](C#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000595475336 1033823458 /nfs/dbraw/zinc/82/34/58/1033823458.db2.gz IISXPOXZYTUQMP-GBESFXJTSA-N 1 2 327.378 3.564 20 30 EHEDLO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599261151 1033838592 /nfs/dbraw/zinc/83/85/92/1033838592.db2.gz OHTKXGCCQXXKIN-UHFFFAOYSA-N 1 2 339.464 3.659 20 30 EHEDLO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599261151 1033838607 /nfs/dbraw/zinc/83/86/07/1033838607.db2.gz OHTKXGCCQXXKIN-UHFFFAOYSA-N 1 2 339.464 3.659 20 30 EHEDLO N#CC[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000083206771 1033854568 /nfs/dbraw/zinc/85/45/68/1033854568.db2.gz BLKNKRIHOXHRAQ-UHFFFAOYSA-N 1 2 339.361 3.802 20 30 EHEDLO N#CC[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000083206771 1033854579 /nfs/dbraw/zinc/85/45/79/1033854579.db2.gz BLKNKRIHOXHRAQ-UHFFFAOYSA-N 1 2 339.361 3.802 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616612 1033900578 /nfs/dbraw/zinc/90/05/78/1033900578.db2.gz RZXBQLDNWVUPMC-RYUDHWBXSA-N 1 2 340.254 3.946 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616612 1033900588 /nfs/dbraw/zinc/90/05/88/1033900588.db2.gz RZXBQLDNWVUPMC-RYUDHWBXSA-N 1 2 340.254 3.946 20 30 EHEDLO Cc1cc(C)c(NC(=O)N2CCc3c(CC#N)cccc3C2)c(C)[nH+]1 ZINC000599787541 1034169647 /nfs/dbraw/zinc/16/96/47/1034169647.db2.gz UILDXGQZQPTGFN-UHFFFAOYSA-N 1 2 334.423 3.663 20 30 EHEDLO CC(C)(C#N)C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000612585389 1035077792 /nfs/dbraw/zinc/07/77/92/1035077792.db2.gz AQDMNKPQPGGCNB-UHFFFAOYSA-N 1 2 329.831 3.953 20 30 EHEDLO CC(C)(C)c1ccc(C#N)c(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000613411634 1035802858 /nfs/dbraw/zinc/80/28/58/1035802858.db2.gz JLMQZRFAQGWRNJ-UHFFFAOYSA-N 1 2 335.455 3.727 20 30 EHEDLO CC[NH+](CC)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccsc1 ZINC000032074848 1036100513 /nfs/dbraw/zinc/10/05/13/1036100513.db2.gz LOHCYDAPTCUBMX-VHWUNXFSSA-N 1 2 347.440 3.864 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c1C#N ZINC000535223615 1036211372 /nfs/dbraw/zinc/21/13/72/1036211372.db2.gz BIRDRXRSYXHABG-UHFFFAOYSA-N 1 2 338.382 3.649 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1C#N ZINC000535223615 1036211391 /nfs/dbraw/zinc/21/13/91/1036211391.db2.gz BIRDRXRSYXHABG-UHFFFAOYSA-N 1 2 338.382 3.649 20 30 EHEDLO COCC[N@H+](CCC#N)C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000589162791 1036288146 /nfs/dbraw/zinc/28/81/46/1036288146.db2.gz OLIMIFWDDXBLFJ-SDNWHVSQSA-N 1 2 326.362 3.971 20 30 EHEDLO COCC[N@@H+](CCC#N)C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000589162791 1036288165 /nfs/dbraw/zinc/28/81/65/1036288165.db2.gz OLIMIFWDDXBLFJ-SDNWHVSQSA-N 1 2 326.362 3.971 20 30 EHEDLO N#Cc1ccc(SCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000103078079 1036819735 /nfs/dbraw/zinc/81/97/35/1036819735.db2.gz NUYMHZAZVOUNFL-UHFFFAOYSA-N 1 2 334.404 3.679 20 30 EHEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000541952221 1036888395 /nfs/dbraw/zinc/88/83/95/1036888395.db2.gz LMFYTNHSALYAQX-GJZGRUSLSA-N 1 2 349.434 3.513 20 30 EHEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000541952221 1036888415 /nfs/dbraw/zinc/88/84/15/1036888415.db2.gz LMFYTNHSALYAQX-GJZGRUSLSA-N 1 2 349.434 3.513 20 30 EHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CCCCC1 ZINC000052077413 1037113634 /nfs/dbraw/zinc/11/36/34/1037113634.db2.gz KQQFMVMXAYXWSR-KRWDZBQOSA-N 1 2 345.874 3.820 20 30 EHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)CCCCC1 ZINC000052077413 1037113641 /nfs/dbraw/zinc/11/36/41/1037113641.db2.gz KQQFMVMXAYXWSR-KRWDZBQOSA-N 1 2 345.874 3.820 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1ccc(Cl)cc1 ZINC000491657470 1037607650 /nfs/dbraw/zinc/60/76/50/1037607650.db2.gz UTMWAXWUEKTRPQ-INIZCTEOSA-N 1 2 345.826 3.830 20 30 EHEDLO Cc1[nH+]c(C(C)N=Nc2ccc(Br)cc2Cl)cn1C ZINC000800814392 1037951989 /nfs/dbraw/zinc/95/19/89/1037951989.db2.gz NNYRNYONHIUNGP-UHFFFAOYSA-N 1 2 341.640 3.981 20 30 EHEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000538728431 1038495727 /nfs/dbraw/zinc/49/57/27/1038495727.db2.gz VBMPEYQNELYJRJ-QZTJIDSGSA-N 1 2 338.407 3.728 20 30 EHEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)o1 ZINC000538728431 1038495730 /nfs/dbraw/zinc/49/57/30/1038495730.db2.gz VBMPEYQNELYJRJ-QZTJIDSGSA-N 1 2 338.407 3.728 20 30 EHEDLO C=C[C@H]1CCCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000488310470 1039073686 /nfs/dbraw/zinc/07/36/86/1039073686.db2.gz GMAGQKYYZHMMIU-LPHOPBHVSA-N 1 2 343.471 3.652 20 30 EHEDLO Fc1cccnc1O[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000489026130 1039564034 /nfs/dbraw/zinc/56/40/34/1039564034.db2.gz YAYGKUFKDQNJIN-KRWDZBQOSA-N 1 2 344.817 3.769 20 30 EHEDLO Fc1cccnc1O[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000489026130 1039564056 /nfs/dbraw/zinc/56/40/56/1039564056.db2.gz YAYGKUFKDQNJIN-KRWDZBQOSA-N 1 2 344.817 3.769 20 30 EHEDLO COc1cc(C#N)ccc1OCCOc1cc(C)[nH+]c2ccccc21 ZINC000486204342 1039975357 /nfs/dbraw/zinc/97/53/57/1039975357.db2.gz MWOHLZKRJDFNFV-UHFFFAOYSA-N 1 2 334.375 3.881 20 30 EHEDLO COCC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1scnc1C ZINC000489466415 1040010137 /nfs/dbraw/zinc/01/01/37/1040010137.db2.gz XXCMTQYGAUZCPR-UHFFFAOYSA-N 1 2 334.872 3.605 20 30 EHEDLO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1scnc1C ZINC000489466415 1040010153 /nfs/dbraw/zinc/01/01/53/1040010153.db2.gz XXCMTQYGAUZCPR-UHFFFAOYSA-N 1 2 334.872 3.605 20 30 EHEDLO N#Cc1csc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000554971845 1040013829 /nfs/dbraw/zinc/01/38/29/1040013829.db2.gz COYPQJHWXMJSPG-UHFFFAOYSA-N 1 2 335.436 3.827 20 30 EHEDLO Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000899120499 1040052122 /nfs/dbraw/zinc/05/21/22/1040052122.db2.gz JDTLVZXMLDNCSE-IYARVYRRSA-N 1 2 348.450 3.723 20 30 EHEDLO N#CCCCCC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907808915 1040197317 /nfs/dbraw/zinc/19/73/17/1040197317.db2.gz HSDOZYZNDFZJOT-OAHLLOKOSA-N 1 2 328.460 3.515 20 30 EHEDLO N#CCCCCC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907808915 1040197323 /nfs/dbraw/zinc/19/73/23/1040197323.db2.gz HSDOZYZNDFZJOT-OAHLLOKOSA-N 1 2 328.460 3.515 20 30 EHEDLO N#CCCCOc1cccc(C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000154476881 1040334491 /nfs/dbraw/zinc/33/44/91/1040334491.db2.gz RHBVLUCFRJNJGF-UHFFFAOYSA-N 1 2 349.478 3.687 20 30 EHEDLO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000500192863 1040693745 /nfs/dbraw/zinc/69/37/45/1040693745.db2.gz YWJCZGWVJAWRMN-LJQANCHMSA-N 1 2 339.464 3.612 20 30 EHEDLO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000500192863 1040693756 /nfs/dbraw/zinc/69/37/56/1040693756.db2.gz YWJCZGWVJAWRMN-LJQANCHMSA-N 1 2 339.464 3.612 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC=C(c3ccco3)C2)c1C#N ZINC000586773577 1040992868 /nfs/dbraw/zinc/99/28/68/1040992868.db2.gz BVEBNYRIJACTFM-UHFFFAOYSA-N 1 2 344.418 3.935 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC=C(c3ccco3)C2)c1C#N ZINC000586773577 1040992893 /nfs/dbraw/zinc/99/28/93/1040992893.db2.gz BVEBNYRIJACTFM-UHFFFAOYSA-N 1 2 344.418 3.935 20 30 EHEDLO COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)oc1C ZINC000293500268 1041609717 /nfs/dbraw/zinc/60/97/17/1041609717.db2.gz ZQHALGCRLWHFEV-XCRHUMRWSA-N 1 2 338.407 3.675 20 30 EHEDLO COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)oc1C ZINC000293500268 1041609723 /nfs/dbraw/zinc/60/97/23/1041609723.db2.gz ZQHALGCRLWHFEV-XCRHUMRWSA-N 1 2 338.407 3.675 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)[C@H](C)COC ZINC000661241670 1042023324 /nfs/dbraw/zinc/02/33/24/1042023324.db2.gz DBDQMSLEBYCKNX-CYBMUJFWSA-N 1 2 348.468 3.547 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)[C@H](C)COC ZINC000661241670 1042023330 /nfs/dbraw/zinc/02/33/30/1042023330.db2.gz DBDQMSLEBYCKNX-CYBMUJFWSA-N 1 2 348.468 3.547 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@H](C)COC ZINC000661244783 1042025901 /nfs/dbraw/zinc/02/59/01/1042025901.db2.gz YFFNOHQSBVWTIC-QGZVFWFLSA-N 1 2 338.451 3.815 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@H](C)COC ZINC000661244783 1042025910 /nfs/dbraw/zinc/02/59/10/1042025910.db2.gz YFFNOHQSBVWTIC-QGZVFWFLSA-N 1 2 338.451 3.815 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCCCC1 ZINC000008119007 1042844956 /nfs/dbraw/zinc/84/49/56/1042844956.db2.gz HHSYWLAOVGXVBB-ZDUSSCGKSA-N 1 2 331.485 3.702 20 30 EHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094168471 1042868894 /nfs/dbraw/zinc/86/88/94/1042868894.db2.gz MGMKJKPNVHAFIU-GOSISDBHSA-N 1 2 342.393 3.505 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000076153903 1125546531 /nfs/dbraw/zinc/54/65/31/1125546531.db2.gz OIZJWKJEIGBOEG-REHUZNOOSA-N 1 2 338.476 3.566 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000076153903 1125546536 /nfs/dbraw/zinc/54/65/36/1125546536.db2.gz OIZJWKJEIGBOEG-REHUZNOOSA-N 1 2 338.476 3.566 20 30 EHEDLO C=CC[N@@H+](Cc1cn(C)nc1C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000179901768 1127098763 /nfs/dbraw/zinc/09/87/63/1127098763.db2.gz ZVZRGTBTUVVHHE-UHFFFAOYSA-N 1 2 342.443 3.814 20 30 EHEDLO C=CC[N@H+](Cc1cn(C)nc1C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000179901768 1127098765 /nfs/dbraw/zinc/09/87/65/1127098765.db2.gz ZVZRGTBTUVVHHE-UHFFFAOYSA-N 1 2 342.443 3.814 20 30 EHEDLO N#Cc1cc(-c2ccccc2)oc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212352250 1127909598 /nfs/dbraw/zinc/90/95/98/1127909598.db2.gz QUIZTMXWPQXNGT-UHFFFAOYSA-N 1 2 346.390 3.793 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1csc(C#N)c1)c1nc(-c2ccncc2)no1 ZINC000921668415 1128447760 /nfs/dbraw/zinc/44/77/60/1128447760.db2.gz ZBFDKZVXOCKMPE-OAHLLOKOSA-N 1 2 339.424 3.552 20 30 EHEDLO N#Cc1cc(Cl)ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301184154 1128577853 /nfs/dbraw/zinc/57/78/53/1128577853.db2.gz IVEXEQNGCQUNTO-IBGZPJMESA-N 1 2 341.842 3.697 20 30 EHEDLO COc1ccccc1C[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000301405707 1128590236 /nfs/dbraw/zinc/59/02/36/1128590236.db2.gz LOPSEKLBQIOSRG-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO COC(=O)C[N@H+](CCc1ccccc1)CCC1(C#N)CCCCC1 ZINC001168666640 1128746500 /nfs/dbraw/zinc/74/65/00/1128746500.db2.gz KWSIQLCDNONFJA-UHFFFAOYSA-N 1 2 328.456 3.568 20 30 EHEDLO COC(=O)C[N@@H+](CCc1ccccc1)CCC1(C#N)CCCCC1 ZINC001168666640 1128746503 /nfs/dbraw/zinc/74/65/03/1128746503.db2.gz KWSIQLCDNONFJA-UHFFFAOYSA-N 1 2 328.456 3.568 20 30 EHEDLO Cc1ccc(C)c(OCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761760657 1120889397 /nfs/dbraw/zinc/88/93/97/1120889397.db2.gz KVYGOIXSFJWMJX-NRFANRHFSA-N 1 2 336.435 3.627 20 30 EHEDLO Cc1ccc(C)c(OCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761760657 1120889399 /nfs/dbraw/zinc/88/93/99/1120889399.db2.gz KVYGOIXSFJWMJX-NRFANRHFSA-N 1 2 336.435 3.627 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CCCC)C2CC2)c1=S ZINC000914784048 1120985064 /nfs/dbraw/zinc/98/50/64/1120985064.db2.gz UFBYSEFYOWGDRC-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CCCC)C2CC2)c1=S ZINC000914784048 1120985069 /nfs/dbraw/zinc/98/50/69/1120985069.db2.gz UFBYSEFYOWGDRC-UHFFFAOYSA-N 1 2 343.500 3.884 20 30 EHEDLO O=[N+]([O-])c1cc(C=[NH+]OC/C(Cl)=C/Cl)ccc1N1CCCC1 ZINC000763172785 1121778163 /nfs/dbraw/zinc/77/81/63/1121778163.db2.gz ZNQBQYASHUEZGZ-DZQWHFOVSA-N 1 2 344.198 3.865 20 30 EHEDLO C=CCN(C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000916708441 1122327145 /nfs/dbraw/zinc/32/71/45/1122327145.db2.gz AATUORSLARKNNY-IAGOWNOFSA-N 1 2 345.487 3.724 20 30 EHEDLO C#CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCc2ccccc21 ZINC000917117470 1122511585 /nfs/dbraw/zinc/51/15/85/1122511585.db2.gz NIWKBPSEHMUALL-LJQANCHMSA-N 1 2 336.391 3.726 20 30 EHEDLO C#CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCc2ccccc21 ZINC000917117470 1122511587 /nfs/dbraw/zinc/51/15/87/1122511587.db2.gz NIWKBPSEHMUALL-LJQANCHMSA-N 1 2 336.391 3.726 20 30 EHEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000497473641 1122560218 /nfs/dbraw/zinc/56/02/18/1122560218.db2.gz LSLSVPFZGTYTGG-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000497473641 1122560221 /nfs/dbraw/zinc/56/02/21/1122560221.db2.gz LSLSVPFZGTYTGG-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(-c2ccccc2)nc1 ZINC000556831292 1123141632 /nfs/dbraw/zinc/14/16/32/1123141632.db2.gz JQLIXZXLIRLIAA-UHFFFAOYSA-N 1 2 349.434 3.807 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(-c2ccccc2)nc1 ZINC000556831292 1123141635 /nfs/dbraw/zinc/14/16/35/1123141635.db2.gz JQLIXZXLIRLIAA-UHFFFAOYSA-N 1 2 349.434 3.807 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000616135542 1123949101 /nfs/dbraw/zinc/94/91/01/1123949101.db2.gz YOKGSWIYONJOKU-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000616135542 1123949104 /nfs/dbraw/zinc/94/91/04/1123949104.db2.gz YOKGSWIYONJOKU-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(F)c1 ZINC000619068837 1125271224 /nfs/dbraw/zinc/27/12/24/1125271224.db2.gz WRLKNERPNMPTBE-UHFFFAOYSA-N 1 2 334.398 3.501 20 30 EHEDLO COC(=O)[C@H](c1ccccc1C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000466221980 1129314874 /nfs/dbraw/zinc/31/48/74/1129314874.db2.gz CMTWRKJGXMCAJK-NRFANRHFSA-N 1 2 346.430 3.870 20 30 EHEDLO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000466221980 1129314878 /nfs/dbraw/zinc/31/48/78/1129314878.db2.gz CMTWRKJGXMCAJK-NRFANRHFSA-N 1 2 346.430 3.870 20 30 EHEDLO C[C@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000274686419 1129530795 /nfs/dbraw/zinc/53/07/95/1129530795.db2.gz KFCZOOOGFOQQAC-BLLLJJGKSA-N 1 2 334.345 3.861 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000735920709 1131391519 /nfs/dbraw/zinc/39/15/19/1131391519.db2.gz YTTNUOPUZYMQNY-SFHVURJKSA-N 1 2 340.398 3.839 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000735920709 1131391523 /nfs/dbraw/zinc/39/15/23/1131391523.db2.gz YTTNUOPUZYMQNY-SFHVURJKSA-N 1 2 340.398 3.839 20 30 EHEDLO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000073986979 1129879990 /nfs/dbraw/zinc/87/99/90/1129879990.db2.gz ZHFRIUIYXJVSDI-MRXNPFEDSA-N 1 2 325.437 3.704 20 30 EHEDLO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)cc1 ZINC000073986979 1129879992 /nfs/dbraw/zinc/87/99/92/1129879992.db2.gz ZHFRIUIYXJVSDI-MRXNPFEDSA-N 1 2 325.437 3.704 20 30 EHEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)n1 ZINC000543545692 1129958396 /nfs/dbraw/zinc/95/83/96/1129958396.db2.gz QDOALLCIBHFCIJ-CQSZACIVSA-N 1 2 348.406 3.662 20 30 EHEDLO CC[N@H+](CC(=O)Nc1ccccc1C(C)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000171629374 1130074750 /nfs/dbraw/zinc/07/47/50/1130074750.db2.gz VEMAIQIIFJVVJW-OAHLLOKOSA-N 1 2 349.434 3.782 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1ccccc1C(C)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000171629374 1130074757 /nfs/dbraw/zinc/07/47/57/1130074757.db2.gz VEMAIQIIFJVVJW-OAHLLOKOSA-N 1 2 349.434 3.782 20 30 EHEDLO Fc1cccc(N2CCCC2)c1C=[NH+][N-]c1cc[nH+]c2ccccc12 ZINC000730148070 1130679404 /nfs/dbraw/zinc/67/94/04/1130679404.db2.gz NKGVMVWUAIEZGV-UHFFFAOYSA-N 1 2 334.398 3.842 20 30 EHEDLO C=CCOc1ccc(/C=C\C(=O)Nc2ccc3[nH+]ccn3c2)cc1OC ZINC000733872352 1131087052 /nfs/dbraw/zinc/08/70/52/1131087052.db2.gz NYPRZLGUFCEIQO-UITAMQMPSA-N 1 2 349.390 3.560 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCc1ccc(Cl)cc1 ZINC000739914810 1131516773 /nfs/dbraw/zinc/51/67/73/1131516773.db2.gz LDKGGGLZPIQHSC-GOSISDBHSA-N 1 2 342.826 3.600 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000739914810 1131516778 /nfs/dbraw/zinc/51/67/78/1131516778.db2.gz LDKGGGLZPIQHSC-GOSISDBHSA-N 1 2 342.826 3.600 20 30 EHEDLO COc1cccc(N[NH+]=C(C)c2c(F)cccc2N2CCOCC2)c1 ZINC000741162745 1131581906 /nfs/dbraw/zinc/58/19/06/1131581906.db2.gz DESFBGZUQRYPBD-UHFFFAOYSA-N 1 2 343.402 3.507 20 30 EHEDLO COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@@H](C)CCCC#N ZINC001172487711 1131756278 /nfs/dbraw/zinc/75/62/78/1131756278.db2.gz IVWLKUCNMVNCSN-NHYWBVRUSA-N 1 2 343.254 3.749 20 30 EHEDLO C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172847980 1131869670 /nfs/dbraw/zinc/86/96/70/1131869670.db2.gz QWUCPWMQIJVUHW-BMIGLBTASA-N 1 2 325.836 3.684 20 30 EHEDLO C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172847980 1131869678 /nfs/dbraw/zinc/86/96/78/1131869678.db2.gz QWUCPWMQIJVUHW-BMIGLBTASA-N 1 2 325.836 3.684 20 30 EHEDLO N#Cc1cnn(-c2ccccc2)c1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001212694382 1131923115 /nfs/dbraw/zinc/92/31/15/1131923115.db2.gz YYSPNRHJZJPESL-UHFFFAOYSA-N 1 2 340.390 3.732 20 30 EHEDLO O=C1C=C2C[N@H+](C3CCC(Oc4ccccc4)CC3)CC[C@H]2S1 ZINC001173202822 1131999233 /nfs/dbraw/zinc/99/92/33/1131999233.db2.gz XZFZCKMSSNHICX-VMWRSERWSA-N 1 2 329.465 3.651 20 30 EHEDLO O=C1C=C2C[N@@H+](C3CCC(Oc4ccccc4)CC3)CC[C@H]2S1 ZINC001173202822 1131999239 /nfs/dbraw/zinc/99/92/39/1131999239.db2.gz XZFZCKMSSNHICX-VMWRSERWSA-N 1 2 329.465 3.651 20 30 EHEDLO C[C@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173334607 1132052035 /nfs/dbraw/zinc/05/20/35/1132052035.db2.gz ZSIKBOJTRFITOQ-HJOIGYKYSA-N 1 2 342.487 3.659 20 30 EHEDLO C[C@H]1c2ncc(COCC3CC3)n2CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173334607 1132052040 /nfs/dbraw/zinc/05/20/40/1132052040.db2.gz ZSIKBOJTRFITOQ-HJOIGYKYSA-N 1 2 342.487 3.659 20 30 EHEDLO CC(C)(C)OC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC001173590009 1132096801 /nfs/dbraw/zinc/09/68/01/1132096801.db2.gz RDVKFMDNDDVPOZ-HVEKOLDVSA-N 1 2 338.492 3.574 20 30 EHEDLO C#C[C@H]([NH2+]Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@H]1CCCO1 ZINC001169494219 1132770353 /nfs/dbraw/zinc/77/03/53/1132770353.db2.gz FVAFRBDMPWDOJN-DZGCQCFKSA-N 1 2 332.513 3.664 20 30 EHEDLO C=CC[C@@H](NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC001176973395 1133017630 /nfs/dbraw/zinc/01/76/30/1133017630.db2.gz JCJVILHETTXZLA-RBUKOAKNSA-N 1 2 335.451 3.732 20 30 EHEDLO CCCOc1ccc2c(c1)C(=O)/C(=C\c1cccc3[nH+]ccn31)CO2 ZINC000769606122 1133320909 /nfs/dbraw/zinc/32/09/09/1133320909.db2.gz BJHVKZVXUKCAEA-KAMYIIQDSA-N 1 2 334.375 3.782 20 30 EHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ncc(C(=O)OC)s1 ZINC001180225676 1133347111 /nfs/dbraw/zinc/34/71/11/1133347111.db2.gz WALGYIIMTIMURD-ZDUSSCGKSA-N 1 2 343.452 3.775 20 30 EHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ncc(C(=O)OC)s1 ZINC001180225676 1133347118 /nfs/dbraw/zinc/34/71/18/1133347118.db2.gz WALGYIIMTIMURD-ZDUSSCGKSA-N 1 2 343.452 3.775 20 30 EHEDLO CC(C)CCn1cccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770392106 1133422353 /nfs/dbraw/zinc/42/23/53/1133422353.db2.gz QTWFGEYEZMHPNO-OAQYLSRUSA-N 1 2 337.467 3.979 20 30 EHEDLO CC(C)CCn1cccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770392106 1133422357 /nfs/dbraw/zinc/42/23/57/1133422357.db2.gz QTWFGEYEZMHPNO-OAQYLSRUSA-N 1 2 337.467 3.979 20 30 EHEDLO CCCCCCC[C@@H](C)C(=O)Nc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001181111331 1133452649 /nfs/dbraw/zinc/45/26/49/1133452649.db2.gz BAKBNARNMJIIOA-GFCCVEGCSA-N 1 2 346.431 3.680 20 30 EHEDLO COC(=O)c1ccc(N[NH+]=C2CCCNc3ccccc32)c(OC)c1 ZINC000774395822 1133670659 /nfs/dbraw/zinc/67/06/59/1133670659.db2.gz USEIKRLZMGDWMZ-UHFFFAOYSA-N 1 2 339.395 3.504 20 30 EHEDLO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000789449610 1134275938 /nfs/dbraw/zinc/27/59/38/1134275938.db2.gz IAIANINAKPHHBJ-LXTVHRRPSA-N 1 2 341.480 3.839 20 30 EHEDLO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000789449610 1134275945 /nfs/dbraw/zinc/27/59/45/1134275945.db2.gz IAIANINAKPHHBJ-LXTVHRRPSA-N 1 2 341.480 3.839 20 30 EHEDLO C#CC[C@@H]([NH2+]Cc1nc2sc(C)c(C)c2c(N)n1)c1ccccc1 ZINC000775405370 1134736392 /nfs/dbraw/zinc/73/63/92/1134736392.db2.gz VOUPHOHVENEBAB-OAHLLOKOSA-N 1 2 336.464 3.745 20 30 EHEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001192305184 1135002401 /nfs/dbraw/zinc/00/24/01/1135002401.db2.gz WIDLAUTYSMSCRK-ZIAGYGMSSA-N 1 2 337.398 3.644 20 30 EHEDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001192305184 1135002405 /nfs/dbraw/zinc/00/24/05/1135002405.db2.gz WIDLAUTYSMSCRK-ZIAGYGMSSA-N 1 2 337.398 3.644 20 30 EHEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000806449952 1135444063 /nfs/dbraw/zinc/44/40/63/1135444063.db2.gz FOHGEMSTIGJTCU-GOSISDBHSA-N 1 2 330.391 3.636 20 30 EHEDLO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC2(CCC2)O1 ZINC001195758962 1135461060 /nfs/dbraw/zinc/46/10/60/1135461060.db2.gz YXQURYRQDJTETR-AWEZNQCLSA-N 1 2 339.357 3.580 20 30 EHEDLO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC2(CCC2)O1 ZINC001195758962 1135461063 /nfs/dbraw/zinc/46/10/63/1135461063.db2.gz YXQURYRQDJTETR-AWEZNQCLSA-N 1 2 339.357 3.580 20 30 EHEDLO C=C(C)C(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180945 1135577550 /nfs/dbraw/zinc/57/75/50/1135577550.db2.gz JSBLOHQBUWCUHJ-KRWDZBQOSA-N 1 2 341.455 3.805 20 30 EHEDLO C=C(C)C(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180945 1135577555 /nfs/dbraw/zinc/57/75/55/1135577555.db2.gz JSBLOHQBUWCUHJ-KRWDZBQOSA-N 1 2 341.455 3.805 20 30 EHEDLO C#C[C@H]([NH2+][C@H](C)c1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 ZINC000775791084 1135743679 /nfs/dbraw/zinc/74/36/79/1135743679.db2.gz KYJPNVJXIWKKQQ-UHOFOFEASA-N 1 2 330.815 3.826 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[N@H+](CC2(C#N)CC2)C2(CCCCC2)C1 ZINC000775988618 1135911533 /nfs/dbraw/zinc/91/15/33/1135911533.db2.gz JUXVIZUVWVPOIG-UHFFFAOYSA-N 1 2 333.476 3.546 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CC2(C#N)CC2)C2(CCCCC2)C1 ZINC000775988618 1135911535 /nfs/dbraw/zinc/91/15/35/1135911535.db2.gz JUXVIZUVWVPOIG-UHFFFAOYSA-N 1 2 333.476 3.546 20 30 EHEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC001201927887 1136073076 /nfs/dbraw/zinc/07/30/76/1136073076.db2.gz RWMSCCCFOLTUJG-QGZVFWFLSA-N 1 2 340.814 3.520 20 30 EHEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC001201927887 1136073079 /nfs/dbraw/zinc/07/30/79/1136073079.db2.gz RWMSCCCFOLTUJG-QGZVFWFLSA-N 1 2 340.814 3.520 20 30 EHEDLO COc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cc1O ZINC000811696877 1136126598 /nfs/dbraw/zinc/12/65/98/1136126598.db2.gz HLANKAZEKRVYOL-ARJAWSKDSA-N 1 2 326.377 3.544 20 30 EHEDLO C#C[C@@](C)(CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000852100568 1136433231 /nfs/dbraw/zinc/43/32/31/1136433231.db2.gz IMWFPTBHPXBNFD-SFHVURJKSA-N 1 2 345.443 3.858 20 30 EHEDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000852551041 1136466017 /nfs/dbraw/zinc/46/60/17/1136466017.db2.gz ODZWNHOFLZYNNE-UHFFFAOYSA-N 1 2 342.826 3.809 20 30 EHEDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C2 ZINC000852551041 1136466020 /nfs/dbraw/zinc/46/60/20/1136466020.db2.gz ODZWNHOFLZYNNE-UHFFFAOYSA-N 1 2 342.826 3.809 20 30 EHEDLO CCc1ccc(C#CC(=O)Nc2nc(C[NH+](CC)CC)cs2)cc1 ZINC000814613672 1136484333 /nfs/dbraw/zinc/48/43/33/1136484333.db2.gz RUDPOSONESAZRH-UHFFFAOYSA-N 1 2 341.480 3.538 20 30 EHEDLO CC(=[NH+]Nc1cncc(Br)c1)c1cc(F)c(N)c(F)c1 ZINC000814886465 1136520243 /nfs/dbraw/zinc/52/02/43/1136520243.db2.gz CNSHMTURHXUYOF-UHFFFAOYSA-N 1 2 341.159 3.541 20 30 EHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1ccc(Cl)c(N)c1 ZINC000814904562 1136522978 /nfs/dbraw/zinc/52/29/78/1136522978.db2.gz ORECWKQPGIHZCT-UHFFFAOYSA-N 1 2 339.624 3.916 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627585 1136550597 /nfs/dbraw/zinc/55/05/97/1136550597.db2.gz DLVMHDDENSPRHZ-AWEZNQCLSA-N 1 2 343.500 3.597 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627585 1136550599 /nfs/dbraw/zinc/55/05/99/1136550599.db2.gz DLVMHDDENSPRHZ-AWEZNQCLSA-N 1 2 343.500 3.597 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1c(OC)cccc1OC ZINC000853790591 1136563944 /nfs/dbraw/zinc/56/39/44/1136563944.db2.gz TVNPTIFMIZBAHK-UHFFFAOYSA-N 1 2 326.396 3.503 20 30 EHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOCC23CC3)c1 ZINC000338996866 1136791965 /nfs/dbraw/zinc/79/19/65/1136791965.db2.gz IPMQBQZIYDNHCP-UHFFFAOYSA-N 1 2 334.419 3.502 20 30 EHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOCC23CC3)c1 ZINC000338996866 1136791968 /nfs/dbraw/zinc/79/19/68/1136791968.db2.gz IPMQBQZIYDNHCP-UHFFFAOYSA-N 1 2 334.419 3.502 20 30 EHEDLO CCCCCCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000858110920 1136941032 /nfs/dbraw/zinc/94/10/32/1136941032.db2.gz MTBUHSKGJFSQCM-GOSISDBHSA-N 1 2 342.487 3.974 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(OC)cc1OC ZINC000820634272 1136999088 /nfs/dbraw/zinc/99/90/88/1136999088.db2.gz MHZMWGTXBVMKDZ-UHFFFAOYSA-N 1 2 326.396 3.503 20 30 EHEDLO C[N@H+](CCC1(C#N)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000859384404 1137013413 /nfs/dbraw/zinc/01/34/13/1137013413.db2.gz FYPJTBKRAYFHNL-UHFFFAOYSA-N 1 2 327.472 3.824 20 30 EHEDLO C[N@@H+](CCC1(C#N)CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000859384404 1137013415 /nfs/dbraw/zinc/01/34/15/1137013415.db2.gz FYPJTBKRAYFHNL-UHFFFAOYSA-N 1 2 327.472 3.824 20 30 EHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cccnc2-c2ccccc2)cc1 ZINC001170984757 1137055321 /nfs/dbraw/zinc/05/53/21/1137055321.db2.gz ZGDNKKNSWKKGHE-UHFFFAOYSA-N 1 2 331.375 3.572 20 30 EHEDLO FC(F)(F)c1cc(N[NH+]=Cc2ccc(N3CCCC3)nc2)ccn1 ZINC000863182101 1137173019 /nfs/dbraw/zinc/17/30/19/1137173019.db2.gz ZZQVYWZCDFIICL-UHFFFAOYSA-N 1 2 335.333 3.542 20 30 EHEDLO CCCc1noc([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730873 1137194559 /nfs/dbraw/zinc/19/45/59/1137194559.db2.gz CVYXVZTZDJMXJX-CQSZACIVSA-N 1 2 344.846 3.927 20 30 EHEDLO CCCc1noc([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730873 1137194561 /nfs/dbraw/zinc/19/45/61/1137194561.db2.gz CVYXVZTZDJMXJX-CQSZACIVSA-N 1 2 344.846 3.927 20 30 EHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001143731677 1137194830 /nfs/dbraw/zinc/19/48/30/1137194830.db2.gz ALFUUPNMNOYLMB-MRXNPFEDSA-N 1 2 327.815 3.650 20 30 EHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001143731677 1137194832 /nfs/dbraw/zinc/19/48/32/1137194832.db2.gz ALFUUPNMNOYLMB-MRXNPFEDSA-N 1 2 327.815 3.650 20 30 EHEDLO Cc1c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cccc1C(F)(F)F ZINC001143922614 1137215640 /nfs/dbraw/zinc/21/56/40/1137215640.db2.gz NFBXVMQMXGCVSX-AWEZNQCLSA-N 1 2 327.371 3.788 20 30 EHEDLO Cc1c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cccc1C(F)(F)F ZINC001143922614 1137215641 /nfs/dbraw/zinc/21/56/41/1137215641.db2.gz NFBXVMQMXGCVSX-AWEZNQCLSA-N 1 2 327.371 3.788 20 30 EHEDLO Cn1c(CC#N)nn(C[N@H+](C)C2CCC(C(C)(C)C)CC2)c1=S ZINC000794622870 1137221654 /nfs/dbraw/zinc/22/16/54/1137221654.db2.gz HRPAXNLDQAEGQG-UHFFFAOYSA-N 1 2 335.521 3.511 20 30 EHEDLO Cn1c(CC#N)nn(C[N@@H+](C)C2CCC(C(C)(C)C)CC2)c1=S ZINC000794622870 1137221656 /nfs/dbraw/zinc/22/16/56/1137221656.db2.gz HRPAXNLDQAEGQG-UHFFFAOYSA-N 1 2 335.521 3.511 20 30 EHEDLO Cc1ccc([C@H]2CCCC[N@H+]2Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794634834 1137222231 /nfs/dbraw/zinc/22/22/31/1137222231.db2.gz UKYQVQNKNFVDRT-MRXNPFEDSA-N 1 2 341.484 3.510 20 30 EHEDLO Cc1ccc([C@H]2CCCC[N@@H+]2Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794634834 1137222233 /nfs/dbraw/zinc/22/22/33/1137222233.db2.gz UKYQVQNKNFVDRT-MRXNPFEDSA-N 1 2 341.484 3.510 20 30 EHEDLO C=C[C@H](OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(C)(C)C ZINC000805962002 1137264184 /nfs/dbraw/zinc/26/41/84/1137264184.db2.gz AGZGZERWWAOENH-INIZCTEOSA-N 1 2 336.501 3.807 20 30 EHEDLO CC[C@@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000865291236 1137274773 /nfs/dbraw/zinc/27/47/73/1137274773.db2.gz UTVXBAQCUAMOMM-KGLIPLIRSA-N 1 2 327.453 3.737 20 30 EHEDLO CC[C@@H]1CCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000865291236 1137274775 /nfs/dbraw/zinc/27/47/75/1137274775.db2.gz UTVXBAQCUAMOMM-KGLIPLIRSA-N 1 2 327.453 3.737 20 30 EHEDLO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001144520984 1137303016 /nfs/dbraw/zinc/30/30/16/1137303016.db2.gz JUNSOQCRVLTJRG-NSHDSACASA-N 1 2 330.247 3.824 20 30 EHEDLO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001144520984 1137303018 /nfs/dbraw/zinc/30/30/18/1137303018.db2.gz JUNSOQCRVLTJRG-NSHDSACASA-N 1 2 330.247 3.824 20 30 EHEDLO Oc1cc(F)c(C[NH+]2CCC(C#Cc3ccccc3)CC2)cc1F ZINC001144664195 1137324872 /nfs/dbraw/zinc/32/48/72/1137324872.db2.gz ZEUOAFOMRQTJJB-UHFFFAOYSA-N 1 2 327.374 3.934 20 30 EHEDLO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1nc(-c2ccccc2)no1 ZINC000866311649 1137344606 /nfs/dbraw/zinc/34/46/06/1137344606.db2.gz JZQGBHPPEJWZEM-KGLIPLIRSA-N 1 2 348.406 3.768 20 30 EHEDLO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3cccc(C#N)c3O)c21 ZINC000866336301 1137347122 /nfs/dbraw/zinc/34/71/22/1137347122.db2.gz JMOKKTUFAQHSBP-CYBMUJFWSA-N 1 2 335.407 3.647 20 30 EHEDLO C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866341498 1137347406 /nfs/dbraw/zinc/34/74/06/1137347406.db2.gz YIJHWPTYQJATIA-SBGRQLAYSA-N 1 2 336.435 3.745 20 30 EHEDLO C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1cccc(C#N)c1O)Cc1ccccc1 ZINC000866345698 1137347875 /nfs/dbraw/zinc/34/78/75/1137347875.db2.gz BOCXYWRVPSTUMZ-GCKMJXCFSA-N 1 2 338.451 3.544 20 30 EHEDLO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866362901 1137349413 /nfs/dbraw/zinc/34/94/13/1137349413.db2.gz INOPHJFPEULZQY-ZIAGYGMSSA-N 1 2 347.459 3.608 20 30 EHEDLO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cccc(C#N)c1O ZINC000866363262 1137349575 /nfs/dbraw/zinc/34/95/75/1137349575.db2.gz IJLNHXOBOKKYPW-GJZGRUSLSA-N 1 2 339.414 3.580 20 30 EHEDLO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1cccc(C#N)c1O ZINC000866363260 1137349613 /nfs/dbraw/zinc/34/96/13/1137349613.db2.gz IJLNHXOBOKKYPW-CABCVRRESA-N 1 2 339.414 3.580 20 30 EHEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000847032326 1137383612 /nfs/dbraw/zinc/38/36/12/1137383612.db2.gz SMRSQCRFAMUQEP-NEPJUHHUSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000847032326 1137383613 /nfs/dbraw/zinc/38/36/13/1137383613.db2.gz SMRSQCRFAMUQEP-NEPJUHHUSA-N 1 2 325.239 3.666 20 30 EHEDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001171778177 1137510098 /nfs/dbraw/zinc/51/00/98/1137510098.db2.gz JUTQBSGHMVQPKN-SJORKVTESA-N 1 2 325.374 3.946 20 30 EHEDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001171778177 1137510100 /nfs/dbraw/zinc/51/01/00/1137510100.db2.gz JUTQBSGHMVQPKN-SJORKVTESA-N 1 2 325.374 3.946 20 30 EHEDLO CCCCn1c(SCc2ccc(C#N)o2)nnc1[C@H](CC)[NH+](C)C ZINC000871628280 1137549929 /nfs/dbraw/zinc/54/99/29/1137549929.db2.gz SIUSTFPACIOTHE-HNNXBMFYSA-N 1 2 347.488 3.848 20 30 EHEDLO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000876643725 1137658079 /nfs/dbraw/zinc/65/80/79/1137658079.db2.gz LKBNMGSGNAQTRN-CJNGLKHVSA-N 1 2 337.261 3.762 20 30 EHEDLO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000876643725 1137658080 /nfs/dbraw/zinc/65/80/80/1137658080.db2.gz LKBNMGSGNAQTRN-CJNGLKHVSA-N 1 2 337.261 3.762 20 30 EHEDLO N#CCOc1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)cc1 ZINC001137114264 1137665344 /nfs/dbraw/zinc/66/53/44/1137665344.db2.gz CSCMPVCAJBUAIE-UHFFFAOYSA-N 1 2 344.418 3.581 20 30 EHEDLO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cc(C#N)cnc3Cl)C2)n[nH]1 ZINC000877785118 1137689921 /nfs/dbraw/zinc/68/99/21/1137689921.db2.gz WIVBTGCKTBDCRC-CQSZACIVSA-N 1 2 343.862 3.833 20 30 EHEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)n[nH]1 ZINC000877785118 1137689922 /nfs/dbraw/zinc/68/99/22/1137689922.db2.gz WIVBTGCKTBDCRC-CQSZACIVSA-N 1 2 343.862 3.833 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3scnc3Cl)CC2)cc1 ZINC000878051792 1137700894 /nfs/dbraw/zinc/70/08/94/1137700894.db2.gz QRWGMGLSFBAIIH-UHFFFAOYSA-N 1 2 333.844 3.712 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000878336183 1137711218 /nfs/dbraw/zinc/71/12/18/1137711218.db2.gz ZDBCJQFTKNWGAH-NRFANRHFSA-N 1 2 336.410 3.624 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2cccc(F)c2C1)c1ccccc1 ZINC000878336183 1137711219 /nfs/dbraw/zinc/71/12/19/1137711219.db2.gz ZDBCJQFTKNWGAH-NRFANRHFSA-N 1 2 336.410 3.624 20 30 EHEDLO N#CC1CCC(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883111860 1137845020 /nfs/dbraw/zinc/84/50/20/1137845020.db2.gz ROODOSIIRZYRKC-UHFFFAOYSA-N 1 2 341.224 3.713 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c(OC(F)F)c1 ZINC000348286879 1137899234 /nfs/dbraw/zinc/89/92/34/1137899234.db2.gz CQWASDLQNXTUMS-MRXNPFEDSA-N 1 2 329.350 3.892 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c(OC(F)F)c1 ZINC000348286879 1137899235 /nfs/dbraw/zinc/89/92/35/1137899235.db2.gz CQWASDLQNXTUMS-MRXNPFEDSA-N 1 2 329.350 3.892 20 30 EHEDLO C[C@H](c1ccccn1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348319437 1137949262 /nfs/dbraw/zinc/94/92/62/1137949262.db2.gz MJROSXAZXSXXCP-BEFAXECRSA-N 1 2 340.858 3.678 20 30 EHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000127469625 1138359321 /nfs/dbraw/zinc/35/93/21/1138359321.db2.gz GAGZOQPCBJDPQB-WBMJQRKESA-N 1 2 343.818 3.523 20 30 EHEDLO COc1cc(-c2noc(C[N@H+](C)Cc3cccc(C#N)c3)n2)ccc1C ZINC000135048335 1138722311 /nfs/dbraw/zinc/72/23/11/1138722311.db2.gz KVTSJPIBMBVQQK-UHFFFAOYSA-N 1 2 348.406 3.557 20 30 EHEDLO COc1cc(-c2noc(C[N@@H+](C)Cc3cccc(C#N)c3)n2)ccc1C ZINC000135048335 1138722314 /nfs/dbraw/zinc/72/23/14/1138722314.db2.gz KVTSJPIBMBVQQK-UHFFFAOYSA-N 1 2 348.406 3.557 20 30 EHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000175403912 1139488165 /nfs/dbraw/zinc/48/81/65/1139488165.db2.gz XDAAEBRXHDUPLB-JCQPUDPBSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000175403912 1139488166 /nfs/dbraw/zinc/48/81/66/1139488166.db2.gz XDAAEBRXHDUPLB-JCQPUDPBSA-N 1 2 330.428 3.628 20 30 EHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184894261 1140124783 /nfs/dbraw/zinc/12/47/83/1140124783.db2.gz WHDDLXVCBCAXTC-JKSUJKDBSA-N 1 2 339.439 3.581 20 30 EHEDLO Cc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000186367435 1140200316 /nfs/dbraw/zinc/20/03/16/1140200316.db2.gz ZOUNKYXPJAVDFG-KRWDZBQOSA-N 1 2 348.450 3.777 20 30 EHEDLO COc1ccc(C[C@@H](C)C[N@H+](CCC#N)Cc2cccnc2)cc1F ZINC000186591157 1140212283 /nfs/dbraw/zinc/21/22/83/1140212283.db2.gz JGFVSVZJELUIDO-MRXNPFEDSA-N 1 2 341.430 3.824 20 30 EHEDLO COc1ccc(C[C@@H](C)C[N@@H+](CCC#N)Cc2cccnc2)cc1F ZINC000186591157 1140212286 /nfs/dbraw/zinc/21/22/86/1140212286.db2.gz JGFVSVZJELUIDO-MRXNPFEDSA-N 1 2 341.430 3.824 20 30 EHEDLO N#CCCC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339229996 1141535060 /nfs/dbraw/zinc/53/50/60/1141535060.db2.gz CXRMNFQCRHKPSR-KRWDZBQOSA-N 1 2 325.368 3.825 20 30 EHEDLO COc1ccc(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cc1C#N ZINC000275500590 564009098 /nfs/dbraw/zinc/00/90/98/564009098.db2.gz JOXYBTKSEMNMHW-SFHVURJKSA-N 1 2 336.439 3.506 20 30 EHEDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000175264608 1014233320 /nfs/dbraw/zinc/23/33/20/1014233320.db2.gz IFIKXBBOLGDRHF-QWRGUYRKSA-N 1 2 348.859 3.654 20 30 EHEDLO N#Cc1ccc(CSCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000049637161 1014759606 /nfs/dbraw/zinc/75/96/06/1014759606.db2.gz FKVTTXYKTKITNU-UHFFFAOYSA-N 1 2 348.431 3.616 20 30 EHEDLO C[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000127074388 1015285021 /nfs/dbraw/zinc/28/50/21/1015285021.db2.gz KFCZOOOGFOQQAC-WBMJQRKESA-N 1 2 334.345 3.861 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000471209292 1015654985 /nfs/dbraw/zinc/65/49/85/1015654985.db2.gz YTDXNHJGVSKLTR-UHFFFAOYSA-N 1 2 346.409 3.568 20 30 EHEDLO Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cc(C#N)ccc3F)C1)CCCC2 ZINC000275346709 1016507715 /nfs/dbraw/zinc/50/77/15/1016507715.db2.gz SMKRSZGJZRVMRL-QGZVFWFLSA-N 1 2 338.430 3.528 20 30 EHEDLO Cc1nc2c(n1[C@@H]1CC[N@H+](Cc3cc(C#N)ccc3F)C1)CCCC2 ZINC000275346709 1016507724 /nfs/dbraw/zinc/50/77/24/1016507724.db2.gz SMKRSZGJZRVMRL-QGZVFWFLSA-N 1 2 338.430 3.528 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccccc2)CC1 ZINC000083146541 1016592829 /nfs/dbraw/zinc/59/28/29/1016592829.db2.gz PDBXJZFJIWUXFP-HXUWFJFHSA-N 1 2 334.419 3.652 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)c(C#N)c1C ZINC000340191921 1016668109 /nfs/dbraw/zinc/66/81/09/1016668109.db2.gz JKMHIZGZVKNROG-CYBMUJFWSA-N 1 2 329.444 3.773 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)c(C#N)c1C ZINC000340191921 1016668117 /nfs/dbraw/zinc/66/81/17/1016668117.db2.gz JKMHIZGZVKNROG-CYBMUJFWSA-N 1 2 329.444 3.773 20 30 EHEDLO CCOC(=O)Nc1ccc(NCc2c[nH+]c3ccc(C)cn23)cc1C#N ZINC000181511030 1016979465 /nfs/dbraw/zinc/97/94/65/1016979465.db2.gz JZNOJVZUWIZSQG-UHFFFAOYSA-N 1 2 349.394 3.695 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1nnc(CCCC)s1)Cc1ccccc1 ZINC000484988797 1032198060 /nfs/dbraw/zinc/19/80/60/1032198060.db2.gz QUKSVMRHYRYBQU-UHFFFAOYSA-N 1 2 344.484 3.507 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1nnc(CCCC)s1)Cc1ccccc1 ZINC000484988797 1032198065 /nfs/dbraw/zinc/19/80/65/1032198065.db2.gz QUKSVMRHYRYBQU-UHFFFAOYSA-N 1 2 344.484 3.507 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc(C2CC2)nc1 ZINC000459543930 1032262796 /nfs/dbraw/zinc/26/27/96/1032262796.db2.gz JIINHHULOJHBDD-UHFFFAOYSA-N 1 2 325.460 3.710 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc(C2CC2)nc1 ZINC000459543930 1032262809 /nfs/dbraw/zinc/26/28/09/1032262809.db2.gz JIINHHULOJHBDD-UHFFFAOYSA-N 1 2 325.460 3.710 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000602004620 1032588944 /nfs/dbraw/zinc/58/89/44/1032588944.db2.gz GVALGDBZVXYDFM-RBUKOAKNSA-N 1 2 328.362 3.846 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CC)CCCC)c1=S ZINC000129765832 1032593289 /nfs/dbraw/zinc/59/32/89/1032593289.db2.gz DUPLBULRZLUGGQ-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CC)CCCC)c1=S ZINC000129765832 1032593297 /nfs/dbraw/zinc/59/32/97/1032593297.db2.gz DUPLBULRZLUGGQ-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C)c(C#N)c1C ZINC000177149155 1017603210 /nfs/dbraw/zinc/60/32/10/1017603210.db2.gz YGVUJMJLJLVUTE-ZDUSSCGKSA-N 1 2 339.464 3.794 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C)c(C#N)c1C ZINC000177149155 1017603215 /nfs/dbraw/zinc/60/32/15/1017603215.db2.gz YGVUJMJLJLVUTE-ZDUSSCGKSA-N 1 2 339.464 3.794 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc2c1OCCCO2 ZINC000348639870 1018262830 /nfs/dbraw/zinc/26/28/30/1018262830.db2.gz ZVTLQPUFNLMJNM-UHFFFAOYSA-N 1 2 343.423 3.512 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2c1OCCCO2 ZINC000348639870 1018262842 /nfs/dbraw/zinc/26/28/42/1018262842.db2.gz ZVTLQPUFNLMJNM-UHFFFAOYSA-N 1 2 343.423 3.512 20 30 EHEDLO Cc1cn2c([nH+]1)[C@H](CNc1cccc(Br)c1C#N)CCC2 ZINC000377974978 1018624816 /nfs/dbraw/zinc/62/48/16/1018624816.db2.gz UFPXGPAVWSYTAW-LBPRGKRZSA-N 1 2 345.244 3.815 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000345912350 1020587060 /nfs/dbraw/zinc/58/70/60/1020587060.db2.gz REVDZYAPZPXAIY-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000345912350 1020587066 /nfs/dbraw/zinc/58/70/66/1020587066.db2.gz REVDZYAPZPXAIY-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000127168118 1020592711 /nfs/dbraw/zinc/59/27/11/1020592711.db2.gz AGQKFTOYWOLZOJ-QFBILLFUSA-N 1 2 326.440 3.772 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)s1 ZINC000625802229 1021466342 /nfs/dbraw/zinc/46/63/42/1021466342.db2.gz GIZWXUCKGLIWAF-IBGZPJMESA-N 1 2 338.432 3.620 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)s1 ZINC000625802229 1021466347 /nfs/dbraw/zinc/46/63/47/1021466347.db2.gz GIZWXUCKGLIWAF-IBGZPJMESA-N 1 2 338.432 3.620 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cn(C(C)C)nc1C)c1ccc(Br)cc1 ZINC000894869660 1021540286 /nfs/dbraw/zinc/54/02/86/1021540286.db2.gz BSELLFDZPAREOA-QGZVFWFLSA-N 1 2 346.272 3.999 20 30 EHEDLO C[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000520168799 1021994600 /nfs/dbraw/zinc/99/46/00/1021994600.db2.gz XYAGQTFVBKYHMH-AWEZNQCLSA-N 1 2 341.842 3.521 20 30 EHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000520168799 1021994606 /nfs/dbraw/zinc/99/46/06/1021994606.db2.gz XYAGQTFVBKYHMH-AWEZNQCLSA-N 1 2 341.842 3.521 20 30 EHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC000506842993 1022163746 /nfs/dbraw/zinc/16/37/46/1022163746.db2.gz XKKFKMUBESHUHK-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO O=C(c1cc(F)ccc1F)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000276722257 1022418759 /nfs/dbraw/zinc/41/87/59/1022418759.db2.gz AILBZCHIDJHNHX-UHFFFAOYSA-N 1 2 339.385 3.911 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000438194417 1022465022 /nfs/dbraw/zinc/46/50/22/1022465022.db2.gz XWZOENNUOOHMSU-IIBYNOLFSA-N 1 2 336.435 3.837 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000438194417 1022465029 /nfs/dbraw/zinc/46/50/29/1022465029.db2.gz XWZOENNUOOHMSU-IIBYNOLFSA-N 1 2 336.435 3.837 20 30 EHEDLO N#Cc1csc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000506295035 1022858323 /nfs/dbraw/zinc/85/83/23/1022858323.db2.gz NNVZQBJRESWZCK-UHFFFAOYSA-N 1 2 345.899 3.981 20 30 EHEDLO N#Cc1csc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000506295035 1022858337 /nfs/dbraw/zinc/85/83/37/1022858337.db2.gz NNVZQBJRESWZCK-UHFFFAOYSA-N 1 2 345.899 3.981 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610632951 1023041475 /nfs/dbraw/zinc/04/14/75/1023041475.db2.gz BTAYSXJESLYTNI-QZTJIDSGSA-N 1 2 345.406 3.638 20 30 EHEDLO C=CCOc1ccc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000058957200 1033117667 /nfs/dbraw/zinc/11/76/67/1033117667.db2.gz GJIZQAKAUVXSDN-UHFFFAOYSA-N 1 2 340.423 3.544 20 30 EHEDLO N#CCCCOc1cccnc1NCc1cc(-n2cc[nH+]c2)cs1 ZINC000341956772 1023720610 /nfs/dbraw/zinc/72/06/10/1023720610.db2.gz IGTQXEXQQMFITB-UHFFFAOYSA-N 1 2 339.424 3.623 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H]3CCC[C@@H]31)C2 ZINC000329769130 1024185267 /nfs/dbraw/zinc/18/52/67/1024185267.db2.gz HKROHOICKDGVOD-JYJNAYRXSA-N 1 2 344.503 3.674 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097223 1024317538 /nfs/dbraw/zinc/31/75/38/1024317538.db2.gz ANAKIJJKQVMFEN-UWVAXJGDSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330097223 1024317555 /nfs/dbraw/zinc/31/75/55/1024317555.db2.gz ANAKIJJKQVMFEN-UWVAXJGDSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000330161916 1024339231 /nfs/dbraw/zinc/33/92/31/1024339231.db2.gz SBGBTCGLTVBGDB-OAHLLOKOSA-N 1 2 338.455 3.561 20 30 EHEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000330161916 1024339248 /nfs/dbraw/zinc/33/92/48/1024339248.db2.gz SBGBTCGLTVBGDB-OAHLLOKOSA-N 1 2 338.455 3.561 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1CC1CCCCC1 ZINC000330187546 1024348191 /nfs/dbraw/zinc/34/81/91/1024348191.db2.gz KLTJUJLDDVCZNC-IAGOWNOFSA-N 1 2 330.476 3.547 20 30 EHEDLO CC1(C)CC[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000330191900 1024351147 /nfs/dbraw/zinc/35/11/47/1024351147.db2.gz NJIZTOHHLVPOLD-PBHICJAKSA-N 1 2 338.455 3.514 20 30 EHEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000602860386 1033211267 /nfs/dbraw/zinc/21/12/67/1033211267.db2.gz CUSCIZSFCYWTIA-YJBOKZPZSA-N 1 2 327.472 3.539 20 30 EHEDLO COc1ccccc1/C=C\C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000434990311 1024546591 /nfs/dbraw/zinc/54/65/91/1024546591.db2.gz GPWJTWUSRYTNOJ-OQFUBPRESA-N 1 2 347.462 3.591 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000346273784 1024564594 /nfs/dbraw/zinc/56/45/94/1024564594.db2.gz IBSFDYXMAUGALW-CYBMUJFWSA-N 1 2 345.424 3.672 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000346273784 1024564610 /nfs/dbraw/zinc/56/46/10/1024564610.db2.gz IBSFDYXMAUGALW-CYBMUJFWSA-N 1 2 345.424 3.672 20 30 EHEDLO CCn1nc(C)c(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)c1C ZINC000602927565 1033256938 /nfs/dbraw/zinc/25/69/38/1033256938.db2.gz WRSWVHMVACOROX-UHFFFAOYSA-N 1 2 348.397 3.625 20 30 EHEDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)c1C ZINC000602927565 1033256948 /nfs/dbraw/zinc/25/69/48/1033256948.db2.gz WRSWVHMVACOROX-UHFFFAOYSA-N 1 2 348.397 3.625 20 30 EHEDLO C=CCCCN(CC)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000896153125 1025189158 /nfs/dbraw/zinc/18/91/58/1025189158.db2.gz OTIKVNXQFANXMR-QAQDUYKDSA-N 1 2 330.476 3.802 20 30 EHEDLO CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)[NH2+]CCCCC#N ZINC000602939971 1033273179 /nfs/dbraw/zinc/27/31/79/1033273179.db2.gz CQYLVVDZIQIZKI-HNNXBMFYSA-N 1 2 343.254 3.751 20 30 EHEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000184881502 1025374087 /nfs/dbraw/zinc/37/40/87/1025374087.db2.gz NYKGJMWKCJOEOS-AWEZNQCLSA-N 1 2 346.390 3.503 20 30 EHEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(C#N)cc1 ZINC000046519010 1033285852 /nfs/dbraw/zinc/28/58/52/1033285852.db2.gz IWEMDUYIZXKAQH-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(C#N)cc1 ZINC000046519010 1033285862 /nfs/dbraw/zinc/28/58/62/1033285862.db2.gz IWEMDUYIZXKAQH-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C#Cc1cncc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000896559819 1025591061 /nfs/dbraw/zinc/59/10/61/1025591061.db2.gz JJZWTPCLHHWNLT-SFHVURJKSA-N 1 2 348.381 3.589 20 30 EHEDLO C#Cc1cncc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000896559819 1025591075 /nfs/dbraw/zinc/59/10/75/1025591075.db2.gz JJZWTPCLHHWNLT-SFHVURJKSA-N 1 2 348.381 3.589 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000425535691 1025682377 /nfs/dbraw/zinc/68/23/77/1025682377.db2.gz NWOMYBOXFKHXOV-ZDUSSCGKSA-N 1 2 326.469 3.806 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000425535691 1025682391 /nfs/dbraw/zinc/68/23/91/1025682391.db2.gz NWOMYBOXFKHXOV-ZDUSSCGKSA-N 1 2 326.469 3.806 20 30 EHEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505772 1025936020 /nfs/dbraw/zinc/93/60/20/1025936020.db2.gz ZKVDIKFBGCOQFA-GDBMZVCRSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)[nH]1 ZINC000329505772 1025936033 /nfs/dbraw/zinc/93/60/33/1025936033.db2.gz ZKVDIKFBGCOQFA-GDBMZVCRSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)n1 ZINC000329505772 1025936045 /nfs/dbraw/zinc/93/60/45/1025936045.db2.gz ZKVDIKFBGCOQFA-GDBMZVCRSA-N 1 2 341.459 3.586 20 30 EHEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)n1 ZINC000329505772 1025936059 /nfs/dbraw/zinc/93/60/59/1025936059.db2.gz ZKVDIKFBGCOQFA-GDBMZVCRSA-N 1 2 341.459 3.586 20 30 EHEDLO CC1(C)CCCc2sc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)nc21 ZINC000329598720 1026050246 /nfs/dbraw/zinc/05/02/46/1026050246.db2.gz JMVCWJLGIVZMTP-NSHDSACASA-N 1 2 330.457 3.804 20 30 EHEDLO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000562057263 1026407187 /nfs/dbraw/zinc/40/71/87/1026407187.db2.gz OQZYAAULMTUXOD-ORAYPTAESA-N 1 2 329.394 3.790 20 30 EHEDLO CN(CCC#N)c1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000121830996 1026780095 /nfs/dbraw/zinc/78/00/95/1026780095.db2.gz YNGOWGXVPKJZCE-UHFFFAOYSA-N 1 2 331.423 3.834 20 30 EHEDLO Clc1cccc(C#CC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000533460257 1027901613 /nfs/dbraw/zinc/90/16/13/1027901613.db2.gz XOSOCUUPMVLHPD-LJQANCHMSA-N 1 2 329.827 3.966 20 30 EHEDLO Clc1cccc(C#CC[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000533460257 1027901622 /nfs/dbraw/zinc/90/16/22/1027901622.db2.gz XOSOCUUPMVLHPD-LJQANCHMSA-N 1 2 329.827 3.966 20 30 EHEDLO Cc1noc([C@H](C)[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)n1 ZINC000444681306 1028150121 /nfs/dbraw/zinc/15/01/21/1028150121.db2.gz ULEUTSHGPYQOSP-INIZCTEOSA-N 1 2 346.434 3.929 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C ZINC000444712020 1028189916 /nfs/dbraw/zinc/18/99/16/1028189916.db2.gz YMJQDXPVQFQJQH-AWEZNQCLSA-N 1 2 328.378 3.748 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1C ZINC000444712020 1028189933 /nfs/dbraw/zinc/18/99/33/1028189933.db2.gz YMJQDXPVQFQJQH-AWEZNQCLSA-N 1 2 328.378 3.748 20 30 EHEDLO Cc1cc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)ccc1F ZINC000444742998 1028228638 /nfs/dbraw/zinc/22/86/38/1028228638.db2.gz XSMVHLQLZWSWLM-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO Cc1cc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)ccc1F ZINC000444742998 1028228657 /nfs/dbraw/zinc/22/86/57/1028228657.db2.gz XSMVHLQLZWSWLM-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO Cc1ccccc1[C@H]([C@@H](C)NCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000421399121 1028344787 /nfs/dbraw/zinc/34/47/87/1028344787.db2.gz SYWHNIYJEAQUQR-QRWLVFNGSA-N 1 2 325.431 3.787 20 30 EHEDLO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C ZINC000502551650 1028352688 /nfs/dbraw/zinc/35/26/88/1028352688.db2.gz BIHDHUNCUQNAMC-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C ZINC000502551650 1028352702 /nfs/dbraw/zinc/35/27/02/1028352702.db2.gz BIHDHUNCUQNAMC-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272604452 1029529577 /nfs/dbraw/zinc/52/95/77/1029529577.db2.gz RGKOMXGMEDCZTA-HNNXBMFYSA-N 1 2 339.439 3.578 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1cccc(C#N)c1 ZINC000340424608 1029872729 /nfs/dbraw/zinc/87/27/29/1029872729.db2.gz JIUNPTXTQUASSV-MNOVXSKESA-N 1 2 331.217 3.523 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000156652464 1029919343 /nfs/dbraw/zinc/91/93/43/1029919343.db2.gz CSVZYJULHQKORG-INIZCTEOSA-N 1 2 329.444 3.766 20 30 EHEDLO C=C[C@@H](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1 ZINC000343330674 1030322584 /nfs/dbraw/zinc/32/25/84/1030322584.db2.gz IHDGXJIVTAOAEN-KRWDZBQOSA-N 1 2 332.407 3.625 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)C(=O)Nc1ccccc1C#N ZINC000340448087 1030504925 /nfs/dbraw/zinc/50/49/25/1030504925.db2.gz RDTTYHYHVVNLBE-VXGBXAGGSA-N 1 2 329.350 3.514 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000550932246 1030820859 /nfs/dbraw/zinc/82/08/59/1030820859.db2.gz VNAYKRRGKQMMMM-FQEVSTJZSA-N 1 2 343.434 3.696 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3ncc(Br)cc3F)CC2)c1 ZINC000527682890 1031147104 /nfs/dbraw/zinc/14/71/04/1031147104.db2.gz SNFAYUKTCYJEJB-UHFFFAOYSA-N 1 2 346.203 3.634 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000161109246 1031327401 /nfs/dbraw/zinc/32/74/01/1031327401.db2.gz JSUKOXIXCWXZGY-INIZCTEOSA-N 1 2 328.412 3.996 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000161109246 1031327418 /nfs/dbraw/zinc/32/74/18/1031327418.db2.gz JSUKOXIXCWXZGY-INIZCTEOSA-N 1 2 328.412 3.996 20 30 EHEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC#Cc2ccccc2)cn1 ZINC000483927874 1031395670 /nfs/dbraw/zinc/39/56/70/1031395670.db2.gz MTDFDQRCVYPCQV-OAQYLSRUSA-N 1 2 333.410 3.632 20 30 EHEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2ccccc2)cn1 ZINC000483927874 1031395685 /nfs/dbraw/zinc/39/56/85/1031395685.db2.gz MTDFDQRCVYPCQV-OAQYLSRUSA-N 1 2 333.410 3.632 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000179427066 1031774050 /nfs/dbraw/zinc/77/40/50/1031774050.db2.gz YWQLRWPAAIONOJ-YWZLYKJASA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000179427066 1031774063 /nfs/dbraw/zinc/77/40/63/1031774063.db2.gz YWQLRWPAAIONOJ-YWZLYKJASA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@H](CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)n1cc[nH+]c1 ZINC000574641671 1033332178 /nfs/dbraw/zinc/33/21/78/1033332178.db2.gz XECJLNPJJQUPSX-CYBMUJFWSA-N 1 2 326.400 3.522 20 30 EHEDLO C[C@@H](CC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)n1cc[nH+]c1 ZINC000574641672 1033333297 /nfs/dbraw/zinc/33/32/97/1033333297.db2.gz XECJLNPJJQUPSX-ZDUSSCGKSA-N 1 2 326.400 3.522 20 30 EHEDLO C[C@H]([NH2+][C@H](C(F)F)C1CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000598651104 1033365656 /nfs/dbraw/zinc/36/56/56/1033365656.db2.gz WELSPMKSWAYLSM-ZFWWWQNUSA-N 1 2 341.446 3.521 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(C2CC2)no1 ZINC000594921573 1033546353 /nfs/dbraw/zinc/54/63/53/1033546353.db2.gz DFLIPBUAVNINQC-KRWDZBQOSA-N 1 2 336.439 3.989 20 30 EHEDLO COc1cc(OC)c(C(=O)/C=C\c2c[nH+]c3ccccn23)cc1Cl ZINC000255617359 1033663637 /nfs/dbraw/zinc/66/36/37/1033663637.db2.gz HAOYUOSWGTWBOC-SREVYHEPSA-N 1 2 342.782 3.901 20 30 EHEDLO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)cs2)cc1 ZINC000595612371 1033925121 /nfs/dbraw/zinc/92/51/21/1033925121.db2.gz UZEKKDQCGQCGFW-AWEZNQCLSA-N 1 2 327.453 3.944 20 30 EHEDLO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)cs2)cc1 ZINC000595612371 1033925128 /nfs/dbraw/zinc/92/51/28/1033925128.db2.gz UZEKKDQCGQCGFW-AWEZNQCLSA-N 1 2 327.453 3.944 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595615780 1033927622 /nfs/dbraw/zinc/92/76/22/1033927622.db2.gz SXNMRTUSHYXEKL-GTJPDFRWSA-N 1 2 345.295 3.727 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000595615780 1033927639 /nfs/dbraw/zinc/92/76/39/1033927639.db2.gz SXNMRTUSHYXEKL-GTJPDFRWSA-N 1 2 345.295 3.727 20 30 EHEDLO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)c1cccs1 ZINC000595617101 1033927958 /nfs/dbraw/zinc/92/79/58/1033927958.db2.gz ULPIJUGUWXUIHT-RHSMWYFYSA-N 1 2 333.501 3.577 20 30 EHEDLO CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1cccs1 ZINC000595617101 1033927968 /nfs/dbraw/zinc/92/79/68/1033927968.db2.gz ULPIJUGUWXUIHT-RHSMWYFYSA-N 1 2 333.501 3.577 20 30 EHEDLO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1C#N ZINC000595717618 1033959620 /nfs/dbraw/zinc/95/96/20/1033959620.db2.gz PEMPFMOFGVIXFF-LJQANCHMSA-N 1 2 338.407 3.514 20 30 EHEDLO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1C#N ZINC000595717618 1033959627 /nfs/dbraw/zinc/95/96/27/1033959627.db2.gz PEMPFMOFGVIXFF-LJQANCHMSA-N 1 2 338.407 3.514 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118395 1033968295 /nfs/dbraw/zinc/96/82/95/1033968295.db2.gz QXUOZVMOXNMXDM-ZDUSSCGKSA-N 1 2 327.172 3.552 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118395 1033968307 /nfs/dbraw/zinc/96/83/07/1033968307.db2.gz QXUOZVMOXNMXDM-ZDUSSCGKSA-N 1 2 327.172 3.552 20 30 EHEDLO CCOCC[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000599623715 1034048914 /nfs/dbraw/zinc/04/89/14/1034048914.db2.gz BNRQYGLMMFKNRV-QGZVFWFLSA-N 1 2 327.453 3.541 20 30 EHEDLO CCOCC[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000599623715 1034048926 /nfs/dbraw/zinc/04/89/26/1034048926.db2.gz BNRQYGLMMFKNRV-QGZVFWFLSA-N 1 2 327.453 3.541 20 30 EHEDLO CC(C)c1ccccc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685226 1034113515 /nfs/dbraw/zinc/11/35/15/1034113515.db2.gz APJGPQQEWAPECS-UHFFFAOYSA-N 1 2 347.462 3.873 20 30 EHEDLO CC(C)c1ccccc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685226 1034113524 /nfs/dbraw/zinc/11/35/24/1034113524.db2.gz APJGPQQEWAPECS-UHFFFAOYSA-N 1 2 347.462 3.873 20 30 EHEDLO COC[C@H](C)[N@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000599683720 1034113611 /nfs/dbraw/zinc/11/36/11/1034113611.db2.gz UOVZODBAQBCURR-GUYCJALGSA-N 1 2 327.453 3.539 20 30 EHEDLO COC[C@H](C)[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc21 ZINC000599683720 1034113618 /nfs/dbraw/zinc/11/36/18/1034113618.db2.gz UOVZODBAQBCURR-GUYCJALGSA-N 1 2 327.453 3.539 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120975320 1034276522 /nfs/dbraw/zinc/27/65/22/1034276522.db2.gz ZJUROWJUXGYANE-OAHLLOKOSA-N 1 2 337.533 3.992 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000120975320 1034276538 /nfs/dbraw/zinc/27/65/38/1034276538.db2.gz ZJUROWJUXGYANE-OAHLLOKOSA-N 1 2 337.533 3.992 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)o2)cc1 ZINC000597232707 1034614095 /nfs/dbraw/zinc/61/40/95/1034614095.db2.gz VYURDNTXYJIVKA-HXUWFJFHSA-N 1 2 338.407 3.859 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@](C)(C#N)C3)o2)cc1 ZINC000597232707 1034614105 /nfs/dbraw/zinc/61/41/05/1034614105.db2.gz VYURDNTXYJIVKA-HXUWFJFHSA-N 1 2 338.407 3.859 20 30 EHEDLO N#CC1(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCCCC1 ZINC000597492036 1034783815 /nfs/dbraw/zinc/78/38/15/1034783815.db2.gz SRCFLWOUAHZMGZ-UHFFFAOYSA-N 1 2 342.487 3.766 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000365391383 1035064734 /nfs/dbraw/zinc/06/47/34/1035064734.db2.gz LYYVRRKBZVLRAH-KBOKABMXSA-N 1 2 337.448 3.736 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000365391383 1035064741 /nfs/dbraw/zinc/06/47/41/1035064741.db2.gz LYYVRRKBZVLRAH-KBOKABMXSA-N 1 2 337.448 3.736 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC(C)C)C2CC2)c1=S ZINC000177936561 1035454436 /nfs/dbraw/zinc/45/44/36/1035454436.db2.gz PLFMBKZIRUXRSN-UHFFFAOYSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC(C)C)C2CC2)c1=S ZINC000177936561 1035454439 /nfs/dbraw/zinc/45/44/39/1035454439.db2.gz PLFMBKZIRUXRSN-UHFFFAOYSA-N 1 2 343.500 3.740 20 30 EHEDLO N#CC1CC[NH+](Cn2ccc(-c3ccc(Br)cc3)n2)CC1 ZINC000157065919 1036460876 /nfs/dbraw/zinc/46/08/76/1036460876.db2.gz MUBNLVKGBSSAQY-UHFFFAOYSA-N 1 2 345.244 3.506 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCc4sccc4C3)o2)cc1 ZINC000610369479 1036470030 /nfs/dbraw/zinc/47/00/30/1036470030.db2.gz YYSJPCIHGYGKBA-UHFFFAOYSA-N 1 2 336.420 3.618 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCc4sccc4C3)o2)cc1 ZINC000610369479 1036470040 /nfs/dbraw/zinc/47/00/40/1036470040.db2.gz YYSJPCIHGYGKBA-UHFFFAOYSA-N 1 2 336.420 3.618 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c(C(F)(F)F)c1 ZINC000589510838 1036486476 /nfs/dbraw/zinc/48/64/76/1036486476.db2.gz QJAAFZLRKIQCGM-GFCCVEGCSA-N 1 2 334.288 3.781 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c(C(F)(F)F)c1 ZINC000589510838 1036486491 /nfs/dbraw/zinc/48/64/91/1036486491.db2.gz QJAAFZLRKIQCGM-GFCCVEGCSA-N 1 2 334.288 3.781 20 30 EHEDLO COc1cc(OC)c(C(=O)/C=C/c2cccc3[nH+]ccn32)cc1Cl ZINC000180309821 1036632779 /nfs/dbraw/zinc/63/27/79/1036632779.db2.gz XEKRASGYGFMDGQ-VOTSOKGWSA-N 1 2 342.782 3.901 20 30 EHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000590242393 1036805448 /nfs/dbraw/zinc/80/54/48/1036805448.db2.gz YVWKQJAYJWXJAA-UHFFFAOYSA-N 1 2 332.388 3.981 20 30 EHEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]2C ZINC000541949650 1036877500 /nfs/dbraw/zinc/87/75/00/1036877500.db2.gz ZOHNXKWSSZZNSC-GJZGRUSLSA-N 1 2 349.434 3.513 20 30 EHEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]2C ZINC000541949650 1036877519 /nfs/dbraw/zinc/87/75/19/1036877519.db2.gz ZOHNXKWSSZZNSC-GJZGRUSLSA-N 1 2 349.434 3.513 20 30 EHEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000064140880 1037034694 /nfs/dbraw/zinc/03/46/94/1037034694.db2.gz LWUNEUZWRPFDKK-UHFFFAOYSA-N 1 2 347.455 3.678 20 30 EHEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000064140880 1037034708 /nfs/dbraw/zinc/03/47/08/1037034708.db2.gz LWUNEUZWRPFDKK-UHFFFAOYSA-N 1 2 347.455 3.678 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000610726511 1037062504 /nfs/dbraw/zinc/06/25/04/1037062504.db2.gz ZQHNSBWDQDVXJB-RDTXWAMCSA-N 1 2 331.423 3.699 20 30 EHEDLO Cc1ccnc(N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC000542277631 1037237021 /nfs/dbraw/zinc/23/70/21/1037237021.db2.gz ZBNGXCJOZXOWGS-HNNXBMFYSA-N 1 2 340.858 3.798 20 30 EHEDLO CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@](O)(CC#N)C3)cs2)cc1 ZINC000592147601 1037849477 /nfs/dbraw/zinc/84/94/77/1037849477.db2.gz MNWFCIDAEMFTNY-LJQANCHMSA-N 1 2 341.480 3.784 20 30 EHEDLO CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@](O)(CC#N)C3)cs2)cc1 ZINC000592147601 1037849502 /nfs/dbraw/zinc/84/95/02/1037849502.db2.gz MNWFCIDAEMFTNY-LJQANCHMSA-N 1 2 341.480 3.784 20 30 EHEDLO Cc1nc([C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150078 1037851290 /nfs/dbraw/zinc/85/12/90/1037851290.db2.gz CHWMLRJUPOLWID-FZKQIMNGSA-N 1 2 345.830 3.715 20 30 EHEDLO Cc1nc([C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150078 1037851308 /nfs/dbraw/zinc/85/13/08/1037851308.db2.gz CHWMLRJUPOLWID-FZKQIMNGSA-N 1 2 345.830 3.715 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CCC1 ZINC000592516466 1038017184 /nfs/dbraw/zinc/01/71/84/1038017184.db2.gz OAMKXJXXDORFHN-UHFFFAOYSA-N 1 2 345.187 3.834 20 30 EHEDLO O[C@@H]([C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000123728204 1038065735 /nfs/dbraw/zinc/06/57/35/1038065735.db2.gz XZVKYCBZBMYINI-RYUDHWBXSA-N 1 2 345.258 3.732 20 30 EHEDLO O[C@@H]([C@@H]1CCC[N@H+]1Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000123728204 1038065752 /nfs/dbraw/zinc/06/57/52/1038065752.db2.gz XZVKYCBZBMYINI-RYUDHWBXSA-N 1 2 345.258 3.732 20 30 EHEDLO N#CCc1cc[nH+]c(NCc2c(F)ccc(Br)c2F)c1 ZINC000554597695 1039524996 /nfs/dbraw/zinc/52/49/96/1039524996.db2.gz UGSULIOYLFBMKR-UHFFFAOYSA-N 1 2 338.155 3.800 20 30 EHEDLO C=CCn1cccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000489019921 1039559622 /nfs/dbraw/zinc/55/96/22/1039559622.db2.gz VRUYVLIRVMSPJZ-UHFFFAOYSA-N 1 2 326.787 3.766 20 30 EHEDLO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cc(OC)c1 ZINC000480526179 1039636937 /nfs/dbraw/zinc/63/69/37/1039636937.db2.gz NTRJPCBKCPHFKH-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO COc1cc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc(OC)c1 ZINC000480526179 1039636942 /nfs/dbraw/zinc/63/69/42/1039636942.db2.gz NTRJPCBKCPHFKH-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000489404332 1039920271 /nfs/dbraw/zinc/92/02/71/1039920271.db2.gz OXWZGTFFPFEIRT-INIZCTEOSA-N 1 2 340.389 3.618 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000489404332 1039920282 /nfs/dbraw/zinc/92/02/82/1039920282.db2.gz OXWZGTFFPFEIRT-INIZCTEOSA-N 1 2 340.389 3.618 20 30 EHEDLO CC(C)n1c[nH+]cc1/C=C1/CCc2ncc(Br)cc2C1=O ZINC000899397028 1040443175 /nfs/dbraw/zinc/44/31/75/1040443175.db2.gz KDMCDQXCRVWZGK-WZUFQYTHSA-N 1 2 346.228 3.834 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000008065581 1042936367 /nfs/dbraw/zinc/93/63/67/1042936367.db2.gz KLLXIFBNYIOLIH-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000008065581 1042936371 /nfs/dbraw/zinc/93/63/71/1042936371.db2.gz KLLXIFBNYIOLIH-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C=C(C)CC[N@@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000508964869 1129593863 /nfs/dbraw/zinc/59/38/63/1129593863.db2.gz QZKBZVRHZBNZBN-AWEZNQCLSA-N 1 2 326.234 3.561 20 30 EHEDLO C=C(C)CC[N@H+](C)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000508964869 1129593866 /nfs/dbraw/zinc/59/38/66/1129593866.db2.gz QZKBZVRHZBNZBN-AWEZNQCLSA-N 1 2 326.234 3.561 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000764989767 1127561120 /nfs/dbraw/zinc/56/11/20/1127561120.db2.gz USJRVOQYMAIPCD-HNNXBMFYSA-N 1 2 345.516 3.988 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000764989767 1127561122 /nfs/dbraw/zinc/56/11/22/1127561122.db2.gz USJRVOQYMAIPCD-HNNXBMFYSA-N 1 2 345.516 3.988 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCCCC[C@@H]2C)c1=S ZINC000765011559 1127562585 /nfs/dbraw/zinc/56/25/85/1127562585.db2.gz JTTFABOAYFOKBC-HNNXBMFYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCCCC[C@@H]2C)c1=S ZINC000765011559 1127562588 /nfs/dbraw/zinc/56/25/88/1127562588.db2.gz JTTFABOAYFOKBC-HNNXBMFYSA-N 1 2 343.500 3.884 20 30 EHEDLO N#Cc1cc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cs1 ZINC000921559888 1127751182 /nfs/dbraw/zinc/75/11/82/1127751182.db2.gz WFHHHOGPHRMXQI-UHFFFAOYSA-N 1 2 334.448 3.584 20 30 EHEDLO N#Cc1cc(Cl)c(Nc2ccc[nH+]c2N2CCOCC2)c(Cl)c1 ZINC001212358731 1127965246 /nfs/dbraw/zinc/96/52/46/1127965246.db2.gz ZFSLZXNPJNRWMY-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2cccc(C#N)n2)c1 ZINC000301881240 1128610613 /nfs/dbraw/zinc/61/06/13/1128610613.db2.gz ZWFUKKYCBOYQFE-UHFFFAOYSA-N 1 2 335.436 3.785 20 30 EHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2cccc(C#N)n2)c1 ZINC000301881240 1128610616 /nfs/dbraw/zinc/61/06/16/1128610616.db2.gz ZWFUKKYCBOYQFE-UHFFFAOYSA-N 1 2 335.436 3.785 20 30 EHEDLO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC001116743181 1128747259 /nfs/dbraw/zinc/74/72/59/1128747259.db2.gz CJARCPMIOOLBGJ-LBPRGKRZSA-N 1 2 330.653 3.879 20 30 EHEDLO C=CCO[C@H]1CC[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC001116743181 1128747261 /nfs/dbraw/zinc/74/72/61/1128747261.db2.gz CJARCPMIOOLBGJ-LBPRGKRZSA-N 1 2 330.653 3.879 20 30 EHEDLO C=CCOc1cccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1 ZINC000185608726 1120421309 /nfs/dbraw/zinc/42/13/09/1120421309.db2.gz QYDXYTPPDAVFKJ-MRXNPFEDSA-N 1 2 343.496 3.587 20 30 EHEDLO C[N@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)CC(C)(C)C#N ZINC000495816303 1121534115 /nfs/dbraw/zinc/53/41/15/1121534115.db2.gz IIPJGJHOSHYUPL-UHFFFAOYSA-N 1 2 343.471 3.966 20 30 EHEDLO C[N@@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)CC(C)(C)C#N ZINC000495816303 1121534120 /nfs/dbraw/zinc/53/41/20/1121534120.db2.gz IIPJGJHOSHYUPL-UHFFFAOYSA-N 1 2 343.471 3.966 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1-c1ccco1 ZINC000763335444 1121967876 /nfs/dbraw/zinc/96/78/76/1121967876.db2.gz YTADDRBLKLDZDC-AWEZNQCLSA-N 1 2 330.457 3.549 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1-c1ccco1 ZINC000763335444 1121967879 /nfs/dbraw/zinc/96/78/79/1121967879.db2.gz YTADDRBLKLDZDC-AWEZNQCLSA-N 1 2 330.457 3.549 20 30 EHEDLO CCOc1ccc(O)c(/C=[NH+]\CCCOCCc2ccccc2)c1 ZINC000917557245 1122636730 /nfs/dbraw/zinc/63/67/30/1122636730.db2.gz CFIPQVVIWACTOS-PGMHBOJBSA-N 1 2 327.424 3.859 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)CCC(C)C)c1=S ZINC000154673959 1122778059 /nfs/dbraw/zinc/77/80/59/1122778059.db2.gz UAKQQULLJCDYSN-UHFFFAOYSA-N 1 2 345.516 3.988 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)CCC(C)C)c1=S ZINC000154673959 1122778061 /nfs/dbraw/zinc/77/80/61/1122778061.db2.gz UAKQQULLJCDYSN-UHFFFAOYSA-N 1 2 345.516 3.988 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1cccs1 ZINC000499057075 1123177007 /nfs/dbraw/zinc/17/70/07/1123177007.db2.gz SWQPEVUTRCAIJX-INIZCTEOSA-N 1 2 328.481 3.956 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1cccs1 ZINC000499057075 1123177009 /nfs/dbraw/zinc/17/70/09/1123177009.db2.gz SWQPEVUTRCAIJX-INIZCTEOSA-N 1 2 328.481 3.956 20 30 EHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000557042408 1123281434 /nfs/dbraw/zinc/28/14/34/1123281434.db2.gz QSUZPFGVBWSCAV-LBPRGKRZSA-N 1 2 328.334 3.586 20 30 EHEDLO C#CCOc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000920957275 1123442484 /nfs/dbraw/zinc/44/24/84/1123442484.db2.gz XEKJLHQJIHKOED-JOCHJYFZSA-N 1 2 328.415 3.973 20 30 EHEDLO Fc1c(Cl)cccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000921137572 1123470385 /nfs/dbraw/zinc/47/03/85/1123470385.db2.gz DGKSAYLEZCBOBV-UHFFFAOYSA-N 1 2 333.794 3.762 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2Br)nc1 ZINC000780557482 1125345846 /nfs/dbraw/zinc/34/58/46/1125345846.db2.gz YACDMHHDPXZEGH-UHFFFAOYSA-N 1 2 336.620 3.659 20 30 EHEDLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000093458854 1129588597 /nfs/dbraw/zinc/58/85/97/1129588597.db2.gz ZBNCBFGQNCBTQZ-LJQANCHMSA-N 1 2 348.475 3.805 20 30 EHEDLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000093458854 1129588598 /nfs/dbraw/zinc/58/85/98/1129588598.db2.gz ZBNCBFGQNCBTQZ-LJQANCHMSA-N 1 2 348.475 3.805 20 30 EHEDLO C=CCN(Cc1ccccc1F)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172060233 1130102165 /nfs/dbraw/zinc/10/21/65/1130102165.db2.gz DJNVKHHEQUFJMG-UHFFFAOYSA-N 1 2 335.382 3.840 20 30 EHEDLO CCOC(=O)Cc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000741467344 1131605857 /nfs/dbraw/zinc/60/58/57/1131605857.db2.gz KPKNHFZMSFKTBZ-ZHACJKMWSA-N 1 2 348.402 3.644 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cccc([N+](=O)[O-])c1 ZINC000737443175 1131633268 /nfs/dbraw/zinc/63/32/68/1131633268.db2.gz IEULWCBPFPZETI-WAYWQWQTSA-N 1 2 327.727 3.792 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cccc([N+](=O)[O-])c1 ZINC000737443173 1131633571 /nfs/dbraw/zinc/63/35/71/1131633571.db2.gz IEULWCBPFPZETI-AATRIKPKSA-N 1 2 327.727 3.792 20 30 EHEDLO CC(C)c1nc(C#N)c(N=NC(C)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000745624915 1132283404 /nfs/dbraw/zinc/28/34/04/1132283404.db2.gz PEMJYAQPGVPXPS-UHFFFAOYSA-N 1 2 334.383 3.691 20 30 EHEDLO C=C(Br)C[N@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001175267728 1132624281 /nfs/dbraw/zinc/62/42/81/1132624281.db2.gz JXOJUACYVYUZMT-ZDUSSCGKSA-N 1 2 347.297 3.664 20 30 EHEDLO C=C(Br)C[N@@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001175267728 1132624283 /nfs/dbraw/zinc/62/42/83/1132624283.db2.gz JXOJUACYVYUZMT-ZDUSSCGKSA-N 1 2 347.297 3.664 20 30 EHEDLO N#Cc1cccc([C@@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC001169224895 1132701243 /nfs/dbraw/zinc/70/12/43/1132701243.db2.gz JEAWQLVJMBRZKH-IBGZPJMESA-N 1 2 328.362 3.534 20 30 EHEDLO N#Cc1cccc([C@@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC001169224895 1132701247 /nfs/dbraw/zinc/70/12/47/1132701247.db2.gz JEAWQLVJMBRZKH-IBGZPJMESA-N 1 2 328.362 3.534 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@H]1CCCO1 ZINC001169494221 1132770379 /nfs/dbraw/zinc/77/03/79/1132770379.db2.gz FVAFRBDMPWDOJN-UKRRQHHQSA-N 1 2 332.513 3.664 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@@H]1CCCO1 ZINC001169494220 1132770576 /nfs/dbraw/zinc/77/05/76/1132770576.db2.gz FVAFRBDMPWDOJN-HIFRSBDPSA-N 1 2 332.513 3.664 20 30 EHEDLO N#Cc1cc(Nc2cc(Br)c3[nH+]ccn3c2)ccc1F ZINC001176613400 1132971208 /nfs/dbraw/zinc/97/12/08/1132971208.db2.gz XZVFSGSEDSESLV-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001177015925 1133022506 /nfs/dbraw/zinc/02/25/06/1133022506.db2.gz SUIYQIBVKHSTHX-KRWDZBQOSA-N 1 2 349.272 3.856 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001177015925 1133022513 /nfs/dbraw/zinc/02/25/13/1133022513.db2.gz SUIYQIBVKHSTHX-KRWDZBQOSA-N 1 2 349.272 3.856 20 30 EHEDLO CC[C@H](CSC)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000773702798 1133093929 /nfs/dbraw/zinc/09/39/29/1133093929.db2.gz RKFXAVFERYWUQA-CHWSQXEVSA-N 1 2 347.509 3.546 20 30 EHEDLO CC[C@H](CSC)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000773702798 1133093936 /nfs/dbraw/zinc/09/39/36/1133093936.db2.gz RKFXAVFERYWUQA-CHWSQXEVSA-N 1 2 347.509 3.546 20 30 EHEDLO N#Cc1ccc(-c2ccccc2NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001178117729 1133132238 /nfs/dbraw/zinc/13/22/38/1133132238.db2.gz FSCAXIBYPZQDNB-KRWDZBQOSA-N 1 2 342.402 3.623 20 30 EHEDLO Cc1cc(Br)cc(C[NH2+][C@H](C)CC#N)c1OC(F)F ZINC001179479103 1133254254 /nfs/dbraw/zinc/25/42/54/1133254254.db2.gz JFSUOBGJJDVQGC-SECBINFHSA-N 1 2 333.176 3.751 20 30 EHEDLO N#Cc1csc(C[NH2+]Cc2ccc(Br)c(Cl)c2)n1 ZINC001179681876 1133274774 /nfs/dbraw/zinc/27/47/74/1133274774.db2.gz SCHCAXHQAPGHQF-UHFFFAOYSA-N 1 2 342.649 3.720 20 30 EHEDLO Cc1cc(Cl)cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC001180178167 1133335985 /nfs/dbraw/zinc/33/59/85/1133335985.db2.gz RPTOZLSTKVOPAO-UHFFFAOYSA-N 1 2 343.833 3.981 20 30 EHEDLO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(Cl)c1 ZINC001180271892 1133354084 /nfs/dbraw/zinc/35/40/84/1133354084.db2.gz UJJXZCGGPRHIIU-UHFFFAOYSA-N 1 2 343.833 3.981 20 30 EHEDLO C=CCSCC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001180561688 1133392350 /nfs/dbraw/zinc/39/23/50/1133392350.db2.gz UTCJSMBNVQJTAZ-CQSZACIVSA-N 1 2 347.311 3.632 20 30 EHEDLO Cc1cccc(N=C2NC(=O)/C(=C\c3c[nH+]c4ccc(C)cn34)S2)c1 ZINC000771845767 1133599430 /nfs/dbraw/zinc/59/94/30/1133599430.db2.gz MQDHTJVVPUEFAA-CXUHLZMHSA-N 1 2 348.431 3.843 20 30 EHEDLO C[C@@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678380 1133996500 /nfs/dbraw/zinc/99/65/00/1133996500.db2.gz RCDFFOBEOXHMEC-QWHCGFSZSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678380 1133996507 /nfs/dbraw/zinc/99/65/07/1133996507.db2.gz RCDFFOBEOXHMEC-QWHCGFSZSA-N 1 2 327.453 3.593 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3ccc(F)cc3)o2)n1 ZINC000789761455 1134328409 /nfs/dbraw/zinc/32/84/09/1134328409.db2.gz DZHLHYWEVXJHAK-UHFFFAOYSA-N 1 2 337.398 3.938 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3ccc(F)cc3)o2)n1 ZINC000789761455 1134328415 /nfs/dbraw/zinc/32/84/15/1134328415.db2.gz DZHLHYWEVXJHAK-UHFFFAOYSA-N 1 2 337.398 3.938 20 30 EHEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccnc(Br)c2)cn1 ZINC000790177084 1134378024 /nfs/dbraw/zinc/37/80/24/1134378024.db2.gz YJZZCQKTCKANIQ-UHFFFAOYSA-N 1 2 348.248 3.530 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc(CC#N)cc1 ZINC000791427694 1134556724 /nfs/dbraw/zinc/55/67/24/1134556724.db2.gz FTKBXZMZXSSDGL-UHFFFAOYSA-N 1 2 331.375 3.604 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000005292966 1134921130 /nfs/dbraw/zinc/92/11/30/1134921130.db2.gz UKOPGUYTSPTTMC-ACRNLXFHSA-N 1 2 339.395 3.556 20 30 EHEDLO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001192292355 1134995768 /nfs/dbraw/zinc/99/57/68/1134995768.db2.gz RPTXTLNCEILEFU-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC001192292355 1134995773 /nfs/dbraw/zinc/99/57/73/1134995773.db2.gz RPTXTLNCEILEFU-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC001194164723 1135235833 /nfs/dbraw/zinc/23/58/33/1135235833.db2.gz MOENZMRSUHHXDH-SFHVURJKSA-N 1 2 339.439 3.616 20 30 EHEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC001194164723 1135235837 /nfs/dbraw/zinc/23/58/37/1135235837.db2.gz MOENZMRSUHHXDH-SFHVURJKSA-N 1 2 339.439 3.616 20 30 EHEDLO CC[C@@H]1CC([N@@H+]2CCC[C@H]2C#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170484789 1135291781 /nfs/dbraw/zinc/29/17/81/1135291781.db2.gz RIJSDEWGDNGJPJ-OAGGEKHMSA-N 1 2 335.492 3.931 20 30 EHEDLO CC[C@@H]1CC([N@H+]2CCC[C@H]2C#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170484789 1135291784 /nfs/dbraw/zinc/29/17/84/1135291784.db2.gz RIJSDEWGDNGJPJ-OAGGEKHMSA-N 1 2 335.492 3.931 20 30 EHEDLO C=CCC[C@H](OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C1CC1 ZINC000805900055 1135346736 /nfs/dbraw/zinc/34/67/36/1135346736.db2.gz GNGIIMQHUVREAG-SFHVURJKSA-N 1 2 348.512 3.952 20 30 EHEDLO C=C[C@](C)(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180697 1135576521 /nfs/dbraw/zinc/57/65/21/1135576521.db2.gz FZFISZWONKQICE-FXAWDEMLSA-N 1 2 341.455 3.805 20 30 EHEDLO C=C[C@](C)(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867180697 1135576524 /nfs/dbraw/zinc/57/65/24/1135576524.db2.gz FZFISZWONKQICE-FXAWDEMLSA-N 1 2 341.455 3.805 20 30 EHEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccccc2Cl)cs1)[C@H]1CCCO1 ZINC000775807305 1135755995 /nfs/dbraw/zinc/75/59/95/1135755995.db2.gz QZMUSYXFJZTHSD-GOEBONIOSA-N 1 2 332.856 3.734 20 30 EHEDLO COc1c(Br)cccc1C[N@H+](CCC#N)CC(C)C ZINC000775898051 1135861307 /nfs/dbraw/zinc/86/13/07/1135861307.db2.gz QJQCTRJHCVSWHQ-UHFFFAOYSA-N 1 2 325.250 3.829 20 30 EHEDLO COc1c(Br)cccc1C[N@@H+](CCC#N)CC(C)C ZINC000775898051 1135861311 /nfs/dbraw/zinc/86/13/11/1135861311.db2.gz QJQCTRJHCVSWHQ-UHFFFAOYSA-N 1 2 325.250 3.829 20 30 EHEDLO Cc1noc([C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C(C)C)n1 ZINC001198873142 1135865077 /nfs/dbraw/zinc/86/50/77/1135865077.db2.gz YTFJPLILEGTHOZ-CQSZACIVSA-N 1 2 338.333 3.755 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(Cl)cc1F ZINC000809699841 1135869850 /nfs/dbraw/zinc/86/98/50/1135869850.db2.gz TUBQYKHJEHUXKE-LJQANCHMSA-N 1 2 347.817 3.968 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000810094399 1135921115 /nfs/dbraw/zinc/92/11/15/1135921115.db2.gz NPCCVAVICLWGNG-ZWKOTPCHSA-N 1 2 346.858 3.776 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000810094399 1135921116 /nfs/dbraw/zinc/92/11/16/1135921116.db2.gz NPCCVAVICLWGNG-ZWKOTPCHSA-N 1 2 346.858 3.776 20 30 EHEDLO C[C@H](CC#N)C(=O)OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000850877440 1136314297 /nfs/dbraw/zinc/31/42/97/1136314297.db2.gz BSMZVFZYJXQNIZ-MRXNPFEDSA-N 1 2 334.419 3.553 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCc3nsc4ccccc34)CCO2)c1 ZINC000851882313 1136415642 /nfs/dbraw/zinc/41/56/42/1136415642.db2.gz YMPGMVMVRFSJQF-IBGZPJMESA-N 1 2 349.459 3.784 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCc3nsc4ccccc34)CCO2)c1 ZINC000851882313 1136415644 /nfs/dbraw/zinc/41/56/44/1136415644.db2.gz YMPGMVMVRFSJQF-IBGZPJMESA-N 1 2 349.459 3.784 20 30 EHEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000852097198 1136433014 /nfs/dbraw/zinc/43/30/14/1136433014.db2.gz MVYUKADRRSZQEL-IBGZPJMESA-N 1 2 336.395 3.592 20 30 EHEDLO C=CCC(F)(F)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000816841924 1136757077 /nfs/dbraw/zinc/75/70/77/1136757077.db2.gz WEZUGVIYRMAYJZ-UHFFFAOYSA-N 1 2 343.377 3.794 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(N2CCCC2=O)c1 ZINC000820623589 1136998691 /nfs/dbraw/zinc/99/86/91/1136998691.db2.gz BAGHIORQPWUYSL-UHFFFAOYSA-N 1 2 349.434 3.613 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000860107041 1137044755 /nfs/dbraw/zinc/04/47/55/1137044755.db2.gz YEBMYYYOTSFDPZ-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000860107041 1137044757 /nfs/dbraw/zinc/04/47/57/1137044757.db2.gz YEBMYYYOTSFDPZ-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO Cc1nc(C(C)C)ccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000339037728 1137144329 /nfs/dbraw/zinc/14/43/29/1137144329.db2.gz UQCWOZFJVZWSGY-QFIPXVFZSA-N 1 2 348.494 3.896 20 30 EHEDLO C(=[NH+]NCCCOCc1ccccc1)c1ccc(N2CCCCC2)o1 ZINC000863178327 1137172864 /nfs/dbraw/zinc/17/28/64/1137172864.db2.gz LVYJZYPULDEWRJ-UHFFFAOYSA-N 1 2 341.455 3.800 20 30 EHEDLO N#Cc1cccc(Cl)c1CN1CCC(Oc2cc[nH+]cc2)CC1 ZINC001143718422 1137191695 /nfs/dbraw/zinc/19/16/95/1137191695.db2.gz LRDXKEWUPGXVTI-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO CN(C)c1ccc(C=[NH+]NCCC(F)(F)F)c(C(F)(F)F)c1 ZINC000794548626 1137200429 /nfs/dbraw/zinc/20/04/29/1137200429.db2.gz WTMUPBLBPCHGMK-UHFFFAOYSA-N 1 2 327.272 3.647 20 30 EHEDLO Cc1c(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cccc1C(F)(F)F ZINC001143922615 1137215628 /nfs/dbraw/zinc/21/56/28/1137215628.db2.gz NFBXVMQMXGCVSX-CQSZACIVSA-N 1 2 327.371 3.788 20 30 EHEDLO Cc1c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cccc1C(F)(F)F ZINC001143922615 1137215629 /nfs/dbraw/zinc/21/56/29/1137215629.db2.gz NFBXVMQMXGCVSX-CQSZACIVSA-N 1 2 327.371 3.788 20 30 EHEDLO C=CC[C@@H]([NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1)C(=O)OC ZINC001171142862 1137243633 /nfs/dbraw/zinc/24/36/33/1137243633.db2.gz CRGXFBDNGPDVKV-IUODEOHRSA-N 1 2 328.239 3.558 20 30 EHEDLO CCn1cc(C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C(C)C)cn1 ZINC000844738302 1137251288 /nfs/dbraw/zinc/25/12/88/1137251288.db2.gz WVZXOMPDAVJRQB-UHFFFAOYSA-N 1 2 348.454 3.506 20 30 EHEDLO CCn1cc(C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C(C)C)cn1 ZINC000844738302 1137251289 /nfs/dbraw/zinc/25/12/89/1137251289.db2.gz WVZXOMPDAVJRQB-UHFFFAOYSA-N 1 2 348.454 3.506 20 30 EHEDLO N#CCC[C@@H]([NH2+]Cc1cccnc1Br)c1ccccc1 ZINC000865509032 1137290028 /nfs/dbraw/zinc/29/00/28/1137290028.db2.gz OBQWQLIGRJLANK-OAHLLOKOSA-N 1 2 330.229 3.979 20 30 EHEDLO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc(C#N)c1O ZINC000866293508 1137343285 /nfs/dbraw/zinc/34/32/85/1137343285.db2.gz QRZKQOFWQOXSKO-LBPRGKRZSA-N 1 2 332.350 3.759 20 30 EHEDLO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)c1cccc(C#N)c1O ZINC000866409005 1137352447 /nfs/dbraw/zinc/35/24/47/1137352447.db2.gz HIXHLFCAOAZMEJ-APPDUMDISA-N 1 2 348.805 3.831 20 30 EHEDLO C=C1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000348121051 1137442747 /nfs/dbraw/zinc/44/27/47/1137442747.db2.gz QAYMZXQLCDVCLA-UHFFFAOYSA-N 1 2 338.245 3.762 20 30 EHEDLO N#CCOc1ccc(C[NH+](Cc2cccnc2)Cc2cccnc2)cc1 ZINC001137119516 1137674861 /nfs/dbraw/zinc/67/48/61/1137674861.db2.gz SGALUQVPYMUHLN-UHFFFAOYSA-N 1 2 344.418 3.581 20 30 EHEDLO C=C(C)C[C@@H]([NH2+][C@@H](C)CCc1cncc2ccccc21)C(=O)OC ZINC000877691036 1137685988 /nfs/dbraw/zinc/68/59/88/1137685988.db2.gz YKFHIZGQUGPRMR-HNAYVOBHSA-N 1 2 326.440 3.653 20 30 EHEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878661109 1137724217 /nfs/dbraw/zinc/72/42/17/1137724217.db2.gz XBIAOPQBKJRBIJ-HXUWFJFHSA-N 1 2 335.407 3.790 20 30 EHEDLO CCOC(=O)c1c(C)ccnc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000878729426 1137726608 /nfs/dbraw/zinc/72/66/08/1137726608.db2.gz ZSUUSNWJTPNPMS-HNNXBMFYSA-N 1 2 337.423 3.631 20 30 EHEDLO CCOC(=O)c1c(C)ccnc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000878729426 1137726609 /nfs/dbraw/zinc/72/66/09/1137726609.db2.gz ZSUUSNWJTPNPMS-HNNXBMFYSA-N 1 2 337.423 3.631 20 30 EHEDLO C=CCCC[C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000879199021 1137740916 /nfs/dbraw/zinc/74/09/16/1137740916.db2.gz PVKRMUZIQJNPCA-IBGZPJMESA-N 1 2 325.456 3.872 20 30 EHEDLO COc1c(C)c[nH+]c(CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1C ZINC000879783853 1137758599 /nfs/dbraw/zinc/75/85/99/1137758599.db2.gz UQQJQHLEGMQMFA-KRWDZBQOSA-N 1 2 349.356 3.972 20 30 EHEDLO N#Cc1ccccc1OC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC001137168715 1137815862 /nfs/dbraw/zinc/81/58/62/1137815862.db2.gz OKIZZNOTEQFMEZ-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO C=C1CCC(CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001687541111 1138067743 /nfs/dbraw/zinc/06/77/43/1138067743.db2.gz FDDINWOJXUXAFE-MRXNPFEDSA-N 1 2 338.455 3.979 20 30 EHEDLO CC(C)(CCC#N)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000348386971 1138086670 /nfs/dbraw/zinc/08/66/70/1138086670.db2.gz XRHOVLLTHJBOCC-UHFFFAOYSA-N 1 2 349.504 3.580 20 30 EHEDLO C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129121854 1138404985 /nfs/dbraw/zinc/40/49/85/1138404985.db2.gz CTZJKKYIVOBZDO-CRAIPNDOSA-N 1 2 340.427 3.563 20 30 EHEDLO CC(C)c1noc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000264142265 1138427755 /nfs/dbraw/zinc/42/77/55/1138427755.db2.gz QUVOUHYGTLAEAE-CQSZACIVSA-N 1 2 340.427 3.669 20 30 EHEDLO N#Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000337054671 1138457132 /nfs/dbraw/zinc/45/71/32/1138457132.db2.gz ANXPKYJINSADSO-UHFFFAOYSA-N 1 2 336.782 3.709 20 30 EHEDLO COc1ccc(-c2noc([C@@H](C)[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000153410796 1139135457 /nfs/dbraw/zinc/13/54/57/1139135457.db2.gz SFNAVFOEWPYKJN-CQSZACIVSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1ccc(-c2noc([C@@H](C)[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000153410796 1139135458 /nfs/dbraw/zinc/13/54/58/1139135458.db2.gz SFNAVFOEWPYKJN-CQSZACIVSA-N 1 2 348.406 3.810 20 30 EHEDLO CCOc1cccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000180677544 1139855502 /nfs/dbraw/zinc/85/55/02/1139855502.db2.gz BEPZYHIAZVYXOM-AWEZNQCLSA-N 1 2 348.406 3.858 20 30 EHEDLO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]cccc1OCCCC#N ZINC000184289408 1140092913 /nfs/dbraw/zinc/09/29/13/1140092913.db2.gz KYUZHQRILYIHGR-UHFFFAOYSA-N 1 2 326.356 3.593 20 30 EHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000185226901 1140140886 /nfs/dbraw/zinc/14/08/86/1140140886.db2.gz PAHVJIDBRFKCES-CQSZACIVSA-N 1 2 340.452 3.530 20 30 EHEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccc(C)cc1 ZINC000185618950 1140159488 /nfs/dbraw/zinc/15/94/88/1140159488.db2.gz GBIYGRZOSBZQOR-UHFFFAOYSA-N 1 2 339.468 3.818 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000348638944 1141559679 /nfs/dbraw/zinc/55/96/79/1141559679.db2.gz CITOFGASNOMLEF-UHFFFAOYSA-N 1 2 345.487 3.919 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000348638944 1141559684 /nfs/dbraw/zinc/55/96/84/1141559684.db2.gz CITOFGASNOMLEF-UHFFFAOYSA-N 1 2 345.487 3.919 20 30 EHEDLO COc1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1OC1CCCC1 ZINC000579758207 1014383195 /nfs/dbraw/zinc/38/31/95/1014383195.db2.gz RRSYBPGNIAIYBI-HNNXBMFYSA-N 1 2 327.428 3.550 20 30 EHEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccc(Cl)cc1Br ZINC000064796785 1014841603 /nfs/dbraw/zinc/84/16/03/1014841603.db2.gz OJBOMSWKLFTXJS-JTQLQIEISA-N 1 2 331.641 3.573 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccc(Cl)cc1Br ZINC000064796785 1014841617 /nfs/dbraw/zinc/84/16/17/1014841617.db2.gz OJBOMSWKLFTXJS-JTQLQIEISA-N 1 2 331.641 3.573 20 30 EHEDLO C#C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001625821764 1015681055 /nfs/dbraw/zinc/68/10/55/1015681055.db2.gz TWSHLDHNRJZGOD-IRXDYDNUSA-N 1 2 329.831 3.614 20 30 EHEDLO C#C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001625821763 1015681349 /nfs/dbraw/zinc/68/13/49/1015681349.db2.gz TWSHLDHNRJZGOD-IAGOWNOFSA-N 1 2 329.831 3.614 20 30 EHEDLO N#CCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000340123922 1016362345 /nfs/dbraw/zinc/36/23/45/1016362345.db2.gz DOVOQIXCICDVMI-UHFFFAOYSA-N 1 2 336.782 3.844 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118394 1033966141 /nfs/dbraw/zinc/96/61/41/1033966141.db2.gz QXUOZVMOXNMXDM-CYBMUJFWSA-N 1 2 327.172 3.552 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118394 1033966160 /nfs/dbraw/zinc/96/61/60/1033966160.db2.gz QXUOZVMOXNMXDM-CYBMUJFWSA-N 1 2 327.172 3.552 20 30 EHEDLO CC(C)C[C@@H](C(=O)Nc1ccc(OC(C)C)c(C#N)c1)n1cc[nH+]c1 ZINC000602122550 1032649891 /nfs/dbraw/zinc/64/98/91/1032649891.db2.gz FNDUQVICDJDWBL-KRWDZBQOSA-N 1 2 340.427 3.768 20 30 EHEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001210121500 1017153746 /nfs/dbraw/zinc/15/37/46/1017153746.db2.gz MDUZWFRLJLRQRN-IBGZPJMESA-N 1 2 325.415 3.881 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1ccccc1C#N ZINC000340448086 1017865046 /nfs/dbraw/zinc/86/50/46/1017865046.db2.gz RDTTYHYHVVNLBE-RYUDHWBXSA-N 1 2 329.350 3.514 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c(F)c1 ZINC000528764573 1032738553 /nfs/dbraw/zinc/73/85/53/1032738553.db2.gz XUZXBYHLGIBPKT-UHFFFAOYSA-N 1 2 334.398 3.501 20 30 EHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)cnn1-c1ccc(F)cc1 ZINC000255208065 1019338720 /nfs/dbraw/zinc/33/87/20/1019338720.db2.gz LJAYWHNLLYINFS-KTKRTIGZSA-N 1 2 346.365 3.864 20 30 EHEDLO N#CCC[C@H](C#N)C[NH+]1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000414155329 1019865228 /nfs/dbraw/zinc/86/52/28/1019865228.db2.gz NBZFAACKNAQCLQ-HXUWFJFHSA-N 1 2 329.447 3.926 20 30 EHEDLO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1nc(C(F)(F)F)cs1 ZINC000602558443 1032971016 /nfs/dbraw/zinc/97/10/16/1032971016.db2.gz AIXZHJPPKYAMJH-LLVKDONJSA-N 1 2 326.347 3.669 20 30 EHEDLO CCCCCCCCCCCCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001270766983 1021346254 /nfs/dbraw/zinc/34/62/54/1021346254.db2.gz GEMFYPWLMFBYSQ-OALUTQOASA-N 1 2 338.536 3.839 20 30 EHEDLO CCCCCCCCCCCCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001270766983 1021346273 /nfs/dbraw/zinc/34/62/73/1021346273.db2.gz GEMFYPWLMFBYSQ-OALUTQOASA-N 1 2 338.536 3.839 20 30 EHEDLO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000729475477 1021478928 /nfs/dbraw/zinc/47/89/28/1021478928.db2.gz VQHZCBKAFYCDDQ-GUYCJALGSA-N 1 2 341.480 3.983 20 30 EHEDLO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000729475477 1021478932 /nfs/dbraw/zinc/47/89/32/1021478932.db2.gz VQHZCBKAFYCDDQ-GUYCJALGSA-N 1 2 341.480 3.983 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(Br)cc1 ZINC000894869808 1021542645 /nfs/dbraw/zinc/54/26/45/1021542645.db2.gz DQKIGXQTIDCYRK-KRWDZBQOSA-N 1 2 341.252 3.797 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc(COC)o1)c1ccc(Br)cc1 ZINC000894870406 1021543998 /nfs/dbraw/zinc/54/39/98/1021543998.db2.gz LHRKTKUAFJIOLM-INIZCTEOSA-N 1 2 334.213 3.653 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(Br)cc1 ZINC000894870769 1021546400 /nfs/dbraw/zinc/54/64/00/1021546400.db2.gz OVUNCXXGYOHUPE-QGZVFWFLSA-N 1 2 344.256 3.520 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000550306386 1021566159 /nfs/dbraw/zinc/56/61/59/1021566159.db2.gz YFCYBDBIDLBKHP-HIFRSBDPSA-N 1 2 342.487 3.761 20 30 EHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)c1C#N ZINC000550306386 1021566174 /nfs/dbraw/zinc/56/61/74/1021566174.db2.gz YFCYBDBIDLBKHP-HIFRSBDPSA-N 1 2 342.487 3.761 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437581680 1021974822 /nfs/dbraw/zinc/97/48/22/1021974822.db2.gz MEIVUFBBZSQOOT-ACJLOTCBSA-N 1 2 339.826 3.986 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437581680 1021974831 /nfs/dbraw/zinc/97/48/31/1021974831.db2.gz MEIVUFBBZSQOOT-ACJLOTCBSA-N 1 2 339.826 3.986 20 30 EHEDLO C=CC[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000426593450 1022005378 /nfs/dbraw/zinc/00/53/78/1022005378.db2.gz OCNMYSLOHDIYEW-LJQANCHMSA-N 1 2 340.492 3.752 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)s1 ZINC000506116140 1022097062 /nfs/dbraw/zinc/09/70/62/1022097062.db2.gz QHMOCQICRYJOBD-UHFFFAOYSA-N 1 2 331.872 3.591 20 30 EHEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000330826739 1022682300 /nfs/dbraw/zinc/68/23/00/1022682300.db2.gz IVVNOLZMNJANAM-UFBFGSQYSA-N 1 2 346.645 3.867 20 30 EHEDLO CC(=O)N(c1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1)c1ccccc1 ZINC000602694336 1033072778 /nfs/dbraw/zinc/07/27/78/1033072778.db2.gz KXIGYAMHEVETQA-LSDHHAIUSA-N 1 2 340.452 3.610 20 30 EHEDLO C=C(C)C(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665010392 1022709130 /nfs/dbraw/zinc/70/91/30/1022709130.db2.gz BMUQKTULOLXWLU-WBVHZDCISA-N 1 2 341.455 3.885 20 30 EHEDLO C=C(C)C(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665010392 1022709144 /nfs/dbraw/zinc/70/91/44/1022709144.db2.gz BMUQKTULOLXWLU-WBVHZDCISA-N 1 2 341.455 3.885 20 30 EHEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000506296161 1022844192 /nfs/dbraw/zinc/84/41/92/1022844192.db2.gz XDGIGUITWVCBCR-UHFFFAOYSA-N 1 2 345.899 3.981 20 30 EHEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000506296161 1022844205 /nfs/dbraw/zinc/84/42/05/1022844205.db2.gz XDGIGUITWVCBCR-UHFFFAOYSA-N 1 2 345.899 3.981 20 30 EHEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000127208749 1022895104 /nfs/dbraw/zinc/89/51/04/1022895104.db2.gz VMGCYISKKDBYBD-MSOLQXFVSA-N 1 2 334.410 3.595 20 30 EHEDLO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000127208749 1022895112 /nfs/dbraw/zinc/89/51/12/1022895112.db2.gz VMGCYISKKDBYBD-MSOLQXFVSA-N 1 2 334.410 3.595 20 30 EHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000426162858 1023021985 /nfs/dbraw/zinc/02/19/85/1023021985.db2.gz QRYRIMANKFEBMJ-MLGOLLRUSA-N 1 2 343.818 3.523 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000510774838 1023147625 /nfs/dbraw/zinc/14/76/25/1023147625.db2.gz ZZOZHHUMAFWGJQ-HXUWFJFHSA-N 1 2 348.446 3.826 20 30 EHEDLO CC[N@H+](Cc1ccncc1)Cc1cc(C#N)ccc1Br ZINC000276850000 1023214563 /nfs/dbraw/zinc/21/45/63/1023214563.db2.gz DJUCRVORBKBSOB-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC[N@@H+](Cc1ccncc1)Cc1cc(C#N)ccc1Br ZINC000276850000 1023214569 /nfs/dbraw/zinc/21/45/69/1023214569.db2.gz DJUCRVORBKBSOB-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1=O ZINC000410326994 1023312628 /nfs/dbraw/zinc/31/26/28/1023312628.db2.gz QNLRSOIMWGANAT-CVEARBPZSA-N 1 2 339.266 3.917 20 30 EHEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1=O ZINC000410326994 1023312637 /nfs/dbraw/zinc/31/26/37/1023312637.db2.gz QNLRSOIMWGANAT-CVEARBPZSA-N 1 2 339.266 3.917 20 30 EHEDLO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@@H](C)C#N ZINC000091983362 1023336201 /nfs/dbraw/zinc/33/62/01/1023336201.db2.gz HEJBBMTYINVKJL-ZDUSSCGKSA-N 1 2 343.383 3.845 20 30 EHEDLO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@@H](C)C#N ZINC000091983362 1023336208 /nfs/dbraw/zinc/33/62/08/1023336208.db2.gz HEJBBMTYINVKJL-ZDUSSCGKSA-N 1 2 343.383 3.845 20 30 EHEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000610729618 1023369581 /nfs/dbraw/zinc/36/95/81/1023369581.db2.gz UPMUKGWZYLYNSW-MRXNPFEDSA-N 1 2 346.381 3.539 20 30 EHEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000610729618 1023369586 /nfs/dbraw/zinc/36/95/86/1023369586.db2.gz UPMUKGWZYLYNSW-MRXNPFEDSA-N 1 2 346.381 3.539 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)c1 ZINC000341961795 1023722481 /nfs/dbraw/zinc/72/24/81/1023722481.db2.gz YRQFLKKKQRCXLJ-UHFFFAOYSA-N 1 2 349.825 3.571 20 30 EHEDLO N#Cc1cc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccn1 ZINC000610991312 1023963957 /nfs/dbraw/zinc/96/39/57/1023963957.db2.gz FEWDODWMSKDPMF-PHIMTYICSA-N 1 2 337.267 3.516 20 30 EHEDLO N#Cc1cc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccn1 ZINC000610991312 1023963970 /nfs/dbraw/zinc/96/39/70/1023963970.db2.gz FEWDODWMSKDPMF-PHIMTYICSA-N 1 2 337.267 3.516 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CC(C)C)CC(C)C)Cc1cccc(C#N)c1 ZINC000063300742 1033178910 /nfs/dbraw/zinc/17/89/10/1033178910.db2.gz LTOZNFQPYKDCRF-UHFFFAOYSA-N 1 2 341.499 3.687 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CC(C)C)CC(C)C)Cc1cccc(C#N)c1 ZINC000063300742 1033178933 /nfs/dbraw/zinc/17/89/33/1033178933.db2.gz LTOZNFQPYKDCRF-UHFFFAOYSA-N 1 2 341.499 3.687 20 30 EHEDLO C=CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000342116553 1024135973 /nfs/dbraw/zinc/13/59/73/1024135973.db2.gz AHRBIHXMRXRRMD-UHFFFAOYSA-N 1 2 337.354 3.829 20 30 EHEDLO C[C@H]1CCN(C([O-])=[NH+]c2ncc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000329881874 1024234329 /nfs/dbraw/zinc/23/43/29/1024234329.db2.gz PBSILQUIBKDVFT-QWHCGFSZSA-N 1 2 347.488 3.766 20 30 EHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330026028 1024294349 /nfs/dbraw/zinc/29/43/49/1024294349.db2.gz LBBCMJDESJYODG-GFCCVEGCSA-N 1 2 349.381 3.681 20 30 EHEDLO CC1CCC(N(C(=O)NCc2cn3c([nH+]2)CCCC3)C2CC2)CC1 ZINC000330144894 1024334533 /nfs/dbraw/zinc/33/45/33/1024334533.db2.gz ZXPFMQOJWRCQSL-UHFFFAOYSA-N 1 2 330.476 3.677 20 30 EHEDLO COc1ccccc1/C=C/C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000434990308 1024545268 /nfs/dbraw/zinc/54/52/68/1024545268.db2.gz GPWJTWUSRYTNOJ-AKERNLMBSA-N 1 2 347.462 3.591 20 30 EHEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CCCOC2)CC1 ZINC001141816880 1024601940 /nfs/dbraw/zinc/60/19/40/1024601940.db2.gz NXSFCSOVPMMGBV-UHFFFAOYSA-N 1 2 349.272 3.713 20 30 EHEDLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909806 1033240783 /nfs/dbraw/zinc/24/07/83/1033240783.db2.gz AZSIJNSXNWXZRB-ZDUSSCGKSA-N 1 2 339.443 3.574 20 30 EHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000602894274 1033246889 /nfs/dbraw/zinc/24/68/89/1033246889.db2.gz JSRUZAUPZIMSDR-UHFFFAOYSA-N 1 2 349.482 3.946 20 30 EHEDLO N#Cc1ccc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000054224706 1024963618 /nfs/dbraw/zinc/96/36/18/1024963618.db2.gz AIMGIHJBYMCQAK-VMPITWQZSA-N 1 2 332.338 3.535 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508318384 1025033243 /nfs/dbraw/zinc/03/32/43/1025033243.db2.gz UALWPLQLZHDSDT-ROUUACIJSA-N 1 2 344.499 3.720 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508318384 1025033254 /nfs/dbraw/zinc/03/32/54/1025033254.db2.gz UALWPLQLZHDSDT-ROUUACIJSA-N 1 2 344.499 3.720 20 30 EHEDLO Cc1oc(C#N)cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000435681934 1025064817 /nfs/dbraw/zinc/06/48/17/1025064817.db2.gz CTDVPYONEQHZEU-UHFFFAOYSA-N 1 2 326.743 3.551 20 30 EHEDLO Fc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(F)c1F ZINC000896223950 1025245362 /nfs/dbraw/zinc/24/53/62/1025245362.db2.gz BUNJRKAAODIBML-LBPRGKRZSA-N 1 2 327.243 3.970 20 30 EHEDLO Fc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(F)c1F ZINC000896223950 1025245371 /nfs/dbraw/zinc/24/53/71/1025245371.db2.gz BUNJRKAAODIBML-LBPRGKRZSA-N 1 2 327.243 3.970 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(OC(F)F)c1 ZINC000346999138 1025377842 /nfs/dbraw/zinc/37/78/42/1025377842.db2.gz PIWBAXMQPASHIN-INIZCTEOSA-N 1 2 329.350 3.892 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(OC(F)F)c1 ZINC000346999138 1025377856 /nfs/dbraw/zinc/37/78/56/1025377856.db2.gz PIWBAXMQPASHIN-INIZCTEOSA-N 1 2 329.350 3.892 20 30 EHEDLO C[C@@H](C#N)N(CCCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC000425533854 1025658123 /nfs/dbraw/zinc/65/81/23/1025658123.db2.gz LNCGWTOPLOWENG-AWEZNQCLSA-N 1 2 336.361 3.706 20 30 EHEDLO CCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000451521824 1026072530 /nfs/dbraw/zinc/07/25/30/1026072530.db2.gz AFLOWSQIPFCIHO-WBMJQRKESA-N 1 2 337.261 3.568 20 30 EHEDLO CCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000451521824 1026072545 /nfs/dbraw/zinc/07/25/45/1026072545.db2.gz AFLOWSQIPFCIHO-WBMJQRKESA-N 1 2 337.261 3.568 20 30 EHEDLO N#CCc1cc[nH+]c(NCc2c(F)cccc2OC(F)(F)F)c1 ZINC000559986265 1026194241 /nfs/dbraw/zinc/19/42/41/1026194241.db2.gz AVIPXBJPYCWURC-UHFFFAOYSA-N 1 2 325.265 3.797 20 30 EHEDLO CC(C)[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCCO1 ZINC000339817273 1026665294 /nfs/dbraw/zinc/66/52/94/1026665294.db2.gz BMHDQLVDHTZLEG-INIZCTEOSA-N 1 2 337.261 3.568 20 30 EHEDLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCCO1 ZINC000339817273 1026665302 /nfs/dbraw/zinc/66/53/02/1026665302.db2.gz BMHDQLVDHTZLEG-INIZCTEOSA-N 1 2 337.261 3.568 20 30 EHEDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075586830 1027175631 /nfs/dbraw/zinc/17/56/31/1027175631.db2.gz NFXSIILJAZYKDQ-CYBMUJFWSA-N 1 2 336.370 3.940 20 30 EHEDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075586830 1027175645 /nfs/dbraw/zinc/17/56/45/1027175645.db2.gz NFXSIILJAZYKDQ-CYBMUJFWSA-N 1 2 336.370 3.940 20 30 EHEDLO N#Cc1ccccc1C(F)(F)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001625981259 1027870800 /nfs/dbraw/zinc/87/08/00/1027870800.db2.gz GMNCBYOTWOQBNJ-UHFFFAOYSA-N 1 2 338.317 3.679 20 30 EHEDLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502544499 1028329726 /nfs/dbraw/zinc/32/97/26/1028329726.db2.gz PIMOZQOJYOHDJV-HXUWFJFHSA-N 1 2 332.403 3.562 20 30 EHEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502544499 1028329744 /nfs/dbraw/zinc/32/97/44/1028329744.db2.gz PIMOZQOJYOHDJV-HXUWFJFHSA-N 1 2 332.403 3.562 20 30 EHEDLO Cc1cc(C)c(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c[nH+]1 ZINC000455564912 1028482863 /nfs/dbraw/zinc/48/28/63/1028482863.db2.gz VXXQNEYUIKNYPD-PMACEKPBSA-N 1 2 348.450 3.680 20 30 EHEDLO COc1cc(F)c(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)cc1OC ZINC000760268944 1028534947 /nfs/dbraw/zinc/53/49/47/1028534947.db2.gz CZCKERAKVPDJGW-BQYQJAHWSA-N 1 2 340.354 3.695 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000245730637 1029185308 /nfs/dbraw/zinc/18/53/08/1029185308.db2.gz JRBXCYMUVIOWHE-MGPUTAFESA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000245730637 1029185320 /nfs/dbraw/zinc/18/53/20/1029185320.db2.gz JRBXCYMUVIOWHE-MGPUTAFESA-N 1 2 340.398 3.690 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424758946 1029314460 /nfs/dbraw/zinc/31/44/60/1029314460.db2.gz CBWWJKJEYHZCGU-CVEARBPZSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424758946 1029314471 /nfs/dbraw/zinc/31/44/71/1029314471.db2.gz CBWWJKJEYHZCGU-CVEARBPZSA-N 1 2 338.854 3.943 20 30 EHEDLO Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(C)(C#N)CC3)n2)cc1F ZINC000272536017 1029502124 /nfs/dbraw/zinc/50/21/24/1029502124.db2.gz JCADMLOIVOIMQU-ZDUSSCGKSA-N 1 2 328.391 3.871 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C)(C#N)CC1 ZINC000272651224 1029552252 /nfs/dbraw/zinc/55/22/52/1029552252.db2.gz ZKBYQWCFVSRKDY-LBPRGKRZSA-N 1 2 339.361 3.658 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(C#N)cc1 ZINC000340424671 1029872437 /nfs/dbraw/zinc/87/24/37/1029872437.db2.gz KJTMZBXLKWIMPU-QWRGUYRKSA-N 1 2 331.217 3.523 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246109031 1030347317 /nfs/dbraw/zinc/34/73/17/1030347317.db2.gz JOCYZZFMROMEPS-CVEARBPZSA-N 1 2 349.887 3.510 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246109031 1030347332 /nfs/dbraw/zinc/34/73/32/1030347332.db2.gz JOCYZZFMROMEPS-CVEARBPZSA-N 1 2 349.887 3.510 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(OCC4CC4)cc3)CCO2)c1 ZINC000483249742 1031061625 /nfs/dbraw/zinc/06/16/25/1031061625.db2.gz KFTPNYNQLBYFSH-QFIPXVFZSA-N 1 2 348.446 3.921 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(OCC4CC4)cc3)CCO2)c1 ZINC000483249742 1031061638 /nfs/dbraw/zinc/06/16/38/1031061638.db2.gz KFTPNYNQLBYFSH-QFIPXVFZSA-N 1 2 348.446 3.921 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000483431977 1031166636 /nfs/dbraw/zinc/16/66/36/1031166636.db2.gz FQMXUVAASRQVHN-OAQYLSRUSA-N 1 2 339.435 3.531 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000483431977 1031166647 /nfs/dbraw/zinc/16/66/47/1031166647.db2.gz FQMXUVAASRQVHN-OAQYLSRUSA-N 1 2 339.435 3.531 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(C4CC4)cs3)CC2)c1 ZINC000343538142 1031302231 /nfs/dbraw/zinc/30/22/31/1031302231.db2.gz SJMBMLCJKZUVOG-UHFFFAOYSA-N 1 2 339.464 3.936 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)c2ncc(Cl)c(C)c2C#N)c1C ZINC000343541011 1031318973 /nfs/dbraw/zinc/31/89/73/1031318973.db2.gz WYNPCEGCJMMBJJ-UHFFFAOYSA-N 1 2 330.819 3.572 20 30 EHEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Cl)s1 ZINC000139768871 1033302016 /nfs/dbraw/zinc/30/20/16/1033302016.db2.gz LVAQJUBNKNARRZ-UHFFFAOYSA-N 1 2 347.871 3.780 20 30 EHEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Cl)s1 ZINC000139768871 1033302032 /nfs/dbraw/zinc/30/20/32/1033302032.db2.gz LVAQJUBNKNARRZ-UHFFFAOYSA-N 1 2 347.871 3.780 20 30 EHEDLO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC000898106803 1033353562 /nfs/dbraw/zinc/35/35/62/1033353562.db2.gz BDXNYNTVLMXZPB-LRDDRELGSA-N 1 2 332.398 3.706 20 30 EHEDLO CC[NH+](CC)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000255637542 1033868073 /nfs/dbraw/zinc/86/80/73/1033868073.db2.gz JIJGSVTVXVRSEX-YNGKYYQNSA-N 1 2 341.411 3.802 20 30 EHEDLO Cc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1C#N ZINC000599319118 1033868996 /nfs/dbraw/zinc/86/89/96/1033868996.db2.gz BQTRCBLHJLTOBL-UHFFFAOYSA-N 1 2 346.434 3.926 20 30 EHEDLO Cc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1C#N ZINC000599319118 1033869005 /nfs/dbraw/zinc/86/90/05/1033869005.db2.gz BQTRCBLHJLTOBL-UHFFFAOYSA-N 1 2 346.434 3.926 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000595615278 1033928653 /nfs/dbraw/zinc/92/86/53/1033928653.db2.gz PQYJOHKQMSYYSR-CYBMUJFWSA-N 1 2 341.436 3.664 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000595615278 1033928661 /nfs/dbraw/zinc/92/86/61/1033928661.db2.gz PQYJOHKQMSYYSR-CYBMUJFWSA-N 1 2 341.436 3.664 20 30 EHEDLO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1C#N ZINC000595717617 1033960845 /nfs/dbraw/zinc/96/08/45/1033960845.db2.gz PEMPFMOFGVIXFF-IBGZPJMESA-N 1 2 338.407 3.514 20 30 EHEDLO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1C#N ZINC000595717617 1033960852 /nfs/dbraw/zinc/96/08/52/1033960852.db2.gz PEMPFMOFGVIXFF-IBGZPJMESA-N 1 2 338.407 3.514 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCSCC#N ZINC000595914913 1034030866 /nfs/dbraw/zinc/03/08/66/1034030866.db2.gz GNHPVQPYAQWZMY-KRWDZBQOSA-N 1 2 346.496 3.574 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCSCC#N ZINC000595914913 1034030879 /nfs/dbraw/zinc/03/08/79/1034030879.db2.gz GNHPVQPYAQWZMY-KRWDZBQOSA-N 1 2 346.496 3.574 20 30 EHEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCSCC#N ZINC000595914915 1034031042 /nfs/dbraw/zinc/03/10/42/1034031042.db2.gz GNHPVQPYAQWZMY-QGZVFWFLSA-N 1 2 346.496 3.574 20 30 EHEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCSCC#N ZINC000595914915 1034031050 /nfs/dbraw/zinc/03/10/50/1034031050.db2.gz GNHPVQPYAQWZMY-QGZVFWFLSA-N 1 2 346.496 3.574 20 30 EHEDLO Cc1cc(Br)c(C[NH2+]C[C@@H](C)C#N)cc1Br ZINC000529543551 1034148281 /nfs/dbraw/zinc/14/82/81/1034148281.db2.gz UQNGXFAVHMCSEX-QMMMGPOBSA-N 1 2 346.066 3.769 20 30 EHEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000537618893 1034206715 /nfs/dbraw/zinc/20/67/15/1034206715.db2.gz PFEKJODKKAESPC-DOTOQJQBSA-N 1 2 332.469 3.564 20 30 EHEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000537618893 1034206732 /nfs/dbraw/zinc/20/67/32/1034206732.db2.gz PFEKJODKKAESPC-DOTOQJQBSA-N 1 2 332.469 3.564 20 30 EHEDLO Nc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)[nH+]cc1F ZINC001168409975 1034346141 /nfs/dbraw/zinc/34/61/41/1034346141.db2.gz CVEHLWJKQLBAKM-UHFFFAOYSA-N 1 2 331.350 3.980 20 30 EHEDLO C[C@H](CC#N)N(C)Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000450485529 1034412803 /nfs/dbraw/zinc/41/28/03/1034412803.db2.gz PNYHOTRYOQIGOW-GASCZTMLSA-N 1 2 332.879 3.808 20 30 EHEDLO C[C@H](CC#N)N(C)Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000450485529 1034412809 /nfs/dbraw/zinc/41/28/09/1034412809.db2.gz PNYHOTRYOQIGOW-GASCZTMLSA-N 1 2 332.879 3.808 20 30 EHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Cl)cc(CN(C)[C@@H](C)CC#N)c1 ZINC000450485529 1034412819 /nfs/dbraw/zinc/41/28/19/1034412819.db2.gz PNYHOTRYOQIGOW-GASCZTMLSA-N 1 2 332.879 3.808 20 30 EHEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Cl)cc(CN(C)[C@@H](C)CC#N)c1 ZINC000450485529 1034412828 /nfs/dbraw/zinc/41/28/28/1034412828.db2.gz PNYHOTRYOQIGOW-GASCZTMLSA-N 1 2 332.879 3.808 20 30 EHEDLO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000615223950 1034475931 /nfs/dbraw/zinc/47/59/31/1034475931.db2.gz GIRJVFUCHKNBIW-UHFFFAOYSA-N 1 2 339.826 3.728 20 30 EHEDLO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000615223950 1034475936 /nfs/dbraw/zinc/47/59/36/1034475936.db2.gz GIRJVFUCHKNBIW-UHFFFAOYSA-N 1 2 339.826 3.728 20 30 EHEDLO N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000450535604 1034507435 /nfs/dbraw/zinc/50/74/35/1034507435.db2.gz ONAILCLYZPRFGE-SHTZXODSSA-N 1 2 337.383 3.697 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597175345 1034581523 /nfs/dbraw/zinc/58/15/23/1034581523.db2.gz YEZUVVRCIMTBLY-ZDUSSCGKSA-N 1 2 342.424 3.844 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597175345 1034581530 /nfs/dbraw/zinc/58/15/30/1034581530.db2.gz YEZUVVRCIMTBLY-ZDUSSCGKSA-N 1 2 342.424 3.844 20 30 EHEDLO C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000597256950 1034629240 /nfs/dbraw/zinc/62/92/40/1034629240.db2.gz BIFJOIFBMUAFBI-SYNHAJSKSA-N 1 2 336.439 3.520 20 30 EHEDLO Cc1cc(Br)cc(C[NH2+]CC(C)(C)C#N)c1OC(F)F ZINC000612587904 1035081804 /nfs/dbraw/zinc/08/18/04/1035081804.db2.gz BAENMPQYQQPPSE-UHFFFAOYSA-N 1 2 347.203 3.998 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000442673428 1035663321 /nfs/dbraw/zinc/66/33/21/1035663321.db2.gz RVCBDJMQRFAZRX-KRWDZBQOSA-N 1 2 330.435 3.996 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000442673428 1035663341 /nfs/dbraw/zinc/66/33/41/1035663341.db2.gz RVCBDJMQRFAZRX-KRWDZBQOSA-N 1 2 330.435 3.996 20 30 EHEDLO C=C(C)[C@H]([NH2+]Cc1cc(-c2cnn(C)c2)no1)c1ccc(F)c(F)c1 ZINC000187780168 1035860313 /nfs/dbraw/zinc/86/03/13/1035860313.db2.gz YUKNLKHGMPTQPD-SFHVURJKSA-N 1 2 344.365 3.760 20 30 EHEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000055971093 1035891259 /nfs/dbraw/zinc/89/12/59/1035891259.db2.gz NJJOVDGLHWIACD-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000055971093 1035891278 /nfs/dbraw/zinc/89/12/78/1035891278.db2.gz NJJOVDGLHWIACD-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000613462448 1035942970 /nfs/dbraw/zinc/94/29/70/1035942970.db2.gz RUYNMXNDSKCKIY-UHFFFAOYSA-N 1 2 329.271 3.850 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000613462448 1035942994 /nfs/dbraw/zinc/94/29/94/1035942994.db2.gz RUYNMXNDSKCKIY-UHFFFAOYSA-N 1 2 329.271 3.850 20 30 EHEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000582595146 1036007185 /nfs/dbraw/zinc/00/71/85/1036007185.db2.gz VBXXIVIZSIUHEF-RTBURBONSA-N 1 2 335.455 3.965 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000491308049 1036020720 /nfs/dbraw/zinc/02/07/20/1036020720.db2.gz SGCVYESWPLQFKZ-HNNXBMFYSA-N 1 2 330.771 3.721 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3c(Cl)nc4sccn43)n2c1 ZINC000255891928 1036175009 /nfs/dbraw/zinc/17/50/09/1036175009.db2.gz OWZLHSUHLFOJRH-ARJAWSKDSA-N 1 2 342.811 3.901 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000165002243 1036193763 /nfs/dbraw/zinc/19/37/63/1036193763.db2.gz XMQZNSURKHCLBF-LIRRHRJNSA-N 1 2 347.890 3.920 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000165002243 1036193781 /nfs/dbraw/zinc/19/37/81/1036193781.db2.gz XMQZNSURKHCLBF-LIRRHRJNSA-N 1 2 347.890 3.920 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000414258112 1036314388 /nfs/dbraw/zinc/31/43/88/1036314388.db2.gz PBCGCILGXSXRAV-HNNXBMFYSA-N 1 2 346.356 3.924 20 30 EHEDLO C=CCC1(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CCC1 ZINC000191258322 1036354791 /nfs/dbraw/zinc/35/47/91/1036354791.db2.gz OJUJTHYOFNKUHS-QGZVFWFLSA-N 1 2 342.483 3.647 20 30 EHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nc1C ZINC000442771612 1036573154 /nfs/dbraw/zinc/57/31/54/1036573154.db2.gz UHAFUSZHRLNKLR-YPMHNXCESA-N 1 2 343.452 3.912 20 30 EHEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000462920554 1037559168 /nfs/dbraw/zinc/55/91/68/1037559168.db2.gz ZTSSYKPROIMOIL-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000532556509 1037624689 /nfs/dbraw/zinc/62/46/89/1037624689.db2.gz LSPWCGAPLSJOBO-GFCCVEGCSA-N 1 2 327.255 3.823 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](C)CC2CCCC2)c1=S ZINC000058207445 1037654273 /nfs/dbraw/zinc/65/42/73/1037654273.db2.gz NUBDVMVRCCDSEK-UHFFFAOYSA-N 1 2 332.473 3.940 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](C)CC2CCCC2)c1=S ZINC000058207445 1037654290 /nfs/dbraw/zinc/65/42/90/1037654290.db2.gz NUBDVMVRCCDSEK-UHFFFAOYSA-N 1 2 332.473 3.940 20 30 EHEDLO Cc1cc(Br)ccc1C[N@@H+](C)Cc1ccncc1C#N ZINC000592117381 1037838084 /nfs/dbraw/zinc/83/80/84/1037838084.db2.gz XYEODBLUUCVKST-UHFFFAOYSA-N 1 2 330.229 3.656 20 30 EHEDLO Cc1cc(Br)ccc1C[N@H+](C)Cc1ccncc1C#N ZINC000592117381 1037838106 /nfs/dbraw/zinc/83/81/06/1037838106.db2.gz XYEODBLUUCVKST-UHFFFAOYSA-N 1 2 330.229 3.656 20 30 EHEDLO COc1ccc(Br)cc1C1([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000592372865 1037921622 /nfs/dbraw/zinc/92/16/22/1037921622.db2.gz YOSBDHXVOBWXDT-UHFFFAOYSA-N 1 2 347.212 3.701 20 30 EHEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000592523191 1038003747 /nfs/dbraw/zinc/00/37/47/1038003747.db2.gz XCLCYZRJNNIPHJ-SFHVURJKSA-N 1 2 334.847 3.512 20 30 EHEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000592523191 1038003766 /nfs/dbraw/zinc/00/37/66/1038003766.db2.gz XCLCYZRJNNIPHJ-SFHVURJKSA-N 1 2 334.847 3.512 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@H+](C)CC(C)(C)C#N)o2)cc1 ZINC000590372187 1038246855 /nfs/dbraw/zinc/24/68/55/1038246855.db2.gz UVHCZZCVTKCNCS-UHFFFAOYSA-N 1 2 326.396 3.715 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@@H+](C)CC(C)(C)C#N)o2)cc1 ZINC000590372187 1038246864 /nfs/dbraw/zinc/24/68/64/1038246864.db2.gz UVHCZZCVTKCNCS-UHFFFAOYSA-N 1 2 326.396 3.715 20 30 EHEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000505271743 1038366336 /nfs/dbraw/zinc/36/63/36/1038366336.db2.gz IEKACIXKFWAHNF-UHFFFAOYSA-N 1 2 328.435 3.898 20 30 EHEDLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000505271743 1038366344 /nfs/dbraw/zinc/36/63/44/1038366344.db2.gz IEKACIXKFWAHNF-UHFFFAOYSA-N 1 2 328.435 3.898 20 30 EHEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000538724106 1038489364 /nfs/dbraw/zinc/48/93/64/1038489364.db2.gz RTFLYDAAJQVDKV-YOEHRIQHSA-N 1 2 332.469 3.564 20 30 EHEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000538724106 1038489371 /nfs/dbraw/zinc/48/93/71/1038489371.db2.gz RTFLYDAAJQVDKV-YOEHRIQHSA-N 1 2 332.469 3.564 20 30 EHEDLO Cc1cc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)ccc1C#N ZINC000488245476 1038999703 /nfs/dbraw/zinc/99/97/03/1038999703.db2.gz GMHCNZBZWKFUEW-ZDUSSCGKSA-N 1 2 336.370 3.907 20 30 EHEDLO Cc1cccn2cc(C[S@@](=O)CCC3(C#N)CCCCC3)[nH+]c12 ZINC000417143969 1039454061 /nfs/dbraw/zinc/45/40/61/1039454061.db2.gz HLRZTPNAJISXOR-QHCPKHFHSA-N 1 2 329.469 3.756 20 30 EHEDLO C=CCCC[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccccc1 ZINC000898912799 1039706216 /nfs/dbraw/zinc/70/62/16/1039706216.db2.gz QBWAABNYSPWRIL-SFHVURJKSA-N 1 2 325.456 3.875 20 30 EHEDLO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000512701635 1040563491 /nfs/dbraw/zinc/56/34/91/1040563491.db2.gz RTMQHVFCIQFKKN-IEBWSBKVSA-N 1 2 341.499 3.749 20 30 EHEDLO Cc1cn(C(C)(C)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c[nH+]1 ZINC000908686057 1040574982 /nfs/dbraw/zinc/57/49/82/1040574982.db2.gz JYQZZKUWDCGISJ-UHFFFAOYSA-N 1 2 340.427 3.614 20 30 EHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000555527830 1040765864 /nfs/dbraw/zinc/76/58/64/1040765864.db2.gz SPBLICPYASUYDO-XPKDYRNWSA-N 1 2 340.345 3.651 20 30 EHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000555527830 1040765883 /nfs/dbraw/zinc/76/58/83/1040765883.db2.gz SPBLICPYASUYDO-XPKDYRNWSA-N 1 2 340.345 3.651 20 30 EHEDLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000123707694 1040926507 /nfs/dbraw/zinc/92/65/07/1040926507.db2.gz KCUZFHQYDCQMJD-UHFFFAOYSA-N 1 2 342.874 3.937 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000054183579 1041544795 /nfs/dbraw/zinc/54/47/95/1041544795.db2.gz MJVUJBUJFJCACX-NSHDSACASA-N 1 2 333.176 3.832 20 30 EHEDLO C=CC[N@H+](Cc1ncc(Br)cc1Cl)[C@H](C)COC ZINC000661239376 1042022533 /nfs/dbraw/zinc/02/25/33/1042022533.db2.gz KVTNDMLCIHAHHU-SNVBAGLBSA-N 1 2 333.657 3.520 20 30 EHEDLO C=CC[N@@H+](Cc1ncc(Br)cc1Cl)[C@H](C)COC ZINC000661239376 1042022541 /nfs/dbraw/zinc/02/25/41/1042022541.db2.gz KVTNDMLCIHAHHU-SNVBAGLBSA-N 1 2 333.657 3.520 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184984090 1126728952 /nfs/dbraw/zinc/72/89/52/1126728952.db2.gz XXJOVLMTMYVPNC-ZIAGYGMSSA-N 1 2 332.473 3.938 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184984090 1126728954 /nfs/dbraw/zinc/72/89/54/1126728954.db2.gz XXJOVLMTMYVPNC-ZIAGYGMSSA-N 1 2 332.473 3.938 20 30 EHEDLO C=C[C@@H](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000179436641 1127064032 /nfs/dbraw/zinc/06/40/32/1127064032.db2.gz JTNBZHJBUCIKBA-FQEVSTJZSA-N 1 2 345.446 3.908 20 30 EHEDLO C=CCn1c(COc2ccccc2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000764931276 1127554506 /nfs/dbraw/zinc/55/45/06/1127554506.db2.gz RRBGJGMESLNBPC-UHFFFAOYSA-N 1 2 346.500 3.724 20 30 EHEDLO C=CCn1c(COc2ccccc2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000764931276 1127554508 /nfs/dbraw/zinc/55/45/08/1127554508.db2.gz RRBGJGMESLNBPC-UHFFFAOYSA-N 1 2 346.500 3.724 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@H](C)CC2)c1=S ZINC000764945274 1127558531 /nfs/dbraw/zinc/55/85/31/1127558531.db2.gz OANDUBNLHPUMFL-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@H](C)CC2)c1=S ZINC000764945274 1127558534 /nfs/dbraw/zinc/55/85/34/1127558534.db2.gz OANDUBNLHPUMFL-HNNXBMFYSA-N 1 2 343.500 3.742 20 30 EHEDLO Cc1cn2cc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)ccc2[nH+]1 ZINC000265679456 1127971076 /nfs/dbraw/zinc/97/10/76/1127971076.db2.gz BKMFYVYCGNIMAT-UHFFFAOYSA-N 1 2 345.406 3.711 20 30 EHEDLO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212364846 1128030278 /nfs/dbraw/zinc/03/02/78/1128030278.db2.gz VVOIIEIYIHEZOE-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C(F)(F)F ZINC000301639213 1128600234 /nfs/dbraw/zinc/60/02/34/1128600234.db2.gz MNVIWJSITNUCRI-OAHLLOKOSA-N 1 2 333.313 3.630 20 30 EHEDLO CCCC[N@H+](C)c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1 ZINC000301677668 1128601988 /nfs/dbraw/zinc/60/19/88/1128601988.db2.gz TWRLHQZJTQHTDI-UHFFFAOYSA-N 1 2 325.372 3.841 20 30 EHEDLO CCCC[N@@H+](C)c1ccc(Nc2nccc(C#N)c2[N+](=O)[O-])cc1 ZINC000301677668 1128601991 /nfs/dbraw/zinc/60/19/91/1128601991.db2.gz TWRLHQZJTQHTDI-UHFFFAOYSA-N 1 2 325.372 3.841 20 30 EHEDLO N#Cc1cccc(C#N)c1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000302881231 1128653400 /nfs/dbraw/zinc/65/34/00/1128653400.db2.gz IUQUUKJCCWXSGS-UHFFFAOYSA-N 1 2 331.423 3.817 20 30 EHEDLO NC(=[NH+]OCc1cc(Cl)cc2cccnc21)c1ccc(F)cc1 ZINC000914785693 1120986650 /nfs/dbraw/zinc/98/66/50/1120986650.db2.gz CQFNAXUHIOFWFP-UHFFFAOYSA-N 1 2 329.762 3.864 20 30 EHEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153255150 1121520576 /nfs/dbraw/zinc/52/05/76/1121520576.db2.gz XTCIPMKCIUWJLX-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1ccc(F)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000153255150 1121520583 /nfs/dbraw/zinc/52/05/83/1121520583.db2.gz XTCIPMKCIUWJLX-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NCc1cc(C#N)cs1 ZINC000496913395 1122205747 /nfs/dbraw/zinc/20/57/47/1122205747.db2.gz SRUAOHRYMXNSIW-UHFFFAOYSA-N 1 2 344.440 3.652 20 30 EHEDLO C=CC[N@@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000917070992 1122477057 /nfs/dbraw/zinc/47/70/57/1122477057.db2.gz LRIWJFPHEGTOPC-UHFFFAOYSA-N 1 2 336.284 3.664 20 30 EHEDLO C=CC[N@H+](CCS(=O)(=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000917070992 1122477060 /nfs/dbraw/zinc/47/70/60/1122477060.db2.gz LRIWJFPHEGTOPC-UHFFFAOYSA-N 1 2 336.284 3.664 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OCC(C)C)CC2)c1C ZINC000077395272 1123554413 /nfs/dbraw/zinc/55/44/13/1123554413.db2.gz LRKWJAIVDASFEM-UHFFFAOYSA-N 1 2 332.488 3.611 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000619287031 1125329857 /nfs/dbraw/zinc/32/98/57/1125329857.db2.gz PESOQRVLXYIISP-BBRMVZONSA-N 1 2 348.372 3.825 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000619287031 1125329859 /nfs/dbraw/zinc/32/98/59/1125329859.db2.gz PESOQRVLXYIISP-BBRMVZONSA-N 1 2 348.372 3.825 20 30 EHEDLO C=CCc1cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc(OC)c1O ZINC000922520517 1129560205 /nfs/dbraw/zinc/56/02/05/1129560205.db2.gz NLSLMPFJYQSXAG-APWZRJJASA-N 1 2 343.398 3.691 20 30 EHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC000509110913 1129756421 /nfs/dbraw/zinc/75/64/21/1129756421.db2.gz NMULGZGEPSBQNA-UHFFFAOYSA-N 1 2 345.368 3.688 20 30 EHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC000509110913 1129756422 /nfs/dbraw/zinc/75/64/22/1129756422.db2.gz NMULGZGEPSBQNA-UHFFFAOYSA-N 1 2 345.368 3.688 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134281053 1129989442 /nfs/dbraw/zinc/98/94/42/1129989442.db2.gz RFKAFZNVYQVVDB-UHFFFAOYSA-N 1 2 332.806 3.735 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134281053 1129989445 /nfs/dbraw/zinc/98/94/45/1129989445.db2.gz RFKAFZNVYQVVDB-UHFFFAOYSA-N 1 2 332.806 3.735 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnn(-c2ccccc2)c1C ZINC000730148482 1130679048 /nfs/dbraw/zinc/67/90/48/1130679048.db2.gz UVAQWXKGUFPROA-UHFFFAOYSA-N 1 2 341.418 3.987 20 30 EHEDLO O=[N+]([O-])c1ccc(Cl)c(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730147774 1130679442 /nfs/dbraw/zinc/67/94/42/1130679442.db2.gz JTYQMOOUHSGFMI-UHFFFAOYSA-N 1 2 326.743 3.664 20 30 EHEDLO Cc1cccc(N=C2NC(=O)/C(=C/c3c[nH+]c4c(C)cccn34)S2)c1 ZINC000741468395 1131605779 /nfs/dbraw/zinc/60/57/79/1131605779.db2.gz IKUUZPAGBVPGJL-YBEGLDIGSA-N 1 2 348.431 3.843 20 30 EHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172728925 1131826769 /nfs/dbraw/zinc/82/67/69/1131826769.db2.gz PGDCEPBGLUZPIR-LJQANCHMSA-N 1 2 340.467 3.735 20 30 EHEDLO N#Cc1c(F)c(F)cc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1F ZINC001212700014 1131935989 /nfs/dbraw/zinc/93/59/89/1131935989.db2.gz PCWWECGYWXPBLC-UHFFFAOYSA-N 1 2 328.297 3.964 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000743852625 1131987053 /nfs/dbraw/zinc/98/70/53/1131987053.db2.gz SAXUADJBVYTORR-UHFFFAOYSA-N 1 2 334.847 3.777 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000743852625 1131987060 /nfs/dbraw/zinc/98/70/60/1131987060.db2.gz SAXUADJBVYTORR-UHFFFAOYSA-N 1 2 334.847 3.777 20 30 EHEDLO CN(C)c1ccc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)c[nH+]1 ZINC001175341590 1132626766 /nfs/dbraw/zinc/62/67/66/1132626766.db2.gz LLGBFMKPAZLUMX-UHFFFAOYSA-N 1 2 338.802 3.602 20 30 EHEDLO N#CCc1cc2ccccc2nc1NCCc1cn2ccccc2[nH+]1 ZINC001169002493 1132628388 /nfs/dbraw/zinc/62/83/88/1132628388.db2.gz PGKPBJWRMRRLGL-UHFFFAOYSA-N 1 2 327.391 3.603 20 30 EHEDLO N#Cc1c(F)c(F)cc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1F ZINC001175717299 1132743230 /nfs/dbraw/zinc/74/32/30/1132743230.db2.gz RLGOTEBDWHSLLX-UHFFFAOYSA-N 1 2 332.207 3.715 20 30 EHEDLO CCOC(=O)CCc1ccc[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001169748365 1132838158 /nfs/dbraw/zinc/83/81/58/1132838158.db2.gz WLLYLLBKIWJHRR-UHFFFAOYSA-N 1 2 327.428 3.606 20 30 EHEDLO CC[C@@H](CSC)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000773702802 1133094425 /nfs/dbraw/zinc/09/44/25/1133094425.db2.gz RKFXAVFERYWUQA-QWHCGFSZSA-N 1 2 347.509 3.546 20 30 EHEDLO CC[C@@H](CSC)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000773702802 1133094428 /nfs/dbraw/zinc/09/44/28/1133094428.db2.gz RKFXAVFERYWUQA-QWHCGFSZSA-N 1 2 347.509 3.546 20 30 EHEDLO N#C[C@@H](COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000768803083 1133178876 /nfs/dbraw/zinc/17/88/76/1133178876.db2.gz AYZRTHJWIILPBK-SFTDATJTSA-N 1 2 348.446 3.577 20 30 EHEDLO N#C[C@@H](COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000768803083 1133178880 /nfs/dbraw/zinc/17/88/80/1133178880.db2.gz AYZRTHJWIILPBK-SFTDATJTSA-N 1 2 348.446 3.577 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000769329633 1133263533 /nfs/dbraw/zinc/26/35/33/1133263533.db2.gz TYOWQRJJIGWWKA-QGZVFWFLSA-N 1 2 346.434 3.903 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000769329633 1133263539 /nfs/dbraw/zinc/26/35/39/1133263539.db2.gz TYOWQRJJIGWWKA-QGZVFWFLSA-N 1 2 346.434 3.903 20 30 EHEDLO N#CCC[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1CC1 ZINC000769335508 1133264663 /nfs/dbraw/zinc/26/46/63/1133264663.db2.gz KWLCNJSNLKXIQS-UHFFFAOYSA-N 1 2 342.443 3.711 20 30 EHEDLO N#CCC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1CC1 ZINC000769335508 1133264667 /nfs/dbraw/zinc/26/46/67/1133264667.db2.gz KWLCNJSNLKXIQS-UHFFFAOYSA-N 1 2 342.443 3.711 20 30 EHEDLO O=C1c2ccc(Br)cc2C/C1=C\c1cccc2[nH+]ccn21 ZINC000769616519 1133322471 /nfs/dbraw/zinc/32/24/71/1133322471.db2.gz ZPBBZHZHWICQEH-ZRDIBKRKSA-N 1 2 339.192 3.919 20 30 EHEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000771164389 1133513649 /nfs/dbraw/zinc/51/36/49/1133513649.db2.gz SJCOQDFLOYWHJG-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000771164389 1133513654 /nfs/dbraw/zinc/51/36/54/1133513654.db2.gz SJCOQDFLOYWHJG-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO C=C(C)[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(F)c(F)c1 ZINC000774540368 1133725936 /nfs/dbraw/zinc/72/59/36/1133725936.db2.gz NMQDBPIFFMRMKS-QGZVFWFLSA-N 1 2 327.334 3.660 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000785997406 1133789410 /nfs/dbraw/zinc/78/94/10/1133789410.db2.gz NDXJPPQMDQCZHD-LBPRGKRZSA-N 1 2 326.412 3.980 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000785997406 1133789414 /nfs/dbraw/zinc/78/94/14/1133789414.db2.gz NDXJPPQMDQCZHD-LBPRGKRZSA-N 1 2 326.412 3.980 20 30 EHEDLO C#CCC1(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CCCCC1 ZINC000788240868 1134099750 /nfs/dbraw/zinc/09/97/50/1134099750.db2.gz KBNLAJMYQBTMST-KRWDZBQOSA-N 1 2 344.524 3.927 20 30 EHEDLO C#CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CCCCC1 ZINC000788432865 1134120696 /nfs/dbraw/zinc/12/06/96/1134120696.db2.gz FUDPEAMNJIEQPX-UHFFFAOYSA-N 1 2 325.387 3.924 20 30 EHEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2ccc(OC)cc2)o1)c1ccccc1 ZINC000775401154 1134721654 /nfs/dbraw/zinc/72/16/54/1134721654.db2.gz RLBMTOQFWWJANC-SFHVURJKSA-N 1 2 333.391 3.599 20 30 EHEDLO N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc[nH+]c(C3CCC3)c2)c1 ZINC001190942722 1134767044 /nfs/dbraw/zinc/76/70/44/1134767044.db2.gz LUTOXROYEUPMSE-UHFFFAOYSA-N 1 2 347.827 3.675 20 30 EHEDLO CCCCCCCCNC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC001191055555 1134783670 /nfs/dbraw/zinc/78/36/70/1134783670.db2.gz VJHNJLPENCRFJY-UHFFFAOYSA-N 1 2 333.476 3.995 20 30 EHEDLO C#CC[N@@H+](CC1(F)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000792822868 1134795897 /nfs/dbraw/zinc/79/58/97/1134795897.db2.gz NXJVXVUQBDLOAS-AWEZNQCLSA-N 1 2 338.220 3.710 20 30 EHEDLO C#CC[N@H+](CC1(F)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000792822868 1134795901 /nfs/dbraw/zinc/79/59/01/1134795901.db2.gz NXJVXVUQBDLOAS-AWEZNQCLSA-N 1 2 338.220 3.710 20 30 EHEDLO CCCCCCCNC(=O)NCc1c[nH+]cn1Cc1cccc(F)c1 ZINC001191123895 1134797495 /nfs/dbraw/zinc/79/74/95/1134797495.db2.gz YGUZUBLZZNYDMO-UHFFFAOYSA-N 1 2 346.450 3.840 20 30 EHEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001192305182 1135002442 /nfs/dbraw/zinc/00/24/42/1135002442.db2.gz WIDLAUTYSMSCRK-UONOGXRCSA-N 1 2 337.398 3.644 20 30 EHEDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001192305182 1135002445 /nfs/dbraw/zinc/00/24/45/1135002445.db2.gz WIDLAUTYSMSCRK-UONOGXRCSA-N 1 2 337.398 3.644 20 30 EHEDLO N#Cc1c(NCc2ccc(-n3cc[nH+]c3)cc2)nc2cc(Cl)ccn12 ZINC000804381612 1135050932 /nfs/dbraw/zinc/05/09/32/1135050932.db2.gz PIOSDELYHKHHRZ-UHFFFAOYSA-N 1 2 348.797 3.657 20 30 EHEDLO C[C@H]1CCCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000775732891 1135591944 /nfs/dbraw/zinc/59/19/44/1135591944.db2.gz XQBQUNWMWPVLRB-KBPBESRZSA-N 1 2 327.453 3.595 20 30 EHEDLO C[C@H]1CCCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000775732891 1135591947 /nfs/dbraw/zinc/59/19/47/1135591947.db2.gz XQBQUNWMWPVLRB-KBPBESRZSA-N 1 2 327.453 3.595 20 30 EHEDLO Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000807989379 1135599093 /nfs/dbraw/zinc/59/90/93/1135599093.db2.gz HGVKBECMDAVXAR-UHFFFAOYSA-N 1 2 337.383 3.699 20 30 EHEDLO C#C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(C)(C)C ZINC000808482671 1135677496 /nfs/dbraw/zinc/67/74/96/1135677496.db2.gz VRUUFRREXVYLCV-HIFRSBDPSA-N 1 2 348.516 3.544 20 30 EHEDLO C#C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(C)(C)C ZINC000808482671 1135677497 /nfs/dbraw/zinc/67/74/97/1135677497.db2.gz VRUUFRREXVYLCV-HIFRSBDPSA-N 1 2 348.516 3.544 20 30 EHEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001197881344 1135746172 /nfs/dbraw/zinc/74/61/72/1135746172.db2.gz GFUGHUINCICAPR-INIZCTEOSA-N 1 2 349.862 3.701 20 30 EHEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001197881344 1135746173 /nfs/dbraw/zinc/74/61/73/1135746173.db2.gz GFUGHUINCICAPR-INIZCTEOSA-N 1 2 349.862 3.701 20 30 EHEDLO Cc1ccc(C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccccc2)cc1C#N ZINC001197979067 1135762909 /nfs/dbraw/zinc/76/29/09/1135762909.db2.gz POYVXRAJMQUPGO-OAQYLSRUSA-N 1 2 328.419 3.738 20 30 EHEDLO Cc1ccc(C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccccc2)cc1C#N ZINC001197979067 1135762912 /nfs/dbraw/zinc/76/29/12/1135762912.db2.gz POYVXRAJMQUPGO-OAQYLSRUSA-N 1 2 328.419 3.738 20 30 EHEDLO CC[N@H+](Cc1ncc(C2OCCO2)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000809547544 1135855125 /nfs/dbraw/zinc/85/51/25/1135855125.db2.gz RMSOXVNAPUICFC-CYBMUJFWSA-N 1 2 343.452 3.643 20 30 EHEDLO CC[N@@H+](Cc1ncc(C2OCCO2)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000809547544 1135855127 /nfs/dbraw/zinc/85/51/27/1135855127.db2.gz RMSOXVNAPUICFC-CYBMUJFWSA-N 1 2 343.452 3.643 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)cc(F)c1O ZINC000809702808 1135874692 /nfs/dbraw/zinc/87/46/92/1135874692.db2.gz YTFHRWXLCPENOS-UHFFFAOYSA-N 1 2 339.794 3.848 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)cc(F)c1O ZINC000809702808 1135874693 /nfs/dbraw/zinc/87/46/93/1135874693.db2.gz YTFHRWXLCPENOS-UHFFFAOYSA-N 1 2 339.794 3.848 20 30 EHEDLO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccccc1Br)C2 ZINC001203320018 1135897718 /nfs/dbraw/zinc/89/77/18/1135897718.db2.gz GNZBBCYMJZSFOQ-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccccc1Br)C2 ZINC001203320018 1135897721 /nfs/dbraw/zinc/89/77/21/1135897721.db2.gz GNZBBCYMJZSFOQ-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO C=CCCC(C)(C)CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001131970628 1135903885 /nfs/dbraw/zinc/90/38/85/1135903885.db2.gz MWVLIYQMOQFMSO-UHFFFAOYSA-N 1 2 335.398 3.732 20 30 EHEDLO C[C@@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000810605970 1135984144 /nfs/dbraw/zinc/98/41/44/1135984144.db2.gz HCRFLOMYTAIRTL-MRXNPFEDSA-N 1 2 345.402 3.650 20 30 EHEDLO COc1ccc(C#N)cc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001201582202 1136043313 /nfs/dbraw/zinc/04/33/13/1136043313.db2.gz RHYNRLBSMXFDAK-UHFFFAOYSA-N 1 2 343.184 3.721 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000747712575 1136084308 /nfs/dbraw/zinc/08/43/08/1136084308.db2.gz BUOSSYCKBIGQOV-MOSHPQCFSA-N 1 2 339.395 3.515 20 30 EHEDLO CC(=[NH+]OC/C=C\Cl)c1ccc(N2CCOCC2)cc1Cl ZINC000811669959 1136120516 /nfs/dbraw/zinc/12/05/16/1136120516.db2.gz WZZYCWDYLHVYJA-WVWVZDJWSA-N 1 2 329.227 3.670 20 30 EHEDLO Cc1cccc(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001202305564 1136120587 /nfs/dbraw/zinc/12/05/87/1136120587.db2.gz KKCSDBVCEVRDRX-UHFFFAOYSA-N 1 2 326.425 3.560 20 30 EHEDLO Cc1cccc(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001202305564 1136120590 /nfs/dbraw/zinc/12/05/90/1136120590.db2.gz KKCSDBVCEVRDRX-UHFFFAOYSA-N 1 2 326.425 3.560 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329991 1136449294 /nfs/dbraw/zinc/44/92/94/1136449294.db2.gz NCVODRZZGHCXCC-JOCHJYFZSA-N 1 2 344.462 3.940 20 30 EHEDLO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329991 1136449296 /nfs/dbraw/zinc/44/92/96/1136449296.db2.gz NCVODRZZGHCXCC-JOCHJYFZSA-N 1 2 344.462 3.940 20 30 EHEDLO CC(=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1ccc(Cl)c(N)c1 ZINC000814795779 1136505827 /nfs/dbraw/zinc/50/58/27/1136505827.db2.gz GCTZXZYWNGTWHE-UHFFFAOYSA-N 1 2 335.745 3.913 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(NC(=O)CC)c1 ZINC000853184902 1136515424 /nfs/dbraw/zinc/51/54/24/1136515424.db2.gz QTRFUDPIKIQROC-UHFFFAOYSA-N 1 2 337.423 3.834 20 30 EHEDLO C=CC1CC[NH+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)CC1 ZINC000111166405 1136518400 /nfs/dbraw/zinc/51/84/00/1136518400.db2.gz IZLXEQTVQQYYKA-UHFFFAOYSA-N 1 2 347.532 3.595 20 30 EHEDLO CC(=[NH+]Nc1cncc(Br)c1)c1ccc(Cl)c(N)c1 ZINC000814886712 1136520467 /nfs/dbraw/zinc/52/04/67/1136520467.db2.gz HQJCWFQMHNHQGC-UHFFFAOYSA-N 1 2 339.624 3.916 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627586 1136550619 /nfs/dbraw/zinc/55/06/19/1136550619.db2.gz DLVMHDDENSPRHZ-CQSZACIVSA-N 1 2 343.500 3.597 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853627586 1136550621 /nfs/dbraw/zinc/55/06/21/1136550621.db2.gz DLVMHDDENSPRHZ-CQSZACIVSA-N 1 2 343.500 3.597 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)c3ncc(C#N)cc3C)c2)[nH+]c1C ZINC000815098622 1136555566 /nfs/dbraw/zinc/55/55/66/1136555566.db2.gz KNUYUNPSZTWKES-UHFFFAOYSA-N 1 2 331.379 3.521 20 30 EHEDLO C#Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC001135436360 1136684433 /nfs/dbraw/zinc/68/44/33/1136684433.db2.gz FZSSFECLJLNRCO-IBGZPJMESA-N 1 2 338.838 3.924 20 30 EHEDLO C#Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC001135436360 1136684436 /nfs/dbraw/zinc/68/44/36/1136684436.db2.gz FZSSFECLJLNRCO-IBGZPJMESA-N 1 2 338.838 3.924 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(N2CCCC2=O)cc1 ZINC000820619386 1136998527 /nfs/dbraw/zinc/99/85/27/1136998527.db2.gz LNFFRJSXLFXOIJ-UHFFFAOYSA-N 1 2 349.434 3.613 20 30 EHEDLO C#C[C@H](C)[N@H+](C)Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000859279817 1137010430 /nfs/dbraw/zinc/01/04/30/1137010430.db2.gz BFQGGQSCWWTYEO-JTQLQIEISA-N 1 2 326.293 3.953 20 30 EHEDLO C#C[C@H](C)[N@@H+](C)Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000859279817 1137010431 /nfs/dbraw/zinc/01/04/31/1137010431.db2.gz BFQGGQSCWWTYEO-JTQLQIEISA-N 1 2 326.293 3.953 20 30 EHEDLO C=CC[C@@H]([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1)C(=O)OC ZINC001171066926 1137153592 /nfs/dbraw/zinc/15/35/92/1137153592.db2.gz RSZDHYWWHCGHFG-IUODEOHRSA-N 1 2 328.239 3.558 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cc4ccncc4s3)CCO2)c1 ZINC000824948967 1137158897 /nfs/dbraw/zinc/15/88/97/1137158897.db2.gz IPAVDDNLEXDUFT-GOSISDBHSA-N 1 2 335.432 3.741 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cc4ccncc4s3)CCO2)c1 ZINC000824948967 1137158898 /nfs/dbraw/zinc/15/88/98/1137158898.db2.gz IPAVDDNLEXDUFT-GOSISDBHSA-N 1 2 335.432 3.741 20 30 EHEDLO CSCC[C@H]([NH2+][C@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171183719 1137293508 /nfs/dbraw/zinc/29/35/08/1137293508.db2.gz JIVNVEPIXAQJPE-PBHICJAKSA-N 1 2 348.512 3.542 20 30 EHEDLO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000846011423 1137325706 /nfs/dbraw/zinc/32/57/06/1137325706.db2.gz UJCKQFIMDCSHEU-UHFFFAOYSA-N 1 2 336.461 3.664 20 30 EHEDLO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866221907 1137335926 /nfs/dbraw/zinc/33/59/26/1137335926.db2.gz UXZRAHQRDSWMJF-OXQOHEQNSA-N 1 2 335.451 3.752 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866336440 1137346927 /nfs/dbraw/zinc/34/69/27/1137346927.db2.gz FQOJCBKRHQWBKL-IRWQIABSSA-N 1 2 340.398 3.974 20 30 EHEDLO C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866356171 1137348785 /nfs/dbraw/zinc/34/87/85/1137348785.db2.gz JPKSXWZKUXEFSC-PXAZEXFGSA-N 1 2 330.815 3.692 20 30 EHEDLO C[C@H](C#N)c1cccc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001148615539 1137429615 /nfs/dbraw/zinc/42/96/15/1137429615.db2.gz NQISGCPADLFSFS-MRXNPFEDSA-N 1 2 344.418 3.772 20 30 EHEDLO C[C@H](C#N)c1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001148616765 1137429710 /nfs/dbraw/zinc/42/97/10/1137429710.db2.gz AWLOJJCWVQRSIN-OAHLLOKOSA-N 1 2 330.391 3.811 20 30 EHEDLO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C#N)CCCC1)C2 ZINC001172085216 1137532048 /nfs/dbraw/zinc/53/20/48/1137532048.db2.gz LGLDQFHIFXJPBY-MUJYYYPQSA-N 1 2 333.476 3.733 20 30 EHEDLO C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001172313251 1137546388 /nfs/dbraw/zinc/54/63/88/1137546388.db2.gz SPAHRGXMAFALMY-LPHOPBHVSA-N 1 2 347.453 3.685 20 30 EHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172328150 1137550462 /nfs/dbraw/zinc/55/04/62/1137550462.db2.gz OLAMIENVLWTBBT-LNLFQRSKSA-N 1 2 333.472 3.510 20 30 EHEDLO Cc1cccn2c(/C=C3/COc4c(F)cc(F)cc4C3=O)c[nH+]c12 ZINC000125351171 1137631080 /nfs/dbraw/zinc/63/10/80/1137631080.db2.gz AODJFLRMEHAWQJ-WZUFQYTHSA-N 1 2 326.302 3.580 20 30 EHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876617754 1137657252 /nfs/dbraw/zinc/65/72/52/1137657252.db2.gz UPPQYPUWWAAFOH-ZDUSSCGKSA-N 1 2 349.500 3.633 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876617754 1137657253 /nfs/dbraw/zinc/65/72/53/1137657253.db2.gz UPPQYPUWWAAFOH-ZDUSSCGKSA-N 1 2 349.500 3.633 20 30 EHEDLO C=CCNC(=O)Nc1ccc(NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000876836181 1137663242 /nfs/dbraw/zinc/66/32/42/1137663242.db2.gz PHIVKPANTPSXEV-UHFFFAOYSA-N 1 2 340.427 3.627 20 30 EHEDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)c1C ZINC000879118032 1137738508 /nfs/dbraw/zinc/73/85/08/1137738508.db2.gz JNGUFXZNBVLMFW-UHFFFAOYSA-N 1 2 346.862 3.708 20 30 EHEDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)c1C ZINC000879118032 1137738509 /nfs/dbraw/zinc/73/85/09/1137738509.db2.gz JNGUFXZNBVLMFW-UHFFFAOYSA-N 1 2 346.862 3.708 20 30 EHEDLO CC(C)c1noc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000104716044 1137879266 /nfs/dbraw/zinc/87/92/66/1137879266.db2.gz BLUWFLARAVLSKA-CQSZACIVSA-N 1 2 340.427 3.669 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000121216490 1137956046 /nfs/dbraw/zinc/95/60/46/1137956046.db2.gz NNAWIEQSTWMOBH-SCLBCKFNSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000121216490 1137956047 /nfs/dbraw/zinc/95/60/47/1137956047.db2.gz NNAWIEQSTWMOBH-SCLBCKFNSA-N 1 2 328.437 3.590 20 30 EHEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886280918 1138063861 /nfs/dbraw/zinc/06/38/61/1138063861.db2.gz OEOYJIDTDMTWDJ-JLSDUUJJSA-N 1 2 348.874 3.547 20 30 EHEDLO C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886280918 1138063862 /nfs/dbraw/zinc/06/38/62/1138063862.db2.gz OEOYJIDTDMTWDJ-JLSDUUJJSA-N 1 2 348.874 3.547 20 30 EHEDLO C=CCC1(O)CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000886764040 1138135176 /nfs/dbraw/zinc/13/51/76/1138135176.db2.gz JYRDOAOWZZKQRB-UHFFFAOYSA-N 1 2 340.254 3.544 20 30 EHEDLO CC[N@H+](CCC#N)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137256531 1139247854 /nfs/dbraw/zinc/24/78/54/1139247854.db2.gz MBNXULDXNVDEGG-UHFFFAOYSA-N 1 2 344.436 3.711 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137256531 1139247859 /nfs/dbraw/zinc/24/78/59/1139247859.db2.gz MBNXULDXNVDEGG-UHFFFAOYSA-N 1 2 344.436 3.711 20 30 EHEDLO C=C1CCC(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000890298788 1139337517 /nfs/dbraw/zinc/33/75/17/1139337517.db2.gz XTMQYZJEOSZSGP-UHFFFAOYSA-N 1 2 327.472 3.672 20 30 EHEDLO C[C@H]1SCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]1C ZINC000174868168 1139446793 /nfs/dbraw/zinc/44/67/93/1139446793.db2.gz ZVNPRVTUFLWBAE-HUUCEWRRSA-N 1 2 341.480 3.563 20 30 EHEDLO C[C@H]1SCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]1C ZINC000174868168 1139446799 /nfs/dbraw/zinc/44/67/99/1139446799.db2.gz ZVNPRVTUFLWBAE-HUUCEWRRSA-N 1 2 341.480 3.563 20 30 EHEDLO O=C1c2cc(C(F)(F)F)cnc2CC/C1=C/c1c[nH+]c2ccccn12 ZINC000777467691 1140414433 /nfs/dbraw/zinc/41/44/33/1140414433.db2.gz MSIWHDCLSPOADS-XFFZJAGNSA-N 1 2 343.308 3.961 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccco2)C(C)C)c(C#N)c1C ZINC000267424697 1140790441 /nfs/dbraw/zinc/79/04/41/1140790441.db2.gz XIGOQWFVNUNSDH-UHFFFAOYSA-N 1 2 331.441 3.679 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccco2)C(C)C)c(C#N)c1C ZINC000267424697 1140790444 /nfs/dbraw/zinc/79/04/44/1140790444.db2.gz XIGOQWFVNUNSDH-UHFFFAOYSA-N 1 2 331.441 3.679 20 30 EHEDLO Cc1cc(C#N)ccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000269721458 1141138574 /nfs/dbraw/zinc/13/85/74/1141138574.db2.gz QCIDOQUHPFNEKC-INIZCTEOSA-N 1 2 349.434 3.512 20 30 EHEDLO C=CCCO[C@@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270420216 1141221120 /nfs/dbraw/zinc/22/11/20/1141221120.db2.gz FZGYIHGVQNVWSL-HNNXBMFYSA-N 1 2 337.423 3.522 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000348571221 1141553175 /nfs/dbraw/zinc/55/31/75/1141553175.db2.gz BYXUMXZCLPHZNX-OAHLLOKOSA-N 1 2 332.407 3.577 20 30 EHEDLO C=C(C)C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(CO)o1 ZINC000348640907 1141560646 /nfs/dbraw/zinc/56/06/46/1141560646.db2.gz IMSBWDLKXSRBGP-UHFFFAOYSA-N 1 2 337.423 3.740 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(CO)o1 ZINC000348640907 1141560654 /nfs/dbraw/zinc/56/06/54/1141560654.db2.gz IMSBWDLKXSRBGP-UHFFFAOYSA-N 1 2 337.423 3.740 20 30 EHEDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000071948308 215978491 /nfs/dbraw/zinc/97/84/91/215978491.db2.gz HZMZNLNYRMUUNJ-ZDUSSCGKSA-N 1 2 345.368 3.859 20 30 EHEDLO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186901106 1014553772 /nfs/dbraw/zinc/55/37/72/1014553772.db2.gz OWDWZWORKWTTIB-CQSZACIVSA-N 1 2 347.890 3.584 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1nc(CC)c(C)s1)Cc1ccccc1 ZINC000510108133 1015147639 /nfs/dbraw/zinc/14/76/39/1015147639.db2.gz ADGGXINOKYMPGB-UHFFFAOYSA-N 1 2 329.469 3.641 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1nc(CC)c(C)s1)Cc1ccccc1 ZINC000510108133 1015147642 /nfs/dbraw/zinc/14/76/42/1015147642.db2.gz ADGGXINOKYMPGB-UHFFFAOYSA-N 1 2 329.469 3.641 20 30 EHEDLO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)c2nccn2C)cc1 ZINC000181452017 1016690186 /nfs/dbraw/zinc/69/01/86/1016690186.db2.gz DIZXYDZGHRBGOP-FOIQADDNSA-N 1 2 346.434 3.741 20 30 EHEDLO N#Cc1cc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)ccn1 ZINC000613586207 1016779827 /nfs/dbraw/zinc/77/98/27/1016779827.db2.gz VBRJASZDHASDRS-UHFFFAOYSA-N 1 2 325.362 3.911 20 30 EHEDLO CC(C)C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000602097038 1032640207 /nfs/dbraw/zinc/64/02/07/1032640207.db2.gz QKLVIEDHCZQULG-KRWDZBQOSA-N 1 2 328.391 3.556 20 30 EHEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000178307458 1017464902 /nfs/dbraw/zinc/46/49/02/1017464902.db2.gz RIMIMRCLLYZCRP-ZDUSSCGKSA-N 1 2 337.379 3.748 20 30 EHEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000015547057 1018757681 /nfs/dbraw/zinc/75/76/81/1018757681.db2.gz OLGFCNVHHVUCPX-MRXNPFEDSA-N 1 2 325.437 3.568 20 30 EHEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000015547057 1018757696 /nfs/dbraw/zinc/75/76/96/1018757696.db2.gz OLGFCNVHHVUCPX-MRXNPFEDSA-N 1 2 325.437 3.568 20 30 EHEDLO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1F ZINC000594019386 1032790785 /nfs/dbraw/zinc/79/07/85/1032790785.db2.gz JETDUAMOYHWSNA-GOSISDBHSA-N 1 2 326.371 3.725 20 30 EHEDLO Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000280613086 1020525146 /nfs/dbraw/zinc/52/51/46/1020525146.db2.gz QNTKVSMVWZFHTL-UHFFFAOYSA-N 1 2 346.390 3.912 20 30 EHEDLO COCCc1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000602480207 1032909487 /nfs/dbraw/zinc/90/94/87/1032909487.db2.gz AMFFKSVJGBRVMG-ZWKOTPCHSA-N 1 2 341.480 3.604 20 30 EHEDLO COCCc1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000602480207 1032909497 /nfs/dbraw/zinc/90/94/97/1032909497.db2.gz AMFFKSVJGBRVMG-ZWKOTPCHSA-N 1 2 341.480 3.604 20 30 EHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000157801080 1020584483 /nfs/dbraw/zinc/58/44/83/1020584483.db2.gz NBCSKBODNKGJNY-UHFFFAOYSA-N 1 2 346.390 3.744 20 30 EHEDLO Cc1ccc(-c2cnc(CO[NH+]=C(N)c3ccc(F)cc3)o2)cc1 ZINC000760433412 1032949997 /nfs/dbraw/zinc/94/99/97/1032949997.db2.gz PHKJEFIMOGFWAG-UHFFFAOYSA-N 1 2 325.343 3.626 20 30 EHEDLO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000729475475 1021478583 /nfs/dbraw/zinc/47/85/83/1021478583.db2.gz VQHZCBKAFYCDDQ-CXAGYDPISA-N 1 2 341.480 3.983 20 30 EHEDLO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000729475475 1021478591 /nfs/dbraw/zinc/47/85/91/1021478591.db2.gz VQHZCBKAFYCDDQ-CXAGYDPISA-N 1 2 341.480 3.983 20 30 EHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000134624657 1021698124 /nfs/dbraw/zinc/69/81/24/1021698124.db2.gz YOYFQXCRGCWXJV-GUYCJALGSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000134624657 1021698133 /nfs/dbraw/zinc/69/81/33/1021698133.db2.gz YOYFQXCRGCWXJV-GUYCJALGSA-N 1 2 347.434 3.575 20 30 EHEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000506751198 1021922625 /nfs/dbraw/zinc/92/26/25/1021922625.db2.gz HXLZCFQADLRDLY-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000506751198 1021922631 /nfs/dbraw/zinc/92/26/31/1021922631.db2.gz HXLZCFQADLRDLY-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO C=CC[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000426593449 1022004637 /nfs/dbraw/zinc/00/46/37/1022004637.db2.gz OCNMYSLOHDIYEW-IBGZPJMESA-N 1 2 340.492 3.752 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000172936603 1033034915 /nfs/dbraw/zinc/03/49/15/1033034915.db2.gz WDDUXBBVVYLVSR-QAPCUYQASA-N 1 2 342.512 3.992 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c1=S ZINC000172936603 1033034925 /nfs/dbraw/zinc/03/49/25/1033034925.db2.gz WDDUXBBVVYLVSR-QAPCUYQASA-N 1 2 342.512 3.992 20 30 EHEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CCCC3)C2)no1 ZINC000328854145 1022516258 /nfs/dbraw/zinc/51/62/58/1022516258.db2.gz WJVSAFYLMIGUFA-ZIAGYGMSSA-N 1 2 334.464 3.660 20 30 EHEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CCCC3)C2)no1 ZINC000328854145 1022516269 /nfs/dbraw/zinc/51/62/69/1022516269.db2.gz WJVSAFYLMIGUFA-ZIAGYGMSSA-N 1 2 334.464 3.660 20 30 EHEDLO CC1(C)C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccc(F)cc2O1 ZINC000328936234 1022535087 /nfs/dbraw/zinc/53/50/87/1022535087.db2.gz JLTQSLUGHHAHLF-WBMJQRKESA-N 1 2 343.402 3.844 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3CCCCCC3)CC2)cc1 ZINC000426066402 1022815413 /nfs/dbraw/zinc/81/54/13/1022815413.db2.gz JMPSRDZVPQPTJA-UHFFFAOYSA-N 1 2 339.483 3.563 20 30 EHEDLO N#Cc1csc(C[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000507145110 1023147691 /nfs/dbraw/zinc/14/76/91/1023147691.db2.gz QZCYWYXSFLKHHU-UHFFFAOYSA-N 1 2 349.862 3.730 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000507351778 1023261601 /nfs/dbraw/zinc/26/16/01/1023261601.db2.gz GJCQKUNRSJNIMR-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000507351778 1023261606 /nfs/dbraw/zinc/26/16/06/1023261606.db2.gz GJCQKUNRSJNIMR-HXUWFJFHSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CC)Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300464 1033177299 /nfs/dbraw/zinc/17/72/99/1033177299.db2.gz LRVAOBULXHZHAS-UHFFFAOYSA-N 1 2 347.462 3.595 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CC)Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300464 1033177307 /nfs/dbraw/zinc/17/73/07/1033177307.db2.gz LRVAOBULXHZHAS-UHFFFAOYSA-N 1 2 347.462 3.595 20 30 EHEDLO Cc1cn2cc(NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)ccc2[nH+]1 ZINC000329668820 1024023837 /nfs/dbraw/zinc/02/38/37/1024023837.db2.gz RCRQGFZFNCDFCF-AWEZNQCLSA-N 1 2 349.438 3.910 20 30 EHEDLO C[C@H](CC1CCCCC1)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330207827 1024354648 /nfs/dbraw/zinc/35/46/48/1024354648.db2.gz AOQMFKYKBBRNQT-KYJSFNMBSA-N 1 2 348.491 3.503 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000346273786 1024563757 /nfs/dbraw/zinc/56/37/57/1024563757.db2.gz IBSFDYXMAUGALW-ZDUSSCGKSA-N 1 2 345.424 3.672 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000346273786 1024563764 /nfs/dbraw/zinc/56/37/64/1024563764.db2.gz IBSFDYXMAUGALW-ZDUSSCGKSA-N 1 2 345.424 3.672 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C(=O)OCC ZINC000895701654 1024738559 /nfs/dbraw/zinc/73/85/59/1024738559.db2.gz TYYVACJLHDPPSW-ZACQAIPSSA-N 1 2 343.895 3.636 20 30 EHEDLO N#CCSCCC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000342298581 1024754515 /nfs/dbraw/zinc/75/45/15/1024754515.db2.gz UNNDCXAOWIYFBS-UHFFFAOYSA-N 1 2 343.265 3.593 20 30 EHEDLO N#CCSCCC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000342298581 1024754523 /nfs/dbraw/zinc/75/45/23/1024754523.db2.gz UNNDCXAOWIYFBS-UHFFFAOYSA-N 1 2 343.265 3.593 20 30 EHEDLO C[C@@H]1c2cccc(Br)c2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361589439 1024946420 /nfs/dbraw/zinc/94/64/20/1024946420.db2.gz VOJNAUFSFPCFDM-GFCCVEGCSA-N 1 2 344.256 3.779 20 30 EHEDLO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000361589439 1024946426 /nfs/dbraw/zinc/94/64/26/1024946426.db2.gz VOJNAUFSFPCFDM-GFCCVEGCSA-N 1 2 344.256 3.779 20 30 EHEDLO CC1(C)CCCc2cc(C#N)c(N[C@@H]3CCN(c4cccc[nH+]4)C3)nc21 ZINC000428136801 1025003446 /nfs/dbraw/zinc/00/34/46/1025003446.db2.gz LNKFSVDUQWMXLK-QGZVFWFLSA-N 1 2 347.466 3.653 20 30 EHEDLO Cc1cc(Br)c(N2CCC(n3cc[nH+]c3)CC2)c(C#N)c1 ZINC000892159717 1025097691 /nfs/dbraw/zinc/09/76/91/1025097691.db2.gz POSNIGOTPJEVKR-UHFFFAOYSA-N 1 2 345.244 3.667 20 30 EHEDLO N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000435929941 1025224565 /nfs/dbraw/zinc/22/45/65/1025224565.db2.gz UWPNWKDXUHQWQM-QGZVFWFLSA-N 1 2 330.391 3.788 20 30 EHEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)n1 ZINC000346845673 1025234636 /nfs/dbraw/zinc/23/46/36/1025234636.db2.gz ZTXDYTZMYYYJCE-HNNXBMFYSA-N 1 2 340.858 3.798 20 30 EHEDLO C=C1CC[NH+](Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)CC1 ZINC000521253149 1025301281 /nfs/dbraw/zinc/30/12/81/1025301281.db2.gz YFXIPBQMRYWDGC-UHFFFAOYSA-N 1 2 336.395 3.852 20 30 EHEDLO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(N2CCCC2=O)c1 ZINC000428325028 1025335291 /nfs/dbraw/zinc/33/52/91/1025335291.db2.gz MAKDSPPVBJSAAK-AWEZNQCLSA-N 1 2 337.398 3.675 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CC[C@H](c2nc(CC)no2)C1 ZINC000896352928 1025377369 /nfs/dbraw/zinc/37/73/69/1025377369.db2.gz ZGQZKTNTSBQPJP-LSDHHAIUSA-N 1 2 340.427 3.567 20 30 EHEDLO N#C[C@@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc(-c2ccccc2)cs1 ZINC000342443216 1025520804 /nfs/dbraw/zinc/52/08/04/1025520804.db2.gz CJNKFPPZQGCOPV-INIZCTEOSA-N 1 2 344.399 3.948 20 30 EHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000436261024 1025521864 /nfs/dbraw/zinc/52/18/64/1025521864.db2.gz OCWHFRIEZSELNG-UHFFFAOYSA-N 1 2 348.450 3.556 20 30 EHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC=C(C)C2)c1C#N ZINC000436261024 1025521868 /nfs/dbraw/zinc/52/18/68/1025521868.db2.gz OCWHFRIEZSELNG-UHFFFAOYSA-N 1 2 348.450 3.556 20 30 EHEDLO C[C@H](C#N)N(CCCn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC000425533855 1025658883 /nfs/dbraw/zinc/65/88/83/1025658883.db2.gz LNCGWTOPLOWENG-CQSZACIVSA-N 1 2 336.361 3.706 20 30 EHEDLO Cc1cc([NH+]2CCCCCC2)ccc1NC([O-])=[NH+][C@@H]1C[C@@H](O)C1(C)C ZINC000329444435 1025857010 /nfs/dbraw/zinc/85/70/10/1025857010.db2.gz NNTIZFMXCBWJCI-QZTJIDSGSA-N 1 2 345.487 3.861 20 30 EHEDLO Cc1c(C#N)cccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000178570917 1026004903 /nfs/dbraw/zinc/00/49/03/1026004903.db2.gz CVNKPCUIUIFXNX-UHFFFAOYSA-N 1 2 349.438 3.574 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccncc1F ZINC000338358759 1026017694 /nfs/dbraw/zinc/01/76/94/1026017694.db2.gz TZZHLODKDPEBPH-JTQLQIEISA-N 1 2 334.192 3.706 20 30 EHEDLO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc(-c2cccc(F)c2)no1 ZINC000237445487 1026379617 /nfs/dbraw/zinc/37/96/17/1026379617.db2.gz BJJFSPWVXFUDSC-SNVBAGLBSA-N 1 2 328.372 3.660 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccn1)Cc1ccccc1C ZINC000582608982 1026735870 /nfs/dbraw/zinc/73/58/70/1026735870.db2.gz LYHZBCWWFJGZEM-UHFFFAOYSA-N 1 2 349.478 3.593 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000582608982 1026735881 /nfs/dbraw/zinc/73/58/81/1026735881.db2.gz LYHZBCWWFJGZEM-UHFFFAOYSA-N 1 2 349.478 3.593 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)OC)cc1F ZINC000548750030 1026926103 /nfs/dbraw/zinc/92/61/03/1026926103.db2.gz AHHYPVIZDKUJSA-UHFFFAOYSA-N 1 2 338.382 3.672 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(=O)OC)cc1F ZINC000548750030 1026926110 /nfs/dbraw/zinc/92/61/10/1026926110.db2.gz AHHYPVIZDKUJSA-UHFFFAOYSA-N 1 2 338.382 3.672 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000352904946 1027398029 /nfs/dbraw/zinc/39/80/29/1027398029.db2.gz WDNSWEBQPLODTD-SFHVURJKSA-N 1 2 346.519 3.633 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000352904946 1027398051 /nfs/dbraw/zinc/39/80/51/1027398051.db2.gz WDNSWEBQPLODTD-SFHVURJKSA-N 1 2 346.519 3.633 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420854890 1027801504 /nfs/dbraw/zinc/80/15/04/1027801504.db2.gz VLKCJLGDEONYJK-UHFFFAOYSA-N 1 2 336.439 3.692 20 30 EHEDLO COc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(OC2CCCC2)c1 ZINC000582880128 1028121597 /nfs/dbraw/zinc/12/15/97/1028121597.db2.gz JWLWWVFGBHWVGP-HNNXBMFYSA-N 1 2 327.428 3.550 20 30 EHEDLO N#Cc1ccccc1CNc1c(Br)c[nH+]c2ccccc21 ZINC001167634525 1028156631 /nfs/dbraw/zinc/15/66/31/1028156631.db2.gz DAIHLOFOGSWAQA-UHFFFAOYSA-N 1 2 338.208 3.903 20 30 EHEDLO C=C(CC)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455523570 1028296323 /nfs/dbraw/zinc/29/63/23/1028296323.db2.gz ONRYFIHDJFMFDM-SFHVURJKSA-N 1 2 326.444 3.507 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000067129236 1028357329 /nfs/dbraw/zinc/35/73/29/1028357329.db2.gz IRZMXKKNNLFEOP-INIZCTEOSA-N 1 2 343.496 3.858 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000067129236 1028357341 /nfs/dbraw/zinc/35/73/41/1028357341.db2.gz IRZMXKKNNLFEOP-INIZCTEOSA-N 1 2 343.496 3.858 20 30 EHEDLO CC[C@H]([NH2+]C[C@@H]1OCCc2sccc21)c1cccc(C#N)c1O ZINC000925162745 1028457680 /nfs/dbraw/zinc/45/76/80/1028457680.db2.gz VQKPWEJFGHUHCJ-HOTGVXAUSA-N 1 2 328.437 3.680 20 30 EHEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N)c(C(C)C)cc1Cl ZINC000247732534 1028811229 /nfs/dbraw/zinc/81/12/29/1028811229.db2.gz VHHJSFLTWUREQH-CABCVRRESA-N 1 2 338.879 3.746 20 30 EHEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)[C@H](C)CC#N)c(C(C)C)cc1Cl ZINC000247732534 1028811248 /nfs/dbraw/zinc/81/12/48/1028811248.db2.gz VHHJSFLTWUREQH-CABCVRRESA-N 1 2 338.879 3.746 20 30 EHEDLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCc1cccc(C#N)c1 ZINC000161853897 1029298186 /nfs/dbraw/zinc/29/81/86/1029298186.db2.gz AXUCETIJDUBTKI-INIZCTEOSA-N 1 2 349.434 3.880 20 30 EHEDLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCc1cccc(C#N)c1 ZINC000161853897 1029298207 /nfs/dbraw/zinc/29/82/07/1029298207.db2.gz AXUCETIJDUBTKI-INIZCTEOSA-N 1 2 349.434 3.880 20 30 EHEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1cc2ccccc2o1 ZINC000272560092 1029512627 /nfs/dbraw/zinc/51/26/27/1029512627.db2.gz LPIKNXBDAAFKAN-CABCVRRESA-N 1 2 339.439 3.624 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1Cl ZINC000272297605 1029808624 /nfs/dbraw/zinc/80/86/24/1029808624.db2.gz PEDMPUKAVDVRAY-UHFFFAOYSA-N 1 2 332.831 3.911 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1Cl ZINC000272297605 1029808628 /nfs/dbraw/zinc/80/86/28/1029808628.db2.gz PEDMPUKAVDVRAY-UHFFFAOYSA-N 1 2 332.831 3.911 20 30 EHEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329200294 1029994697 /nfs/dbraw/zinc/99/46/97/1029994697.db2.gz VFFUSKBLGFVMQQ-YESZJQIVSA-N 1 2 330.476 3.793 20 30 EHEDLO CC(C)[N@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(C#N)cc1 ZINC000160870490 1031115713 /nfs/dbraw/zinc/11/57/13/1031115713.db2.gz ZLVPPWMUAPQQQW-UHFFFAOYSA-N 1 2 345.450 3.764 20 30 EHEDLO CC(C)[N@@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(C#N)cc1 ZINC000160870490 1031115722 /nfs/dbraw/zinc/11/57/22/1031115722.db2.gz ZLVPPWMUAPQQQW-UHFFFAOYSA-N 1 2 345.450 3.764 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000483439504 1031171312 /nfs/dbraw/zinc/17/13/12/1031171312.db2.gz LBAWLOUHRKOYET-NRFANRHFSA-N 1 2 339.435 3.531 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c1 ZINC000483439504 1031171331 /nfs/dbraw/zinc/17/13/31/1031171331.db2.gz LBAWLOUHRKOYET-NRFANRHFSA-N 1 2 339.435 3.531 20 30 EHEDLO Cc1c(Cl)cnc(N2CCC(CCCn3cc[nH+]c3)CC2)c1C#N ZINC000343616529 1031648489 /nfs/dbraw/zinc/64/84/89/1031648489.db2.gz RYUWHUZBCVGZIY-UHFFFAOYSA-N 1 2 343.862 3.808 20 30 EHEDLO CC(C)(C#N)c1ccc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000594498196 1033399221 /nfs/dbraw/zinc/39/92/21/1033399221.db2.gz ODPJMDQELLXTLM-UHFFFAOYSA-N 1 2 349.413 3.702 20 30 EHEDLO N#CC1(CC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CCCCC1 ZINC000598734528 1033424819 /nfs/dbraw/zinc/42/48/19/1033424819.db2.gz BGCJUIIOBLLURY-QAQDUYKDSA-N 1 2 340.471 3.785 20 30 EHEDLO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](CC#N)C3)cs2)c1 ZINC000595609963 1033919815 /nfs/dbraw/zinc/91/98/15/1033919815.db2.gz QYGCZUDHUNMPEP-CQSZACIVSA-N 1 2 327.453 3.944 20 30 EHEDLO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](CC#N)C3)cs2)c1 ZINC000595609963 1033919827 /nfs/dbraw/zinc/91/98/27/1033919827.db2.gz QYGCZUDHUNMPEP-CQSZACIVSA-N 1 2 327.453 3.944 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614915 1033926644 /nfs/dbraw/zinc/92/66/44/1033926644.db2.gz JPNISZNUXHEJDP-KBPBESRZSA-N 1 2 349.862 3.610 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614915 1033926661 /nfs/dbraw/zinc/92/66/61/1033926661.db2.gz JPNISZNUXHEJDP-KBPBESRZSA-N 1 2 349.862 3.610 20 30 EHEDLO Cc1c(N[C@H]2CC[C@@H](CC#N)C2)nc[nH+]c1N[C@H]1CC[C@@H](CC#N)C1 ZINC000596251203 1034135805 /nfs/dbraw/zinc/13/58/05/1034135805.db2.gz RYAVXMCNJMIDSJ-QAETUUGQSA-N 1 2 338.459 3.774 20 30 EHEDLO N#Cc1ccccc1N(Cc1ccccc1)C(=O)CCCn1cc[nH+]c1 ZINC000604528763 1034413649 /nfs/dbraw/zinc/41/36/49/1034413649.db2.gz XNOQGIFMOLSCEA-UHFFFAOYSA-N 1 2 344.418 3.768 20 30 EHEDLO Cc1ccc2cc(C[NH+]3CCN(c4ccsc4C#N)CC3)[nH]c2c1 ZINC000597184443 1034589357 /nfs/dbraw/zinc/58/93/57/1034589357.db2.gz WXSIHXBJFJIXBP-UHFFFAOYSA-N 1 2 336.464 3.732 20 30 EHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597514072 1034791191 /nfs/dbraw/zinc/79/11/91/1034791191.db2.gz LWRQSDHUUOJLEM-MRXNPFEDSA-N 1 2 345.512 3.817 20 30 EHEDLO Cc1cccn2cc(Cc3noc(/C=C\c4ccccc4C#N)n3)[nH+]c12 ZINC000612918788 1035295686 /nfs/dbraw/zinc/29/56/86/1035295686.db2.gz OIKSQZAPMAQFTF-HJWRWDBZSA-N 1 2 341.374 3.659 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045008018 1035633064 /nfs/dbraw/zinc/63/30/64/1035633064.db2.gz OKGJZFAQGCMQIY-AEFFLSMTSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000045008018 1035633076 /nfs/dbraw/zinc/63/30/76/1035633076.db2.gz OKGJZFAQGCMQIY-AEFFLSMTSA-N 1 2 333.863 3.531 20 30 EHEDLO C=CCC[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186708201 1035695617 /nfs/dbraw/zinc/69/56/17/1035695617.db2.gz KMOBBCAZNRCNKC-FQEVSTJZSA-N 1 2 349.478 3.917 20 30 EHEDLO C=CC[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccccc1 ZINC000588670162 1035932063 /nfs/dbraw/zinc/93/20/63/1035932063.db2.gz DKAJHMKIOUMMKD-UHFFFAOYSA-N 1 2 349.390 3.654 20 30 EHEDLO C=CC[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccccc1 ZINC000588670162 1035932077 /nfs/dbraw/zinc/93/20/77/1035932077.db2.gz DKAJHMKIOUMMKD-UHFFFAOYSA-N 1 2 349.390 3.654 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(C#N)c1 ZINC000063300785 1036042677 /nfs/dbraw/zinc/04/26/77/1036042677.db2.gz HIAWMECHEXWPIT-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(C#N)c1 ZINC000063300785 1036042695 /nfs/dbraw/zinc/04/26/95/1036042695.db2.gz HIAWMECHEXWPIT-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](Cc2cccc(F)c2)C2CC2)c1C#N ZINC000535218422 1036205039 /nfs/dbraw/zinc/20/50/39/1036205039.db2.gz FASIYIKACBVLEE-UHFFFAOYSA-N 1 2 338.382 3.649 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c1C#N ZINC000535218422 1036205056 /nfs/dbraw/zinc/20/50/56/1036205056.db2.gz FASIYIKACBVLEE-UHFFFAOYSA-N 1 2 338.382 3.649 20 30 EHEDLO Cc1c(C(=O)/C=C/c2cccc3[nH+]ccn32)cnn1-c1ccc(F)cc1 ZINC000180313006 1036635348 /nfs/dbraw/zinc/63/53/48/1036635348.db2.gz FRAYQEFXGVNHCQ-MDZDMXLPSA-N 1 2 346.365 3.864 20 30 EHEDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccn1 ZINC000089797260 1036664263 /nfs/dbraw/zinc/66/42/63/1036664263.db2.gz JCBVNAGJIRXEHE-NRFANRHFSA-N 1 2 329.403 3.841 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000347367589 1036844526 /nfs/dbraw/zinc/84/45/26/1036844526.db2.gz JBBXOEQJXAVTOW-UHFFFAOYSA-N 1 2 331.847 3.569 20 30 EHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000052210333 1037123667 /nfs/dbraw/zinc/12/36/67/1037123667.db2.gz UWVUOMQZHZWEKY-QGZVFWFLSA-N 1 2 345.874 3.820 20 30 EHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000052210333 1037123679 /nfs/dbraw/zinc/12/36/79/1037123679.db2.gz UWVUOMQZHZWEKY-QGZVFWFLSA-N 1 2 345.874 3.820 20 30 EHEDLO N#Cc1csc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000177005674 1037320229 /nfs/dbraw/zinc/32/02/29/1037320229.db2.gz AAMVSDGHKPCTBY-UHFFFAOYSA-N 1 2 328.784 3.711 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000532486145 1037523580 /nfs/dbraw/zinc/52/35/80/1037523580.db2.gz KZTKRRRZMKTZNO-UHFFFAOYSA-N 1 2 349.434 3.584 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000532486145 1037523588 /nfs/dbraw/zinc/52/35/88/1037523588.db2.gz KZTKRRRZMKTZNO-UHFFFAOYSA-N 1 2 349.434 3.584 20 30 EHEDLO C=C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000532554060 1037618918 /nfs/dbraw/zinc/61/89/18/1037618918.db2.gz ZKXUHFMRKSOFRR-UHFFFAOYSA-N 1 2 332.753 3.949 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)nc3ccccc23)n1 ZINC000491713380 1037635993 /nfs/dbraw/zinc/63/59/93/1037635993.db2.gz JSQOAUWMGXHIFU-UHFFFAOYSA-N 1 2 338.842 3.740 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Cl)nc3ccccc23)n1 ZINC000491713380 1037636002 /nfs/dbraw/zinc/63/60/02/1037636002.db2.gz JSQOAUWMGXHIFU-UHFFFAOYSA-N 1 2 338.842 3.740 20 30 EHEDLO N#Cc1cnccc1C[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000592127223 1037835687 /nfs/dbraw/zinc/83/56/87/1037835687.db2.gz WTGJWSJCKPQZFM-HNNXBMFYSA-N 1 2 342.240 3.705 20 30 EHEDLO N#Cc1cnccc1C[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000592127223 1037835711 /nfs/dbraw/zinc/83/57/11/1037835711.db2.gz WTGJWSJCKPQZFM-HNNXBMFYSA-N 1 2 342.240 3.705 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592144312 1037862403 /nfs/dbraw/zinc/86/24/03/1037862403.db2.gz COBGURZBAPOGFZ-UHFFFAOYSA-N 1 2 325.343 3.775 20 30 EHEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000592157355 1037897459 /nfs/dbraw/zinc/89/74/59/1037897459.db2.gz VDKGMKLRXFVCBY-UHFFFAOYSA-N 1 2 332.419 3.641 20 30 EHEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000538728430 1038495848 /nfs/dbraw/zinc/49/58/48/1038495848.db2.gz VBMPEYQNELYJRJ-MSOLQXFVSA-N 1 2 338.407 3.728 20 30 EHEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)o1 ZINC000538728430 1038495853 /nfs/dbraw/zinc/49/58/53/1038495853.db2.gz VBMPEYQNELYJRJ-MSOLQXFVSA-N 1 2 338.407 3.728 20 30 EHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccsc3C#N)n2)C1 ZINC000906376274 1039497836 /nfs/dbraw/zinc/49/78/36/1039497836.db2.gz UZGQIFRYMCHLBG-NSHDSACASA-N 1 2 346.481 3.560 20 30 EHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccsc3C#N)n2)C1 ZINC000906376274 1039497853 /nfs/dbraw/zinc/49/78/53/1039497853.db2.gz UZGQIFRYMCHLBG-NSHDSACASA-N 1 2 346.481 3.560 20 30 EHEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000417356094 1039717248 /nfs/dbraw/zinc/71/72/48/1039717248.db2.gz BLDZHVWABCKVPD-ABAIWWIYSA-N 1 2 341.436 3.530 20 30 EHEDLO CC[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1cccc(C#N)c1O ZINC000925629370 1040332976 /nfs/dbraw/zinc/33/29/76/1040332976.db2.gz JXNMKXAZCHQSFE-VUSMEJPJSA-N 1 2 342.464 3.803 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCC1 ZINC000418143779 1040643547 /nfs/dbraw/zinc/64/35/47/1040643547.db2.gz QZXQYKGGGWCIAG-MRXNPFEDSA-N 1 2 334.847 3.681 20 30 EHEDLO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000500192862 1040694905 /nfs/dbraw/zinc/69/49/05/1040694905.db2.gz YWJCZGWVJAWRMN-IBGZPJMESA-N 1 2 339.464 3.612 20 30 EHEDLO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000500192862 1040694914 /nfs/dbraw/zinc/69/49/14/1040694914.db2.gz YWJCZGWVJAWRMN-IBGZPJMESA-N 1 2 339.464 3.612 20 30 EHEDLO COc1ccc(OC)c(C[N@H+](Cc2ccc(C#N)cc2F)C2CC2)c1 ZINC000027605178 1040718708 /nfs/dbraw/zinc/71/87/08/1040718708.db2.gz ABSLRQGTCDHFLY-UHFFFAOYSA-N 1 2 340.398 3.879 20 30 EHEDLO COc1ccc(OC)c(C[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)c1 ZINC000027605178 1040718718 /nfs/dbraw/zinc/71/87/18/1040718718.db2.gz ABSLRQGTCDHFLY-UHFFFAOYSA-N 1 2 340.398 3.879 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1Cl)OCCO2 ZINC000343957141 1042946342 /nfs/dbraw/zinc/94/63/42/1042946342.db2.gz ICKXDHIBKYTSQU-UHFFFAOYSA-N 1 2 328.799 3.615 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1Cl)OCCO2 ZINC000343957141 1042946346 /nfs/dbraw/zinc/94/63/46/1042946346.db2.gz ICKXDHIBKYTSQU-UHFFFAOYSA-N 1 2 328.799 3.615 20 30 EHEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000609486895 1042983748 /nfs/dbraw/zinc/98/37/48/1042983748.db2.gz UASXNZIXFWTHLO-GOSISDBHSA-N 1 2 342.874 3.554 20 30 EHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C2CC2)cs1 ZINC000344072444 1043202656 /nfs/dbraw/zinc/20/26/56/1043202656.db2.gz OTJGGKFXQDHNLE-UHFFFAOYSA-N 1 2 327.453 3.541 20 30 EHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C2CC2)cs1 ZINC000344072444 1043202662 /nfs/dbraw/zinc/20/26/62/1043202662.db2.gz OTJGGKFXQDHNLE-UHFFFAOYSA-N 1 2 327.453 3.541 20 30 EHEDLO N#C[C@H]1CC[C@H](Nc2c(Br)c[nH+]c3ccccc32)CC1 ZINC001167844389 1043212183 /nfs/dbraw/zinc/21/21/83/1043212183.db2.gz FBWVDSJCRVHRIE-HAQNSBGRSA-N 1 2 330.229 3.913 20 30 EHEDLO C=C1CC=C(F)C=C1[NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001167857307 1043733382 /nfs/dbraw/zinc/73/33/82/1043733382.db2.gz PGKBAINXTQRDOD-UHFFFAOYSA-N 1 2 342.414 3.587 20 30 EHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187182356 1043900331 /nfs/dbraw/zinc/90/03/31/1043900331.db2.gz UOSSCKQOPDHORV-UHFFFAOYSA-N 1 2 328.435 3.832 20 30 EHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187182356 1043900336 /nfs/dbraw/zinc/90/03/36/1043900336.db2.gz UOSSCKQOPDHORV-UHFFFAOYSA-N 1 2 328.435 3.832 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC)s1)Cc1cccc(C#N)c1 ZINC000163182534 1125559838 /nfs/dbraw/zinc/55/98/38/1125559838.db2.gz BPEVMPLWOMQLFS-UHFFFAOYSA-N 1 2 326.421 3.595 20 30 EHEDLO C=CC[N@H+](Cc1ccc(C(=O)OC)s1)Cc1cccc(C#N)c1 ZINC000163182534 1125559843 /nfs/dbraw/zinc/55/98/43/1125559843.db2.gz BPEVMPLWOMQLFS-UHFFFAOYSA-N 1 2 326.421 3.595 20 30 EHEDLO N#CCCCOc1cccc(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000163238148 1125764417 /nfs/dbraw/zinc/76/44/17/1125764417.db2.gz PYBHKTYDNXLLLM-UHFFFAOYSA-N 1 2 336.439 3.976 20 30 EHEDLO N#C[C@H](C(=O)c1ccc2c[nH+]cn2c1)c1nc2cc(F)ccc2s1 ZINC000671278879 1126828499 /nfs/dbraw/zinc/82/84/99/1126828499.db2.gz IIWFHLOSVQRHOX-CYBMUJFWSA-N 1 2 336.351 3.573 20 30 EHEDLO N#CC(C(=O)c1ccc2c[nH+]cn2c1)c1nc2cc(F)ccc2s1 ZINC000671278879 1126828505 /nfs/dbraw/zinc/82/85/05/1126828505.db2.gz IIWFHLOSVQRHOX-CYBMUJFWSA-N 1 2 336.351 3.573 20 30 EHEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2o1 ZINC000193276390 1127435253 /nfs/dbraw/zinc/43/52/53/1127435253.db2.gz LBYUIWRNPMQOAX-HNNXBMFYSA-N 1 2 328.331 3.504 20 30 EHEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1)C1CC1 ZINC000338556881 1127806911 /nfs/dbraw/zinc/80/69/11/1127806911.db2.gz KOMHTGGBSZCRAG-QGZVFWFLSA-N 1 2 339.464 3.926 20 30 EHEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1)C1CC1 ZINC000338556881 1127806915 /nfs/dbraw/zinc/80/69/15/1127806915.db2.gz KOMHTGGBSZCRAG-QGZVFWFLSA-N 1 2 339.464 3.926 20 30 EHEDLO C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921653795 1128435858 /nfs/dbraw/zinc/43/58/58/1128435858.db2.gz HJYPXHSZGQGJBL-SJORKVTESA-N 1 2 325.412 3.613 20 30 EHEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1C#N ZINC000282281245 1128487539 /nfs/dbraw/zinc/48/75/39/1128487539.db2.gz LBEAULWAPBYTLJ-FZKQIMNGSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1C#N ZINC000282281245 1128487542 /nfs/dbraw/zinc/48/75/42/1128487542.db2.gz LBEAULWAPBYTLJ-FZKQIMNGSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1C#N ZINC000282281241 1128488371 /nfs/dbraw/zinc/48/83/71/1128488371.db2.gz LBEAULWAPBYTLJ-ACJLOTCBSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1C#N ZINC000282281241 1128488372 /nfs/dbraw/zinc/48/83/72/1128488372.db2.gz LBEAULWAPBYTLJ-ACJLOTCBSA-N 1 2 328.437 3.590 20 30 EHEDLO C[NH+](C)[C@H](CNc1c(F)cc(C#N)cc1F)c1c(F)cccc1F ZINC000301309818 1128583493 /nfs/dbraw/zinc/58/34/93/1128583493.db2.gz YETJZQAGODAFHO-OAHLLOKOSA-N 1 2 337.320 3.829 20 30 EHEDLO N#Cc1cnc2ccccc2c1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000301518939 1128594383 /nfs/dbraw/zinc/59/43/83/1128594383.db2.gz DSXFLSQEWNRBEF-UHFFFAOYSA-N 1 2 339.402 3.963 20 30 EHEDLO CC[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302131213 1128621880 /nfs/dbraw/zinc/62/18/80/1128621880.db2.gz BYXIZFKBLFUQAH-DOTOQJQBSA-N 1 2 346.356 3.618 20 30 EHEDLO CC[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302131213 1128621882 /nfs/dbraw/zinc/62/18/82/1128621882.db2.gz BYXIZFKBLFUQAH-DOTOQJQBSA-N 1 2 346.356 3.618 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1F ZINC000404094990 1128676776 /nfs/dbraw/zinc/67/67/76/1128676776.db2.gz VRXCSPSGSMYJSQ-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2C)c(C#N)c1C ZINC000487971394 1121394854 /nfs/dbraw/zinc/39/48/54/1121394854.db2.gz NDJZOSMZZVJPAZ-UHFFFAOYSA-N 1 2 345.443 3.755 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2C)c(C#N)c1C ZINC000487971394 1121394863 /nfs/dbraw/zinc/39/48/63/1121394863.db2.gz NDJZOSMZZVJPAZ-UHFFFAOYSA-N 1 2 345.443 3.755 20 30 EHEDLO C(=NNCc1ccccc1)c1ccc(C=[NH+]NCc2ccccc2)cc1 ZINC000916344360 1122132148 /nfs/dbraw/zinc/13/21/48/1122132148.db2.gz SPBYIKLBFFIFBK-UHFFFAOYSA-N 1 2 342.446 3.934 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000237704493 1123816100 /nfs/dbraw/zinc/81/61/00/1123816100.db2.gz OARDIKMQCDDJKT-STQMWFEESA-N 1 2 328.416 3.509 20 30 EHEDLO Cc1cccn2cc(CCNc3nc(C(F)(F)F)ccc3C#N)[nH+]c12 ZINC000080675808 1124986658 /nfs/dbraw/zinc/98/66/58/1124986658.db2.gz HSSFOPYNYFVUMK-UHFFFAOYSA-N 1 2 345.328 3.583 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000619287036 1125329820 /nfs/dbraw/zinc/32/98/20/1125329820.db2.gz PESOQRVLXYIISP-CZUORRHYSA-N 1 2 348.372 3.825 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000619287036 1125329822 /nfs/dbraw/zinc/32/98/22/1125329822.db2.gz PESOQRVLXYIISP-CZUORRHYSA-N 1 2 348.372 3.825 20 30 EHEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000543245014 1129367282 /nfs/dbraw/zinc/36/72/82/1129367282.db2.gz AQBVPLXVUOHAGO-SFHVURJKSA-N 1 2 349.261 3.975 20 30 EHEDLO CC(C)(C)c1coc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000922254581 1129406408 /nfs/dbraw/zinc/40/64/08/1129406408.db2.gz QHUMJFHVBSWEDJ-UHFFFAOYSA-N 1 2 339.439 3.639 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)o1 ZINC000093440765 1129588291 /nfs/dbraw/zinc/58/82/91/1129588291.db2.gz BRERZAWDIIGYBQ-UHFFFAOYSA-N 1 2 348.324 3.663 20 30 EHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000074046460 1129945423 /nfs/dbraw/zinc/94/54/23/1129945423.db2.gz KGJUIHGTACPFCD-HNNXBMFYSA-N 1 2 330.391 3.543 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C#N)ccc2C)c1C ZINC000058647569 1129953325 /nfs/dbraw/zinc/95/33/25/1129953325.db2.gz CWQFBODOZBSFQY-UHFFFAOYSA-N 1 2 338.411 3.551 20 30 EHEDLO FC(F)(F)c1ccc(C#CC[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000674249320 1130037167 /nfs/dbraw/zinc/03/71/67/1130037167.db2.gz OLHOKJMNAFXSBO-UHFFFAOYSA-N 1 2 331.337 3.952 20 30 EHEDLO FC(F)(F)c1ccc(C#CC[N@H+]2CCOc3ccccc3C2)cc1 ZINC000674249320 1130037174 /nfs/dbraw/zinc/03/71/74/1130037174.db2.gz OLHOKJMNAFXSBO-UHFFFAOYSA-N 1 2 331.337 3.952 20 30 EHEDLO C=C1CCC(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC001129202320 1130555680 /nfs/dbraw/zinc/55/56/80/1130555680.db2.gz WCUFJAQZXFAAPB-UHFFFAOYSA-N 1 2 329.831 3.888 20 30 EHEDLO COc1cccc(C=NNc2cc[nH+]c3ccccc23)c1OC(F)F ZINC000730146530 1130678303 /nfs/dbraw/zinc/67/83/03/1130678303.db2.gz AGKOKTOXCWQXGM-UHFFFAOYSA-N 1 2 343.333 3.713 20 30 EHEDLO CC[NH+](CC)Cc1ccc(C/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000730546108 1130718951 /nfs/dbraw/zinc/71/89/51/1130718951.db2.gz AREUKNJGWLLJHL-MOSHPQCFSA-N 1 2 341.411 3.761 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@H](CC/[NH+]=C/c2ccccc2O)C1 ZINC000730952233 1130753399 /nfs/dbraw/zinc/75/33/99/1130753399.db2.gz UHONZYWKVFIGEB-OOWUWCJESA-N 1 2 332.444 3.848 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 ZINC000732144038 1130889916 /nfs/dbraw/zinc/88/99/16/1130889916.db2.gz KZKUYFRLMDYNGU-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 ZINC000732144038 1130889921 /nfs/dbraw/zinc/88/99/21/1130889921.db2.gz KZKUYFRLMDYNGU-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO FC(F)(F)c1cccc(N=NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000739422466 1131501141 /nfs/dbraw/zinc/50/11/41/1131501141.db2.gz VHRVSSNVKBMZOH-UHFFFAOYSA-N 1 2 335.333 3.564 20 30 EHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(-n4cccn4)cc3)c[nH+]c12 ZINC000741467061 1131606071 /nfs/dbraw/zinc/60/60/71/1131606071.db2.gz DYTCGHVJCSKLOS-KTKRTIGZSA-N 1 2 328.375 3.725 20 30 EHEDLO CC(=O)Nc1cccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000737443221 1131633381 /nfs/dbraw/zinc/63/33/81/1131633381.db2.gz ISBKJDPALWULNX-SREVYHEPSA-N 1 2 339.782 3.842 20 30 EHEDLO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000741793828 1131649737 /nfs/dbraw/zinc/64/97/37/1131649737.db2.gz ACZVWPADXAPYII-QLFBSQMISA-N 1 2 341.480 3.983 20 30 EHEDLO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000741793828 1131649738 /nfs/dbraw/zinc/64/97/38/1131649738.db2.gz ACZVWPADXAPYII-QLFBSQMISA-N 1 2 341.480 3.983 20 30 EHEDLO CCCCCCCC[C@@H](CC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001172501954 1131761254 /nfs/dbraw/zinc/76/12/54/1131761254.db2.gz GMICFUBOSPMHCT-CVEARBPZSA-N 1 2 329.481 3.600 20 30 EHEDLO N#Cc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c2ccccc12 ZINC001212668233 1131784190 /nfs/dbraw/zinc/78/41/90/1131784190.db2.gz PEUBXVRYJQVOAK-UHFFFAOYSA-N 1 2 329.403 3.632 20 30 EHEDLO N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175349141 1132640717 /nfs/dbraw/zinc/64/07/17/1132640717.db2.gz LLHJEFPRZBTFKR-UHFFFAOYSA-N 1 2 348.385 3.622 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000746487678 1133052523 /nfs/dbraw/zinc/05/25/23/1133052523.db2.gz PXXCUESVLNCKQE-UHFFFAOYSA-N 1 2 348.874 3.634 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000746487678 1133052529 /nfs/dbraw/zinc/05/25/29/1133052529.db2.gz PXXCUESVLNCKQE-UHFFFAOYSA-N 1 2 348.874 3.634 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)cc1Cl ZINC001178408673 1133167096 /nfs/dbraw/zinc/16/70/96/1133167096.db2.gz CXTGTDWUXHLIOC-GFCCVEGCSA-N 1 2 334.851 3.997 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c1 ZINC000768915252 1133202122 /nfs/dbraw/zinc/20/21/22/1133202122.db2.gz BMICMZPENLGUCG-UHFFFAOYSA-N 1 2 330.790 3.531 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)c1 ZINC000768915252 1133202128 /nfs/dbraw/zinc/20/21/28/1133202128.db2.gz BMICMZPENLGUCG-UHFFFAOYSA-N 1 2 330.790 3.531 20 30 EHEDLO CC(=[NH+]Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)cc1N(C)C ZINC000769822294 1133343781 /nfs/dbraw/zinc/34/37/81/1133343781.db2.gz HWLPLVQKTOBLMQ-UHFFFAOYSA-N 1 2 334.326 3.775 20 30 EHEDLO N#Cc1cc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cs1 ZINC001180368125 1133367343 /nfs/dbraw/zinc/36/73/43/1133367343.db2.gz HQKXBFSKZHIMRC-UHFFFAOYSA-N 1 2 345.899 3.981 20 30 EHEDLO N#Cc1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)cs1 ZINC001180368125 1133367348 /nfs/dbraw/zinc/36/73/48/1133367348.db2.gz HQKXBFSKZHIMRC-UHFFFAOYSA-N 1 2 345.899 3.981 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000770353341 1133419995 /nfs/dbraw/zinc/41/99/95/1133419995.db2.gz AVGNVZLEBRSEAQ-ZDUSSCGKSA-N 1 2 328.362 3.814 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000770353341 1133419997 /nfs/dbraw/zinc/41/99/97/1133419997.db2.gz AVGNVZLEBRSEAQ-ZDUSSCGKSA-N 1 2 328.362 3.814 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cncc4ccccc43)CCO2)c1 ZINC000770391650 1133422153 /nfs/dbraw/zinc/42/21/53/1133422153.db2.gz OHZUWMRWKRZMJY-NRFANRHFSA-N 1 2 329.403 3.680 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cncc4ccccc43)CCO2)c1 ZINC000770391650 1133422155 /nfs/dbraw/zinc/42/21/55/1133422155.db2.gz OHZUWMRWKRZMJY-NRFANRHFSA-N 1 2 329.403 3.680 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)Nc1[nH]ccc1C#N)c1ccccc1Cl ZINC001182217507 1133597258 /nfs/dbraw/zinc/59/72/58/1133597258.db2.gz AFIZUPZNLDTAIY-HNNXBMFYSA-N 1 2 330.819 3.561 20 30 EHEDLO C#CCCCCCC[NH2+][C@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC001182593820 1133705626 /nfs/dbraw/zinc/70/56/26/1133705626.db2.gz BTBRNPXFPXPEPW-GOSISDBHSA-N 1 2 330.472 3.508 20 30 EHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000774595352 1133775054 /nfs/dbraw/zinc/77/50/54/1133775054.db2.gz BYXQOIQJEUHRJI-INIZCTEOSA-N 1 2 347.434 3.529 20 30 EHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000774595352 1133775060 /nfs/dbraw/zinc/77/50/60/1133775060.db2.gz BYXQOIQJEUHRJI-INIZCTEOSA-N 1 2 347.434 3.529 20 30 EHEDLO COc1ncc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1Cl ZINC000789156705 1134231689 /nfs/dbraw/zinc/23/16/89/1134231689.db2.gz RRSYHSBHOMHWNG-WAYWQWQTSA-N 1 2 327.771 3.596 20 30 EHEDLO C=CC[N@@H+](CCOC)Cc1nc2ccc(Br)cc2s1 ZINC000775116745 1134330873 /nfs/dbraw/zinc/33/08/73/1134330873.db2.gz WAABEOJCRCXIKN-UHFFFAOYSA-N 1 2 341.274 3.693 20 30 EHEDLO C=CC[N@H+](CCOC)Cc1nc2ccc(Br)cc2s1 ZINC000775116745 1134330877 /nfs/dbraw/zinc/33/08/77/1134330877.db2.gz WAABEOJCRCXIKN-UHFFFAOYSA-N 1 2 341.274 3.693 20 30 EHEDLO Cn1cc[nH+]c1NN=Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000790301799 1134399272 /nfs/dbraw/zinc/39/92/72/1134399272.db2.gz IQNSMZJGWLNJSL-UHFFFAOYSA-N 1 2 337.339 3.567 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000791646543 1134585176 /nfs/dbraw/zinc/58/51/76/1134585176.db2.gz RYYJVYJWOJHGRF-HXUWFJFHSA-N 1 2 334.419 3.656 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000791646543 1134585178 /nfs/dbraw/zinc/58/51/78/1134585178.db2.gz RYYJVYJWOJHGRF-HXUWFJFHSA-N 1 2 334.419 3.656 20 30 EHEDLO CC(C)Cc1nc(C#N)c(N=NC(C)C[NH+]2Cc3ccccc3C2)o1 ZINC000792636325 1134760684 /nfs/dbraw/zinc/76/06/84/1134760684.db2.gz XEDBWVULPDMUDE-UHFFFAOYSA-N 1 2 337.427 3.548 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001129983703 1135211041 /nfs/dbraw/zinc/21/10/41/1135211041.db2.gz KYHBOTMWPDELLQ-INIZCTEOSA-N 1 2 344.418 3.636 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000805756189 1135329023 /nfs/dbraw/zinc/32/90/23/1135329023.db2.gz UZFGLIMKEGFGJE-AWEZNQCLSA-N 1 2 342.240 3.705 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000805756189 1135329028 /nfs/dbraw/zinc/32/90/28/1135329028.db2.gz UZFGLIMKEGFGJE-AWEZNQCLSA-N 1 2 342.240 3.705 20 30 EHEDLO Cc1cc(C(=O)/C=C/c2c[nH+]c3c(C)cc(Br)cn23)no1 ZINC000806556333 1135458042 /nfs/dbraw/zinc/45/80/42/1135458042.db2.gz RIMDPUSNFKUXFC-ONEGZZNKSA-N 1 2 346.184 3.598 20 30 EHEDLO Cc1cc([N+](=O)[O-])ccc1NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000807990474 1135599615 /nfs/dbraw/zinc/59/96/15/1135599615.db2.gz DBDJVPXZRPRKQZ-UHFFFAOYSA-N 1 2 327.369 3.596 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(CC)cc2)n1)[C@@H]1CCCO1 ZINC000775792658 1135746606 /nfs/dbraw/zinc/74/66/06/1135746606.db2.gz SKYSEETUYMXXGE-MSOLQXFVSA-N 1 2 326.465 3.643 20 30 EHEDLO COc1ccc2c(c1F)C/C(=C\c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000809158417 1135792462 /nfs/dbraw/zinc/79/24/62/1135792462.db2.gz YHSBOONLMJOQAJ-IZZDOVSWSA-N 1 2 340.379 3.904 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(Cl)cc1F ZINC000809699839 1135869188 /nfs/dbraw/zinc/86/91/88/1135869188.db2.gz TUBQYKHJEHUXKE-IBGZPJMESA-N 1 2 347.817 3.968 20 30 EHEDLO C#Cc1ccccc1CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000810272488 1135950615 /nfs/dbraw/zinc/95/06/15/1135950615.db2.gz GDISGZBGWXVFCV-UHFFFAOYSA-N 1 2 335.794 3.688 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 ZINC000810522121 1135968921 /nfs/dbraw/zinc/96/89/21/1135968921.db2.gz XGRZJNOHICGACN-QRWLVFNGSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 ZINC000810522121 1135968924 /nfs/dbraw/zinc/96/89/24/1135968924.db2.gz XGRZJNOHICGACN-QRWLVFNGSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(=[NH+]OC/C=C/Cl)c1ccc(N2CCOCC2)cc1Cl ZINC000811669961 1136120230 /nfs/dbraw/zinc/12/02/30/1136120230.db2.gz WZZYCWDYLHVYJA-XHYPYSGHSA-N 1 2 329.227 3.670 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1 ZINC000812794301 1136251262 /nfs/dbraw/zinc/25/12/62/1136251262.db2.gz YKHSXABYGRRTCN-OAHLLOKOSA-N 1 2 334.188 3.758 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1=S ZINC000814226438 1136425794 /nfs/dbraw/zinc/42/57/94/1136425794.db2.gz XCCUMUJAFSCLOP-KRWDZBQOSA-N 1 2 328.485 3.746 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1=S ZINC000814226438 1136425796 /nfs/dbraw/zinc/42/57/96/1136425796.db2.gz XCCUMUJAFSCLOP-KRWDZBQOSA-N 1 2 328.485 3.746 20 30 EHEDLO C=C(Br)C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000814292102 1136434733 /nfs/dbraw/zinc/43/47/33/1136434733.db2.gz NDOLHFKOPBITRC-UHFFFAOYSA-N 1 2 325.231 3.824 20 30 EHEDLO CC(=[NH+]Nc1ccnc(Cl)c1)c1ccc(N2CCCC2)cc1O ZINC000853395037 1136530243 /nfs/dbraw/zinc/53/02/43/1136530243.db2.gz IWITUOSBGFLJEF-UHFFFAOYSA-N 1 2 330.819 3.877 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853626994 1136550472 /nfs/dbraw/zinc/55/04/72/1136550472.db2.gz LWTWZHJQMCKHIM-OAHLLOKOSA-N 1 2 343.500 3.597 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C[C@H]2CC2(C)C)c1=S ZINC000853626994 1136550468 /nfs/dbraw/zinc/55/04/68/1136550468.db2.gz LWTWZHJQMCKHIM-OAHLLOKOSA-N 1 2 343.500 3.597 20 30 EHEDLO C=CCCCc1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000854107799 1136588343 /nfs/dbraw/zinc/58/83/43/1136588343.db2.gz SDENNXQDIWEAPH-NVXWUHKLSA-N 1 2 327.428 3.540 20 30 EHEDLO C=CCCCc1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000854107799 1136588345 /nfs/dbraw/zinc/58/83/45/1136588345.db2.gz SDENNXQDIWEAPH-NVXWUHKLSA-N 1 2 327.428 3.540 20 30 EHEDLO C=CCC(F)(F)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000815876633 1136643987 /nfs/dbraw/zinc/64/39/87/1136643987.db2.gz HUNVNULPWSSPOB-UHFFFAOYSA-N 1 2 329.350 3.752 20 30 EHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000818347442 1136874960 /nfs/dbraw/zinc/87/49/60/1136874960.db2.gz QXIRRKGPFYETFH-YHAQOWFVSA-N 1 2 344.224 3.536 20 30 EHEDLO C=CCC[C@@H](OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C1CC1 ZINC000805900054 1137178436 /nfs/dbraw/zinc/17/84/36/1137178436.db2.gz GNGIIMQHUVREAG-GOSISDBHSA-N 1 2 348.512 3.952 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1Cc2ccc(OC)cc2C1=O ZINC000794650888 1137223954 /nfs/dbraw/zinc/22/39/54/1137223954.db2.gz ORAPNHAUELEGEW-UHFFFAOYSA-N 1 2 336.435 3.687 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1Cc2ccc(OC)cc2C1=O ZINC000794650888 1137223956 /nfs/dbraw/zinc/22/39/56/1137223956.db2.gz ORAPNHAUELEGEW-UHFFFAOYSA-N 1 2 336.435 3.687 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CC)CC2CCC2)c1=S ZINC000794682264 1137226043 /nfs/dbraw/zinc/22/60/43/1137226043.db2.gz GZBNFGMDNHBYAM-UHFFFAOYSA-N 1 2 332.473 3.940 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CC)CC2CCC2)c1=S ZINC000794682264 1137226045 /nfs/dbraw/zinc/22/60/45/1137226045.db2.gz GZBNFGMDNHBYAM-UHFFFAOYSA-N 1 2 332.473 3.940 20 30 EHEDLO COc1ccc(-c2ncc(C[N@@H+]3CC[C@@](C)(C#N)C3)s2)cc1OC ZINC001144071253 1137234939 /nfs/dbraw/zinc/23/49/39/1137234939.db2.gz UTWDVMZUZDXOJB-SFHVURJKSA-N 1 2 343.452 3.563 20 30 EHEDLO COc1ccc(-c2ncc(C[N@H+]3CC[C@@](C)(C#N)C3)s2)cc1OC ZINC001144071253 1137234941 /nfs/dbraw/zinc/23/49/41/1137234941.db2.gz UTWDVMZUZDXOJB-SFHVURJKSA-N 1 2 343.452 3.563 20 30 EHEDLO Cn1cc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c2ccccc21 ZINC000794707892 1137239960 /nfs/dbraw/zinc/23/99/60/1137239960.db2.gz OORDAYCERWCLCS-CMDGGOBGSA-N 1 2 325.437 3.593 20 30 EHEDLO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)ccc1OC(F)F ZINC000866218269 1137335659 /nfs/dbraw/zinc/33/56/59/1137335659.db2.gz MUWQIDMCYIPQGF-NSHDSACASA-N 1 2 348.349 3.725 20 30 EHEDLO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1cccc(C#N)c1O ZINC000866217020 1137335770 /nfs/dbraw/zinc/33/57/70/1137335770.db2.gz JKOAMZCNGWGHOV-QAPCUYQASA-N 1 2 339.439 3.735 20 30 EHEDLO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866312275 1137344419 /nfs/dbraw/zinc/34/44/19/1137344419.db2.gz RVVSISUPYIBNHJ-ARGWCVDVSA-N 1 2 340.423 3.699 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866336442 1137347032 /nfs/dbraw/zinc/34/70/32/1137347032.db2.gz FQOJCBKRHQWBKL-SOVGHPHASA-N 1 2 340.398 3.974 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1cccc(C#N)c1O ZINC000866362899 1137349495 /nfs/dbraw/zinc/34/94/95/1137349495.db2.gz INOPHJFPEULZQY-UONOGXRCSA-N 1 2 347.459 3.608 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001171230348 1137356008 /nfs/dbraw/zinc/35/60/08/1137356008.db2.gz UWKNCFMMLVDRBZ-JLTOFOAXSA-N 1 2 342.389 3.841 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001171230348 1137356010 /nfs/dbraw/zinc/35/60/10/1137356010.db2.gz UWKNCFMMLVDRBZ-JLTOFOAXSA-N 1 2 342.389 3.841 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)N1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001171233158 1137356138 /nfs/dbraw/zinc/35/61/38/1137356138.db2.gz ZMPRRTWZZNWXIZ-LPHOPBHVSA-N 1 2 347.453 3.685 20 30 EHEDLO C=CC[C@H]1CC[C@@H]([NH2+]c2ccc(N3CCN(C(C)=O)CC3)cc2)C1 ZINC000866626511 1137371207 /nfs/dbraw/zinc/37/12/07/1137371207.db2.gz NSBMPUUMIOHNQS-PKOBYXMFSA-N 1 2 327.472 3.512 20 30 EHEDLO C=CCOc1ccccc1[C@H](C)Nc1[nH+]ccc(OC)c1C(=O)OC ZINC001171370143 1137458892 /nfs/dbraw/zinc/45/88/92/1137458892.db2.gz SXXKVMRAZNEQMS-ZDUSSCGKSA-N 1 2 342.395 3.615 20 30 EHEDLO CCC[C@](C)(C#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171841285 1137515328 /nfs/dbraw/zinc/51/53/28/1137515328.db2.gz OZGQJTOSRARRHH-MAUKXSAKSA-N 1 2 335.492 3.981 20 30 EHEDLO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001172212947 1137541638 /nfs/dbraw/zinc/54/16/38/1137541638.db2.gz MMCKXTQDESAKIC-HFCFLWKCSA-N 1 2 346.858 3.681 20 30 EHEDLO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001172212947 1137541640 /nfs/dbraw/zinc/54/16/40/1137541640.db2.gz MMCKXTQDESAKIC-HFCFLWKCSA-N 1 2 346.858 3.681 20 30 EHEDLO C=CCC1([NH2+]Cc2cc(Br)cc(F)c2O)CCOCC1 ZINC000883170668 1137847104 /nfs/dbraw/zinc/84/71/04/1137847104.db2.gz ZEDHEVGLHCFUPG-UHFFFAOYSA-N 1 2 344.224 3.509 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(Br)cc1 ZINC000133154283 1137879416 /nfs/dbraw/zinc/87/94/16/1137879416.db2.gz ILDPJHFDMCUZTJ-CMDGGOBGSA-N 1 2 327.181 3.993 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000118847680 1137935983 /nfs/dbraw/zinc/93/59/83/1137935983.db2.gz FZICSQVZBVNHSG-UHFFFAOYSA-N 1 2 347.509 3.885 20 30 EHEDLO CC[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCS1 ZINC000072861921 1138108454 /nfs/dbraw/zinc/10/84/54/1138108454.db2.gz IAZOAZYKDZLQDD-HNNXBMFYSA-N 1 2 341.480 3.565 20 30 EHEDLO CC[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CCS1 ZINC000072861921 1138108455 /nfs/dbraw/zinc/10/84/55/1138108455.db2.gz IAZOAZYKDZLQDD-HNNXBMFYSA-N 1 2 341.480 3.565 20 30 EHEDLO Cc1occc1C[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000097270819 1138274302 /nfs/dbraw/zinc/27/43/02/1138274302.db2.gz KEADKYOUYOXAKR-UHFFFAOYSA-N 1 2 345.830 3.620 20 30 EHEDLO Cc1occc1C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000097270819 1138274305 /nfs/dbraw/zinc/27/43/05/1138274305.db2.gz KEADKYOUYOXAKR-UHFFFAOYSA-N 1 2 345.830 3.620 20 30 EHEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135232367 1138736004 /nfs/dbraw/zinc/73/60/04/1138736004.db2.gz XKGLZHZSDTXEQR-GOSISDBHSA-N 1 2 348.494 3.762 20 30 EHEDLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000136861328 1138819259 /nfs/dbraw/zinc/81/92/59/1138819259.db2.gz ZUXDTYNLIMDJGI-UHFFFAOYSA-N 1 2 345.258 3.734 20 30 EHEDLO C#CCOc1ccc(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000173864580 1139382977 /nfs/dbraw/zinc/38/29/77/1139382977.db2.gz OBAZCFZWYRMGRZ-OAHLLOKOSA-N 1 2 339.439 3.980 20 30 EHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2csc(C3CC3)n2)CC1 ZINC000179475493 1139759167 /nfs/dbraw/zinc/75/91/67/1139759167.db2.gz FXMSAASLSISPLY-UHFFFAOYSA-N 1 2 338.480 3.604 20 30 EHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2csc(C3CC3)n2)CC1 ZINC000179475493 1139759171 /nfs/dbraw/zinc/75/91/71/1139759171.db2.gz FXMSAASLSISPLY-UHFFFAOYSA-N 1 2 338.480 3.604 20 30 EHEDLO C[C@@H](c1nnc(SCCCCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000185464546 1140151318 /nfs/dbraw/zinc/15/13/18/1140151318.db2.gz MXOOWAHECWUVNV-ZDUSSCGKSA-N 1 2 347.463 3.815 20 30 EHEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186818637 1140222980 /nfs/dbraw/zinc/22/29/80/1140222980.db2.gz UIPWPLZMHWRYCM-HNNXBMFYSA-N 1 2 342.439 3.853 20 30 EHEDLO O=[N+]([O-])c1cc(C=[NH+]OCCC(F)(F)F)ccc1N1CCCCC1 ZINC000777461309 1140401898 /nfs/dbraw/zinc/40/18/98/1140401898.db2.gz WWOBSSLLAUVKQH-UHFFFAOYSA-N 1 2 345.321 3.888 20 30 EHEDLO Cn1cc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1C#N ZINC000191403619 1140461713 /nfs/dbraw/zinc/46/17/13/1140461713.db2.gz XRADSIOIVTZAKA-UHFFFAOYSA-N 1 2 331.423 3.709 20 30 EHEDLO CC[C@H](C)[N@H+](CC#Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000192106950 1140502605 /nfs/dbraw/zinc/50/26/05/1140502605.db2.gz GTFODURJOICCPI-KRWDZBQOSA-N 1 2 345.446 3.575 20 30 EHEDLO CC[C@H](C)[N@@H+](CC#Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000192106950 1140502610 /nfs/dbraw/zinc/50/26/10/1140502610.db2.gz GTFODURJOICCPI-KRWDZBQOSA-N 1 2 345.446 3.575 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2NCc1cn2c([nH+]1)CCCC2 ZINC000266382850 1140677728 /nfs/dbraw/zinc/67/77/28/1140677728.db2.gz NEHDIFCJTGPGTP-UHFFFAOYSA-N 1 2 335.386 3.699 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000271021784 1141295695 /nfs/dbraw/zinc/29/56/95/1141295695.db2.gz JHOABIJWIZJQDK-IBGZPJMESA-N 1 2 346.434 3.791 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000271021784 1141295697 /nfs/dbraw/zinc/29/56/97/1141295697.db2.gz JHOABIJWIZJQDK-IBGZPJMESA-N 1 2 346.434 3.791 20 30 EHEDLO COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000271045315 1141299229 /nfs/dbraw/zinc/29/92/29/1141299229.db2.gz QQJAHCAVFIAGEB-UHFFFAOYSA-N 1 2 335.201 3.554 20 30 EHEDLO COc1ccc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000271045315 1141299231 /nfs/dbraw/zinc/29/92/31/1141299231.db2.gz QQJAHCAVFIAGEB-UHFFFAOYSA-N 1 2 335.201 3.554 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)C[C@H](C)C#N)c2)cc1 ZINC000271110125 1141308176 /nfs/dbraw/zinc/30/81/76/1141308176.db2.gz ASIOXOULFZCNKO-OAHLLOKOSA-N 1 2 337.423 3.539 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)C[C@H](C)C#N)c2)cc1 ZINC000271110125 1141308182 /nfs/dbraw/zinc/30/81/82/1141308182.db2.gz ASIOXOULFZCNKO-OAHLLOKOSA-N 1 2 337.423 3.539 20 30 EHEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000274199491 1141485173 /nfs/dbraw/zinc/48/51/73/1141485173.db2.gz SYEZXDYWNNPGSQ-CQSZACIVSA-N 1 2 339.464 3.706 20 30 EHEDLO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1cccc(O)c1 ZINC000348539704 1141548446 /nfs/dbraw/zinc/54/84/46/1141548446.db2.gz POLJLDIJTAWTKP-AWEZNQCLSA-N 1 2 348.406 3.897 20 30 EHEDLO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)c1cccc(O)c1 ZINC000348539704 1141548449 /nfs/dbraw/zinc/54/84/49/1141548449.db2.gz POLJLDIJTAWTKP-AWEZNQCLSA-N 1 2 348.406 3.897 20 30 EHEDLO C=CC[N@@H+](Cc1cc2c(cc1Br)OCCCO2)C1CC1 ZINC000348922268 1141609998 /nfs/dbraw/zinc/60/99/98/1141609998.db2.gz UIBQOOXNZNRDIC-UHFFFAOYSA-N 1 2 338.245 3.761 20 30 EHEDLO C=CC[N@H+](Cc1cc2c(cc1Br)OCCCO2)C1CC1 ZINC000348922268 1141610001 /nfs/dbraw/zinc/61/00/01/1141610001.db2.gz UIBQOOXNZNRDIC-UHFFFAOYSA-N 1 2 338.245 3.761 20 30 EHEDLO CC1(C)CCCc2cc(C#N)c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)nc21 ZINC000579789687 1014559998 /nfs/dbraw/zinc/55/99/98/1014559998.db2.gz WCIILAJPQHHOQW-GOSISDBHSA-N 1 2 348.450 3.620 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728196164 1014943295 /nfs/dbraw/zinc/94/32/95/1014943295.db2.gz RHNCBOLPSADBQK-IBGZPJMESA-N 1 2 338.426 3.787 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728196164 1014943306 /nfs/dbraw/zinc/94/33/06/1014943306.db2.gz RHNCBOLPSADBQK-IBGZPJMESA-N 1 2 338.426 3.787 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248638011 1032119104 /nfs/dbraw/zinc/11/91/04/1032119104.db2.gz VVLNAHRBZIBCIE-ZLIFDBKOSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248638011 1032119113 /nfs/dbraw/zinc/11/91/13/1032119113.db2.gz VVLNAHRBZIBCIE-ZLIFDBKOSA-N 1 2 338.854 3.943 20 30 EHEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC001167276316 1016940763 /nfs/dbraw/zinc/94/07/63/1016940763.db2.gz IYFSGTOZNBHWRC-QGZVFWFLSA-N 1 2 347.245 3.957 20 30 EHEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC001167276316 1016940773 /nfs/dbraw/zinc/94/07/73/1016940773.db2.gz IYFSGTOZNBHWRC-QGZVFWFLSA-N 1 2 347.245 3.957 20 30 EHEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1nc(Br)cs1 ZINC000905082279 1032334524 /nfs/dbraw/zinc/33/45/24/1032334524.db2.gz VHXXWEKFNNYLBI-ARJAWSKDSA-N 1 2 326.219 3.579 20 30 EHEDLO Cc1cccn2cc(C[S@@](=O)Cc3c(C)cc(C#N)cc3C)[nH+]c12 ZINC000905191389 1032366953 /nfs/dbraw/zinc/36/69/53/1032366953.db2.gz VFFJNKKGHWZFKB-XMMPIXPASA-N 1 2 337.448 3.580 20 30 EHEDLO Cc1nc2[nH]ccc2c(NCc2ccc(-c3ccccc3C#N)cc2)[nH+]1 ZINC000536892788 1032402009 /nfs/dbraw/zinc/40/20/09/1032402009.db2.gz JHPWARIXHGYTQR-UHFFFAOYSA-N 1 2 339.402 3.839 20 30 EHEDLO CC1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3C#N)cn2)CC1 ZINC000602002170 1032589824 /nfs/dbraw/zinc/58/98/24/1032589824.db2.gz CUCODZZULVEIJG-UHFFFAOYSA-N 1 2 338.430 3.618 20 30 EHEDLO CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)cc1 ZINC000890936736 1017381961 /nfs/dbraw/zinc/38/19/61/1017381961.db2.gz YAAYODUNVGSQGC-GOSISDBHSA-N 1 2 332.407 3.542 20 30 EHEDLO Cc1cccn2c(/C=C\C(=O)c3c(Cl)nc4ccccn43)c[nH+]c12 ZINC000255121716 1017842690 /nfs/dbraw/zinc/84/26/90/1017842690.db2.gz VERCYOTWKPGDRN-FPLPWBNLSA-N 1 2 336.782 3.840 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377492872 1017889141 /nfs/dbraw/zinc/88/91/41/1017889141.db2.gz JYVAKDFIQFKHMV-OAHLLOKOSA-N 1 2 342.361 3.898 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000377492872 1017889158 /nfs/dbraw/zinc/88/91/58/1017889158.db2.gz JYVAKDFIQFKHMV-OAHLLOKOSA-N 1 2 342.361 3.898 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nnc(C(C)C)s2)c1 ZINC000892973749 1018015212 /nfs/dbraw/zinc/01/52/12/1018015212.db2.gz WTLNJPAHEJPJMQ-AWEZNQCLSA-N 1 2 330.457 3.632 20 30 EHEDLO C=CC[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(OC)cc1 ZINC000614352570 1018787049 /nfs/dbraw/zinc/78/70/49/1018787049.db2.gz KVWOCGVHRVQSNX-UHFFFAOYSA-N 1 2 342.483 3.690 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccc(OC)cc1 ZINC000614352570 1018787062 /nfs/dbraw/zinc/78/70/62/1018787062.db2.gz KVWOCGVHRVQSNX-UHFFFAOYSA-N 1 2 342.483 3.690 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000345767787 1020499981 /nfs/dbraw/zinc/49/99/81/1020499981.db2.gz HQSSDTGJTNCBLW-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000345767787 1020499987 /nfs/dbraw/zinc/49/99/87/1020499987.db2.gz HQSSDTGJTNCBLW-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1F ZINC000340885470 1020537501 /nfs/dbraw/zinc/53/75/01/1020537501.db2.gz FEKQNMIRQYTKKX-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1F ZINC000340885470 1020537504 /nfs/dbraw/zinc/53/75/04/1020537504.db2.gz FEKQNMIRQYTKKX-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCSC3CCCCC3)CCO2)c1 ZINC000501006403 1020642743 /nfs/dbraw/zinc/64/27/43/1020642743.db2.gz IYSRWGYQSACICK-IBGZPJMESA-N 1 2 330.497 3.997 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCSC3CCCCC3)CCO2)c1 ZINC000501006403 1020642747 /nfs/dbraw/zinc/64/27/47/1020642747.db2.gz IYSRWGYQSACICK-IBGZPJMESA-N 1 2 330.497 3.997 20 30 EHEDLO CCCCCCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001270766982 1021345656 /nfs/dbraw/zinc/34/56/56/1021345656.db2.gz GEMFYPWLMFBYSQ-MOPGFXCFSA-N 1 2 338.536 3.839 20 30 EHEDLO CCCCCCCCCCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001270766982 1021345670 /nfs/dbraw/zinc/34/56/70/1021345670.db2.gz GEMFYPWLMFBYSQ-MOPGFXCFSA-N 1 2 338.536 3.839 20 30 EHEDLO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)n1 ZINC000437904515 1021381694 /nfs/dbraw/zinc/38/16/94/1021381694.db2.gz OILCGAMIGWJUGE-UHFFFAOYSA-N 1 2 337.395 3.950 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2c(Cl)n[nH]c2C2CC2)C2CC2)cc1 ZINC000891595989 1022071908 /nfs/dbraw/zinc/07/19/08/1022071908.db2.gz HSEDDDJCARRTSU-UHFFFAOYSA-N 1 2 326.831 3.977 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C2CC2)cc1 ZINC000891595989 1022071919 /nfs/dbraw/zinc/07/19/19/1022071919.db2.gz HSEDDDJCARRTSU-UHFFFAOYSA-N 1 2 326.831 3.977 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nccc2c1CCCC2 ZINC000894411037 1022191069 /nfs/dbraw/zinc/19/10/69/1022191069.db2.gz BVZVXXGEJFYJPE-UHFFFAOYSA-N 1 2 326.440 3.624 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nccc2c1CCCC2 ZINC000894411037 1022191080 /nfs/dbraw/zinc/19/10/80/1022191080.db2.gz BVZVXXGEJFYJPE-UHFFFAOYSA-N 1 2 326.440 3.624 20 30 EHEDLO CC(C)(C)C1=CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000328898148 1022530829 /nfs/dbraw/zinc/53/08/29/1022530829.db2.gz XWUKDTKXYPTIPR-UHFFFAOYSA-N 1 2 338.455 3.965 20 30 EHEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000330783759 1022684887 /nfs/dbraw/zinc/68/48/87/1022684887.db2.gz QWLMFWZGLDEARW-HNNXBMFYSA-N 1 2 327.472 3.764 20 30 EHEDLO C[C@@H](C#N)CN(C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439053583 1023245372 /nfs/dbraw/zinc/24/53/72/1023245372.db2.gz HTPFJXHCCHLYCS-AWEZNQCLSA-N 1 2 337.427 3.510 20 30 EHEDLO N#Cc1cc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)ccc1F ZINC000610720086 1023351968 /nfs/dbraw/zinc/35/19/68/1023351968.db2.gz YTBQQRNEFZNSEH-GHMZBOCLSA-N 1 2 340.242 3.870 20 30 EHEDLO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000181323184 1023898875 /nfs/dbraw/zinc/89/88/75/1023898875.db2.gz PBAGQWHWXDFUHG-UHFFFAOYSA-N 1 2 328.235 3.569 20 30 EHEDLO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000181323184 1023898881 /nfs/dbraw/zinc/89/88/81/1023898881.db2.gz PBAGQWHWXDFUHG-UHFFFAOYSA-N 1 2 328.235 3.569 20 30 EHEDLO CC1(C)CCCc2sc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)nc21 ZINC000329640088 1023970651 /nfs/dbraw/zinc/97/06/51/1023970651.db2.gz ZPJWFQIQXBKJBA-LLVKDONJSA-N 1 2 330.457 3.804 20 30 EHEDLO C[C@@H]1CCN(C([O-])=[NH+]c2nc(C(C)(C)C)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000329899509 1024241627 /nfs/dbraw/zinc/24/16/27/1024241627.db2.gz NBJZWHHIUYOVPX-OLZOCXBDSA-N 1 2 347.488 3.766 20 30 EHEDLO C[C@H](CC1CCCCC1)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330207828 1024356228 /nfs/dbraw/zinc/35/62/28/1024356228.db2.gz AOQMFKYKBBRNQT-QGPMSJSTSA-N 1 2 348.491 3.503 20 30 EHEDLO Cc1ccc([C@@H]2CCCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000330299326 1024458380 /nfs/dbraw/zinc/45/83/80/1024458380.db2.gz MGFZVWLGVKBJSA-ROUUACIJSA-N 1 2 338.455 3.648 20 30 EHEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000602862887 1033214491 /nfs/dbraw/zinc/21/44/91/1033214491.db2.gz MKJYOQWSGYIJLU-RKDXNWHRSA-N 1 2 333.741 3.578 20 30 EHEDLO Cc1cc(N2CCC(c3ccc(C#N)cn3)CC2)nc(C2CCC2)[nH+]1 ZINC000895114433 1024533780 /nfs/dbraw/zinc/53/37/80/1024533780.db2.gz LFIAVGSKCIDXEP-UHFFFAOYSA-N 1 2 333.439 3.703 20 30 EHEDLO N#CCCCOc1cccc(C[N@H+]2CCOc3c(F)cccc3C2)c1 ZINC000435038924 1024562873 /nfs/dbraw/zinc/56/28/73/1024562873.db2.gz YAJCFLUTGDNNBO-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO N#CCCCOc1cccc(C[N@@H+]2CCOc3c(F)cccc3C2)c1 ZINC000435038924 1024562882 /nfs/dbraw/zinc/56/28/82/1024562882.db2.gz YAJCFLUTGDNNBO-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO COc1ccc(C2CC2)cc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000895536296 1024594262 /nfs/dbraw/zinc/59/42/62/1024594262.db2.gz JGJBZIXEKMVTDW-UHFFFAOYSA-N 1 2 327.815 3.782 20 30 EHEDLO CCn1c[nH+]cc1CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000425367537 1024876207 /nfs/dbraw/zinc/87/62/07/1024876207.db2.gz UAFKICKAFPXLHA-CYBMUJFWSA-N 1 2 336.361 3.836 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000097060013 1024984084 /nfs/dbraw/zinc/98/40/84/1024984084.db2.gz WWLOCJQECPXLLC-CQSZACIVSA-N 1 2 338.879 3.594 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000097060013 1024984092 /nfs/dbraw/zinc/98/40/92/1024984092.db2.gz WWLOCJQECPXLLC-CQSZACIVSA-N 1 2 338.879 3.594 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000428248157 1025255425 /nfs/dbraw/zinc/25/54/25/1025255425.db2.gz BIMKIXGMQMBIOT-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000428248157 1025255428 /nfs/dbraw/zinc/25/54/28/1025255428.db2.gz BIMKIXGMQMBIOT-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436147526 1025416874 /nfs/dbraw/zinc/41/68/74/1025416874.db2.gz DQZBRNWFZVQXQO-VIFPVBQESA-N 1 2 348.615 3.679 20 30 EHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436147526 1025416885 /nfs/dbraw/zinc/41/68/85/1025416885.db2.gz DQZBRNWFZVQXQO-VIFPVBQESA-N 1 2 348.615 3.679 20 30 EHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000466969790 1025438538 /nfs/dbraw/zinc/43/85/38/1025438538.db2.gz TUUSFXUHSGVZHW-SJORKVTESA-N 1 2 340.448 3.806 20 30 EHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000466969790 1025438544 /nfs/dbraw/zinc/43/85/44/1025438544.db2.gz TUUSFXUHSGVZHW-SJORKVTESA-N 1 2 340.448 3.806 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCO[C@H](C)C3)n2)C1 ZINC000329236697 1025686995 /nfs/dbraw/zinc/68/69/95/1025686995.db2.gz ONAKTCNSRCWGHW-MCIONIFRSA-N 1 2 337.489 3.778 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCO[C@H](C)C3)n2)C1 ZINC000329236697 1025687005 /nfs/dbraw/zinc/68/70/05/1025687005.db2.gz ONAKTCNSRCWGHW-MCIONIFRSA-N 1 2 337.489 3.778 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000451392836 1025914502 /nfs/dbraw/zinc/91/45/02/1025914502.db2.gz KBESOCFCRXMTCM-AWEZNQCLSA-N 1 2 349.475 3.701 20 30 EHEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)nn1 ZINC000657428604 1026258125 /nfs/dbraw/zinc/25/81/25/1026258125.db2.gz MVNHEHGPCWIMBH-MRXNPFEDSA-N 1 2 332.835 3.511 20 30 EHEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)cc3C)n2)c1 ZINC000186330663 1026515197 /nfs/dbraw/zinc/51/51/97/1026515197.db2.gz YZLAOCMKFVWPPG-AWEZNQCLSA-N 1 2 348.406 3.776 20 30 EHEDLO C[N@H+](CC#Cc1ccccc1Cl)Cc1ccc([S@](C)=O)cc1 ZINC000135128737 1026602171 /nfs/dbraw/zinc/60/21/71/1026602171.db2.gz MIQWLEFOAYKXFM-JOCHJYFZSA-N 1 2 331.868 3.561 20 30 EHEDLO C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccc([S@](C)=O)cc1 ZINC000135128737 1026602177 /nfs/dbraw/zinc/60/21/77/1026602177.db2.gz MIQWLEFOAYKXFM-JOCHJYFZSA-N 1 2 331.868 3.561 20 30 EHEDLO C=CCCO[C@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000277707583 1026642508 /nfs/dbraw/zinc/64/25/08/1026642508.db2.gz NHWFERSWRPSODS-OAHLLOKOSA-N 1 2 339.439 3.806 20 30 EHEDLO CC(C)[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCCO1 ZINC000339817275 1026665659 /nfs/dbraw/zinc/66/56/59/1026665659.db2.gz BMHDQLVDHTZLEG-MRXNPFEDSA-N 1 2 337.261 3.568 20 30 EHEDLO CC(C)[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCCO1 ZINC000339817275 1026665666 /nfs/dbraw/zinc/66/56/66/1026665666.db2.gz BMHDQLVDHTZLEG-MRXNPFEDSA-N 1 2 337.261 3.568 20 30 EHEDLO C[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000268218143 1027100427 /nfs/dbraw/zinc/10/04/27/1027100427.db2.gz BXICQPJUCGGMDF-BLLLJJGKSA-N 1 2 334.345 3.861 20 30 EHEDLO C=CCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000501208550 1027139185 /nfs/dbraw/zinc/13/91/85/1027139185.db2.gz KERBGLVDNBZZNQ-CQSZACIVSA-N 1 2 326.234 3.561 20 30 EHEDLO C=CCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(Br)c1 ZINC000501208550 1027139189 /nfs/dbraw/zinc/13/91/89/1027139189.db2.gz KERBGLVDNBZZNQ-CQSZACIVSA-N 1 2 326.234 3.561 20 30 EHEDLO CC1CC(C#N)(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000531812452 1027410333 /nfs/dbraw/zinc/41/03/33/1027410333.db2.gz DKKIUPMVLDVLGM-UHFFFAOYSA-N 1 2 334.423 3.765 20 30 EHEDLO CCOc1cc(C[N@H+](CC)C[C@H](C)C#N)cc(Br)c1O ZINC000459321704 1027581763 /nfs/dbraw/zinc/58/17/63/1027581763.db2.gz HDHISHUGCRXGEW-LLVKDONJSA-N 1 2 341.249 3.535 20 30 EHEDLO CCOc1cc(C[N@@H+](CC)C[C@H](C)C#N)cc(Br)c1O ZINC000459321704 1027581777 /nfs/dbraw/zinc/58/17/77/1027581777.db2.gz HDHISHUGCRXGEW-LLVKDONJSA-N 1 2 341.249 3.535 20 30 EHEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000444766285 1028254670 /nfs/dbraw/zinc/25/46/70/1028254670.db2.gz HEENHXGXQXKNNF-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077666 1028709939 /nfs/dbraw/zinc/70/99/39/1028709939.db2.gz KXYYNQCVMMZJRT-SJLPKXTDSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077666 1028709945 /nfs/dbraw/zinc/70/99/45/1028709945.db2.gz KXYYNQCVMMZJRT-SJLPKXTDSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077667 1028710945 /nfs/dbraw/zinc/71/09/45/1028710945.db2.gz KXYYNQCVMMZJRT-AEFFLSMTSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077667 1028710953 /nfs/dbraw/zinc/71/09/53/1028710953.db2.gz KXYYNQCVMMZJRT-AEFFLSMTSA-N 1 2 333.863 3.531 20 30 EHEDLO N#Cc1ccccc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000367049857 1028719585 /nfs/dbraw/zinc/71/95/85/1028719585.db2.gz JTIOXUSUYNBDLE-MRXNPFEDSA-N 1 2 343.224 3.934 20 30 EHEDLO Cc1ccc(F)cc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000614992558 1029201581 /nfs/dbraw/zinc/20/15/81/1029201581.db2.gz UWCZAUBWDVXEBU-HXUWFJFHSA-N 1 2 341.405 3.656 20 30 EHEDLO CC1=CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000535963430 1029260889 /nfs/dbraw/zinc/26/08/89/1029260889.db2.gz JKMXNSVRPDWMOS-OAHLLOKOSA-N 1 2 329.469 3.529 20 30 EHEDLO CC1=CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000535963430 1029260904 /nfs/dbraw/zinc/26/09/04/1029260904.db2.gz JKMXNSVRPDWMOS-OAHLLOKOSA-N 1 2 329.469 3.529 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C#N)s1 ZINC000160740397 1030976298 /nfs/dbraw/zinc/97/62/98/1030976298.db2.gz MZLKMFMQVYTJHA-UHFFFAOYSA-N 1 2 327.453 3.779 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C#N)s1 ZINC000160740397 1030976323 /nfs/dbraw/zinc/97/63/23/1030976323.db2.gz MZLKMFMQVYTJHA-UHFFFAOYSA-N 1 2 327.453 3.779 20 30 EHEDLO Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000343513626 1031206378 /nfs/dbraw/zinc/20/63/78/1031206378.db2.gz QSLLEXBQECKKRE-CQSZACIVSA-N 1 2 342.393 3.616 20 30 EHEDLO Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000343513626 1031206389 /nfs/dbraw/zinc/20/63/89/1031206389.db2.gz QSLLEXBQECKKRE-CQSZACIVSA-N 1 2 342.393 3.616 20 30 EHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000783698220 1031254426 /nfs/dbraw/zinc/25/44/26/1031254426.db2.gz XOBYFOZCUURYJN-PLNGDYQASA-N 1 2 325.349 3.738 20 30 EHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000783698222 1031254816 /nfs/dbraw/zinc/25/48/16/1031254816.db2.gz XOBYFOZCUURYJN-SNAWJCMRSA-N 1 2 325.349 3.738 20 30 EHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1sccc1Br ZINC000903262432 1031312355 /nfs/dbraw/zinc/31/23/55/1031312355.db2.gz DYRJTIDTBOKWPW-ZETCQYMHSA-N 1 2 328.260 3.690 20 30 EHEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(Cl)cc1Br ZINC000161976629 1031368171 /nfs/dbraw/zinc/36/81/71/1031368171.db2.gz CAIPNBCESGETFC-SNVBAGLBSA-N 1 2 331.641 3.715 20 30 EHEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(Cl)cc1Br ZINC000161976629 1031368182 /nfs/dbraw/zinc/36/81/82/1031368182.db2.gz CAIPNBCESGETFC-SNVBAGLBSA-N 1 2 331.641 3.715 20 30 EHEDLO C=CCC[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347439371 1031578509 /nfs/dbraw/zinc/57/85/09/1031578509.db2.gz XOEGTCIGIUIWMZ-RTBURBONSA-N 1 2 337.467 3.876 20 30 EHEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000484563692 1031742647 /nfs/dbraw/zinc/74/26/47/1031742647.db2.gz YHGFDANIVWZNHW-UHFFFAOYSA-N 1 2 340.423 3.552 20 30 EHEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000484563692 1031742666 /nfs/dbraw/zinc/74/26/66/1031742666.db2.gz YHGFDANIVWZNHW-UHFFFAOYSA-N 1 2 340.423 3.552 20 30 EHEDLO COc1ccc2c(C[N@H+](CCC#N)CCC(C)C)cc(=O)oc2c1 ZINC000173538232 1033381759 /nfs/dbraw/zinc/38/17/59/1033381759.db2.gz VYCDIJYOKKNENA-UHFFFAOYSA-N 1 2 328.412 3.563 20 30 EHEDLO COc1ccc2c(C[N@@H+](CCC#N)CCC(C)C)cc(=O)oc2c1 ZINC000173538232 1033381772 /nfs/dbraw/zinc/38/17/72/1033381772.db2.gz VYCDIJYOKKNENA-UHFFFAOYSA-N 1 2 328.412 3.563 20 30 EHEDLO N#Cc1ccc(CCNc2[nH]c3ccc(Br)cc3[nH+]2)cc1 ZINC001167678740 1033667741 /nfs/dbraw/zinc/66/77/41/1033667741.db2.gz BINUIUFFOUUMLA-UHFFFAOYSA-N 1 2 341.212 3.852 20 30 EHEDLO N#Cc1ccc(CCNc2[nH]c3cc(Br)ccc3[nH+]2)cc1 ZINC001167678740 1033667744 /nfs/dbraw/zinc/66/77/44/1033667744.db2.gz BINUIUFFOUUMLA-UHFFFAOYSA-N 1 2 341.212 3.852 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000595613507 1033928088 /nfs/dbraw/zinc/92/80/88/1033928088.db2.gz FCXIFZZKITWBTO-NSHDSACASA-N 1 2 326.227 3.558 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000595613507 1033928101 /nfs/dbraw/zinc/92/81/01/1033928101.db2.gz FCXIFZZKITWBTO-NSHDSACASA-N 1 2 326.227 3.558 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c1C#N ZINC000599514851 1033973435 /nfs/dbraw/zinc/97/34/35/1033973435.db2.gz LVEGBNPQJPKQBN-ZIAGYGMSSA-N 1 2 344.409 3.776 20 30 EHEDLO COc1cccc(C2([NH2+]Cc3c(C#N)cccc3[N+](=O)[O-])CCC2)c1 ZINC000595846886 1034007815 /nfs/dbraw/zinc/00/78/15/1034007815.db2.gz CWRDTPIKCPXUNM-UHFFFAOYSA-N 1 2 337.379 3.644 20 30 EHEDLO COC[C@H](C)[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000599683722 1034112049 /nfs/dbraw/zinc/11/20/49/1034112049.db2.gz UOVZODBAQBCURR-SUMWQHHRSA-N 1 2 327.453 3.539 20 30 EHEDLO COC[C@H](C)[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000599683722 1034112056 /nfs/dbraw/zinc/11/20/56/1034112056.db2.gz UOVZODBAQBCURR-SUMWQHHRSA-N 1 2 327.453 3.539 20 30 EHEDLO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686353 1034116183 /nfs/dbraw/zinc/11/61/83/1034116183.db2.gz RCCVWZCBFKYCNO-UHFFFAOYSA-N 1 2 347.462 3.620 20 30 EHEDLO CCc1cccc(C)c1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686353 1034116185 /nfs/dbraw/zinc/11/61/85/1034116185.db2.gz RCCVWZCBFKYCNO-UHFFFAOYSA-N 1 2 347.462 3.620 20 30 EHEDLO Cc1cc(Br)c(C[NH2+]C[C@H](C)C#N)cc1Br ZINC000529543541 1034149236 /nfs/dbraw/zinc/14/92/36/1034149236.db2.gz UQNGXFAVHMCSEX-MRVPVSSYSA-N 1 2 346.066 3.769 20 30 EHEDLO CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](Cc2ccccc2C#N)C1 ZINC000596606317 1034316264 /nfs/dbraw/zinc/31/62/64/1034316264.db2.gz VTEMMPIDXZPWCG-UHFFFAOYSA-N 1 2 348.381 3.521 20 30 EHEDLO O=C1c2cccc(Br)c2C/C1=C/c1c[nH+]c2ccccn12 ZINC000179616726 1034522538 /nfs/dbraw/zinc/52/25/38/1034522538.db2.gz FTIKRQQZPONJKU-FLIBITNWSA-N 1 2 339.192 3.919 20 30 EHEDLO N#Cc1csc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000356107355 1034581921 /nfs/dbraw/zinc/58/19/21/1034581921.db2.gz CTCAPAALYUGZGN-ZDUSSCGKSA-N 1 2 347.871 3.959 20 30 EHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)n1 ZINC000356107355 1034581935 /nfs/dbraw/zinc/58/19/35/1034581935.db2.gz CTCAPAALYUGZGN-ZDUSSCGKSA-N 1 2 347.871 3.959 20 30 EHEDLO C=C(Br)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230310588 1034862291 /nfs/dbraw/zinc/86/22/91/1034862291.db2.gz ZAYPFNDIHPRNGM-UHFFFAOYSA-N 1 2 340.993 3.726 20 30 EHEDLO N#Cc1ccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)cc1 ZINC000188566776 1034980396 /nfs/dbraw/zinc/98/03/96/1034980396.db2.gz FADMPPKSZMKJOP-UHFFFAOYSA-N 1 2 346.365 3.553 20 30 EHEDLO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C#N)cc2Br)C1 ZINC000534883219 1035744822 /nfs/dbraw/zinc/74/48/22/1035744822.db2.gz ANFWAAVOJHBZPL-QGZVFWFLSA-N 1 2 342.240 3.919 20 30 EHEDLO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(C#N)cc2Br)C1 ZINC000534883219 1035744840 /nfs/dbraw/zinc/74/48/40/1035744840.db2.gz ANFWAAVOJHBZPL-QGZVFWFLSA-N 1 2 342.240 3.919 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000539441327 1036757688 /nfs/dbraw/zinc/75/76/88/1036757688.db2.gz FURHFWBJMFFPIJ-AWEZNQCLSA-N 1 2 336.505 3.995 20 30 EHEDLO Cn1cc(C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000191381506 1036937594 /nfs/dbraw/zinc/93/75/94/1036937594.db2.gz RYRBXXGEHZDWLO-QGZVFWFLSA-N 1 2 331.872 3.840 20 30 EHEDLO Cn1cc(C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000191381506 1036937609 /nfs/dbraw/zinc/93/76/09/1036937609.db2.gz RYRBXXGEHZDWLO-QGZVFWFLSA-N 1 2 331.872 3.840 20 30 EHEDLO N#Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)nc2ccccc12 ZINC000542121243 1037097085 /nfs/dbraw/zinc/09/70/85/1037097085.db2.gz UXWIDYJAOGIQQE-UHFFFAOYSA-N 1 2 345.450 4.000 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000539839002 1037283932 /nfs/dbraw/zinc/28/39/32/1037283932.db2.gz DVGAPISPTGBGPB-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000539839002 1037283949 /nfs/dbraw/zinc/28/39/49/1037283949.db2.gz DVGAPISPTGBGPB-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO CC(C)([NH2+]Cc1ccc(C#N)cc1Br)c1nccs1 ZINC000181174979 1037448337 /nfs/dbraw/zinc/44/83/37/1037448337.db2.gz YQOYGYINBPWWIP-UHFFFAOYSA-N 1 2 336.258 3.802 20 30 EHEDLO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000592097190 1037833768 /nfs/dbraw/zinc/83/37/68/1037833768.db2.gz FYNCMETXCDTMRF-ZDUSSCGKSA-N 1 2 325.387 3.732 20 30 EHEDLO CC(N=Nc1nccnc1C1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905469335 1038913666 /nfs/dbraw/zinc/91/36/66/1038913666.db2.gz RJOBWEJAUQBQGV-UHFFFAOYSA-N 1 2 332.411 3.766 20 30 EHEDLO C=CCCC[N@@H+](C)Cc1c(Br)cccc1C(=O)OC ZINC000432816091 1039378195 /nfs/dbraw/zinc/37/81/95/1039378195.db2.gz MVPQMZOWHYCSIK-UHFFFAOYSA-N 1 2 326.234 3.634 20 30 EHEDLO C=CCCC[N@H+](C)Cc1c(Br)cccc1C(=O)OC ZINC000432816091 1039378204 /nfs/dbraw/zinc/37/82/04/1039378204.db2.gz MVPQMZOWHYCSIK-UHFFFAOYSA-N 1 2 326.234 3.634 20 30 EHEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C)c(C#N)c(C)c2)n1 ZINC000906376255 1039498035 /nfs/dbraw/zinc/49/80/35/1039498035.db2.gz UEDIFSHISNLLOJ-UHFFFAOYSA-N 1 2 342.468 3.726 20 30 EHEDLO C=CC[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000489017623 1039547051 /nfs/dbraw/zinc/54/70/51/1039547051.db2.gz SNTPYHLRMHHGIQ-FQEVSTJZSA-N 1 2 331.419 3.848 20 30 EHEDLO C=CC[N@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1cccs1 ZINC000027220297 1040071393 /nfs/dbraw/zinc/07/13/93/1040071393.db2.gz AFLLOYWOKLXQQZ-UHFFFAOYSA-N 1 2 340.492 3.584 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)Cc1cccs1 ZINC000027220297 1040071408 /nfs/dbraw/zinc/07/14/08/1040071408.db2.gz AFLLOYWOKLXQQZ-UHFFFAOYSA-N 1 2 340.492 3.584 20 30 EHEDLO C=CCC(CC=C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000150913922 1040166048 /nfs/dbraw/zinc/16/60/48/1040166048.db2.gz KFIYBQASTQOMOU-UHFFFAOYSA-N 1 2 341.499 3.606 20 30 EHEDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(F)ccc1C#N ZINC000158321569 1040194150 /nfs/dbraw/zinc/19/41/50/1040194150.db2.gz VOYVVHMQTATREB-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(F)ccc1C#N ZINC000158321569 1040194156 /nfs/dbraw/zinc/19/41/56/1040194156.db2.gz VOYVVHMQTATREB-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1ncc(Br)cn1 ZINC000411488518 1040902118 /nfs/dbraw/zinc/90/21/18/1040902118.db2.gz IOZKQVNZCUMCJL-GFCCVEGCSA-N 1 2 336.233 3.624 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)c1ncc(Br)cn1 ZINC000411488518 1040902134 /nfs/dbraw/zinc/90/21/34/1040902134.db2.gz IOZKQVNZCUMCJL-GFCCVEGCSA-N 1 2 336.233 3.624 20 30 EHEDLO Cc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)cc[nH+]1 ZINC000500313950 1041021047 /nfs/dbraw/zinc/02/10/47/1041021047.db2.gz XAQBXSIDAOJJDG-UHFFFAOYSA-N 1 2 343.386 3.923 20 30 EHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000500313359 1041026223 /nfs/dbraw/zinc/02/62/23/1041026223.db2.gz UYIIKKWXTMBORH-UHFFFAOYSA-N 1 2 336.313 3.648 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC1=CCSC1 ZINC000662271324 1042648226 /nfs/dbraw/zinc/64/82/26/1042648226.db2.gz YTZJUUSEZRDWGN-UHFFFAOYSA-N 1 2 334.510 3.508 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)CC1=CCSC1 ZINC000662271324 1042648230 /nfs/dbraw/zinc/64/82/30/1042648230.db2.gz YTZJUUSEZRDWGN-UHFFFAOYSA-N 1 2 334.510 3.508 20 30 EHEDLO Cc1ccc(-c2cc(CO[NH+]=C(N)c3ccc(F)cc3)on2)cc1 ZINC000106261741 1042950685 /nfs/dbraw/zinc/95/06/85/1042950685.db2.gz PUMZRRPHYWFBLB-UHFFFAOYSA-N 1 2 325.343 3.626 20 30 EHEDLO C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000344086335 1043225548 /nfs/dbraw/zinc/22/55/48/1043225548.db2.gz BSOSFVPFEKBROQ-LIRRHRJNSA-N 1 2 334.398 3.871 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000512203394 1044144518 /nfs/dbraw/zinc/14/45/18/1044144518.db2.gz OVEOUMJWYSUCSB-AWEZNQCLSA-N 1 2 330.384 3.819 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000512203394 1044144527 /nfs/dbraw/zinc/14/45/27/1044144527.db2.gz OVEOUMJWYSUCSB-AWEZNQCLSA-N 1 2 330.384 3.819 20 30 EHEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000344639497 1044228560 /nfs/dbraw/zinc/22/85/60/1044228560.db2.gz LMYQABXPMWWQJL-UHFFFAOYSA-N 1 2 344.484 3.808 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184984133 1126728793 /nfs/dbraw/zinc/72/87/93/1126728793.db2.gz XXJOVLMTMYVPNC-UONOGXRCSA-N 1 2 332.473 3.938 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184984133 1126728797 /nfs/dbraw/zinc/72/87/97/1126728797.db2.gz XXJOVLMTMYVPNC-UONOGXRCSA-N 1 2 332.473 3.938 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000183107586 1127363505 /nfs/dbraw/zinc/36/35/05/1127363505.db2.gz CWEUTWCNPVLFNI-MRXNPFEDSA-N 1 2 342.443 3.828 20 30 EHEDLO CC(=O)c1ccc(C#N)c(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000302099340 1128619657 /nfs/dbraw/zinc/61/96/57/1128619657.db2.gz KPUFWWONIQHRGH-UHFFFAOYSA-N 1 2 334.354 3.698 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000761760734 1120889360 /nfs/dbraw/zinc/88/93/60/1120889360.db2.gz LRYYPMOBQKRNPO-IBGZPJMESA-N 1 2 342.439 3.863 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000761760734 1120889364 /nfs/dbraw/zinc/88/93/64/1120889364.db2.gz LRYYPMOBQKRNPO-IBGZPJMESA-N 1 2 342.439 3.863 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000914569480 1120902877 /nfs/dbraw/zinc/90/28/77/1120902877.db2.gz VHQHRXKAHGJGJO-AWEZNQCLSA-N 1 2 345.516 3.986 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@@H](C)C(C)(C)C)c1=S ZINC000914569480 1120902880 /nfs/dbraw/zinc/90/28/80/1120902880.db2.gz VHQHRXKAHGJGJO-AWEZNQCLSA-N 1 2 345.516 3.986 20 30 EHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+](C)CC2CC2)c1=S ZINC000153571388 1121352712 /nfs/dbraw/zinc/35/27/12/1121352712.db2.gz MBXZLBNAJLCWSL-UHFFFAOYSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000153571388 1121352719 /nfs/dbraw/zinc/35/27/19/1121352719.db2.gz MBXZLBNAJLCWSL-UHFFFAOYSA-N 1 2 328.485 3.875 20 30 EHEDLO CC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1c(C)cccc1C ZINC000126470901 1122407892 /nfs/dbraw/zinc/40/78/92/1122407892.db2.gz ZJOWAGFGCKMLQD-UHFFFAOYSA-N 1 2 338.426 3.755 20 30 EHEDLO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1c(C)cccc1C ZINC000126470901 1122407894 /nfs/dbraw/zinc/40/78/94/1122407894.db2.gz ZJOWAGFGCKMLQD-UHFFFAOYSA-N 1 2 338.426 3.755 20 30 EHEDLO Cc1ccc(C)c(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000917025507 1122442837 /nfs/dbraw/zinc/44/28/37/1122442837.db2.gz LZXQNNRSUKQFHS-UHFFFAOYSA-N 1 2 349.463 3.810 20 30 EHEDLO CC[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000917103825 1122502283 /nfs/dbraw/zinc/50/22/83/1122502283.db2.gz RGDAUGBWUCKLTQ-ZIAGYGMSSA-N 1 2 327.453 3.595 20 30 EHEDLO CC[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000917103825 1122502285 /nfs/dbraw/zinc/50/22/85/1122502285.db2.gz RGDAUGBWUCKLTQ-ZIAGYGMSSA-N 1 2 327.453 3.595 20 30 EHEDLO CC[N@H+](Cc1nnc(-c2ccccc2)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000195514787 1123515697 /nfs/dbraw/zinc/51/56/97/1123515697.db2.gz GALCOXQMRMUZML-INIZCTEOSA-N 1 2 345.450 3.937 20 30 EHEDLO CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000195514787 1123515698 /nfs/dbraw/zinc/51/56/98/1123515698.db2.gz GALCOXQMRMUZML-INIZCTEOSA-N 1 2 345.450 3.937 20 30 EHEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCCCC#N ZINC000069010143 1124094275 /nfs/dbraw/zinc/09/42/75/1124094275.db2.gz WOOVBPCFCZWOCX-CQSZACIVSA-N 1 2 329.227 3.833 20 30 EHEDLO COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCCC#N ZINC000069010143 1124094280 /nfs/dbraw/zinc/09/42/80/1124094280.db2.gz WOOVBPCFCZWOCX-CQSZACIVSA-N 1 2 329.227 3.833 20 30 EHEDLO Cc1[nH]c(/C=C2\CCOc3c(Br)cccc3C2=O)[nH+]c1C ZINC000901474637 1124683515 /nfs/dbraw/zinc/68/35/15/1124683515.db2.gz UALVBGHRKYANCD-DHZHZOJOSA-N 1 2 347.212 3.838 20 30 EHEDLO CCCNc1ccc(C#N)cc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000081731596 1129440777 /nfs/dbraw/zinc/44/07/77/1129440777.db2.gz MXYBUNKFUUOHTF-UHFFFAOYSA-N 1 2 345.406 3.818 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(Br)o1 ZINC000124706396 1129627081 /nfs/dbraw/zinc/62/70/81/1129627081.db2.gz NBPPUKGLBNUKKI-UHFFFAOYSA-N 1 2 335.201 3.554 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000124706396 1129627083 /nfs/dbraw/zinc/62/70/83/1129627083.db2.gz NBPPUKGLBNUKKI-UHFFFAOYSA-N 1 2 335.201 3.554 20 30 EHEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000156040058 1129690071 /nfs/dbraw/zinc/69/00/71/1129690071.db2.gz NDKYPUNHTHFDBA-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000156040058 1129690073 /nfs/dbraw/zinc/69/00/73/1129690073.db2.gz NDKYPUNHTHFDBA-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000074046463 1129946064 /nfs/dbraw/zinc/94/60/64/1129946064.db2.gz KGJUIHGTACPFCD-OAHLLOKOSA-N 1 2 330.391 3.543 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000171274150 1130042045 /nfs/dbraw/zinc/04/20/45/1130042045.db2.gz GDHQOXIQUWKKOX-UHFFFAOYSA-N 1 2 340.427 3.660 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2nccs2)n1 ZINC000766071200 1130196830 /nfs/dbraw/zinc/19/68/30/1130196830.db2.gz XCTSGRHLJUJAGG-UHFFFAOYSA-N 1 2 335.436 3.524 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2nccs2)n1 ZINC000766071200 1130196832 /nfs/dbraw/zinc/19/68/32/1130196832.db2.gz XCTSGRHLJUJAGG-UHFFFAOYSA-N 1 2 335.436 3.524 20 30 EHEDLO Brc1cc(C=NNc2cc[nH+]c3ccccc23)cs1 ZINC000730147390 1130679470 /nfs/dbraw/zinc/67/94/70/1130679470.db2.gz DCSOCRPXPGRLHQ-UHFFFAOYSA-N 1 2 332.226 3.927 20 30 EHEDLO Fc1ccc(-c2n[nH]cc2C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147338 1130679514 /nfs/dbraw/zinc/67/95/14/1130679514.db2.gz BUJVSSREGVITLJ-UHFFFAOYSA-N 1 2 331.354 3.632 20 30 EHEDLO O=C1c2sc(-c3ccc(F)cc3)nc2CC/C1=C\c1[nH]cc[nH+]1 ZINC000731158826 1130773831 /nfs/dbraw/zinc/77/38/31/1130773831.db2.gz JVTDKTZFNHBYHA-PKNBQFBNSA-N 1 2 325.368 3.885 20 30 EHEDLO Oc1ccc(/C=[NH+]/CCCO[C@@H]2CCCc3ccccc32)c(O)c1O ZINC000733750241 1131075224 /nfs/dbraw/zinc/07/52/24/1131075224.db2.gz QTJDLKBTOLMXAK-KOMLCTQHSA-N 1 2 341.407 3.707 20 30 EHEDLO C[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000741790739 1131648459 /nfs/dbraw/zinc/64/84/59/1131648459.db2.gz LBQGNKZJGTZCRQ-MGPQQGTHSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)[C@@H]1C ZINC000741790739 1131648461 /nfs/dbraw/zinc/64/84/61/1131648461.db2.gz LBQGNKZJGTZCRQ-MGPQQGTHSA-N 1 2 327.453 3.593 20 30 EHEDLO C=CC[C@H]([NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F)C(=O)OC ZINC001172578495 1131792028 /nfs/dbraw/zinc/79/20/28/1131792028.db2.gz OMSCGUHVEVLZNB-BONVTDFDSA-N 1 2 331.790 3.647 20 30 EHEDLO CC(C)C[C@@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000745986663 1132344322 /nfs/dbraw/zinc/34/43/22/1132344322.db2.gz OFISYPLBJARVQV-GJZGRUSLSA-N 1 2 341.480 3.841 20 30 EHEDLO CC(C)C[C@@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000745986663 1132344330 /nfs/dbraw/zinc/34/43/30/1132344330.db2.gz OFISYPLBJARVQV-GJZGRUSLSA-N 1 2 341.480 3.841 20 30 EHEDLO N#Cc1cc(Nc2ccc(N3CCOCC3)[nH+]c2)cc(C(F)(F)F)c1 ZINC001174977699 1132511312 /nfs/dbraw/zinc/51/13/12/1132511312.db2.gz NOUORVUNFWUMJO-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO C[C@H]1C[C@H]([N@H+](CCC#N)Cc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001168842899 1132578350 /nfs/dbraw/zinc/57/83/50/1132578350.db2.gz BCMUWVMGLQGYKD-WMZOPIPTSA-N 1 2 343.471 3.800 20 30 EHEDLO C[C@H]1C[C@H]([N@@H+](CCC#N)Cc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001168842899 1132578354 /nfs/dbraw/zinc/57/83/54/1132578354.db2.gz BCMUWVMGLQGYKD-WMZOPIPTSA-N 1 2 343.471 3.800 20 30 EHEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000767048913 1132935222 /nfs/dbraw/zinc/93/52/22/1132935222.db2.gz YXYXUIJRYZFPEF-UHFFFAOYSA-N 1 2 326.484 3.504 20 30 EHEDLO N#C[C@H](COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000768803081 1133178954 /nfs/dbraw/zinc/17/89/54/1133178954.db2.gz AYZRTHJWIILPBK-RTWAWAEBSA-N 1 2 348.446 3.577 20 30 EHEDLO N#C[C@H](COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000768803081 1133178959 /nfs/dbraw/zinc/17/89/59/1133178959.db2.gz AYZRTHJWIILPBK-RTWAWAEBSA-N 1 2 348.446 3.577 20 30 EHEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000769978047 1133371209 /nfs/dbraw/zinc/37/12/09/1133371209.db2.gz ODZJYDNOYXMHNZ-HNNXBMFYSA-N 1 2 341.480 3.627 20 30 EHEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000769978047 1133371212 /nfs/dbraw/zinc/37/12/12/1133371212.db2.gz ODZJYDNOYXMHNZ-HNNXBMFYSA-N 1 2 341.480 3.627 20 30 EHEDLO C=CCSCC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001180561687 1133392260 /nfs/dbraw/zinc/39/22/60/1133392260.db2.gz UTCJSMBNVQJTAZ-AWEZNQCLSA-N 1 2 347.311 3.632 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000770381709 1133416626 /nfs/dbraw/zinc/41/66/26/1133416626.db2.gz AXIODARVHBXERX-NRFANRHFSA-N 1 2 334.419 3.697 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000770381709 1133416632 /nfs/dbraw/zinc/41/66/32/1133416632.db2.gz AXIODARVHBXERX-NRFANRHFSA-N 1 2 334.419 3.697 20 30 EHEDLO CCCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000770389577 1133421354 /nfs/dbraw/zinc/42/13/54/1133421354.db2.gz HTRPFUBVLZAVGE-NRFANRHFSA-N 1 2 336.435 3.921 20 30 EHEDLO CCCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000770389577 1133421357 /nfs/dbraw/zinc/42/13/57/1133421357.db2.gz HTRPFUBVLZAVGE-NRFANRHFSA-N 1 2 336.435 3.921 20 30 EHEDLO CCCCCCCCC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770663913 1133456402 /nfs/dbraw/zinc/45/64/02/1133456402.db2.gz FVYZFEOIYUJXOR-UHFFFAOYSA-N 1 2 333.476 3.916 20 30 EHEDLO N#CC1(C[NH2+]Cc2cc(Br)cnc2F)CCCCC1 ZINC001182929750 1133752884 /nfs/dbraw/zinc/75/28/84/1133752884.db2.gz INLKRJLTKVOTQV-UHFFFAOYSA-N 1 2 326.213 3.547 20 30 EHEDLO C[C@H]1CCCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183830088 1133862399 /nfs/dbraw/zinc/86/23/99/1133862399.db2.gz ZZIGADMPGRHOEU-FXAWDEMLSA-N 1 2 339.483 3.561 20 30 EHEDLO C[C@H]1CCCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183830088 1133862404 /nfs/dbraw/zinc/86/24/04/1133862404.db2.gz ZZIGADMPGRHOEU-FXAWDEMLSA-N 1 2 339.483 3.561 20 30 EHEDLO CC[C@H](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183838348 1133862986 /nfs/dbraw/zinc/86/29/86/1133862986.db2.gz FVNCYBJDECWQBA-ABSDTBQOSA-N 1 2 341.499 3.854 20 30 EHEDLO CC[C@H](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183838348 1133862992 /nfs/dbraw/zinc/86/29/92/1133862992.db2.gz FVNCYBJDECWQBA-ABSDTBQOSA-N 1 2 341.499 3.854 20 30 EHEDLO N#CC1(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CCCC1 ZINC000791276542 1134525531 /nfs/dbraw/zinc/52/55/31/1134525531.db2.gz ZIEZJSGFPRXSRQ-HNNXBMFYSA-N 1 2 340.471 3.515 20 30 EHEDLO N#CC1(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)CCCC1 ZINC000791276542 1134525538 /nfs/dbraw/zinc/52/55/38/1134525538.db2.gz ZIEZJSGFPRXSRQ-HNNXBMFYSA-N 1 2 340.471 3.515 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)Cc1ccccc1CC#N ZINC000791437631 1134550341 /nfs/dbraw/zinc/55/03/41/1134550341.db2.gz NOJOGZVJCFXNJH-UHFFFAOYSA-N 1 2 345.402 3.533 20 30 EHEDLO C=CCC1(S(=O)(=O)Nc2ccc([NH+]3CCCCCC3)cc2)CC1 ZINC001190806980 1134754233 /nfs/dbraw/zinc/75/42/33/1134754233.db2.gz ZANKAVLYHMMIGO-UHFFFAOYSA-N 1 2 334.485 3.917 20 30 EHEDLO CCCCCCCNC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001191104675 1134794131 /nfs/dbraw/zinc/79/41/31/1134794131.db2.gz MSICJVTUIVJJDL-UHFFFAOYSA-N 1 2 333.476 3.611 20 30 EHEDLO CCCCCCC[C@H](C)NC(=O)Nc1cc[nH+]c(N2CCOCC2)c1 ZINC001192919992 1135073186 /nfs/dbraw/zinc/07/31/86/1135073186.db2.gz NKFGEDUBJHIMHR-INIZCTEOSA-N 1 2 348.491 3.789 20 30 EHEDLO CCCCCCCCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804440146 1135077436 /nfs/dbraw/zinc/07/74/36/1135077436.db2.gz ULTHIFULBZQWMD-RBUKOAKNSA-N 1 2 338.536 3.839 20 30 EHEDLO C[C@@H](c1c(F)cccc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001197031181 1135643266 /nfs/dbraw/zinc/64/32/66/1135643266.db2.gz ILNHZIHDMXQQRL-AWEZNQCLSA-N 1 2 327.378 3.720 20 30 EHEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cc2cnccc2o1 ZINC001197229233 1135662065 /nfs/dbraw/zinc/66/20/65/1135662065.db2.gz CYQPKZGTKUGQFR-GFCCVEGCSA-N 1 2 345.362 3.600 20 30 EHEDLO COc1ccc2c(c1F)C/C(=C/c1cc(-n3cc[nH+]c3)cs1)C2=O ZINC000809158418 1135792622 /nfs/dbraw/zinc/79/26/22/1135792622.db2.gz YHSBOONLMJOQAJ-WDZFZDKYSA-N 1 2 340.379 3.904 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(Cl)cc1F ZINC000809700195 1135869265 /nfs/dbraw/zinc/86/92/65/1135869265.db2.gz ZZDNDNHZTWXVQZ-IBGZPJMESA-N 1 2 347.817 3.968 20 30 EHEDLO CCCCCC[C@H](CC)[NH2+][C@@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001170591240 1135904352 /nfs/dbraw/zinc/90/43/52/1135904352.db2.gz BAVHZHNMTJFJPC-OALUTQOASA-N 1 2 330.472 3.981 20 30 EHEDLO CC(=[NH+]Nc1cc(F)c(F)c(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000747642554 1136009497 /nfs/dbraw/zinc/00/94/97/1136009497.db2.gz QGJMCUOHZDDOFV-UHFFFAOYSA-N 1 2 349.356 3.777 20 30 EHEDLO CC(=[NH+]Nc1ccccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000812459668 1136211530 /nfs/dbraw/zinc/21/15/30/1136211530.db2.gz DTEBSEPAFFTTGZ-UHFFFAOYSA-N 1 2 331.366 3.638 20 30 EHEDLO Cc1cc(C)cc(-n2ncc(C[NH2+]C(C)(C)c3cccc(C#N)c3)n2)c1 ZINC000850357182 1136240594 /nfs/dbraw/zinc/24/05/94/1136240594.db2.gz ZXBQTHZOHULTEU-UHFFFAOYSA-N 1 2 345.450 3.781 20 30 EHEDLO N#Cc1c(F)cccc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000813336728 1136320373 /nfs/dbraw/zinc/32/03/73/1136320373.db2.gz SFHMRKCOQWSCEJ-HXUWFJFHSA-N 1 2 342.389 3.782 20 30 EHEDLO C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000851207934 1136351385 /nfs/dbraw/zinc/35/13/85/1136351385.db2.gz KAKBGHPSBZKYIZ-RHSMWYFYSA-N 1 2 332.419 3.662 20 30 EHEDLO C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000851207934 1136351388 /nfs/dbraw/zinc/35/13/88/1136351388.db2.gz KAKBGHPSBZKYIZ-RHSMWYFYSA-N 1 2 332.419 3.662 20 30 EHEDLO C[N@H+](CC(F)F)C1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000851848275 1136413373 /nfs/dbraw/zinc/41/33/73/1136413373.db2.gz HHKLVLBJAQGKAD-HNNXBMFYSA-N 1 2 327.806 3.566 20 30 EHEDLO C[N@@H+](CC(F)F)C1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000851848275 1136413375 /nfs/dbraw/zinc/41/33/75/1136413375.db2.gz HHKLVLBJAQGKAD-HNNXBMFYSA-N 1 2 327.806 3.566 20 30 EHEDLO CCc1cccc(OCC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852326057 1136448914 /nfs/dbraw/zinc/44/89/14/1136448914.db2.gz KNYGBRDLYVXVOH-NRFANRHFSA-N 1 2 335.451 3.580 20 30 EHEDLO CCc1cccc(OCC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852326057 1136448916 /nfs/dbraw/zinc/44/89/16/1136448916.db2.gz KNYGBRDLYVXVOH-NRFANRHFSA-N 1 2 335.451 3.580 20 30 EHEDLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852699855 1136479355 /nfs/dbraw/zinc/47/93/55/1136479355.db2.gz DVWWJGVTPGNIBC-DKUMPPAJSA-N 1 2 339.464 3.735 20 30 EHEDLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852699855 1136479357 /nfs/dbraw/zinc/47/93/57/1136479357.db2.gz DVWWJGVTPGNIBC-DKUMPPAJSA-N 1 2 339.464 3.735 20 30 EHEDLO OC1CCN(c2ccc(C=[NH+]Nc3ccccc3Cl)cc2)CC1 ZINC000853257341 1136522495 /nfs/dbraw/zinc/52/24/95/1136522495.db2.gz VQOGNEOVIHSENJ-UHFFFAOYSA-N 1 2 329.831 3.747 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000853528696 1136541621 /nfs/dbraw/zinc/54/16/21/1136541621.db2.gz VJLGFQJXRLPKNA-QGZVFWFLSA-N 1 2 338.455 3.621 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)C1 ZINC000853536972 1136542375 /nfs/dbraw/zinc/54/23/75/1136542375.db2.gz LLFLIFQIXGATEP-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccn3)n(CC)c2=S)C1 ZINC000853536972 1136542379 /nfs/dbraw/zinc/54/23/79/1136542379.db2.gz LLFLIFQIXGATEP-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627453 1136550287 /nfs/dbraw/zinc/55/02/87/1136550287.db2.gz VQRHLYYBMZFOHE-HNNXBMFYSA-N 1 2 343.500 3.597 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)C[C@@H]2CC2(C)C)c1=S ZINC000853627453 1136550289 /nfs/dbraw/zinc/55/02/89/1136550289.db2.gz VQRHLYYBMZFOHE-HNNXBMFYSA-N 1 2 343.500 3.597 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(C(F)(F)F)n1 ZINC000853653050 1136553020 /nfs/dbraw/zinc/55/30/20/1136553020.db2.gz FCUXLEOFVMXBFC-UHFFFAOYSA-N 1 2 335.329 3.900 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000815148192 1136563003 /nfs/dbraw/zinc/56/30/03/1136563003.db2.gz OHWJNJCCLJEIQI-INIZCTEOSA-N 1 2 326.362 3.799 20 30 EHEDLO Cc1cc(C#N)ccc1C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000815148192 1136563005 /nfs/dbraw/zinc/56/30/05/1136563005.db2.gz OHWJNJCCLJEIQI-INIZCTEOSA-N 1 2 326.362 3.799 20 30 EHEDLO CCc1ccc(C#CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000816051835 1136667607 /nfs/dbraw/zinc/66/76/07/1136667607.db2.gz HYWXPNNZYPBWND-UHFFFAOYSA-N 1 2 349.478 3.516 20 30 EHEDLO Clc1cc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc(Cl)n1 ZINC000819828513 1136963589 /nfs/dbraw/zinc/96/35/89/1136963589.db2.gz GJBJYZVBOZQTKX-UHFFFAOYSA-N 1 2 336.226 3.830 20 30 EHEDLO CC[N@H+](C)[C@@H](C(=O)OCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000777144424 1137067053 /nfs/dbraw/zinc/06/70/53/1137067053.db2.gz WCWRHSYVPBCORU-HXUWFJFHSA-N 1 2 348.446 3.978 20 30 EHEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000777144424 1137067054 /nfs/dbraw/zinc/06/70/54/1137067054.db2.gz WCWRHSYVPBCORU-HXUWFJFHSA-N 1 2 348.446 3.978 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143732952 1137193156 /nfs/dbraw/zinc/19/31/56/1137193156.db2.gz ZEMHMZIYBCRPDW-CYBMUJFWSA-N 1 2 334.847 3.765 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143732952 1137193158 /nfs/dbraw/zinc/19/31/58/1137193158.db2.gz ZEMHMZIYBCRPDW-CYBMUJFWSA-N 1 2 334.847 3.765 20 30 EHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724588 1137194193 /nfs/dbraw/zinc/19/41/93/1137194193.db2.gz YIEIVBAOAIQLHN-APWZRJJASA-N 1 2 346.858 3.538 20 30 EHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724588 1137194194 /nfs/dbraw/zinc/19/41/94/1137194194.db2.gz YIEIVBAOAIQLHN-APWZRJJASA-N 1 2 346.858 3.538 20 30 EHEDLO CCCc1noc(C2CC[NH+](Cc3c(Cl)cccc3C#N)CC2)n1 ZINC001143730862 1137194655 /nfs/dbraw/zinc/19/46/55/1137194655.db2.gz CSOTYXYLZYERAL-UHFFFAOYSA-N 1 2 344.846 3.927 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844476550 1137227615 /nfs/dbraw/zinc/22/76/15/1137227615.db2.gz GIRBVCAIKVRCRE-HNNXBMFYSA-N 1 2 341.455 3.521 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844476550 1137227616 /nfs/dbraw/zinc/22/76/16/1137227616.db2.gz GIRBVCAIKVRCRE-HNNXBMFYSA-N 1 2 341.455 3.521 20 30 EHEDLO N#Cc1cncc(C[NH+]2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001144083651 1137237492 /nfs/dbraw/zinc/23/74/92/1137237492.db2.gz MNIQPNVUWAZSHT-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO Cc1nc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)sc1C ZINC001144377669 1137280898 /nfs/dbraw/zinc/28/08/98/1137280898.db2.gz DKPBZECMHKUYHG-UHFFFAOYSA-N 1 2 329.444 3.956 20 30 EHEDLO N#Cc1ccccc1OC1CC[NH+](Cc2cc(F)c(O)cc2F)CC1 ZINC001144657836 1137323641 /nfs/dbraw/zinc/32/36/41/1137323641.db2.gz KEZGGMNWXMWVLU-UHFFFAOYSA-N 1 2 344.361 3.585 20 30 EHEDLO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866242941 1137338451 /nfs/dbraw/zinc/33/84/51/1137338451.db2.gz PJCGPNRPLDVVSL-CABCVRRESA-N 1 2 339.414 3.580 20 30 EHEDLO O=C1c2cn(-c3ccccc3)nc2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000794959134 1137379768 /nfs/dbraw/zinc/37/97/68/1137379768.db2.gz XGIZGBBFLIGGIM-FYWRMAATSA-N 1 2 340.386 3.733 20 30 EHEDLO C#C[C@H]1CCC[N@@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000847021957 1137382986 /nfs/dbraw/zinc/38/29/86/1137382986.db2.gz DFVFOLJOXYOKQQ-HNNXBMFYSA-N 1 2 342.464 3.576 20 30 EHEDLO C#C[C@H]1CCC[N@H+](Cc2csc(COc3ccc(OC)cc3)n2)C1 ZINC000847021957 1137382988 /nfs/dbraw/zinc/38/29/88/1137382988.db2.gz DFVFOLJOXYOKQQ-HNNXBMFYSA-N 1 2 342.464 3.576 20 30 EHEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171339259 1137435909 /nfs/dbraw/zinc/43/59/09/1137435909.db2.gz DKDUUFTZTHCDBI-YJBOKZPZSA-N 1 2 337.410 3.556 20 30 EHEDLO C=CC1CC[NH+]([C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000348165430 1137447865 /nfs/dbraw/zinc/44/78/65/1137447865.db2.gz IUUKWVXXCJIRFG-CYBMUJFWSA-N 1 2 340.423 3.860 20 30 EHEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171533354 1137493936 /nfs/dbraw/zinc/49/39/36/1137493936.db2.gz LJHFJOVKZDWXDM-OAHLLOKOSA-N 1 2 345.368 3.772 20 30 EHEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171533354 1137493937 /nfs/dbraw/zinc/49/39/37/1137493937.db2.gz LJHFJOVKZDWXDM-OAHLLOKOSA-N 1 2 345.368 3.772 20 30 EHEDLO C=C(Br)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001171707411 1137505582 /nfs/dbraw/zinc/50/55/82/1137505582.db2.gz PSFNBNVPCJEPPW-CQSZACIVSA-N 1 2 330.653 3.532 20 30 EHEDLO C=C(Br)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001171707411 1137505583 /nfs/dbraw/zinc/50/55/83/1137505583.db2.gz PSFNBNVPCJEPPW-CQSZACIVSA-N 1 2 330.653 3.532 20 30 EHEDLO CCCCn1c(SCc2ccc(C#N)o2)nnc1[C@@H](CC)[NH+](C)C ZINC000871628281 1137549912 /nfs/dbraw/zinc/54/99/12/1137549912.db2.gz SIUSTFPACIOTHE-OAHLLOKOSA-N 1 2 347.488 3.848 20 30 EHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172328147 1137550466 /nfs/dbraw/zinc/55/04/66/1137550466.db2.gz OLAMIENVLWTBBT-AOIWGVFYSA-N 1 2 333.472 3.510 20 30 EHEDLO CSc1nnc(SC)n1[NH+]=C[C@@H](C)c1cc(F)cc(F)c1 ZINC000872418071 1137579805 /nfs/dbraw/zinc/57/98/05/1137579805.db2.gz ZXEHXTKKBOMOIM-MRVPVSSYSA-N 1 2 328.413 3.638 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000876657010 1137658290 /nfs/dbraw/zinc/65/82/90/1137658290.db2.gz BJHMQACISDHXIC-UHFFFAOYSA-N 1 2 333.863 3.920 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000876686341 1137659102 /nfs/dbraw/zinc/65/91/02/1137659102.db2.gz VJKULHYNZPEUKO-HNNXBMFYSA-N 1 2 341.798 3.672 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000876686341 1137659103 /nfs/dbraw/zinc/65/91/03/1137659103.db2.gz VJKULHYNZPEUKO-HNNXBMFYSA-N 1 2 341.798 3.672 20 30 EHEDLO N#Cc1ccc(C[NH2+]C2(c3ncccn3)CCC2)c(C(F)(F)F)c1 ZINC000880368242 1137776616 /nfs/dbraw/zinc/77/66/16/1137776616.db2.gz UBYPQURCDHKYJD-UHFFFAOYSA-N 1 2 332.329 3.536 20 30 EHEDLO C=CCCC[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000883143234 1137846209 /nfs/dbraw/zinc/84/62/09/1137846209.db2.gz FILDLLOFMQITOJ-FUHWJXTLSA-N 1 2 326.444 3.668 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111749726 1137905399 /nfs/dbraw/zinc/90/53/99/1137905399.db2.gz ZFQTUBACPXEPKX-UHFFFAOYSA-N 1 2 340.427 3.707 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)c(C#N)c1C ZINC000044438891 1138040017 /nfs/dbraw/zinc/04/00/17/1138040017.db2.gz JVHZRYCGUMJELF-NSHDSACASA-N 1 2 347.365 3.505 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)c(C#N)c1C ZINC000044438891 1138040019 /nfs/dbraw/zinc/04/00/19/1138040019.db2.gz JVHZRYCGUMJELF-NSHDSACASA-N 1 2 347.365 3.505 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1scnc1C ZINC000066564317 1138076336 /nfs/dbraw/zinc/07/63/36/1138076336.db2.gz HBWJRZDTKNAJPJ-CQSZACIVSA-N 1 2 349.525 3.548 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1scnc1C ZINC000066564317 1138076337 /nfs/dbraw/zinc/07/63/37/1138076337.db2.gz HBWJRZDTKNAJPJ-CQSZACIVSA-N 1 2 349.525 3.548 20 30 EHEDLO C[C@H](c1ccco1)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000086233802 1138186431 /nfs/dbraw/zinc/18/64/31/1138186431.db2.gz HOPHMDLXDONXDW-GFCCVEGCSA-N 1 2 343.814 3.969 20 30 EHEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000086233802 1138186434 /nfs/dbraw/zinc/18/64/34/1138186434.db2.gz HOPHMDLXDONXDW-GFCCVEGCSA-N 1 2 343.814 3.969 20 30 EHEDLO Cc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(C)c1 ZINC001202739885 1138254158 /nfs/dbraw/zinc/25/41/58/1138254158.db2.gz YPZXUEBFWWXDBF-UHFFFAOYSA-N 1 2 340.452 3.869 20 30 EHEDLO Cc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(C)c1 ZINC001202739885 1138254159 /nfs/dbraw/zinc/25/41/59/1138254159.db2.gz YPZXUEBFWWXDBF-UHFFFAOYSA-N 1 2 340.452 3.869 20 30 EHEDLO CC(C)([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nccs1 ZINC000122130862 1138254585 /nfs/dbraw/zinc/25/45/85/1138254585.db2.gz PTCZAYLYFPJRTQ-UHFFFAOYSA-N 1 2 340.370 3.918 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000890243716 1139329167 /nfs/dbraw/zinc/32/91/67/1139329167.db2.gz SFPFZDXKRSZWJA-OTWHNJEPSA-N 1 2 336.439 3.517 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cncc(Br)c1 ZINC000184289829 1140093048 /nfs/dbraw/zinc/09/30/48/1140093048.db2.gz AVTDZYLQRGMHCI-UHFFFAOYSA-N 1 2 347.216 3.534 20 30 EHEDLO COC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000184612478 1140111747 /nfs/dbraw/zinc/11/17/47/1140111747.db2.gz GZMKBMWEWCEABC-OAHLLOKOSA-N 1 2 339.313 3.507 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186962003 1140230627 /nfs/dbraw/zinc/23/06/27/1140230627.db2.gz HOPIVKPQSHBYSW-OAHLLOKOSA-N 1 2 343.496 3.895 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC2(CC2)C1 ZINC000186962003 1140230630 /nfs/dbraw/zinc/23/06/30/1140230630.db2.gz HOPIVKPQSHBYSW-OAHLLOKOSA-N 1 2 343.496 3.895 20 30 EHEDLO O=C1c2cc(C(F)(F)F)cnc2CC/C1=C\c1cccc2[nH+]ccn21 ZINC000777469911 1140437489 /nfs/dbraw/zinc/43/74/89/1140437489.db2.gz PJHGSNNSUAXUSS-DHZHZOJOSA-N 1 2 343.308 3.961 20 30 EHEDLO CC1=CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000270350995 1141210545 /nfs/dbraw/zinc/21/05/45/1141210545.db2.gz PVUYVPDTZCZSMI-HNNXBMFYSA-N 1 2 329.469 3.671 20 30 EHEDLO CC1=CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000270350995 1141210548 /nfs/dbraw/zinc/21/05/48/1141210548.db2.gz PVUYVPDTZCZSMI-HNNXBMFYSA-N 1 2 329.469 3.671 20 30 EHEDLO Cc1cccn2cc(COc3ccc(C[N@@H+](C)C[C@@H](C)C#N)cc3)nc12 ZINC000271145928 1141314286 /nfs/dbraw/zinc/31/42/86/1141314286.db2.gz YFNXSIRXAQAMMI-INIZCTEOSA-N 1 2 348.450 3.813 20 30 EHEDLO Cc1cccn2cc(COc3ccc(C[N@H+](C)C[C@@H](C)C#N)cc3)nc12 ZINC000271145928 1141314292 /nfs/dbraw/zinc/31/42/92/1141314292.db2.gz YFNXSIRXAQAMMI-INIZCTEOSA-N 1 2 348.450 3.813 20 30 EHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000097941246 219061634 /nfs/dbraw/zinc/06/16/34/219061634.db2.gz VBHWTRPPXVWFCH-GOSISDBHSA-N 1 2 329.407 3.680 20 30 EHEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000097941246 219061638 /nfs/dbraw/zinc/06/16/38/219061638.db2.gz VBHWTRPPXVWFCH-GOSISDBHSA-N 1 2 329.407 3.680 20 30 EHEDLO C=CCn1c(SCc2[nH+]cc(C)c(OC)c2C)nnc1C1CC1 ZINC000078708799 217106117 /nfs/dbraw/zinc/10/61/17/217106117.db2.gz VOLYBJXTGPSQDT-UHFFFAOYSA-N 1 2 330.457 3.654 20 30 EHEDLO COc1ccc(C#N)cc1CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000328622527 564136997 /nfs/dbraw/zinc/13/69/97/564136997.db2.gz BHFFDXUPDRGKPT-GOSISDBHSA-N 1 2 336.439 3.506 20 30 EHEDLO C=C(C)[C@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)OCC ZINC000339398181 1014338485 /nfs/dbraw/zinc/33/84/85/1014338485.db2.gz BWHGZXFSTGZEGL-INIZCTEOSA-N 1 2 333.819 3.836 20 30 EHEDLO N#Cc1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000157671080 1015191616 /nfs/dbraw/zinc/19/16/16/1015191616.db2.gz FILVBTFECQREQH-CYBMUJFWSA-N 1 2 332.329 3.663 20 30 EHEDLO COc1ccc([C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)c2nccn2C)cc1 ZINC000181452325 1016692145 /nfs/dbraw/zinc/69/21/45/1016692145.db2.gz YAHHHSAXAAHVAZ-FOIQADDNSA-N 1 2 346.434 3.741 20 30 EHEDLO CC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000459476630 1032189152 /nfs/dbraw/zinc/18/91/52/1032189152.db2.gz RPMPBNUUNBYUHA-KRWDZBQOSA-N 1 2 325.368 3.716 20 30 EHEDLO C=CCC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCC1 ZINC000449254374 1032360544 /nfs/dbraw/zinc/36/05/44/1032360544.db2.gz YAULSNGTOXEGNR-UHFFFAOYSA-N 1 2 337.467 3.727 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000537177306 1032548829 /nfs/dbraw/zinc/54/88/29/1032548829.db2.gz YGHHPYVDIVZXIG-PRXAMGSTSA-N 1 2 339.842 3.573 20 30 EHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377068856 1017301168 /nfs/dbraw/zinc/30/11/68/1017301168.db2.gz UEWPNBXZVLRECY-GFCCVEGCSA-N 1 2 335.860 3.759 20 30 EHEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610276281 1017304567 /nfs/dbraw/zinc/30/45/67/1017304567.db2.gz IBJBKFFNOOBLES-OAHLLOKOSA-N 1 2 337.814 3.798 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177185103 1017593016 /nfs/dbraw/zinc/59/30/16/1017593016.db2.gz JOCYZZFMROMEPS-HOTGVXAUSA-N 1 2 349.887 3.510 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177185103 1017593028 /nfs/dbraw/zinc/59/30/28/1017593028.db2.gz JOCYZZFMROMEPS-HOTGVXAUSA-N 1 2 349.887 3.510 20 30 EHEDLO N#CCCC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000584527289 1017730072 /nfs/dbraw/zinc/73/00/72/1017730072.db2.gz CGLYHIZNLASRMJ-UHFFFAOYSA-N 1 2 332.354 3.531 20 30 EHEDLO C#Cc1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000377700340 1018212208 /nfs/dbraw/zinc/21/22/08/1018212208.db2.gz NDDTZBLOYSXTCV-FQEVSTJZSA-N 1 2 335.838 3.934 20 30 EHEDLO Cc1cc(-c2nnc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)o2)c(C)o1 ZINC000340684046 1032776925 /nfs/dbraw/zinc/77/69/25/1032776925.db2.gz PLKUMXBSYZFPGO-UHFFFAOYSA-N 1 2 348.406 3.983 20 30 EHEDLO Cc1cc(-c2nnc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)o2)c(C)o1 ZINC000340684046 1032776932 /nfs/dbraw/zinc/77/69/32/1032776932.db2.gz PLKUMXBSYZFPGO-UHFFFAOYSA-N 1 2 348.406 3.983 20 30 EHEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328724172 1019283697 /nfs/dbraw/zinc/28/36/97/1019283697.db2.gz YKHPGGGAWXOHNY-BHYGNILZSA-N 1 2 330.476 3.862 20 30 EHEDLO Cc1nc2[nH]ccc2c(NC2CCC(Oc3ccccc3C#N)CC2)[nH+]1 ZINC000433784333 1019610292 /nfs/dbraw/zinc/61/02/92/1019610292.db2.gz CMQQHADJEIFIFD-UHFFFAOYSA-N 1 2 347.422 3.940 20 30 EHEDLO C[C@H](c1ccccc1Br)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602441322 1032890334 /nfs/dbraw/zinc/89/03/34/1032890334.db2.gz ZCWAHOGWUHGEMS-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@H](c1ccccc1Br)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602441322 1032890340 /nfs/dbraw/zinc/89/03/40/1032890340.db2.gz ZCWAHOGWUHGEMS-GFCCVEGCSA-N 1 2 330.229 3.909 20 30 EHEDLO COc1cc(C(=O)/C=C\c2cccc3[nH+]ccn32)ccc1OC(F)F ZINC000255338308 1021290921 /nfs/dbraw/zinc/29/09/21/1021290921.db2.gz IQSBLAZGOIRZMT-SREVYHEPSA-N 1 2 344.317 3.840 20 30 EHEDLO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1nnc2ccccn21 ZINC000439437603 1021436106 /nfs/dbraw/zinc/43/61/06/1021436106.db2.gz KAWBXZYEIXNYSJ-MRXNPFEDSA-N 1 2 339.830 3.885 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnn(C(C)C)c1)c1ccc(Br)cc1 ZINC000894871447 1021547912 /nfs/dbraw/zinc/54/79/12/1021547912.db2.gz UVBUBARQFYYZEM-INIZCTEOSA-N 1 2 332.245 3.691 20 30 EHEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000602594594 1032990506 /nfs/dbraw/zinc/99/05/06/1032990506.db2.gz RMTDOKDDRBPTAE-MRXNPFEDSA-N 1 2 328.460 3.583 20 30 EHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000134624607 1021697488 /nfs/dbraw/zinc/69/74/88/1021697488.db2.gz YOYFQXCRGCWXJV-SUMWQHHRSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC000134624607 1021697490 /nfs/dbraw/zinc/69/74/90/1021697490.db2.gz YOYFQXCRGCWXJV-SUMWQHHRSA-N 1 2 347.434 3.575 20 30 EHEDLO COc1cc(Cl)c(C[N@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000897624819 1033008826 /nfs/dbraw/zinc/00/88/26/1033008826.db2.gz ZKNSSUSIENNSQV-UHFFFAOYSA-N 1 2 336.844 3.922 20 30 EHEDLO COc1cc(Cl)c(C[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000897624819 1033008837 /nfs/dbraw/zinc/00/88/37/1033008837.db2.gz ZKNSSUSIENNSQV-UHFFFAOYSA-N 1 2 336.844 3.922 20 30 EHEDLO N#Cc1cc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)cs1 ZINC000891531173 1021852672 /nfs/dbraw/zinc/85/26/72/1021852672.db2.gz CBAXSHASCIIVJG-UHFFFAOYSA-N 1 2 338.436 3.512 20 30 EHEDLO C=CC[C@H](CC)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000341435271 1021887443 /nfs/dbraw/zinc/88/74/43/1021887443.db2.gz REMNDIOILVGVIO-QXAKKESOSA-N 1 2 338.455 3.766 20 30 EHEDLO COc1cccc(C[N@H+](C)Cc2cc(C#N)cs2)c1OC(F)F ZINC000897625124 1033013973 /nfs/dbraw/zinc/01/39/73/1033013973.db2.gz DXUAZXBMNUSHAT-UHFFFAOYSA-N 1 2 338.379 3.862 20 30 EHEDLO COc1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1OC(F)F ZINC000897625124 1033013982 /nfs/dbraw/zinc/01/39/82/1033013982.db2.gz DXUAZXBMNUSHAT-UHFFFAOYSA-N 1 2 338.379 3.862 20 30 EHEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCc3sccc3[C@H]1C)CCC2 ZINC000328657495 1022456287 /nfs/dbraw/zinc/45/62/87/1022456287.db2.gz PCMOGDCPTKKBQK-KGLIPLIRSA-N 1 2 344.484 3.664 20 30 EHEDLO C=CC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307806 1022474636 /nfs/dbraw/zinc/47/46/36/1022474636.db2.gz ILBJJCLKMHEVMX-AWEZNQCLSA-N 1 2 348.244 3.746 20 30 EHEDLO C=CC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307806 1022474646 /nfs/dbraw/zinc/47/46/46/1022474646.db2.gz ILBJJCLKMHEVMX-AWEZNQCLSA-N 1 2 348.244 3.746 20 30 EHEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000328866406 1022521091 /nfs/dbraw/zinc/52/10/91/1022521091.db2.gz BXUQSFMAAWFKLU-MRXNPFEDSA-N 1 2 338.455 3.803 20 30 EHEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccccc2)C1 ZINC000328866406 1022521093 /nfs/dbraw/zinc/52/10/93/1022521093.db2.gz BXUQSFMAAWFKLU-MRXNPFEDSA-N 1 2 338.455 3.803 20 30 EHEDLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)o1 ZINC000328868252 1022523212 /nfs/dbraw/zinc/52/32/12/1022523212.db2.gz CLUAXBFOKOHEFE-CQSZACIVSA-N 1 2 328.416 3.693 20 30 EHEDLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)o1 ZINC000328868252 1022523227 /nfs/dbraw/zinc/52/32/27/1022523227.db2.gz CLUAXBFOKOHEFE-CQSZACIVSA-N 1 2 328.416 3.693 20 30 EHEDLO O=C(N[C@@H]1CCOc2c(Cl)cccc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000328948171 1022540540 /nfs/dbraw/zinc/54/05/40/1022540540.db2.gz KMCBECZZKNMZQB-XHDPSFHLSA-N 1 2 331.803 3.579 20 30 EHEDLO C[C@@H]1C[C@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC1=O ZINC000328920640 1022545218 /nfs/dbraw/zinc/54/52/18/1022545218.db2.gz LYBYKYHMFAGDNW-CHWSQXEVSA-N 1 2 335.473 3.722 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051335086 1022552170 /nfs/dbraw/zinc/55/21/70/1022552170.db2.gz WBFYPQMXNHNDAV-UHFFFAOYSA-N 1 2 345.468 3.666 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(Br)cc1 ZINC000894669513 1022684933 /nfs/dbraw/zinc/68/49/33/1022684933.db2.gz UPMMPHASJQPAMO-QGZVFWFLSA-N 1 2 344.256 3.835 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1cc(Cl)ccc1Cl ZINC000330868233 1022689407 /nfs/dbraw/zinc/68/94/07/1022689407.db2.gz YKKWAKVMFZAXNQ-OPQQBVKSSA-N 1 2 326.227 3.602 20 30 EHEDLO N#Cc1csc(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)n1 ZINC000449721068 1033105824 /nfs/dbraw/zinc/10/58/24/1033105824.db2.gz BQMVQSKYGHVMQF-UHFFFAOYSA-N 1 2 333.407 3.748 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1cccs1 ZINC000510779317 1023158037 /nfs/dbraw/zinc/15/80/37/1023158037.db2.gz OOHKDHRBHUPSOR-SJLPKXTDSA-N 1 2 332.513 3.917 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1cccs1 ZINC000510779317 1023158043 /nfs/dbraw/zinc/15/80/43/1023158043.db2.gz OOHKDHRBHUPSOR-SJLPKXTDSA-N 1 2 332.513 3.917 20 30 EHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(F)c1 ZINC000507180114 1023166458 /nfs/dbraw/zinc/16/64/58/1023166458.db2.gz MJCFYWZRAUDGDY-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO C=CCCCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000077274559 1023167487 /nfs/dbraw/zinc/16/74/87/1023167487.db2.gz DDFCEQQPSQTYDT-IRXDYDNUSA-N 1 2 345.487 3.726 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C#N)CC1 ZINC000057878069 1023297932 /nfs/dbraw/zinc/29/79/32/1023297932.db2.gz OJOHNJKFHPDNFV-JTQLQIEISA-N 1 2 326.227 3.556 20 30 EHEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2cc(Cl)ccc2Cl)C1=O ZINC000410334661 1023322654 /nfs/dbraw/zinc/32/26/54/1023322654.db2.gz GXBRLQOAMWOFGI-IAQYHMDHSA-N 1 2 327.255 3.773 20 30 EHEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2cc(Cl)ccc2Cl)C1=O ZINC000410334661 1023322660 /nfs/dbraw/zinc/32/26/60/1023322660.db2.gz GXBRLQOAMWOFGI-IAQYHMDHSA-N 1 2 327.255 3.773 20 30 EHEDLO CSCC[C@@H](C)[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091073002 1023716945 /nfs/dbraw/zinc/71/69/45/1023716945.db2.gz IAICSFRLIYSFIP-CQSZACIVSA-N 1 2 328.485 3.626 20 30 EHEDLO CSCC[C@@H](C)[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091073002 1023716954 /nfs/dbraw/zinc/71/69/54/1023716954.db2.gz IAICSFRLIYSFIP-CQSZACIVSA-N 1 2 328.485 3.626 20 30 EHEDLO Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H](c3[nH+]ccn3C)C1)CCC2 ZINC000329700506 1024103060 /nfs/dbraw/zinc/10/30/60/1024103060.db2.gz GUYLAAWSHGWOLA-WMZOPIPTSA-N 1 2 338.455 3.509 20 30 EHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)[C@@H]1C ZINC000329793089 1024198353 /nfs/dbraw/zinc/19/83/53/1024198353.db2.gz VMEWCGBQVXBRBM-VDERGJSUSA-N 1 2 338.883 3.565 20 30 EHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)[C@@H]1C ZINC000329793089 1024198356 /nfs/dbraw/zinc/19/83/56/1024198356.db2.gz VMEWCGBQVXBRBM-VDERGJSUSA-N 1 2 338.883 3.565 20 30 EHEDLO O=C1C=COC2(CCN(c3cc[nH+]c4c(Cl)cccc34)CC2)C1 ZINC000896882354 1024265082 /nfs/dbraw/zinc/26/50/82/1024265082.db2.gz PBPMKBMBJOAODT-UHFFFAOYSA-N 1 2 328.799 3.730 20 30 EHEDLO NC(=[NH+]OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 ZINC000071852497 1024518236 /nfs/dbraw/zinc/51/82/36/1024518236.db2.gz KMYBMVJDVFTQGA-UHFFFAOYSA-N 1 2 345.761 3.971 20 30 EHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000342289068 1024733145 /nfs/dbraw/zinc/73/31/45/1024733145.db2.gz BHNILTAQASQWKJ-GOSISDBHSA-N 1 2 342.393 3.505 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1[C@H]1CCCO1 ZINC000514764586 1024737410 /nfs/dbraw/zinc/73/74/10/1024737410.db2.gz UTWZMIZGIUMFBF-CVEARBPZSA-N 1 2 338.373 3.966 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1[C@H]1CCCO1 ZINC000514764586 1024737423 /nfs/dbraw/zinc/73/74/23/1024737423.db2.gz UTWZMIZGIUMFBF-CVEARBPZSA-N 1 2 338.373 3.966 20 30 EHEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000780533865 1024796311 /nfs/dbraw/zinc/79/63/11/1024796311.db2.gz GCFXMDSZVYGTPI-UHFFFAOYSA-N 1 2 332.513 3.538 20 30 EHEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1C#N ZINC000435688126 1025068318 /nfs/dbraw/zinc/06/83/18/1025068318.db2.gz MFGHMENLGMRONR-IBGZPJMESA-N 1 2 349.434 3.558 20 30 EHEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1C#N ZINC000435688126 1025068331 /nfs/dbraw/zinc/06/83/31/1025068331.db2.gz MFGHMENLGMRONR-IBGZPJMESA-N 1 2 349.434 3.558 20 30 EHEDLO Fc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(F)c1F ZINC000896223935 1025246206 /nfs/dbraw/zinc/24/62/06/1025246206.db2.gz BUNJRKAAODIBML-GFCCVEGCSA-N 1 2 327.243 3.970 20 30 EHEDLO Fc1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(F)c1F ZINC000896223935 1025246220 /nfs/dbraw/zinc/24/62/20/1025246220.db2.gz BUNJRKAAODIBML-GFCCVEGCSA-N 1 2 327.243 3.970 20 30 EHEDLO N#Cc1ccc(COc2cccc(-n3cc[nH+]c3)c2)c(OC(F)F)c1 ZINC000439551055 1025495780 /nfs/dbraw/zinc/49/57/80/1025495780.db2.gz NUAQCHCZTRZTTL-UHFFFAOYSA-N 1 2 341.317 3.924 20 30 EHEDLO C=CCCn1cc(C[NH2+][C@H](Cc2ccc(C)cc2)c2ccccn2)nn1 ZINC000657364145 1025509463 /nfs/dbraw/zinc/50/94/63/1025509463.db2.gz TXUZOLQEDZZZMK-OAQYLSRUSA-N 1 2 347.466 3.631 20 30 EHEDLO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)c(OC)c1 ZINC000442834508 1025525193 /nfs/dbraw/zinc/52/51/93/1025525193.db2.gz DMPBAVHZBACJMZ-CQSZACIVSA-N 1 2 332.444 3.509 20 30 EHEDLO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)c(OC)c1 ZINC000442834508 1025525202 /nfs/dbraw/zinc/52/52/02/1025525202.db2.gz DMPBAVHZBACJMZ-CQSZACIVSA-N 1 2 332.444 3.509 20 30 EHEDLO CC(C)OC1CC[NH+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141902916 1025705452 /nfs/dbraw/zinc/70/54/52/1025705452.db2.gz JJIBOWJWOBXOTE-UHFFFAOYSA-N 1 2 337.261 3.710 20 30 EHEDLO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000120038765 1025731015 /nfs/dbraw/zinc/73/10/15/1025731015.db2.gz DCYOYDGPGFFKRA-OAHLLOKOSA-N 1 2 339.414 3.937 20 30 EHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000120038765 1025731023 /nfs/dbraw/zinc/73/10/23/1025731023.db2.gz DCYOYDGPGFFKRA-OAHLLOKOSA-N 1 2 339.414 3.937 20 30 EHEDLO C=C1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000329385875 1025799806 /nfs/dbraw/zinc/79/98/06/1025799806.db2.gz PLRONKXEJKWGNL-UHFFFAOYSA-N 1 2 328.412 3.968 20 30 EHEDLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896655496 1025816375 /nfs/dbraw/zinc/81/63/75/1025816375.db2.gz XZRDNMMREDWFBA-OAHLLOKOSA-N 1 2 341.484 3.610 20 30 EHEDLO CC(C)c1cnc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 ZINC000896655496 1025816393 /nfs/dbraw/zinc/81/63/93/1025816393.db2.gz XZRDNMMREDWFBA-OAHLLOKOSA-N 1 2 341.484 3.610 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000329430048 1025843181 /nfs/dbraw/zinc/84/31/81/1025843181.db2.gz IBAWCYQSPAMGOI-CJNGLKHVSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000329430048 1025843195 /nfs/dbraw/zinc/84/31/95/1025843195.db2.gz IBAWCYQSPAMGOI-CJNGLKHVSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000329430048 1025843218 /nfs/dbraw/zinc/84/32/18/1025843218.db2.gz IBAWCYQSPAMGOI-CJNGLKHVSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000329430048 1025843270 /nfs/dbraw/zinc/84/32/70/1025843270.db2.gz IBAWCYQSPAMGOI-CJNGLKHVSA-N 1 2 341.459 3.532 20 30 EHEDLO CC(C)[N@H+](Cc1nncn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000277699082 1026610185 /nfs/dbraw/zinc/61/01/85/1026610185.db2.gz LVOXNOWIYVRZFA-UHFFFAOYSA-N 1 2 331.423 3.550 20 30 EHEDLO CC(C)[N@@H+](Cc1nncn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000277699082 1026610187 /nfs/dbraw/zinc/61/01/87/1026610187.db2.gz LVOXNOWIYVRZFA-UHFFFAOYSA-N 1 2 331.423 3.550 20 30 EHEDLO C=C(C)C[N@@H+](CC)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000501255270 1027157995 /nfs/dbraw/zinc/15/79/95/1027157995.db2.gz VUYUKPCTFSKBJN-AWEZNQCLSA-N 1 2 326.234 3.561 20 30 EHEDLO C=C(C)C[N@H+](CC)[C@H](C(=O)OC)c1cccc(Br)c1 ZINC000501255270 1027158004 /nfs/dbraw/zinc/15/80/04/1027158004.db2.gz VUYUKPCTFSKBJN-AWEZNQCLSA-N 1 2 326.234 3.561 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000268244246 1027283258 /nfs/dbraw/zinc/28/32/58/1027283258.db2.gz ILVWSJYXSZCNCL-MLGOLLRUSA-N 1 2 334.345 3.861 20 30 EHEDLO CC(C)[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nc(C2CC2)no1 ZINC000127919290 1027374153 /nfs/dbraw/zinc/37/41/53/1027374153.db2.gz XYWYMMFAUWXXPV-OHTSDLOESA-N 1 2 336.439 3.858 20 30 EHEDLO C[N@H+](CCCOc1ccc(F)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459307759 1027504530 /nfs/dbraw/zinc/50/45/30/1027504530.db2.gz JRSAICUKAYIKMA-UHFFFAOYSA-N 1 2 343.358 3.506 20 30 EHEDLO C[N@@H+](CCCOc1ccc(F)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459307759 1027504550 /nfs/dbraw/zinc/50/45/50/1027504550.db2.gz JRSAICUKAYIKMA-UHFFFAOYSA-N 1 2 343.358 3.506 20 30 EHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000533520471 1028038650 /nfs/dbraw/zinc/03/86/50/1028038650.db2.gz ZKARGHSSSCUWFS-OAQYLSRUSA-N 1 2 348.446 3.697 20 30 EHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000533520471 1028038667 /nfs/dbraw/zinc/03/86/67/1028038667.db2.gz ZKARGHSSSCUWFS-OAQYLSRUSA-N 1 2 348.446 3.697 20 30 EHEDLO Cc1cc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1F ZINC000444741465 1028225552 /nfs/dbraw/zinc/22/55/52/1028225552.db2.gz UTKWTPLVCBJSCC-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO Cc1cc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1F ZINC000444741465 1028225569 /nfs/dbraw/zinc/22/55/69/1028225569.db2.gz UTKWTPLVCBJSCC-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO Cc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502510412 1028272682 /nfs/dbraw/zinc/27/26/82/1028272682.db2.gz KWEWQGZCXOMXPM-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502510412 1028272699 /nfs/dbraw/zinc/27/26/99/1028272699.db2.gz KWEWQGZCXOMXPM-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO COc1ccc(-c2nc(C[NH+]3CCC(C#N)CC3)cs2)c(OC)c1 ZINC000057907965 1028379324 /nfs/dbraw/zinc/37/93/24/1028379324.db2.gz VAXHDIRURSTJSD-UHFFFAOYSA-N 1 2 343.452 3.563 20 30 EHEDLO Cc1cc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)ccc1C#N ZINC000475620148 1028512202 /nfs/dbraw/zinc/51/22/02/1028512202.db2.gz BPUFRVPUQRZABS-INIZCTEOSA-N 1 2 335.234 3.997 20 30 EHEDLO CC[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC000272477092 1029474583 /nfs/dbraw/zinc/47/45/83/1029474583.db2.gz AOERZDMHRPDYGM-MRXNPFEDSA-N 1 2 333.863 3.533 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000533220902 1029484193 /nfs/dbraw/zinc/48/41/93/1029484193.db2.gz BHGSCEDUPZNAQT-SFHVURJKSA-N 1 2 339.826 3.987 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000533220902 1029484201 /nfs/dbraw/zinc/48/42/01/1029484201.db2.gz BHGSCEDUPZNAQT-SFHVURJKSA-N 1 2 339.826 3.987 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OC(C)C)CC1 ZINC000533338621 1029636002 /nfs/dbraw/zinc/63/60/02/1029636002.db2.gz WIIPFVVPIRMQPG-UHFFFAOYSA-N 1 2 348.512 3.793 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1c1ccccc1 ZINC000248344724 1029696187 /nfs/dbraw/zinc/69/61/87/1029696187.db2.gz LYEDHUCZTPWYMQ-AUUYWEPGSA-N 1 2 330.391 3.801 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1c1ccccc1 ZINC000248344724 1029696192 /nfs/dbraw/zinc/69/61/92/1029696192.db2.gz LYEDHUCZTPWYMQ-AUUYWEPGSA-N 1 2 330.391 3.801 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000272282834 1029807908 /nfs/dbraw/zinc/80/79/08/1029807908.db2.gz MXZCBDYIAQKKHY-UHFFFAOYSA-N 1 2 343.452 3.837 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000272282834 1029807919 /nfs/dbraw/zinc/80/79/19/1029807919.db2.gz MXZCBDYIAQKKHY-UHFFFAOYSA-N 1 2 343.452 3.837 20 30 EHEDLO Cn1c2ccccc2nc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093363946 1030592088 /nfs/dbraw/zinc/59/20/88/1030592088.db2.gz FOZJHQUHJHHMIO-UHFFFAOYSA-N 1 2 348.450 3.888 20 30 EHEDLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093363946 1030592099 /nfs/dbraw/zinc/59/20/99/1030592099.db2.gz FOZJHQUHJHHMIO-UHFFFAOYSA-N 1 2 348.450 3.888 20 30 EHEDLO N#Cc1c(Br)cccc1NCCc1cn2ccccc2[nH+]1 ZINC000527134474 1030681853 /nfs/dbraw/zinc/68/18/53/1030681853.db2.gz OLNMUTVQVXEWGP-UHFFFAOYSA-N 1 2 341.212 3.623 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000161109362 1031326830 /nfs/dbraw/zinc/32/68/30/1031326830.db2.gz JSUKOXIXCWXZGY-MRXNPFEDSA-N 1 2 328.412 3.996 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000161109362 1031326838 /nfs/dbraw/zinc/32/68/38/1031326838.db2.gz JSUKOXIXCWXZGY-MRXNPFEDSA-N 1 2 328.412 3.996 20 30 EHEDLO CCc1ccc([C@H]2C[N@H+](CCOc3ccccc3C#N)CCO2)cc1 ZINC000484561302 1031740583 /nfs/dbraw/zinc/74/05/83/1031740583.db2.gz FNAJUTSVIFDYGP-OAQYLSRUSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1ccc([C@H]2C[N@@H+](CCOc3ccccc3C#N)CCO2)cc1 ZINC000484561302 1031740593 /nfs/dbraw/zinc/74/05/93/1031740593.db2.gz FNAJUTSVIFDYGP-OAQYLSRUSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1ccc([C@H]2C[N@H+](Cc3cc(C#N)ccc3OC)CCO2)cc1 ZINC000484563866 1031742956 /nfs/dbraw/zinc/74/29/56/1031742956.db2.gz DUNWPRGIOCOVDC-OAQYLSRUSA-N 1 2 336.435 3.703 20 30 EHEDLO CCc1ccc([C@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)CCO2)cc1 ZINC000484563866 1031742971 /nfs/dbraw/zinc/74/29/71/1031742971.db2.gz DUNWPRGIOCOVDC-OAQYLSRUSA-N 1 2 336.435 3.703 20 30 EHEDLO C=C[C@@H](CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000179288214 1031763136 /nfs/dbraw/zinc/76/31/36/1031763136.db2.gz FUKNUNRNIQYDPG-ROUUACIJSA-N 1 2 337.467 3.561 20 30 EHEDLO N#Cc1cc2c(nc1N1CCC(CCCn3cc[nH+]c3)CC1)CCCC2 ZINC000611932118 1033420056 /nfs/dbraw/zinc/42/00/56/1033420056.db2.gz PMVDXUBAUFNZJA-UHFFFAOYSA-N 1 2 349.482 3.725 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614917 1033928034 /nfs/dbraw/zinc/92/80/34/1033928034.db2.gz JPNISZNUXHEJDP-UONOGXRCSA-N 1 2 349.862 3.610 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614917 1033928041 /nfs/dbraw/zinc/92/80/41/1033928041.db2.gz JPNISZNUXHEJDP-UONOGXRCSA-N 1 2 349.862 3.610 20 30 EHEDLO CC(C)(C)c1cnc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)o1 ZINC000595773264 1033972532 /nfs/dbraw/zinc/97/25/32/1033972532.db2.gz KHOFFQCBNGDFHK-UHFFFAOYSA-N 1 2 339.439 3.639 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057877541 1034247044 /nfs/dbraw/zinc/24/70/44/1034247044.db2.gz KEMSYZHCZNLZKU-KRWDZBQOSA-N 1 2 347.462 3.840 20 30 EHEDLO CC(C)c1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596658051 1034330797 /nfs/dbraw/zinc/33/07/97/1034330797.db2.gz HDDCKZDVSHQGPA-UHFFFAOYSA-N 1 2 347.462 3.640 20 30 EHEDLO Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(C)c[nH+]1 ZINC000534324087 1034397776 /nfs/dbraw/zinc/39/77/76/1034397776.db2.gz JWDSHEAIGHYBGR-UHFFFAOYSA-N 1 2 336.439 3.682 20 30 EHEDLO N#Cc1cccc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000450535283 1034510797 /nfs/dbraw/zinc/51/07/97/1034510797.db2.gz LVRMBFQFZXKGTM-SHTZXODSSA-N 1 2 337.383 3.697 20 30 EHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000597232762 1034612630 /nfs/dbraw/zinc/61/26/30/1034612630.db2.gz WZUKTUIKEFADNB-FQEVSTJZSA-N 1 2 335.455 3.796 20 30 EHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000597232762 1034612634 /nfs/dbraw/zinc/61/26/34/1034612634.db2.gz WZUKTUIKEFADNB-FQEVSTJZSA-N 1 2 335.455 3.796 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997232 1035649279 /nfs/dbraw/zinc/64/92/79/1035649279.db2.gz YANIBVMKZIODBU-HNNXBMFYSA-N 1 2 349.409 3.814 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000192997232 1035649289 /nfs/dbraw/zinc/64/92/89/1035649289.db2.gz YANIBVMKZIODBU-HNNXBMFYSA-N 1 2 349.409 3.814 20 30 EHEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1F ZINC000588229435 1035827941 /nfs/dbraw/zinc/82/79/41/1035827941.db2.gz HOLKSTNDHKARFB-MRXNPFEDSA-N 1 2 336.769 3.967 20 30 EHEDLO N#CCc1cc[nH+]c(NCc2cnn(Cc3ccccc3Cl)c2)c1 ZINC000613443178 1035877696 /nfs/dbraw/zinc/87/76/96/1035877696.db2.gz CFSHJUGZKQLRHD-UHFFFAOYSA-N 1 2 337.814 3.658 20 30 EHEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)o1 ZINC000051455202 1036898203 /nfs/dbraw/zinc/89/82/03/1036898203.db2.gz CIHPNOYCJXNHEN-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)o1 ZINC000051455202 1036898225 /nfs/dbraw/zinc/89/82/25/1036898225.db2.gz CIHPNOYCJXNHEN-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC)cn1 ZINC000088501071 1037331357 /nfs/dbraw/zinc/33/13/57/1037331357.db2.gz STPMMCHMUFDDNR-UHFFFAOYSA-N 1 2 327.384 3.577 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC)cn1 ZINC000088501071 1037331369 /nfs/dbraw/zinc/33/13/69/1037331369.db2.gz STPMMCHMUFDDNR-UHFFFAOYSA-N 1 2 327.384 3.577 20 30 EHEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000177373541 1037499654 /nfs/dbraw/zinc/49/96/54/1037499654.db2.gz QNGBHCKWIYDUQC-QFIPXVFZSA-N 1 2 331.868 3.561 20 30 EHEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000177373541 1037499662 /nfs/dbraw/zinc/49/96/62/1037499662.db2.gz QNGBHCKWIYDUQC-QFIPXVFZSA-N 1 2 331.868 3.561 20 30 EHEDLO Cc1nc([C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150082 1037852149 /nfs/dbraw/zinc/85/21/49/1037852149.db2.gz CHWMLRJUPOLWID-UGSOOPFHSA-N 1 2 345.830 3.715 20 30 EHEDLO Cc1nc([C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)oc1-c1ccc(Cl)cc1 ZINC000592150082 1037852160 /nfs/dbraw/zinc/85/21/60/1037852160.db2.gz CHWMLRJUPOLWID-UGSOOPFHSA-N 1 2 345.830 3.715 20 30 EHEDLO C=CC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512378824 1038934521 /nfs/dbraw/zinc/93/45/21/1038934521.db2.gz BQPBBJNYYWYZEL-UHFFFAOYSA-N 1 2 336.395 3.739 20 30 EHEDLO C=CC[N@H+](Cc1cnc2ccc(C)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512378824 1038934534 /nfs/dbraw/zinc/93/45/34/1038934534.db2.gz BQPBBJNYYWYZEL-UHFFFAOYSA-N 1 2 336.395 3.739 20 30 EHEDLO C=CCN(Cc1c[nH+]c2ccc(C)cn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512378824 1038934548 /nfs/dbraw/zinc/93/45/48/1038934548.db2.gz BQPBBJNYYWYZEL-UHFFFAOYSA-N 1 2 336.395 3.739 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)cc1 ZINC000552088869 1038947468 /nfs/dbraw/zinc/94/74/68/1038947468.db2.gz UZBNFZQXYXIQPZ-LJQANCHMSA-N 1 2 337.398 3.993 20 30 EHEDLO Cc1cc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)ccc1C#N ZINC000488245474 1038999875 /nfs/dbraw/zinc/99/98/75/1038999875.db2.gz GMHCNZBZWKFUEW-CYBMUJFWSA-N 1 2 336.370 3.907 20 30 EHEDLO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)nc1C ZINC000488261746 1039020157 /nfs/dbraw/zinc/02/01/57/1039020157.db2.gz FLEIADRFNKSXGK-ZDUSSCGKSA-N 1 2 343.452 3.659 20 30 EHEDLO CCC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000512426721 1039106617 /nfs/dbraw/zinc/10/66/17/1039106617.db2.gz ITOVSNYRHBEBEK-OAHLLOKOSA-N 1 2 339.414 3.937 20 30 EHEDLO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000512426721 1039106630 /nfs/dbraw/zinc/10/66/30/1039106630.db2.gz ITOVSNYRHBEBEK-OAHLLOKOSA-N 1 2 339.414 3.937 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000489473284 1040016948 /nfs/dbraw/zinc/01/69/48/1040016948.db2.gz JHUYMONLESDVRN-QGZVFWFLSA-N 1 2 341.480 3.614 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000489473284 1040016964 /nfs/dbraw/zinc/01/69/64/1040016964.db2.gz JHUYMONLESDVRN-QGZVFWFLSA-N 1 2 341.480 3.614 20 30 EHEDLO C=CCC(F)(F)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816402 1040183259 /nfs/dbraw/zinc/18/32/59/1040183259.db2.gz UDVCVYJFFHPSLE-ZDUSSCGKSA-N 1 2 337.414 3.642 20 30 EHEDLO C=CCC(F)(F)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816402 1040183269 /nfs/dbraw/zinc/18/32/69/1040183269.db2.gz UDVCVYJFFHPSLE-ZDUSSCGKSA-N 1 2 337.414 3.642 20 30 EHEDLO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000479632956 1040444439 /nfs/dbraw/zinc/44/44/39/1040444439.db2.gz CWNSWWZHSXHYJB-MRXNPFEDSA-N 1 2 338.854 3.916 20 30 EHEDLO C=CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000479632956 1040444453 /nfs/dbraw/zinc/44/44/53/1040444453.db2.gz CWNSWWZHSXHYJB-MRXNPFEDSA-N 1 2 338.854 3.916 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2/OCc3cccc(Cl)c3C2=O)s1 ZINC000899434282 1040502066 /nfs/dbraw/zinc/50/20/66/1040502066.db2.gz UNQWCKDBJFQIDH-AWNIVKPZSA-N 1 2 334.828 3.612 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000364296586 1040718563 /nfs/dbraw/zinc/71/85/63/1040718563.db2.gz OCFZQYPPDUSYKP-UHFFFAOYSA-N 1 2 340.427 3.776 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000364296586 1040718569 /nfs/dbraw/zinc/71/85/69/1040718569.db2.gz OCFZQYPPDUSYKP-UHFFFAOYSA-N 1 2 340.427 3.776 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H](C)COC ZINC000661242772 1042023211 /nfs/dbraw/zinc/02/32/11/1042023211.db2.gz FVTYZGOTFZQTSC-CYBMUJFWSA-N 1 2 346.452 3.562 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H](C)COC ZINC000661242772 1042023218 /nfs/dbraw/zinc/02/32/18/1042023218.db2.gz FVTYZGOTFZQTSC-CYBMUJFWSA-N 1 2 346.452 3.562 20 30 EHEDLO COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872095 1042564972 /nfs/dbraw/zinc/56/49/72/1042564972.db2.gz ULYSKQQAFXFREW-VQTJNVASSA-N 1 2 334.419 3.745 20 30 EHEDLO COC(=O)c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872095 1042564973 /nfs/dbraw/zinc/56/49/73/1042564973.db2.gz ULYSKQQAFXFREW-VQTJNVASSA-N 1 2 334.419 3.745 20 30 EHEDLO N#Cc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278933676 1042988641 /nfs/dbraw/zinc/98/86/41/1042988641.db2.gz VKLRJNZVEIRPNY-UHFFFAOYSA-N 1 2 349.438 3.503 20 30 EHEDLO C[C@H]1C[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C)S1 ZINC000072770061 1126877847 /nfs/dbraw/zinc/87/78/47/1126877847.db2.gz RPNGLDLGZVVUMT-GJZGRUSLSA-N 1 2 341.480 3.563 20 30 EHEDLO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cn(-c2ccccc2)nn1 ZINC000185470630 1126903005 /nfs/dbraw/zinc/90/30/05/1126903005.db2.gz YPIJYDMVBUTPRE-OAHLLOKOSA-N 1 2 336.826 3.623 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000764989769 1127560886 /nfs/dbraw/zinc/56/08/86/1127560886.db2.gz USJRVOQYMAIPCD-OAHLLOKOSA-N 1 2 345.516 3.988 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000764989769 1127560891 /nfs/dbraw/zinc/56/08/91/1127560891.db2.gz USJRVOQYMAIPCD-OAHLLOKOSA-N 1 2 345.516 3.988 20 30 EHEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000265571384 1127772430 /nfs/dbraw/zinc/77/24/30/1127772430.db2.gz DXXWPJAHOUJNRH-JRLRZGBRSA-N 1 2 338.476 3.567 20 30 EHEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000265571384 1127772433 /nfs/dbraw/zinc/77/24/33/1127772433.db2.gz DXXWPJAHOUJNRH-JRLRZGBRSA-N 1 2 338.476 3.567 20 30 EHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000301367103 1128588636 /nfs/dbraw/zinc/58/86/36/1128588636.db2.gz OHGXAUVNZFHCOR-GOSISDBHSA-N 1 2 342.393 3.505 20 30 EHEDLO CC[N@@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302131216 1128621813 /nfs/dbraw/zinc/62/18/13/1128621813.db2.gz BYXIZFKBLFUQAH-WBVHZDCISA-N 1 2 346.356 3.618 20 30 EHEDLO CC[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000302131216 1128621816 /nfs/dbraw/zinc/62/18/16/1128621816.db2.gz BYXIZFKBLFUQAH-WBVHZDCISA-N 1 2 346.356 3.618 20 30 EHEDLO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000303183329 1128669686 /nfs/dbraw/zinc/66/96/86/1128669686.db2.gz KQWNHJPUJMQJAT-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO C[C@H]1CN(c2ccc([NH2+]C3CC(C#N)(c4ccccc4)C3)cc2)CCO1 ZINC000129543740 1120148289 /nfs/dbraw/zinc/14/82/89/1120148289.db2.gz VDMUXLJFCBOXNH-RYHLMMNBSA-N 1 2 347.462 3.948 20 30 EHEDLO CC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751217 1128896084 /nfs/dbraw/zinc/89/60/84/1128896084.db2.gz CZSKWHUNTVIFMY-UHFFFAOYSA-N 1 2 349.434 3.610 20 30 EHEDLO CC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063751217 1128896086 /nfs/dbraw/zinc/89/60/86/1128896086.db2.gz CZSKWHUNTVIFMY-UHFFFAOYSA-N 1 2 349.434 3.610 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000185473705 1120415531 /nfs/dbraw/zinc/41/55/31/1120415531.db2.gz HGDXRNGGBAPCOS-IRXDYDNUSA-N 1 2 330.472 3.503 20 30 EHEDLO COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000487866694 1120993610 /nfs/dbraw/zinc/99/36/10/1120993610.db2.gz BEVLVEWCJNOPFC-GOSISDBHSA-N 1 2 349.478 3.754 20 30 EHEDLO CC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193761102 1121621504 /nfs/dbraw/zinc/62/15/04/1121621504.db2.gz YEACNJPYJROEBE-HNNXBMFYSA-N 1 2 349.434 3.782 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193761102 1121621509 /nfs/dbraw/zinc/62/15/09/1121621509.db2.gz YEACNJPYJROEBE-HNNXBMFYSA-N 1 2 349.434 3.782 20 30 EHEDLO CC[NH+](CC)Cc1cccc(C/N=C\c2cc([N+](=O)[O-])ccc2O)c1 ZINC000915980800 1122006460 /nfs/dbraw/zinc/00/64/60/1122006460.db2.gz DDUSSTUSRFLEQY-MOSHPQCFSA-N 1 2 341.411 3.761 20 30 EHEDLO CC(=[NH+]Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000916251051 1122110713 /nfs/dbraw/zinc/11/07/13/1122110713.db2.gz ZGJCJIPHCSQESH-UHFFFAOYSA-N 1 2 349.356 3.777 20 30 EHEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccc(Cl)cc2Cl)cc1 ZINC000916340025 1122130022 /nfs/dbraw/zinc/13/00/22/1122130022.db2.gz OBERKWTXDVCMRX-UHFFFAOYSA-N 1 2 338.238 3.868 20 30 EHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000496618255 1122135354 /nfs/dbraw/zinc/13/53/54/1122135354.db2.gz PUSCSLVJKDQDFN-ZFWWWQNUSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000496618255 1122135356 /nfs/dbraw/zinc/13/53/56/1122135356.db2.gz PUSCSLVJKDQDFN-ZFWWWQNUSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@@H]1CCN(c2ccc(Br)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000272779968 1122213167 /nfs/dbraw/zinc/21/31/67/1122213167.db2.gz AACIPZKMBMEEAG-MLGOLLRUSA-N 1 2 345.244 3.605 20 30 EHEDLO CC(C)CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917097102 1122497482 /nfs/dbraw/zinc/49/74/82/1122497482.db2.gz ZBHKAYBMBGQUDV-OAHLLOKOSA-N 1 2 341.480 3.983 20 30 EHEDLO CC[NH+](CC)Cc1cc(C(C)N=Nc2ccnc(F)c2)ccc1O ZINC000781132994 1123255433 /nfs/dbraw/zinc/25/54/33/1123255433.db2.gz KQDYTFAJZXQLIN-UHFFFAOYSA-N 1 2 330.407 3.604 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000347759821 1129695591 /nfs/dbraw/zinc/69/55/91/1129695591.db2.gz SGYQBTKUVSUKNG-NRFANRHFSA-N 1 2 347.462 3.610 20 30 EHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000509093926 1129739946 /nfs/dbraw/zinc/73/99/46/1129739946.db2.gz AHSGLZZBXOHZPN-UHFFFAOYSA-N 1 2 345.368 3.688 20 30 EHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000509093926 1129739948 /nfs/dbraw/zinc/73/99/48/1129739948.db2.gz AHSGLZZBXOHZPN-UHFFFAOYSA-N 1 2 345.368 3.688 20 30 EHEDLO N#Cc1ccc(CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C2CC2)cc1 ZINC000172047299 1130101178 /nfs/dbraw/zinc/10/11/78/1130101178.db2.gz CJXVMVRFVSCKIW-UHFFFAOYSA-N 1 2 342.402 3.549 20 30 EHEDLO CCc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000172395721 1130129929 /nfs/dbraw/zinc/12/99/29/1130129929.db2.gz PGHLWXFCRLUVNQ-QGZVFWFLSA-N 1 2 347.462 3.640 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000245918847 1130331165 /nfs/dbraw/zinc/33/11/65/1130331165.db2.gz NNAWIEQSTWMOBH-ACJLOTCBSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000245918847 1130331170 /nfs/dbraw/zinc/33/11/70/1130331170.db2.gz NNAWIEQSTWMOBH-ACJLOTCBSA-N 1 2 328.437 3.590 20 30 EHEDLO N#Cc1cc(Cl)c(Nc2ccc(C[NH+]3CC(O)C3)cc2)c(Cl)c1 ZINC001212668043 1131784073 /nfs/dbraw/zinc/78/40/73/1131784073.db2.gz DQTUUBVBWYWDOF-UHFFFAOYSA-N 1 2 348.233 3.785 20 30 EHEDLO CC#CCOC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000745095359 1132192187 /nfs/dbraw/zinc/19/21/87/1132192187.db2.gz OUQLVLPWSYTGPE-HNNXBMFYSA-N 1 2 327.346 3.655 20 30 EHEDLO C#Cc1cc(Nc2ccc(OCc3ccccc3)c(OC)c2)cc[nH+]1 ZINC001174442520 1132360377 /nfs/dbraw/zinc/36/03/77/1132360377.db2.gz GINNWTNNIHKBPO-UHFFFAOYSA-N 1 2 330.387 3.816 20 30 EHEDLO C=CCc1cc(C)c[nH+]c1N[C@H](CC(=O)OCC)c1cccnc1 ZINC001169675471 1132825854 /nfs/dbraw/zinc/82/58/54/1132825854.db2.gz ZRXGKDGZPIRGBZ-QGZVFWFLSA-N 1 2 325.412 3.620 20 30 EHEDLO C[N@@H+](Cc1ccccc1C(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000767887735 1133063600 /nfs/dbraw/zinc/06/36/00/1133063600.db2.gz MRIVAFVNNDTSHU-UHFFFAOYSA-N 1 2 346.434 3.769 20 30 EHEDLO C[N@H+](Cc1ccccc1C(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000767887735 1133063603 /nfs/dbraw/zinc/06/36/03/1133063603.db2.gz MRIVAFVNNDTSHU-UHFFFAOYSA-N 1 2 346.434 3.769 20 30 EHEDLO Cc1c(C(=O)/C=C\c2cccc3[nH+]ccn32)cnn1-c1ccccc1 ZINC000769608509 1133321831 /nfs/dbraw/zinc/32/18/31/1133321831.db2.gz UIHFBVQYXHJWJU-KHPPLWFESA-N 1 2 328.375 3.725 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cnc4c(F)cccc4c3)CCO2)c1 ZINC001180133392 1133328761 /nfs/dbraw/zinc/32/87/61/1133328761.db2.gz VHLCQLXNTKFENH-FQEVSTJZSA-N 1 2 347.393 3.819 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cnc4c(F)cccc4c3)CCO2)c1 ZINC001180133392 1133328764 /nfs/dbraw/zinc/32/87/64/1133328764.db2.gz VHLCQLXNTKFENH-FQEVSTJZSA-N 1 2 347.393 3.819 20 30 EHEDLO C=CC[C@@H]1N(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CCCC1(C)C ZINC000770441337 1133430757 /nfs/dbraw/zinc/43/07/57/1133430757.db2.gz ZJKWPWGQXZXAQU-KRWDZBQOSA-N 1 2 345.487 3.983 20 30 EHEDLO Cc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1F ZINC001181277057 1133474831 /nfs/dbraw/zinc/47/48/31/1133474831.db2.gz VGUQHMWGUYSTIX-UHFFFAOYSA-N 1 2 343.833 3.981 20 30 EHEDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cccc2[nH+]ccn21 ZINC000771087022 1133505594 /nfs/dbraw/zinc/50/55/94/1133505594.db2.gz CVNUICYOGXETBK-UHFFFAOYSA-N 1 2 349.272 3.707 20 30 EHEDLO Cc1c(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cnn1C(C)C ZINC000787186433 1133971401 /nfs/dbraw/zinc/97/14/01/1133971401.db2.gz BJMPWMQEGMHIKK-PLNGDYQASA-N 1 2 326.425 3.916 20 30 EHEDLO Cc1nn(C)c(Cl)c1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000788009668 1134063501 /nfs/dbraw/zinc/06/35/01/1134063501.db2.gz VDBSZVOAPKDVDR-UHFFFAOYSA-N 1 2 330.863 3.815 20 30 EHEDLO Cc1nn(C)c(Cl)c1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000788009668 1134063509 /nfs/dbraw/zinc/06/35/09/1134063509.db2.gz VDBSZVOAPKDVDR-UHFFFAOYSA-N 1 2 330.863 3.815 20 30 EHEDLO C[NH+](C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000746816771 1134274242 /nfs/dbraw/zinc/27/42/42/1134274242.db2.gz UJPGQCGRBYQSQF-JJLFXSABSA-N 1 2 347.802 3.676 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(F)cc(C(F)(F)F)c2)n1 ZINC000789762412 1134327474 /nfs/dbraw/zinc/32/74/74/1134327474.db2.gz XEOBDJRCWFJTGY-UHFFFAOYSA-N 1 2 339.336 3.696 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(F)cc(C(F)(F)F)c2)n1 ZINC000789762412 1134327479 /nfs/dbraw/zinc/32/74/79/1134327479.db2.gz XEOBDJRCWFJTGY-UHFFFAOYSA-N 1 2 339.336 3.696 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(F)cc2C(F)(F)F)n1 ZINC000789758046 1134328326 /nfs/dbraw/zinc/32/83/26/1134328326.db2.gz GRPAAWJRBVNXEF-UHFFFAOYSA-N 1 2 339.336 3.696 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(F)cc2C(F)(F)F)n1 ZINC000789758046 1134328332 /nfs/dbraw/zinc/32/83/32/1134328332.db2.gz GRPAAWJRBVNXEF-UHFFFAOYSA-N 1 2 339.336 3.696 20 30 EHEDLO CCCCCCCCS(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001188013453 1134416079 /nfs/dbraw/zinc/41/60/79/1134416079.db2.gz YWSQWQKSGUPPMJ-UHFFFAOYSA-N 1 2 335.473 3.975 20 30 EHEDLO CC[NH+](CC)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000005292925 1134921260 /nfs/dbraw/zinc/92/12/60/1134921260.db2.gz JIJGSVTVXVRSEX-JZQBQCRLSA-N 1 2 341.411 3.802 20 30 EHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC001192262353 1134990148 /nfs/dbraw/zinc/99/01/48/1134990148.db2.gz VGQMAAORVORBAF-HXUWFJFHSA-N 1 2 338.838 3.886 20 30 EHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC001192262353 1134990153 /nfs/dbraw/zinc/99/01/53/1134990153.db2.gz VGQMAAORVORBAF-HXUWFJFHSA-N 1 2 338.838 3.886 20 30 EHEDLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1F ZINC001195758906 1135461351 /nfs/dbraw/zinc/46/13/51/1135461351.db2.gz XLQUBDSLAKPPKS-KRWDZBQOSA-N 1 2 336.370 3.988 20 30 EHEDLO CC(C)(C)c1cc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc[nH+]1 ZINC001196650542 1135593772 /nfs/dbraw/zinc/59/37/72/1135593772.db2.gz OVEGANBTLQSDND-UHFFFAOYSA-N 1 2 349.843 3.705 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808145594 1135623942 /nfs/dbraw/zinc/62/39/42/1135623942.db2.gz RDTIHHGBGXKDBY-FQEVSTJZSA-N 1 2 349.478 3.679 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808145594 1135623945 /nfs/dbraw/zinc/62/39/45/1135623945.db2.gz RDTIHHGBGXKDBY-FQEVSTJZSA-N 1 2 349.478 3.679 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CN1CCN(c2ccccc2)C1=O ZINC000808144810 1135624508 /nfs/dbraw/zinc/62/45/08/1135624508.db2.gz JYWPOHWNVAFUMY-UHFFFAOYSA-N 1 2 335.451 3.617 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CN1CCN(c2ccccc2)C1=O ZINC000808144810 1135624509 /nfs/dbraw/zinc/62/45/09/1135624509.db2.gz JYWPOHWNVAFUMY-UHFFFAOYSA-N 1 2 335.451 3.617 20 30 EHEDLO C#C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(C)(C)C ZINC000808482673 1135677487 /nfs/dbraw/zinc/67/74/87/1135677487.db2.gz VRUUFRREXVYLCV-ZFWWWQNUSA-N 1 2 348.516 3.544 20 30 EHEDLO C#C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(C)(C)C ZINC000808482673 1135677489 /nfs/dbraw/zinc/67/74/89/1135677489.db2.gz VRUUFRREXVYLCV-ZFWWWQNUSA-N 1 2 348.516 3.544 20 30 EHEDLO CCCC[C@@H](C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000810126408 1135924847 /nfs/dbraw/zinc/92/48/47/1135924847.db2.gz XCZQRDBHYRWVKK-KGLIPLIRSA-N 1 2 329.469 3.983 20 30 EHEDLO CCCC[C@@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000810126408 1135924849 /nfs/dbraw/zinc/92/48/49/1135924849.db2.gz XCZQRDBHYRWVKK-KGLIPLIRSA-N 1 2 329.469 3.983 20 30 EHEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1coc(-c2cccs2)n1 ZINC001199776337 1135928715 /nfs/dbraw/zinc/92/87/15/1135928715.db2.gz ATKGALPQMUGUPU-UHFFFAOYSA-N 1 2 338.436 3.631 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 ZINC000810522120 1135968972 /nfs/dbraw/zinc/96/89/72/1135968972.db2.gz XGRZJNOHICGACN-MGPUTAFESA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 ZINC000810522120 1135968976 /nfs/dbraw/zinc/96/89/76/1135968976.db2.gz XGRZJNOHICGACN-MGPUTAFESA-N 1 2 339.414 3.624 20 30 EHEDLO C=C(Br)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479081 1136096972 /nfs/dbraw/zinc/09/69/72/1136096972.db2.gz WKTLVCBXCUILRO-UHFFFAOYSA-N 1 2 340.004 3.900 20 30 EHEDLO C#CCOc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000813331291 1136318547 /nfs/dbraw/zinc/31/85/47/1136318547.db2.gz IIYNRSZGRSWLEW-UHFFFAOYSA-N 1 2 331.419 3.721 20 30 EHEDLO C#CCOc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000813331291 1136318551 /nfs/dbraw/zinc/31/85/51/1136318551.db2.gz IIYNRSZGRSWLEW-UHFFFAOYSA-N 1 2 331.419 3.721 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000852324578 1136448504 /nfs/dbraw/zinc/44/85/04/1136448504.db2.gz BFXDSZQYGJCYCW-IBGZPJMESA-N 1 2 341.455 3.870 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000852324578 1136448505 /nfs/dbraw/zinc/44/85/05/1136448505.db2.gz BFXDSZQYGJCYCW-IBGZPJMESA-N 1 2 341.455 3.870 20 30 EHEDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@@](C#N)(c4ccccn4)C3)cc2c1 ZINC000852330734 1136449523 /nfs/dbraw/zinc/44/95/23/1136449523.db2.gz HBTNQMFCTIRXRC-QFIPXVFZSA-N 1 2 342.446 3.996 20 30 EHEDLO Cc1ccc2ncc(C[N@H+]3CCC[C@@](C#N)(c4ccccn4)C3)cc2c1 ZINC000852330734 1136449526 /nfs/dbraw/zinc/44/95/26/1136449526.db2.gz HBTNQMFCTIRXRC-QFIPXVFZSA-N 1 2 342.446 3.996 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](C[C@H](C)O)c1ccccc1 ZINC000853445717 1136533161 /nfs/dbraw/zinc/53/31/61/1136533161.db2.gz VLRXBZHUISQMFK-PKOBYXMFSA-N 1 2 338.451 3.840 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)C1 ZINC000853523050 1136540164 /nfs/dbraw/zinc/54/01/64/1136540164.db2.gz AKPJIESWDYNQES-HKUYNNGSSA-N 1 2 337.467 3.713 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)C1 ZINC000853523050 1136540166 /nfs/dbraw/zinc/54/01/66/1136540166.db2.gz AKPJIESWDYNQES-HKUYNNGSSA-N 1 2 337.467 3.713 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000853670771 1136554207 /nfs/dbraw/zinc/55/42/07/1136554207.db2.gz SFHNETJWSAGILM-VQIMIIECSA-N 1 2 337.423 3.601 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nc(C2CC2)no1 ZINC000113356775 1136697895 /nfs/dbraw/zinc/69/78/95/1136697895.db2.gz GMLFWHRXFPAKOZ-CXAGYDPISA-N 1 2 340.427 3.725 20 30 EHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc(F)c(-c3ccccc3)c2)cc1 ZINC001170988632 1137062918 /nfs/dbraw/zinc/06/29/18/1137062918.db2.gz DBFBNEWZZLNNBZ-UHFFFAOYSA-N 1 2 349.365 3.711 20 30 EHEDLO Cc1c(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccnc1F ZINC000862246960 1137135077 /nfs/dbraw/zinc/13/50/77/1137135077.db2.gz PSFNFIINOZNRDH-UHFFFAOYSA-N 1 2 330.247 3.846 20 30 EHEDLO Cc1c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)ccnc1F ZINC000862246960 1137135078 /nfs/dbraw/zinc/13/50/78/1137135078.db2.gz PSFNFIINOZNRDH-UHFFFAOYSA-N 1 2 330.247 3.846 20 30 EHEDLO Cc1cccc2[nH]c(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc21 ZINC000824948821 1137158915 /nfs/dbraw/zinc/15/89/15/1137158915.db2.gz HRTDQFGCFFUPDS-NRFANRHFSA-N 1 2 331.419 3.922 20 30 EHEDLO Cc1cccc2[nH]c(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)cc21 ZINC000824948821 1137158917 /nfs/dbraw/zinc/15/89/17/1137158917.db2.gz HRTDQFGCFFUPDS-NRFANRHFSA-N 1 2 331.419 3.922 20 30 EHEDLO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000794513405 1137184864 /nfs/dbraw/zinc/18/48/64/1137184864.db2.gz LTLOJNBYHACKKB-UHFFFAOYSA-N 1 2 347.434 3.577 20 30 EHEDLO Cc1cccc(O[C@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143732958 1137193292 /nfs/dbraw/zinc/19/32/92/1137193292.db2.gz ZGFOMENOKPZJAC-INIZCTEOSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143732958 1137193293 /nfs/dbraw/zinc/19/32/93/1137193293.db2.gz ZGFOMENOKPZJAC-INIZCTEOSA-N 1 2 341.842 3.959 20 30 EHEDLO COc1ccccc1O[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143722453 1137194001 /nfs/dbraw/zinc/19/40/01/1137194001.db2.gz APGPVXHLYCVTFG-OAHLLOKOSA-N 1 2 342.826 3.874 20 30 EHEDLO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143722453 1137194003 /nfs/dbraw/zinc/19/40/03/1137194003.db2.gz APGPVXHLYCVTFG-OAHLLOKOSA-N 1 2 342.826 3.874 20 30 EHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724601 1137194042 /nfs/dbraw/zinc/19/40/42/1137194042.db2.gz YIEIVBAOAIQLHN-VQIMIIECSA-N 1 2 346.858 3.538 20 30 EHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143724601 1137194044 /nfs/dbraw/zinc/19/40/44/1137194044.db2.gz YIEIVBAOAIQLHN-VQIMIIECSA-N 1 2 346.858 3.538 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143726298 1137194445 /nfs/dbraw/zinc/19/44/45/1137194445.db2.gz LCLBZRQUEQEMTD-CQSZACIVSA-N 1 2 334.847 3.765 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143726298 1137194447 /nfs/dbraw/zinc/19/44/47/1137194447.db2.gz LCLBZRQUEQEMTD-CQSZACIVSA-N 1 2 334.847 3.765 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1c2c(sc1=O)CCCC2 ZINC000794651967 1137224012 /nfs/dbraw/zinc/22/40/12/1137224012.db2.gz YKPLQVIQTOCNPM-UHFFFAOYSA-N 1 2 328.481 3.824 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1c2c(sc1=O)CCCC2 ZINC000794651967 1137224013 /nfs/dbraw/zinc/22/40/13/1137224013.db2.gz YKPLQVIQTOCNPM-UHFFFAOYSA-N 1 2 328.481 3.824 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccccc2OC(F)F)s1 ZINC000794692308 1137234027 /nfs/dbraw/zinc/23/40/27/1137234027.db2.gz VQRPGZAKXSBGRV-BQYQJAHWSA-N 1 2 338.379 3.702 20 30 EHEDLO O=C(C=Cc1cc(-n2cc[nH+]c2)cs1)c1ccc2[nH]c(=O)oc2c1 ZINC000794716857 1137243121 /nfs/dbraw/zinc/24/31/21/1137243121.db2.gz WNQBQZBHYJHJHN-DUXPYHPUSA-N 1 2 337.360 3.677 20 30 EHEDLO C#C[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000845601043 1137300846 /nfs/dbraw/zinc/30/08/46/1137300846.db2.gz MEHMXRCYKIJQHU-WFASDCNBSA-N 1 2 336.313 3.771 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@H](c1ccccc1F)[C@@H](C)O ZINC000846013072 1137326104 /nfs/dbraw/zinc/32/61/04/1137326104.db2.gz JMXXGQQPOUACEA-YJYMSZOUSA-N 1 2 347.817 3.703 20 30 EHEDLO CCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866231310 1137336880 /nfs/dbraw/zinc/33/68/80/1137336880.db2.gz WFRBRKKIBOYMDJ-CYBMUJFWSA-N 1 2 326.396 3.522 20 30 EHEDLO CCN(CC)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)c1ccco1 ZINC000866249140 1137339246 /nfs/dbraw/zinc/33/92/46/1137339246.db2.gz IDKVZWWJMPJZAU-RHSMWYFYSA-N 1 2 327.428 3.591 20 30 EHEDLO COCCCOc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866308369 1137344292 /nfs/dbraw/zinc/34/42/92/1137344292.db2.gz BMQTYJAWVCREBB-HNNXBMFYSA-N 1 2 340.423 3.530 20 30 EHEDLO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cccc(C#N)c1O ZINC000866352702 1137348658 /nfs/dbraw/zinc/34/86/58/1137348658.db2.gz RURFTZBXJMSNRB-DLBZAZTESA-N 1 2 335.451 3.831 20 30 EHEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc(N2CCOCC2)c[nH+]1 ZINC001171373529 1137461405 /nfs/dbraw/zinc/46/14/05/1137461405.db2.gz SXBBBJAKOCEVIO-MRXNPFEDSA-N 1 2 339.439 3.656 20 30 EHEDLO N#CC1(c2cc[nH+]c(NCc3ccccc3OC3CCOCC3)c2)CC1 ZINC001171383322 1137465273 /nfs/dbraw/zinc/46/52/73/1137465273.db2.gz BJOMGAOLQDBIIY-UHFFFAOYSA-N 1 2 349.434 3.807 20 30 EHEDLO C=CCCC[NH2+]c1ccc(N2CC[C@H](CO)C2)c(Br)c1 ZINC000871850817 1137560621 /nfs/dbraw/zinc/56/06/21/1137560621.db2.gz GCYWYHIUTUTAMZ-ZDUSSCGKSA-N 1 2 339.277 3.646 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000877957004 1137697122 /nfs/dbraw/zinc/69/71/22/1137697122.db2.gz CGAXVBUSUQRLFB-HXUWFJFHSA-N 1 2 342.389 3.837 20 30 EHEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccc(F)cc1F)c1ccccc1 ZINC000877957004 1137697123 /nfs/dbraw/zinc/69/71/23/1137697123.db2.gz CGAXVBUSUQRLFB-HXUWFJFHSA-N 1 2 342.389 3.837 20 30 EHEDLO C#C[C@](C)(CC)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000879033314 1137736069 /nfs/dbraw/zinc/73/60/69/1137736069.db2.gz LYSVGLKMRJJPEF-HXUWFJFHSA-N 1 2 334.423 3.525 20 30 EHEDLO C[C@@H]1c2sccc2CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000880377795 1137777156 /nfs/dbraw/zinc/77/71/56/1137777156.db2.gz FLTRKTLMWQJSDI-GFCCVEGCSA-N 1 2 336.420 3.789 20 30 EHEDLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000880377795 1137777157 /nfs/dbraw/zinc/77/71/57/1137777157.db2.gz FLTRKTLMWQJSDI-GFCCVEGCSA-N 1 2 336.420 3.789 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000113357676 1137912875 /nfs/dbraw/zinc/91/28/75/1137912875.db2.gz LZQBWUUZIGPXMI-SFHVURJKSA-N 1 2 339.439 3.836 20 30 EHEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158237 1138054029 /nfs/dbraw/zinc/05/40/29/1138054029.db2.gz UXKFGFWPLYEBFS-OLMNPRSZSA-N 1 2 348.874 3.547 20 30 EHEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886158237 1138054032 /nfs/dbraw/zinc/05/40/32/1138054032.db2.gz UXKFGFWPLYEBFS-OLMNPRSZSA-N 1 2 348.874 3.547 20 30 EHEDLO CN(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000282959905 1138078790 /nfs/dbraw/zinc/07/87/90/1138078790.db2.gz YITGBECHKUMACJ-SFHVURJKSA-N 1 2 331.822 3.743 20 30 EHEDLO CSc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc1C#N ZINC000886690053 1138115865 /nfs/dbraw/zinc/11/58/65/1138115865.db2.gz NOUJSXJRPCWEKS-YJBOKZPZSA-N 1 2 328.412 3.842 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000127503833 1138360218 /nfs/dbraw/zinc/36/02/18/1138360218.db2.gz WQJFKEXIFODUKU-HNNXBMFYSA-N 1 2 341.480 3.991 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000127503833 1138360221 /nfs/dbraw/zinc/36/02/21/1138360221.db2.gz WQJFKEXIFODUKU-HNNXBMFYSA-N 1 2 341.480 3.991 20 30 EHEDLO CC(C)c1noc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000264142239 1138427760 /nfs/dbraw/zinc/42/77/60/1138427760.db2.gz QUVOUHYGTLAEAE-AWEZNQCLSA-N 1 2 340.427 3.669 20 30 EHEDLO C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@@H](C)N1Cc1ccccc1C#N ZINC000337253602 1138509633 /nfs/dbraw/zinc/50/96/33/1138509633.db2.gz SBBSZUIEZOWCOW-QZTJIDSGSA-N 1 2 344.462 3.525 20 30 EHEDLO C[C@@H]1CN(Cc2ccccc2C#N)C[C@@H](C)[NH+]1Cc1ccccc1C#N ZINC000337253602 1138509634 /nfs/dbraw/zinc/50/96/34/1138509634.db2.gz SBBSZUIEZOWCOW-QZTJIDSGSA-N 1 2 344.462 3.525 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000337955225 1138707411 /nfs/dbraw/zinc/70/74/11/1138707411.db2.gz LIDHVPBHRDNFSS-HNNXBMFYSA-N 1 2 330.391 3.543 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c(C#N)c1C ZINC000177280646 1139609300 /nfs/dbraw/zinc/60/93/00/1139609300.db2.gz TWCBGJFNSIMGMA-LBPRGKRZSA-N 1 2 343.452 3.574 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c(C#N)c1C ZINC000177280646 1139609307 /nfs/dbraw/zinc/60/93/07/1139609307.db2.gz TWCBGJFNSIMGMA-LBPRGKRZSA-N 1 2 343.452 3.574 20 30 EHEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184154407 1140083865 /nfs/dbraw/zinc/08/38/65/1140083865.db2.gz BXJIJFWIOSBCJJ-KRWDZBQOSA-N 1 2 328.412 3.663 20 30 EHEDLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(C#N)cc1 ZINC000266509899 1140696673 /nfs/dbraw/zinc/69/66/73/1140696673.db2.gz XHQHVTVSDVFEMP-XHSDSOJGSA-N 1 2 336.439 3.740 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1C#N ZINC000269722353 1141138302 /nfs/dbraw/zinc/13/83/02/1141138302.db2.gz UZMFSRULSIICSG-LJQANCHMSA-N 1 2 346.434 3.791 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1C#N ZINC000269722353 1141138306 /nfs/dbraw/zinc/13/83/06/1141138306.db2.gz UZMFSRULSIICSG-LJQANCHMSA-N 1 2 346.434 3.791 20 30 EHEDLO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000225536646 564149632 /nfs/dbraw/zinc/14/96/32/564149632.db2.gz KGWKEBYMPGKMLR-AWEZNQCLSA-N 1 2 334.345 3.680 20 30 EHEDLO N#Cc1cc(F)c(N2CCC(c3c[nH]c[nH+]3)CC2)cc1Br ZINC000577529514 1014253573 /nfs/dbraw/zinc/25/35/73/1014253573.db2.gz UFAHUOURMOAZLI-UHFFFAOYSA-N 1 2 349.207 3.567 20 30 EHEDLO N#Cc1cnccc1/C=C\c1c[nH+]c2ccc(Br)cn12 ZINC000349108507 1016079283 /nfs/dbraw/zinc/07/92/83/1016079283.db2.gz LJOCYTZDAODXAX-IWQZZHSRSA-N 1 2 325.169 3.534 20 30 EHEDLO C=CC[N@@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccc(Cl)s1 ZINC000659817459 1017059545 /nfs/dbraw/zinc/05/95/45/1017059545.db2.gz JJDNAJGTCREMJL-UHFFFAOYSA-N 1 2 337.876 3.866 20 30 EHEDLO C=CC[N@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccc(Cl)s1 ZINC000659817459 1017059556 /nfs/dbraw/zinc/05/95/56/1017059556.db2.gz JJDNAJGTCREMJL-UHFFFAOYSA-N 1 2 337.876 3.866 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000023333096 1032196646 /nfs/dbraw/zinc/19/66/46/1032196646.db2.gz QXRACEHHYKNIHC-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329795218 1032406571 /nfs/dbraw/zinc/40/65/71/1032406571.db2.gz GMEUCJCZHPFAOR-QZTJIDSGSA-N 1 2 342.487 3.654 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000601996302 1032587028 /nfs/dbraw/zinc/58/70/28/1032587028.db2.gz IQKQQLRDJVJHJK-UHFFFAOYSA-N 1 2 346.789 3.802 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602056412 1032611546 /nfs/dbraw/zinc/61/15/46/1032611546.db2.gz DKDGXDGMERPWLK-LJQANCHMSA-N 1 2 338.455 3.781 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000319932376 1019847091 /nfs/dbraw/zinc/84/70/91/1019847091.db2.gz CUSGJULDMSNACG-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO C=CCN1C(=O)c2ccccc2N[C@@]12CCC[C@H](c1[nH+]ccn1C)C2 ZINC000581059106 1020392153 /nfs/dbraw/zinc/39/21/53/1020392153.db2.gz GRXLLNVHRJZBJX-YWZLYKJASA-N 1 2 336.439 3.528 20 30 EHEDLO C=CCN1C(=O)c2ccccc2N[C@]12CCC[C@H](c1[nH+]ccn1C)C2 ZINC000581059104 1020393340 /nfs/dbraw/zinc/39/33/40/1020393340.db2.gz GRXLLNVHRJZBJX-MGPUTAFESA-N 1 2 336.439 3.528 20 30 EHEDLO CC[N@H+](Cc1ccc(C#N)cn1)Cc1cc(Br)ccc1F ZINC000516580625 1021568105 /nfs/dbraw/zinc/56/81/05/1021568105.db2.gz MUDZRGWXWSGVBP-UHFFFAOYSA-N 1 2 348.219 3.877 20 30 EHEDLO CC[N@@H+](Cc1ccc(C#N)cn1)Cc1cc(Br)ccc1F ZINC000516580625 1021568117 /nfs/dbraw/zinc/56/81/17/1021568117.db2.gz MUDZRGWXWSGVBP-UHFFFAOYSA-N 1 2 348.219 3.877 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC000017843417 1021659894 /nfs/dbraw/zinc/65/98/94/1021659894.db2.gz TXPHCMNWYQVFSO-UHFFFAOYSA-N 1 2 339.483 3.563 20 30 EHEDLO N#CCc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000341467819 1021997690 /nfs/dbraw/zinc/99/76/90/1021997690.db2.gz WLJAWPZMFUGRBK-GOSISDBHSA-N 1 2 330.391 3.636 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1ncc(Br)s1 ZINC000341485222 1022020394 /nfs/dbraw/zinc/02/03/94/1022020394.db2.gz OJTKUAPPMYPNOB-UHFFFAOYSA-N 1 2 327.247 3.729 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1ncc(Br)s1 ZINC000341485222 1022020409 /nfs/dbraw/zinc/02/04/09/1022020409.db2.gz OJTKUAPPMYPNOB-UHFFFAOYSA-N 1 2 327.247 3.729 20 30 EHEDLO CCOc1ccc(C#N)cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438323828 1022566382 /nfs/dbraw/zinc/56/63/82/1022566382.db2.gz DNQLDZNVIYQHLL-UHFFFAOYSA-N 1 2 332.407 3.814 20 30 EHEDLO C=CCn1cccc1-c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000345985275 1022711999 /nfs/dbraw/zinc/71/19/99/1022711999.db2.gz BXSBJSXNKVUYCR-UHFFFAOYSA-N 1 2 331.379 3.636 20 30 EHEDLO CC1CC(n2nnc3c2C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC3)C1 ZINC000602742361 1033107728 /nfs/dbraw/zinc/10/77/28/1033107728.db2.gz YCNCNHRATCLFJT-UHFFFAOYSA-N 1 2 349.482 3.609 20 30 EHEDLO CC1CC(n2nnc3c2C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC3)C1 ZINC000602742361 1033107732 /nfs/dbraw/zinc/10/77/32/1033107732.db2.gz YCNCNHRATCLFJT-UHFFFAOYSA-N 1 2 349.482 3.609 20 30 EHEDLO C=C(C)C[N@@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000181269905 1023876874 /nfs/dbraw/zinc/87/68/74/1023876874.db2.gz SOOPSDIZGRZVQH-UHFFFAOYSA-N 1 2 325.437 3.660 20 30 EHEDLO C=C(C)C[N@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000181269905 1023876878 /nfs/dbraw/zinc/87/68/78/1023876878.db2.gz SOOPSDIZGRZVQH-UHFFFAOYSA-N 1 2 325.437 3.660 20 30 EHEDLO CC1(CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000329976547 1024271514 /nfs/dbraw/zinc/27/15/14/1024271514.db2.gz FKNKHLHEOLHPLU-QZTJIDSGSA-N 1 2 338.455 3.806 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(C)c1 ZINC000330100817 1024318828 /nfs/dbraw/zinc/31/88/28/1024318828.db2.gz FCYOVHZRDYEABV-ABSDTBQOSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(C)c1 ZINC000330100817 1024318844 /nfs/dbraw/zinc/31/88/44/1024318844.db2.gz FCYOVHZRDYEABV-ABSDTBQOSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1C ZINC000330128359 1024328169 /nfs/dbraw/zinc/32/81/69/1024328169.db2.gz NNJJWLQAOJLFFM-SYNHAJSKSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1C ZINC000330128359 1024328185 /nfs/dbraw/zinc/32/81/85/1024328185.db2.gz NNJJWLQAOJLFFM-SYNHAJSKSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc2c(c1)[C@H](NC(=O)N1CCC(c3c[nH]c[nH+]3)CC1)CCC2 ZINC000330206385 1024354413 /nfs/dbraw/zinc/35/44/13/1024354413.db2.gz DFSOXTOUOJCXLL-GOSISDBHSA-N 1 2 338.455 3.889 20 30 EHEDLO Cc1ccc2c(c1)[C@H](NC(=O)N1CCC(c3c[nH+]c[nH]3)CC1)CCC2 ZINC000330206385 1024354430 /nfs/dbraw/zinc/35/44/30/1024354430.db2.gz DFSOXTOUOJCXLL-GOSISDBHSA-N 1 2 338.455 3.889 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185097610 1024425728 /nfs/dbraw/zinc/42/57/28/1024425728.db2.gz QREURROKOUYLFU-LLVKDONJSA-N 1 2 340.333 3.737 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000346313418 1024638280 /nfs/dbraw/zinc/63/82/80/1024638280.db2.gz QHUFTKAGXGQJJW-CQSZACIVSA-N 1 2 325.437 3.635 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000346313418 1024638285 /nfs/dbraw/zinc/63/82/85/1024638285.db2.gz QHUFTKAGXGQJJW-CQSZACIVSA-N 1 2 325.437 3.635 20 30 EHEDLO C=CCC1(O)CC[NH+](Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000895833605 1024899619 /nfs/dbraw/zinc/89/96/19/1024899619.db2.gz AELXFEGXDOITOV-UHFFFAOYSA-N 1 2 333.325 3.627 20 30 EHEDLO N#Cc1csc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC000515100050 1025018375 /nfs/dbraw/zinc/01/83/75/1025018375.db2.gz WSVSGUMTDTWPEI-UHFFFAOYSA-N 1 2 327.453 3.565 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508318381 1025033447 /nfs/dbraw/zinc/03/34/47/1025033447.db2.gz UALWPLQLZHDSDT-MSOLQXFVSA-N 1 2 344.499 3.720 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000508318381 1025033457 /nfs/dbraw/zinc/03/34/57/1025033457.db2.gz UALWPLQLZHDSDT-MSOLQXFVSA-N 1 2 344.499 3.720 20 30 EHEDLO N#Cc1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1F ZINC000342406172 1025226023 /nfs/dbraw/zinc/22/60/23/1025226023.db2.gz FUZPNIMKRZUOSF-INIZCTEOSA-N 1 2 334.354 3.581 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCO[C@H](C)C3)n2)CC1 ZINC000329275995 1025713568 /nfs/dbraw/zinc/71/35/68/1025713568.db2.gz KYTGYBSMJHUJJA-KGLIPLIRSA-N 1 2 337.489 3.778 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CC[C@H](F)C3)n2)C1 ZINC000329365373 1025784497 /nfs/dbraw/zinc/78/44/97/1025784497.db2.gz JXXXWVPJAVCODB-FRRDWIJNSA-N 1 2 340.468 3.592 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CC[C@H](F)C3)n2)C1 ZINC000329365373 1025784515 /nfs/dbraw/zinc/78/45/15/1025784515.db2.gz JXXXWVPJAVCODB-FRRDWIJNSA-N 1 2 340.468 3.592 20 30 EHEDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000287864241 1026069799 /nfs/dbraw/zinc/06/97/99/1026069799.db2.gz RVGAURAIZQSNTG-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000287864241 1026069814 /nfs/dbraw/zinc/06/98/14/1026069814.db2.gz RVGAURAIZQSNTG-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO N#CC1(c2ccccc2)CC(Nc2ccc([NH+]3CCC(O)CC3)cc2)C1 ZINC000128481359 1027442887 /nfs/dbraw/zinc/44/28/87/1027442887.db2.gz BBHMKMOVXLNISA-UHFFFAOYSA-N 1 2 347.462 3.684 20 30 EHEDLO Nc1cc(CNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc[nH+]1 ZINC001167616343 1027695038 /nfs/dbraw/zinc/69/50/38/1027695038.db2.gz HBHSCSSJGMMSEU-UHFFFAOYSA-N 1 2 339.214 3.851 20 30 EHEDLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026326389 1027709376 /nfs/dbraw/zinc/70/93/76/1027709376.db2.gz IWTHAQQBSJHEFB-HXUWFJFHSA-N 1 2 335.451 3.600 20 30 EHEDLO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026326389 1027709392 /nfs/dbraw/zinc/70/93/92/1027709392.db2.gz IWTHAQQBSJHEFB-HXUWFJFHSA-N 1 2 335.451 3.600 20 30 EHEDLO C=C1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC1 ZINC000533420951 1027810371 /nfs/dbraw/zinc/81/03/71/1027810371.db2.gz SLSREWOQRGNCPA-UHFFFAOYSA-N 1 2 342.439 3.709 20 30 EHEDLO N#Cc1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(Br)n1 ZINC001213085824 1027936593 /nfs/dbraw/zinc/93/65/93/1027936593.db2.gz YPGZCLJUWRWWBA-UHFFFAOYSA-N 1 2 340.184 3.849 20 30 EHEDLO C[C@H](c1nnc(S[C@@H](C)C#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000068886803 1028412575 /nfs/dbraw/zinc/41/25/75/1028412575.db2.gz YTGWPZUJDULJNV-WDEREUQCSA-N 1 2 335.864 3.547 20 30 EHEDLO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)s2)nnn1-c1ccc(C)cc1 ZINC000421875282 1028877885 /nfs/dbraw/zinc/87/78/85/1028877885.db2.gz IVLIPIWWYAERDG-ZDUSSCGKSA-N 1 2 337.452 3.668 20 30 EHEDLO CC[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)OC)s1)c1ccc(C#N)cc1 ZINC000424324568 1028971917 /nfs/dbraw/zinc/97/19/17/1028971917.db2.gz KEGWUIXMWAMYEX-SMDDNHRTSA-N 1 2 329.425 3.603 20 30 EHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000249295994 1029012009 /nfs/dbraw/zinc/01/20/09/1029012009.db2.gz BYEIJSHLUGUCGG-IAGOWNOFSA-N 1 2 334.410 3.573 20 30 EHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000249295994 1029012023 /nfs/dbraw/zinc/01/20/23/1029012023.db2.gz BYEIJSHLUGUCGG-IAGOWNOFSA-N 1 2 334.410 3.573 20 30 EHEDLO CCOc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1OC ZINC000162243283 1029517662 /nfs/dbraw/zinc/51/76/62/1029517662.db2.gz KRMLRUFHMMMEEC-UHFFFAOYSA-N 1 2 341.411 3.784 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(Cl)c2)c1C#N ZINC000533774452 1029822074 /nfs/dbraw/zinc/82/20/74/1029822074.db2.gz ARJIYACGXGBUNZ-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(Cl)c2)c1C#N ZINC000533774452 1029822079 /nfs/dbraw/zinc/82/20/79/1029822079.db2.gz ARJIYACGXGBUNZ-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)nnn1-c1ccc(C)cc1 ZINC000453388680 1030171651 /nfs/dbraw/zinc/17/16/51/1030171651.db2.gz QSOPWYUFKOYAHU-CQSZACIVSA-N 1 2 349.413 3.746 20 30 EHEDLO CSc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000550954882 1030829387 /nfs/dbraw/zinc/82/93/87/1030829387.db2.gz KTKGXPBFIJAINE-UHFFFAOYSA-N 1 2 347.484 3.803 20 30 EHEDLO C=CCc1ccc(OCC(=O)Nc2c(C)cc(C)[nH+]c2C)c(OC)c1 ZINC000097040228 1030885246 /nfs/dbraw/zinc/88/52/46/1030885246.db2.gz WJUPVKARZCVXFY-UHFFFAOYSA-N 1 2 340.423 3.761 20 30 EHEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)cc1F ZINC000483232555 1031061293 /nfs/dbraw/zinc/06/12/93/1031061293.db2.gz KFAXWAXNJVZBHU-OAHLLOKOSA-N 1 2 339.197 3.827 20 30 EHEDLO CC#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248616591 1032055868 /nfs/dbraw/zinc/05/58/68/1032055868.db2.gz JAMMDKMXNVPUGW-AEFFLSMTSA-N 1 2 336.838 3.534 20 30 EHEDLO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248616591 1032055878 /nfs/dbraw/zinc/05/58/78/1032055878.db2.gz JAMMDKMXNVPUGW-AEFFLSMTSA-N 1 2 336.838 3.534 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248615845 1032055940 /nfs/dbraw/zinc/05/59/40/1032055940.db2.gz IRJUAZGEJKSRES-ZACQAIPSSA-N 1 2 330.472 3.837 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248615845 1032055952 /nfs/dbraw/zinc/05/59/52/1032055952.db2.gz IRJUAZGEJKSRES-ZACQAIPSSA-N 1 2 330.472 3.837 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595612398 1033923724 /nfs/dbraw/zinc/92/37/24/1033923724.db2.gz WEIPWWPJWMJQAO-OLZOCXBDSA-N 1 2 339.361 3.658 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595612398 1033923736 /nfs/dbraw/zinc/92/37/36/1033923736.db2.gz WEIPWWPJWMJQAO-OLZOCXBDSA-N 1 2 339.361 3.658 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755333 1033984864 /nfs/dbraw/zinc/98/48/64/1033984864.db2.gz KYYZHHOGZXGFHG-LBPRGKRZSA-N 1 2 325.225 3.892 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755333 1033984879 /nfs/dbraw/zinc/98/48/79/1033984879.db2.gz KYYZHHOGZXGFHG-LBPRGKRZSA-N 1 2 325.225 3.892 20 30 EHEDLO N#Cc1cccc2c1CN(CCCC[N@@H+]1Cc3cccc(C#N)c3C1)C2 ZINC000593125785 1034010699 /nfs/dbraw/zinc/01/06/99/1034010699.db2.gz FSFVCUFTDAVNCK-UHFFFAOYSA-N 1 2 342.446 3.542 20 30 EHEDLO N#Cc1cccc2c1CN(CCCC[N@H+]1Cc3cccc(C#N)c3C1)C2 ZINC000593125785 1034010715 /nfs/dbraw/zinc/01/07/15/1034010715.db2.gz FSFVCUFTDAVNCK-UHFFFAOYSA-N 1 2 342.446 3.542 20 30 EHEDLO C[N@H+](CC1(C#N)CCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000450287867 1034028124 /nfs/dbraw/zinc/02/81/24/1034028124.db2.gz RRJIQCUUAZGQHN-GJZGRUSLSA-N 1 2 325.239 3.577 20 30 EHEDLO C[N@@H+](CC1(C#N)CCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000450287867 1034028138 /nfs/dbraw/zinc/02/81/38/1034028138.db2.gz RRJIQCUUAZGQHN-GJZGRUSLSA-N 1 2 325.239 3.577 20 30 EHEDLO Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000597025468 1034503614 /nfs/dbraw/zinc/50/36/14/1034503614.db2.gz ATZUBTHZRLRJDQ-UYAOXDASSA-N 1 2 334.467 3.959 20 30 EHEDLO Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000597025468 1034503619 /nfs/dbraw/zinc/50/36/19/1034503619.db2.gz ATZUBTHZRLRJDQ-UYAOXDASSA-N 1 2 334.467 3.959 20 30 EHEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000597231982 1034613302 /nfs/dbraw/zinc/61/33/02/1034613302.db2.gz PZQMAXDPFZKATO-MRXNPFEDSA-N 1 2 334.345 3.831 20 30 EHEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000597231982 1034613308 /nfs/dbraw/zinc/61/33/08/1034613308.db2.gz PZQMAXDPFZKATO-MRXNPFEDSA-N 1 2 334.345 3.831 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@](C)(C(F)F)O1 ZINC000597258191 1034631320 /nfs/dbraw/zinc/63/13/20/1034631320.db2.gz YNPBLLHTCXIJAN-RDTXWAMCSA-N 1 2 338.398 3.614 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@](C)(C(F)F)O1 ZINC000597258191 1034631330 /nfs/dbraw/zinc/63/13/30/1034631330.db2.gz YNPBLLHTCXIJAN-RDTXWAMCSA-N 1 2 338.398 3.614 20 30 EHEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ccc(-c2ccccc2)cc1 ZINC000414127055 1035654725 /nfs/dbraw/zinc/65/47/25/1035654725.db2.gz FTGQMISIWRYZKI-SFHVURJKSA-N 1 2 326.465 3.652 20 30 EHEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ccc(-c2ccccc2)cc1 ZINC000414127055 1035654732 /nfs/dbraw/zinc/65/47/32/1035654732.db2.gz FTGQMISIWRYZKI-SFHVURJKSA-N 1 2 326.465 3.652 20 30 EHEDLO CCn1ccc(C[N@H+](C)Cc2ccc(Br)cc2C#N)c1 ZINC000588206454 1035820915 /nfs/dbraw/zinc/82/09/15/1035820915.db2.gz FZQMQYXHISKSKI-UHFFFAOYSA-N 1 2 332.245 3.774 20 30 EHEDLO CCn1ccc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)c1 ZINC000588206454 1035820932 /nfs/dbraw/zinc/82/09/32/1035820932.db2.gz FZQMQYXHISKSKI-UHFFFAOYSA-N 1 2 332.245 3.774 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C#N)cc1F ZINC000031003998 1036389607 /nfs/dbraw/zinc/38/96/07/1036389607.db2.gz LKXARIDUOGEZAY-UHFFFAOYSA-N 1 2 339.414 3.857 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C#N)cc1F ZINC000031003998 1036389621 /nfs/dbraw/zinc/38/96/21/1036389621.db2.gz LKXARIDUOGEZAY-UHFFFAOYSA-N 1 2 339.414 3.857 20 30 EHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nc1C ZINC000442771608 1036572851 /nfs/dbraw/zinc/57/28/51/1036572851.db2.gz UHAFUSZHRLNKLR-WCQYABFASA-N 1 2 343.452 3.912 20 30 EHEDLO C=CC[C@H](CC)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000542139787 1037100655 /nfs/dbraw/zinc/10/06/55/1037100655.db2.gz AFBTWHBNVKZXSI-PKOBYXMFSA-N 1 2 340.471 3.895 20 30 EHEDLO CC(C)(C)C[C@@H](NC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000057874609 1037223321 /nfs/dbraw/zinc/22/33/21/1037223321.db2.gz AVQFODSNFBYQDP-GOSISDBHSA-N 1 2 345.462 3.655 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539827319 1037252862 /nfs/dbraw/zinc/25/28/62/1037252862.db2.gz QEMWZWABEXMZOI-PZJWPPBQSA-N 1 2 343.434 3.743 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539827319 1037252874 /nfs/dbraw/zinc/25/28/74/1037252874.db2.gz QEMWZWABEXMZOI-PZJWPPBQSA-N 1 2 343.434 3.743 20 30 EHEDLO C[N@H+](CCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000157373903 1037456869 /nfs/dbraw/zinc/45/68/69/1037456869.db2.gz GWIRWXQXZBXRCE-UHFFFAOYSA-N 1 2 328.243 3.804 20 30 EHEDLO C[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000157373903 1037456877 /nfs/dbraw/zinc/45/68/77/1037456877.db2.gz GWIRWXQXZBXRCE-UHFFFAOYSA-N 1 2 328.243 3.804 20 30 EHEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000591849887 1037680414 /nfs/dbraw/zinc/68/04/14/1037680414.db2.gz GBYYCCIGJRQUBU-GFCCVEGCSA-N 1 2 343.452 3.582 20 30 EHEDLO CC[N@H+](Cc1cccc(Br)c1)Cc1ccncc1C#N ZINC000592066180 1037826773 /nfs/dbraw/zinc/82/67/73/1037826773.db2.gz LJWVKBRMCQOGCG-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC[N@@H+](Cc1cccc(Br)c1)Cc1ccncc1C#N ZINC000592066180 1037826794 /nfs/dbraw/zinc/82/67/94/1037826794.db2.gz LJWVKBRMCQOGCG-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 ZINC000539198986 1038725783 /nfs/dbraw/zinc/72/57/83/1038725783.db2.gz OWLSOPCQMVYZJH-UHFFFAOYSA-N 1 2 343.492 3.847 20 30 EHEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)Cc1ccccc1 ZINC000539198986 1038725791 /nfs/dbraw/zinc/72/57/91/1038725791.db2.gz OWLSOPCQMVYZJH-UHFFFAOYSA-N 1 2 343.492 3.847 20 30 EHEDLO COc1cc(C)cc(CNc2[nH+]cccc2OCCCC#N)c1OC ZINC000905412109 1038869580 /nfs/dbraw/zinc/86/95/80/1038869580.db2.gz SUJKNHXDXOVCJP-UHFFFAOYSA-N 1 2 341.411 3.702 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000668822787 1038875831 /nfs/dbraw/zinc/87/58/31/1038875831.db2.gz CHJNSNJITCZVMO-UGSOOPFHSA-N 1 2 341.398 3.505 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000668822787 1038875857 /nfs/dbraw/zinc/87/58/57/1038875857.db2.gz CHJNSNJITCZVMO-UGSOOPFHSA-N 1 2 341.398 3.505 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000489404333 1039919360 /nfs/dbraw/zinc/91/93/60/1039919360.db2.gz OXWZGTFFPFEIRT-MRXNPFEDSA-N 1 2 340.389 3.618 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000489404333 1039919373 /nfs/dbraw/zinc/91/93/73/1039919373.db2.gz OXWZGTFFPFEIRT-MRXNPFEDSA-N 1 2 340.389 3.618 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000614175524 1040377485 /nfs/dbraw/zinc/37/74/85/1040377485.db2.gz SCYQYYHGQKNDKO-IBGZPJMESA-N 1 2 336.826 3.939 20 30 EHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cnn(CC2CCC2)c1 ZINC000899425834 1040490252 /nfs/dbraw/zinc/49/02/52/1040490252.db2.gz KZRQYDLLGLAVAK-SNAWJCMRSA-N 1 2 338.436 3.827 20 30 EHEDLO N#Cc1ccc2nc(NCc3cccc(Cn4cc[nH+]c4)c3)ccc2c1 ZINC000092890336 1041335415 /nfs/dbraw/zinc/33/54/15/1041335415.db2.gz ILRPWUYBRKJSKA-UHFFFAOYSA-N 1 2 339.402 3.963 20 30 EHEDLO C#CC[NH+](CC#C)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000093461371 1042317271 /nfs/dbraw/zinc/31/72/71/1042317271.db2.gz AONCUKNQBJTXJQ-UHFFFAOYSA-N 1 2 336.822 3.661 20 30 EHEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000172024256 1126774501 /nfs/dbraw/zinc/77/45/01/1126774501.db2.gz DBCXBOVJEBPYNR-KRWDZBQOSA-N 1 2 336.782 3.520 20 30 EHEDLO C=C(Cl)C[N@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000764485835 1127500041 /nfs/dbraw/zinc/50/00/41/1127500041.db2.gz UXZCPRKOOHYKGE-UHFFFAOYSA-N 1 2 336.911 3.986 20 30 EHEDLO C=C(Cl)C[N@@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000764485835 1127500042 /nfs/dbraw/zinc/50/00/42/1127500042.db2.gz UXZCPRKOOHYKGE-UHFFFAOYSA-N 1 2 336.911 3.986 20 30 EHEDLO C=CC(C)(C)CCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000624459837 1128366618 /nfs/dbraw/zinc/36/66/18/1128366618.db2.gz MMQCGEQKSNCJAI-QGZVFWFLSA-N 1 2 340.471 3.605 20 30 EHEDLO N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301783962 1128605240 /nfs/dbraw/zinc/60/52/40/1128605240.db2.gz USVJKUYSDFCLAZ-CQSZACIVSA-N 1 2 332.329 3.663 20 30 EHEDLO CCO[C@H](C)c1noc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000076720320 1128944902 /nfs/dbraw/zinc/94/49/02/1128944902.db2.gz YQTGQZBVHGZMGT-UONOGXRCSA-N 1 2 328.416 3.622 20 30 EHEDLO CCO[C@H](C)c1noc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000076720320 1128944904 /nfs/dbraw/zinc/94/49/04/1128944904.db2.gz YQTGQZBVHGZMGT-UONOGXRCSA-N 1 2 328.416 3.622 20 30 EHEDLO Cc1ccc(C)c(OCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761760658 1120889022 /nfs/dbraw/zinc/88/90/22/1120889022.db2.gz KVYGOIXSFJWMJX-OAQYLSRUSA-N 1 2 336.435 3.627 20 30 EHEDLO Cc1ccc(C)c(OCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761760658 1120889028 /nfs/dbraw/zinc/88/90/28/1120889028.db2.gz KVYGOIXSFJWMJX-OAQYLSRUSA-N 1 2 336.435 3.627 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3cccc(Cl)c3)CCO2)c1 ZINC000761767551 1120900904 /nfs/dbraw/zinc/90/09/04/1120900904.db2.gz ZQZMZKFREFTYLS-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3cccc(Cl)c3)CCO2)c1 ZINC000761767551 1120900906 /nfs/dbraw/zinc/90/09/06/1120900906.db2.gz ZQZMZKFREFTYLS-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1ccccc1Sc1ccccc1C(=O)OCCn1cc[nH+]c1 ZINC000763109578 1121685297 /nfs/dbraw/zinc/68/52/97/1121685297.db2.gz OUJWMDFWRHPIAG-UHFFFAOYSA-N 1 2 349.415 3.763 20 30 EHEDLO CC(=[NH+]Nc1nc(C)cc(=O)[nH]1)c1ccc(N2CCCCCC2)cc1 ZINC000916241667 1122106869 /nfs/dbraw/zinc/10/68/69/1122106869.db2.gz OMXVSNDLBYDZGY-UHFFFAOYSA-N 1 2 339.443 3.707 20 30 EHEDLO N#CCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000125462024 1122316985 /nfs/dbraw/zinc/31/69/85/1122316985.db2.gz HJFYARBXJMHKAZ-LJQANCHMSA-N 1 2 325.843 3.571 20 30 EHEDLO C[C@H]([N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098986 1122492961 /nfs/dbraw/zinc/49/29/61/1122492961.db2.gz YFLPLUSMDCIGRQ-QWHCGFSZSA-N 1 2 329.469 3.839 20 30 EHEDLO C[C@H]([N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098986 1122492963 /nfs/dbraw/zinc/49/29/63/1122492963.db2.gz YFLPLUSMDCIGRQ-QWHCGFSZSA-N 1 2 329.469 3.839 20 30 EHEDLO N#Cc1ccc(OCC[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000498801027 1123071282 /nfs/dbraw/zinc/07/12/82/1123071282.db2.gz OOHAZZCILBCVMV-SFHVURJKSA-N 1 2 330.378 3.793 20 30 EHEDLO CC(C)[C@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000920419337 1123366912 /nfs/dbraw/zinc/36/69/12/1123366912.db2.gz ZCOLNTDDKQGAEO-DZGCQCFKSA-N 1 2 327.453 3.593 20 30 EHEDLO CC(C)[C@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000920419337 1123366916 /nfs/dbraw/zinc/36/69/16/1123366916.db2.gz ZCOLNTDDKQGAEO-DZGCQCFKSA-N 1 2 327.453 3.593 20 30 EHEDLO N#CC(CC[N@@H+]1CCOCC12CC2)(c1ccccc1)c1ccccc1 ZINC000619814337 1125410459 /nfs/dbraw/zinc/41/04/59/1125410459.db2.gz LFXBZRPXOXXOMV-UHFFFAOYSA-N 1 2 332.447 3.751 20 30 EHEDLO N#CC(CC[N@H+]1CCOCC12CC2)(c1ccccc1)c1ccccc1 ZINC000619814337 1125410461 /nfs/dbraw/zinc/41/04/61/1125410461.db2.gz LFXBZRPXOXXOMV-UHFFFAOYSA-N 1 2 332.447 3.751 20 30 EHEDLO CCCc1ncc(C[NH2+]Cc2cc(C#N)ccc2Br)o1 ZINC000922162513 1129272753 /nfs/dbraw/zinc/27/27/53/1129272753.db2.gz NYZFKBFTQIXSON-UHFFFAOYSA-N 1 2 334.217 3.551 20 30 EHEDLO N#Cc1c(Cn2nc(C(F)(F)F)c3c[nH+]ccc32)cn2ccccc12 ZINC000092919105 1129568130 /nfs/dbraw/zinc/56/81/30/1129568130.db2.gz MCTQTGGSNATLPD-UHFFFAOYSA-N 1 2 341.296 3.623 20 30 EHEDLO Cc1nc(N2CCC(Oc3ccc(C#N)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000329297703 1129599410 /nfs/dbraw/zinc/59/94/10/1129599410.db2.gz KZHPMCWOOPBELP-UHFFFAOYSA-N 1 2 348.450 3.583 20 30 EHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000164586309 1129982726 /nfs/dbraw/zinc/98/27/26/1129982726.db2.gz OINSMTVEYRANAT-UHFFFAOYSA-N 1 2 346.390 3.540 20 30 EHEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2cc(F)c(F)cc2F)CCO1 ZINC000734301703 1131217434 /nfs/dbraw/zinc/21/74/34/1131217434.db2.gz LMGJMQHRMCIUMN-GFCCVEGCSA-N 1 2 349.356 3.775 20 30 EHEDLO CSc1ccc(OCCO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000742354834 1131708758 /nfs/dbraw/zinc/70/87/58/1131708758.db2.gz UWYONVXOQSWWOZ-UHFFFAOYSA-N 1 2 334.416 3.572 20 30 EHEDLO C=CC[C@@H]([NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F)C(=O)OC ZINC001172578498 1131791541 /nfs/dbraw/zinc/79/15/41/1131791541.db2.gz OMSCGUHVEVLZNB-MEBBXXQBSA-N 1 2 331.790 3.647 20 30 EHEDLO CN(C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000743867013 1131993814 /nfs/dbraw/zinc/99/38/14/1131993814.db2.gz QHZHJHWSXQZNSV-QGZVFWFLSA-N 1 2 347.434 3.529 20 30 EHEDLO CN(C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N)C(=O)OC(C)(C)C ZINC000743867013 1131993823 /nfs/dbraw/zinc/99/38/23/1131993823.db2.gz QHZHJHWSXQZNSV-QGZVFWFLSA-N 1 2 347.434 3.529 20 30 EHEDLO COc1ccccc1[C@@H]([NH2+]C1CCC(CC#N)CC1)c1nnc(C)o1 ZINC001173333578 1132050254 /nfs/dbraw/zinc/05/02/54/1132050254.db2.gz NXMLFGZEPIYJCK-JTTJXQCZSA-N 1 2 340.427 3.538 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000745455133 1132254238 /nfs/dbraw/zinc/25/42/38/1132254238.db2.gz AHAZPAMOFGAYAH-INIZCTEOSA-N 1 2 347.434 3.577 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000745455133 1132254242 /nfs/dbraw/zinc/25/42/42/1132254242.db2.gz AHAZPAMOFGAYAH-INIZCTEOSA-N 1 2 347.434 3.577 20 30 EHEDLO N#Cc1cc(Cl)c(Cl)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174980015 1132534324 /nfs/dbraw/zinc/53/43/24/1132534324.db2.gz LSYMOZNLATVYFP-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO CN(C)c1ccc(Nc2cc(C#N)c(F)cc2Br)c[nH+]1 ZINC001175344355 1132627986 /nfs/dbraw/zinc/62/79/86/1132627986.db2.gz FYNXQRCAKQMRBS-UHFFFAOYSA-N 1 2 335.180 3.664 20 30 EHEDLO C#CC[N@@H+](Cc1c(C)nc2sc(C)nn12)[C@@H]1CCc2ccccc21 ZINC000768129049 1133099313 /nfs/dbraw/zinc/09/93/13/1133099313.db2.gz DMODBMQHWJIOLG-QGZVFWFLSA-N 1 2 336.464 3.530 20 30 EHEDLO C#CC[N@H+](Cc1c(C)nc2sc(C)nn12)[C@@H]1CCc2ccccc21 ZINC000768129049 1133099322 /nfs/dbraw/zinc/09/93/22/1133099322.db2.gz DMODBMQHWJIOLG-QGZVFWFLSA-N 1 2 336.464 3.530 20 30 EHEDLO C[C@H](C(=O)OCCCCC(C)(C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000768718087 1133171682 /nfs/dbraw/zinc/17/16/82/1133171682.db2.gz RKPQKUKIPOJQGM-MRXNPFEDSA-N 1 2 328.456 3.696 20 30 EHEDLO C[C@H](C(=O)OCCCCC(C)(C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000768718087 1133171684 /nfs/dbraw/zinc/17/16/84/1133171684.db2.gz RKPQKUKIPOJQGM-MRXNPFEDSA-N 1 2 328.456 3.696 20 30 EHEDLO CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000769218019 1133246317 /nfs/dbraw/zinc/24/63/17/1133246317.db2.gz SOWZRZMBDLHUPH-FQEVSTJZSA-N 1 2 344.455 3.646 20 30 EHEDLO CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000769218019 1133246321 /nfs/dbraw/zinc/24/63/21/1133246321.db2.gz SOWZRZMBDLHUPH-FQEVSTJZSA-N 1 2 344.455 3.646 20 30 EHEDLO N#Cc1csc(C[NH2+]Cc2cnc(-c3ccccc3F)s2)n1 ZINC001179682051 1133274370 /nfs/dbraw/zinc/27/43/70/1133274370.db2.gz WILGFFHVBJSDOZ-UHFFFAOYSA-N 1 2 330.413 3.567 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cnc4c(F)cccc4c3)CCO2)c1 ZINC001180133398 1133329238 /nfs/dbraw/zinc/32/92/38/1133329238.db2.gz VHLCQLXNTKFENH-HXUWFJFHSA-N 1 2 347.393 3.819 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cnc4c(F)cccc4c3)CCO2)c1 ZINC001180133398 1133329244 /nfs/dbraw/zinc/32/92/44/1133329244.db2.gz VHLCQLXNTKFENH-HXUWFJFHSA-N 1 2 347.393 3.819 20 30 EHEDLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+](CC)C[C@@H](C)C#N ZINC001180239131 1133349215 /nfs/dbraw/zinc/34/92/15/1133349215.db2.gz GZPBLFJRODHWBG-AWEZNQCLSA-N 1 2 327.428 3.635 20 30 EHEDLO CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+](CC)C[C@@H](C)C#N ZINC001180239131 1133349221 /nfs/dbraw/zinc/34/92/21/1133349221.db2.gz GZPBLFJRODHWBG-AWEZNQCLSA-N 1 2 327.428 3.635 20 30 EHEDLO CCOC(=O)Cc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1 ZINC000771860450 1133608589 /nfs/dbraw/zinc/60/85/89/1133608589.db2.gz QSHIVDFOFGUBNN-MDZDMXLPSA-N 1 2 348.402 3.644 20 30 EHEDLO Brc1cncc(N[NH+]=C2CCCNc3ccccc32)c1 ZINC000774395874 1133670817 /nfs/dbraw/zinc/67/08/17/1133670817.db2.gz GAHXCGAMHCBOMG-UHFFFAOYSA-N 1 2 331.217 3.866 20 30 EHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001170051208 1133762800 /nfs/dbraw/zinc/76/28/00/1133762800.db2.gz HCZXHUJDLYXYKD-KRWDZBQOSA-N 1 2 348.874 3.681 20 30 EHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC001170051208 1133762806 /nfs/dbraw/zinc/76/28/06/1133762806.db2.gz HCZXHUJDLYXYKD-KRWDZBQOSA-N 1 2 348.874 3.681 20 30 EHEDLO C=CCCC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)c1ccccc1 ZINC001183850726 1133863812 /nfs/dbraw/zinc/86/38/12/1133863812.db2.gz YOGQDCCHZDKWTD-RBUKOAKNSA-N 1 2 332.463 3.677 20 30 EHEDLO C=CCCC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)c1ccccc1 ZINC001183850726 1133863816 /nfs/dbraw/zinc/86/38/16/1133863816.db2.gz YOGQDCCHZDKWTD-RBUKOAKNSA-N 1 2 332.463 3.677 20 30 EHEDLO C#CC(C)(C)[N@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000787997003 1134062064 /nfs/dbraw/zinc/06/20/64/1134062064.db2.gz FBFKLBBWLWOIGN-UHFFFAOYSA-N 1 2 341.476 3.671 20 30 EHEDLO C#CC(C)(C)[N@@H+](C)Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000787997003 1134062071 /nfs/dbraw/zinc/06/20/71/1134062071.db2.gz FBFKLBBWLWOIGN-UHFFFAOYSA-N 1 2 341.476 3.671 20 30 EHEDLO Cc1c[nH+]c(C)c(Nc2cc(C#N)ccc2I)c1 ZINC001203663400 1134340143 /nfs/dbraw/zinc/34/01/43/1134340143.db2.gz JMZXIFQOSWIKRK-UHFFFAOYSA-N 1 2 349.175 3.918 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001190643937 1134730506 /nfs/dbraw/zinc/73/05/06/1134730506.db2.gz QXFTXRURGYSAJZ-UHFFFAOYSA-N 1 2 332.363 3.526 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001190643937 1134730509 /nfs/dbraw/zinc/73/05/09/1134730509.db2.gz QXFTXRURGYSAJZ-UHFFFAOYSA-N 1 2 332.363 3.526 20 30 EHEDLO COc1ccc(N[NH+]=Cc2cnc(N(C)C)s2)c(C(F)(F)F)c1 ZINC000793112783 1134855880 /nfs/dbraw/zinc/85/58/80/1134855880.db2.gz XDGHIIGZTXIYMZ-UHFFFAOYSA-N 1 2 344.362 3.683 20 30 EHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000793170208 1134866358 /nfs/dbraw/zinc/86/63/58/1134866358.db2.gz YYRCVLDZGSHQSZ-KRWDZBQOSA-N 1 2 338.455 3.529 20 30 EHEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H](CSC)C2)c1=S ZINC000793796822 1134991421 /nfs/dbraw/zinc/99/14/21/1134991421.db2.gz NBIICUWBSSPYFS-CYBMUJFWSA-N 1 2 338.546 3.510 20 30 EHEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H](CSC)C2)c1=S ZINC000793796822 1134991423 /nfs/dbraw/zinc/99/14/23/1134991423.db2.gz NBIICUWBSSPYFS-CYBMUJFWSA-N 1 2 338.546 3.510 20 30 EHEDLO CCCCCCCCCCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804440147 1135077595 /nfs/dbraw/zinc/07/75/95/1135077595.db2.gz ULTHIFULBZQWMD-RTBURBONSA-N 1 2 338.536 3.839 20 30 EHEDLO C#C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)c1ccc(Cl)cc1F ZINC001129739801 1135148947 /nfs/dbraw/zinc/14/89/47/1135148947.db2.gz YWXGAQBQZDHJDJ-MRXNPFEDSA-N 1 2 330.790 3.904 20 30 EHEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=S)Nc1ccccc1C#N ZINC001196312681 1135541805 /nfs/dbraw/zinc/54/18/05/1135541805.db2.gz DQXUZXQHIVIOSO-UHFFFAOYSA-N 1 2 347.447 3.573 20 30 EHEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NN[C@H]2CCSC2)CC1 ZINC000808001243 1135602771 /nfs/dbraw/zinc/60/27/71/1135602771.db2.gz HRQZKWUAHUBTFJ-ZDUSSCGKSA-N 1 2 341.883 3.526 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(CC)cc2)n1)[C@H]1CCCO1 ZINC000775792662 1135746060 /nfs/dbraw/zinc/74/60/60/1135746060.db2.gz SKYSEETUYMXXGE-ZWKOTPCHSA-N 1 2 326.465 3.643 20 30 EHEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccccc2Cl)cs1)[C@@H]1CCCO1 ZINC000775807306 1135755913 /nfs/dbraw/zinc/75/59/13/1135755913.db2.gz QZMUSYXFJZTHSD-HOCLYGCPSA-N 1 2 332.856 3.734 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1F ZINC000809698775 1135868983 /nfs/dbraw/zinc/86/89/83/1135868983.db2.gz IQTYPNQKPDZBFS-INIZCTEOSA-N 1 2 333.790 3.960 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000810094396 1135921244 /nfs/dbraw/zinc/92/12/44/1135921244.db2.gz NPCCVAVICLWGNG-MSOLQXFVSA-N 1 2 346.858 3.776 20 30 EHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000810094396 1135921246 /nfs/dbraw/zinc/92/12/46/1135921246.db2.gz NPCCVAVICLWGNG-MSOLQXFVSA-N 1 2 346.858 3.776 20 30 EHEDLO C#Cc1ccccc1Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000810281929 1135951358 /nfs/dbraw/zinc/95/13/58/1135951358.db2.gz XMBCMLBEUZXKKK-UHFFFAOYSA-N 1 2 340.386 3.554 20 30 EHEDLO CCCCCCCCCCC[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001201631291 1136044902 /nfs/dbraw/zinc/04/49/02/1136044902.db2.gz OMHCSAJJNXIIFP-QGZVFWFLSA-N 1 2 347.540 3.976 20 30 EHEDLO Cc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001202422516 1136139622 /nfs/dbraw/zinc/13/96/22/1136139622.db2.gz MZKZIDQMADVEDM-UHFFFAOYSA-N 1 2 326.425 3.560 20 30 EHEDLO Cc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001202422516 1136139624 /nfs/dbraw/zinc/13/96/24/1136139624.db2.gz MZKZIDQMADVEDM-UHFFFAOYSA-N 1 2 326.425 3.560 20 30 EHEDLO C[C@@H](CC#N)C(=O)OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000850877437 1136314096 /nfs/dbraw/zinc/31/40/96/1136314096.db2.gz BSMZVFZYJXQNIZ-INIZCTEOSA-N 1 2 334.419 3.553 20 30 EHEDLO C[C@@H](C#N)[N@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852481745 1136459625 /nfs/dbraw/zinc/45/96/25/1136459625.db2.gz PBLPVWDAGSALAQ-JYJNAYRXSA-N 1 2 335.492 3.694 20 30 EHEDLO C[C@@H](C#N)[N@@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000852481745 1136459628 /nfs/dbraw/zinc/45/96/28/1136459628.db2.gz PBLPVWDAGSALAQ-JYJNAYRXSA-N 1 2 335.492 3.694 20 30 EHEDLO Fc1cc2[nH]c([N-][NH+]=C3CC[C@H]4CNc5cccc3c54)[nH+]c2cc1F ZINC000814796321 1136505664 /nfs/dbraw/zinc/50/56/64/1136505664.db2.gz TYRXTLCYPMWPPL-VIFPVBQESA-N 1 2 339.349 3.960 20 30 EHEDLO O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001136146201 1136878743 /nfs/dbraw/zinc/87/87/43/1136878743.db2.gz OMLGRNOUNUGAKU-IAGOWNOFSA-N 1 2 333.416 3.613 20 30 EHEDLO O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001136146201 1136878747 /nfs/dbraw/zinc/87/87/47/1136878747.db2.gz OMLGRNOUNUGAKU-IAGOWNOFSA-N 1 2 333.416 3.613 20 30 EHEDLO C[C@H](C[N@H+](C)Cc1ccc(Cl)cc1C#N)NC(=O)OC(C)(C)C ZINC000860095632 1137044110 /nfs/dbraw/zinc/04/41/10/1137044110.db2.gz HOIQLODFPQQFNN-GFCCVEGCSA-N 1 2 337.851 3.557 20 30 EHEDLO C[C@H](C[N@@H+](C)Cc1ccc(Cl)cc1C#N)NC(=O)OC(C)(C)C ZINC000860095632 1137044112 /nfs/dbraw/zinc/04/41/12/1137044112.db2.gz HOIQLODFPQQFNN-GFCCVEGCSA-N 1 2 337.851 3.557 20 30 EHEDLO C[C@@H](C[N@H+](C)Cc1ccc(Cl)cc1C#N)NC(=O)OC(C)(C)C ZINC000860095633 1137044150 /nfs/dbraw/zinc/04/41/50/1137044150.db2.gz HOIQLODFPQQFNN-LBPRGKRZSA-N 1 2 337.851 3.557 20 30 EHEDLO C[C@@H](C[N@@H+](C)Cc1ccc(Cl)cc1C#N)NC(=O)OC(C)(C)C ZINC000860095633 1137044151 /nfs/dbraw/zinc/04/41/51/1137044151.db2.gz HOIQLODFPQQFNN-LBPRGKRZSA-N 1 2 337.851 3.557 20 30 EHEDLO CC[N@H+](C)[C@H](C(=O)OCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000777144419 1137067069 /nfs/dbraw/zinc/06/70/69/1137067069.db2.gz WCWRHSYVPBCORU-FQEVSTJZSA-N 1 2 348.446 3.978 20 30 EHEDLO CC[N@@H+](C)[C@H](C(=O)OCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000777144419 1137067071 /nfs/dbraw/zinc/06/70/71/1137067071.db2.gz WCWRHSYVPBCORU-FQEVSTJZSA-N 1 2 348.446 3.978 20 30 EHEDLO Cc1cc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1Cl ZINC000824949024 1137158871 /nfs/dbraw/zinc/15/88/71/1137158871.db2.gz JKBWATYBXFQDRB-LJQANCHMSA-N 1 2 342.826 3.799 20 30 EHEDLO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1Cl ZINC000824949024 1137158873 /nfs/dbraw/zinc/15/88/73/1137158873.db2.gz JKBWATYBXFQDRB-LJQANCHMSA-N 1 2 342.826 3.799 20 30 EHEDLO CCc1noc([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730998 1137194548 /nfs/dbraw/zinc/19/45/48/1137194548.db2.gz JQUBTCUPCUKDGA-CYBMUJFWSA-N 1 2 330.819 3.537 20 30 EHEDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143730998 1137194549 /nfs/dbraw/zinc/19/45/49/1137194549.db2.gz JQUBTCUPCUKDGA-CYBMUJFWSA-N 1 2 330.819 3.537 20 30 EHEDLO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143731836 1137194959 /nfs/dbraw/zinc/19/49/59/1137194959.db2.gz DXGNLXSXBBIAHZ-INIZCTEOSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143731836 1137194960 /nfs/dbraw/zinc/19/49/60/1137194960.db2.gz DXGNLXSXBBIAHZ-INIZCTEOSA-N 1 2 341.842 3.959 20 30 EHEDLO C[N@@H+](Cc1csc(C2CCCC2)n1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369948 1137213270 /nfs/dbraw/zinc/21/32/70/1137213270.db2.gz OXXWKTZJHNUSTC-GOSISDBHSA-N 1 2 341.480 3.838 20 30 EHEDLO C[N@H+](Cc1csc(C2CCCC2)n1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369948 1137213272 /nfs/dbraw/zinc/21/32/72/1137213272.db2.gz OXXWKTZJHNUSTC-GOSISDBHSA-N 1 2 341.480 3.838 20 30 EHEDLO COC(=O)c1csc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000794723875 1137240725 /nfs/dbraw/zinc/24/07/25/1137240725.db2.gz LTMVWZZZRVNLRJ-NSCUHMNNSA-N 1 2 344.417 3.678 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(C#N)cc2Cl)s1 ZINC000794715287 1137242715 /nfs/dbraw/zinc/24/27/15/1137242715.db2.gz VCTFSCUCUYMEAE-WAYWQWQTSA-N 1 2 331.828 3.626 20 30 EHEDLO C=CC[C@H]([NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1)C(=O)OC ZINC001171142868 1137243649 /nfs/dbraw/zinc/24/36/49/1137243649.db2.gz CRGXFBDNGPDVKV-WFASDCNBSA-N 1 2 328.239 3.558 20 30 EHEDLO C=C(CC)C(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC001144758813 1137343400 /nfs/dbraw/zinc/34/34/00/1137343400.db2.gz NOPVJOJUIDOYGS-UHFFFAOYSA-N 1 2 341.455 3.667 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001171230990 1137355047 /nfs/dbraw/zinc/35/50/47/1137355047.db2.gz ZHSOOBSDUMLUBV-MRXNPFEDSA-N 1 2 328.419 3.691 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001171230990 1137355048 /nfs/dbraw/zinc/35/50/48/1137355048.db2.gz ZHSOOBSDUMLUBV-MRXNPFEDSA-N 1 2 328.419 3.691 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1(Br)CC1 ZINC000846899728 1137374521 /nfs/dbraw/zinc/37/45/21/1137374521.db2.gz RNCHDVPNPYJLEP-UHFFFAOYSA-N 1 2 326.282 3.770 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1(Br)CC1 ZINC000846899728 1137374522 /nfs/dbraw/zinc/37/45/22/1137374522.db2.gz RNCHDVPNPYJLEP-UHFFFAOYSA-N 1 2 326.282 3.770 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C3/CCc4ccc([N+](=O)[O-])cc4C3=O)n21 ZINC000773147870 1137469979 /nfs/dbraw/zinc/46/99/79/1137469979.db2.gz ARBNGIOTVHLHQA-ZROIWOOFSA-N 1 2 333.347 3.763 20 30 EHEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081993 1137531716 /nfs/dbraw/zinc/53/17/16/1137531716.db2.gz FBBGMLNIXNWMCJ-YYAJDYIMSA-N 1 2 335.492 3.835 20 30 EHEDLO C=CCCC[NH2+]c1ccc(N2CC[C@@H](CO)C2)c(Br)c1 ZINC000871850816 1137560576 /nfs/dbraw/zinc/56/05/76/1137560576.db2.gz GCYWYHIUTUTAMZ-CYBMUJFWSA-N 1 2 339.277 3.646 20 30 EHEDLO CC(C)[C@H]1[N@H+](Cn2nc(CC#N)n(C)c2=S)CC12CCCCCC2 ZINC000872741457 1137583581 /nfs/dbraw/zinc/58/35/81/1137583581.db2.gz FFQBGKJNJDAIBA-MRXNPFEDSA-N 1 2 347.532 3.655 20 30 EHEDLO CC(C)[C@H]1[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC12CCCCCC2 ZINC000872741457 1137583582 /nfs/dbraw/zinc/58/35/82/1137583582.db2.gz FFQBGKJNJDAIBA-MRXNPFEDSA-N 1 2 347.532 3.655 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1nc2ccccc2[nH]1 ZINC000876985351 1137666865 /nfs/dbraw/zinc/66/68/65/1137666865.db2.gz PVDMHRBONMIYLT-INIZCTEOSA-N 1 2 339.830 3.970 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879563939 1137751302 /nfs/dbraw/zinc/75/13/02/1137751302.db2.gz FTXFNDNZKGQCKT-GXTWGEPZSA-N 1 2 337.286 3.506 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879563939 1137751303 /nfs/dbraw/zinc/75/13/03/1137751303.db2.gz FTXFNDNZKGQCKT-GXTWGEPZSA-N 1 2 337.286 3.506 20 30 EHEDLO C=CCCC[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1 ZINC000883035733 1137842283 /nfs/dbraw/zinc/84/22/83/1137842283.db2.gz NEJXFYGHFKPLPF-SFHVURJKSA-N 1 2 326.444 3.670 20 30 EHEDLO CC(C)(C)CN(CCC#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000104626675 1137878939 /nfs/dbraw/zinc/87/89/39/1137878939.db2.gz FGLSRPSUAZEPBH-JXMROGBWSA-N 1 2 336.439 3.674 20 30 EHEDLO C[C@@H](C#N)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000005280991 1137884929 /nfs/dbraw/zinc/88/49/29/1137884929.db2.gz UYEVVLNVJKFVQA-LBPRGKRZSA-N 1 2 347.875 3.521 20 30 EHEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000107325506 1137886406 /nfs/dbraw/zinc/88/64/06/1137886406.db2.gz DTEZTEPJUZMPAY-UHFFFAOYSA-N 1 2 349.438 3.655 20 30 EHEDLO C#CCCCCCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800103645 1137897847 /nfs/dbraw/zinc/89/78/47/1137897847.db2.gz QHPLJFVMMKOWCP-KRWDZBQOSA-N 1 2 327.472 3.509 20 30 EHEDLO N#Cc1cccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)c1 ZINC000121073383 1137954857 /nfs/dbraw/zinc/95/48/57/1137954857.db2.gz DQTKPPRGOVUUFT-UHFFFAOYSA-N 1 2 342.446 3.556 20 30 EHEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCC1 ZINC000886062753 1138037245 /nfs/dbraw/zinc/03/72/45/1138037245.db2.gz WSJSTYHMIDJAIR-CQSZACIVSA-N 1 2 343.858 3.624 20 30 EHEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCC1 ZINC000886062753 1138037247 /nfs/dbraw/zinc/03/72/47/1138037247.db2.gz WSJSTYHMIDJAIR-CQSZACIVSA-N 1 2 343.858 3.624 20 30 EHEDLO C=C(Cl)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000058165362 1138062209 /nfs/dbraw/zinc/06/22/09/1138062209.db2.gz JJNHPBAVMRPBOZ-LLVKDONJSA-N 1 2 340.855 3.874 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1C#N ZINC000135118953 1138727146 /nfs/dbraw/zinc/72/71/46/1138727146.db2.gz OHDCDQPKAKFFPE-UHFFFAOYSA-N 1 2 327.453 3.534 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1C#N ZINC000135118953 1138727148 /nfs/dbraw/zinc/72/71/48/1138727148.db2.gz OHDCDQPKAKFFPE-UHFFFAOYSA-N 1 2 327.453 3.534 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000184082357 1140078428 /nfs/dbraw/zinc/07/84/28/1140078428.db2.gz HIFAUPXVTGUIJL-HNNXBMFYSA-N 1 2 347.260 3.725 20 30 EHEDLO CCc1nc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cs1 ZINC000184740512 1140118291 /nfs/dbraw/zinc/11/82/91/1140118291.db2.gz QHIWWDGZAKDXEV-JTQLQIEISA-N 1 2 348.497 3.545 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184894361 1140124821 /nfs/dbraw/zinc/12/48/21/1140124821.db2.gz KMWMQCWKVPVCBA-CVEARBPZSA-N 1 2 341.455 3.805 20 30 EHEDLO C=CC[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000186418396 1140203280 /nfs/dbraw/zinc/20/32/80/1140203280.db2.gz LTAAUAPBAVGFSO-IBGZPJMESA-N 1 2 335.451 3.658 20 30 EHEDLO Cc1cnc([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)s1 ZINC000191838100 1140489255 /nfs/dbraw/zinc/48/92/55/1140489255.db2.gz XPPWNGKQCIGCCZ-JTQLQIEISA-N 1 2 336.258 3.937 20 30 EHEDLO N#Cc1ccccc1C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193137785 1140565279 /nfs/dbraw/zinc/56/52/79/1140565279.db2.gz BCVDWVDMVARVPP-UHFFFAOYSA-N 1 2 326.827 3.695 20 30 EHEDLO CC1(C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)Cc2ccccc21 ZINC000270420527 1141221323 /nfs/dbraw/zinc/22/13/23/1141221323.db2.gz ZWEYSQDZMOSQEO-UHFFFAOYSA-N 1 2 344.418 3.902 20 30 EHEDLO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)Cc2ccccc21 ZINC000270420527 1141221326 /nfs/dbraw/zinc/22/13/26/1141221326.db2.gz ZWEYSQDZMOSQEO-UHFFFAOYSA-N 1 2 344.418 3.902 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C1CC1 ZINC000271493431 1141380072 /nfs/dbraw/zinc/38/00/72/1141380072.db2.gz UXNQSSFMWWTXNB-UHFFFAOYSA-N 1 2 330.453 3.978 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2cccc(OC)c2OC)n1)C1CC1 ZINC000271493431 1141380080 /nfs/dbraw/zinc/38/00/80/1141380080.db2.gz UXNQSSFMWWTXNB-UHFFFAOYSA-N 1 2 330.453 3.978 20 30 EHEDLO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1cccc(O)c1 ZINC000348539708 1141548734 /nfs/dbraw/zinc/54/87/34/1141548734.db2.gz POLJLDIJTAWTKP-CQSZACIVSA-N 1 2 348.406 3.897 20 30 EHEDLO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)c1cccc(O)c1 ZINC000348539708 1141548739 /nfs/dbraw/zinc/54/87/39/1141548739.db2.gz POLJLDIJTAWTKP-CQSZACIVSA-N 1 2 348.406 3.897 20 30 EHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000097941245 219061495 /nfs/dbraw/zinc/06/14/95/219061495.db2.gz VBHWTRPPXVWFCH-SFHVURJKSA-N 1 2 329.407 3.680 20 30 EHEDLO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000097941245 219061498 /nfs/dbraw/zinc/06/14/98/219061498.db2.gz VBHWTRPPXVWFCH-SFHVURJKSA-N 1 2 329.407 3.680 20 30 EHEDLO C=CC[NH+](CC=C)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000098072127 219078499 /nfs/dbraw/zinc/07/84/99/219078499.db2.gz AZWFWHUEMAWIBO-UHFFFAOYSA-N 1 2 337.448 3.826 20 30 EHEDLO O=C(CCc1ccncc1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328625182 564137039 /nfs/dbraw/zinc/13/70/39/564137039.db2.gz CXDOIHWYAGLRCK-HOTGVXAUSA-N 1 2 347.459 3.645 20 30 EHEDLO O=C(CCc1ccncc1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328625182 564137040 /nfs/dbraw/zinc/13/70/40/564137040.db2.gz CXDOIHWYAGLRCK-HOTGVXAUSA-N 1 2 347.459 3.645 20 30 EHEDLO C=CC[N@@H+](Cc1cscc1Cl)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914944 608632383 /nfs/dbraw/zinc/63/23/83/608632383.db2.gz PUCBZHHYYFKRLM-UHFFFAOYSA-N 1 2 345.859 3.770 20 30 EHEDLO C=CC[N@H+](Cc1cscc1Cl)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914944 608632385 /nfs/dbraw/zinc/63/23/85/608632385.db2.gz PUCBZHHYYFKRLM-UHFFFAOYSA-N 1 2 345.859 3.770 20 30 EHEDLO C=C(C)[C@@H](CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)OCC ZINC000339398182 1014337424 /nfs/dbraw/zinc/33/74/24/1014337424.db2.gz BWHGZXFSTGZEGL-MRXNPFEDSA-N 1 2 333.819 3.836 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)cc1Cl ZINC000471168622 1015220157 /nfs/dbraw/zinc/22/01/57/1015220157.db2.gz IUXCFBHXXXYUOP-QGZVFWFLSA-N 1 2 325.799 3.597 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)cc1Cl ZINC000471168622 1015220167 /nfs/dbraw/zinc/22/01/67/1015220167.db2.gz IUXCFBHXXXYUOP-QGZVFWFLSA-N 1 2 325.799 3.597 20 30 EHEDLO C=CCOc1cccc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000179558958 1015444317 /nfs/dbraw/zinc/44/43/17/1015444317.db2.gz MXUQCGYUGIHLLG-UHFFFAOYSA-N 1 2 349.434 3.510 20 30 EHEDLO C=CCOc1cccc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000179558958 1015444320 /nfs/dbraw/zinc/44/43/20/1015444320.db2.gz MXUQCGYUGIHLLG-UHFFFAOYSA-N 1 2 349.434 3.510 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000181439117 1016661646 /nfs/dbraw/zinc/66/16/46/1016661646.db2.gz QRZMVNCPNRHZSO-AWEZNQCLSA-N 1 2 337.398 3.675 20 30 EHEDLO N#CCc1ccc(C[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000343758726 1032238105 /nfs/dbraw/zinc/23/81/05/1032238105.db2.gz PSEGUIMOYQEQFS-UHFFFAOYSA-N 1 2 346.409 3.636 20 30 EHEDLO N#CCc1ccc(C[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000343758726 1032238113 /nfs/dbraw/zinc/23/81/13/1032238113.db2.gz PSEGUIMOYQEQFS-UHFFFAOYSA-N 1 2 346.409 3.636 20 30 EHEDLO N#CC1(F)CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000449314764 1032446600 /nfs/dbraw/zinc/44/66/00/1032446600.db2.gz FFAOODHKVUHUSZ-UHFFFAOYSA-N 1 2 348.219 3.825 20 30 EHEDLO N#Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1Cl ZINC000537165564 1032545245 /nfs/dbraw/zinc/54/52/45/1032545245.db2.gz LXBTUJZOCDHOQU-UHFFFAOYSA-N 1 2 340.745 3.789 20 30 EHEDLO C=CCCC[C@@H](C)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000537253913 1032584560 /nfs/dbraw/zinc/58/45/60/1032584560.db2.gz ZZQFAASENPIDKY-IAGOWNOFSA-N 1 2 345.487 3.946 20 30 EHEDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000177112624 1017580702 /nfs/dbraw/zinc/58/07/02/1017580702.db2.gz OQILIFZGIVAKLQ-UHFFFAOYSA-N 1 2 333.482 3.677 20 30 EHEDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)s1 ZINC000177112624 1017580706 /nfs/dbraw/zinc/58/07/06/1017580706.db2.gz OQILIFZGIVAKLQ-UHFFFAOYSA-N 1 2 333.482 3.677 20 30 EHEDLO COc1ccc(CNc2cc(CC#N)cc[nH+]2)cc1Br ZINC000545220288 1033450197 /nfs/dbraw/zinc/45/01/97/1033450197.db2.gz VYRSDBOUNSGXJV-UHFFFAOYSA-N 1 2 332.201 3.531 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1C)Cc1cccc(C#N)c1 ZINC000345194204 1020015986 /nfs/dbraw/zinc/01/59/86/1020015986.db2.gz JZIQQWSWMMXZHG-UHFFFAOYSA-N 1 2 347.462 3.513 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1C)Cc1cccc(C#N)c1 ZINC000345194204 1020016000 /nfs/dbraw/zinc/01/60/00/1020016000.db2.gz JZIQQWSWMMXZHG-UHFFFAOYSA-N 1 2 347.462 3.513 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nccs3)CC2)cc1Cl ZINC001204548592 1020160297 /nfs/dbraw/zinc/16/02/97/1020160297.db2.gz SADCETDXTZHPFG-UHFFFAOYSA-N 1 2 333.844 3.712 20 30 EHEDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000135099415 1020766787 /nfs/dbraw/zinc/76/67/87/1020766787.db2.gz ZKCZQVSTMNUKIS-VBKZILBWSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000135099415 1020766793 /nfs/dbraw/zinc/76/67/93/1020766793.db2.gz ZKCZQVSTMNUKIS-VBKZILBWSA-N 1 2 340.398 3.668 20 30 EHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000069450617 1020781779 /nfs/dbraw/zinc/78/17/79/1020781779.db2.gz LDCKUZMRGAGBEI-LBPRGKRZSA-N 1 2 339.892 3.564 20 30 EHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000069450617 1020781787 /nfs/dbraw/zinc/78/17/87/1020781787.db2.gz LDCKUZMRGAGBEI-LBPRGKRZSA-N 1 2 339.892 3.564 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(Br)cc1 ZINC000894870768 1021545500 /nfs/dbraw/zinc/54/55/00/1021545500.db2.gz OVUNCXXGYOHUPE-KRWDZBQOSA-N 1 2 344.256 3.520 20 30 EHEDLO Clc1ccccc1C#CC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000441147642 1022027188 /nfs/dbraw/zinc/02/71/88/1022027188.db2.gz REFIECKVZIHQTJ-GOSISDBHSA-N 1 2 329.827 3.966 20 30 EHEDLO Clc1ccccc1C#CC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000441147642 1022027203 /nfs/dbraw/zinc/02/72/03/1022027203.db2.gz REFIECKVZIHQTJ-GOSISDBHSA-N 1 2 329.827 3.966 20 30 EHEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187554562 1022334527 /nfs/dbraw/zinc/33/45/27/1022334527.db2.gz HOIQQJOUEPIIDD-CQSZACIVSA-N 1 2 334.847 3.765 20 30 EHEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187554562 1022334541 /nfs/dbraw/zinc/33/45/41/1022334541.db2.gz HOIQQJOUEPIIDD-CQSZACIVSA-N 1 2 334.847 3.765 20 30 EHEDLO C=C[C@H]1CCCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000458894399 1022445399 /nfs/dbraw/zinc/44/53/99/1022445399.db2.gz YMQSOTICMOHXSQ-AWEZNQCLSA-N 1 2 344.846 3.776 20 30 EHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2CCC(C(C)(C)C)CC2)C1 ZINC000328881704 1022526102 /nfs/dbraw/zinc/52/61/02/1022526102.db2.gz WQCJSSANUZTHRM-AQFXKWCLSA-N 1 2 346.519 3.976 20 30 EHEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000330804181 1022679180 /nfs/dbraw/zinc/67/91/80/1022679180.db2.gz BJRXJVSYQKJSPI-PELKAZGASA-N 1 2 346.645 3.867 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776146 1022968265 /nfs/dbraw/zinc/96/82/65/1022968265.db2.gz UDAJUNDWQZSADH-CQSZACIVSA-N 1 2 327.453 3.696 20 30 EHEDLO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776146 1022968272 /nfs/dbraw/zinc/96/82/72/1022968272.db2.gz UDAJUNDWQZSADH-CQSZACIVSA-N 1 2 327.453 3.696 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cc(C#N)cs2)c1Cl ZINC000933772658 1022969920 /nfs/dbraw/zinc/96/99/20/1022969920.db2.gz SLEBEBXEEAIPQY-UHFFFAOYSA-N 1 2 334.828 3.692 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1Cl ZINC000933772658 1022969926 /nfs/dbraw/zinc/96/99/26/1022969926.db2.gz SLEBEBXEEAIPQY-UHFFFAOYSA-N 1 2 334.828 3.692 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610632953 1023041672 /nfs/dbraw/zinc/04/16/72/1023041672.db2.gz BTAYSXJESLYTNI-ZWKOTPCHSA-N 1 2 345.406 3.638 20 30 EHEDLO C[C@H](c1nc2ccccc2s1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602758912 1033131531 /nfs/dbraw/zinc/13/15/31/1033131531.db2.gz JJDMJKCWDYDASC-OAHLLOKOSA-N 1 2 340.496 3.669 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000128249150 1033149059 /nfs/dbraw/zinc/14/90/59/1033149059.db2.gz ZMIKQHOOUVLWOP-CYBMUJFWSA-N 1 2 332.329 3.663 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000341983201 1023733338 /nfs/dbraw/zinc/73/33/38/1023733338.db2.gz FFAKMGGERLWVSJ-UHFFFAOYSA-N 1 2 327.453 3.562 20 30 EHEDLO C=C(C)C[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000181311542 1023900970 /nfs/dbraw/zinc/90/09/70/1023900970.db2.gz GKMRZWUUTSMPSP-UHFFFAOYSA-N 1 2 337.395 3.535 20 30 EHEDLO C=C(C)C[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000181311542 1023900974 /nfs/dbraw/zinc/90/09/74/1023900974.db2.gz GKMRZWUUTSMPSP-UHFFFAOYSA-N 1 2 337.395 3.535 20 30 EHEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCCc2occc2C1 ZINC000329681522 1024062647 /nfs/dbraw/zinc/06/26/47/1024062647.db2.gz YIECGZPCQRQDMT-NVXWUHKLSA-N 1 2 334.460 3.580 20 30 EHEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCCc2occc2C1 ZINC000329681522 1024062659 /nfs/dbraw/zinc/06/26/59/1024062659.db2.gz YIECGZPCQRQDMT-NVXWUHKLSA-N 1 2 334.460 3.580 20 30 EHEDLO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc(C#N)c3)co2)cc1 ZINC000026331328 1033186007 /nfs/dbraw/zinc/18/60/07/1033186007.db2.gz BNNZXRUEPLWEKQ-UHFFFAOYSA-N 1 2 333.391 3.854 20 30 EHEDLO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(C#N)c3)co2)cc1 ZINC000026331328 1033186017 /nfs/dbraw/zinc/18/60/17/1033186017.db2.gz BNNZXRUEPLWEKQ-UHFFFAOYSA-N 1 2 333.391 3.854 20 30 EHEDLO C=C[C@H](CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000134843038 1024183219 /nfs/dbraw/zinc/18/32/19/1024183219.db2.gz SJQSXLSRBHHQRG-RTBURBONSA-N 1 2 349.478 3.647 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCC2(CCCCC2)CC1 ZINC000329879404 1024232099 /nfs/dbraw/zinc/23/20/99/1024232099.db2.gz MESKSSRPTSSVMA-MRXNPFEDSA-N 1 2 330.476 3.548 20 30 EHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330026029 1024294447 /nfs/dbraw/zinc/29/44/47/1024294447.db2.gz LBBCMJDESJYODG-LBPRGKRZSA-N 1 2 349.381 3.681 20 30 EHEDLO N#Cc1cnc(N2CCC(Nc3cccc[nH+]3)CC2)c2sccc21 ZINC000895346081 1024343232 /nfs/dbraw/zinc/34/32/32/1024343232.db2.gz CPBTVQGCXSTLRN-UHFFFAOYSA-N 1 2 335.436 3.644 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000550562046 1024382863 /nfs/dbraw/zinc/38/28/63/1024382863.db2.gz OPMJXOZHOKOOEJ-KRWDZBQOSA-N 1 2 348.512 3.650 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000550562046 1024382876 /nfs/dbraw/zinc/38/28/76/1024382876.db2.gz OPMJXOZHOKOOEJ-KRWDZBQOSA-N 1 2 348.512 3.650 20 30 EHEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000602862151 1033214880 /nfs/dbraw/zinc/21/48/80/1033214880.db2.gz LGSWXDSPUXGBJK-XHDPSFHLSA-N 1 2 340.254 3.549 20 30 EHEDLO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346202262 1024524027 /nfs/dbraw/zinc/52/40/27/1024524027.db2.gz YBPZBQHARCSTQI-INIZCTEOSA-N 1 2 340.858 3.567 20 30 EHEDLO Clc1ccccc1C#CC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000346202262 1024524037 /nfs/dbraw/zinc/52/40/37/1024524037.db2.gz YBPZBQHARCSTQI-INIZCTEOSA-N 1 2 340.858 3.567 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000025438128 1024959254 /nfs/dbraw/zinc/95/92/54/1024959254.db2.gz YNDVMPJIJKXXQX-UHFFFAOYSA-N 1 2 341.405 3.544 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000025438128 1024959263 /nfs/dbraw/zinc/95/92/63/1024959263.db2.gz YNDVMPJIJKXXQX-UHFFFAOYSA-N 1 2 341.405 3.544 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)cc1OC ZINC000277415981 1025027195 /nfs/dbraw/zinc/02/71/95/1025027195.db2.gz MEBDNYOHIJRUOS-ZIAGYGMSSA-N 1 2 344.459 3.742 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508318383 1025032953 /nfs/dbraw/zinc/03/29/53/1025032953.db2.gz UALWPLQLZHDSDT-QZTJIDSGSA-N 1 2 344.499 3.720 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508318383 1025032962 /nfs/dbraw/zinc/03/29/62/1025032962.db2.gz UALWPLQLZHDSDT-QZTJIDSGSA-N 1 2 344.499 3.720 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000027775781 1025213938 /nfs/dbraw/zinc/21/39/38/1025213938.db2.gz DSPQQCIDXXJHDG-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000027775781 1025213948 /nfs/dbraw/zinc/21/39/48/1025213948.db2.gz DSPQQCIDXXJHDG-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000346848184 1025218025 /nfs/dbraw/zinc/21/80/25/1025218025.db2.gz IKLVYDUWUWFJER-OAHLLOKOSA-N 1 2 340.858 3.798 20 30 EHEDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000046526480 1033274013 /nfs/dbraw/zinc/27/40/13/1033274013.db2.gz FLSZFGUEWMPEDM-UHFFFAOYSA-N 1 2 341.842 3.899 20 30 EHEDLO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000046526480 1033274023 /nfs/dbraw/zinc/27/40/23/1033274023.db2.gz FLSZFGUEWMPEDM-UHFFFAOYSA-N 1 2 341.842 3.899 20 30 EHEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(N2CCCC2=O)c1 ZINC000428325033 1025364060 /nfs/dbraw/zinc/36/40/60/1025364060.db2.gz MAKDSPPVBJSAAK-CQSZACIVSA-N 1 2 337.398 3.675 20 30 EHEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)s1 ZINC000425494368 1025475923 /nfs/dbraw/zinc/47/59/23/1025475923.db2.gz XHFQVLZOUXTULH-LBPRGKRZSA-N 1 2 343.452 3.582 20 30 EHEDLO C=CCCCN(CC)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000896479083 1025485132 /nfs/dbraw/zinc/48/51/32/1025485132.db2.gz KEVHRXVEIWZIOQ-SFHVURJKSA-N 1 2 326.444 3.622 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000121047503 1025508503 /nfs/dbraw/zinc/50/85/03/1025508503.db2.gz AIOZFXRHCFQYTB-JLTOFOAXSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000121047503 1025508518 /nfs/dbraw/zinc/50/85/18/1025508518.db2.gz AIOZFXRHCFQYTB-JLTOFOAXSA-N 1 2 340.398 3.668 20 30 EHEDLO Cc1ncc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c(C)n1 ZINC000329361670 1025779274 /nfs/dbraw/zinc/77/92/74/1025779274.db2.gz COLKIOIOKMNVNK-UHFFFAOYSA-N 1 2 347.422 3.930 20 30 EHEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnc3ccc(Cl)cc31)C2 ZINC000896660424 1025799750 /nfs/dbraw/zinc/79/97/50/1025799750.db2.gz ZUFWEVLPEZQTJC-UHFFFAOYSA-N 1 2 337.814 3.539 20 30 EHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000127470087 1025966802 /nfs/dbraw/zinc/96/68/02/1025966802.db2.gz GAGZOQPCBJDPQB-MLGOLLRUSA-N 1 2 343.818 3.523 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCC1 ZINC000665587400 1026106230 /nfs/dbraw/zinc/10/62/30/1026106230.db2.gz ODBPJUIKNLVHPK-UHFFFAOYSA-N 1 2 330.476 3.756 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c(F)c1 ZINC000347327483 1027275511 /nfs/dbraw/zinc/27/55/11/1027275511.db2.gz CIRLYOFHAUWUMU-NVXWUHKLSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c(F)c1 ZINC000347327483 1027275517 /nfs/dbraw/zinc/27/55/17/1027275517.db2.gz CIRLYOFHAUWUMU-NVXWUHKLSA-N 1 2 342.439 3.698 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(C2CCCCC2)no1 ZINC000273348607 1027388799 /nfs/dbraw/zinc/38/87/99/1027388799.db2.gz XSCAVMCCYLOHKB-AWEZNQCLSA-N 1 2 340.427 3.870 20 30 EHEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422201824 1027633895 /nfs/dbraw/zinc/63/38/95/1027633895.db2.gz HAJNNLZPGAGNLN-UHFFFAOYSA-N 1 2 327.403 3.735 20 30 EHEDLO N#Cc1ccccc1CNc1c[nH+]c2c(F)cc(Br)cn12 ZINC001167637042 1028213775 /nfs/dbraw/zinc/21/37/75/1028213775.db2.gz DKIOOWIIUFFSJV-UHFFFAOYSA-N 1 2 345.175 3.720 20 30 EHEDLO N#CCSc1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000079395526 1028675341 /nfs/dbraw/zinc/67/53/41/1028675341.db2.gz UIEHEHWSYKUUPN-UHFFFAOYSA-N 1 2 334.404 3.740 20 30 EHEDLO C=C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000179157332 1028720118 /nfs/dbraw/zinc/72/01/18/1028720118.db2.gz LAIXOEWTQBRQOJ-GOSISDBHSA-N 1 2 331.419 3.848 20 30 EHEDLO COc1ccccc1-c1csc([C@H]2CCC[N@H+](CCC#N)C2)n1 ZINC000278067230 1028772430 /nfs/dbraw/zinc/77/24/30/1028772430.db2.gz GBIDMCOEKMTJIH-AWEZNQCLSA-N 1 2 327.453 3.912 20 30 EHEDLO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](CCC#N)C2)n1 ZINC000278067230 1028772448 /nfs/dbraw/zinc/77/24/48/1028772448.db2.gz GBIDMCOEKMTJIH-AWEZNQCLSA-N 1 2 327.453 3.912 20 30 EHEDLO Cc1nnc(SCc2c[nH+]cn2Cc2ccccc2)c(C#N)c1C ZINC000445598304 1028981225 /nfs/dbraw/zinc/98/12/25/1028981225.db2.gz XRIRXQPKLBKEFZ-UHFFFAOYSA-N 1 2 335.436 3.502 20 30 EHEDLO C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532904399 1029022343 /nfs/dbraw/zinc/02/23/43/1029022343.db2.gz WPEAALZMCMHWBO-IBGZPJMESA-N 1 2 335.451 3.514 20 30 EHEDLO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532904399 1029022352 /nfs/dbraw/zinc/02/23/52/1029022352.db2.gz WPEAALZMCMHWBO-IBGZPJMESA-N 1 2 335.451 3.514 20 30 EHEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1c(F)cccc1F ZINC000271837867 1029194187 /nfs/dbraw/zinc/19/41/87/1029194187.db2.gz YCLLJCVJUUVIER-CQSZACIVSA-N 1 2 343.377 3.562 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272609362 1029533238 /nfs/dbraw/zinc/53/32/38/1029533238.db2.gz SBLPNWKXYWALPY-LBPRGKRZSA-N 1 2 339.361 3.658 20 30 EHEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1c1ccccc1 ZINC000248344725 1029695965 /nfs/dbraw/zinc/69/59/65/1029695965.db2.gz LYEDHUCZTPWYMQ-IFXJQAMLSA-N 1 2 330.391 3.801 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1c1ccccc1 ZINC000248344725 1029695973 /nfs/dbraw/zinc/69/59/73/1029695973.db2.gz LYEDHUCZTPWYMQ-IFXJQAMLSA-N 1 2 330.391 3.801 20 30 EHEDLO Clc1ccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)nc1 ZINC000446763022 1029793703 /nfs/dbraw/zinc/79/37/03/1029793703.db2.gz SRZZKXNJAQPGGQ-UHFFFAOYSA-N 1 2 346.261 3.562 20 30 EHEDLO CC[N@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000127626713 1029938240 /nfs/dbraw/zinc/93/82/40/1029938240.db2.gz SHQLAWAVGHWPCR-UHFFFAOYSA-N 1 2 331.423 3.670 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000127626713 1029938255 /nfs/dbraw/zinc/93/82/55/1029938255.db2.gz SHQLAWAVGHWPCR-UHFFFAOYSA-N 1 2 331.423 3.670 20 30 EHEDLO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000525893209 1030220240 /nfs/dbraw/zinc/22/02/40/1030220240.db2.gz AZAVIRCHFNOSSV-IBGZPJMESA-N 1 2 326.827 3.959 20 30 EHEDLO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc(C#N)cc2Cl)CCO1 ZINC000525893209 1030220253 /nfs/dbraw/zinc/22/02/53/1030220253.db2.gz AZAVIRCHFNOSSV-IBGZPJMESA-N 1 2 326.827 3.959 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000532153548 1030441766 /nfs/dbraw/zinc/44/17/66/1030441766.db2.gz VYPNIWCTXRGUEB-XLIONFOSSA-N 1 2 339.483 3.583 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000532153548 1030441772 /nfs/dbraw/zinc/44/17/72/1030441772.db2.gz VYPNIWCTXRGUEB-XLIONFOSSA-N 1 2 339.483 3.583 20 30 EHEDLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3cc(C#N)cs3)n2)ccc1F ZINC000483660113 1031267355 /nfs/dbraw/zinc/26/73/55/1031267355.db2.gz WYMFOQMTUJVOES-NSHDSACASA-N 1 2 342.399 3.968 20 30 EHEDLO N#CC1CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000449017630 1032035986 /nfs/dbraw/zinc/03/59/86/1032035986.db2.gz KVLZGHVNWYTEEE-UHFFFAOYSA-N 1 2 330.229 3.733 20 30 EHEDLO N#CCc1cccc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1 ZINC000603034301 1033309894 /nfs/dbraw/zinc/30/98/94/1033309894.db2.gz VXSTZUFSQZIUKL-QAQDUYKDSA-N 1 2 349.438 3.692 20 30 EHEDLO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3O)CC2)cc1 ZINC000898218714 1033374361 /nfs/dbraw/zinc/37/43/61/1033374361.db2.gz NLTZTHYBDCTTHU-UHFFFAOYSA-N 1 2 341.842 3.676 20 30 EHEDLO CC(C)(C#N)C[C@H](O)CNc1ccc2[nH]c(-c3ccccc3)[nH+]c2c1 ZINC000598728932 1033421277 /nfs/dbraw/zinc/42/12/77/1033421277.db2.gz GOICMKVUGPMRFU-INIZCTEOSA-N 1 2 334.423 3.943 20 30 EHEDLO COC(=O)c1cnc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594518877 1033425440 /nfs/dbraw/zinc/42/54/40/1033425440.db2.gz PZFCIZWDGVGBIC-LBPRGKRZSA-N 1 2 341.436 3.531 20 30 EHEDLO N#Cc1ccccc1/C=C/C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000065729438 1033851093 /nfs/dbraw/zinc/85/10/93/1033851093.db2.gz OUKUOJFQFRYCMO-VMPITWQZSA-N 1 2 332.338 3.535 20 30 EHEDLO Cc1cccn2cc(CC(=O)Nc3cccc(OCCCC#N)c3)[nH+]c12 ZINC000608783228 1033886804 /nfs/dbraw/zinc/88/68/04/1033886804.db2.gz JSCQQHBUJWJLTJ-UHFFFAOYSA-N 1 2 348.406 3.507 20 30 EHEDLO Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@H](CC#N)C3)nc(N)c2c1C ZINC000595620721 1033902197 /nfs/dbraw/zinc/90/21/97/1033902197.db2.gz PETGCPOFFGBWRM-WCQYABFASA-N 1 2 329.473 3.577 20 30 EHEDLO Cc1sc2nc([C@H](C)[N@H+]3CCC[C@H](CC#N)C3)nc(N)c2c1C ZINC000595620721 1033902210 /nfs/dbraw/zinc/90/22/10/1033902210.db2.gz PETGCPOFFGBWRM-WCQYABFASA-N 1 2 329.473 3.577 20 30 EHEDLO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595610499 1033919479 /nfs/dbraw/zinc/91/94/79/1033919479.db2.gz ZVNPGAKIDXMBNO-CQSZACIVSA-N 1 2 327.453 3.944 20 30 EHEDLO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC000595610499 1033919489 /nfs/dbraw/zinc/91/94/89/1033919489.db2.gz ZVNPGAKIDXMBNO-CQSZACIVSA-N 1 2 327.453 3.944 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000595713868 1033957259 /nfs/dbraw/zinc/95/72/59/1033957259.db2.gz RXRMIOGFRMRWFP-HNNXBMFYSA-N 1 2 346.356 3.747 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000595713868 1033957274 /nfs/dbraw/zinc/95/72/74/1033957274.db2.gz RXRMIOGFRMRWFP-HNNXBMFYSA-N 1 2 346.356 3.747 20 30 EHEDLO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)c(Br)cc1F ZINC000599542556 1034001513 /nfs/dbraw/zinc/00/15/13/1034001513.db2.gz WAZOFQZZDIGWCT-ZJUUUORDSA-N 1 2 342.187 3.821 20 30 EHEDLO N#CCc1ccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000599659358 1034093311 /nfs/dbraw/zinc/09/33/11/1034093311.db2.gz ICJIZTSDKDKTTK-UHFFFAOYSA-N 1 2 344.462 3.552 20 30 EHEDLO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000119523076 1034178189 /nfs/dbraw/zinc/17/81/89/1034178189.db2.gz TUUSFXUHSGVZHW-DLBZAZTESA-N 1 2 340.448 3.806 20 30 EHEDLO COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000119523076 1034178203 /nfs/dbraw/zinc/17/82/03/1034178203.db2.gz TUUSFXUHSGVZHW-DLBZAZTESA-N 1 2 340.448 3.806 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2ccsc2)CC1 ZINC000459426600 1034588526 /nfs/dbraw/zinc/58/85/26/1034588526.db2.gz MJPJJMNOCQWDHI-UHFFFAOYSA-N 1 2 327.409 3.908 20 30 EHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000584476211 1034847755 /nfs/dbraw/zinc/84/77/55/1034847755.db2.gz UGYIUDUIOJHVNZ-ZDUSSCGKSA-N 1 2 337.261 3.759 20 30 EHEDLO C[C@@]1(C#N)CCC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000612406919 1034897580 /nfs/dbraw/zinc/89/75/80/1034897580.db2.gz XCXSOUNQVJOZIX-KRWDZBQOSA-N 1 2 347.256 3.851 20 30 EHEDLO C[C@@]1(C#N)CCC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000612406919 1034897590 /nfs/dbraw/zinc/89/75/90/1034897590.db2.gz XCXSOUNQVJOZIX-KRWDZBQOSA-N 1 2 347.256 3.851 20 30 EHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000636156999 1035270031 /nfs/dbraw/zinc/27/00/31/1035270031.db2.gz YTSVLUBBGMVYEH-HZSPNIEDSA-N 1 2 329.366 3.628 20 30 EHEDLO COc1ccc(-c2nc(CNc3cc(CC#N)cc[nH+]3)cs2)cc1 ZINC000613443544 1035911642 /nfs/dbraw/zinc/91/16/42/1035911642.db2.gz QEXUSZWJSXRWQS-UHFFFAOYSA-N 1 2 336.420 3.892 20 30 EHEDLO C[N@H+](Cc1cc(Cl)cc2c1OCC2)Cc1cc(C#N)ccc1F ZINC000541196229 1036087262 /nfs/dbraw/zinc/08/72/62/1036087262.db2.gz OSHFEILDTDMHHW-UHFFFAOYSA-N 1 2 330.790 3.918 20 30 EHEDLO C[N@@H+](Cc1cc(Cl)cc2c1OCC2)Cc1cc(C#N)ccc1F ZINC000541196229 1036087276 /nfs/dbraw/zinc/08/72/76/1036087276.db2.gz OSHFEILDTDMHHW-UHFFFAOYSA-N 1 2 330.790 3.918 20 30 EHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000541281139 1036137657 /nfs/dbraw/zinc/13/76/57/1036137657.db2.gz CQFWMHFSWHVWHN-KRWDZBQOSA-N 1 2 337.442 3.771 20 30 EHEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]2C ZINC000541949651 1036880272 /nfs/dbraw/zinc/88/02/72/1036880272.db2.gz ZOHNXKWSSZZNSC-HUUCEWRRSA-N 1 2 349.434 3.513 20 30 EHEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]2C ZINC000541949651 1036880299 /nfs/dbraw/zinc/88/02/99/1036880299.db2.gz ZOHNXKWSSZZNSC-HUUCEWRRSA-N 1 2 349.434 3.513 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000590952359 1037139960 /nfs/dbraw/zinc/13/99/60/1037139960.db2.gz WSFHGUVIYNTUEO-SFHVURJKSA-N 1 2 339.420 3.757 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000590952359 1037139971 /nfs/dbraw/zinc/13/99/71/1037139971.db2.gz WSFHGUVIYNTUEO-SFHVURJKSA-N 1 2 339.420 3.757 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccco2)c1 ZINC000042334492 1037349458 /nfs/dbraw/zinc/34/94/58/1037349458.db2.gz QSERLKVCAAOAIY-KRWDZBQOSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccco2)c1 ZINC000042334492 1037349471 /nfs/dbraw/zinc/34/94/71/1037349471.db2.gz QSERLKVCAAOAIY-KRWDZBQOSA-N 1 2 339.439 3.664 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000053128517 1037404877 /nfs/dbraw/zinc/40/48/77/1037404877.db2.gz BKQSXMKBLYKYHW-UHFFFAOYSA-N 1 2 345.855 3.876 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000053128517 1037404880 /nfs/dbraw/zinc/40/48/80/1037404880.db2.gz BKQSXMKBLYKYHW-UHFFFAOYSA-N 1 2 345.855 3.876 20 30 EHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nc1C ZINC000151782638 1037649467 /nfs/dbraw/zinc/64/94/67/1037649467.db2.gz XEISCIROJDLXFW-AAEUAGOBSA-N 1 2 343.452 3.912 20 30 EHEDLO Cc1oc(NC(=O)C[NH2+]C2(c3ccccc3Cl)CC2)c(C#N)c1C ZINC000592138542 1037856227 /nfs/dbraw/zinc/85/62/27/1037856227.db2.gz ZUAHJNSCTOCWSQ-UHFFFAOYSA-N 1 2 343.814 3.639 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)cc1OC ZINC000512375573 1038910527 /nfs/dbraw/zinc/91/05/27/1038910527.db2.gz UXBATOVCYXTVDU-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(OC)cc1OC ZINC000512375573 1038910542 /nfs/dbraw/zinc/91/05/42/1038910542.db2.gz UXBATOVCYXTVDU-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO Cn1cc(CNc2[nH+]c3ccccc3n2C2CCCCC2)cc1C#N ZINC000478578635 1039549341 /nfs/dbraw/zinc/54/93/41/1039549341.db2.gz CCOIBLQBSXTAGQ-UHFFFAOYSA-N 1 2 333.439 3.786 20 30 EHEDLO Fc1cccnc1O[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000489026134 1039565109 /nfs/dbraw/zinc/56/51/09/1039565109.db2.gz YAYGKUFKDQNJIN-QGZVFWFLSA-N 1 2 344.817 3.769 20 30 EHEDLO Fc1cccnc1O[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000489026134 1039565124 /nfs/dbraw/zinc/56/51/24/1039565124.db2.gz YAYGKUFKDQNJIN-QGZVFWFLSA-N 1 2 344.817 3.769 20 30 EHEDLO CC(C)(C)CCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000553076746 1039759803 /nfs/dbraw/zinc/75/98/03/1039759803.db2.gz ADIXBMFFQNBYEW-UHFFFAOYSA-N 1 2 341.499 3.809 20 30 EHEDLO C=CCCc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000337607745 1040139443 /nfs/dbraw/zinc/13/94/43/1040139443.db2.gz RBLYVSQZNMKDLQ-QGZVFWFLSA-N 1 2 338.455 3.950 20 30 EHEDLO C=CCC[C@H](C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000489709856 1040148083 /nfs/dbraw/zinc/14/80/83/1040148083.db2.gz SCHGSGJFDXCKSV-PMACEKPBSA-N 1 2 336.435 3.811 20 30 EHEDLO C#Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000907808861 1040197920 /nfs/dbraw/zinc/19/79/20/1040197920.db2.gz HKDZEOGVFXOMBZ-SFHVURJKSA-N 1 2 347.462 3.726 20 30 EHEDLO C#Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000907808861 1040197927 /nfs/dbraw/zinc/19/79/27/1040197927.db2.gz HKDZEOGVFXOMBZ-SFHVURJKSA-N 1 2 347.462 3.726 20 30 EHEDLO FC(F)(F)c1ccccc1N[NH+]=Cc1ccccc1N1CCOCC1 ZINC000912776733 1040264903 /nfs/dbraw/zinc/26/49/03/1040264903.db2.gz XRBNEHOMTZUGQJ-UHFFFAOYSA-N 1 2 349.356 3.988 20 30 EHEDLO CC[C@H]([NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)c1cccc(C#N)c1O ZINC000925629364 1040333395 /nfs/dbraw/zinc/33/33/95/1040333395.db2.gz JXNMKXAZCHQSFE-ICBNKOFZSA-N 1 2 342.464 3.803 20 30 EHEDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614168659 1040341148 /nfs/dbraw/zinc/34/11/48/1040341148.db2.gz OQRLDCSDPDQEKR-GOSISDBHSA-N 1 2 348.494 3.762 20 30 EHEDLO COc1ccc(-c2ccc(C[NH2+]CC3(C#N)CCC3)o2)c([N+](=O)[O-])c1 ZINC000418136523 1040634378 /nfs/dbraw/zinc/63/43/78/1040634378.db2.gz CLALMSSPXJSGPH-UHFFFAOYSA-N 1 2 341.367 3.647 20 30 EHEDLO N#CCCCOc1cccc(C[N@@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000600213785 1040831601 /nfs/dbraw/zinc/83/16/01/1040831601.db2.gz PSBIZVSGLPCALO-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO N#CCCCOc1cccc(C[N@H+]2CCOc3cc(F)ccc3C2)c1 ZINC000600213785 1040831618 /nfs/dbraw/zinc/83/16/18/1040831618.db2.gz PSBIZVSGLPCALO-UHFFFAOYSA-N 1 2 340.398 3.903 20 30 EHEDLO N#Cc1ccc(/C=C\C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000491149734 1040945239 /nfs/dbraw/zinc/94/52/39/1040945239.db2.gz AIMGIHJBYMCQAK-YVMONPNESA-N 1 2 332.338 3.535 20 30 EHEDLO C=C(C)[C@@H]([NH2+]Cc1nc2ccc(OC)nc2[nH]1)c1ccc(F)c(F)c1 ZINC000481584512 1041100572 /nfs/dbraw/zinc/10/05/72/1041100572.db2.gz ZHVMJDQWKIOORE-QGZVFWFLSA-N 1 2 344.365 3.652 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433256269 1041163612 /nfs/dbraw/zinc/16/36/12/1041163612.db2.gz ACOILKLQQVVQAQ-GFCCVEGCSA-N 1 2 345.805 3.810 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433256269 1041163620 /nfs/dbraw/zinc/16/36/20/1041163620.db2.gz ACOILKLQQVVQAQ-GFCCVEGCSA-N 1 2 345.805 3.810 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000066215743 1042766986 /nfs/dbraw/zinc/76/69/86/1042766986.db2.gz LMZAMMWDGGDCAU-UHFFFAOYSA-N 1 2 336.435 3.878 20 30 EHEDLO C=C(C)C[N@H+](CC#Cc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512165964 1043545622 /nfs/dbraw/zinc/54/56/22/1043545622.db2.gz IWWQFNZEZCSTQJ-UHFFFAOYSA-N 1 2 329.827 3.855 20 30 EHEDLO C=C(C)C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512165964 1043545628 /nfs/dbraw/zinc/54/56/28/1043545628.db2.gz IWWQFNZEZCSTQJ-UHFFFAOYSA-N 1 2 329.827 3.855 20 30 EHEDLO C=CCC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000279610271 1044293052 /nfs/dbraw/zinc/29/30/52/1044293052.db2.gz WUMQLRKGNISBHC-UHFFFAOYSA-N 1 2 327.472 3.672 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000765012067 1127562964 /nfs/dbraw/zinc/56/29/64/1127562964.db2.gz WHAHJJMKAIUCQW-UHFFFAOYSA-N 1 2 345.516 3.988 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000765012067 1127562966 /nfs/dbraw/zinc/56/29/66/1127562966.db2.gz WHAHJJMKAIUCQW-UHFFFAOYSA-N 1 2 345.516 3.988 20 30 EHEDLO C=CC(C)(C)CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000624463396 1128366809 /nfs/dbraw/zinc/36/68/09/1128366809.db2.gz HIIQBOVAHKDLSN-MRXNPFEDSA-N 1 2 344.503 3.711 20 30 EHEDLO Cc1c(Cl)cnc(NCc2cc[nH+]c(N3CCCC3)c2)c1C#N ZINC000273344047 1128510285 /nfs/dbraw/zinc/51/02/85/1128510285.db2.gz OHESOFWGYQNWOW-UHFFFAOYSA-N 1 2 327.819 3.522 20 30 EHEDLO N#Cc1cc(F)c(CNc2ccc(N3CCCCC3)[nH+]c2)c(F)c1 ZINC000326936661 1128524870 /nfs/dbraw/zinc/52/48/70/1128524870.db2.gz ZBIRKKFLUXYFKP-UHFFFAOYSA-N 1 2 328.366 3.834 20 30 EHEDLO N#Cc1cc2c(nc1NCc1ccc(Cn3cc[nH+]c3)cc1)CCCC2 ZINC000301869152 1128609323 /nfs/dbraw/zinc/60/93/23/1128609323.db2.gz GXERRYKLZQHAHF-UHFFFAOYSA-N 1 2 343.434 3.689 20 30 EHEDLO CC[N@@H+]1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302131214 1128621891 /nfs/dbraw/zinc/62/18/91/1128621891.db2.gz BYXIZFKBLFUQAH-NVXWUHKLSA-N 1 2 346.356 3.618 20 30 EHEDLO CC[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000302131214 1128621893 /nfs/dbraw/zinc/62/18/93/1128621893.db2.gz BYXIZFKBLFUQAH-NVXWUHKLSA-N 1 2 346.356 3.618 20 30 EHEDLO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000189978557 1120619236 /nfs/dbraw/zinc/61/92/36/1120619236.db2.gz QEWXSWUOVCYBLX-VXGBXAGGSA-N 1 2 336.233 3.552 20 30 EHEDLO COc1cccc(N[NH+]=Cc2c(Cl)cccc2N2CCOCC2)c1 ZINC000915955528 1121992312 /nfs/dbraw/zinc/99/23/12/1121992312.db2.gz GDORTICXIIAUBP-UHFFFAOYSA-N 1 2 345.830 3.631 20 30 EHEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000488129159 1122198360 /nfs/dbraw/zinc/19/83/60/1122198360.db2.gz NCHVMBCPVWXQIJ-UHFFFAOYSA-N 1 2 348.450 3.525 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1cccs1 ZINC000499048482 1123166134 /nfs/dbraw/zinc/16/61/34/1123166134.db2.gz QQBWLDBQNVPLGR-HNNXBMFYSA-N 1 2 326.465 3.714 20 30 EHEDLO C=CC[N@H+](CC(=O)N1c2ccccc2C[C@@H]1C)Cc1cccs1 ZINC000499048482 1123166136 /nfs/dbraw/zinc/16/61/36/1123166136.db2.gz QQBWLDBQNVPLGR-HNNXBMFYSA-N 1 2 326.465 3.714 20 30 EHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180057069 1123929107 /nfs/dbraw/zinc/92/91/07/1123929107.db2.gz XAXBNUDMUYNZDW-SECBINFHSA-N 1 2 333.176 3.784 20 30 EHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180057069 1123929114 /nfs/dbraw/zinc/92/91/14/1123929114.db2.gz XAXBNUDMUYNZDW-SECBINFHSA-N 1 2 333.176 3.784 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000616757910 1124032986 /nfs/dbraw/zinc/03/29/86/1124032986.db2.gz HGDYZRIIZCJIAD-PHIMTYICSA-N 1 2 340.242 3.870 20 30 EHEDLO N#Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1F ZINC000616757910 1124032991 /nfs/dbraw/zinc/03/29/91/1124032991.db2.gz HGDYZRIIZCJIAD-PHIMTYICSA-N 1 2 340.242 3.870 20 30 EHEDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000181828500 1125053603 /nfs/dbraw/zinc/05/36/03/1125053603.db2.gz JEXQWTGGHWLUCC-LJQANCHMSA-N 1 2 340.398 3.870 20 30 EHEDLO CC[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 ZINC000735311801 1131334308 /nfs/dbraw/zinc/33/43/08/1131334308.db2.gz VTIXUYSWOAMFNE-HUUCEWRRSA-N 1 2 341.480 3.985 20 30 EHEDLO C[C@H](c1ccncc1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619295480 1125329110 /nfs/dbraw/zinc/32/91/10/1125329110.db2.gz SJHPEHVMXIQCIG-DNVCBOLYSA-N 1 2 340.858 3.678 20 30 EHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000118392527 1129507959 /nfs/dbraw/zinc/50/79/59/1129507959.db2.gz AEKGHJSNTXVAMR-QGZVFWFLSA-N 1 2 339.483 3.734 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000353957608 1129928441 /nfs/dbraw/zinc/92/84/41/1129928441.db2.gz QTXJWDMSPMKKPN-IRXDYDNUSA-N 1 2 348.372 3.717 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000353957608 1129928443 /nfs/dbraw/zinc/92/84/43/1129928443.db2.gz QTXJWDMSPMKKPN-IRXDYDNUSA-N 1 2 348.372 3.717 20 30 EHEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@H]1c1cccc(F)c1 ZINC000245411323 1130200273 /nfs/dbraw/zinc/20/02/73/1130200273.db2.gz WILOIMFGNRNKDL-YVEFUNNKSA-N 1 2 343.427 3.780 20 30 EHEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@H]1c1cccc(F)c1 ZINC000245411323 1130200280 /nfs/dbraw/zinc/20/02/80/1130200280.db2.gz WILOIMFGNRNKDL-YVEFUNNKSA-N 1 2 343.427 3.780 20 30 EHEDLO Cc1nc(C2([NH2+]Cc3ccc(OCC#N)cc3)CCCCCC2)no1 ZINC000731211930 1130776383 /nfs/dbraw/zinc/77/63/83/1130776383.db2.gz JMUXINYZYIHBMI-UHFFFAOYSA-N 1 2 340.427 3.620 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2cccc(C)c2)c1 ZINC000732166133 1130890221 /nfs/dbraw/zinc/89/02/21/1130890221.db2.gz UTIKEOAXYCUHBK-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2cccc(C)c2)c1 ZINC000732166133 1130890226 /nfs/dbraw/zinc/89/02/26/1130890226.db2.gz UTIKEOAXYCUHBK-NRFANRHFSA-N 1 2 348.446 3.610 20 30 EHEDLO N#Cc1ccccc1COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741350076 1131598163 /nfs/dbraw/zinc/59/81/63/1131598163.db2.gz GZJJMUCFKORMNY-HXUWFJFHSA-N 1 2 334.419 3.656 20 30 EHEDLO N#Cc1ccccc1COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741350076 1131598165 /nfs/dbraw/zinc/59/81/65/1131598165.db2.gz GZJJMUCFKORMNY-HXUWFJFHSA-N 1 2 334.419 3.656 20 30 EHEDLO N#Cc1cccc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000741354741 1131598842 /nfs/dbraw/zinc/59/88/42/1131598842.db2.gz UTJVOHKZVSXREA-FQEVSTJZSA-N 1 2 334.419 3.656 20 30 EHEDLO N#Cc1cccc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000741354741 1131598845 /nfs/dbraw/zinc/59/88/45/1131598845.db2.gz UTJVOHKZVSXREA-FQEVSTJZSA-N 1 2 334.419 3.656 20 30 EHEDLO Cc1cccn2c(/C=C3/S/C(=N/C4CCCCC4)NC3=O)c[nH+]c12 ZINC000741471438 1131605987 /nfs/dbraw/zinc/60/59/87/1131605987.db2.gz MAXDFUXWXQEPJT-XNTDXEJSSA-N 1 2 340.452 3.535 20 30 EHEDLO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)cc1C#N ZINC000742369544 1131716004 /nfs/dbraw/zinc/71/60/04/1131716004.db2.gz JXLBIILHVSWTHU-NRFANRHFSA-N 1 2 347.393 3.980 20 30 EHEDLO CC[C@@](C)(C#N)[NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172531859 1131756785 /nfs/dbraw/zinc/75/67/85/1131756785.db2.gz VHDKUIHBZNORLQ-IWFBPKFRSA-N 1 2 339.483 3.599 20 30 EHEDLO CCOC(=O)[C@H](CSCc1ccccc1)[NH2+][C@H](C)CCCC#N ZINC001172494261 1131757404 /nfs/dbraw/zinc/75/74/04/1131757404.db2.gz YFYUETLUQNHTMN-WBVHZDCISA-N 1 2 334.485 3.523 20 30 EHEDLO C=CCN1CC[NH+]([C@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172575423 1131779145 /nfs/dbraw/zinc/77/91/45/1131779145.db2.gz WYNPDKZCCPAFPQ-CYBMUJFWSA-N 1 2 328.834 3.743 20 30 EHEDLO COC(=O)[C@H](CSCc1ccccc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173330030 1132049490 /nfs/dbraw/zinc/04/94/90/1132049490.db2.gz RVEOYXLUBICWAN-VJFUWPCTSA-N 1 2 346.496 3.523 20 30 EHEDLO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000744428351 1132095438 /nfs/dbraw/zinc/09/54/38/1132095438.db2.gz IXBITMXTUBGSCJ-HZSPNIEDSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000744428351 1132095446 /nfs/dbraw/zinc/09/54/46/1132095446.db2.gz IXBITMXTUBGSCJ-HZSPNIEDSA-N 1 2 327.453 3.593 20 30 EHEDLO N#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1C(F)(F)F ZINC001174976755 1132511344 /nfs/dbraw/zinc/51/13/44/1132511344.db2.gz GNDXVDIAWCONSK-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO C#CC[N@@H+](CC)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000746456738 1132540821 /nfs/dbraw/zinc/54/08/21/1132540821.db2.gz HCNDBDCQZNKQFD-HXUWFJFHSA-N 1 2 336.435 3.639 20 30 EHEDLO C#CC[N@H+](CC)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000746456738 1132540829 /nfs/dbraw/zinc/54/08/29/1132540829.db2.gz HCNDBDCQZNKQFD-HXUWFJFHSA-N 1 2 336.435 3.639 20 30 EHEDLO C[N@@H+](Cc1csc2ccccc12)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766614119 1132693013 /nfs/dbraw/zinc/69/30/13/1132693013.db2.gz ZSNFVSOGHGQCNQ-UHFFFAOYSA-N 1 2 349.459 3.513 20 30 EHEDLO C[N@H+](Cc1csc2ccccc12)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766614119 1132693014 /nfs/dbraw/zinc/69/30/14/1132693014.db2.gz ZSNFVSOGHGQCNQ-UHFFFAOYSA-N 1 2 349.459 3.513 20 30 EHEDLO C[C@H](CC#N)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001179479888 1133254195 /nfs/dbraw/zinc/25/41/95/1133254195.db2.gz XFJMCODUMPVRFH-GFCCVEGCSA-N 1 2 329.331 3.918 20 30 EHEDLO CC(=[NH+]Nc1cncc(Br)c1)c1ccccc1N(C)C ZINC000769586905 1133316731 /nfs/dbraw/zinc/31/67/31/1133316731.db2.gz WFSBSAUYEVZSCT-UHFFFAOYSA-N 1 2 333.233 3.746 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)Oc1ccc(C#N)cc1F)c1ccccc1 ZINC000769738511 1133340969 /nfs/dbraw/zinc/34/09/69/1133340969.db2.gz QQDXXEJNQZGNLT-SFHVURJKSA-N 1 2 326.371 3.686 20 30 EHEDLO COc1ccc(C#N)cc1CO[NH+]=C(N)c1cccc2ccccc21 ZINC000770694077 1133463433 /nfs/dbraw/zinc/46/34/33/1133463433.db2.gz LCWVGQPVPWYBJL-UHFFFAOYSA-N 1 2 331.375 3.767 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)Nc1cccc(C#N)n1)c1ccccc1Cl ZINC001182217626 1133597332 /nfs/dbraw/zinc/59/73/32/1133597332.db2.gz BJEPIIUCSWLQOE-QGZVFWFLSA-N 1 2 342.830 3.628 20 30 EHEDLO C[N@H+](CC(F)F)C1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000772098150 1133639303 /nfs/dbraw/zinc/63/93/03/1133639303.db2.gz QYBHAVPNRGUNBX-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO C[N@@H+](CC(F)F)C1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000772098150 1133639308 /nfs/dbraw/zinc/63/93/08/1133639308.db2.gz QYBHAVPNRGUNBX-UHFFFAOYSA-N 1 2 347.331 3.743 20 30 EHEDLO C#CCCCCCC[NH2+][C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC001182593821 1133705736 /nfs/dbraw/zinc/70/57/36/1133705736.db2.gz BTBRNPXFPXPEPW-SFHVURJKSA-N 1 2 330.472 3.508 20 30 EHEDLO CCOC(=O)c1cc(C#N)c(Nc2ccc(C)[nH+]c2C)c(C)c1O ZINC001203374174 1133746428 /nfs/dbraw/zinc/74/64/28/1133746428.db2.gz GJJULJCKZITWKK-UHFFFAOYSA-N 1 2 325.368 3.504 20 30 EHEDLO Cc1cc(Br)cn2c(/C=C\C(=O)c3cncs3)c[nH+]c12 ZINC000787171842 1133966462 /nfs/dbraw/zinc/96/64/62/1133966462.db2.gz FDMJDQTZZMCHRD-IHWYPQMZSA-N 1 2 348.225 3.758 20 30 EHEDLO C=C1CC(C)(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001184791542 1133990629 /nfs/dbraw/zinc/99/06/29/1133990629.db2.gz IZZLDQWVTTZILY-UHFFFAOYSA-N 1 2 346.474 3.933 20 30 EHEDLO N#Cc1cccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000788241736 1134099259 /nfs/dbraw/zinc/09/92/59/1134099259.db2.gz HZRKAFMBQYRFKT-KRWDZBQOSA-N 1 2 348.450 3.616 20 30 EHEDLO N#Cc1cccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000788241736 1134099260 /nfs/dbraw/zinc/09/92/60/1134099260.db2.gz HZRKAFMBQYRFKT-KRWDZBQOSA-N 1 2 348.450 3.616 20 30 EHEDLO Cc1cc(Nc2ncc(C#N)cc2F)c[nH+]c1N1CCCC[C@H]1C ZINC001185923042 1134152180 /nfs/dbraw/zinc/15/21/80/1134152180.db2.gz RZPDLLWQELEZTE-CYBMUJFWSA-N 1 2 325.391 3.918 20 30 EHEDLO CCCCCCCCC/C=C\C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001170101797 1134255180 /nfs/dbraw/zinc/25/51/80/1134255180.db2.gz MAHHWPJMVZCHOQ-YAINUAMHSA-N 1 2 346.519 3.590 20 30 EHEDLO CC(C)[C@@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)[NH+](C)C ZINC000789801179 1134336608 /nfs/dbraw/zinc/33/66/08/1134336608.db2.gz OJPLFYPJIXBFSG-FZMZJTMJSA-N 1 2 335.860 3.712 20 30 EHEDLO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000775565119 1135100613 /nfs/dbraw/zinc/10/06/13/1135100613.db2.gz FWADIMLVVFOUNR-UHFFFAOYSA-N 1 2 346.434 3.769 20 30 EHEDLO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000775565119 1135100618 /nfs/dbraw/zinc/10/06/18/1135100618.db2.gz FWADIMLVVFOUNR-UHFFFAOYSA-N 1 2 346.434 3.769 20 30 EHEDLO CCCCCCCOC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC001194012207 1135214230 /nfs/dbraw/zinc/21/42/30/1135214230.db2.gz FQRKAOWAGXVBSW-UHFFFAOYSA-N 1 2 348.487 3.715 20 30 EHEDLO C#CC[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C1CCCC1 ZINC000775612542 1135322821 /nfs/dbraw/zinc/32/28/21/1135322821.db2.gz FCGAWFZENQIUNU-UHFFFAOYSA-N 1 2 332.245 3.703 20 30 EHEDLO C#CC[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C1CCCC1 ZINC000775612542 1135322824 /nfs/dbraw/zinc/32/28/24/1135322824.db2.gz FCGAWFZENQIUNU-UHFFFAOYSA-N 1 2 332.245 3.703 20 30 EHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)cc1 ZINC001197394471 1135683930 /nfs/dbraw/zinc/68/39/30/1135683930.db2.gz REZDAQDMOJIPDL-INIZCTEOSA-N 1 2 346.390 3.561 20 30 EHEDLO Cc1ccc(C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc1C#N ZINC001197979066 1135763283 /nfs/dbraw/zinc/76/32/83/1135763283.db2.gz POYVXRAJMQUPGO-NRFANRHFSA-N 1 2 328.419 3.738 20 30 EHEDLO Cc1ccc(C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc1C#N ZINC001197979066 1135763288 /nfs/dbraw/zinc/76/32/88/1135763288.db2.gz POYVXRAJMQUPGO-NRFANRHFSA-N 1 2 328.419 3.738 20 30 EHEDLO C#C[C@@H](NCc1c[nH+]c2c(C)cccn12)c1ccc(Cl)cc1F ZINC000809699323 1135868907 /nfs/dbraw/zinc/86/89/07/1135868907.db2.gz QBJQPJVXVAJJLP-QGZVFWFLSA-N 1 2 327.790 3.899 20 30 EHEDLO C[C@H](OC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000810605969 1135984343 /nfs/dbraw/zinc/98/43/43/1135984343.db2.gz HCRFLOMYTAIRTL-INIZCTEOSA-N 1 2 345.402 3.650 20 30 EHEDLO CC[C@@H](O)CN[NH+]=Cc1sc(Nc2ccc(C)cc2)nc1Cl ZINC000811656338 1136114273 /nfs/dbraw/zinc/11/42/73/1136114273.db2.gz KECYMXRIAZXUOU-GFCCVEGCSA-N 1 2 338.864 3.543 20 30 EHEDLO C=CCCCCCCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000811927790 1136155743 /nfs/dbraw/zinc/15/57/43/1136155743.db2.gz OIMTUZLJXSCFNU-QGZVFWFLSA-N 1 2 332.492 3.836 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2)c1ccc(F)cc1 ZINC000812792829 1136251511 /nfs/dbraw/zinc/25/15/11/1136251511.db2.gz ITDVIEGZHYAYMT-BFUOFWGJSA-N 1 2 325.383 3.622 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2)c1ccc(F)cc1 ZINC000812792830 1136251571 /nfs/dbraw/zinc/25/15/71/1136251571.db2.gz ITDVIEGZHYAYMT-DJJJIMSYSA-N 1 2 325.383 3.622 20 30 EHEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)OCC#CC1CCCCC1 ZINC000814094199 1136402211 /nfs/dbraw/zinc/40/22/11/1136402211.db2.gz DBNQJAUVOXLDHZ-UHFFFAOYSA-N 1 2 336.435 3.601 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000852325945 1136448961 /nfs/dbraw/zinc/44/89/61/1136448961.db2.gz KVNYOXGSOFDWOC-OAQYLSRUSA-N 1 2 346.409 3.826 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000852325945 1136448963 /nfs/dbraw/zinc/44/89/63/1136448963.db2.gz KVNYOXGSOFDWOC-OAQYLSRUSA-N 1 2 346.409 3.826 20 30 EHEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)c(CC)o1)Cc1cccc(C#N)c1 ZINC000338948657 1136470669 /nfs/dbraw/zinc/47/06/69/1136470669.db2.gz QGEJJLSXVRGSDH-UHFFFAOYSA-N 1 2 338.407 3.688 20 30 EHEDLO C=CC[N@H+](Cc1cc(C(=O)OC)c(CC)o1)Cc1cccc(C#N)c1 ZINC000338948657 1136470671 /nfs/dbraw/zinc/47/06/71/1136470671.db2.gz QGEJJLSXVRGSDH-UHFFFAOYSA-N 1 2 338.407 3.688 20 30 EHEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000814823343 1136510103 /nfs/dbraw/zinc/51/01/03/1136510103.db2.gz XDGAXUWDPBJIKQ-UHFFFAOYSA-N 1 2 345.428 3.731 20 30 EHEDLO C(=NNc1cc[nH+]c2ccccc12)c1conc1Cc1ccccc1 ZINC000814841851 1136514769 /nfs/dbraw/zinc/51/47/69/1136514769.db2.gz XRPHBPMOYDNYQU-UHFFFAOYSA-N 1 2 328.375 3.682 20 30 EHEDLO COC(=O)c1ccc(N[NH+]=C(C)c2ccc(Cl)c(N)c2)c(OC)c1 ZINC000814886788 1136520308 /nfs/dbraw/zinc/52/03/08/1136520308.db2.gz DABVRBNBZFRZGI-UHFFFAOYSA-N 1 2 347.802 3.554 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815145647 1136562471 /nfs/dbraw/zinc/56/24/71/1136562471.db2.gz AZVHYRJYLBQSNN-MRXNPFEDSA-N 1 2 342.361 3.521 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000815145647 1136562473 /nfs/dbraw/zinc/56/24/73/1136562473.db2.gz AZVHYRJYLBQSNN-MRXNPFEDSA-N 1 2 342.361 3.521 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2ncc(Cl)cc2Cl)ccc1F ZINC000776834796 1136726965 /nfs/dbraw/zinc/72/69/65/1136726965.db2.gz KNBOTTZELVFLEY-UHFFFAOYSA-N 1 2 328.174 3.673 20 30 EHEDLO CC[N@H+](CCS(=O)(=O)C1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000856722487 1136803156 /nfs/dbraw/zinc/80/31/56/1136803156.db2.gz TVHKGZCHXSHBNC-INIZCTEOSA-N 1 2 348.512 3.689 20 30 EHEDLO CC[N@@H+](CCS(=O)(=O)C1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000856722487 1136803159 /nfs/dbraw/zinc/80/31/59/1136803159.db2.gz TVHKGZCHXSHBNC-INIZCTEOSA-N 1 2 348.512 3.689 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2\CCCc3cc(C#N)ccc3C2=O)s1 ZINC000819015173 1136903344 /nfs/dbraw/zinc/90/33/44/1136903344.db2.gz XZZAOZRKHYJJRG-OQLLNIDSSA-N 1 2 337.448 3.679 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(Cn2cccn2)cc1 ZINC000820619369 1136998649 /nfs/dbraw/zinc/99/86/49/1136998649.db2.gz KTPBZXKNROYPHI-UHFFFAOYSA-N 1 2 346.434 3.731 20 30 EHEDLO C#CCCCOc1cccnc1NCc1ccccc1-n1cc[nH+]c1 ZINC000820683208 1137000851 /nfs/dbraw/zinc/00/08/51/1137000851.db2.gz XDAQHPPGPOOCCA-UHFFFAOYSA-N 1 2 332.407 3.672 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc3ccccc3cc2OC)n1 ZINC000824307437 1137131567 /nfs/dbraw/zinc/13/15/67/1137131567.db2.gz KCCLWWGNPSTIKX-UHFFFAOYSA-N 1 2 333.435 3.700 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc3ccccc3cc2OC)n1 ZINC000824307437 1137131568 /nfs/dbraw/zinc/13/15/68/1137131568.db2.gz KCCLWWGNPSTIKX-UHFFFAOYSA-N 1 2 333.435 3.700 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1c(Cl)nc3ccccn31)C2 ZINC000862542760 1137149299 /nfs/dbraw/zinc/14/92/99/1137149299.db2.gz ZXOVDKSEFFDVOD-UHFFFAOYSA-N 1 2 336.826 3.612 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1c(Cl)nc3ccccn31)C2 ZINC000862542760 1137149301 /nfs/dbraw/zinc/14/93/01/1137149301.db2.gz ZXOVDKSEFFDVOD-UHFFFAOYSA-N 1 2 336.826 3.612 20 30 EHEDLO CN(C)c1ccc(C=[NH+]NCc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000794522601 1137183651 /nfs/dbraw/zinc/18/36/51/1137183651.db2.gz AHLHJCGGMRIGHP-UHFFFAOYSA-N 1 2 346.356 3.767 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000120270597 1137249392 /nfs/dbraw/zinc/24/93/92/1137249392.db2.gz QSLTZVOAOLZWHU-QGZVFWFLSA-N 1 2 340.496 3.924 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](c3ccccc3)C2)nc1C1CC1 ZINC000120270597 1137249394 /nfs/dbraw/zinc/24/93/94/1137249394.db2.gz QSLTZVOAOLZWHU-QGZVFWFLSA-N 1 2 340.496 3.924 20 30 EHEDLO N#Cc1ccc(C2CC[NH+](Cc3n[nH]c4ccc(F)cc43)CC2)cc1 ZINC001144201032 1137250520 /nfs/dbraw/zinc/25/05/20/1137250520.db2.gz UPCZELMGOAFHER-UHFFFAOYSA-N 1 2 334.398 3.953 20 30 EHEDLO Fc1ccc2[nH]nc(C[NH+]3CCC(C#Cc4ccccc4)CC3)c2c1 ZINC001144200607 1137250704 /nfs/dbraw/zinc/25/07/04/1137250704.db2.gz FECOENBCPGKGJL-UHFFFAOYSA-N 1 2 333.410 3.966 20 30 EHEDLO CC(C)c1nn(C)c(Cl)c1CNc1[nH]c2ccc(C#N)cc2[nH+]1 ZINC000865295689 1137275331 /nfs/dbraw/zinc/27/53/31/1137275331.db2.gz KBADGTUVVSZELT-UHFFFAOYSA-N 1 2 328.807 3.557 20 30 EHEDLO C[C@@H](CC(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)n1cc[nH+]c1 ZINC000845447031 1137292320 /nfs/dbraw/zinc/29/23/20/1137292320.db2.gz ABBPCNXTJGWDRA-CMPLNLGQSA-N 1 2 344.827 3.974 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144657860 1137323607 /nfs/dbraw/zinc/32/36/07/1137323607.db2.gz LCDVMLKSFKKTQA-HNNXBMFYSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144657860 1137323609 /nfs/dbraw/zinc/32/36/09/1137323609.db2.gz LCDVMLKSFKKTQA-HNNXBMFYSA-N 1 2 344.361 3.585 20 30 EHEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000846119009 1137334059 /nfs/dbraw/zinc/33/40/59/1137334059.db2.gz VFJRVHDAZFGOEK-WMLDXEAASA-N 1 2 332.444 3.530 20 30 EHEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000846119009 1137334061 /nfs/dbraw/zinc/33/40/61/1137334061.db2.gz VFJRVHDAZFGOEK-WMLDXEAASA-N 1 2 332.444 3.530 20 30 EHEDLO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866231311 1137336909 /nfs/dbraw/zinc/33/69/09/1137336909.db2.gz WFRBRKKIBOYMDJ-ZDUSSCGKSA-N 1 2 326.396 3.522 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866297643 1137343560 /nfs/dbraw/zinc/34/35/60/1137343560.db2.gz LEIBLBPCGXUYDD-PBHICJAKSA-N 1 2 335.407 3.796 20 30 EHEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)[C@@H](O)c1c(F)cccc1F ZINC000866303102 1137343660 /nfs/dbraw/zinc/34/36/60/1137343660.db2.gz NRHLWJHYSHAXAA-XNPNBVRTSA-N 1 2 346.377 3.705 20 30 EHEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)[C@H](O)c1c(F)cccc1F ZINC000866302999 1137343806 /nfs/dbraw/zinc/34/38/06/1137343806.db2.gz NRHLWJHYSHAXAA-DQNAHFDYSA-N 1 2 346.377 3.705 20 30 EHEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000867627721 1137382835 /nfs/dbraw/zinc/38/28/35/1137382835.db2.gz KVNIOBCEJHVATF-UHFFFAOYSA-N 1 2 349.843 3.602 20 30 EHEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)[C@@H](C)CC ZINC001171340975 1137437211 /nfs/dbraw/zinc/43/72/11/1137437211.db2.gz MVWNWUSNOQEZAI-PNPHSEOMSA-N 1 2 337.410 3.556 20 30 EHEDLO C=CC[NH+](CC=C)Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000876526549 1137654677 /nfs/dbraw/zinc/65/46/77/1137654677.db2.gz WXQUZIORWQLTHL-UHFFFAOYSA-N 1 2 335.448 3.608 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(F)(F)F)co1 ZINC000878607013 1137722166 /nfs/dbraw/zinc/72/21/66/1137722166.db2.gz RUZGUOWDGICVSW-UHFFFAOYSA-N 1 2 329.318 3.962 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(F)(F)F)co1 ZINC000878607013 1137722167 /nfs/dbraw/zinc/72/21/67/1137722167.db2.gz RUZGUOWDGICVSW-UHFFFAOYSA-N 1 2 329.318 3.962 20 30 EHEDLO C#CCC1(O)CC[NH+](Cc2csc(Nc3ccccc3C)n2)CC1 ZINC000880479462 1137779861 /nfs/dbraw/zinc/77/98/61/1137779861.db2.gz VHGBMIOWVCVZAK-UHFFFAOYSA-N 1 2 341.480 3.545 20 30 EHEDLO N#Cc1cc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)ccc1C1CC1 ZINC000882308531 1137825291 /nfs/dbraw/zinc/82/52/91/1137825291.db2.gz BYWYCPLCJGRQDZ-HNNXBMFYSA-N 1 2 348.328 3.764 20 30 EHEDLO N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1cccc(Cl)c1Cl ZINC000331798998 1137921286 /nfs/dbraw/zinc/92/12/86/1137921286.db2.gz QCFRHPCYCNZNPK-ZWNOBZJWSA-N 1 2 349.221 3.517 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000127504045 1138360352 /nfs/dbraw/zinc/36/03/52/1138360352.db2.gz WQJFKEXIFODUKU-OAHLLOKOSA-N 1 2 341.480 3.991 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000127504045 1138360355 /nfs/dbraw/zinc/36/03/55/1138360355.db2.gz WQJFKEXIFODUKU-OAHLLOKOSA-N 1 2 341.480 3.991 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cccnc3Cl)CC2)cc1 ZINC000264139912 1138427107 /nfs/dbraw/zinc/42/71/07/1138427107.db2.gz QHDHUDUSDXFHDO-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000265286270 1138796232 /nfs/dbraw/zinc/79/62/32/1138796232.db2.gz ASMBESFIZVEXSG-BBRMVZONSA-N 1 2 341.411 3.834 20 30 EHEDLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000265286270 1138796234 /nfs/dbraw/zinc/79/62/34/1138796234.db2.gz ASMBESFIZVEXSG-BBRMVZONSA-N 1 2 341.411 3.834 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1O ZINC000179741989 1139779108 /nfs/dbraw/zinc/77/91/08/1139779108.db2.gz PYEJGCBUIMLEOB-UHFFFAOYSA-N 1 2 330.815 3.566 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1O ZINC000179741989 1139779113 /nfs/dbraw/zinc/77/91/13/1139779113.db2.gz PYEJGCBUIMLEOB-UHFFFAOYSA-N 1 2 330.815 3.566 20 30 EHEDLO CC(C)[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000179801136 1139784763 /nfs/dbraw/zinc/78/47/63/1139784763.db2.gz HQELKXOOLPSODW-INIZCTEOSA-N 1 2 329.831 3.939 20 30 EHEDLO CC(C)[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nc(C2CC2)no1 ZINC000179801149 1139784900 /nfs/dbraw/zinc/78/49/00/1139784900.db2.gz HQELKXOOLPSODW-MRXNPFEDSA-N 1 2 329.831 3.939 20 30 EHEDLO CC(C)(C)C1=CC[N@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000270367806 1141212405 /nfs/dbraw/zinc/21/24/05/1141212405.db2.gz MDEHBXUZWHIBLT-UHFFFAOYSA-N 1 2 343.496 3.919 20 30 EHEDLO CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000270367806 1141212411 /nfs/dbraw/zinc/21/24/11/1141212411.db2.gz MDEHBXUZWHIBLT-UHFFFAOYSA-N 1 2 343.496 3.919 20 30 EHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccccc1Cl ZINC000069034637 215353538 /nfs/dbraw/zinc/35/35/38/215353538.db2.gz DJEKMNSQRRTFON-CQSZACIVSA-N 1 2 333.863 3.503 20 30 EHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccccc1Cl ZINC000069034637 215353543 /nfs/dbraw/zinc/35/35/43/215353543.db2.gz DJEKMNSQRRTFON-CQSZACIVSA-N 1 2 333.863 3.503 20 30 EHEDLO O=C1c2cccc(Br)c2C/C1=C/c1cccc2[nH+]ccn21 ZINC000254914927 1015015579 /nfs/dbraw/zinc/01/55/79/1015015579.db2.gz VMKFEYBGNBTCKV-LUAWRHEFSA-N 1 2 339.192 3.919 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000459444257 1032130233 /nfs/dbraw/zinc/13/02/33/1032130233.db2.gz RLBXVGDOWYTLMH-UHFFFAOYSA-N 1 2 339.370 3.927 20 30 EHEDLO C[C@]1(c2ccc(F)cc2)CN(c2[nH+]ccc3ccc(C#N)cc32)CCO1 ZINC001167137899 1016268524 /nfs/dbraw/zinc/26/85/24/1016268524.db2.gz AAJUTUOSCFJKDA-OAQYLSRUSA-N 1 2 347.393 3.998 20 30 EHEDLO N#CC1(F)CC[NH+](Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449317925 1032450067 /nfs/dbraw/zinc/45/00/67/1032450067.db2.gz UBSTVPCFVLPNID-UHFFFAOYSA-N 1 2 329.444 3.756 20 30 EHEDLO CC1(C)CC(=O)C=C(Nc2cc(Br)cn3cc[nH+]c23)C1 ZINC001210149816 1017289579 /nfs/dbraw/zinc/28/95/79/1017289579.db2.gz OFTXAMXJDDVFCD-UHFFFAOYSA-N 1 2 334.217 3.782 20 30 EHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000602086956 1032632312 /nfs/dbraw/zinc/63/23/12/1032632312.db2.gz FQBUGRURVXGOPF-LJQANCHMSA-N 1 2 336.439 3.557 20 30 EHEDLO CC(C)C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000602095937 1032641249 /nfs/dbraw/zinc/64/12/49/1032641249.db2.gz GYYYQWBIGCPPEW-HZPDHXFCSA-N 1 2 330.819 3.505 20 30 EHEDLO CC(C)C[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000602134770 1032663559 /nfs/dbraw/zinc/66/35/59/1032663559.db2.gz WDQAKOYVUWFCBD-FQEVSTJZSA-N 1 2 348.450 3.658 20 30 EHEDLO CC(C)C[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)n1cc[nH+]c1 ZINC000602148615 1032670041 /nfs/dbraw/zinc/67/00/41/1032670041.db2.gz MWWCDOIEBJRUKC-SFHVURJKSA-N 1 2 337.427 3.555 20 30 EHEDLO CC(C)C[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000602162731 1032677404 /nfs/dbraw/zinc/67/74/04/1032677404.db2.gz DZBPWRFZISEBMT-RBUKOAKNSA-N 1 2 336.439 3.536 20 30 EHEDLO CCc1cc(C#N)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000340443694 1017843928 /nfs/dbraw/zinc/84/39/28/1017843928.db2.gz WTEYJTGWUVKRJS-UHFFFAOYSA-N 1 2 336.420 3.679 20 30 EHEDLO Cc1cccn2c(/C=C\C(=O)c3c(Cl)nc4sccn43)c[nH+]c12 ZINC000255154582 1018391423 /nfs/dbraw/zinc/39/14/23/1018391423.db2.gz QLHWYIOVDWYVFB-PLNGDYQASA-N 1 2 342.811 3.901 20 30 EHEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000015546980 1018754647 /nfs/dbraw/zinc/75/46/47/1018754647.db2.gz VKBCHCTYSYVEKA-INIZCTEOSA-N 1 2 325.437 3.568 20 30 EHEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000015546980 1018754662 /nfs/dbraw/zinc/75/46/62/1018754662.db2.gz VKBCHCTYSYVEKA-INIZCTEOSA-N 1 2 325.437 3.568 20 30 EHEDLO Cc1cc(-c2noc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2)ccc1F ZINC000119192516 1019636486 /nfs/dbraw/zinc/63/64/86/1019636486.db2.gz KZIQYOFDKMDLBY-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO Cc1cc(-c2noc(C[N@H+](C)Cc3ccc(C#N)cc3)n2)ccc1F ZINC000119192516 1019636493 /nfs/dbraw/zinc/63/64/93/1019636493.db2.gz KZIQYOFDKMDLBY-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO C=CCn1c(C)nn(C[NH+]2CCC(C)(c3ccccc3)CC2)c1=S ZINC000156895471 1020527706 /nfs/dbraw/zinc/52/77/06/1020527706.db2.gz HPEOORHQIOMQJK-UHFFFAOYSA-N 1 2 342.512 3.920 20 30 EHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000581313332 1020669274 /nfs/dbraw/zinc/66/92/74/1020669274.db2.gz BNGCVTSRKVLZJG-KBPBESRZSA-N 1 2 328.441 3.725 20 30 EHEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)CC2 ZINC000437408892 1021805748 /nfs/dbraw/zinc/80/57/48/1021805748.db2.gz GCEPTHBPOFPOOV-UHFFFAOYSA-N 1 2 344.361 3.727 20 30 EHEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC2 ZINC000437408892 1021805758 /nfs/dbraw/zinc/80/57/58/1021805758.db2.gz GCEPTHBPOFPOOV-UHFFFAOYSA-N 1 2 344.361 3.727 20 30 EHEDLO CCCCc1noc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000520173354 1021987441 /nfs/dbraw/zinc/98/74/41/1021987441.db2.gz GYHCJQCSMUFIOT-UHFFFAOYSA-N 1 2 326.444 3.942 20 30 EHEDLO CCCCc1noc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000520173354 1021987447 /nfs/dbraw/zinc/98/74/47/1021987447.db2.gz GYHCJQCSMUFIOT-UHFFFAOYSA-N 1 2 326.444 3.942 20 30 EHEDLO C=C[C@](C)(CC)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009890 1022697980 /nfs/dbraw/zinc/69/79/80/1022697980.db2.gz SLQGJVATXFAVAB-OXFYSEKESA-N 1 2 341.455 3.885 20 30 EHEDLO C=C[C@](C)(CC)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009890 1022697988 /nfs/dbraw/zinc/69/79/88/1022697988.db2.gz SLQGJVATXFAVAB-OXFYSEKESA-N 1 2 341.455 3.885 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C2CCCC2)CC1 ZINC000610582484 1022792031 /nfs/dbraw/zinc/79/20/31/1022792031.db2.gz NXPGUNGZSNCNDX-IBGZPJMESA-N 1 2 326.440 3.675 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441440063 1022803391 /nfs/dbraw/zinc/80/33/91/1022803391.db2.gz VFVVHHMLTIHRNG-UTKZUKDTSA-N 1 2 344.499 3.720 20 30 EHEDLO C=C[C@@](C)(CC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000441440063 1022803408 /nfs/dbraw/zinc/80/34/08/1022803408.db2.gz VFVVHHMLTIHRNG-UTKZUKDTSA-N 1 2 344.499 3.720 20 30 EHEDLO C=CCC1(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CCCC1 ZINC000598295538 1033086528 /nfs/dbraw/zinc/08/65/28/1033086528.db2.gz HJLUEIXGGYKABA-UHFFFAOYSA-N 1 2 343.496 3.881 20 30 EHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000426162855 1023023001 /nfs/dbraw/zinc/02/30/01/1023023001.db2.gz QRYRIMANKFEBMJ-BLLLJJGKSA-N 1 2 343.818 3.523 20 30 EHEDLO N#CCc1ccc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000602775077 1033153729 /nfs/dbraw/zinc/15/37/29/1033153729.db2.gz FVHMPGYDFVXOHS-SAABIXHNSA-N 1 2 349.438 3.692 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000342005670 1023754597 /nfs/dbraw/zinc/75/45/97/1023754597.db2.gz ZJEIQYQCKSXCMP-UHFFFAOYSA-N 1 2 345.443 3.701 20 30 EHEDLO C=CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(C#N)c1 ZINC000063300316 1033174645 /nfs/dbraw/zinc/17/46/45/1033174645.db2.gz CPDRTRRHNGEGAT-UHFFFAOYSA-N 1 2 326.403 3.871 20 30 EHEDLO C=CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(C#N)c1 ZINC000063300316 1033174654 /nfs/dbraw/zinc/17/46/54/1033174654.db2.gz CPDRTRRHNGEGAT-UHFFFAOYSA-N 1 2 326.403 3.871 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300733 1033176760 /nfs/dbraw/zinc/17/67/60/1033176760.db2.gz PONZTQSVOMRNGK-UHFFFAOYSA-N 1 2 345.446 3.526 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1cccc(C#N)c1 ZINC000063300733 1033176768 /nfs/dbraw/zinc/17/67/68/1033176768.db2.gz PONZTQSVOMRNGK-UHFFFAOYSA-N 1 2 345.446 3.526 20 30 EHEDLO O=C(NC1CCC(C(=O)NCc2ccn3cc[nH+]c3c2)CC1)C1CC1 ZINC000330008953 1024285376 /nfs/dbraw/zinc/28/53/76/1024285376.db2.gz HBAZWVHLNDJGHC-UHFFFAOYSA-N 1 2 340.427 3.716 20 30 EHEDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1OC ZINC000428319012 1024329776 /nfs/dbraw/zinc/32/97/76/1024329776.db2.gz IJOIIFKKKULHGX-LLVKDONJSA-N 1 2 332.350 3.704 20 30 EHEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330140611 1024332884 /nfs/dbraw/zinc/33/28/84/1024332884.db2.gz XDEVHQZWJYYOGA-ZWOKBUDYSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330140611 1024332899 /nfs/dbraw/zinc/33/28/99/1024332899.db2.gz XDEVHQZWJYYOGA-ZWOKBUDYSA-N 1 2 346.471 3.550 20 30 EHEDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000330197138 1024350590 /nfs/dbraw/zinc/35/05/90/1024350590.db2.gz RJUHMWXLGIFFSZ-ZBFHGGJFSA-N 1 2 349.450 3.742 20 30 EHEDLO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000330197138 1024350605 /nfs/dbraw/zinc/35/06/05/1024350605.db2.gz RJUHMWXLGIFFSZ-ZBFHGGJFSA-N 1 2 349.450 3.742 20 30 EHEDLO CC1(C)C[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C(C)(C)O1 ZINC000330254454 1024372378 /nfs/dbraw/zinc/37/23/78/1024372378.db2.gz AWHNOBRQVXRVKR-KRWDZBQOSA-N 1 2 341.455 3.777 20 30 EHEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000602865716 1033217093 /nfs/dbraw/zinc/21/70/93/1033217093.db2.gz XNVTVEOXQKZWFI-IUCAKERBSA-N 1 2 333.741 3.578 20 30 EHEDLO C[C@H](CC1CCCCC1)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330315414 1024692263 /nfs/dbraw/zinc/69/22/63/1024692263.db2.gz POZUMGIQJCRHKV-CRAIPNDOSA-N 1 2 331.460 3.808 20 30 EHEDLO CC(C)(C)c1nnc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)[nH]1 ZINC000330327490 1024783858 /nfs/dbraw/zinc/78/38/58/1024783858.db2.gz KYONSNFULLQABF-CQSZACIVSA-N 1 2 341.459 3.602 20 30 EHEDLO CC(C)(C)c1nnc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)[nH]1 ZINC000330327490 1024783866 /nfs/dbraw/zinc/78/38/66/1024783866.db2.gz KYONSNFULLQABF-CQSZACIVSA-N 1 2 341.459 3.602 20 30 EHEDLO CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)cc1OC ZINC000346643903 1024985622 /nfs/dbraw/zinc/98/56/22/1024985622.db2.gz AFUYKVDKOMUECP-UHFFFAOYSA-N 1 2 349.434 3.850 20 30 EHEDLO CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)cc1OC ZINC000346643903 1024985630 /nfs/dbraw/zinc/98/56/30/1024985630.db2.gz AFUYKVDKOMUECP-UHFFFAOYSA-N 1 2 349.434 3.850 20 30 EHEDLO Cc1c(Cl)cccc1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330352719 1025098104 /nfs/dbraw/zinc/09/81/04/1025098104.db2.gz NQYWIZDYLCPHKG-WBMJQRKESA-N 1 2 348.834 3.628 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cccc(F)c3C#N)CC2)cc1 ZINC000428251065 1025318533 /nfs/dbraw/zinc/31/85/33/1025318533.db2.gz YBFJUCUIYDRYEK-UHFFFAOYSA-N 1 2 335.382 3.612 20 30 EHEDLO O=C(NCc1nc2cc(Cl)ccc2s1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329007975 1025568122 /nfs/dbraw/zinc/56/81/22/1025568122.db2.gz YOFQQLPIXUZQME-JTQLQIEISA-N 1 2 346.843 3.865 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC(C)(C)[C@@H]1C1CC1)C2 ZINC000329626252 1026101848 /nfs/dbraw/zinc/10/18/48/1026101848.db2.gz TWIJTEKXVFLDRK-YOEHRIQHSA-N 1 2 344.503 3.530 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000054271977 1026988386 /nfs/dbraw/zinc/98/83/86/1026988386.db2.gz RBSNUWDQTWSVDX-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1ccc(OC)cc1 ZINC000054271977 1026988391 /nfs/dbraw/zinc/98/83/91/1026988391.db2.gz RBSNUWDQTWSVDX-UHFFFAOYSA-N 1 2 344.842 3.975 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(CNc2nc(C)[nH+]c3c2CCCC3)c1 ZINC000302061386 1027040062 /nfs/dbraw/zinc/04/00/62/1027040062.db2.gz TUJFROQLVKKNFN-MRXNPFEDSA-N 1 2 336.439 3.957 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000127167384 1027279601 /nfs/dbraw/zinc/27/96/01/1027279601.db2.gz YZSMKLUZIFUPER-FQEVSTJZSA-N 1 2 325.408 3.531 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000127167384 1027279617 /nfs/dbraw/zinc/27/96/17/1027279617.db2.gz YZSMKLUZIFUPER-FQEVSTJZSA-N 1 2 325.408 3.531 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268303614 1027459644 /nfs/dbraw/zinc/45/96/44/1027459644.db2.gz YOIZXZLLMVSQDK-ACJLOTCBSA-N 1 2 349.413 3.838 20 30 EHEDLO C=CC1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000455114109 1027726420 /nfs/dbraw/zinc/72/64/20/1027726420.db2.gz YVNMLFWBPQOTKJ-UHFFFAOYSA-N 1 2 344.846 3.633 20 30 EHEDLO Cc1cc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(C)[nH+]1 ZINC000420844392 1027785820 /nfs/dbraw/zinc/78/58/20/1027785820.db2.gz GTJZJLWMYSXRNT-PMACEKPBSA-N 1 2 348.450 3.680 20 30 EHEDLO C=CC(C)(C)CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455369079 1028076182 /nfs/dbraw/zinc/07/61/82/1028076182.db2.gz PNUPDPDOHADEPS-GOSISDBHSA-N 1 2 340.471 3.753 20 30 EHEDLO C=CCC1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCCC1 ZINC000455444449 1028183443 /nfs/dbraw/zinc/18/34/43/1028183443.db2.gz XXDJHVXGMXWBBZ-UHFFFAOYSA-N 1 2 339.443 3.584 20 30 EHEDLO Cc1cc(C)cc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502534457 1028310041 /nfs/dbraw/zinc/31/00/41/1028310041.db2.gz NPYDZUABJZKQEV-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO Cc1cc(C)cc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502534457 1028310060 /nfs/dbraw/zinc/31/00/60/1028310060.db2.gz NPYDZUABJZKQEV-UHFFFAOYSA-N 1 2 345.446 3.903 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cnc(N2CCCC2)nc1 ZINC000536631705 1028347371 /nfs/dbraw/zinc/34/73/71/1028347371.db2.gz YGJAJPDGLANBDX-UHFFFAOYSA-N 1 2 348.903 3.980 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cnc(N2CCCC2)nc1 ZINC000536631705 1028347385 /nfs/dbraw/zinc/34/73/85/1028347385.db2.gz YGJAJPDGLANBDX-UHFFFAOYSA-N 1 2 348.903 3.980 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OC3CCCC3)CC2)c1C ZINC000195321306 1028630015 /nfs/dbraw/zinc/63/00/15/1028630015.db2.gz PLVMFVMXYXTFNX-UHFFFAOYSA-N 1 2 344.499 3.897 20 30 EHEDLO CC(C)(C#N)CCC[S@@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445543546 1028905383 /nfs/dbraw/zinc/90/53/83/1028905383.db2.gz WNISXSDYMSXXHZ-HSZRJFAPSA-N 1 2 329.469 3.510 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1Cl ZINC000445799720 1029138432 /nfs/dbraw/zinc/13/84/32/1029138432.db2.gz PYRHZJHCIVMXIU-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1Cl ZINC000445799720 1029138441 /nfs/dbraw/zinc/13/84/41/1029138441.db2.gz PYRHZJHCIVMXIU-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272472054 1029472658 /nfs/dbraw/zinc/47/26/58/1029472658.db2.gz ADOCYUDLAKZXBH-LBPRGKRZSA-N 1 2 339.361 3.658 20 30 EHEDLO C#CC[N@@H+](CN1C(=O)C[C@@H]1c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000054516505 1029689687 /nfs/dbraw/zinc/68/96/87/1029689687.db2.gz MUJKWFUFBDJSRE-NHCUHLMSSA-N 1 2 330.431 3.540 20 30 EHEDLO C#CC[N@H+](CN1C(=O)C[C@@H]1c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000054516505 1029689697 /nfs/dbraw/zinc/68/96/97/1029689697.db2.gz MUJKWFUFBDJSRE-NHCUHLMSSA-N 1 2 330.431 3.540 20 30 EHEDLO Cc1cccc(CCCNc2nc3cc(Cl)ccn3c2C#N)[nH+]1 ZINC000343227609 1029828235 /nfs/dbraw/zinc/82/82/35/1029828235.db2.gz UXOUTOHBZBWMEC-UHFFFAOYSA-N 1 2 325.803 3.608 20 30 EHEDLO N#CCc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000455703308 1029850688 /nfs/dbraw/zinc/85/06/88/1029850688.db2.gz MHYBNOKRSSXSJA-CYBMUJFWSA-N 1 2 343.818 3.541 20 30 EHEDLO C=CCCCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000156808546 1030038360 /nfs/dbraw/zinc/03/83/60/1030038360.db2.gz JKRAECPQFNTVRL-UHFFFAOYSA-N 1 2 342.399 3.599 20 30 EHEDLO C=CCC1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000448703677 1030233890 /nfs/dbraw/zinc/23/38/90/1030233890.db2.gz CWQAQFPWAXORCK-UHFFFAOYSA-N 1 2 327.472 3.693 20 30 EHEDLO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000593019064 1033819470 /nfs/dbraw/zinc/81/94/70/1033819470.db2.gz OSOFAGIYIJDFBC-INIZCTEOSA-N 1 2 330.413 3.646 20 30 EHEDLO CC(C)(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1cccs1 ZINC000595617103 1033928812 /nfs/dbraw/zinc/92/88/12/1033928812.db2.gz ULPIJUGUWXUIHT-YOEHRIQHSA-N 1 2 333.501 3.577 20 30 EHEDLO CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1cccs1 ZINC000595617103 1033928826 /nfs/dbraw/zinc/92/88/26/1033928826.db2.gz ULPIJUGUWXUIHT-YOEHRIQHSA-N 1 2 333.501 3.577 20 30 EHEDLO CC(C)[N@H+](CCC#N)CC1=Cc2cc(Br)ccc2OC1 ZINC000534337497 1034436130 /nfs/dbraw/zinc/43/61/30/1034436130.db2.gz BDPQOAOMFQABJJ-UHFFFAOYSA-N 1 2 335.245 3.849 20 30 EHEDLO CC(C)[N@@H+](CCC#N)CC1=Cc2cc(Br)ccc2OC1 ZINC000534337497 1034436139 /nfs/dbraw/zinc/43/61/39/1034436139.db2.gz BDPQOAOMFQABJJ-UHFFFAOYSA-N 1 2 335.245 3.849 20 30 EHEDLO CCCCn1c(S[C@@H]2CC[C@H](C#N)C2)nnc1[C@H](CC)[NH+](C)C ZINC000450586085 1034550026 /nfs/dbraw/zinc/55/00/26/1034550026.db2.gz BCANDZQYOQDROI-ZNMIVQPWSA-N 1 2 335.521 3.875 20 30 EHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000612406451 1034888128 /nfs/dbraw/zinc/88/81/28/1034888128.db2.gz MNGGINYIGYBJKN-FQEVSTJZSA-N 1 2 333.439 3.589 20 30 EHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000612406451 1034888134 /nfs/dbraw/zinc/88/81/34/1034888134.db2.gz MNGGINYIGYBJKN-FQEVSTJZSA-N 1 2 333.439 3.589 20 30 EHEDLO Cc1cc(Br)cn2c(CN3CCC[C@](C)(C#N)C3)c[nH+]c12 ZINC000612406522 1034890752 /nfs/dbraw/zinc/89/07/52/1034890752.db2.gz OMJDGCBUYPMJGK-MRXNPFEDSA-N 1 2 347.260 3.531 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000065959839 1035027716 /nfs/dbraw/zinc/02/77/16/1035027716.db2.gz QQUJAWUDGPSNAD-UHFFFAOYSA-N 1 2 336.435 3.558 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000065959839 1035027727 /nfs/dbraw/zinc/02/77/27/1035027727.db2.gz QQUJAWUDGPSNAD-UHFFFAOYSA-N 1 2 336.435 3.558 20 30 EHEDLO CC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc(C#N)c1O ZINC000924550012 1035073779 /nfs/dbraw/zinc/07/37/79/1035073779.db2.gz PCKYEQCZVCSLEZ-HZPDHXFCSA-N 1 2 329.469 3.669 20 30 EHEDLO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc(C#N)c1O ZINC000924550008 1035074190 /nfs/dbraw/zinc/07/41/90/1035074190.db2.gz PCKYEQCZVCSLEZ-CVEARBPZSA-N 1 2 329.469 3.669 20 30 EHEDLO CC(C)(C#N)C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000612585128 1035078149 /nfs/dbraw/zinc/07/81/49/1035078149.db2.gz PFJKDJDTMVBRPU-UHFFFAOYSA-N 1 2 333.176 3.690 20 30 EHEDLO N#CCC[C@@H](C#N)C[NH+]1CC(Cc2ccccc2)(c2ccccc2)C1 ZINC000414155326 1035805327 /nfs/dbraw/zinc/80/53/27/1035805327.db2.gz NBZFAACKNAQCLQ-FQEVSTJZSA-N 1 2 329.447 3.926 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCc3ccccc3C2)c(C#N)c1C ZINC000171595262 1035844396 /nfs/dbraw/zinc/84/43/96/1035844396.db2.gz FGULCVVLJLJVIR-AWEZNQCLSA-N 1 2 337.423 3.544 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCc3ccccc3C2)c(C#N)c1C ZINC000171595262 1035844417 /nfs/dbraw/zinc/84/44/17/1035844417.db2.gz FGULCVVLJLJVIR-AWEZNQCLSA-N 1 2 337.423 3.544 20 30 EHEDLO Cc1cc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)ccc1C#N ZINC000443967403 1036070465 /nfs/dbraw/zinc/07/04/65/1036070465.db2.gz CXSOGEPWFPOWPV-LJQANCHMSA-N 1 2 334.398 3.619 20 30 EHEDLO Cc1cc(CNc2ccccc2OCCn2cc[nH+]c2)ccc1C#N ZINC000443982221 1036148178 /nfs/dbraw/zinc/14/81/78/1036148178.db2.gz ANFMYBUEARWTMI-UHFFFAOYSA-N 1 2 332.407 3.754 20 30 EHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)c[nH+]c12 ZINC000165007308 1036193097 /nfs/dbraw/zinc/19/30/97/1036193097.db2.gz FSRSJDTZNKOKPK-VQHVLOKHSA-N 1 2 345.402 3.769 20 30 EHEDLO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccon1 ZINC000541779764 1036634495 /nfs/dbraw/zinc/63/44/95/1036634495.db2.gz HYFQSVUFMMHVDC-OAHLLOKOSA-N 1 2 333.391 3.976 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000589996742 1036693847 /nfs/dbraw/zinc/69/38/47/1036693847.db2.gz PLCDZRAKKUERSI-ZWKOTPCHSA-N 1 2 342.393 3.530 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000589996742 1036693854 /nfs/dbraw/zinc/69/38/54/1036693854.db2.gz PLCDZRAKKUERSI-ZWKOTPCHSA-N 1 2 342.393 3.530 20 30 EHEDLO CC(C)(C#N)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000168934037 1036867960 /nfs/dbraw/zinc/86/79/60/1036867960.db2.gz SPWNADHUPBTQRF-UHFFFAOYSA-N 1 2 333.176 3.690 20 30 EHEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)nn1 ZINC000653615719 1036976124 /nfs/dbraw/zinc/97/61/24/1036976124.db2.gz VXVBLRXGSKIGSB-AWEZNQCLSA-N 1 2 340.427 3.768 20 30 EHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000152868892 1037029076 /nfs/dbraw/zinc/02/90/76/1037029076.db2.gz HOIHYQXIKKOVTN-CQSZACIVSA-N 1 2 329.831 3.683 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccco2)c1 ZINC000042334490 1037350829 /nfs/dbraw/zinc/35/08/29/1037350829.db2.gz QSERLKVCAAOAIY-QGZVFWFLSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccco2)c1 ZINC000042334490 1037350836 /nfs/dbraw/zinc/35/08/36/1037350836.db2.gz QSERLKVCAAOAIY-QGZVFWFLSA-N 1 2 339.439 3.664 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C(C)C ZINC000491630966 1037595639 /nfs/dbraw/zinc/59/56/39/1037595639.db2.gz QTWQEVDVPJZEOE-GOSISDBHSA-N 1 2 341.480 3.884 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000491656607 1037606877 /nfs/dbraw/zinc/60/68/77/1037606877.db2.gz JFJAVGCUELWGJK-CQSZACIVSA-N 1 2 349.837 3.518 20 30 EHEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000491656607 1037606886 /nfs/dbraw/zinc/60/68/86/1037606886.db2.gz JFJAVGCUELWGJK-CQSZACIVSA-N 1 2 349.837 3.518 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000491696773 1037639619 /nfs/dbraw/zinc/63/96/19/1037639619.db2.gz FMIVFKUJIOFTPN-FQEVSTJZSA-N 1 2 337.373 3.674 20 30 EHEDLO COc1ccc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cc1C#N ZINC000179762599 1037913484 /nfs/dbraw/zinc/91/34/84/1037913484.db2.gz YXQJFFIQORKFSM-OAQYLSRUSA-N 1 2 347.393 3.980 20 30 EHEDLO C=CCCC(C)(C)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000663813396 1038857378 /nfs/dbraw/zinc/85/73/78/1038857378.db2.gz IUHMHSFTRXADEW-UHFFFAOYSA-N 1 2 330.407 3.555 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@H]2C)c1=S ZINC000173520986 1039085643 /nfs/dbraw/zinc/08/56/43/1039085643.db2.gz BBXASLKJRJPCFR-OAHLLOKOSA-N 1 2 328.485 3.633 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@H]2C)c1=S ZINC000173520986 1039085665 /nfs/dbraw/zinc/08/56/65/1039085665.db2.gz BBXASLKJRJPCFR-OAHLLOKOSA-N 1 2 328.485 3.633 20 30 EHEDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(Br)cc1C#N ZINC000312332513 1039169194 /nfs/dbraw/zinc/16/91/94/1039169194.db2.gz UMMVIMXJUYFYHP-VIFPVBQESA-N 1 2 334.217 3.776 20 30 EHEDLO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCOc3ccccc3C#N)[nH]c2c1 ZINC000570201161 1039300543 /nfs/dbraw/zinc/30/05/43/1039300543.db2.gz NDHFLQMVGAVNTE-LJQANCHMSA-N 1 2 346.434 3.959 20 30 EHEDLO Cc1ccc2nc([C@H]3CCC[N@H+]3CCOc3ccccc3C#N)[nH]c2c1 ZINC000570201161 1039300562 /nfs/dbraw/zinc/30/05/62/1039300562.db2.gz NDHFLQMVGAVNTE-LJQANCHMSA-N 1 2 346.434 3.959 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000485699895 1039448630 /nfs/dbraw/zinc/44/86/30/1039448630.db2.gz IPNJHNRIBVEDQM-UHFFFAOYSA-N 1 2 330.428 3.844 20 30 EHEDLO C=CC[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000489017624 1039548045 /nfs/dbraw/zinc/54/80/45/1039548045.db2.gz SNTPYHLRMHHGIQ-HXUWFJFHSA-N 1 2 331.419 3.848 20 30 EHEDLO C#Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000907808859 1040198610 /nfs/dbraw/zinc/19/86/10/1040198610.db2.gz HKDZEOGVFXOMBZ-GOSISDBHSA-N 1 2 347.462 3.726 20 30 EHEDLO C#Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000907808859 1040198620 /nfs/dbraw/zinc/19/86/20/1040198620.db2.gz HKDZEOGVFXOMBZ-GOSISDBHSA-N 1 2 347.462 3.726 20 30 EHEDLO C=CC[N@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccc(OC)cc1 ZINC000667534492 1040495476 /nfs/dbraw/zinc/49/54/76/1040495476.db2.gz AQZXCELKORDPCV-UHFFFAOYSA-N 1 2 339.361 3.636 20 30 EHEDLO C=CC[N@@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccc(OC)cc1 ZINC000667534492 1040495492 /nfs/dbraw/zinc/49/54/92/1040495492.db2.gz AQZXCELKORDPCV-UHFFFAOYSA-N 1 2 339.361 3.636 20 30 EHEDLO C=CC1CC[NH+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CC1 ZINC000111257745 1041535964 /nfs/dbraw/zinc/53/59/64/1041535964.db2.gz DOQWQUNPXBEDMY-UHFFFAOYSA-N 1 2 341.436 3.643 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000661380277 1042094119 /nfs/dbraw/zinc/09/41/19/1042094119.db2.gz LYOKJLWROOQIFD-CYBMUJFWSA-N 1 2 337.261 3.676 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000661380277 1042094127 /nfs/dbraw/zinc/09/41/27/1042094127.db2.gz LYOKJLWROOQIFD-CYBMUJFWSA-N 1 2 337.261 3.676 20 30 EHEDLO C=CCC(CC=C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278915673 1042934298 /nfs/dbraw/zinc/93/42/98/1042934298.db2.gz HTNHPDMLDLEBAB-UHFFFAOYSA-N 1 2 327.472 3.694 20 30 EHEDLO COC(=O)c1oc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000076154280 1125539761 /nfs/dbraw/zinc/53/97/61/1125539761.db2.gz RNGMWCDXUZKGSV-ROUUACIJSA-N 1 2 338.407 3.646 20 30 EHEDLO COC(=O)c1oc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000076154280 1125539766 /nfs/dbraw/zinc/53/97/66/1125539766.db2.gz RNGMWCDXUZKGSV-ROUUACIJSA-N 1 2 338.407 3.646 20 30 EHEDLO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000185467033 1126902999 /nfs/dbraw/zinc/90/29/99/1126902999.db2.gz LWOMSVCVPAPIQE-OAHLLOKOSA-N 1 2 336.826 3.623 20 30 EHEDLO C(=NNCc1cnc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000764776301 1127532850 /nfs/dbraw/zinc/53/28/50/1127532850.db2.gz WAVCTDJEBMWHIY-UHFFFAOYSA-N 1 2 327.391 3.544 20 30 EHEDLO C=CCOc1ccc(-c2nn(C[N@H+](C)CC3CC3)c(=S)o2)cc1 ZINC000764895925 1127548962 /nfs/dbraw/zinc/54/89/62/1127548962.db2.gz BSCVFXIBXBPWCG-UHFFFAOYSA-N 1 2 331.441 3.737 20 30 EHEDLO C=CCOc1ccc(-c2nn(C[N@@H+](C)CC3CC3)c(=S)o2)cc1 ZINC000764895925 1127548964 /nfs/dbraw/zinc/54/89/64/1127548964.db2.gz BSCVFXIBXBPWCG-UHFFFAOYSA-N 1 2 331.441 3.737 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000765050142 1127566972 /nfs/dbraw/zinc/56/69/72/1127566972.db2.gz VDVKAPCDACQZSU-HUUCEWRRSA-N 1 2 343.500 3.597 20 30 EHEDLO CC(=O)c1ccc(C#N)c(NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000302044962 1128616475 /nfs/dbraw/zinc/61/64/75/1128616475.db2.gz TWNZLVKOHVVOHY-UHFFFAOYSA-N 1 2 330.391 3.618 20 30 EHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000305063942 1128764682 /nfs/dbraw/zinc/76/46/82/1128764682.db2.gz QTMFETIYOXZEQN-FQEVSTJZSA-N 1 2 342.389 3.782 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944210 1120436722 /nfs/dbraw/zinc/43/67/22/1120436722.db2.gz VVLNAHRBZIBCIE-JCURWCKSSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944210 1120436728 /nfs/dbraw/zinc/43/67/28/1120436728.db2.gz VVLNAHRBZIBCIE-JCURWCKSSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CCN(CC=C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000193605061 1120787396 /nfs/dbraw/zinc/78/73/96/1120787396.db2.gz JZJFOXVKECITHD-IAGOWNOFSA-N 1 2 343.471 3.502 20 30 EHEDLO Cc1cccc(C)c1OCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757619 1120886397 /nfs/dbraw/zinc/88/63/97/1120886397.db2.gz LMLYSXBLCSOFGP-FQEVSTJZSA-N 1 2 336.435 3.627 20 30 EHEDLO Cc1cccc(C)c1OCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757619 1120886400 /nfs/dbraw/zinc/88/64/00/1120886400.db2.gz LMLYSXBLCSOFGP-FQEVSTJZSA-N 1 2 336.435 3.627 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@H](C)C(C)C)c1=S ZINC000915208857 1121252889 /nfs/dbraw/zinc/25/28/89/1121252889.db2.gz IDPBYABQKXFUKW-CQSZACIVSA-N 1 2 331.489 3.596 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@H](C)C(C)C)c1=S ZINC000915208857 1121252896 /nfs/dbraw/zinc/25/28/96/1121252896.db2.gz IDPBYABQKXFUKW-CQSZACIVSA-N 1 2 331.489 3.596 20 30 EHEDLO C[C@H](C#N)Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000032875832 1122177794 /nfs/dbraw/zinc/17/77/94/1122177794.db2.gz VCGQOMMDNLPRNO-CABCVRRESA-N 1 2 341.484 3.818 20 30 EHEDLO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccn1 ZINC000125301335 1122311922 /nfs/dbraw/zinc/31/19/22/1122311922.db2.gz CBQOPFPKHYBOBA-UHFFFAOYSA-N 1 2 346.434 3.655 20 30 EHEDLO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccn1 ZINC000125301335 1122311927 /nfs/dbraw/zinc/31/19/27/1122311927.db2.gz CBQOPFPKHYBOBA-UHFFFAOYSA-N 1 2 346.434 3.655 20 30 EHEDLO Cc1ccccc1CC(N)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154449573 1122649310 /nfs/dbraw/zinc/64/93/10/1122649310.db2.gz QLBYROQYJCHZPL-UHFFFAOYSA-N 1 2 329.347 3.502 20 30 EHEDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000920175349 1123332755 /nfs/dbraw/zinc/33/27/55/1123332755.db2.gz VSOXSPVKTAOEHM-KQHYAQLKSA-N 1 2 339.395 3.555 20 30 EHEDLO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000920175349 1123332759 /nfs/dbraw/zinc/33/27/59/1123332759.db2.gz VSOXSPVKTAOEHM-KQHYAQLKSA-N 1 2 339.395 3.555 20 30 EHEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1cccs1 ZINC000079898156 1123730318 /nfs/dbraw/zinc/73/03/18/1123730318.db2.gz LQBYEVMYGPQGJU-UHFFFAOYSA-N 1 2 335.494 3.600 20 30 EHEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1cccs1 ZINC000079898156 1123730323 /nfs/dbraw/zinc/73/03/23/1123730323.db2.gz LQBYEVMYGPQGJU-UHFFFAOYSA-N 1 2 335.494 3.600 20 30 EHEDLO C#Cc1ccc([C@H](OC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(F)(F)F)cc1 ZINC001128968209 1130294064 /nfs/dbraw/zinc/29/40/64/1130294064.db2.gz HCBMHTFQIJDIBS-HOTGVXAUSA-N 1 2 339.357 3.687 20 30 EHEDLO C#Cc1ccc([C@H](OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(F)(F)F)cc1 ZINC001128968209 1130294069 /nfs/dbraw/zinc/29/40/69/1130294069.db2.gz HCBMHTFQIJDIBS-HOTGVXAUSA-N 1 2 339.357 3.687 20 30 EHEDLO CCCCCCC[C@@H](CCC)[NH2+][C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001172500599 1131759819 /nfs/dbraw/zinc/75/98/19/1131759819.db2.gz AWJLSMPHKPRHRR-CVEARBPZSA-N 1 2 342.524 3.691 20 30 EHEDLO CCCCCCC[C@H](CCC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001172501405 1131760849 /nfs/dbraw/zinc/76/08/49/1131760849.db2.gz HHQZSTSQBLBLKC-HOTGVXAUSA-N 1 2 329.481 3.600 20 30 EHEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC(Cc2ccccc2)CC1)C(=O)OCC ZINC001172819459 1131851296 /nfs/dbraw/zinc/85/12/96/1131851296.db2.gz ISFJTAOSNVIKJA-LQPXBXSXSA-N 1 2 327.468 3.885 20 30 EHEDLO CC(C)(C)OC[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173324722 1132046399 /nfs/dbraw/zinc/04/63/99/1132046399.db2.gz UYKZEIQAYHKSIA-GPANFISMSA-N 1 2 338.492 3.574 20 30 EHEDLO COc1ccccc1[C@H]([NH2+]C1CCC(CC#N)CC1)c1nnc(C)o1 ZINC001173333577 1132050270 /nfs/dbraw/zinc/05/02/70/1132050270.db2.gz NXMLFGZEPIYJCK-JMLCCBQJSA-N 1 2 340.427 3.538 20 30 EHEDLO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000745991291 1132344727 /nfs/dbraw/zinc/34/47/27/1132344727.db2.gz VIKJNGPNAQSDRY-MJBXVCDLSA-N 1 2 327.453 3.593 20 30 EHEDLO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000745991291 1132344733 /nfs/dbraw/zinc/34/47/33/1132344733.db2.gz VIKJNGPNAQSDRY-MJBXVCDLSA-N 1 2 327.453 3.593 20 30 EHEDLO N#Cc1cnn(-c2ccccc2)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523437 1132400680 /nfs/dbraw/zinc/40/06/80/1132400680.db2.gz NSDHZVYLUHPKOH-UHFFFAOYSA-N 1 2 344.422 3.873 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC001174976838 1132511588 /nfs/dbraw/zinc/51/15/88/1132511588.db2.gz DFIKPSUNDVWZLH-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO CCCCCCCCCCN(C)C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC001175077890 1132560666 /nfs/dbraw/zinc/56/06/66/1132560666.db2.gz TYRKCBZHTQZKHO-UHFFFAOYSA-N 1 2 348.535 3.931 20 30 EHEDLO CCCCCCCCCCN(C)C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC001175077890 1132560672 /nfs/dbraw/zinc/56/06/72/1132560672.db2.gz TYRKCBZHTQZKHO-UHFFFAOYSA-N 1 2 348.535 3.931 20 30 EHEDLO COc1cc(C#N)ccc1CO[NH+]=C(N)c1cccc2ccccc21 ZINC000766742018 1132777546 /nfs/dbraw/zinc/77/75/46/1132777546.db2.gz OOCLWQPXIUQVJT-UHFFFAOYSA-N 1 2 331.375 3.767 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1Cl ZINC000769297683 1133256050 /nfs/dbraw/zinc/25/60/50/1133256050.db2.gz HSDLCEPJASANAS-INIZCTEOSA-N 1 2 337.847 3.632 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc1Cl ZINC000769297683 1133256056 /nfs/dbraw/zinc/25/60/56/1133256056.db2.gz HSDLCEPJASANAS-INIZCTEOSA-N 1 2 337.847 3.632 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(C(C)(C)C)oc2C)c1 ZINC001180161614 1133340462 /nfs/dbraw/zinc/34/04/62/1133340462.db2.gz JFKBAKJETRAOMK-UHFFFAOYSA-N 1 2 338.451 3.937 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(C(C)(C)C)oc2C)c1 ZINC001180161614 1133340467 /nfs/dbraw/zinc/34/04/67/1133340467.db2.gz JFKBAKJETRAOMK-UHFFFAOYSA-N 1 2 338.451 3.937 20 30 EHEDLO COC(=O)c1cc(Cl)ccc1C(=O)/C=C/c1cccc2[nH+]ccn21 ZINC000787179275 1133967573 /nfs/dbraw/zinc/96/75/73/1133967573.db2.gz OYEKFGANIYHZPH-SOFGYWHQSA-N 1 2 340.766 3.670 20 30 EHEDLO N#Cc1ccc(Oc2cccc(Nc3[nH+]cnc4[nH]ccc43)c2)nc1 ZINC001185488274 1134096677 /nfs/dbraw/zinc/09/66/77/1134096677.db2.gz IGDGPRBWJGHPMX-UHFFFAOYSA-N 1 2 328.335 3.760 20 30 EHEDLO CC(C)(C)OC(=O)Cc1ccc[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC001170091179 1134177121 /nfs/dbraw/zinc/17/71/21/1134177121.db2.gz YZSKIQDRHVKREG-UHFFFAOYSA-N 1 2 341.386 3.589 20 30 EHEDLO O=c1[nH]ccc2cc(N[NH+]=Cc3ccc(N4CCCCC4)o3)ccc21 ZINC000789059358 1134213711 /nfs/dbraw/zinc/21/37/11/1134213711.db2.gz AJEOFNKAUSFODU-UHFFFAOYSA-N 1 2 336.395 3.557 20 30 EHEDLO N#CCc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000791647428 1134585298 /nfs/dbraw/zinc/58/52/98/1134585298.db2.gz VKRSRFSDOZJQIL-NRFANRHFSA-N 1 2 348.446 3.851 20 30 EHEDLO N#CCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000791647428 1134585300 /nfs/dbraw/zinc/58/53/00/1134585300.db2.gz VKRSRFSDOZJQIL-NRFANRHFSA-N 1 2 348.446 3.851 20 30 EHEDLO CCN(CC)c1ncc(C=[NH+]Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000747062525 1134676436 /nfs/dbraw/zinc/67/64/36/1134676436.db2.gz ZVJODOQCUWMQRA-UHFFFAOYSA-N 1 2 333.417 3.652 20 30 EHEDLO C=CCc1cc(C)c[nH+]c1NCc1ccc(S(=O)(=O)CC)cc1 ZINC001170321793 1134747370 /nfs/dbraw/zinc/74/73/70/1134747370.db2.gz PGGMXAFNUHODBN-UHFFFAOYSA-N 1 2 330.453 3.524 20 30 EHEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001192305180 1135001994 /nfs/dbraw/zinc/00/19/94/1135001994.db2.gz WIDLAUTYSMSCRK-KGLIPLIRSA-N 1 2 337.398 3.644 20 30 EHEDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001192305180 1135002000 /nfs/dbraw/zinc/00/20/00/1135002000.db2.gz WIDLAUTYSMSCRK-KGLIPLIRSA-N 1 2 337.398 3.644 20 30 EHEDLO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccn2)c(Br)c1 ZINC001192525306 1135031508 /nfs/dbraw/zinc/03/15/08/1135031508.db2.gz JBMRDFWCVHQILB-LLVKDONJSA-N 1 2 346.228 3.575 20 30 EHEDLO CCCCCCCCCCOC(=O)NCc1c[nH+]cn1CCOC ZINC001194928711 1135342090 /nfs/dbraw/zinc/34/20/90/1135342090.db2.gz CMGJOYKRMRGRDO-UHFFFAOYSA-N 1 2 339.480 3.896 20 30 EHEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC001195289458 1135406996 /nfs/dbraw/zinc/40/69/96/1135406996.db2.gz NJJJCEATCWGUNO-HIFRSBDPSA-N 1 2 332.419 3.640 20 30 EHEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1C#N ZINC001195289458 1135406998 /nfs/dbraw/zinc/40/69/98/1135406998.db2.gz NJJJCEATCWGUNO-HIFRSBDPSA-N 1 2 332.419 3.640 20 30 EHEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC001195289460 1135407092 /nfs/dbraw/zinc/40/70/92/1135407092.db2.gz NJJJCEATCWGUNO-ZFWWWQNUSA-N 1 2 332.419 3.640 20 30 EHEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(F)cc1C#N ZINC001195289460 1135407097 /nfs/dbraw/zinc/40/70/97/1135407097.db2.gz NJJJCEATCWGUNO-ZFWWWQNUSA-N 1 2 332.419 3.640 20 30 EHEDLO C[Si](C)(C)c1ccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC001196789221 1135610587 /nfs/dbraw/zinc/61/05/87/1135610587.db2.gz IHFXIOOUERYYMK-NRFANRHFSA-N 1 2 349.554 3.684 20 30 EHEDLO C[Si](C)(C)c1ccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC001196789221 1135610590 /nfs/dbraw/zinc/61/05/90/1135610590.db2.gz IHFXIOOUERYYMK-NRFANRHFSA-N 1 2 349.554 3.684 20 30 EHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC#Cc1ccccc1Cl ZINC001196769763 1135612609 /nfs/dbraw/zinc/61/26/09/1135612609.db2.gz AVWJRJKZCVGQBA-GOEBONIOSA-N 1 2 348.874 3.679 20 30 EHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC#Cc1ccccc1Cl ZINC001196769763 1135612612 /nfs/dbraw/zinc/61/26/12/1135612612.db2.gz AVWJRJKZCVGQBA-GOEBONIOSA-N 1 2 348.874 3.679 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(Cc2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000775801398 1135753429 /nfs/dbraw/zinc/75/34/29/1135753429.db2.gz XSBNQDDIWPDACN-SJORKVTESA-N 1 2 346.883 3.658 20 30 EHEDLO CC(C)(C)OC(=O)N1CCCCC12C[NH+](Cc1ccc(C#N)cc1)C2 ZINC001203905407 1135814295 /nfs/dbraw/zinc/81/42/95/1135814295.db2.gz LPJWHHFREAVMJC-UHFFFAOYSA-N 1 2 341.455 3.534 20 30 EHEDLO CCCCCC[C@@H](CC)[NH2+][C@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001170591242 1135904138 /nfs/dbraw/zinc/90/41/38/1135904138.db2.gz BAVHZHNMTJFJPC-RTBURBONSA-N 1 2 330.472 3.981 20 30 EHEDLO C=C(Br)C[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000747681030 1136053210 /nfs/dbraw/zinc/05/32/10/1136053210.db2.gz FWJQRVHOOBUDGB-AWEZNQCLSA-N 1 2 335.289 3.811 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1 ZINC000812794300 1136251322 /nfs/dbraw/zinc/25/13/22/1136251322.db2.gz YKHSXABYGRRTCN-HNNXBMFYSA-N 1 2 334.188 3.758 20 30 EHEDLO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000852592410 1136468832 /nfs/dbraw/zinc/46/88/32/1136468832.db2.gz PBYFLVRAXJNKLZ-RBSFLKMASA-N 1 2 341.480 3.983 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H](C3CCC3)C2)nc1C1CC1 ZINC000853590346 1136546861 /nfs/dbraw/zinc/54/68/61/1136546861.db2.gz RLBAGNFJCZSOGB-INIZCTEOSA-N 1 2 332.517 3.947 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H](C3CCC3)C2)nc1C1CC1 ZINC000853590346 1136546863 /nfs/dbraw/zinc/54/68/63/1136546863.db2.gz RLBAGNFJCZSOGB-INIZCTEOSA-N 1 2 332.517 3.947 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000853665684 1136553811 /nfs/dbraw/zinc/55/38/11/1136553811.db2.gz BJVWQUWSGCXOGA-IEBWSBKVSA-N 1 2 337.423 3.601 20 30 EHEDLO CC1=C(Br)C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000797604878 1136565439 /nfs/dbraw/zinc/56/54/39/1136565439.db2.gz DYYMVGXFUMMNRR-CYBMUJFWSA-N 1 2 335.245 3.852 20 30 EHEDLO CC1=C(Br)C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000797604878 1136565443 /nfs/dbraw/zinc/56/54/43/1136565443.db2.gz DYYMVGXFUMMNRR-CYBMUJFWSA-N 1 2 335.245 3.852 20 30 EHEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1OC ZINC000816647160 1136744111 /nfs/dbraw/zinc/74/41/11/1136744111.db2.gz OCGUCFVASDWOTN-RYUDHWBXSA-N 1 2 340.261 3.863 20 30 EHEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C)[C@@H]2C)cc1OC ZINC000816647160 1136744113 /nfs/dbraw/zinc/74/41/13/1136744113.db2.gz OCGUCFVASDWOTN-RYUDHWBXSA-N 1 2 340.261 3.863 20 30 EHEDLO Nc1ccc(/C=C2/CCc3nc(-c4ccccc4)sc3C2=O)c[nH+]1 ZINC000821039434 1137014843 /nfs/dbraw/zinc/01/48/43/1137014843.db2.gz REZRRJDBEBOECU-UVTDQMKNSA-N 1 2 333.416 4.000 20 30 EHEDLO Cc1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)ccc1-n1cc[nH+]c1 ZINC001143940285 1137216743 /nfs/dbraw/zinc/21/67/43/1137216743.db2.gz XEPZVJAZMZAJRV-UHFFFAOYSA-N 1 2 344.418 3.969 20 30 EHEDLO N#Cc1cc(C(F)(F)F)cc(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000865426643 1137282851 /nfs/dbraw/zinc/28/28/51/1137282851.db2.gz CWFAOXCVYGQEOZ-UHFFFAOYSA-N 1 2 347.344 3.579 20 30 EHEDLO CCCCCCCCCS(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000845891248 1137318712 /nfs/dbraw/zinc/31/87/12/1137318712.db2.gz TYPKFLHVSVCRAH-UHFFFAOYSA-N 1 2 341.521 3.670 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144657861 1137323482 /nfs/dbraw/zinc/32/34/82/1137323482.db2.gz LCDVMLKSFKKTQA-OAHLLOKOSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144657861 1137323484 /nfs/dbraw/zinc/32/34/84/1137323484.db2.gz LCDVMLKSFKKTQA-OAHLLOKOSA-N 1 2 344.361 3.585 20 30 EHEDLO N#CC1(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CCCC1 ZINC000846010351 1137325667 /nfs/dbraw/zinc/32/56/67/1137325667.db2.gz KNFOSCITNTYCIR-UHFFFAOYSA-N 1 2 328.847 3.758 20 30 EHEDLO CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866228822 1137336509 /nfs/dbraw/zinc/33/65/09/1137336509.db2.gz NEGUGXZYPNGQCJ-AWEZNQCLSA-N 1 2 340.423 3.912 20 30 EHEDLO C[C@H]([NH2+]CCCCOCCc1ccccc1)c1cccc(C#N)c1O ZINC000866237842 1137337848 /nfs/dbraw/zinc/33/78/48/1137337848.db2.gz KODOPHOBVLDEIF-KRWDZBQOSA-N 1 2 338.451 3.954 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)CCC(=O)N2 ZINC000866238718 1137337990 /nfs/dbraw/zinc/33/79/90/1137337990.db2.gz RGGHAYWZGBQVAO-STQMWFEESA-N 1 2 335.407 3.560 20 30 EHEDLO COc1ccc(CCC[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866242144 1137338389 /nfs/dbraw/zinc/33/83/89/1137338389.db2.gz LAIGDUGJVTUFDB-AWEZNQCLSA-N 1 2 340.423 3.564 20 30 EHEDLO CCOc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)ccc1OC ZINC000866266244 1137340721 /nfs/dbraw/zinc/34/07/21/1137340721.db2.gz DNIZTKZIZWXXKS-ZDUSSCGKSA-N 1 2 326.396 3.522 20 30 EHEDLO COCCCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866356626 1137348853 /nfs/dbraw/zinc/34/88/53/1137348853.db2.gz FHUZDFYFMJOQGS-HNNXBMFYSA-N 1 2 340.423 3.530 20 30 EHEDLO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000348165441 1137447879 /nfs/dbraw/zinc/44/78/79/1137447879.db2.gz IUUKWVXXCJIRFG-ZDUSSCGKSA-N 1 2 340.423 3.860 20 30 EHEDLO Fc1ccc(C(F)(F)C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000872108356 1137571568 /nfs/dbraw/zinc/57/15/68/1137571568.db2.gz ZFAJJPAJGWVIRD-BXKDBHETSA-N 1 2 345.258 3.756 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000876559142 1137655642 /nfs/dbraw/zinc/65/56/42/1137655642.db2.gz URJAGLOTSGJSPV-SFHVURJKSA-N 1 2 341.842 3.552 20 30 EHEDLO CCOc1cccc(F)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000877498739 1137678662 /nfs/dbraw/zinc/67/86/62/1137678662.db2.gz UVFWJZLQYMHJQY-UHFFFAOYSA-N 1 2 339.414 3.677 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1)C(C)(C)C ZINC000877535084 1137680105 /nfs/dbraw/zinc/68/01/05/1137680105.db2.gz UBKIOJZCBBPLFY-QGZVFWFLSA-N 1 2 341.480 3.965 20 30 EHEDLO N#Cc1ccccc1N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000877681715 1137685564 /nfs/dbraw/zinc/68/55/64/1137685564.db2.gz AQKRMXMPUXRKOF-UHFFFAOYSA-N 1 2 341.842 3.676 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878322670 1137710896 /nfs/dbraw/zinc/71/08/96/1137710896.db2.gz MKDCTHMFGYEDTC-FSSWDIPSSA-N 1 2 348.446 3.852 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878322670 1137710897 /nfs/dbraw/zinc/71/08/97/1137710897.db2.gz MKDCTHMFGYEDTC-FSSWDIPSSA-N 1 2 348.446 3.852 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000127925117 1137755044 /nfs/dbraw/zinc/75/50/44/1137755044.db2.gz PXGOUSQHNDVNEE-ICSRJNTNSA-N 1 2 346.434 3.970 20 30 EHEDLO Cc1cc(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C)n1C1CC1 ZINC000626130142 1137767041 /nfs/dbraw/zinc/76/70/41/1137767041.db2.gz KFCYRPPTJNVMHN-UHFFFAOYSA-N 1 2 347.462 3.747 20 30 EHEDLO Cc1cc(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)n1C1CC1 ZINC000626130142 1137767042 /nfs/dbraw/zinc/76/70/42/1137767042.db2.gz KFCYRPPTJNVMHN-UHFFFAOYSA-N 1 2 347.462 3.747 20 30 EHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[NH2+]C1(c2ccccc2)CCC1 ZINC000131099772 1137846414 /nfs/dbraw/zinc/84/64/14/1137846414.db2.gz STPPDAAVDAUBQH-UHFFFAOYSA-N 1 2 343.434 3.752 20 30 EHEDLO C=CCCC[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000883587432 1137864551 /nfs/dbraw/zinc/86/45/51/1137864551.db2.gz IQFAQSYYRKEXEE-MSOLQXFVSA-N 1 2 338.455 3.595 20 30 EHEDLO C=CCCC[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000883587434 1137864611 /nfs/dbraw/zinc/86/46/11/1137864611.db2.gz IQFAQSYYRKEXEE-ROUUACIJSA-N 1 2 338.455 3.595 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccc(Cl)nc3)CC2)c1 ZINC000104713493 1137879228 /nfs/dbraw/zinc/87/92/28/1137879228.db2.gz UFIZTZQUINEHPH-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO C=CC[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000348261273 1137886397 /nfs/dbraw/zinc/88/63/97/1137886397.db2.gz MCBLIQJMBPEBEY-OAQYLSRUSA-N 1 2 345.446 3.908 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C ZINC000348271542 1137891556 /nfs/dbraw/zinc/89/15/56/1137891556.db2.gz GFBUDOHPYUXJPO-UKRRQHHQSA-N 1 2 328.378 3.746 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C ZINC000348271542 1137891557 /nfs/dbraw/zinc/89/15/57/1137891557.db2.gz GFBUDOHPYUXJPO-UKRRQHHQSA-N 1 2 328.378 3.746 20 30 EHEDLO C=CCC1(O)CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000886757390 1138133051 /nfs/dbraw/zinc/13/30/51/1138133051.db2.gz FOPPFDAIWXMDRL-UHFFFAOYSA-N 1 2 329.469 3.790 20 30 EHEDLO C=CCC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000886778650 1138139166 /nfs/dbraw/zinc/13/91/66/1138139166.db2.gz MACOLYQMSPJZSG-UHFFFAOYSA-N 1 2 345.226 3.805 20 30 EHEDLO CCOc1ccc(/C=[NH+]\CC[C@H]2CCC3(CCOCC3)CO2)c(O)c1 ZINC000887271001 1138252198 /nfs/dbraw/zinc/25/21/98/1138252198.db2.gz XZGCWWGVFYQMSG-RHTHQAGFSA-N 1 2 347.455 3.576 20 30 EHEDLO C=CC[C@@H]1CCCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890243447 1139328734 /nfs/dbraw/zinc/32/87/34/1139328734.db2.gz MEXQALGDMLVQAK-IEBWSBKVSA-N 1 2 338.455 3.622 20 30 EHEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3ccc(Cl)nc3c2)CC1 ZINC001165031604 721866159 /nfs/dbraw/zinc/86/61/59/721866159.db2.gz OXHHLXLTTVNFSW-UHFFFAOYSA-N 1 2 337.801 3.741 20 30 EHEDLO COc1ccccc1C[N@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000339294154 1014175889 /nfs/dbraw/zinc/17/58/89/1014175889.db2.gz VVGOPRYAIYIFME-UHFFFAOYSA-N 1 2 331.419 3.984 20 30 EHEDLO COc1ccccc1C[N@@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000339294154 1014175897 /nfs/dbraw/zinc/17/58/97/1014175897.db2.gz VVGOPRYAIYIFME-UHFFFAOYSA-N 1 2 331.419 3.984 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000343727102 1032087590 /nfs/dbraw/zinc/08/75/90/1032087590.db2.gz FMXPZMQCKZALKL-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000343727102 1032087601 /nfs/dbraw/zinc/08/76/01/1032087601.db2.gz FMXPZMQCKZALKL-SFHVURJKSA-N 1 2 338.382 3.806 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000520849073 1015030844 /nfs/dbraw/zinc/03/08/44/1015030844.db2.gz GBVBRMMDEQZSRI-HXUWFJFHSA-N 1 2 340.492 3.914 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248638007 1032118295 /nfs/dbraw/zinc/11/82/95/1032118295.db2.gz VVLNAHRBZIBCIE-VUCTXSBTSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248638007 1032118304 /nfs/dbraw/zinc/11/83/04/1032118304.db2.gz VVLNAHRBZIBCIE-VUCTXSBTSA-N 1 2 338.854 3.943 20 30 EHEDLO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167123801 1016189533 /nfs/dbraw/zinc/18/95/33/1016189533.db2.gz HSCHDKITIJXUNN-UHFFFAOYSA-N 1 2 347.397 3.797 20 30 EHEDLO CC1(C)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc21 ZINC000340234668 1016750008 /nfs/dbraw/zinc/75/00/08/1016750008.db2.gz BYFUKUQASYSKTA-UHFFFAOYSA-N 1 2 344.418 3.902 20 30 EHEDLO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)Cc2ccccc21 ZINC000340234668 1016750019 /nfs/dbraw/zinc/75/00/19/1016750019.db2.gz BYFUKUQASYSKTA-UHFFFAOYSA-N 1 2 344.418 3.902 20 30 EHEDLO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140915899 1016834005 /nfs/dbraw/zinc/83/40/05/1016834005.db2.gz UXWHMYDHBKLSMQ-NSHDSACASA-N 1 2 330.247 3.824 20 30 EHEDLO FC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140915899 1016834015 /nfs/dbraw/zinc/83/40/15/1016834015.db2.gz UXWHMYDHBKLSMQ-NSHDSACASA-N 1 2 330.247 3.824 20 30 EHEDLO C=CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)c(O)c(OCC)c2)no1 ZINC000904684771 1032179119 /nfs/dbraw/zinc/17/91/19/1032179119.db2.gz WIAJHQQCIWWRPB-LBPRGKRZSA-N 1 2 337.807 3.850 20 30 EHEDLO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602006989 1032591313 /nfs/dbraw/zinc/59/13/13/1032591313.db2.gz UHKJBXWSZZVWEJ-AWEZNQCLSA-N 1 2 339.414 3.515 20 30 EHEDLO CCCNc1ccc(C#N)cc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000602110476 1032654726 /nfs/dbraw/zinc/65/47/26/1032654726.db2.gz KTZRGTQBUJCPBW-SFHVURJKSA-N 1 2 339.443 3.803 20 30 EHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1cccc(Br)c1 ZINC000255067015 1017307574 /nfs/dbraw/zinc/30/75/74/1017307574.db2.gz FZZGODAMXSEVAC-FPLPWBNLSA-N 1 2 327.181 3.993 20 30 EHEDLO COc1cc(-c2noc(C[N@H+](C)Cc3ccc(C#N)cc3)n2)ccc1C ZINC000135048669 1019203950 /nfs/dbraw/zinc/20/39/50/1019203950.db2.gz GRHAFOPODYFWSL-UHFFFAOYSA-N 1 2 348.406 3.557 20 30 EHEDLO COc1cc(-c2noc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2)ccc1C ZINC000135048669 1019203966 /nfs/dbraw/zinc/20/39/66/1019203966.db2.gz GRHAFOPODYFWSL-UHFFFAOYSA-N 1 2 348.406 3.557 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccccc4F)no3)CCC2)cc1 ZINC000594032868 1032834164 /nfs/dbraw/zinc/83/41/64/1032834164.db2.gz BNFBLJKDLJBKER-UHFFFAOYSA-N 1 2 348.381 3.916 20 30 EHEDLO Cc1cccc(CC2(O)CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000280574109 1020477825 /nfs/dbraw/zinc/47/78/25/1020477825.db2.gz SEUUBDVITCIFTL-UHFFFAOYSA-N 1 2 338.426 3.575 20 30 EHEDLO Cc1noc(C)c1C[NH+](CCC(C)(C)C#N)Cc1c(C)noc1C ZINC000345739273 1020489541 /nfs/dbraw/zinc/48/95/41/1020489541.db2.gz PSXODBSREUNCJJ-UHFFFAOYSA-N 1 2 330.432 3.838 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000345760552 1020510858 /nfs/dbraw/zinc/51/08/58/1020510858.db2.gz RVBQLLNEYYQLQG-UHFFFAOYSA-N 1 2 332.382 3.863 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000345760552 1020510866 /nfs/dbraw/zinc/51/08/66/1020510866.db2.gz RVBQLLNEYYQLQG-UHFFFAOYSA-N 1 2 332.382 3.863 20 30 EHEDLO C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(Cl)cc1C#N ZINC000548156982 1020551278 /nfs/dbraw/zinc/55/12/78/1020551278.db2.gz HJSQXEFVNGSWIB-UHFFFAOYSA-N 1 2 328.799 3.615 20 30 EHEDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccc(Cl)cc1C#N ZINC000548156982 1020551286 /nfs/dbraw/zinc/55/12/86/1020551286.db2.gz HJSQXEFVNGSWIB-UHFFFAOYSA-N 1 2 328.799 3.615 20 30 EHEDLO O[C@H]([C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1)C(F)(F)F ZINC000449673514 1033016052 /nfs/dbraw/zinc/01/60/52/1033016052.db2.gz OZLRPNMPDPZABI-PRHODGIISA-N 1 2 345.258 3.590 20 30 EHEDLO O[C@H]([C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1)C(F)(F)F ZINC000449673514 1033016060 /nfs/dbraw/zinc/01/60/60/1033016060.db2.gz OZLRPNMPDPZABI-PRHODGIISA-N 1 2 345.258 3.590 20 30 EHEDLO CC#CC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000550140905 1022576632 /nfs/dbraw/zinc/57/66/32/1022576632.db2.gz MXYOQIGODSFEDD-INIZCTEOSA-N 1 2 339.266 3.612 20 30 EHEDLO CC#CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000550140905 1022576644 /nfs/dbraw/zinc/57/66/44/1022576644.db2.gz MXYOQIGODSFEDD-INIZCTEOSA-N 1 2 339.266 3.612 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(Cl)c1Cl ZINC000330868287 1022690585 /nfs/dbraw/zinc/69/05/85/1022690585.db2.gz YOFKIBQPUVHKSR-JBLDHEPKSA-N 1 2 326.227 3.602 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441440060 1022802535 /nfs/dbraw/zinc/80/25/35/1022802535.db2.gz VFVVHHMLTIHRNG-LAUBAEHRSA-N 1 2 344.499 3.720 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441440060 1022802548 /nfs/dbraw/zinc/80/25/48/1022802548.db2.gz VFVVHHMLTIHRNG-LAUBAEHRSA-N 1 2 344.499 3.720 20 30 EHEDLO Cc1[nH]c([C@H]2CCCN2c2cc(C(F)(F)F)cc(C#N)n2)[nH+]c1C ZINC000895198089 1023954345 /nfs/dbraw/zinc/95/43/45/1023954345.db2.gz YEOPDRZPWDWVSV-CYBMUJFWSA-N 1 2 335.333 3.654 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000063300788 1033174616 /nfs/dbraw/zinc/17/46/16/1033174616.db2.gz MPOXSJNIPPEWAV-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000063300788 1033174621 /nfs/dbraw/zinc/17/46/21/1033174621.db2.gz MPOXSJNIPPEWAV-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000514103632 1024135670 /nfs/dbraw/zinc/13/56/70/1024135670.db2.gz CXYOEWVXDBNNKU-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1 ZINC000514103632 1024135678 /nfs/dbraw/zinc/13/56/78/1024135678.db2.gz CXYOEWVXDBNNKU-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000329739037 1024166724 /nfs/dbraw/zinc/16/67/24/1024166724.db2.gz UROPWTSOZZGZRP-BMGDILEWSA-N 1 2 339.439 3.689 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000329743633 1024172761 /nfs/dbraw/zinc/17/27/61/1024172761.db2.gz XIZSEPUOYGKCDT-PBHICJAKSA-N 1 2 344.846 3.672 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c1F ZINC000434678657 1024272909 /nfs/dbraw/zinc/27/29/09/1024272909.db2.gz JAZHNTAERSMDNU-UHFFFAOYSA-N 1 2 340.373 3.931 20 30 EHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000330237855 1024365026 /nfs/dbraw/zinc/36/50/26/1024365026.db2.gz HTQYEVUGPNYLMU-CVEARBPZSA-N 1 2 341.455 3.841 20 30 EHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000330237855 1024365042 /nfs/dbraw/zinc/36/50/42/1024365042.db2.gz HTQYEVUGPNYLMU-CVEARBPZSA-N 1 2 341.455 3.841 20 30 EHEDLO O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330230222 1024365448 /nfs/dbraw/zinc/36/54/48/1024365448.db2.gz WKABICPDUUZYBC-ZIAGYGMSSA-N 1 2 340.418 3.719 20 30 EHEDLO CCc1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000346134057 1024462819 /nfs/dbraw/zinc/46/28/19/1024462819.db2.gz FEJUTJYGNFJJEH-UHFFFAOYSA-N 1 2 327.453 3.621 20 30 EHEDLO CC1(C)CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c2cccc(Cl)c21 ZINC000330315004 1024689965 /nfs/dbraw/zinc/68/99/65/1024689965.db2.gz YILFFVQITFFQOR-LBPRGKRZSA-N 1 2 344.846 3.563 20 30 EHEDLO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1F ZINC000346611697 1024953322 /nfs/dbraw/zinc/95/33/22/1024953322.db2.gz XALCNOWNRAUVMK-UHFFFAOYSA-N 1 2 325.387 3.546 20 30 EHEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1F ZINC000346611697 1024953337 /nfs/dbraw/zinc/95/33/37/1024953337.db2.gz XALCNOWNRAUVMK-UHFFFAOYSA-N 1 2 325.387 3.546 20 30 EHEDLO CC[C@H](CC#N)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428104860 1024983970 /nfs/dbraw/zinc/98/39/70/1024983970.db2.gz VPNIWIVXDRVCIU-MRXNPFEDSA-N 1 2 336.361 3.732 20 30 EHEDLO N#Cc1c(NCc2cccc(-n3cc[nH+]c3)c2)nc2cc(Cl)ccn12 ZINC000342409451 1025241579 /nfs/dbraw/zinc/24/15/79/1025241579.db2.gz DHNJVGUBJTVUKZ-UHFFFAOYSA-N 1 2 348.797 3.657 20 30 EHEDLO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]CCc2sccc2C)C1 ZINC000329263739 1025705520 /nfs/dbraw/zinc/70/55/20/1025705520.db2.gz FKDBRHRIZBRMLI-OAHLLOKOSA-N 1 2 346.500 3.609 20 30 EHEDLO Cc1cnc(C(C)(C)[NH2+]CC(=O)Nc2nc3c(s2)CCC3)s1 ZINC000329461145 1025883848 /nfs/dbraw/zinc/88/38/48/1025883848.db2.gz SGBDBDRJIBCNAZ-UHFFFAOYSA-N 1 2 336.486 3.510 20 30 EHEDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000185797226 1025904476 /nfs/dbraw/zinc/90/44/76/1025904476.db2.gz QFAKVISIECOJKE-QGZVFWFLSA-N 1 2 337.423 3.544 20 30 EHEDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000185797226 1025904489 /nfs/dbraw/zinc/90/44/89/1025904489.db2.gz QFAKVISIECOJKE-QGZVFWFLSA-N 1 2 337.423 3.544 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000451392837 1025915614 /nfs/dbraw/zinc/91/56/14/1025915614.db2.gz KBESOCFCRXMTCM-CQSZACIVSA-N 1 2 349.475 3.701 20 30 EHEDLO CC[C@@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC(=O)N1 ZINC000329546188 1025982724 /nfs/dbraw/zinc/98/27/24/1025982724.db2.gz IBDKGEOMVSGTGT-HZPDHXFCSA-N 1 2 344.459 3.674 20 30 EHEDLO O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000329554168 1025997339 /nfs/dbraw/zinc/99/73/39/1025997339.db2.gz PXFOWKYQEHMSDV-GOSISDBHSA-N 1 2 339.439 3.728 20 30 EHEDLO Cc1c(C#N)cccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000178571468 1026017211 /nfs/dbraw/zinc/01/72/11/1026017211.db2.gz FVFHMPUEUUICJZ-UHFFFAOYSA-N 1 2 349.369 3.513 20 30 EHEDLO C[N@H+](Cc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000516197380 1026109186 /nfs/dbraw/zinc/10/91/86/1026109186.db2.gz FYEFYAWZENLKOQ-QZTJIDSGSA-N 1 2 347.245 3.955 20 30 EHEDLO C[N@@H+](Cc1ccccc1C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000516197380 1026109193 /nfs/dbraw/zinc/10/91/93/1026109193.db2.gz FYEFYAWZENLKOQ-QZTJIDSGSA-N 1 2 347.245 3.955 20 30 EHEDLO C=CCCC1(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000452210125 1026576763 /nfs/dbraw/zinc/57/67/63/1026576763.db2.gz UQCMGKZMHZQAOW-UHFFFAOYSA-N 1 2 329.831 3.888 20 30 EHEDLO CC[N@H+](CCC#N)Cc1ccc(OC(F)F)c(Br)c1 ZINC000342685012 1026716458 /nfs/dbraw/zinc/71/64/58/1026716458.db2.gz VKVSWBIKCIIADK-UHFFFAOYSA-N 1 2 333.176 3.786 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(Br)c1 ZINC000342685012 1026716466 /nfs/dbraw/zinc/71/64/66/1026716466.db2.gz VKVSWBIKCIIADK-UHFFFAOYSA-N 1 2 333.176 3.786 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000501208017 1027135566 /nfs/dbraw/zinc/13/55/66/1027135566.db2.gz WRCAJNHSCBONCE-WOJBJXKFSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000501208017 1027135576 /nfs/dbraw/zinc/13/55/76/1027135576.db2.gz WRCAJNHSCBONCE-WOJBJXKFSA-N 1 2 331.419 3.839 20 30 EHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000459342937 1027750657 /nfs/dbraw/zinc/75/06/57/1027750657.db2.gz LINKDOZQCJXVSJ-UHFFFAOYSA-N 1 2 343.427 3.638 20 30 EHEDLO C[C@H]1CSCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347122957 1027858376 /nfs/dbraw/zinc/85/83/76/1027858376.db2.gz IGVCENBFUTZQNR-LLVKDONJSA-N 1 2 325.275 3.506 20 30 EHEDLO C[C@H]1CSCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347122957 1027858389 /nfs/dbraw/zinc/85/83/89/1027858389.db2.gz IGVCENBFUTZQNR-LLVKDONJSA-N 1 2 325.275 3.506 20 30 EHEDLO C=C(CC)C[N@@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502391663 1028169060 /nfs/dbraw/zinc/16/90/60/1028169060.db2.gz WJICFFJFMGNYEO-LJQANCHMSA-N 1 2 343.446 3.968 20 30 EHEDLO C=C(CC)C[N@H+]1CCOC[C@@H]1c1c(C)nn(-c2ccccc2F)c1C ZINC000502391663 1028169071 /nfs/dbraw/zinc/16/90/71/1028169071.db2.gz WJICFFJFMGNYEO-LJQANCHMSA-N 1 2 343.446 3.968 20 30 EHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000444801586 1028273448 /nfs/dbraw/zinc/27/34/48/1028273448.db2.gz LHXPKJVSGAVIDY-PKOBYXMFSA-N 1 2 345.874 3.675 20 30 EHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000444801586 1028273470 /nfs/dbraw/zinc/27/34/70/1028273470.db2.gz LHXPKJVSGAVIDY-PKOBYXMFSA-N 1 2 345.874 3.675 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000052040162 1028492472 /nfs/dbraw/zinc/49/24/72/1028492472.db2.gz GDORDZALYLSMEX-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532904405 1029020560 /nfs/dbraw/zinc/02/05/60/1029020560.db2.gz WPEAALZMCMHWBO-LJQANCHMSA-N 1 2 335.451 3.514 20 30 EHEDLO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532904405 1029020575 /nfs/dbraw/zinc/02/05/75/1029020575.db2.gz WPEAALZMCMHWBO-LJQANCHMSA-N 1 2 335.451 3.514 20 30 EHEDLO CN(C)c1cc(CSCCCOc2cccc(C#N)c2)cc[nH+]1 ZINC000127697255 1029190790 /nfs/dbraw/zinc/19/07/90/1029190790.db2.gz CEOTYWQDTAHGTP-UHFFFAOYSA-N 1 2 327.453 3.722 20 30 EHEDLO Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000272573979 1029517446 /nfs/dbraw/zinc/51/74/46/1029517446.db2.gz NIFNYFCJXHPRJO-UHFFFAOYSA-N 1 2 328.847 3.960 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(-n2cccn2)cc1 ZINC000162259644 1029531159 /nfs/dbraw/zinc/53/11/59/1029531159.db2.gz YWFMUHQHOSQJRE-UHFFFAOYSA-N 1 2 333.395 3.562 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000192122088 1029600549 /nfs/dbraw/zinc/60/05/49/1029600549.db2.gz QNKUCZHAVMOPIK-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1F ZINC000192122088 1029600554 /nfs/dbraw/zinc/60/05/54/1029600554.db2.gz QNKUCZHAVMOPIK-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000052276100 1029660286 /nfs/dbraw/zinc/66/02/86/1029660286.db2.gz IBCPPRQALBAAPS-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000052276100 1029660295 /nfs/dbraw/zinc/66/02/95/1029660295.db2.gz IBCPPRQALBAAPS-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO C=C(C)[C@H](Cc1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)OCC ZINC000273730504 1029827544 /nfs/dbraw/zinc/82/75/44/1029827544.db2.gz KQCNECBIDPUUKW-KRWDZBQOSA-N 1 2 338.411 3.505 20 30 EHEDLO CCOc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000441180522 1029880094 /nfs/dbraw/zinc/88/00/94/1029880094.db2.gz REURGRGAIOZILU-UHFFFAOYSA-N 1 2 348.406 3.639 20 30 EHEDLO CCOc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000441180522 1029880100 /nfs/dbraw/zinc/88/01/00/1029880100.db2.gz REURGRGAIOZILU-UHFFFAOYSA-N 1 2 348.406 3.639 20 30 EHEDLO C=CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000058165969 1029899599 /nfs/dbraw/zinc/89/95/99/1029899599.db2.gz NDZDXOVKMMAKDU-UHFFFAOYSA-N 1 2 334.876 3.795 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000532126100 1030420888 /nfs/dbraw/zinc/42/08/88/1030420888.db2.gz UKIAHNNJCODRAU-CQSZACIVSA-N 1 2 332.419 3.641 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000532126100 1030420895 /nfs/dbraw/zinc/42/08/95/1030420895.db2.gz UKIAHNNJCODRAU-CQSZACIVSA-N 1 2 332.419 3.641 20 30 EHEDLO CC(C)[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000171381668 1030532979 /nfs/dbraw/zinc/53/29/79/1030532979.db2.gz XCYICYZUCZPMLC-UHFFFAOYSA-N 1 2 336.361 3.728 20 30 EHEDLO CC(C)[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000171381668 1030532989 /nfs/dbraw/zinc/53/29/89/1030532989.db2.gz XCYICYZUCZPMLC-UHFFFAOYSA-N 1 2 336.361 3.728 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2cccc(OC)c2)n1)[C@@H](C)COC ZINC000661244560 1030854437 /nfs/dbraw/zinc/85/44/37/1030854437.db2.gz VCQORLXGHWHOJE-AWEZNQCLSA-N 1 2 332.469 3.842 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2cccc(OC)c2)n1)[C@@H](C)COC ZINC000661244560 1030854447 /nfs/dbraw/zinc/85/44/47/1030854447.db2.gz VCQORLXGHWHOJE-AWEZNQCLSA-N 1 2 332.469 3.842 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000157800897 1030867172 /nfs/dbraw/zinc/86/71/72/1030867172.db2.gz GJXVPGISSMDRJU-HNNXBMFYSA-N 1 2 337.261 3.762 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000157800897 1030867193 /nfs/dbraw/zinc/86/71/93/1030867193.db2.gz GJXVPGISSMDRJU-HNNXBMFYSA-N 1 2 337.261 3.762 20 30 EHEDLO N#Cc1cc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)ccc1F ZINC000483234221 1031046446 /nfs/dbraw/zinc/04/64/46/1031046446.db2.gz JQUYWRLOADRLIG-HNNXBMFYSA-N 1 2 339.197 3.827 20 30 EHEDLO C=CCC(C)(C)c1noc(Cn2c(C)[nH+]c3cc(F)c(F)cc32)n1 ZINC000551492787 1031378605 /nfs/dbraw/zinc/37/86/05/1031378605.db2.gz UBKSUQNLPJFDHV-UHFFFAOYSA-N 1 2 332.354 3.908 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000179427077 1031773279 /nfs/dbraw/zinc/77/32/79/1031773279.db2.gz YWQLRWPAAIONOJ-QRWLVFNGSA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000179427077 1031773292 /nfs/dbraw/zinc/77/32/92/1031773292.db2.gz YWQLRWPAAIONOJ-QRWLVFNGSA-N 1 2 340.398 3.690 20 30 EHEDLO N#CCCCOc1cccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000117620080 1031780491 /nfs/dbraw/zinc/78/04/91/1031780491.db2.gz INIIYRZMRIOWRO-UHFFFAOYSA-N 1 2 346.390 3.807 20 30 EHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117634196 1031784691 /nfs/dbraw/zinc/78/46/91/1031784691.db2.gz STUVUQGFVWLZBQ-UHFFFAOYSA-N 1 2 342.402 3.572 20 30 EHEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248616596 1032056527 /nfs/dbraw/zinc/05/65/27/1032056527.db2.gz JAMMDKMXNVPUGW-WMZOPIPTSA-N 1 2 336.838 3.534 20 30 EHEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248616596 1032056540 /nfs/dbraw/zinc/05/65/40/1032056540.db2.gz JAMMDKMXNVPUGW-WMZOPIPTSA-N 1 2 336.838 3.534 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2coc(-c3ccccc3)n2)ccc1F ZINC000063457725 1033358810 /nfs/dbraw/zinc/35/88/10/1033358810.db2.gz VPJJPUXHULYDEB-UHFFFAOYSA-N 1 2 325.343 3.626 20 30 EHEDLO N#CC1(Cc2cn(Cc3ccc(-n4cc[nH+]c4)cc3)nn2)CCCCC1 ZINC000603185533 1033425880 /nfs/dbraw/zinc/42/58/80/1033425880.db2.gz HXLJGZSNCZJVAD-UHFFFAOYSA-N 1 2 346.438 3.529 20 30 EHEDLO Cc1nn(-c2ccccc2Cl)cc1C[N@H+](CCC#N)CC1CC1 ZINC000594602706 1033448877 /nfs/dbraw/zinc/44/88/77/1033448877.db2.gz NFFOKIBGJOGKSW-UHFFFAOYSA-N 1 2 328.847 3.960 20 30 EHEDLO Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000594602706 1033448890 /nfs/dbraw/zinc/44/88/90/1033448890.db2.gz NFFOKIBGJOGKSW-UHFFFAOYSA-N 1 2 328.847 3.960 20 30 EHEDLO CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)c1cc(Cl)ccc1C#N ZINC000598812114 1033480680 /nfs/dbraw/zinc/48/06/80/1033480680.db2.gz VQTCEITWEHFZNG-ZDUSSCGKSA-N 1 2 330.819 3.802 20 30 EHEDLO Cc1nc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)sc1C ZINC000533148033 1033723949 /nfs/dbraw/zinc/72/39/49/1033723949.db2.gz LMWJIZMARDQGBO-UHFFFAOYSA-N 1 2 345.899 3.587 20 30 EHEDLO C=CCC1(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCCC1 ZINC000450142045 1033806227 /nfs/dbraw/zinc/80/62/27/1033806227.db2.gz KPBLTIXFNYRRQI-KRWDZBQOSA-N 1 2 329.488 3.728 20 30 EHEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCCCC(C)(C)C#N ZINC000595678958 1033930426 /nfs/dbraw/zinc/93/04/26/1033930426.db2.gz VBMNVKPSVJTHGC-QGZVFWFLSA-N 1 2 332.444 3.561 20 30 EHEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000595678958 1033930436 /nfs/dbraw/zinc/93/04/36/1033930436.db2.gz VBMNVKPSVJTHGC-QGZVFWFLSA-N 1 2 332.444 3.561 20 30 EHEDLO Cc1ccccc1-c1noc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595641440 1033933380 /nfs/dbraw/zinc/93/33/80/1033933380.db2.gz MKKVNWFRNPCTQN-UHFFFAOYSA-N 1 2 332.407 3.942 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599698788 1034102285 /nfs/dbraw/zinc/10/22/85/1034102285.db2.gz LHTYGPSCNFYVSP-UHFFFAOYSA-N 1 2 347.390 3.505 20 30 EHEDLO N#CCC1CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529540707 1034146296 /nfs/dbraw/zinc/14/62/96/1034146296.db2.gz GZNWAZNUCDNUFK-UHFFFAOYSA-N 1 2 328.641 3.623 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450400609 1034267854 /nfs/dbraw/zinc/26/78/54/1034267854.db2.gz GSLBQLSRQRFXSS-CVEARBPZSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450400609 1034267870 /nfs/dbraw/zinc/26/78/70/1034267870.db2.gz GSLBQLSRQRFXSS-CVEARBPZSA-N 1 2 338.854 3.943 20 30 EHEDLO N#CC1(Cc2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCCCC1 ZINC000596588504 1034305734 /nfs/dbraw/zinc/30/57/34/1034305734.db2.gz UWXBNRPXRHMKBQ-UHFFFAOYSA-N 1 2 347.422 3.998 20 30 EHEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000450448296 1034349762 /nfs/dbraw/zinc/34/97/62/1034349762.db2.gz ACTUTPLUFMPLBS-UXHICEINSA-N 1 2 349.434 3.530 20 30 EHEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000450448296 1034349774 /nfs/dbraw/zinc/34/97/74/1034349774.db2.gz ACTUTPLUFMPLBS-UXHICEINSA-N 1 2 349.434 3.530 20 30 EHEDLO C[C@@H](CC#N)N(C)Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000450485530 1034413838 /nfs/dbraw/zinc/41/38/38/1034413838.db2.gz PNYHOTRYOQIGOW-GJZGRUSLSA-N 1 2 332.879 3.808 20 30 EHEDLO C[C@@H](CC#N)N(C)Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000450485530 1034413848 /nfs/dbraw/zinc/41/38/48/1034413848.db2.gz PNYHOTRYOQIGOW-GJZGRUSLSA-N 1 2 332.879 3.808 20 30 EHEDLO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H](c4cccc(F)c4)C3)cc2)CC1 ZINC000596997772 1034500056 /nfs/dbraw/zinc/50/00/56/1034500056.db2.gz HXVGGROFUGFDNQ-HXUWFJFHSA-N 1 2 336.410 3.954 20 30 EHEDLO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](c4cccc(F)c4)C3)cc2)CC1 ZINC000596997772 1034500065 /nfs/dbraw/zinc/50/00/65/1034500065.db2.gz HXVGGROFUGFDNQ-HXUWFJFHSA-N 1 2 336.410 3.954 20 30 EHEDLO N#Cc1nnc2ccccc2c1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000450533222 1034507662 /nfs/dbraw/zinc/50/76/62/1034507662.db2.gz ALBWKJYZHHHDGK-SHTZXODSSA-N 1 2 344.422 3.732 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cc(C#N)cs1 ZINC000179610291 1034512399 /nfs/dbraw/zinc/51/23/99/1034512399.db2.gz CVRPGTLYIMFZKI-UHFFFAOYSA-N 1 2 327.453 3.779 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(C#N)cs1 ZINC000179610291 1034512413 /nfs/dbraw/zinc/51/24/13/1034512413.db2.gz CVRPGTLYIMFZKI-UHFFFAOYSA-N 1 2 327.453 3.779 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCc4sccc4C3)o2)c1 ZINC000075718563 1034718001 /nfs/dbraw/zinc/71/80/01/1034718001.db2.gz NWJUOTMMTMWGHF-UHFFFAOYSA-N 1 2 336.420 3.618 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCc4sccc4C3)o2)c1 ZINC000075718563 1034718015 /nfs/dbraw/zinc/71/80/15/1034718015.db2.gz NWJUOTMMTMWGHF-UHFFFAOYSA-N 1 2 336.420 3.618 20 30 EHEDLO CC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc(C#N)c1O ZINC000924550013 1035073990 /nfs/dbraw/zinc/07/39/90/1035073990.db2.gz PCKYEQCZVCSLEZ-JKSUJKDBSA-N 1 2 329.469 3.669 20 30 EHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000340912466 1035366103 /nfs/dbraw/zinc/36/61/03/1035366103.db2.gz RPMKXNZLFDDMML-ZAMGYDSWSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000340912466 1035366105 /nfs/dbraw/zinc/36/61/05/1035366105.db2.gz RPMKXNZLFDDMML-ZAMGYDSWSA-N 1 2 330.428 3.628 20 30 EHEDLO COC(=O)c1ccccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000541350100 1036226957 /nfs/dbraw/zinc/22/69/57/1036226957.db2.gz ULYSKQQAFXFREW-UXHICEINSA-N 1 2 334.419 3.745 20 30 EHEDLO COC(=O)c1ccccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000541350100 1036226968 /nfs/dbraw/zinc/22/69/68/1036226968.db2.gz ULYSKQQAFXFREW-UXHICEINSA-N 1 2 334.419 3.745 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(Br)c1 ZINC000589157682 1036283966 /nfs/dbraw/zinc/28/39/66/1036283966.db2.gz ZNFBTMBCPFMRQL-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Br)c1 ZINC000589157682 1036283975 /nfs/dbraw/zinc/28/39/75/1036283975.db2.gz ZNFBTMBCPFMRQL-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000122181309 1036613978 /nfs/dbraw/zinc/61/39/78/1036613978.db2.gz JCNRXKAHRRCVIK-ZDUSSCGKSA-N 1 2 342.468 3.517 20 30 EHEDLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000122181309 1036613988 /nfs/dbraw/zinc/61/39/88/1036613988.db2.gz JCNRXKAHRRCVIK-ZDUSSCGKSA-N 1 2 342.468 3.517 20 30 EHEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(CC#N)CC1 ZINC000541951979 1036885913 /nfs/dbraw/zinc/88/59/13/1036885913.db2.gz LXFCVQHRYPCDSC-NSHDSACASA-N 1 2 340.254 3.946 20 30 EHEDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539609021 1036971510 /nfs/dbraw/zinc/97/15/10/1036971510.db2.gz AXENKUQLLBWHNB-KUHUBIRLSA-N 1 2 334.398 3.871 20 30 EHEDLO N#Cc1csc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)n1 ZINC000352821552 1037414311 /nfs/dbraw/zinc/41/43/11/1037414311.db2.gz HJANJDGNBKACCY-UHFFFAOYSA-N 1 2 335.432 3.884 20 30 EHEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000573860903 1037786853 /nfs/dbraw/zinc/78/68/53/1037786853.db2.gz PUELZJKDVWCQFB-QFBILLFUSA-N 1 2 335.451 3.886 20 30 EHEDLO N#C[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1 ZINC000181111355 1038341275 /nfs/dbraw/zinc/34/12/75/1038341275.db2.gz NLVFSQQFMZSOII-MRXNPFEDSA-N 1 2 349.365 3.551 20 30 EHEDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)n2c1 ZINC000538728616 1038495680 /nfs/dbraw/zinc/49/56/80/1038495680.db2.gz LRYDRKKVVCRAGO-UXHICEINSA-N 1 2 330.435 3.915 20 30 EHEDLO Cc1ccc2ncc(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)n2c1 ZINC000538728616 1038495684 /nfs/dbraw/zinc/49/56/84/1038495684.db2.gz LRYDRKKVVCRAGO-UXHICEINSA-N 1 2 330.435 3.915 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488303402 1039069280 /nfs/dbraw/zinc/06/92/80/1039069280.db2.gz UPLUAQODSCQUAW-OAQYLSRUSA-N 1 2 348.425 3.689 20 30 EHEDLO COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000417356096 1039716503 /nfs/dbraw/zinc/71/65/03/1039716503.db2.gz BLDZHVWABCKVPD-NHYWBVRUSA-N 1 2 341.436 3.530 20 30 EHEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411118043 1040473191 /nfs/dbraw/zinc/47/31/91/1040473191.db2.gz DCIYJDYZQYGCOK-INIZCTEOSA-N 1 2 348.512 3.947 20 30 EHEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411118043 1040473200 /nfs/dbraw/zinc/47/32/00/1040473200.db2.gz DCIYJDYZQYGCOK-INIZCTEOSA-N 1 2 348.512 3.947 20 30 EHEDLO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cc1C#N ZINC000555431817 1040581337 /nfs/dbraw/zinc/58/13/37/1040581337.db2.gz OGMWPQCLIFIELQ-IBGZPJMESA-N 1 2 333.439 3.511 20 30 EHEDLO Cn1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)cc1C#N ZINC000555431817 1040581344 /nfs/dbraw/zinc/58/13/44/1040581344.db2.gz OGMWPQCLIFIELQ-IBGZPJMESA-N 1 2 333.439 3.511 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000614247834 1040827517 /nfs/dbraw/zinc/82/75/17/1040827517.db2.gz HBHAGVJJZCRLOI-FQEVSTJZSA-N 1 2 338.407 3.859 20 30 EHEDLO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)o1 ZINC000614247834 1040827532 /nfs/dbraw/zinc/82/75/32/1040827532.db2.gz HBHAGVJJZCRLOI-FQEVSTJZSA-N 1 2 338.407 3.859 20 30 EHEDLO C=CCn1c(=S)n(C[NH+]2CCCCCCC2)nc1-c1cccnc1 ZINC000125634321 1042476075 /nfs/dbraw/zinc/47/60/75/1042476075.db2.gz QLGQVJQUKSIGJF-UHFFFAOYSA-N 1 2 343.500 3.886 20 30 EHEDLO C=CCOc1ccc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)cc1 ZINC000344757653 1044397995 /nfs/dbraw/zinc/39/79/95/1044397995.db2.gz OZFLKPDKOOKYKO-INIZCTEOSA-N 1 2 343.496 3.587 20 30 EHEDLO N#CC1(c2ccc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)cc2)CC1 ZINC000180204137 1127132679 /nfs/dbraw/zinc/13/26/79/1127132679.db2.gz PEHVGSLJCQLTMC-UHFFFAOYSA-N 1 2 328.375 3.884 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000765056167 1127568116 /nfs/dbraw/zinc/56/81/16/1127568116.db2.gz MHLVLMSCTMEPFB-CABCVRRESA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2CC)c1=S ZINC000765056167 1127568118 /nfs/dbraw/zinc/56/81/18/1127568118.db2.gz MHLVLMSCTMEPFB-CABCVRRESA-N 1 2 343.500 3.740 20 30 EHEDLO CCCCCCN(O)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001649057150 1128058090 /nfs/dbraw/zinc/05/80/90/1128058090.db2.gz QDNDARBMFFYLCR-SFHVURJKSA-N 1 2 336.451 3.978 20 30 EHEDLO CCCCCCN(O)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001649057150 1128058094 /nfs/dbraw/zinc/05/80/94/1128058094.db2.gz QDNDARBMFFYLCR-SFHVURJKSA-N 1 2 336.451 3.978 20 30 EHEDLO C=CCCC[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000921647094 1128420283 /nfs/dbraw/zinc/42/02/83/1128420283.db2.gz YYQGFLGGTYQZOR-LJQANCHMSA-N 1 2 337.467 3.976 20 30 EHEDLO N#Cc1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C(F)(F)F ZINC000301639211 1128600372 /nfs/dbraw/zinc/60/03/72/1128600372.db2.gz MNVIWJSITNUCRI-HNNXBMFYSA-N 1 2 333.313 3.630 20 30 EHEDLO N#Cc1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000302112488 1128620624 /nfs/dbraw/zinc/62/06/24/1128620624.db2.gz BEAFGAWWLSDADV-UHFFFAOYSA-N 1 2 328.419 3.560 20 30 EHEDLO Cc1cc(Nc2nnc(C)c(C)c2C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000542797795 1128636568 /nfs/dbraw/zinc/63/65/68/1128636568.db2.gz FXRYCPMYKJRTQS-ZDUSSCGKSA-N 1 2 336.443 3.791 20 30 EHEDLO C=C(C)C[C@@H](C)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000184868433 1120390837 /nfs/dbraw/zinc/39/08/37/1120390837.db2.gz AMPBERSJMZOPAG-OAHLLOKOSA-N 1 2 327.428 3.639 20 30 EHEDLO C=CC[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000187531560 1120502029 /nfs/dbraw/zinc/50/20/29/1120502029.db2.gz VMXHXMCXWIRMAM-NRFANRHFSA-N 1 2 345.446 3.908 20 30 EHEDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCOc1ccccc1C#N)CC3 ZINC000609195841 1120549035 /nfs/dbraw/zinc/54/90/35/1120549035.db2.gz GHHWNHOWXOCVKS-UHFFFAOYSA-N 1 2 331.419 3.785 20 30 EHEDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCOc1ccccc1C#N)CC3 ZINC000609195841 1120549039 /nfs/dbraw/zinc/54/90/39/1120549039.db2.gz GHHWNHOWXOCVKS-UHFFFAOYSA-N 1 2 331.419 3.785 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761756047 1120881896 /nfs/dbraw/zinc/88/18/96/1120881896.db2.gz BXXBQADQIPCOPR-LSTHTHJFSA-N 1 2 328.456 3.527 20 30 EHEDLO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761756047 1120881899 /nfs/dbraw/zinc/88/18/99/1120881899.db2.gz BXXBQADQIPCOPR-LSTHTHJFSA-N 1 2 328.456 3.527 20 30 EHEDLO C#CCOc1ccccc1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000761996457 1121043123 /nfs/dbraw/zinc/04/31/23/1121043123.db2.gz XGJGIINPNTXHQP-UHFFFAOYSA-N 1 2 342.358 3.601 20 30 EHEDLO CC(=O)c1ccc(C#N)c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000272613706 1121796732 /nfs/dbraw/zinc/79/67/32/1121796732.db2.gz ZSMYKHIIEXIGDQ-UHFFFAOYSA-N 1 2 334.423 3.758 20 30 EHEDLO CC[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000917103824 1122501239 /nfs/dbraw/zinc/50/12/39/1122501239.db2.gz RGDAUGBWUCKLTQ-UONOGXRCSA-N 1 2 327.453 3.595 20 30 EHEDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(C#N)cc1 ZINC000556078241 1122803395 /nfs/dbraw/zinc/80/33/95/1122803395.db2.gz HBECAFIUXHVSQP-KRWDZBQOSA-N 1 2 335.386 3.723 20 30 EHEDLO CC[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(C#N)cc1 ZINC000556078241 1122803402 /nfs/dbraw/zinc/80/34/02/1122803402.db2.gz HBECAFIUXHVSQP-KRWDZBQOSA-N 1 2 335.386 3.723 20 30 EHEDLO C=C(Cl)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000763430960 1122879338 /nfs/dbraw/zinc/87/93/38/1122879338.db2.gz GYNBIVZEENZXBQ-UHFFFAOYSA-N 1 2 326.625 3.681 20 30 EHEDLO C#Cc1ccc(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)cn1 ZINC001128333623 1129098233 /nfs/dbraw/zinc/09/82/33/1129098233.db2.gz VDAKCXXJVJXJGL-UHFFFAOYSA-N 1 2 342.402 3.515 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000499048910 1123166154 /nfs/dbraw/zinc/16/61/54/1123166154.db2.gz VCFYMBOBHWGLES-OAHLLOKOSA-N 1 2 326.465 3.714 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000499048910 1123166156 /nfs/dbraw/zinc/16/61/56/1123166156.db2.gz VCFYMBOBHWGLES-OAHLLOKOSA-N 1 2 326.465 3.714 20 30 EHEDLO Oc1ccc(Cl)cc1/C=N\Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920386551 1123363292 /nfs/dbraw/zinc/36/32/92/1123363292.db2.gz CGBWETNANPLZQX-FBHDLOMBSA-N 1 2 329.762 3.990 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000237706000 1123816007 /nfs/dbraw/zinc/81/60/07/1123816007.db2.gz OARDIKMQCDDJKT-QWHCGFSZSA-N 1 2 328.416 3.509 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000616135327 1123949078 /nfs/dbraw/zinc/94/90/78/1123949078.db2.gz MYEVQWOUPFOPHW-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000616135327 1123949083 /nfs/dbraw/zinc/94/90/83/1123949083.db2.gz MYEVQWOUPFOPHW-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619067469 1125271680 /nfs/dbraw/zinc/27/16/80/1125271680.db2.gz QPNCQFBMEBPMGG-NRFANRHFSA-N 1 2 330.435 3.550 20 30 EHEDLO C[C@@H](c1ccncc1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000619295481 1125329187 /nfs/dbraw/zinc/32/91/87/1125329187.db2.gz SJHPEHVMXIQCIG-HNAYVOBHSA-N 1 2 340.858 3.678 20 30 EHEDLO C=CCCCCCCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922472831 1129544586 /nfs/dbraw/zinc/54/45/86/1129544586.db2.gz NKXDUKNZMQXTEG-UHFFFAOYSA-N 1 2 330.476 3.804 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922526665 1129562718 /nfs/dbraw/zinc/56/27/18/1129562718.db2.gz SYAPYFSLZCXCGS-XVGQJIODSA-N 1 2 326.371 3.539 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1Cl ZINC000922580225 1129580250 /nfs/dbraw/zinc/58/02/50/1129580250.db2.gz OIJVUOYOVRLCJX-KRWDZBQOSA-N 1 2 329.831 3.936 20 30 EHEDLO CCc1cc2c(C[N@H+](CCC#N)CC(C)(C)C)cc(=O)oc2cc1O ZINC000731848564 1130850539 /nfs/dbraw/zinc/85/05/39/1130850539.db2.gz VDIYEGIHAMRKHR-UHFFFAOYSA-N 1 2 342.439 3.823 20 30 EHEDLO CCc1cc2c(C[N@@H+](CCC#N)CC(C)(C)C)cc(=O)oc2cc1O ZINC000731848564 1130850546 /nfs/dbraw/zinc/85/05/46/1130850546.db2.gz VDIYEGIHAMRKHR-UHFFFAOYSA-N 1 2 342.439 3.823 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000740846386 1131547969 /nfs/dbraw/zinc/54/79/69/1131547969.db2.gz GVZVMLCNYLGEPZ-IBGZPJMESA-N 1 2 342.508 3.899 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000740846386 1131547971 /nfs/dbraw/zinc/54/79/71/1131547971.db2.gz GVZVMLCNYLGEPZ-IBGZPJMESA-N 1 2 342.508 3.899 20 30 EHEDLO N#Cc1cccc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000741354743 1131598920 /nfs/dbraw/zinc/59/89/20/1131598920.db2.gz UTJVOHKZVSXREA-HXUWFJFHSA-N 1 2 334.419 3.656 20 30 EHEDLO N#Cc1cccc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000741354743 1131598924 /nfs/dbraw/zinc/59/89/24/1131598924.db2.gz UTJVOHKZVSXREA-HXUWFJFHSA-N 1 2 334.419 3.656 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000743359181 1131901248 /nfs/dbraw/zinc/90/12/48/1131901248.db2.gz UGPRMPCCNCBSFR-GHTZIAJQSA-N 1 2 334.463 3.894 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000743359181 1131901253 /nfs/dbraw/zinc/90/12/53/1131901253.db2.gz UGPRMPCCNCBSFR-GHTZIAJQSA-N 1 2 334.463 3.894 20 30 EHEDLO CC(C)(O)C#Cc1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001212699032 1131938196 /nfs/dbraw/zinc/93/81/96/1131938196.db2.gz KBCISVUFLYELQI-UHFFFAOYSA-N 1 2 331.419 3.797 20 30 EHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(OCCC)CC1 ZINC001173091831 1131950685 /nfs/dbraw/zinc/95/06/85/1131950685.db2.gz CLXLGHJBSMXGJJ-MHJFOBGBSA-N 1 2 345.483 3.654 20 30 EHEDLO O=C1C=C2C[N@H+](C3CCC(Oc4ccccc4)CC3)CC[C@@H]2S1 ZINC001173202819 1131998825 /nfs/dbraw/zinc/99/88/25/1131998825.db2.gz XZFZCKMSSNHICX-VJFUWPCTSA-N 1 2 329.465 3.651 20 30 EHEDLO O=C1C=C2C[N@@H+](C3CCC(Oc4ccccc4)CC3)CC[C@@H]2S1 ZINC001173202819 1131998830 /nfs/dbraw/zinc/99/88/30/1131998830.db2.gz XZFZCKMSSNHICX-VJFUWPCTSA-N 1 2 329.465 3.651 20 30 EHEDLO C#Cc1cc(Nc2cc(OC)ccc2OCc2ccccc2)cc[nH+]1 ZINC001175293940 1132616528 /nfs/dbraw/zinc/61/65/28/1132616528.db2.gz UCRVVCUILSSXEO-UHFFFAOYSA-N 1 2 330.387 3.816 20 30 EHEDLO CC(C)(O)C#Cc1cccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c1 ZINC001175713718 1132740095 /nfs/dbraw/zinc/74/00/95/1132740095.db2.gz CCDCBABFMNSQEO-UHFFFAOYSA-N 1 2 335.329 3.549 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)Oc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000767156268 1132961108 /nfs/dbraw/zinc/96/11/08/1132961108.db2.gz GENLJANKDMSHHB-IBGZPJMESA-N 1 2 338.407 3.555 20 30 EHEDLO N#Cc1oc2ccccc2c1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176956346 1133015281 /nfs/dbraw/zinc/01/52/81/1133015281.db2.gz BPPNAJKPCQRBGG-AWEZNQCLSA-N 1 2 346.390 3.555 20 30 EHEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1ccccc1N(C)C ZINC000769586765 1133317107 /nfs/dbraw/zinc/31/71/07/1133317107.db2.gz SJLFNHOAZNDFSX-UHFFFAOYSA-N 1 2 333.233 3.746 20 30 EHEDLO C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183019409 1133761154 /nfs/dbraw/zinc/76/11/54/1133761154.db2.gz ZAVDAYPKZIEHKE-YWZLYKJASA-N 1 2 334.423 3.524 20 30 EHEDLO CCCC#CC(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001184277060 1133921849 /nfs/dbraw/zinc/92/18/49/1133921849.db2.gz YMFQSULCQLWRTL-HNNXBMFYSA-N 1 2 327.255 3.516 20 30 EHEDLO COc1cc(C=NNc2[nH+]ccn2C)c(-c2ccccc2)cc1OC ZINC000790302773 1134398825 /nfs/dbraw/zinc/39/88/25/1134398825.db2.gz YJKJVLQKXPOFBX-UHFFFAOYSA-N 1 2 336.395 3.550 20 30 EHEDLO CCCOc1c(Cl)cc(C=NNc2[nH+]ccn2C)cc1OCC ZINC000790302318 1134399069 /nfs/dbraw/zinc/39/90/69/1134399069.db2.gz PHBOXNWYOJAUGG-UHFFFAOYSA-N 1 2 336.823 3.707 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000792643982 1134757997 /nfs/dbraw/zinc/75/79/97/1134757997.db2.gz VYYDQGAIERSRHT-UHFFFAOYSA-N 1 2 328.347 3.538 20 30 EHEDLO CCCCCCCNC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001191106991 1134793936 /nfs/dbraw/zinc/79/39/36/1134793936.db2.gz ZNBXXPNCHGNKAV-UHFFFAOYSA-N 1 2 346.519 3.526 20 30 EHEDLO Cc1cc(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)ccc1F ZINC001192348369 1135003260 /nfs/dbraw/zinc/00/32/60/1135003260.db2.gz ABZGNXXLIYRJSR-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO Cc1cc(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)ccc1F ZINC001192348369 1135003265 /nfs/dbraw/zinc/00/32/65/1135003265.db2.gz ABZGNXXLIYRJSR-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO CCCCCCCOC(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001194015979 1135215188 /nfs/dbraw/zinc/21/51/88/1135215188.db2.gz RETFWKADFVOGRX-UHFFFAOYSA-N 1 2 333.476 3.995 20 30 EHEDLO C=CCCCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000805219034 1135250110 /nfs/dbraw/zinc/25/01/10/1135250110.db2.gz SQGZXXZHCLCCKF-UHFFFAOYSA-N 1 2 342.399 3.647 20 30 EHEDLO C=CCCCCCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000806003909 1135370595 /nfs/dbraw/zinc/37/05/95/1135370595.db2.gz MJVDPABQXVTHCN-UHFFFAOYSA-N 1 2 335.517 3.712 20 30 EHEDLO Cc1nn(C)c2sc(C(=O)/C=C/c3c[nH+]c4ccc(C)cn34)cc12 ZINC000806579097 1135455380 /nfs/dbraw/zinc/45/53/80/1135455380.db2.gz VMPVJFLAKPSHAQ-AATRIKPKSA-N 1 2 336.420 3.795 20 30 EHEDLO C[C@@H]1CCCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000775732916 1135592041 /nfs/dbraw/zinc/59/20/41/1135592041.db2.gz XQBQUNWMWPVLRB-ZIAGYGMSSA-N 1 2 327.453 3.595 20 30 EHEDLO C[C@@H]1CCCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000775732916 1135592044 /nfs/dbraw/zinc/59/20/44/1135592044.db2.gz XQBQUNWMWPVLRB-ZIAGYGMSSA-N 1 2 327.453 3.595 20 30 EHEDLO COC(=O)[C@]1([NH2+]CC2CCC(C#N)CC2)CC[C@H](C)c2ccccc21 ZINC001198731690 1135849523 /nfs/dbraw/zinc/84/95/23/1135849523.db2.gz LSIMYLCEELXURL-IPBYYYPYSA-N 1 2 340.467 3.872 20 30 EHEDLO C[C@@H](COc1ccccc1)N[NH+]=Cc1ccc(N2CCCCC2)o1 ZINC000811665040 1136118870 /nfs/dbraw/zinc/11/88/70/1136118870.db2.gz KUMMSAGXQXRBNL-INIZCTEOSA-N 1 2 327.428 3.661 20 30 EHEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000850391096 1136247553 /nfs/dbraw/zinc/24/75/53/1136247553.db2.gz DRPSWRSMKUIRJB-UHFFFAOYSA-N 1 2 343.862 3.793 20 30 EHEDLO Cc1cccc(CCCOCCOC(=O)CC2(C#N)CCCCC2)[nH+]1 ZINC000850840013 1136310662 /nfs/dbraw/zinc/31/06/62/1136310662.db2.gz GCMMIGWNIVYAGF-UHFFFAOYSA-N 1 2 344.455 3.747 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852686704 1136477948 /nfs/dbraw/zinc/47/79/48/1136477948.db2.gz ZVMJBQVGYPKIQW-ZNMIVQPWSA-N 1 2 337.448 3.656 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852686704 1136477950 /nfs/dbraw/zinc/47/79/50/1136477950.db2.gz ZVMJBQVGYPKIQW-ZNMIVQPWSA-N 1 2 337.448 3.656 20 30 EHEDLO Fc1cc2[nH]c([N-][NH+]=C3CC[C@@H]4CNc5cccc3c54)[nH+]c2cc1F ZINC000814796320 1136505930 /nfs/dbraw/zinc/50/59/30/1136505930.db2.gz TYRXTLCYPMWPPL-SECBINFHSA-N 1 2 339.349 3.960 20 30 EHEDLO CCC(=[NH+]Nc1ccc2c(cc[nH]c2=O)c1)c1ccc(Cl)c(N)c1 ZINC000814924527 1136525007 /nfs/dbraw/zinc/52/50/07/1136525007.db2.gz QGSSNXHCZZKBAZ-UHFFFAOYSA-N 1 2 340.814 3.990 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)c(CC)cc2=O)C1 ZINC000853537317 1136542044 /nfs/dbraw/zinc/54/20/44/1136542044.db2.gz UWGMRQQVHQCUFQ-QGZVFWFLSA-N 1 2 337.467 3.718 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccccc3)c(CC)cc2=O)C1 ZINC000853537317 1136542047 /nfs/dbraw/zinc/54/20/47/1136542047.db2.gz UWGMRQQVHQCUFQ-QGZVFWFLSA-N 1 2 337.467 3.718 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000853537367 1136542167 /nfs/dbraw/zinc/54/21/67/1136542167.db2.gz WGFKVEDQXNFMGQ-OAHLLOKOSA-N 1 2 348.541 3.964 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2ncn(CCc3cccs3)c2=S)C1 ZINC000853537367 1136542168 /nfs/dbraw/zinc/54/21/68/1136542168.db2.gz WGFKVEDQXNFMGQ-OAHLLOKOSA-N 1 2 348.541 3.964 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(NC(=O)OC)c1 ZINC000853617710 1136549697 /nfs/dbraw/zinc/54/96/97/1136549697.db2.gz KUVPXDUEMLBMHC-UHFFFAOYSA-N 1 2 339.395 3.664 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccnc(C(F)(F)F)c1 ZINC000853655578 1136553309 /nfs/dbraw/zinc/55/33/09/1136553309.db2.gz LGVNAOSQQLBAKH-UHFFFAOYSA-N 1 2 335.329 3.900 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@@H](C)C2)c(C#N)c1C ZINC000857200394 1136852529 /nfs/dbraw/zinc/85/25/29/1136852529.db2.gz ILNJJWORLULSDG-JSGCOSHPSA-N 1 2 337.423 3.714 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@@H](C)C2)c(C#N)c1C ZINC000857200394 1136852531 /nfs/dbraw/zinc/85/25/31/1136852531.db2.gz ILNJJWORLULSDG-JSGCOSHPSA-N 1 2 337.423 3.714 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000115513796 1136903364 /nfs/dbraw/zinc/90/33/64/1136903364.db2.gz IHJJOCGPFKEWCO-UHFFFAOYSA-N 1 2 346.475 3.917 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1=S ZINC000115513796 1136903366 /nfs/dbraw/zinc/90/33/66/1136903366.db2.gz IHJJOCGPFKEWCO-UHFFFAOYSA-N 1 2 346.475 3.917 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)N(C)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000819948891 1136968992 /nfs/dbraw/zinc/96/89/92/1136968992.db2.gz BXDUJAOGTMDZCL-ZDUSSCGKSA-N 1 2 334.427 3.650 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(-n2cccn2)cc1 ZINC000820624057 1136998693 /nfs/dbraw/zinc/99/86/93/1136998693.db2.gz KQXYPNMZLSJVJA-UHFFFAOYSA-N 1 2 332.407 3.672 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCCc1ccc(OC)c(OC)c1 ZINC000820598301 1136999446 /nfs/dbraw/zinc/99/94/46/1136999446.db2.gz BQCHKXYHOSGTOS-UHFFFAOYSA-N 1 2 340.423 3.546 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)o2)cc1 ZINC000173441784 1137126116 /nfs/dbraw/zinc/12/61/16/1137126116.db2.gz YGXAPEDNXRWNHA-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccc(F)cc3)C3CC3)o2)cc1 ZINC000173441784 1137126118 /nfs/dbraw/zinc/12/61/18/1137126118.db2.gz YGXAPEDNXRWNHA-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(OC(F)(F)F)c1 ZINC001144056612 1137235499 /nfs/dbraw/zinc/23/54/99/1137235499.db2.gz NLHAKJAYTIOWSA-DEZZGGKRSA-N 1 2 340.345 3.860 20 30 EHEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(OC(F)(F)F)c1 ZINC001144056612 1137235501 /nfs/dbraw/zinc/23/55/01/1137235501.db2.gz NLHAKJAYTIOWSA-DEZZGGKRSA-N 1 2 340.345 3.860 20 30 EHEDLO COC(=O)c1csc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000794723874 1137240683 /nfs/dbraw/zinc/24/06/83/1137240683.db2.gz LTMVWZZZRVNLRJ-IHWYPQMZSA-N 1 2 344.417 3.678 20 30 EHEDLO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cccc(C#N)c1O ZINC000866211084 1137335595 /nfs/dbraw/zinc/33/55/95/1137335595.db2.gz ALBKPTKDXGMDFI-YOEHRIQHSA-N 1 2 341.480 3.813 20 30 EHEDLO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)ccc1OC(C)C ZINC000866229428 1137336874 /nfs/dbraw/zinc/33/68/74/1137336874.db2.gz SQZABOYDQQINCM-CQSZACIVSA-N 1 2 340.423 3.910 20 30 EHEDLO C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000846756885 1137363565 /nfs/dbraw/zinc/36/35/65/1137363565.db2.gz OERSPXMUKHUTPF-DLSGHHDHSA-N 1 2 345.270 3.616 20 30 EHEDLO C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000846756885 1137363567 /nfs/dbraw/zinc/36/35/67/1137363567.db2.gz OERSPXMUKHUTPF-DLSGHHDHSA-N 1 2 345.270 3.616 20 30 EHEDLO N#Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000282791408 1137451678 /nfs/dbraw/zinc/45/16/78/1137451678.db2.gz JGLWOFZGTYAQGY-MRXNPFEDSA-N 1 2 349.438 3.503 20 30 EHEDLO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001172218251 1137541840 /nfs/dbraw/zinc/54/18/40/1137541840.db2.gz ZTWKITICXHVXEG-BELGNNRLSA-N 1 2 334.847 3.537 20 30 EHEDLO COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001172218251 1137541841 /nfs/dbraw/zinc/54/18/41/1137541841.db2.gz ZTWKITICXHVXEG-BELGNNRLSA-N 1 2 334.847 3.537 20 30 EHEDLO CC[C@H](C)[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172301581 1137545157 /nfs/dbraw/zinc/54/51/57/1137545157.db2.gz RSUYBTVFEOIYPG-MPGHIAIKSA-N 1 2 330.472 3.835 20 30 EHEDLO CC(C)[C@@H]1[N@H+](Cn2nc(CC#N)n(C)c2=S)CC12CCCCCC2 ZINC000872741456 1137583612 /nfs/dbraw/zinc/58/36/12/1137583612.db2.gz FFQBGKJNJDAIBA-INIZCTEOSA-N 1 2 347.532 3.655 20 30 EHEDLO CC(C)[C@@H]1[N@@H+](Cn2nc(CC#N)n(C)c2=S)CC12CCCCCC2 ZINC000872741456 1137583613 /nfs/dbraw/zinc/58/36/13/1137583613.db2.gz FFQBGKJNJDAIBA-INIZCTEOSA-N 1 2 347.532 3.655 20 30 EHEDLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C#N)cnc1Cl)CCC2 ZINC000876731380 1137659834 /nfs/dbraw/zinc/65/98/34/1137659834.db2.gz JMROIMFKUHMDKE-AWEZNQCLSA-N 1 2 332.860 3.881 20 30 EHEDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C#N)cnc1Cl)CCC2 ZINC000876731380 1137659835 /nfs/dbraw/zinc/65/98/35/1137659835.db2.gz JMROIMFKUHMDKE-AWEZNQCLSA-N 1 2 332.860 3.881 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876795886 1137661586 /nfs/dbraw/zinc/66/15/86/1137661586.db2.gz BFZWLMTWAYNRJV-ROUUACIJSA-N 1 2 333.391 3.805 20 30 EHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000876795886 1137661587 /nfs/dbraw/zinc/66/15/87/1137661587.db2.gz BFZWLMTWAYNRJV-ROUUACIJSA-N 1 2 333.391 3.805 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC ZINC000877671102 1137685151 /nfs/dbraw/zinc/68/51/51/1137685151.db2.gz FOSMDVIFEXPXIV-WOPDTQHZSA-N 1 2 327.774 3.771 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000877423708 1137675893 /nfs/dbraw/zinc/67/58/93/1137675893.db2.gz KBRPEOOJNJBUSB-IBGZPJMESA-N 1 2 339.826 3.628 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000877423708 1137675894 /nfs/dbraw/zinc/67/58/94/1137675894.db2.gz KBRPEOOJNJBUSB-IBGZPJMESA-N 1 2 339.826 3.628 20 30 EHEDLO CC(C)c1cc([C@H]2CCC[N@H+](Cc3cc(C#N)cnc3Cl)C2)n[nH]1 ZINC000877785116 1137689872 /nfs/dbraw/zinc/68/98/72/1137689872.db2.gz WIVBTGCKTBDCRC-AWEZNQCLSA-N 1 2 343.862 3.833 20 30 EHEDLO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)n[nH]1 ZINC000877785116 1137689873 /nfs/dbraw/zinc/68/98/73/1137689873.db2.gz WIVBTGCKTBDCRC-AWEZNQCLSA-N 1 2 343.862 3.833 20 30 EHEDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586924 1137751729 /nfs/dbraw/zinc/75/17/29/1137751729.db2.gz ZGHHVMUMPBGGJF-HNNXBMFYSA-N 1 2 332.407 3.583 20 30 EHEDLO N#Cc1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C1CC1 ZINC000881124665 1137800638 /nfs/dbraw/zinc/80/06/38/1137800638.db2.gz SVDNLSBMWLPMJP-AWEZNQCLSA-N 1 2 335.411 3.570 20 30 EHEDLO C=CCOc1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1Cl ZINC000883307369 1137853763 /nfs/dbraw/zinc/85/37/63/1137853763.db2.gz RRXMHDQIEJYHDG-UHFFFAOYSA-N 1 2 329.831 3.864 20 30 EHEDLO C[C@H](C#N)Oc1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1 ZINC000131628160 1137857581 /nfs/dbraw/zinc/85/75/81/1137857581.db2.gz XJQVWRPLSAZSHJ-MRXNPFEDSA-N 1 2 336.439 3.975 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(C)c1C ZINC000075596221 1138128808 /nfs/dbraw/zinc/12/88/08/1138128808.db2.gz XGVAIUJWWJPXRG-UHFFFAOYSA-N 1 2 327.453 3.616 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(C)c1C ZINC000075596221 1138128809 /nfs/dbraw/zinc/12/88/09/1138128809.db2.gz XGVAIUJWWJPXRG-UHFFFAOYSA-N 1 2 327.453 3.616 20 30 EHEDLO N#CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCCC1 ZINC000263650964 1138336365 /nfs/dbraw/zinc/33/63/65/1138336365.db2.gz CKPRQSGFBJSRFJ-UHFFFAOYSA-N 1 2 328.803 3.938 20 30 EHEDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)s1 ZINC000130924565 1138484476 /nfs/dbraw/zinc/48/44/76/1138484476.db2.gz DQZPWXRYTFLGIY-UHFFFAOYSA-N 1 2 327.453 3.697 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)s1 ZINC000130924565 1138484478 /nfs/dbraw/zinc/48/44/78/1138484478.db2.gz DQZPWXRYTFLGIY-UHFFFAOYSA-N 1 2 327.453 3.697 20 30 EHEDLO Cc1cc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000887697654 1138682937 /nfs/dbraw/zinc/68/29/37/1138682937.db2.gz KQELYDAGAIATKP-UHFFFAOYSA-N 1 2 333.435 3.898 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3cccc(C)c3C2)c(C#N)c1C ZINC000429572398 1139364384 /nfs/dbraw/zinc/36/43/84/1139364384.db2.gz UEZVMCFYSKJKQZ-UHFFFAOYSA-N 1 2 339.464 3.542 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CCc3cccc(C)c3C2)c(C#N)c1C ZINC000429572398 1139364390 /nfs/dbraw/zinc/36/43/90/1139364390.db2.gz UEZVMCFYSKJKQZ-UHFFFAOYSA-N 1 2 339.464 3.542 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000188597935 1140302197 /nfs/dbraw/zinc/30/21/97/1140302197.db2.gz GRUYXGGUJDRIFL-HXUWFJFHSA-N 1 2 329.488 3.749 20 30 EHEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191296512 1140452640 /nfs/dbraw/zinc/45/26/40/1140452640.db2.gz BLKPMBVMLUGOFA-IBGZPJMESA-N 1 2 333.439 3.603 20 30 EHEDLO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191296512 1140452645 /nfs/dbraw/zinc/45/26/45/1140452645.db2.gz BLKPMBVMLUGOFA-IBGZPJMESA-N 1 2 333.439 3.603 20 30 EHEDLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000274137587 1141478685 /nfs/dbraw/zinc/47/86/85/1141478685.db2.gz GFAVFPGHFVVUBL-INIZCTEOSA-N 1 2 341.480 3.529 20 30 EHEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000579789065 1014556511 /nfs/dbraw/zinc/55/65/11/1014556511.db2.gz SECQBZWVDUXHPN-LJQANCHMSA-N 1 2 331.423 3.660 20 30 EHEDLO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000579789065 1014556520 /nfs/dbraw/zinc/55/65/20/1014556520.db2.gz SECQBZWVDUXHPN-LJQANCHMSA-N 1 2 331.423 3.660 20 30 EHEDLO CCCCCCC[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001626364869 1016141774 /nfs/dbraw/zinc/14/17/74/1016141774.db2.gz WDDNZTJDZHJCEY-CRAIPNDOSA-N 1 2 334.508 3.903 20 30 EHEDLO CCCCCCC[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001626364869 1016141777 /nfs/dbraw/zinc/14/17/77/1016141777.db2.gz WDDNZTJDZHJCEY-CRAIPNDOSA-N 1 2 334.508 3.903 20 30 EHEDLO CCCCCCC[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001626364872 1016142746 /nfs/dbraw/zinc/14/27/46/1016142746.db2.gz WDDNZTJDZHJCEY-YJBOKZPZSA-N 1 2 334.508 3.903 20 30 EHEDLO CCCCCCC[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001626364872 1016142754 /nfs/dbraw/zinc/14/27/54/1016142754.db2.gz WDDNZTJDZHJCEY-YJBOKZPZSA-N 1 2 334.508 3.903 20 30 EHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000547826386 1016940825 /nfs/dbraw/zinc/94/08/25/1016940825.db2.gz QUNOAQZWAZXVRL-GOSISDBHSA-N 1 2 342.393 3.505 20 30 EHEDLO C=C(C)c1ccc(NCCSCc2csc(C[NH+](C)C)n2)nc1 ZINC001168106872 1032203488 /nfs/dbraw/zinc/20/34/88/1032203488.db2.gz HPGWATSKQCEGMU-UHFFFAOYSA-N 1 2 348.541 3.978 20 30 EHEDLO COC(=O)c1sccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000176931682 1017518515 /nfs/dbraw/zinc/51/85/15/1017518515.db2.gz YDKFWVSAEYGVJI-UHFFFAOYSA-N 1 2 326.421 3.571 20 30 EHEDLO COC(=O)c1sccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000176931682 1017518531 /nfs/dbraw/zinc/51/85/31/1017518531.db2.gz YDKFWVSAEYGVJI-UHFFFAOYSA-N 1 2 326.421 3.571 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000177207249 1017598515 /nfs/dbraw/zinc/59/85/15/1017598515.db2.gz IWFMXFYDSFHQSY-LSDHHAIUSA-N 1 2 349.525 3.535 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000177207249 1017598529 /nfs/dbraw/zinc/59/85/29/1017598529.db2.gz IWFMXFYDSFHQSY-LSDHHAIUSA-N 1 2 349.525 3.535 20 30 EHEDLO Cc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)nc(C2CCC2)[nH+]1 ZINC000893029407 1018216104 /nfs/dbraw/zinc/21/61/04/1018216104.db2.gz FNGAMRTXFGNCAJ-SFHVURJKSA-N 1 2 334.423 3.502 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000728711574 1018355398 /nfs/dbraw/zinc/35/53/98/1018355398.db2.gz IBHIJVSCSHMZSQ-JXFKEZNVSA-N 1 2 346.434 3.590 20 30 EHEDLO CCN(CC)c1ncc(C=[NH+]Nc2cc(F)c(F)c(F)c2)s1 ZINC000747642400 1019288889 /nfs/dbraw/zinc/28/88/89/1019288889.db2.gz OLXSCPMKFGGSPF-UHFFFAOYSA-N 1 2 328.363 3.853 20 30 EHEDLO Cc1cc2c(s1)N(c1cc(C#N)ncn1)c1ccccc1NC2=[NH2+] ZINC001167456621 1020760405 /nfs/dbraw/zinc/76/04/05/1020760405.db2.gz JPCQIVZJAMIOGB-UHFFFAOYSA-N 1 2 332.392 3.538 20 30 EHEDLO C=CCN(CCC#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000297927090 1021719923 /nfs/dbraw/zinc/71/99/23/1021719923.db2.gz ZRKPEQWWXUCPFN-UHFFFAOYSA-N 1 2 347.422 3.535 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000437578571 1021963688 /nfs/dbraw/zinc/96/36/88/1021963688.db2.gz GNMQKEJZJVEMIQ-UXHICEINSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000437578571 1021963704 /nfs/dbraw/zinc/96/37/04/1021963704.db2.gz GNMQKEJZJVEMIQ-UXHICEINSA-N 1 2 331.419 3.839 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000519505633 1022166614 /nfs/dbraw/zinc/16/66/14/1022166614.db2.gz LHNGCFIVZKCXKP-UHFFFAOYSA-N 1 2 349.434 3.976 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000519505633 1022166626 /nfs/dbraw/zinc/16/66/26/1022166626.db2.gz LHNGCFIVZKCXKP-UHFFFAOYSA-N 1 2 349.434 3.976 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(Br)cc1 ZINC000894669456 1022685098 /nfs/dbraw/zinc/68/50/98/1022685098.db2.gz SJYPWBDFIPWTCA-MRXNPFEDSA-N 1 2 344.256 3.524 20 30 EHEDLO Cc1[nH+]c(NCc2ccc(C(C)(C)C#N)cc2)ccc1-c1cnn(C)c1 ZINC000593945532 1033082911 /nfs/dbraw/zinc/08/29/11/1033082911.db2.gz YJQDQSJNIVYZMB-UHFFFAOYSA-N 1 2 345.450 3.626 20 30 EHEDLO N#Cc1ccc(F)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610604763 1022988729 /nfs/dbraw/zinc/98/87/29/1022988729.db2.gz KOAMXRUWUPADCS-PHIMTYICSA-N 1 2 340.242 3.870 20 30 EHEDLO N#Cc1ccc(F)c(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610604763 1022988742 /nfs/dbraw/zinc/98/87/42/1022988742.db2.gz KOAMXRUWUPADCS-PHIMTYICSA-N 1 2 340.242 3.870 20 30 EHEDLO C[C@H](c1cc(F)ccc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507275747 1023226488 /nfs/dbraw/zinc/22/64/88/1023226488.db2.gz DFNAVFHHROAEDZ-CQSZACIVSA-N 1 2 327.378 3.720 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000594010012 1033157212 /nfs/dbraw/zinc/15/72/12/1033157212.db2.gz VDEJQFAVGXPPIH-FQEVSTJZSA-N 1 2 349.478 3.607 20 30 EHEDLO COCC1(C#N)CC[NH+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000341993615 1023745811 /nfs/dbraw/zinc/74/58/11/1023745811.db2.gz RJFZFXAOKXLGGS-OAHLLOKOSA-N 1 2 325.412 3.655 20 30 EHEDLO CC1(C)CCc2ccccc2[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000329653590 1023985243 /nfs/dbraw/zinc/98/52/43/1023985243.db2.gz LIZCRGYQEWWCPU-SFHVURJKSA-N 1 2 338.455 3.717 20 30 EHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000434681388 1024307992 /nfs/dbraw/zinc/30/79/92/1024307992.db2.gz NVJAKPHPNLFTQX-KRWDZBQOSA-N 1 2 326.440 3.991 20 30 EHEDLO CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1CCC(C(C)(C)C)CC1 ZINC000330287898 1024383939 /nfs/dbraw/zinc/38/39/39/1024383939.db2.gz CTJPNPIOBISNPQ-HWOWSKLDSA-N 1 2 332.492 3.649 20 30 EHEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000602860384 1033212841 /nfs/dbraw/zinc/21/28/41/1033212841.db2.gz CUSCIZSFCYWTIA-QAPCUYQASA-N 1 2 327.472 3.539 20 30 EHEDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)o1 ZINC000434982089 1024527983 /nfs/dbraw/zinc/52/79/83/1024527983.db2.gz NIHHGXVENUNSBG-AHRSYUTCSA-N 1 2 335.451 3.785 20 30 EHEDLO Cc1cc(F)ccc1N(Cc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000435052234 1024581806 /nfs/dbraw/zinc/58/18/06/1024581806.db2.gz SUWUYBOTFHXVJJ-UHFFFAOYSA-N 1 2 334.398 3.946 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000346280610 1024596820 /nfs/dbraw/zinc/59/68/20/1024596820.db2.gz SLGTZTYHLNDXCH-CYBMUJFWSA-N 1 2 345.424 3.672 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000346280610 1024596829 /nfs/dbraw/zinc/59/68/29/1024596829.db2.gz SLGTZTYHLNDXCH-CYBMUJFWSA-N 1 2 345.424 3.672 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC000895656250 1024692916 /nfs/dbraw/zinc/69/29/16/1024692916.db2.gz OQSCQZMHNSSVPJ-ZDUSSCGKSA-N 1 2 328.362 3.814 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC000895656250 1024692923 /nfs/dbraw/zinc/69/29/23/1024692923.db2.gz OQSCQZMHNSSVPJ-ZDUSSCGKSA-N 1 2 328.362 3.814 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000114723681 1024753540 /nfs/dbraw/zinc/75/35/40/1024753540.db2.gz PQLWREGFQLLZIZ-HNNXBMFYSA-N 1 2 329.469 3.551 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[NH+](CCC)CCC)c1=S ZINC000124348989 1024794267 /nfs/dbraw/zinc/79/42/67/1024794267.db2.gz PGVFXQGBOGLODI-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000281323270 1024924910 /nfs/dbraw/zinc/92/49/10/1024924910.db2.gz KTEHQFYMNOKZKW-JZXOWHBKSA-N 1 2 345.487 3.772 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000281323270 1024924920 /nfs/dbraw/zinc/92/49/20/1024924920.db2.gz KTEHQFYMNOKZKW-JZXOWHBKSA-N 1 2 345.487 3.772 20 30 EHEDLO CC(C)(C)c1cnc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)o1 ZINC000602894481 1033246506 /nfs/dbraw/zinc/24/65/06/1033246506.db2.gz CTFQWKRXFQRQRL-UHFFFAOYSA-N 1 2 338.455 3.920 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508318386 1025034030 /nfs/dbraw/zinc/03/40/30/1025034030.db2.gz UALWPLQLZHDSDT-ZWKOTPCHSA-N 1 2 344.499 3.720 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000508318386 1025034043 /nfs/dbraw/zinc/03/40/43/1025034043.db2.gz UALWPLQLZHDSDT-ZWKOTPCHSA-N 1 2 344.499 3.720 20 30 EHEDLO CCCOc1ccc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)cn1 ZINC000924999934 1025219408 /nfs/dbraw/zinc/21/94/08/1025219408.db2.gz OZIVRPXCHALJSM-QGZVFWFLSA-N 1 2 325.412 3.689 20 30 EHEDLO FC1(F)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000896392532 1025398965 /nfs/dbraw/zinc/39/89/65/1025398965.db2.gz GEHCPTXXLNLLSP-OCAPTIKFSA-N 1 2 346.221 3.689 20 30 EHEDLO Cc1oc(C#N)cc1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425572170 1025787022 /nfs/dbraw/zinc/78/70/22/1025787022.db2.gz OEEYTKVVCPLGFE-UHFFFAOYSA-N 1 2 346.390 3.912 20 30 EHEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCc1cccc(C#N)c1 ZINC000342507172 1025954295 /nfs/dbraw/zinc/95/42/95/1025954295.db2.gz YRVYUVXUTNAYTI-INIZCTEOSA-N 1 2 349.434 3.737 20 30 EHEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCc1cccc(C#N)c1 ZINC000342507172 1025954315 /nfs/dbraw/zinc/95/43/15/1025954315.db2.gz YRVYUVXUTNAYTI-INIZCTEOSA-N 1 2 349.434 3.737 20 30 EHEDLO FC(F)(F)CO[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000530699254 1026226073 /nfs/dbraw/zinc/22/60/73/1026226073.db2.gz JINPHMADIBDIAD-OAHLLOKOSA-N 1 2 331.765 3.735 20 30 EHEDLO FC(F)(F)CO[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000530699254 1026226084 /nfs/dbraw/zinc/22/60/84/1026226084.db2.gz JINPHMADIBDIAD-OAHLLOKOSA-N 1 2 331.765 3.735 20 30 EHEDLO COc1ccccc1C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCO1 ZINC000051798823 1026813317 /nfs/dbraw/zinc/81/33/17/1026813317.db2.gz ISYFFIGMBDSVME-FQEVSTJZSA-N 1 2 336.435 3.748 20 30 EHEDLO COc1ccccc1C[N@H+](Cc1ccccc1C#N)C[C@@H]1CCCO1 ZINC000051798823 1026813325 /nfs/dbraw/zinc/81/33/25/1026813325.db2.gz ISYFFIGMBDSVME-FQEVSTJZSA-N 1 2 336.435 3.748 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(OC(F)F)c1 ZINC000531472165 1026959865 /nfs/dbraw/zinc/95/98/65/1026959865.db2.gz AHPLBMIPPCOWNJ-INIZCTEOSA-N 1 2 329.350 3.892 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(OC(F)F)c1 ZINC000531472165 1026959872 /nfs/dbraw/zinc/95/98/72/1026959872.db2.gz AHPLBMIPPCOWNJ-INIZCTEOSA-N 1 2 329.350 3.892 20 30 EHEDLO Cc1c([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)nnn1-c1ccccc1 ZINC000342790707 1027061838 /nfs/dbraw/zinc/06/18/38/1027061838.db2.gz AXCIKDNSNUCJAL-OAHLLOKOSA-N 1 2 343.434 3.787 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000501213158 1027138907 /nfs/dbraw/zinc/13/89/07/1027138907.db2.gz YLOLPBBNCQYTHP-KKSFZXQISA-N 1 2 336.435 3.837 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000501213158 1027138913 /nfs/dbraw/zinc/13/89/13/1027138913.db2.gz YLOLPBBNCQYTHP-KKSFZXQISA-N 1 2 336.435 3.837 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000127167618 1027278636 /nfs/dbraw/zinc/27/86/36/1027278636.db2.gz YZSMKLUZIFUPER-HXUWFJFHSA-N 1 2 325.408 3.531 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000127167618 1027278647 /nfs/dbraw/zinc/27/86/47/1027278647.db2.gz YZSMKLUZIFUPER-HXUWFJFHSA-N 1 2 325.408 3.531 20 30 EHEDLO COc1ccc(OC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)cc1 ZINC000531834896 1027452986 /nfs/dbraw/zinc/45/29/86/1027452986.db2.gz NRFVTHJPVALHNV-UHFFFAOYSA-N 1 2 340.398 3.749 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000420933978 1027884183 /nfs/dbraw/zinc/88/41/83/1027884183.db2.gz JGYNQLSWEPQBKD-OAHLLOKOSA-N 1 2 349.883 3.668 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000420933978 1027884213 /nfs/dbraw/zinc/88/42/13/1027884213.db2.gz JGYNQLSWEPQBKD-OAHLLOKOSA-N 1 2 349.883 3.668 20 30 EHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610026617 1027931643 /nfs/dbraw/zinc/93/16/43/1027931643.db2.gz PMAAOWOMQBJAMA-UHFFFAOYSA-N 1 2 347.422 3.896 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421051521 1028037250 /nfs/dbraw/zinc/03/72/50/1028037250.db2.gz LSRRYSFMRBTDSE-UHFFFAOYSA-N 1 2 325.412 3.975 20 30 EHEDLO Cc1cc(CNC(=O)Nc2cc(C#N)ccc2OC(C)C)cc(C)[nH+]1 ZINC000421091081 1028074942 /nfs/dbraw/zinc/07/49/42/1028074942.db2.gz UMGRSPXVRXCAHD-UHFFFAOYSA-N 1 2 338.411 3.679 20 30 EHEDLO Cc1nnc([C@H](C)[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)o1 ZINC000582943716 1028337748 /nfs/dbraw/zinc/33/77/48/1028337748.db2.gz GUUPIUSGHLIYFW-INIZCTEOSA-N 1 2 346.434 3.929 20 30 EHEDLO COc1cc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)ccc1C#N ZINC000366929016 1028370785 /nfs/dbraw/zinc/37/07/85/1028370785.db2.gz XUOZBZYVNQFPMW-NRFANRHFSA-N 1 2 347.393 3.980 20 30 EHEDLO C=CC[N@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1cccs1 ZINC000524754155 1029484977 /nfs/dbraw/zinc/48/49/77/1029484977.db2.gz XEEYDBKQVVXUPJ-UHFFFAOYSA-N 1 2 340.492 3.932 20 30 EHEDLO C=CC[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)Cc1cccs1 ZINC000524754155 1029484984 /nfs/dbraw/zinc/48/49/84/1029484984.db2.gz XEEYDBKQVVXUPJ-UHFFFAOYSA-N 1 2 340.492 3.932 20 30 EHEDLO C#CC[N@@H+](CN1C(=O)C[C@H]1c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000054516503 1029689157 /nfs/dbraw/zinc/68/91/57/1029689157.db2.gz MUJKWFUFBDJSRE-RTWAWAEBSA-N 1 2 330.431 3.540 20 30 EHEDLO C#CC[N@H+](CN1C(=O)C[C@H]1c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000054516503 1029689165 /nfs/dbraw/zinc/68/91/65/1029689165.db2.gz MUJKWFUFBDJSRE-RTWAWAEBSA-N 1 2 330.431 3.540 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C(=O)Nc1cccc(C#N)c1 ZINC000340443237 1030371103 /nfs/dbraw/zinc/37/11/03/1030371103.db2.gz FOUOTJMFUXRVGB-NWDGAFQWSA-N 1 2 329.350 3.514 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527628097 1031082285 /nfs/dbraw/zinc/08/22/85/1031082285.db2.gz VYWBTMLFGWYLOM-UHFFFAOYSA-N 1 2 325.225 3.886 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527628097 1031082298 /nfs/dbraw/zinc/08/22/98/1031082298.db2.gz VYWBTMLFGWYLOM-UHFFFAOYSA-N 1 2 325.225 3.886 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000483431976 1031166911 /nfs/dbraw/zinc/16/69/11/1031166911.db2.gz FQMXUVAASRQVHN-NRFANRHFSA-N 1 2 339.435 3.531 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000483431976 1031166926 /nfs/dbraw/zinc/16/69/26/1031166926.db2.gz FQMXUVAASRQVHN-NRFANRHFSA-N 1 2 339.435 3.531 20 30 EHEDLO C=CC[N@@H+](Cc1oc(-c2ccccc2)nc1C(=O)OCC)C1CC1 ZINC000537854269 1031979759 /nfs/dbraw/zinc/97/97/59/1031979759.db2.gz FWEPHLJQBZLIQJ-UHFFFAOYSA-N 1 2 326.396 3.669 20 30 EHEDLO C=CC[N@H+](Cc1oc(-c2ccccc2)nc1C(=O)OCC)C1CC1 ZINC000537854269 1031979773 /nfs/dbraw/zinc/97/97/73/1031979773.db2.gz FWEPHLJQBZLIQJ-UHFFFAOYSA-N 1 2 326.396 3.669 20 30 EHEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCC(C)(C)CCC#N)ccc21 ZINC000603020970 1033313272 /nfs/dbraw/zinc/31/32/72/1033313272.db2.gz IKZQBPPLCOQSHD-UHFFFAOYSA-N 1 2 339.443 3.752 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(OCC)c1 ZINC000598670726 1033389327 /nfs/dbraw/zinc/38/93/27/1033389327.db2.gz OJYBFHQINCHNKV-UHFFFAOYSA-N 1 2 327.384 3.577 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cncc(OCC)c1 ZINC000598670726 1033389346 /nfs/dbraw/zinc/38/93/46/1033389346.db2.gz OJYBFHQINCHNKV-UHFFFAOYSA-N 1 2 327.384 3.577 20 30 EHEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595704345 1033952411 /nfs/dbraw/zinc/95/24/11/1033952411.db2.gz PPMGHIILLKPFAR-WOJBJXKFSA-N 1 2 349.409 3.640 20 30 EHEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000595704345 1033952420 /nfs/dbraw/zinc/95/24/20/1033952420.db2.gz PPMGHIILLKPFAR-WOJBJXKFSA-N 1 2 349.409 3.640 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1F ZINC000595718196 1033959431 /nfs/dbraw/zinc/95/94/31/1033959431.db2.gz RGPORZOKUWVDKT-SFHVURJKSA-N 1 2 326.371 3.644 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1F ZINC000595718196 1033959450 /nfs/dbraw/zinc/95/94/50/1033959450.db2.gz RGPORZOKUWVDKT-SFHVURJKSA-N 1 2 326.371 3.644 20 30 EHEDLO C[C@H](c1ccsc1)[NH+]1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596218267 1034124338 /nfs/dbraw/zinc/12/43/38/1034124338.db2.gz IVGAVFPCIDINLE-SNVBAGLBSA-N 1 2 338.889 3.613 20 30 EHEDLO Cn1cc(-c2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cs2)cn1 ZINC000604492507 1034397123 /nfs/dbraw/zinc/39/71/23/1034397123.db2.gz OSJANNVLPLFPFR-UHFFFAOYSA-N 1 2 349.463 3.580 20 30 EHEDLO Cn1cc(-c2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cs2)cn1 ZINC000604492507 1034397139 /nfs/dbraw/zinc/39/71/39/1034397139.db2.gz OSJANNVLPLFPFR-UHFFFAOYSA-N 1 2 349.463 3.580 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1F ZINC000596983670 1034481652 /nfs/dbraw/zinc/48/16/52/1034481652.db2.gz DGEAZOUDZRYNSN-UHFFFAOYSA-N 1 2 334.341 3.624 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1F ZINC000596983670 1034481657 /nfs/dbraw/zinc/48/16/57/1034481657.db2.gz DGEAZOUDZRYNSN-UHFFFAOYSA-N 1 2 334.341 3.624 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450529520 1034484989 /nfs/dbraw/zinc/48/49/89/1034484989.db2.gz VBFFZTNPMYJTMJ-GDBMZVCRSA-N 1 2 340.389 3.568 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000450529520 1034485004 /nfs/dbraw/zinc/48/50/04/1034485004.db2.gz VBFFZTNPMYJTMJ-GDBMZVCRSA-N 1 2 340.389 3.568 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)o2)cc1 ZINC000597232706 1034614195 /nfs/dbraw/zinc/61/41/95/1034614195.db2.gz VYURDNTXYJIVKA-FQEVSTJZSA-N 1 2 338.407 3.859 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)o2)cc1 ZINC000597232706 1034614201 /nfs/dbraw/zinc/61/42/01/1034614201.db2.gz VYURDNTXYJIVKA-FQEVSTJZSA-N 1 2 338.407 3.859 20 30 EHEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000597256951 1034630643 /nfs/dbraw/zinc/63/06/43/1034630643.db2.gz BIFJOIFBMUAFBI-WRWLIDTKSA-N 1 2 336.439 3.520 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000491229595 1034702813 /nfs/dbraw/zinc/70/28/13/1034702813.db2.gz IKZGZPGXDXVAFL-AWEZNQCLSA-N 1 2 327.737 3.563 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000580895637 1035461491 /nfs/dbraw/zinc/46/14/91/1035461491.db2.gz LUJDPZUMPOJEOJ-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000580895637 1035461495 /nfs/dbraw/zinc/46/14/95/1035461495.db2.gz LUJDPZUMPOJEOJ-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO COCC[N@H+](CCC#N)C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000589162789 1036287205 /nfs/dbraw/zinc/28/72/05/1036287205.db2.gz OLIMIFWDDXBLFJ-KAMYIIQDSA-N 1 2 326.362 3.971 20 30 EHEDLO COCC[N@@H+](CCC#N)C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000589162789 1036287218 /nfs/dbraw/zinc/28/72/18/1036287218.db2.gz OLIMIFWDDXBLFJ-KAMYIIQDSA-N 1 2 326.362 3.971 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495383 1036436814 /nfs/dbraw/zinc/43/68/14/1036436814.db2.gz VHWCWIROLYWIGB-UHFFFAOYSA-N 1 2 346.408 3.631 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589495383 1036436822 /nfs/dbraw/zinc/43/68/22/1036436822.db2.gz VHWCWIROLYWIGB-UHFFFAOYSA-N 1 2 346.408 3.631 20 30 EHEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000170959389 1036576165 /nfs/dbraw/zinc/57/61/65/1036576165.db2.gz WHHNQVVBODEANO-UHFFFAOYSA-N 1 2 347.434 3.529 20 30 EHEDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc(Cl)cc2C#N)c1 ZINC000452046275 1036593005 /nfs/dbraw/zinc/59/30/05/1036593005.db2.gz KIMVBIMUMPCQKU-UHFFFAOYSA-N 1 2 344.842 3.605 20 30 EHEDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(Cl)cc2C#N)c1 ZINC000452046275 1036593019 /nfs/dbraw/zinc/59/30/19/1036593019.db2.gz KIMVBIMUMPCQKU-UHFFFAOYSA-N 1 2 344.842 3.605 20 30 EHEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000442882819 1036651679 /nfs/dbraw/zinc/65/16/79/1036651679.db2.gz GAYAAJVUWFIIPS-JLTOFOAXSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000442882819 1036651688 /nfs/dbraw/zinc/65/16/88/1036651688.db2.gz GAYAAJVUWFIIPS-JLTOFOAXSA-N 1 2 340.398 3.668 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2nccn2-c2ccccc2)C2CC2)cc1 ZINC000191224039 1036704776 /nfs/dbraw/zinc/70/47/76/1036704776.db2.gz HJHAEWXDRZPUCE-UHFFFAOYSA-N 1 2 328.419 3.909 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2nccn2-c2ccccc2)C2CC2)cc1 ZINC000191224039 1036704793 /nfs/dbraw/zinc/70/47/93/1036704793.db2.gz HJHAEWXDRZPUCE-UHFFFAOYSA-N 1 2 328.419 3.909 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000177251422 1036795242 /nfs/dbraw/zinc/79/52/42/1036795242.db2.gz OIWPIVAWLREDTG-UHFFFAOYSA-N 1 2 339.464 3.863 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000177251422 1036795271 /nfs/dbraw/zinc/79/52/71/1036795271.db2.gz OIWPIVAWLREDTG-UHFFFAOYSA-N 1 2 339.464 3.863 20 30 EHEDLO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(F)cc1C#N ZINC000103139507 1036852659 /nfs/dbraw/zinc/85/26/59/1036852659.db2.gz ZMEMDMFKJISWQX-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(F)cc1C#N ZINC000103139507 1036852689 /nfs/dbraw/zinc/85/26/89/1036852689.db2.gz ZMEMDMFKJISWQX-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(CC#N)CC1 ZINC000541951977 1036881471 /nfs/dbraw/zinc/88/14/71/1036881471.db2.gz LXFCVQHRYPCDSC-LLVKDONJSA-N 1 2 340.254 3.946 20 30 EHEDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000541952220 1036890222 /nfs/dbraw/zinc/89/02/22/1036890222.db2.gz LMFYTNHSALYAQX-CABCVRRESA-N 1 2 349.434 3.513 20 30 EHEDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]2C ZINC000541952220 1036890245 /nfs/dbraw/zinc/89/02/45/1036890245.db2.gz LMFYTNHSALYAQX-CABCVRRESA-N 1 2 349.434 3.513 20 30 EHEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000462931035 1037556098 /nfs/dbraw/zinc/55/60/98/1037556098.db2.gz LSHSQWXXELFQSN-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO CC[N@H+](CCC1CC1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000760879125 1037566320 /nfs/dbraw/zinc/56/63/20/1037566320.db2.gz AVTPPEYUMKDFPM-AWEZNQCLSA-N 1 2 327.453 3.595 20 30 EHEDLO CC[N@@H+](CCC1CC1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000760879125 1037566345 /nfs/dbraw/zinc/56/63/45/1037566345.db2.gz AVTPPEYUMKDFPM-AWEZNQCLSA-N 1 2 327.453 3.595 20 30 EHEDLO N#Cc1cc(NC(=O)CCn2cc[nH+]c2)ccc1Oc1ccccc1 ZINC000493943156 1037734009 /nfs/dbraw/zinc/73/40/09/1037734009.db2.gz CMPCBYVHZCVYNV-UHFFFAOYSA-N 1 2 332.363 3.576 20 30 EHEDLO C=CCN(CC=C)C(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000540433889 1037954258 /nfs/dbraw/zinc/95/42/58/1037954258.db2.gz ATHNPLJLUVXPMJ-UHFFFAOYSA-N 1 2 339.266 3.773 20 30 EHEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000592523190 1038003882 /nfs/dbraw/zinc/00/38/82/1038003882.db2.gz XCLCYZRJNNIPHJ-GOSISDBHSA-N 1 2 334.847 3.512 20 30 EHEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000592523190 1038003905 /nfs/dbraw/zinc/00/39/05/1038003905.db2.gz XCLCYZRJNNIPHJ-GOSISDBHSA-N 1 2 334.847 3.512 20 30 EHEDLO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)Cc1ccccc1F ZINC000485802372 1039577450 /nfs/dbraw/zinc/57/74/50/1039577450.db2.gz SMVNYZQGLBBMOW-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)Cc1ccccc1F ZINC000485802372 1039577459 /nfs/dbraw/zinc/57/74/59/1039577459.db2.gz SMVNYZQGLBBMOW-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CC(C)C)CC(F)(F)F)Cc1cccs1 ZINC000549800139 1039907941 /nfs/dbraw/zinc/90/79/41/1039907941.db2.gz KMUCTILSUOZOQO-UHFFFAOYSA-N 1 2 348.434 3.783 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CC(C)C)CC(F)(F)F)Cc1cccs1 ZINC000549800139 1039907949 /nfs/dbraw/zinc/90/79/49/1039907949.db2.gz KMUCTILSUOZOQO-UHFFFAOYSA-N 1 2 348.434 3.783 20 30 EHEDLO C=CCC(C)(C)CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000489890012 1040222693 /nfs/dbraw/zinc/22/26/93/1040222693.db2.gz XZLXLLPPKGIDIU-UHFFFAOYSA-N 1 2 331.485 3.594 20 30 EHEDLO N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000433315016 1041259319 /nfs/dbraw/zinc/25/93/19/1041259319.db2.gz ASKSHMRHHYFEBX-KRWDZBQOSA-N 1 2 330.391 3.583 20 30 EHEDLO CC[C@H](CC#N)[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000054183580 1041544388 /nfs/dbraw/zinc/54/43/88/1041544388.db2.gz MJVUJBUJFJCACX-LLVKDONJSA-N 1 2 333.176 3.832 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)Nc3ccccc3SCCC#N)ccn12 ZINC001126054109 1042031994 /nfs/dbraw/zinc/03/19/94/1042031994.db2.gz SVDFDGIFXBJMOK-UHFFFAOYSA-N 1 2 336.420 3.901 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184414928 1042532175 /nfs/dbraw/zinc/53/21/75/1042532175.db2.gz APCVEGNQJQYZTD-LBPRGKRZSA-N 1 2 333.482 3.711 20 30 EHEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000609486176 1042983765 /nfs/dbraw/zinc/98/37/65/1042983765.db2.gz FFZDDCDNEDMXNG-GOSISDBHSA-N 1 2 342.874 3.554 20 30 EHEDLO C=CCCC(C)(C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000663551649 1042992956 /nfs/dbraw/zinc/99/29/56/1042992956.db2.gz AUNLMQCGCADCQE-UHFFFAOYSA-N 1 2 330.476 3.616 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1OC ZINC000344697077 1044294549 /nfs/dbraw/zinc/29/45/49/1044294549.db2.gz GNEJMFPDWFNWHU-ZDUSSCGKSA-N 1 2 348.468 3.714 20 30 EHEDLO C=CCOc1ccccc1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000344767802 1044399662 /nfs/dbraw/zinc/39/96/62/1044399662.db2.gz ZXSXWNWUMMRRFJ-INIZCTEOSA-N 1 2 343.496 3.587 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000163181662 1125538545 /nfs/dbraw/zinc/53/85/45/1125538545.db2.gz ZHMHROSYRWFACI-UHFFFAOYSA-N 1 2 346.408 3.631 20 30 EHEDLO C=CC[N@H+](Cc1ccc(C(=O)OC)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000163181662 1125538551 /nfs/dbraw/zinc/53/85/51/1125538551.db2.gz ZHMHROSYRWFACI-UHFFFAOYSA-N 1 2 346.408 3.631 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000076153899 1125545477 /nfs/dbraw/zinc/54/54/77/1125545477.db2.gz OIZJWKJEIGBOEG-NMMYMHLASA-N 1 2 338.476 3.566 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000076153899 1125545481 /nfs/dbraw/zinc/54/54/81/1125545481.db2.gz OIZJWKJEIGBOEG-NMMYMHLASA-N 1 2 338.476 3.566 20 30 EHEDLO COC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C)o1 ZINC000184662711 1127410663 /nfs/dbraw/zinc/41/06/63/1127410663.db2.gz RNGVRDKGRKIULR-MRXNPFEDSA-N 1 2 337.341 3.936 20 30 EHEDLO CC[C@@H](CSC)[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091099404 1128449534 /nfs/dbraw/zinc/44/95/34/1128449534.db2.gz ZGLJFISINGMNJJ-HNNXBMFYSA-N 1 2 328.485 3.626 20 30 EHEDLO CC[C@@H](CSC)[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091099404 1128449537 /nfs/dbraw/zinc/44/95/37/1128449537.db2.gz ZGLJFISINGMNJJ-HNNXBMFYSA-N 1 2 328.485 3.626 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(OC)cc1 ZINC000054271995 1128471773 /nfs/dbraw/zinc/47/17/73/1128471773.db2.gz GLRFVBOKSBCGFS-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(OC)cc1 ZINC000054271995 1128471776 /nfs/dbraw/zinc/47/17/76/1128471776.db2.gz GLRFVBOKSBCGFS-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO N#Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)c2ccccc2n1 ZINC000301343879 1128586848 /nfs/dbraw/zinc/58/68/48/1128586848.db2.gz GQQSIHQNGXNSOT-UHFFFAOYSA-N 1 2 329.407 3.582 20 30 EHEDLO N#CC1CC[NH+](CC(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000057874231 1128716961 /nfs/dbraw/zinc/71/69/61/1128716961.db2.gz SGEFOLJYRKXZTA-OAQYLSRUSA-N 1 2 339.483 3.660 20 30 EHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000494947114 1120910052 /nfs/dbraw/zinc/91/00/52/1120910052.db2.gz JVBQJRBBJLJZAX-UHFFFAOYSA-N 1 2 335.835 3.734 20 30 EHEDLO Cc1cc(F)ccc1C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000487980300 1121423679 /nfs/dbraw/zinc/42/36/79/1121423679.db2.gz FGRLBLFHSQWMMH-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000487980300 1121423682 /nfs/dbraw/zinc/42/36/82/1121423682.db2.gz FGRLBLFHSQWMMH-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO CC[NH+](CC)Cc1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000915980799 1122006295 /nfs/dbraw/zinc/00/62/95/1122006295.db2.gz DDUSSTUSRFLEQY-DEDYPNTBSA-N 1 2 341.411 3.761 20 30 EHEDLO CC(C)C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917096974 1122497619 /nfs/dbraw/zinc/49/76/19/1122497619.db2.gz OCFOKAKYCHJVFY-AWEZNQCLSA-N 1 2 327.453 3.593 20 30 EHEDLO CC(C)C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CC1 ZINC000917096974 1122497621 /nfs/dbraw/zinc/49/76/21/1122497621.db2.gz OCFOKAKYCHJVFY-AWEZNQCLSA-N 1 2 327.453 3.593 20 30 EHEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)[C@H]1CCc2ccccc21 ZINC000917117993 1122512472 /nfs/dbraw/zinc/51/24/72/1122512472.db2.gz YOQOWQSUSBUBQR-FQEVSTJZSA-N 1 2 336.410 3.695 20 30 EHEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1F)[C@H]1CCc2ccccc21 ZINC000917117993 1122512477 /nfs/dbraw/zinc/51/24/77/1122512477.db2.gz YOQOWQSUSBUBQR-FQEVSTJZSA-N 1 2 336.410 3.695 20 30 EHEDLO COC(=O)c1cccc(C[NH+]2CCC(CC(F)(F)F)CC2)c1C#N ZINC000556507946 1123005671 /nfs/dbraw/zinc/00/56/71/1123005671.db2.gz PQLHYGSIONJZJQ-UHFFFAOYSA-N 1 2 340.345 3.509 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCCCC1 ZINC000499064350 1123182566 /nfs/dbraw/zinc/18/25/66/1123182566.db2.gz JITZHWWIVNUTHD-ZDUSSCGKSA-N 1 2 326.893 3.791 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCCCC1 ZINC000499064350 1123182567 /nfs/dbraw/zinc/18/25/67/1123182567.db2.gz JITZHWWIVNUTHD-ZDUSSCGKSA-N 1 2 326.893 3.791 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2scnc2Cl)C1 ZINC001137823567 1129105251 /nfs/dbraw/zinc/10/52/51/1129105251.db2.gz KSFBKQKSSOISQQ-ZDUSSCGKSA-N 1 2 333.844 3.712 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC001137823567 1129105254 /nfs/dbraw/zinc/10/52/54/1129105254.db2.gz KSFBKQKSSOISQQ-ZDUSSCGKSA-N 1 2 333.844 3.712 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCc2sccc2C1 ZINC000609323114 1123449866 /nfs/dbraw/zinc/44/98/66/1123449866.db2.gz UFTXTPUUUXBQAL-UHFFFAOYSA-N 1 2 345.855 3.660 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCc2sccc2C1 ZINC000609323114 1123449868 /nfs/dbraw/zinc/44/98/68/1123449868.db2.gz UFTXTPUUUXBQAL-UHFFFAOYSA-N 1 2 345.855 3.660 20 30 EHEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000181749686 1125026929 /nfs/dbraw/zinc/02/69/29/1125026929.db2.gz WPJRRXFHYAUBKF-NSHDSACASA-N 1 2 331.778 3.640 20 30 EHEDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2OCC#N)on1 ZINC000735308165 1131328337 /nfs/dbraw/zinc/32/83/37/1131328337.db2.gz CVQWTWBOTIIMGC-OAHLLOKOSA-N 1 2 331.803 3.876 20 30 EHEDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2OCC#N)on1 ZINC000735308165 1131328342 /nfs/dbraw/zinc/32/83/42/1131328342.db2.gz CVQWTWBOTIIMGC-OAHLLOKOSA-N 1 2 331.803 3.876 20 30 EHEDLO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000619784748 1125404291 /nfs/dbraw/zinc/40/42/91/1125404291.db2.gz OGCQQTGBBHBBOJ-LJQANCHMSA-N 1 2 343.833 3.862 20 30 EHEDLO Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2Br)nc1C ZINC000922178340 1129296234 /nfs/dbraw/zinc/29/62/34/1129296234.db2.gz OJWFVSUARDQPMU-UHFFFAOYSA-N 1 2 330.229 3.622 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922526666 1129562451 /nfs/dbraw/zinc/56/24/51/1129562451.db2.gz SYAPYFSLZCXCGS-XVSDVWIESA-N 1 2 326.371 3.539 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000428977300 1129655845 /nfs/dbraw/zinc/65/58/45/1129655845.db2.gz LFLIESUGMVGRGX-UHFFFAOYSA-N 1 2 327.378 3.549 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000428977300 1129655846 /nfs/dbraw/zinc/65/58/46/1129655846.db2.gz LFLIESUGMVGRGX-UHFFFAOYSA-N 1 2 327.378 3.549 20 30 EHEDLO N#Cc1cccc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)c1 ZINC000735972695 1131395615 /nfs/dbraw/zinc/39/56/15/1131395615.db2.gz OKFNZUDVNMQYAJ-UHFFFAOYSA-N 1 2 331.832 3.714 20 30 EHEDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173442366 1130232499 /nfs/dbraw/zinc/23/24/99/1130232499.db2.gz VHVLIGDYEQLBAC-CYBMUJFWSA-N 1 2 336.370 3.940 20 30 EHEDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173442366 1130232505 /nfs/dbraw/zinc/23/25/05/1130232505.db2.gz VHVLIGDYEQLBAC-CYBMUJFWSA-N 1 2 336.370 3.940 20 30 EHEDLO Fc1cc(F)c2c(c1)C(=NNc1cc[nH+]c3ccccc13)CCO2 ZINC000730147752 1130679110 /nfs/dbraw/zinc/67/91/10/1130679110.db2.gz JPGPLEDFJDHXTK-UHFFFAOYSA-N 1 2 325.318 3.534 20 30 EHEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1OC(C)C ZINC000730148580 1130679282 /nfs/dbraw/zinc/67/92/82/1130679282.db2.gz XQOLMWSWTNBIAM-UHFFFAOYSA-N 1 2 335.407 3.899 20 30 EHEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000731157640 1130773717 /nfs/dbraw/zinc/77/37/17/1130773717.db2.gz YEHUFZOHQNJXOE-VMPITWQZSA-N 1 2 325.349 3.943 20 30 EHEDLO COc1ccc(OC(F)F)c(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000732924615 1130971224 /nfs/dbraw/zinc/97/12/24/1130971224.db2.gz ANDWMNCTUYHVLI-UHFFFAOYSA-N 1 2 343.333 3.713 20 30 EHEDLO CC(=[NH+]Nc1ccc(F)cc1)c1c(F)cccc1N1CCOCC1 ZINC000741160126 1131582048 /nfs/dbraw/zinc/58/20/48/1131582048.db2.gz KCVCFRYWBHVZRT-UHFFFAOYSA-N 1 2 331.366 3.638 20 30 EHEDLO Cc1cccn2c(/C=C\C(=O)c3cnn(-c4ccccc4)c3)c[nH+]c12 ZINC000741467532 1131606098 /nfs/dbraw/zinc/60/60/98/1131606098.db2.gz NOOPUPZGRWDOGY-KTKRTIGZSA-N 1 2 328.375 3.725 20 30 EHEDLO COc1ccc(C(N)=[NH+]OCc2cc(Cl)ccc2Cl)cc1 ZINC000742354884 1131708453 /nfs/dbraw/zinc/70/84/53/1131708453.db2.gz QHAGRAGQZWRDQO-UHFFFAOYSA-N 1 2 325.195 3.839 20 30 EHEDLO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)cc1C#N ZINC000742369545 1131716303 /nfs/dbraw/zinc/71/63/03/1131716303.db2.gz JXLBIILHVSWTHU-OAQYLSRUSA-N 1 2 347.393 3.980 20 30 EHEDLO CC[C@](C)(C#N)[NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172531861 1131756225 /nfs/dbraw/zinc/75/62/25/1131756225.db2.gz VHDKUIHBZNORLQ-VNYTWHDVSA-N 1 2 339.483 3.599 20 30 EHEDLO C#CC[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)[C@@H]1CCc2ccccc21 ZINC000744387490 1132082426 /nfs/dbraw/zinc/08/24/26/1132082426.db2.gz BACKDWPIUMUCKI-LJQANCHMSA-N 1 2 347.393 3.998 20 30 EHEDLO C#CC[N@H+](Cc1nnc(-c2cccc(F)c2)o1)[C@@H]1CCc2ccccc21 ZINC000744387490 1132082434 /nfs/dbraw/zinc/08/24/34/1132082434.db2.gz BACKDWPIUMUCKI-LJQANCHMSA-N 1 2 347.393 3.998 20 30 EHEDLO N#Cc1cccc(C(F)(F)F)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174977763 1132511628 /nfs/dbraw/zinc/51/16/28/1132511628.db2.gz PHUQQBDCTCVLQR-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO N#Cc1c(-c2ccccc2)ccnc1NCCc1cn2ccccc2[nH+]1 ZINC001169000952 1132628468 /nfs/dbraw/zinc/62/84/68/1132628468.db2.gz WNBCOMBVLNSAQW-UHFFFAOYSA-N 1 2 339.402 3.923 20 30 EHEDLO N#Cc1sc(N2CC[NH+](C/C=C\c3ccccc3)CC2)nc1Cl ZINC000804319177 1132733529 /nfs/dbraw/zinc/73/35/29/1132733529.db2.gz KIDBBEAFEIXQCM-DAXSKMNVSA-N 1 2 344.871 3.504 20 30 EHEDLO CCCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000767614555 1133027514 /nfs/dbraw/zinc/02/75/14/1133027514.db2.gz VPVVVUZAEKVXKA-NRFANRHFSA-N 1 2 336.435 3.921 20 30 EHEDLO CCCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000767614555 1133027519 /nfs/dbraw/zinc/02/75/19/1133027519.db2.gz VPVVVUZAEKVXKA-NRFANRHFSA-N 1 2 336.435 3.921 20 30 EHEDLO CCc1nc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000769124047 1133230926 /nfs/dbraw/zinc/23/09/26/1133230926.db2.gz GCEBFJWHLJSPPK-UHFFFAOYSA-N 1 2 328.485 3.687 20 30 EHEDLO CCc1nc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000769124047 1133230933 /nfs/dbraw/zinc/23/09/33/1133230933.db2.gz GCEBFJWHLJSPPK-UHFFFAOYSA-N 1 2 328.485 3.687 20 30 EHEDLO CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1 ZINC000769607374 1133321187 /nfs/dbraw/zinc/32/11/87/1133321187.db2.gz JRMSKWBIPYECPK-KHPPLWFESA-N 1 2 348.406 3.760 20 30 EHEDLO O=C1c2ccc(Br)cc2O/C1=C/c1cccc2[nH+]ccn21 ZINC000769611294 1133321547 /nfs/dbraw/zinc/32/15/47/1133321547.db2.gz XHGIMWUVBHOHTA-NTEUORMPSA-N 1 2 341.164 3.713 20 30 EHEDLO CC(=[NH+]Nc1c(C)cccc1F)c1cccc(N2CCOCC2)c1 ZINC000769840282 1133354808 /nfs/dbraw/zinc/35/48/08/1133354808.db2.gz IRIXUDMIFUFYSO-UHFFFAOYSA-N 1 2 327.403 3.807 20 30 EHEDLO C#C[C@H](C)[N@@H+](C)Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000769960937 1133366740 /nfs/dbraw/zinc/36/67/40/1133366740.db2.gz FYXWFWYLRRJDRI-ZDUSSCGKSA-N 1 2 330.453 3.671 20 30 EHEDLO C#C[C@H](C)[N@H+](C)Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000769960937 1133366743 /nfs/dbraw/zinc/36/67/43/1133366743.db2.gz FYXWFWYLRRJDRI-ZDUSSCGKSA-N 1 2 330.453 3.671 20 30 EHEDLO COc1cccc2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)oc21 ZINC000770391781 1133422173 /nfs/dbraw/zinc/42/21/73/1133422173.db2.gz PMSJVGFEGITGLZ-HXUWFJFHSA-N 1 2 348.402 3.887 20 30 EHEDLO COc1cccc2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)oc21 ZINC000770391781 1133422175 /nfs/dbraw/zinc/42/21/75/1133422175.db2.gz PMSJVGFEGITGLZ-HXUWFJFHSA-N 1 2 348.402 3.887 20 30 EHEDLO FC(F)(F)COc1ccc(NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771101654 1133509896 /nfs/dbraw/zinc/50/98/96/1133509896.db2.gz VXXUCVWRVGUZRO-UHFFFAOYSA-N 1 2 334.301 3.721 20 30 EHEDLO CC1(C)c2ccc([N+](=O)[O-])cc2C(=O)/C1=C\c1cccc2[nH+]ccn21 ZINC000788361370 1134116617 /nfs/dbraw/zinc/11/66/17/1134116617.db2.gz AULCIUWCYBLZFT-LFIBNONCSA-N 1 2 333.347 3.800 20 30 EHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cc(C)on2)ccc1OC ZINC000788639435 1134154387 /nfs/dbraw/zinc/15/43/87/1134154387.db2.gz OELKYRBOCAGZTR-HIFRSBDPSA-N 1 2 329.400 3.523 20 30 EHEDLO C[NH+](C)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000746816773 1134274314 /nfs/dbraw/zinc/27/43/14/1134274314.db2.gz UJPGQCGRBYQSQF-WSLMLHKMSA-N 1 2 347.802 3.676 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OC3CCCC3)c2)n1 ZINC000789757842 1134327797 /nfs/dbraw/zinc/32/77/97/1134327797.db2.gz CVDYTIPDRBYQQL-UHFFFAOYSA-N 1 2 337.467 3.860 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OC3CCCC3)c2)n1 ZINC000789757842 1134327804 /nfs/dbraw/zinc/32/78/04/1134327804.db2.gz CVDYTIPDRBYQQL-UHFFFAOYSA-N 1 2 337.467 3.860 20 30 EHEDLO CC(C)c1nnc2n1CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170389447 1134763513 /nfs/dbraw/zinc/76/35/13/1134763513.db2.gz SSADIOQZUYINJS-UHFFFAOYSA-N 1 2 349.482 3.621 20 30 EHEDLO CC(C)c1nnc2n1CC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170389447 1134763519 /nfs/dbraw/zinc/76/35/19/1134763519.db2.gz SSADIOQZUYINJS-UHFFFAOYSA-N 1 2 349.482 3.621 20 30 EHEDLO COC(=O)c1cc(NN=C(C)c2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000793088985 1134848618 /nfs/dbraw/zinc/84/86/18/1134848618.db2.gz BQMKPRPATNFYRU-UHFFFAOYSA-N 1 2 348.406 3.803 20 30 EHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1 ZINC001194885770 1135334840 /nfs/dbraw/zinc/33/48/40/1135334840.db2.gz ADIDKGUPSNQZDU-UHFFFAOYSA-N 1 2 347.422 3.768 20 30 EHEDLO C[C@@H]1CCCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000775732908 1135592071 /nfs/dbraw/zinc/59/20/71/1135592071.db2.gz XQBQUNWMWPVLRB-KGLIPLIRSA-N 1 2 327.453 3.595 20 30 EHEDLO C[C@@H]1CCCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000775732908 1135592075 /nfs/dbraw/zinc/59/20/75/1135592075.db2.gz XQBQUNWMWPVLRB-KGLIPLIRSA-N 1 2 327.453 3.595 20 30 EHEDLO C[Si](C)(C)c1ccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC001196789222 1135610280 /nfs/dbraw/zinc/61/02/80/1135610280.db2.gz IHFXIOOUERYYMK-OAQYLSRUSA-N 1 2 349.554 3.684 20 30 EHEDLO C[Si](C)(C)c1ccc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC001196789222 1135610284 /nfs/dbraw/zinc/61/02/84/1135610284.db2.gz IHFXIOOUERYYMK-OAQYLSRUSA-N 1 2 349.554 3.684 20 30 EHEDLO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000775785987 1135738396 /nfs/dbraw/zinc/73/83/96/1135738396.db2.gz RBQJVGLVNGQTIF-GZBFAFLISA-N 1 2 327.453 3.593 20 30 EHEDLO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000775785987 1135738399 /nfs/dbraw/zinc/73/83/99/1135738399.db2.gz RBQJVGLVNGQTIF-GZBFAFLISA-N 1 2 327.453 3.593 20 30 EHEDLO C#Cc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000809604987 1135856206 /nfs/dbraw/zinc/85/62/06/1135856206.db2.gz WRUDKBWYLPMHMQ-LJQANCHMSA-N 1 2 335.838 3.934 20 30 EHEDLO C#CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)Cc1ccccc1 ZINC000809717304 1135876919 /nfs/dbraw/zinc/87/69/19/1135876919.db2.gz ZSPKTIAPNVXAIV-UHFFFAOYSA-N 1 2 338.480 3.858 20 30 EHEDLO C#CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)Cc1ccccc1 ZINC000809717304 1135876922 /nfs/dbraw/zinc/87/69/22/1135876922.db2.gz ZSPKTIAPNVXAIV-UHFFFAOYSA-N 1 2 338.480 3.858 20 30 EHEDLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000810030464 1135916723 /nfs/dbraw/zinc/91/67/23/1135916723.db2.gz WVWWVEAGZMYGNQ-DLBZAZTESA-N 1 2 334.847 3.632 20 30 EHEDLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000810030464 1135916726 /nfs/dbraw/zinc/91/67/26/1135916726.db2.gz WVWWVEAGZMYGNQ-DLBZAZTESA-N 1 2 334.847 3.632 20 30 EHEDLO C=CCCN(OCc1ccccc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000810230250 1135942106 /nfs/dbraw/zinc/94/21/06/1135942106.db2.gz SLENGZBQARUKQL-UHFFFAOYSA-N 1 2 336.395 3.876 20 30 EHEDLO C=C(Br)C[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1 ZINC000747681033 1136053490 /nfs/dbraw/zinc/05/34/90/1136053490.db2.gz FWJQRVHOOBUDGB-CQSZACIVSA-N 1 2 335.289 3.811 20 30 EHEDLO N#Cc1csc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)n1 ZINC000811505718 1136101030 /nfs/dbraw/zinc/10/10/30/1136101030.db2.gz GKNCEXZWHXSZBY-IBGZPJMESA-N 1 2 349.459 3.751 20 30 EHEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)n1 ZINC000811505718 1136101033 /nfs/dbraw/zinc/10/10/33/1136101033.db2.gz GKNCEXZWHXSZBY-IBGZPJMESA-N 1 2 349.459 3.751 20 30 EHEDLO Cc1ccccc1NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001202177728 1136106044 /nfs/dbraw/zinc/10/60/44/1136106044.db2.gz YFEPAKAMDTXXQV-UHFFFAOYSA-N 1 2 326.425 3.560 20 30 EHEDLO Cc1ccccc1NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001202177728 1136106046 /nfs/dbraw/zinc/10/60/46/1136106046.db2.gz YFEPAKAMDTXXQV-UHFFFAOYSA-N 1 2 326.425 3.560 20 30 EHEDLO C=C1CCC(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC001133543788 1136280212 /nfs/dbraw/zinc/28/02/12/1136280212.db2.gz LXLGPCWLTCHVMF-IBGZPJMESA-N 1 2 344.524 3.639 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000852333250 1136450058 /nfs/dbraw/zinc/45/00/58/1136450058.db2.gz ILJNJZRTZSSLBQ-OAQYLSRUSA-N 1 2 328.419 3.687 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000852333250 1136450060 /nfs/dbraw/zinc/45/00/60/1136450060.db2.gz ILJNJZRTZSSLBQ-OAQYLSRUSA-N 1 2 328.419 3.687 20 30 EHEDLO CC1(C)CC(=[NH+]Nc2ccc(F)c([N+](=O)[O-])c2)c2cc(N)ccc2O1 ZINC000814904790 1136522619 /nfs/dbraw/zinc/52/26/19/1136522619.db2.gz YUOFVGHGYPQSJY-UHFFFAOYSA-N 1 2 344.346 3.693 20 30 EHEDLO N#CCCN(C(=O)c1cccc2[nH+]ccn21)C12CC3CC(CC(C3)C1)C2 ZINC000776910898 1136835669 /nfs/dbraw/zinc/83/56/69/1136835669.db2.gz UWQBGABIRBGDTG-UHFFFAOYSA-N 1 2 348.450 3.659 20 30 EHEDLO Clc1cc(N=NC2CCN(c3cccc[nH+]3)CC2)cc(Cl)n1 ZINC000819831208 1136963878 /nfs/dbraw/zinc/96/38/78/1136963878.db2.gz KGXGLKGFNHXVKF-UHFFFAOYSA-N 1 2 336.226 3.852 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(Cn2cccn2)c1 ZINC000820635849 1136999175 /nfs/dbraw/zinc/99/91/75/1136999175.db2.gz YLWOIGHCATZSDD-UHFFFAOYSA-N 1 2 346.434 3.731 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCCCn1cnc2ccccc21 ZINC000820609579 1136999796 /nfs/dbraw/zinc/99/97/96/1136999796.db2.gz IDOZPYKLIYZJOG-UHFFFAOYSA-N 1 2 334.423 3.726 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(OCCC)nc1 ZINC000820658260 1137000197 /nfs/dbraw/zinc/00/01/97/1137000197.db2.gz LPTQJIJTTMOZOD-UHFFFAOYSA-N 1 2 325.412 3.670 20 30 EHEDLO CC(C)CCN(CCC#N)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136680856 1137089856 /nfs/dbraw/zinc/08/98/56/1137089856.db2.gz WFYKRTZFNUUGPB-HDICACEKSA-N 1 2 342.487 3.841 20 30 EHEDLO C#CC[N@@H+](Cc1cc(C(F)(F)F)nn1C)[C@@H]1CCc2ccccc21 ZINC000824474818 1137139079 /nfs/dbraw/zinc/13/90/79/1137139079.db2.gz UFUAXBBFEYGHAQ-MRXNPFEDSA-N 1 2 333.357 3.562 20 30 EHEDLO C#CC[N@H+](Cc1cc(C(F)(F)F)nn1C)[C@@H]1CCc2ccccc21 ZINC000824474818 1137139080 /nfs/dbraw/zinc/13/90/80/1137139080.db2.gz UFUAXBBFEYGHAQ-MRXNPFEDSA-N 1 2 333.357 3.562 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000862542148 1137149198 /nfs/dbraw/zinc/14/91/98/1137149198.db2.gz GRWHMERGYZGQJU-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000862542148 1137149200 /nfs/dbraw/zinc/14/92/00/1137149200.db2.gz GRWHMERGYZGQJU-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO C=CC[C@H]([NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1)C(=O)OC ZINC001171066925 1137153501 /nfs/dbraw/zinc/15/35/01/1137153501.db2.gz RSZDHYWWHCGHFG-DOMZBBRYSA-N 1 2 328.239 3.558 20 30 EHEDLO CN(C)c1ccc(C=[NH+]Nc2ccncc2Cl)c(C(F)(F)F)c1 ZINC000794515950 1137185521 /nfs/dbraw/zinc/18/55/21/1137185521.db2.gz DSIHLHHCUQDQMG-UHFFFAOYSA-N 1 2 342.752 3.688 20 30 EHEDLO Cn1cc[nH+]c1NN=C1CC(C)(C)c2ccc(Br)cc21 ZINC000794540696 1137192582 /nfs/dbraw/zinc/19/25/82/1137192582.db2.gz ATZHBLGJAPTKQS-UHFFFAOYSA-N 1 2 333.233 3.680 20 30 EHEDLO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1C#N ZINC001143731506 1137194659 /nfs/dbraw/zinc/19/46/59/1137194659.db2.gz WIGYVAFDBCXKRH-UHFFFAOYSA-N 1 2 328.843 3.985 20 30 EHEDLO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1C#N ZINC001143731506 1137194660 /nfs/dbraw/zinc/19/46/60/1137194660.db2.gz WIGYVAFDBCXKRH-UHFFFAOYSA-N 1 2 328.843 3.985 20 30 EHEDLO C=C[C@@H](C)ONC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000844647517 1137244133 /nfs/dbraw/zinc/24/41/33/1137244133.db2.gz TUKMTAAOCIGRDA-CYBMUJFWSA-N 1 2 326.400 3.514 20 30 EHEDLO C=C(Cc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001144389405 1137280758 /nfs/dbraw/zinc/28/07/58/1137280758.db2.gz LXCYGRGVSIFNOV-MDWZMJQESA-N 1 2 346.474 3.643 20 30 EHEDLO C=CC[C@@H](CCc1ccccc1)OC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845552387 1137299117 /nfs/dbraw/zinc/29/91/17/1137299117.db2.gz FBXFOVUJQKBEJU-IBGZPJMESA-N 1 2 338.451 3.883 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@H](c1ccccc1F)[C@H](C)O ZINC000846013068 1137325898 /nfs/dbraw/zinc/32/58/98/1137325898.db2.gz JMXXGQQPOUACEA-DJJJIMSYSA-N 1 2 347.817 3.703 20 30 EHEDLO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866355117 1137348993 /nfs/dbraw/zinc/34/89/93/1137348993.db2.gz UIHIXTNYLVMWPX-GTNSWQLSSA-N 1 2 326.371 3.750 20 30 EHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1nc(Br)ccc1F ZINC000794971800 1137381957 /nfs/dbraw/zinc/38/19/57/1137381957.db2.gz QBKIEFZJMWIEMD-XQRVVYSFSA-N 1 2 346.159 3.527 20 30 EHEDLO CC(C)[C@@](C)(C#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171832652 1137515112 /nfs/dbraw/zinc/51/51/12/1137515112.db2.gz XOBCFJPGMCVKQG-MAUKXSAKSA-N 1 2 335.492 3.836 20 30 EHEDLO CCCC[N@H+](CC#N)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172102099 1137536640 /nfs/dbraw/zinc/53/66/40/1137536640.db2.gz KRWJUXUUYABGDY-FVQHAEBGSA-N 1 2 335.492 3.933 20 30 EHEDLO CCCC[N@@H+](CC#N)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172102099 1137536641 /nfs/dbraw/zinc/53/66/41/1137536641.db2.gz KRWJUXUUYABGDY-FVQHAEBGSA-N 1 2 335.492 3.933 20 30 EHEDLO CC(C)C[C@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC001172294718 1137548782 /nfs/dbraw/zinc/54/87/82/1137548782.db2.gz KQVXLDSRPFADSJ-YJBOKZPZSA-N 1 2 330.472 3.835 20 30 EHEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)cnc2Cl)cc1 ZINC000876511404 1137654408 /nfs/dbraw/zinc/65/44/08/1137654408.db2.gz HNEFPSUVADNBIM-QGZVFWFLSA-N 1 2 327.815 3.952 20 30 EHEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)cnc2Cl)cc1 ZINC000876511404 1137654409 /nfs/dbraw/zinc/65/44/09/1137654409.db2.gz HNEFPSUVADNBIM-QGZVFWFLSA-N 1 2 327.815 3.952 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000876559141 1137655546 /nfs/dbraw/zinc/65/55/46/1137655546.db2.gz URJAGLOTSGJSPV-GOSISDBHSA-N 1 2 341.842 3.552 20 30 EHEDLO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000876643724 1137658015 /nfs/dbraw/zinc/65/80/15/1137658015.db2.gz LKBNMGSGNAQTRN-BBRMVZONSA-N 1 2 337.261 3.762 20 30 EHEDLO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccccc2Br)C1 ZINC000876643724 1137658016 /nfs/dbraw/zinc/65/80/16/1137658016.db2.gz LKBNMGSGNAQTRN-BBRMVZONSA-N 1 2 337.261 3.762 20 30 EHEDLO Cc1cccc(NC2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)c1 ZINC000876760452 1137660546 /nfs/dbraw/zinc/66/05/46/1137660546.db2.gz VSRCDVCQUZMAQF-UHFFFAOYSA-N 1 2 340.858 3.992 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1)C(C)(C)C ZINC000877535083 1137680234 /nfs/dbraw/zinc/68/02/34/1137680234.db2.gz UBKIOJZCBBPLFY-KRWDZBQOSA-N 1 2 341.480 3.965 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3CC[C@H](c4ccccc4)O3)CCO2)c1 ZINC000878322671 1137711043 /nfs/dbraw/zinc/71/10/43/1137711043.db2.gz MKDCTHMFGYEDTC-VSKRKVRLSA-N 1 2 348.446 3.852 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CC[C@H](c4ccccc4)O3)CCO2)c1 ZINC000878322671 1137711044 /nfs/dbraw/zinc/71/10/44/1137711044.db2.gz MKDCTHMFGYEDTC-VSKRKVRLSA-N 1 2 348.446 3.852 20 30 EHEDLO N#Cc1cc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)ccc1C1CC1 ZINC000882308532 1137825197 /nfs/dbraw/zinc/82/51/97/1137825197.db2.gz BYWYCPLCJGRQDZ-OAHLLOKOSA-N 1 2 348.328 3.764 20 30 EHEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](CCC#N)CCC(C)C ZINC000282892633 1137912885 /nfs/dbraw/zinc/91/28/85/1137912885.db2.gz XZTOSXPAGHATTE-UHFFFAOYSA-N 1 2 325.460 3.646 20 30 EHEDLO Cc1nn(-c2ccccn2)c(C)c1C[N@H+](CCC#N)CCC(C)C ZINC000282892633 1137912886 /nfs/dbraw/zinc/91/28/86/1137912886.db2.gz XZTOSXPAGHATTE-UHFFFAOYSA-N 1 2 325.460 3.646 20 30 EHEDLO N#C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1cccc(Cl)c1Cl ZINC000331798994 1137921248 /nfs/dbraw/zinc/92/12/48/1137921248.db2.gz QCFRHPCYCNZNPK-GXFFZTMASA-N 1 2 349.221 3.517 20 30 EHEDLO C[C@H](c1ccco1)[N@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000086234784 1138186232 /nfs/dbraw/zinc/18/62/32/1138186232.db2.gz RHBXDEQSLKNGQT-MRXNPFEDSA-N 1 2 337.423 3.752 20 30 EHEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000086234784 1138186233 /nfs/dbraw/zinc/18/62/33/1138186233.db2.gz RHBXDEQSLKNGQT-MRXNPFEDSA-N 1 2 337.423 3.752 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000093091537 1138234069 /nfs/dbraw/zinc/23/40/69/1138234069.db2.gz XYTNKXQJWNYJRA-UHFFFAOYSA-N 1 2 326.419 3.754 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000093091537 1138234070 /nfs/dbraw/zinc/23/40/70/1138234070.db2.gz XYTNKXQJWNYJRA-UHFFFAOYSA-N 1 2 326.419 3.754 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000264233939 1138450048 /nfs/dbraw/zinc/45/00/48/1138450048.db2.gz LSTSUZXDQJWAQB-INIZCTEOSA-N 1 2 331.460 3.510 20 30 EHEDLO C=C1CC[NH+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000264467818 1138526042 /nfs/dbraw/zinc/52/60/42/1138526042.db2.gz MNLLIOARBBQHJJ-UHFFFAOYSA-N 1 2 330.453 3.979 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000337868886 1138686320 /nfs/dbraw/zinc/68/63/20/1138686320.db2.gz MHCNLPLYVWOMRK-UHFFFAOYSA-N 1 2 348.450 3.572 20 30 EHEDLO C=CCc1cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc(OC)c1O ZINC000268197697 1140901098 /nfs/dbraw/zinc/90/10/98/1140901098.db2.gz MAFNDJDNQYYIHC-UHFFFAOYSA-N 1 2 347.484 3.568 20 30 EHEDLO C=CCN(C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC1 ZINC000271465913 1141374979 /nfs/dbraw/zinc/37/49/79/1141374979.db2.gz QNFDIFKXSTVWQM-UHFFFAOYSA-N 1 2 334.423 3.784 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1c(CC)nn(C)c1CC ZINC000348880416 1141603148 /nfs/dbraw/zinc/60/31/48/1141603148.db2.gz UYTQSTGGHLJLOP-UHFFFAOYSA-N 1 2 343.519 3.901 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1c(CC)nn(C)c1CC ZINC000348880416 1141603150 /nfs/dbraw/zinc/60/31/50/1141603150.db2.gz UYTQSTGGHLJLOP-UHFFFAOYSA-N 1 2 343.519 3.901 20 30 EHEDLO CC(C)Oc1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000471152751 1014966917 /nfs/dbraw/zinc/96/69/17/1014966917.db2.gz VZSVCRYTVABMOC-OAQYLSRUSA-N 1 2 349.478 3.856 20 30 EHEDLO CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000430283414 1015779447 /nfs/dbraw/zinc/77/94/47/1015779447.db2.gz IEYHNKAEMQYPSN-CYBMUJFWSA-N 1 2 343.496 3.725 20 30 EHEDLO CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000430283414 1015779452 /nfs/dbraw/zinc/77/94/52/1015779452.db2.gz IEYHNKAEMQYPSN-CYBMUJFWSA-N 1 2 343.496 3.725 20 30 EHEDLO C#Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2cc[nH+]c2)c1 ZINC000728248309 1017023479 /nfs/dbraw/zinc/02/34/79/1017023479.db2.gz QJQBPTICZITVRF-UHFFFAOYSA-N 1 2 343.430 3.878 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ncccc3Cl)CC2)cc1 ZINC000528372044 1032174262 /nfs/dbraw/zinc/17/42/62/1032174262.db2.gz MZGLUVQEKXPKNQ-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2NCCCCNc1cccc[nH+]1 ZINC000610275852 1032366347 /nfs/dbraw/zinc/36/63/47/1032366347.db2.gz QZCGYQSPGNOKGV-UHFFFAOYSA-N 1 2 331.423 3.536 20 30 EHEDLO CCCC(=O)Nc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602003337 1032589696 /nfs/dbraw/zinc/58/96/96/1032589696.db2.gz IGTCVRVZDPPWFK-UHFFFAOYSA-N 1 2 325.387 3.726 20 30 EHEDLO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602007039 1032592193 /nfs/dbraw/zinc/59/21/93/1032592193.db2.gz LXTYIHQPKKGKSW-CQSZACIVSA-N 1 2 339.414 3.972 20 30 EHEDLO CCN(C(=O)Cc1cn2cccc(C)c2[nH+]1)[C@H](C)c1ccc(C#N)cc1 ZINC000608846992 1017338624 /nfs/dbraw/zinc/33/86/24/1017338624.db2.gz RMZGPRXONXOIBL-MRXNPFEDSA-N 1 2 346.434 3.667 20 30 EHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(I)cc1Cl ZINC000310042523 1017384277 /nfs/dbraw/zinc/38/42/77/1017384277.db2.gz ZMCRSYGNRDKPLY-LLVKDONJSA-N 1 2 348.615 3.726 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1cccc(C#N)c1 ZINC000340424607 1017733083 /nfs/dbraw/zinc/73/30/83/1017733083.db2.gz JIUNPTXTQUASSV-GHMZBOCLSA-N 1 2 331.217 3.523 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1cccc(C#N)c1 ZINC000340424609 1017733284 /nfs/dbraw/zinc/73/32/84/1017733284.db2.gz JIUNPTXTQUASSV-QWRGUYRKSA-N 1 2 331.217 3.523 20 30 EHEDLO CC(C)c1ncc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)s1 ZINC000092596762 1018293222 /nfs/dbraw/zinc/29/32/22/1018293222.db2.gz LTHCTONYVWEZBD-UHFFFAOYSA-N 1 2 344.459 3.599 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(OC)cc1 ZINC000614352856 1018754600 /nfs/dbraw/zinc/75/46/00/1018754600.db2.gz NVSKNSHUJRMXNK-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(OC)cc1 ZINC000614352856 1018754614 /nfs/dbraw/zinc/75/46/14/1018754614.db2.gz NVSKNSHUJRMXNK-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO CC(C)(C#N)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000340677513 1019176848 /nfs/dbraw/zinc/17/68/48/1019176848.db2.gz ADQVSRYCPUCOHG-UHFFFAOYSA-N 1 2 344.418 3.985 20 30 EHEDLO COc1cc(OC)c(C(=O)/C=C\c2cccc3[nH+]ccn32)cc1Cl ZINC000255238749 1020286278 /nfs/dbraw/zinc/28/62/78/1020286278.db2.gz XEKRASGYGFMDGQ-SREVYHEPSA-N 1 2 342.782 3.901 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276366527 1021109623 /nfs/dbraw/zinc/10/96/23/1021109623.db2.gz BVINJGGMAXBPEG-HNNXBMFYSA-N 1 2 326.444 3.945 20 30 EHEDLO Cc1cccn2c(/C=C\C(=O)c3cnn(Cc4ccccc4)c3)c[nH+]c12 ZINC000255343024 1021312717 /nfs/dbraw/zinc/31/27/17/1021312717.db2.gz SIQKCXSZKXTDOX-KTKRTIGZSA-N 1 2 342.402 3.784 20 30 EHEDLO C=C[C@](C)(CCOC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000188424444 1022230277 /nfs/dbraw/zinc/23/02/77/1022230277.db2.gz OCBYHRNYWGWNHN-QGZVFWFLSA-N 1 2 333.819 3.693 20 30 EHEDLO COc1ccccc1C[N@@H+](Cc1csc(C#N)c1)C[C@@H]1CCCO1 ZINC000891692232 1022355159 /nfs/dbraw/zinc/35/51/59/1022355159.db2.gz LDGXGSAEFDTSCQ-KRWDZBQOSA-N 1 2 342.464 3.810 20 30 EHEDLO COc1ccccc1C[N@H+](Cc1csc(C#N)c1)C[C@@H]1CCCO1 ZINC000891692232 1022355176 /nfs/dbraw/zinc/35/51/76/1022355176.db2.gz LDGXGSAEFDTSCQ-KRWDZBQOSA-N 1 2 342.464 3.810 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC(=O)[C@H](C)C3)n2)CC1 ZINC000328932838 1022549456 /nfs/dbraw/zinc/54/94/56/1022549456.db2.gz PIPCIOSXNXXIDY-ZIAGYGMSSA-N 1 2 349.500 3.968 20 30 EHEDLO C=CCc1cc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)cc(OC)c1O ZINC000277060407 1023728053 /nfs/dbraw/zinc/72/80/53/1023728053.db2.gz BSCKQJPPZMADFP-CHWSQXEVSA-N 1 2 344.459 3.612 20 30 EHEDLO C=CCN(Cc1ccccc1F)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342254286 1024578176 /nfs/dbraw/zinc/57/81/76/1024578176.db2.gz SOTDZIXDHBXTTI-UHFFFAOYSA-N 1 2 335.382 3.840 20 30 EHEDLO N#Cc1ccc(N[C@@H]2CCCN(c3[nH+]ccc4ccccc43)C2)nc1 ZINC000895849992 1024910761 /nfs/dbraw/zinc/91/07/61/1024910761.db2.gz CZMXTTDJMFWUPP-QGZVFWFLSA-N 1 2 329.407 3.582 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000281323281 1024924462 /nfs/dbraw/zinc/92/44/62/1024924462.db2.gz KTEHQFYMNOKZKW-SOLBZPMBSA-N 1 2 345.487 3.772 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000281323281 1024924472 /nfs/dbraw/zinc/92/44/72/1024924472.db2.gz KTEHQFYMNOKZKW-SOLBZPMBSA-N 1 2 345.487 3.772 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000281393743 1024995212 /nfs/dbraw/zinc/99/52/12/1024995212.db2.gz OJHMGSZPRGISEZ-DOTOQJQBSA-N 1 2 331.460 3.556 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1cccs1 ZINC000060942788 1033279222 /nfs/dbraw/zinc/27/92/22/1033279222.db2.gz WDSINEWHXFJUDK-UHFFFAOYSA-N 1 2 332.444 3.534 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)Cc1cccs1 ZINC000060942788 1033279228 /nfs/dbraw/zinc/27/92/28/1033279228.db2.gz WDSINEWHXFJUDK-UHFFFAOYSA-N 1 2 332.444 3.534 20 30 EHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436147525 1025417548 /nfs/dbraw/zinc/41/75/48/1025417548.db2.gz DQZBRNWFZVQXQO-SECBINFHSA-N 1 2 348.615 3.679 20 30 EHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436147525 1025417554 /nfs/dbraw/zinc/41/75/54/1025417554.db2.gz DQZBRNWFZVQXQO-SECBINFHSA-N 1 2 348.615 3.679 20 30 EHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@H](C#N)C3)c2)c1 ZINC000896506593 1025507923 /nfs/dbraw/zinc/50/79/23/1025507923.db2.gz WIJYEGBJLBILBU-HXUWFJFHSA-N 1 2 331.419 3.873 20 30 EHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](C#N)C3)c2)c1 ZINC000896506593 1025507938 /nfs/dbraw/zinc/50/79/38/1025507938.db2.gz WIJYEGBJLBILBU-HXUWFJFHSA-N 1 2 331.419 3.873 20 30 EHEDLO N#CCC[C@H](C#N)C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425519113 1025596331 /nfs/dbraw/zinc/59/63/31/1025596331.db2.gz WUHOQNWEILQPOG-CQSZACIVSA-N 1 2 328.485 3.645 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000329430050 1025841737 /nfs/dbraw/zinc/84/17/37/1025841737.db2.gz IBAWCYQSPAMGOI-CZUORRHYSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000329430050 1025841764 /nfs/dbraw/zinc/84/17/64/1025841764.db2.gz IBAWCYQSPAMGOI-CZUORRHYSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000329430050 1025841787 /nfs/dbraw/zinc/84/17/87/1025841787.db2.gz IBAWCYQSPAMGOI-CZUORRHYSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000329430050 1025841808 /nfs/dbraw/zinc/84/18/08/1025841808.db2.gz IBAWCYQSPAMGOI-CZUORRHYSA-N 1 2 341.459 3.532 20 30 EHEDLO C[C@H](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)n1cc[nH+]c1 ZINC000522006587 1025880463 /nfs/dbraw/zinc/88/04/63/1025880463.db2.gz SPDJNNSZQLZNQW-KGLIPLIRSA-N 1 2 328.441 3.867 20 30 EHEDLO Cc1cc(C)nc([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000329573267 1026024026 /nfs/dbraw/zinc/02/40/26/1026024026.db2.gz AIRMNZXUGSCEDH-AWEZNQCLSA-N 1 2 341.459 3.533 20 30 EHEDLO CC[C@H](CC#N)[NH2+]Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000563367949 1026377695 /nfs/dbraw/zinc/37/76/95/1026377695.db2.gz YAYDPEGKIKQGOL-QGZVFWFLSA-N 1 2 342.464 3.610 20 30 EHEDLO CC[C@@H]([NH2+][C@H]1CCOc2cc(OC)ccc21)c1cccc(C#N)c1O ZINC000925142640 1026559358 /nfs/dbraw/zinc/55/93/58/1026559358.db2.gz GSFZXEKYLHPFJQ-MSOLQXFVSA-N 1 2 338.407 3.837 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000119936223 1026674774 /nfs/dbraw/zinc/67/47/74/1026674774.db2.gz MTKZFJJCLZAUIO-UHFFFAOYSA-N 1 2 348.424 3.862 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000119936223 1026674784 /nfs/dbraw/zinc/67/47/84/1026674784.db2.gz MTKZFJJCLZAUIO-UHFFFAOYSA-N 1 2 348.424 3.862 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000531617339 1027120318 /nfs/dbraw/zinc/12/03/18/1027120318.db2.gz XZUKMMSNKVKHRO-CQSZACIVSA-N 1 2 332.419 3.641 20 30 EHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000531617339 1027120335 /nfs/dbraw/zinc/12/03/35/1027120335.db2.gz XZUKMMSNKVKHRO-CQSZACIVSA-N 1 2 332.419 3.641 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948461 1027914395 /nfs/dbraw/zinc/91/43/95/1027914395.db2.gz NZGIRGAXCQMLNO-QWHCGFSZSA-N 1 2 339.361 3.550 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948461 1027914402 /nfs/dbraw/zinc/91/44/02/1027914402.db2.gz NZGIRGAXCQMLNO-QWHCGFSZSA-N 1 2 339.361 3.550 20 30 EHEDLO COc1cccc(C[N@@H+](Cc2ccccc2C#N)C[C@@H]2CCCO2)c1 ZINC000053227848 1028165681 /nfs/dbraw/zinc/16/56/81/1028165681.db2.gz HTBSMCQMMCJZSH-NRFANRHFSA-N 1 2 336.435 3.748 20 30 EHEDLO COc1cccc(C[N@H+](Cc2ccccc2C#N)C[C@@H]2CCCO2)c1 ZINC000053227848 1028165690 /nfs/dbraw/zinc/16/56/90/1028165690.db2.gz HTBSMCQMMCJZSH-NRFANRHFSA-N 1 2 336.435 3.748 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccs1 ZINC000060942709 1028423189 /nfs/dbraw/zinc/42/31/89/1028423189.db2.gz CWXSTMFFKQHBSE-UHFFFAOYSA-N 1 2 339.464 3.683 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cccs1 ZINC000060942709 1028423200 /nfs/dbraw/zinc/42/32/00/1028423200.db2.gz CWXSTMFFKQHBSE-UHFFFAOYSA-N 1 2 339.464 3.683 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ncc(Br)s1 ZINC000421878982 1028884004 /nfs/dbraw/zinc/88/40/04/1028884004.db2.gz MSICAHCCIWBBHU-SSDOTTSWSA-N 1 2 328.260 3.690 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1cccs1 ZINC000076650686 1029022377 /nfs/dbraw/zinc/02/23/77/1029022377.db2.gz QVLYWCKTLWSNJW-ZDUSSCGKSA-N 1 2 346.418 3.537 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1cccs1 ZINC000076650686 1029022390 /nfs/dbraw/zinc/02/23/90/1029022390.db2.gz QVLYWCKTLWSNJW-ZDUSSCGKSA-N 1 2 346.418 3.537 20 30 EHEDLO N#Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)s1 ZINC000611276622 1029051083 /nfs/dbraw/zinc/05/10/83/1029051083.db2.gz NGCLJCXISBJMHT-AOOOYVTPSA-N 1 2 328.281 3.792 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)s1 ZINC000611276622 1029051099 /nfs/dbraw/zinc/05/10/99/1029051099.db2.gz NGCLJCXISBJMHT-AOOOYVTPSA-N 1 2 328.281 3.792 20 30 EHEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1c(F)cccc1F ZINC000271837866 1029194210 /nfs/dbraw/zinc/19/42/10/1029194210.db2.gz YCLLJCVJUUVIER-AWEZNQCLSA-N 1 2 343.377 3.562 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000245790423 1029301623 /nfs/dbraw/zinc/30/16/23/1029301623.db2.gz WBOYOEWLJQTNCZ-KBXCAEBGSA-N 1 2 328.437 3.612 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000245790423 1029301634 /nfs/dbraw/zinc/30/16/34/1029301634.db2.gz WBOYOEWLJQTNCZ-KBXCAEBGSA-N 1 2 328.437 3.612 20 30 EHEDLO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272604455 1029530607 /nfs/dbraw/zinc/53/06/07/1029530607.db2.gz RGKOMXGMEDCZTA-OAHLLOKOSA-N 1 2 339.439 3.578 20 30 EHEDLO COc1ccccc1-c1nc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000272615200 1029534762 /nfs/dbraw/zinc/53/47/62/1029534762.db2.gz SXLBNSWUULDCOY-UHFFFAOYSA-N 1 2 327.453 3.944 20 30 EHEDLO CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1cccs1 ZINC000272626860 1029540519 /nfs/dbraw/zinc/54/05/19/1029540519.db2.gz VSVDJMLQJJXZEV-MRXNPFEDSA-N 1 2 333.501 3.577 20 30 EHEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC#N)CC2)c(Cl)c1 ZINC000583438381 1029832616 /nfs/dbraw/zinc/83/26/16/1029832616.db2.gz HSGKTEBQRUNNNK-CQSZACIVSA-N 1 2 333.863 3.991 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1c(F)cccc1F ZINC000340443232 1030370868 /nfs/dbraw/zinc/37/08/68/1030370868.db2.gz FOUOTJMFUXRVGB-NEPJUHHUSA-N 1 2 329.350 3.514 20 30 EHEDLO C[NH+](C)Cc1cccc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000453794072 1030518019 /nfs/dbraw/zinc/51/80/19/1030518019.db2.gz POPCSBUURBXTGJ-OAHLLOKOSA-N 1 2 347.340 3.652 20 30 EHEDLO C[NH+](C)Cc1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000453794072 1030518025 /nfs/dbraw/zinc/51/80/25/1030518025.db2.gz POPCSBUURBXTGJ-OAHLLOKOSA-N 1 2 347.340 3.652 20 30 EHEDLO C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000049974343 1030629855 /nfs/dbraw/zinc/62/98/55/1030629855.db2.gz OFQQBJGVQHHZQX-FOIQADDNSA-N 1 2 345.402 3.857 20 30 EHEDLO C=C(C)CN1C(=O)/C(=C/c2cc(-n3cc[nH+]c3)cs2)SC1=S ZINC000783698818 1031323916 /nfs/dbraw/zinc/32/39/16/1031323916.db2.gz OSBQDFZPXVVWIV-MLPAPPSSSA-N 1 2 347.490 3.711 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1F ZINC000484090834 1031449116 /nfs/dbraw/zinc/44/91/16/1031449116.db2.gz FQRTWHRGRQUOFY-UHFFFAOYSA-N 1 2 346.409 3.568 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1C ZINC000177602239 1031577720 /nfs/dbraw/zinc/57/77/20/1031577720.db2.gz RHXUVIOOKPAVRF-HNNXBMFYSA-N 1 2 326.440 3.872 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1C ZINC000177602239 1031577727 /nfs/dbraw/zinc/57/77/27/1031577727.db2.gz RHXUVIOOKPAVRF-HNNXBMFYSA-N 1 2 326.440 3.872 20 30 EHEDLO CC(C)(C)OC(=O)N=c1[nH]c(C[NH2+]CC#Cc2ccccc2)cs1 ZINC000898104123 1033353052 /nfs/dbraw/zinc/35/30/52/1033353052.db2.gz ZRKGAVSZLPFPGC-UHFFFAOYSA-N 1 2 343.452 3.631 20 30 EHEDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000594497875 1033400365 /nfs/dbraw/zinc/40/03/65/1033400365.db2.gz KIMPPXHOYVABIQ-UHFFFAOYSA-N 1 2 328.485 3.927 20 30 EHEDLO CC(C)(C#N)C[C@H](O)CNc1ccc2c(c1)[nH+]cn2-c1ccccc1 ZINC000598726206 1033418341 /nfs/dbraw/zinc/41/83/41/1033418341.db2.gz PMGHAZRTQAKEKQ-KRWDZBQOSA-N 1 2 334.423 3.738 20 30 EHEDLO C=CC[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccncc2)C(=O)OC(C)(C)C)C1 ZINC000594615764 1033480632 /nfs/dbraw/zinc/48/06/32/1033480632.db2.gz QEVNBXMUPZMVLM-BPQIPLTHSA-N 1 2 330.472 3.669 20 30 EHEDLO CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)c1cc(Cl)ccc1C#N ZINC000598812113 1033481210 /nfs/dbraw/zinc/48/12/10/1033481210.db2.gz VQTCEITWEHFZNG-CYBMUJFWSA-N 1 2 330.819 3.802 20 30 EHEDLO Cn1cc(C[NH2+]CC(F)(F)C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000595001700 1033627779 /nfs/dbraw/zinc/62/77/79/1033627779.db2.gz VRCHRHHITCTVNZ-UHFFFAOYSA-N 1 2 332.398 3.730 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl ZINC000063754458 1033665855 /nfs/dbraw/zinc/66/58/55/1033665855.db2.gz TXSTXIYMYXTBCW-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl ZINC000063754458 1033665869 /nfs/dbraw/zinc/66/58/69/1033665869.db2.gz TXSTXIYMYXTBCW-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)[C@H](C#N)c1ccccc1 ZINC000595333573 1033732951 /nfs/dbraw/zinc/73/29/51/1033732951.db2.gz KMTJCOCOOQTFJP-HXUWFJFHSA-N 1 2 334.467 3.885 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595673957 1033943860 /nfs/dbraw/zinc/94/38/60/1033943860.db2.gz GXSUTYSZALJWPP-HHXXYDBFSA-N 1 2 343.471 3.640 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595673957 1033943872 /nfs/dbraw/zinc/94/38/72/1033943872.db2.gz GXSUTYSZALJWPP-HHXXYDBFSA-N 1 2 343.471 3.640 20 30 EHEDLO C=CCCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000117546326 1033979455 /nfs/dbraw/zinc/97/94/55/1033979455.db2.gz XBTZFOIOHWUCFQ-UHFFFAOYSA-N 1 2 342.512 3.981 20 30 EHEDLO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc(F)c(Br)cc1F ZINC000599542554 1034001302 /nfs/dbraw/zinc/00/13/02/1034001302.db2.gz WAZOFQZZDIGWCT-UWVGGRQHSA-N 1 2 342.187 3.821 20 30 EHEDLO COC[C@@H](C)[N@H+](Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000599683717 1034112074 /nfs/dbraw/zinc/11/20/74/1034112074.db2.gz UOVZODBAQBCURR-CXAGYDPISA-N 1 2 327.453 3.539 20 30 EHEDLO COC[C@@H](C)[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc21 ZINC000599683717 1034112081 /nfs/dbraw/zinc/11/20/81/1034112081.db2.gz UOVZODBAQBCURR-CXAGYDPISA-N 1 2 327.453 3.539 20 30 EHEDLO N#Cc1ccc(Oc2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)cc1 ZINC000604528635 1034413684 /nfs/dbraw/zinc/41/36/84/1034413684.db2.gz KLDAQXFYPQWGHE-UHFFFAOYSA-N 1 2 346.390 3.966 20 30 EHEDLO N#CC1(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCCC1 ZINC000596893890 1034429847 /nfs/dbraw/zinc/42/98/47/1034429847.db2.gz JEWWAIVZDMEEPI-UHFFFAOYSA-N 1 2 346.500 3.932 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1C#N ZINC000534490102 1034614717 /nfs/dbraw/zinc/61/47/17/1034614717.db2.gz VPNFGXXRRIMZJG-LJQANCHMSA-N 1 2 338.382 3.821 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1C#N ZINC000534490102 1034614721 /nfs/dbraw/zinc/61/47/21/1034614721.db2.gz VPNFGXXRRIMZJG-LJQANCHMSA-N 1 2 338.382 3.821 20 30 EHEDLO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@](C)(C(F)F)O1 ZINC000597258188 1034631989 /nfs/dbraw/zinc/63/19/89/1034631989.db2.gz YNPBLLHTCXIJAN-KBXCAEBGSA-N 1 2 338.398 3.614 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@](C)(C(F)F)O1 ZINC000597258188 1034631999 /nfs/dbraw/zinc/63/19/99/1034631999.db2.gz YNPBLLHTCXIJAN-KBXCAEBGSA-N 1 2 338.398 3.614 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000171890600 1034705775 /nfs/dbraw/zinc/70/57/75/1034705775.db2.gz WHSOBQZYUHRLFG-CQSZACIVSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000171890600 1034705789 /nfs/dbraw/zinc/70/57/89/1034705789.db2.gz WHSOBQZYUHRLFG-CQSZACIVSA-N 1 2 331.489 3.597 20 30 EHEDLO Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000343822462 1034901644 /nfs/dbraw/zinc/90/16/44/1034901644.db2.gz JBVWTBDUFFQLRG-UHFFFAOYSA-N 1 2 329.359 3.728 20 30 EHEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ccc(-c2ccccc2)cc1 ZINC000414127054 1035654195 /nfs/dbraw/zinc/65/41/95/1035654195.db2.gz FTGQMISIWRYZKI-GOSISDBHSA-N 1 2 326.465 3.652 20 30 EHEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ccc(-c2ccccc2)cc1 ZINC000414127054 1035654204 /nfs/dbraw/zinc/65/42/04/1035654204.db2.gz FTGQMISIWRYZKI-GOSISDBHSA-N 1 2 326.465 3.652 20 30 EHEDLO CC[NH+](CC)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccsc1 ZINC000032074846 1036099821 /nfs/dbraw/zinc/09/98/21/1036099821.db2.gz LOHCYDAPTCUBMX-HKJBKDEOSA-N 1 2 347.440 3.864 20 30 EHEDLO O=C1c2ccc(Br)cc2C/C1=C/c1c[nH+]c2ccccn12 ZINC000760230825 1036159417 /nfs/dbraw/zinc/15/94/17/1036159417.db2.gz XUCCKKWCSXONGF-XFXZXTDPSA-N 1 2 339.192 3.919 20 30 EHEDLO C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000170954810 1036568680 /nfs/dbraw/zinc/56/86/80/1036568680.db2.gz NZJLCTORDMJIJM-CYBMUJFWSA-N 1 2 339.826 3.769 20 30 EHEDLO C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000170954810 1036568689 /nfs/dbraw/zinc/56/86/89/1036568689.db2.gz NZJLCTORDMJIJM-CYBMUJFWSA-N 1 2 339.826 3.769 20 30 EHEDLO COc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1C#N ZINC000442882826 1036651907 /nfs/dbraw/zinc/65/19/07/1036651907.db2.gz GAYAAJVUWFIIPS-XOBRGWDASA-N 1 2 340.398 3.668 20 30 EHEDLO COc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1C#N ZINC000442882826 1036651914 /nfs/dbraw/zinc/65/19/14/1036651914.db2.gz GAYAAJVUWFIIPS-XOBRGWDASA-N 1 2 340.398 3.668 20 30 EHEDLO Cc1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)c(N(C)C)[nH+]1 ZINC000162187246 1036792569 /nfs/dbraw/zinc/79/25/69/1036792569.db2.gz JUDZMAOMMHDVTK-MRXNPFEDSA-N 1 2 337.427 3.623 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000590196145 1036796050 /nfs/dbraw/zinc/79/60/50/1036796050.db2.gz UZJSKGIKUGNXSE-UPJWGTAASA-N 1 2 331.485 3.556 20 30 EHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H](C)[C@H]1C ZINC000590196145 1036796066 /nfs/dbraw/zinc/79/60/66/1036796066.db2.gz UZJSKGIKUGNXSE-UPJWGTAASA-N 1 2 331.485 3.556 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCS[C@H](CC)C1 ZINC000464791876 1036804263 /nfs/dbraw/zinc/80/42/63/1036804263.db2.gz VJJBTUYEJXBNTI-CQSZACIVSA-N 1 2 336.526 3.731 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCS[C@H](CC)C1 ZINC000464791876 1036804279 /nfs/dbraw/zinc/80/42/79/1036804279.db2.gz VJJBTUYEJXBNTI-CQSZACIVSA-N 1 2 336.526 3.731 20 30 EHEDLO N#CC1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCCC1 ZINC000057383243 1036844139 /nfs/dbraw/zinc/84/41/39/1036844139.db2.gz LDWNQSDVOWOXIE-UHFFFAOYSA-N 1 2 332.473 3.542 20 30 EHEDLO CCOc1ccc([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000590956212 1037139934 /nfs/dbraw/zinc/13/99/34/1037139934.db2.gz PRMYGFKDXIQHOZ-ZDUSSCGKSA-N 1 2 325.368 3.716 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(C#N)cc1 ZINC000052825581 1037299106 /nfs/dbraw/zinc/29/91/06/1037299106.db2.gz KTLDEVKWTWJMTC-UHFFFAOYSA-N 1 2 349.434 3.612 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(C#N)cc1 ZINC000052825581 1037299125 /nfs/dbraw/zinc/29/91/25/1037299125.db2.gz KTLDEVKWTWJMTC-UHFFFAOYSA-N 1 2 349.434 3.612 20 30 EHEDLO COc1ccc([C@@H]([NH2+]C[C@H](C#N)CCC#N)c2ccc(F)cc2)cc1 ZINC000591728471 1037571553 /nfs/dbraw/zinc/57/15/53/1037571553.db2.gz IGUVACWEZUVLEF-YWZLYKJASA-N 1 2 337.398 3.957 20 30 EHEDLO COc1cc(C[NH2+]Cc2nc(C(C)C)n3ccccc23)ccc1C#N ZINC000566339136 1038747848 /nfs/dbraw/zinc/74/78/48/1038747848.db2.gz XIPSRKWOXMOXRP-UHFFFAOYSA-N 1 2 334.423 3.628 20 30 EHEDLO CC(C)Cc1nc(C#N)c(N=NC(C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000905442814 1038902418 /nfs/dbraw/zinc/90/24/18/1038902418.db2.gz QGHXUZMWVDPZMQ-UHFFFAOYSA-N 1 2 348.410 3.767 20 30 EHEDLO C=CCCCCCSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000485580727 1039269466 /nfs/dbraw/zinc/26/94/66/1039269466.db2.gz NRVUWMLAQGNFGK-UHFFFAOYSA-N 1 2 347.528 3.600 20 30 EHEDLO C=CCn1cccc1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000488576336 1039291749 /nfs/dbraw/zinc/29/17/49/1039291749.db2.gz MOHSKFMPDSHBRP-CQSZACIVSA-N 1 2 344.484 3.615 20 30 EHEDLO C=CCn1cccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000488576336 1039291760 /nfs/dbraw/zinc/29/17/60/1039291760.db2.gz MOHSKFMPDSHBRP-CQSZACIVSA-N 1 2 344.484 3.615 20 30 EHEDLO Cc1cc(C)c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)[nH+]1 ZINC000906575668 1039653960 /nfs/dbraw/zinc/65/39/60/1039653960.db2.gz IKXIGIXEAFSURG-UHFFFAOYSA-N 1 2 349.434 3.562 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccccc1 ZINC000552976478 1039681413 /nfs/dbraw/zinc/68/14/13/1039681413.db2.gz CHQGQJMOONBWQE-UHFFFAOYSA-N 1 2 337.448 3.923 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccccc1 ZINC000552976478 1039681423 /nfs/dbraw/zinc/68/14/23/1039681423.db2.gz CHQGQJMOONBWQE-UHFFFAOYSA-N 1 2 337.448 3.923 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000489514772 1040053444 /nfs/dbraw/zinc/05/34/44/1040053444.db2.gz QQEXYGGMXDXZDR-QGZVFWFLSA-N 1 2 341.480 3.865 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000489514772 1040053462 /nfs/dbraw/zinc/05/34/62/1040053462.db2.gz QQEXYGGMXDXZDR-QGZVFWFLSA-N 1 2 341.480 3.865 20 30 EHEDLO C=CCCCN(CC)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000893320328 1040233599 /nfs/dbraw/zinc/23/35/99/1040233599.db2.gz YALBQRVPMKGMIN-SFHVURJKSA-N 1 2 340.471 3.702 20 30 EHEDLO CCO[C@H](C)c1noc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433034631 1040536331 /nfs/dbraw/zinc/53/63/31/1040536331.db2.gz ZEPVBAJVPLMOIF-GDBMZVCRSA-N 1 2 328.416 3.692 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000433062566 1040588129 /nfs/dbraw/zinc/58/81/29/1040588129.db2.gz PBBANXNIBXIWKO-KRWDZBQOSA-N 1 2 337.423 3.586 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)c(C#N)c1C ZINC000433062566 1040588134 /nfs/dbraw/zinc/58/81/34/1040588134.db2.gz PBBANXNIBXIWKO-KRWDZBQOSA-N 1 2 337.423 3.586 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000433077458 1040640118 /nfs/dbraw/zinc/64/01/18/1040640118.db2.gz OJEHQKVISOCRNG-NRFANRHFSA-N 1 2 348.446 3.727 20 30 EHEDLO CC[N@H+](Cc1cn(-c2ccc(F)cc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000600106840 1040651335 /nfs/dbraw/zinc/65/13/35/1040651335.db2.gz IPJGSEWRMAZRDB-HNNXBMFYSA-N 1 2 349.413 3.861 20 30 EHEDLO CC[N@@H+](Cc1cn(-c2ccc(F)cc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000600106840 1040651351 /nfs/dbraw/zinc/65/13/51/1040651351.db2.gz IPJGSEWRMAZRDB-HNNXBMFYSA-N 1 2 349.413 3.861 20 30 EHEDLO CCOC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000600120329 1040671491 /nfs/dbraw/zinc/67/14/91/1040671491.db2.gz JNNVYPVXJVJHNY-AZUAARDMSA-N 1 2 349.434 3.530 20 30 EHEDLO CCOC(=O)c1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000600120329 1040671494 /nfs/dbraw/zinc/67/14/94/1040671494.db2.gz JNNVYPVXJVJHNY-AZUAARDMSA-N 1 2 349.434 3.530 20 30 EHEDLO CCOC(=O)c1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000600120339 1040672885 /nfs/dbraw/zinc/67/28/85/1040672885.db2.gz JNNVYPVXJVJHNY-QUCCMNQESA-N 1 2 349.434 3.530 20 30 EHEDLO CCOC(=O)c1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000600120339 1040672891 /nfs/dbraw/zinc/67/28/91/1040672891.db2.gz JNNVYPVXJVJHNY-QUCCMNQESA-N 1 2 349.434 3.530 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3/COc4c(F)cc(F)cc4C3=O)n2c1 ZINC000151413634 1040856930 /nfs/dbraw/zinc/85/69/30/1040856930.db2.gz UHOOQEVYGPMRPX-WCIBSUBMSA-N 1 2 326.302 3.580 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000433188562 1041045263 /nfs/dbraw/zinc/04/52/63/1041045263.db2.gz MFMLIPYHXLOAJW-CYBMUJFWSA-N 1 2 347.411 3.599 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000433188562 1041045271 /nfs/dbraw/zinc/04/52/71/1041045271.db2.gz MFMLIPYHXLOAJW-CYBMUJFWSA-N 1 2 347.411 3.599 20 30 EHEDLO N#Cc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278888738 1042842081 /nfs/dbraw/zinc/84/20/81/1042842081.db2.gz PLXOEJLCOBXFED-UHFFFAOYSA-N 1 2 349.438 3.503 20 30 EHEDLO CO[C@H](C)c1nc(C[NH2+]Cc2cccc(OCCCC#N)c2)cs1 ZINC000344693291 1044290714 /nfs/dbraw/zinc/29/07/14/1044290714.db2.gz ITPWNAHXFRJLIZ-CQSZACIVSA-N 1 2 345.468 3.823 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC000734462683 1131239117 /nfs/dbraw/zinc/23/91/17/1131239117.db2.gz GCFDEECAYRYMOE-SFHVURJKSA-N 1 2 349.434 3.527 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC000734462683 1131239122 /nfs/dbraw/zinc/23/91/22/1131239122.db2.gz GCFDEECAYRYMOE-SFHVURJKSA-N 1 2 349.434 3.527 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764916444 1127551123 /nfs/dbraw/zinc/55/11/23/1127551123.db2.gz UZBYITKEYSLKMY-MRXNPFEDSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000764916444 1127551125 /nfs/dbraw/zinc/55/11/25/1127551125.db2.gz UZBYITKEYSLKMY-MRXNPFEDSA-N 1 2 343.500 3.740 20 30 EHEDLO C[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1ccc(C#N)cc1 ZINC000130879730 1128523017 /nfs/dbraw/zinc/52/30/17/1128523017.db2.gz FHNBOOKLYRFQPO-UHFFFAOYSA-N 1 2 338.361 3.654 20 30 EHEDLO C[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1ccc(C#N)cc1 ZINC000130879730 1128523020 /nfs/dbraw/zinc/52/30/20/1128523020.db2.gz FHNBOOKLYRFQPO-UHFFFAOYSA-N 1 2 338.361 3.654 20 30 EHEDLO Cc1cc(C)c2ncc(C#N)c(N[C@@H]3CCN(c4cccc[nH+]4)C3)c2c1 ZINC000301787561 1128605923 /nfs/dbraw/zinc/60/59/23/1128605923.db2.gz XBYKTGQOJRJRPX-QGZVFWFLSA-N 1 2 343.434 3.809 20 30 EHEDLO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(CC#N)CC1 ZINC000542878305 1128721515 /nfs/dbraw/zinc/72/15/15/1128721515.db2.gz GHPCZPQRJWTSPY-LLVKDONJSA-N 1 2 340.254 3.946 20 30 EHEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000494666706 1120716589 /nfs/dbraw/zinc/71/65/89/1120716589.db2.gz MALVDIHDDDWWFO-UHFFFAOYSA-N 1 2 340.267 3.781 20 30 EHEDLO C=CC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000494666706 1120716591 /nfs/dbraw/zinc/71/65/91/1120716591.db2.gz MALVDIHDDDWWFO-UHFFFAOYSA-N 1 2 340.267 3.781 20 30 EHEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc(CC)cc1)c1ccccc1Cl ZINC000495082972 1120946351 /nfs/dbraw/zinc/94/63/51/1120946351.db2.gz CMPUCEWEEXINAY-FQEVSTJZSA-N 1 2 342.870 3.884 20 30 EHEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000495090601 1120949073 /nfs/dbraw/zinc/94/90/73/1120949073.db2.gz QMAZJLLCWKGLDO-LJQANCHMSA-N 1 2 346.833 3.769 20 30 EHEDLO FC(F)(F)c1ccccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000914772487 1120982196 /nfs/dbraw/zinc/98/21/96/1120982196.db2.gz ZQWFMHIFPWDTIV-UHFFFAOYSA-N 1 2 335.333 3.542 20 30 EHEDLO Cc1ccc2ncc(C#N)c(NCCCCNc3cccc[nH+]3)c2c1 ZINC000488095915 1122097984 /nfs/dbraw/zinc/09/79/84/1122097984.db2.gz XHHFYDAOHRHUNA-UHFFFAOYSA-N 1 2 331.423 3.536 20 30 EHEDLO C[N@H+](CCOc1ccccc1C#N)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000918736442 1122900657 /nfs/dbraw/zinc/90/06/57/1122900657.db2.gz NBFQQUDCAXGEDL-UHFFFAOYSA-N 1 2 345.786 3.631 20 30 EHEDLO C[N@@H+](CCOc1ccccc1C#N)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000918736442 1122900661 /nfs/dbraw/zinc/90/06/61/1122900661.db2.gz NBFQQUDCAXGEDL-UHFFFAOYSA-N 1 2 345.786 3.631 20 30 EHEDLO N#Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1F ZINC000616757911 1124032808 /nfs/dbraw/zinc/03/28/08/1124032808.db2.gz HGDYZRIIZCJIAD-QWRGUYRKSA-N 1 2 340.242 3.870 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)o1 ZINC000093363392 1129585794 /nfs/dbraw/zinc/58/57/94/1129585794.db2.gz PDQSEBLVBNFRAO-UHFFFAOYSA-N 1 2 331.803 3.655 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1ccc(C#N)o1 ZINC000093363392 1129585799 /nfs/dbraw/zinc/58/57/99/1129585799.db2.gz PDQSEBLVBNFRAO-UHFFFAOYSA-N 1 2 331.803 3.655 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000347759823 1129695466 /nfs/dbraw/zinc/69/54/66/1129695466.db2.gz SGYQBTKUVSUKNG-OAQYLSRUSA-N 1 2 347.462 3.610 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CCC)CC(F)(F)F)Cc1cccs1 ZINC000625057083 1129718402 /nfs/dbraw/zinc/71/84/02/1129718402.db2.gz RELYNUPONQTZNZ-UHFFFAOYSA-N 1 2 334.407 3.537 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CCC)CC(F)(F)F)Cc1cccs1 ZINC000625057083 1129718406 /nfs/dbraw/zinc/71/84/06/1129718406.db2.gz RELYNUPONQTZNZ-UHFFFAOYSA-N 1 2 334.407 3.537 20 30 EHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC(C2CC2)C2CC2)[nH+]1 ZINC001168743705 1129872181 /nfs/dbraw/zinc/87/21/81/1129872181.db2.gz IQTUAJXVVFAJEP-YRXHENJZSA-N 1 2 333.501 3.872 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](CC)CCC)c1=S ZINC000727821257 1130600261 /nfs/dbraw/zinc/60/02/61/1130600261.db2.gz XFGQGMCSUACIGI-UHFFFAOYSA-N 1 2 330.501 3.880 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](CC)CCC)c1=S ZINC000727821257 1130600265 /nfs/dbraw/zinc/60/02/65/1130600265.db2.gz XFGQGMCSUACIGI-UHFFFAOYSA-N 1 2 330.501 3.880 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000730097408 1130674471 /nfs/dbraw/zinc/67/44/71/1130674471.db2.gz VXRPONSUXDXANJ-SFHVURJKSA-N 1 2 328.481 3.757 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000730097408 1130674476 /nfs/dbraw/zinc/67/44/76/1130674476.db2.gz VXRPONSUXDXANJ-SFHVURJKSA-N 1 2 328.481 3.757 20 30 EHEDLO CCOc1cc(C=NNc2cc[nH+]c3ccccc23)cc(Cl)c1O ZINC000730147285 1130679329 /nfs/dbraw/zinc/67/93/29/1130679329.db2.gz AOCUGUUWISMTHD-UHFFFAOYSA-N 1 2 341.798 3.860 20 30 EHEDLO C=C(Br)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000730378290 1130703777 /nfs/dbraw/zinc/70/37/77/1130703777.db2.gz LOKUYISVAAVUSN-UHFFFAOYSA-N 1 2 333.067 3.832 20 30 EHEDLO C=C(Br)C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000730378290 1130703782 /nfs/dbraw/zinc/70/37/82/1130703782.db2.gz LOKUYISVAAVUSN-UHFFFAOYSA-N 1 2 333.067 3.832 20 30 EHEDLO CCCC[N@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 ZINC000731027277 1130761033 /nfs/dbraw/zinc/76/10/33/1130761033.db2.gz UBYNJBDAPHSREL-UHFFFAOYSA-N 1 2 325.372 3.841 20 30 EHEDLO CCCC[N@@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1 ZINC000731027277 1130761038 /nfs/dbraw/zinc/76/10/38/1130761038.db2.gz UBYNJBDAPHSREL-UHFFFAOYSA-N 1 2 325.372 3.841 20 30 EHEDLO O=C1c2sc(-c3ccccc3F)nc2CC/C1=C\c1[nH]cc[nH+]1 ZINC000731937200 1130867276 /nfs/dbraw/zinc/86/72/76/1130867276.db2.gz HFWIKEXZOCELNC-MDZDMXLPSA-N 1 2 325.368 3.885 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)CC(C)(C)C)c1=S ZINC000738098400 1131460873 /nfs/dbraw/zinc/46/08/73/1131460873.db2.gz IVZGTYZYFBXREI-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)CC(C)(C)C)c1=S ZINC000738098400 1131460875 /nfs/dbraw/zinc/46/08/75/1131460875.db2.gz IVZGTYZYFBXREI-UHFFFAOYSA-N 1 2 331.489 3.597 20 30 EHEDLO CC(=[NH+]OCc1ccccc1)c1c(F)cccc1N1CCOCC1 ZINC000741163481 1131581690 /nfs/dbraw/zinc/58/16/90/1131581690.db2.gz TYFOHUOXIOJMJH-UHFFFAOYSA-N 1 2 328.387 3.603 20 30 EHEDLO CCOC(=O)Cc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000741467343 1131605904 /nfs/dbraw/zinc/60/59/04/1131605904.db2.gz KPKNHFZMSFKTBZ-KHPPLWFESA-N 1 2 348.402 3.644 20 30 EHEDLO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172847981 1131869476 /nfs/dbraw/zinc/86/94/76/1131869476.db2.gz QWUCPWMQIJVUHW-BONVTDFDSA-N 1 2 325.836 3.684 20 30 EHEDLO C[C@@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172847981 1131869483 /nfs/dbraw/zinc/86/94/83/1131869483.db2.gz QWUCPWMQIJVUHW-BONVTDFDSA-N 1 2 325.836 3.684 20 30 EHEDLO CC(=[NH+]Nc1cccc(F)c1F)c1ccc(N2CCOCC2)cc1 ZINC000743443291 1131919548 /nfs/dbraw/zinc/91/95/48/1131919548.db2.gz VJNHJLVOQDSNCM-UHFFFAOYSA-N 1 2 331.366 3.638 20 30 EHEDLO C#CC[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)[C@H]1CCc2ccccc21 ZINC000744387487 1132083081 /nfs/dbraw/zinc/08/30/81/1132083081.db2.gz BACKDWPIUMUCKI-IBGZPJMESA-N 1 2 347.393 3.998 20 30 EHEDLO C#CC[N@H+](Cc1nnc(-c2cccc(F)c2)o1)[C@H]1CCc2ccccc21 ZINC000744387487 1132083085 /nfs/dbraw/zinc/08/30/85/1132083085.db2.gz BACKDWPIUMUCKI-IBGZPJMESA-N 1 2 347.393 3.998 20 30 EHEDLO N#Cc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1Cl ZINC001174403236 1132338965 /nfs/dbraw/zinc/33/89/65/1132338965.db2.gz HXVPRDKCYTVRRS-UHFFFAOYSA-N 1 2 327.815 3.787 20 30 EHEDLO C=CCc1cc(C)c[nH+]c1N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001168892908 1132590302 /nfs/dbraw/zinc/59/03/02/1132590302.db2.gz NJIUIJMGXGGIPY-IBGZPJMESA-N 1 2 335.451 3.835 20 30 EHEDLO Cc1ccc(-n2ncc(C#N)c2Nc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC001175346164 1132628933 /nfs/dbraw/zinc/62/89/33/1132628933.db2.gz MDOAPNVWKXCCER-UHFFFAOYSA-N 1 2 344.422 3.791 20 30 EHEDLO N#CCOc1ccccc1Nc1cc(Br)cn2cc[nH+]c12 ZINC001212596395 1132884947 /nfs/dbraw/zinc/88/49/47/1132884947.db2.gz QPCVQJOZLAKDSD-UHFFFAOYSA-N 1 2 343.184 3.743 20 30 EHEDLO COc1nc(N(C)C)sc1C=[NH+]Nc1ccc(Cl)c(Cl)c1 ZINC000767010541 1132929160 /nfs/dbraw/zinc/92/91/60/1132929160.db2.gz HNAODCZNBUTSMU-UHFFFAOYSA-N 1 2 345.255 3.971 20 30 EHEDLO C=CCn1cc(Nc2cc[nH+]c3ccc(Br)cc23)cn1 ZINC001176544154 1132948265 /nfs/dbraw/zinc/94/82/65/1132948265.db2.gz ZFAORVKINRRDMR-UHFFFAOYSA-N 1 2 329.201 3.545 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2ccccc2C(C)(C)C#N)ccc1F ZINC000767828742 1133059151 /nfs/dbraw/zinc/05/91/51/1133059151.db2.gz RUPWTEZYPYXTQZ-UHFFFAOYSA-N 1 2 325.387 3.772 20 30 EHEDLO CCCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000770389580 1133421394 /nfs/dbraw/zinc/42/13/94/1133421394.db2.gz HTRPFUBVLZAVGE-OAQYLSRUSA-N 1 2 336.435 3.921 20 30 EHEDLO CCCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000770389580 1133421399 /nfs/dbraw/zinc/42/13/99/1133421399.db2.gz HTRPFUBVLZAVGE-OAQYLSRUSA-N 1 2 336.435 3.921 20 30 EHEDLO COc1cc([N+](=O)[O-])ccc1N[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000746681600 1134005850 /nfs/dbraw/zinc/00/58/50/1134005850.db2.gz LWERHJFVVBRORO-UHFFFAOYSA-N 1 2 328.372 3.506 20 30 EHEDLO CC(C)(C)OCCCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000788785466 1134174943 /nfs/dbraw/zinc/17/49/43/1134174943.db2.gz CUCFAOKOMFACIP-UHFFFAOYSA-N 1 2 343.265 3.681 20 30 EHEDLO Brc1ccc2[nH]c(NCC#Cc3ccccc3)[nH+]c2c1 ZINC001170427807 1134866952 /nfs/dbraw/zinc/86/69/52/1134866952.db2.gz YVYHWSMQSPBOQF-UHFFFAOYSA-N 1 2 326.197 3.789 20 30 EHEDLO Brc1ccc2[nH+]c(NCC#Cc3ccccc3)[nH]c2c1 ZINC001170427807 1134866962 /nfs/dbraw/zinc/86/69/62/1134866962.db2.gz YVYHWSMQSPBOQF-UHFFFAOYSA-N 1 2 326.197 3.789 20 30 EHEDLO C=CCCCCCCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000805166257 1135242565 /nfs/dbraw/zinc/24/25/65/1135242565.db2.gz FZNBHKSKQZNOSV-UHFFFAOYSA-N 1 2 328.460 3.621 20 30 EHEDLO COC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1F ZINC000806146848 1135400737 /nfs/dbraw/zinc/40/07/37/1135400737.db2.gz DHTSRKSUEWQJRD-INIZCTEOSA-N 1 2 336.769 3.967 20 30 EHEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001198490237 1135822974 /nfs/dbraw/zinc/82/29/74/1135822974.db2.gz IOLAFSZOEHLYRO-JSGCOSHPSA-N 1 2 326.396 3.613 20 30 EHEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001198490237 1135822979 /nfs/dbraw/zinc/82/29/79/1135822979.db2.gz IOLAFSZOEHLYRO-JSGCOSHPSA-N 1 2 326.396 3.613 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 ZINC000810522119 1135968988 /nfs/dbraw/zinc/96/89/88/1135968988.db2.gz XGRZJNOHICGACN-FOIQADDNSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@H](C#N)c2ccc3ccccc3n2)C1 ZINC000810522119 1135968991 /nfs/dbraw/zinc/96/89/91/1135968991.db2.gz XGRZJNOHICGACN-FOIQADDNSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 ZINC000810522122 1135969025 /nfs/dbraw/zinc/96/90/25/1135969025.db2.gz XGRZJNOHICGACN-YWZLYKJASA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)c2ccc3ccccc3n2)C1 ZINC000810522122 1135969029 /nfs/dbraw/zinc/96/90/29/1135969029.db2.gz XGRZJNOHICGACN-YWZLYKJASA-N 1 2 339.414 3.624 20 30 EHEDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1)c1ccc(OCC#N)cc1 ZINC000776154365 1136006017 /nfs/dbraw/zinc/00/60/17/1136006017.db2.gz REGLPNSFNBLHMH-UZLBHIALSA-N 1 2 346.434 3.763 20 30 EHEDLO N#Cc1ccc(C=NNc2cc[nH+]c3ccccc23)c(C(F)(F)F)c1 ZINC000811641747 1136115459 /nfs/dbraw/zinc/11/54/59/1136115459.db2.gz ORHWFUDFDGKZII-UHFFFAOYSA-N 1 2 340.308 3.993 20 30 EHEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NCCc1ccccn1 ZINC000811648476 1136116350 /nfs/dbraw/zinc/11/63/50/1136116350.db2.gz SCGUUKYSIPZTHK-UHFFFAOYSA-N 1 2 337.254 3.621 20 30 EHEDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000338930438 1136307052 /nfs/dbraw/zinc/30/70/52/1136307052.db2.gz YGGJJICIXUSWLM-CYBMUJFWSA-N 1 2 325.368 3.755 20 30 EHEDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000338930438 1136307056 /nfs/dbraw/zinc/30/70/56/1136307056.db2.gz YGGJJICIXUSWLM-CYBMUJFWSA-N 1 2 325.368 3.755 20 30 EHEDLO C#CCOCC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000851934753 1136421354 /nfs/dbraw/zinc/42/13/54/1136421354.db2.gz FYZNNWPGWFCXGX-UHFFFAOYSA-N 1 2 331.460 3.516 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000852329317 1136449301 /nfs/dbraw/zinc/44/93/01/1136449301.db2.gz YBJNLQBWQYYKIO-IBGZPJMESA-N 1 2 343.377 3.740 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000852329317 1136449303 /nfs/dbraw/zinc/44/93/03/1136449303.db2.gz YBJNLQBWQYYKIO-IBGZPJMESA-N 1 2 343.377 3.740 20 30 EHEDLO C#CCC[N@@H+](CCOC)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000852752564 1136483972 /nfs/dbraw/zinc/48/39/72/1136483972.db2.gz CLSOQZFUEDDROP-UHFFFAOYSA-N 1 2 348.899 3.859 20 30 EHEDLO C#CCC[N@H+](CCOC)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000852752564 1136483973 /nfs/dbraw/zinc/48/39/73/1136483973.db2.gz CLSOQZFUEDDROP-UHFFFAOYSA-N 1 2 348.899 3.859 20 30 EHEDLO Nc1ccc2c(c1)C(=[NH+]Nc1ccnc(Br)c1)CCC2 ZINC000814904392 1136523163 /nfs/dbraw/zinc/52/31/63/1136523163.db2.gz HDFPQDYRCGTTIN-UHFFFAOYSA-N 1 2 331.217 3.579 20 30 EHEDLO Cc1cccc(F)c1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853334517 1136526347 /nfs/dbraw/zinc/52/63/47/1136526347.db2.gz INYGQGAXQMYOPF-UHFFFAOYSA-N 1 2 327.403 3.541 20 30 EHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccc(Cl)cn3)CC2)cc1 ZINC000853437451 1136532002 /nfs/dbraw/zinc/53/20/02/1136532002.db2.gz OGBGNJVHGBWLTM-UHFFFAOYSA-N 1 2 343.862 3.869 20 30 EHEDLO Nc1ccc2c(c1)C(=[NH+]Nc1ccnc(Br)c1)CCCC2 ZINC000817326023 1136793658 /nfs/dbraw/zinc/79/36/58/1136793658.db2.gz KHENFZGKVJGRLS-UHFFFAOYSA-N 1 2 345.244 3.969 20 30 EHEDLO CN(C)c1nc(N[C@@H]2CCc3c2cccc3C#N)[nH+]c2ccccc21 ZINC001171060148 1137143864 /nfs/dbraw/zinc/14/38/64/1137143864.db2.gz CVGGEVYSGZEIMA-GOSISDBHSA-N 1 2 329.407 3.667 20 30 EHEDLO COc1ccc2[nH]cc(C(=O)/C=C/c3ncc(C[NH+](C)C)s3)c2c1 ZINC000794703985 1137240184 /nfs/dbraw/zinc/24/01/84/1137240184.db2.gz XUIZTAOWMBKIFC-VOTSOKGWSA-N 1 2 341.436 3.591 20 30 EHEDLO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866356174 1137348778 /nfs/dbraw/zinc/34/87/78/1137348778.db2.gz JPKSXWZKUXEFSC-YVEFUNNKSA-N 1 2 330.815 3.692 20 30 EHEDLO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)c1cccc(C#N)c1O ZINC000866409007 1137352533 /nfs/dbraw/zinc/35/25/33/1137352533.db2.gz HIXHLFCAOAZMEJ-GTNSWQLSSA-N 1 2 348.805 3.831 20 30 EHEDLO C#CCOc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC001146477930 1137391027 /nfs/dbraw/zinc/39/10/27/1137391027.db2.gz LTPVIKKGIYSUNZ-IBGZPJMESA-N 1 2 345.402 3.582 20 30 EHEDLO Fc1cccc2c1C[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001171773919 1137509851 /nfs/dbraw/zinc/50/98/51/1137509851.db2.gz QYMLKHVROVDIHU-MRVPVSSYSA-N 1 2 333.222 3.715 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(C#N)CCCC2)CC12CCC2 ZINC001171833817 1137515123 /nfs/dbraw/zinc/51/51/23/1137515123.db2.gz PQSLDJGPGUOKCQ-OAHLLOKOSA-N 1 2 333.476 3.735 20 30 EHEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171884812 1137516933 /nfs/dbraw/zinc/51/69/33/1137516933.db2.gz BIUBFSKAJAHZIC-QUCCMNQESA-N 1 2 327.472 3.599 20 30 EHEDLO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(OC)c1OC ZINC000873149479 1137591381 /nfs/dbraw/zinc/59/13/81/1137591381.db2.gz PDJHNVVZWMCKIQ-QGZVFWFLSA-N 1 2 328.387 3.955 20 30 EHEDLO COc1cc(C)c(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1OC ZINC000125372746 1137632017 /nfs/dbraw/zinc/63/20/17/1137632017.db2.gz CTYDWEIAYZKWRC-BQYQJAHWSA-N 1 2 336.391 3.864 20 30 EHEDLO CC(C)COc1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876957917 1137666318 /nfs/dbraw/zinc/66/63/18/1137666318.db2.gz LKFSRHHNPJDRED-UHFFFAOYSA-N 1 2 329.831 3.931 20 30 EHEDLO C=CCN(CC=C)C(=O)C[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879158197 1137739691 /nfs/dbraw/zinc/73/96/91/1137739691.db2.gz UEGNQFHREGJCLM-UHFFFAOYSA-N 1 2 347.846 3.507 20 30 EHEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1C1CC1 ZINC000881125980 1137800795 /nfs/dbraw/zinc/80/07/95/1137800795.db2.gz XYBOQBFOAFHVSH-UHFFFAOYSA-N 1 2 335.411 3.570 20 30 EHEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1C1CC1 ZINC000881125980 1137800796 /nfs/dbraw/zinc/80/07/96/1137800796.db2.gz XYBOQBFOAFHVSH-UHFFFAOYSA-N 1 2 335.411 3.570 20 30 EHEDLO C=CCCC[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1 ZINC000883233503 1137849875 /nfs/dbraw/zinc/84/98/75/1137849875.db2.gz KDROERPNLLJCTB-SJORKVTESA-N 1 2 326.444 3.843 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C ZINC000348271543 1137891514 /nfs/dbraw/zinc/89/15/14/1137891514.db2.gz GFBUDOHPYUXJPO-ZFWWWQNUSA-N 1 2 328.378 3.746 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C ZINC000348271543 1137891515 /nfs/dbraw/zinc/89/15/15/1137891515.db2.gz GFBUDOHPYUXJPO-ZFWWWQNUSA-N 1 2 328.378 3.746 20 30 EHEDLO C=CCCCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000077274563 1138138280 /nfs/dbraw/zinc/13/82/80/1138138280.db2.gz DDFCEQQPSQTYDT-IAGOWNOFSA-N 1 2 345.487 3.726 20 30 EHEDLO Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@@H](C)CC#N)cc3)nc12 ZINC000093090976 1138234304 /nfs/dbraw/zinc/23/43/04/1138234304.db2.gz JXZZTYYABGLTPG-KRWDZBQOSA-N 1 2 348.450 3.956 20 30 EHEDLO Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@@H](C)CC#N)cc3)nc12 ZINC000093090976 1138234305 /nfs/dbraw/zinc/23/43/05/1138234305.db2.gz JXZZTYYABGLTPG-KRWDZBQOSA-N 1 2 348.450 3.956 20 30 EHEDLO C=C(C)CN(CC)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264233940 1138449854 /nfs/dbraw/zinc/44/98/54/1138449854.db2.gz LSTSUZXDQJWAQB-MRXNPFEDSA-N 1 2 331.460 3.510 20 30 EHEDLO C[C@H]1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000134157634 1138675700 /nfs/dbraw/zinc/67/57/00/1138675700.db2.gz ILVWSJYXSZCNCL-LRDDRELGSA-N 1 2 334.345 3.861 20 30 EHEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1c1ccccc1 ZINC000177831524 1139644629 /nfs/dbraw/zinc/64/46/29/1139644629.db2.gz LYEDHUCZTPWYMQ-LIRRHRJNSA-N 1 2 330.391 3.801 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1c1ccccc1 ZINC000177831524 1139644632 /nfs/dbraw/zinc/64/46/32/1139644632.db2.gz LYEDHUCZTPWYMQ-LIRRHRJNSA-N 1 2 330.391 3.801 20 30 EHEDLO C[C@H]1c2cccn2CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000179564186 1139765462 /nfs/dbraw/zinc/76/54/62/1139765462.db2.gz SYOHYHWDTRQONE-KRWDZBQOSA-N 1 2 345.450 3.842 20 30 EHEDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000179564186 1139765469 /nfs/dbraw/zinc/76/54/69/1139765469.db2.gz SYOHYHWDTRQONE-KRWDZBQOSA-N 1 2 345.450 3.842 20 30 EHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000185227983 1140140865 /nfs/dbraw/zinc/14/08/65/1140140865.db2.gz OURZYKLBJMAWCX-AWEZNQCLSA-N 1 2 340.452 3.530 20 30 EHEDLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)c1ccc(C#N)c(Cl)c1 ZINC001266274513 1014553548 /nfs/dbraw/zinc/55/35/48/1014553548.db2.gz SKDIOFWUBWHIDC-UHFFFAOYSA-N 1 2 338.798 3.835 20 30 EHEDLO C=CCC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000188188179 1015668832 /nfs/dbraw/zinc/66/88/32/1015668832.db2.gz CGFQANIRWPOVKU-HNNXBMFYSA-N 1 2 341.480 3.820 20 30 EHEDLO C=CCC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000188188179 1015668837 /nfs/dbraw/zinc/66/88/37/1015668837.db2.gz CGFQANIRWPOVKU-HNNXBMFYSA-N 1 2 341.480 3.820 20 30 EHEDLO C=CC[N@H+](CC(=O)NCCC1=CCCCC1)Cc1cccc(C#N)c1 ZINC000109373794 1015745374 /nfs/dbraw/zinc/74/53/74/1015745374.db2.gz POFLSHKUHFASPS-UHFFFAOYSA-N 1 2 337.467 3.553 20 30 EHEDLO C=CC[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1cccc(C#N)c1 ZINC000109373794 1015745380 /nfs/dbraw/zinc/74/53/80/1015745380.db2.gz POFLSHKUHFASPS-UHFFFAOYSA-N 1 2 337.467 3.553 20 30 EHEDLO Cc1c(Cl)c(Cl)nc(N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC001167123873 1016189888 /nfs/dbraw/zinc/18/98/88/1016189888.db2.gz MONHSBQSNAAKGZ-UHFFFAOYSA-N 1 2 336.226 3.607 20 30 EHEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)c1nc(C(C)(C)C)no1 ZINC000122217975 1016555864 /nfs/dbraw/zinc/55/58/64/1016555864.db2.gz OJDNJNAYSYHORC-JTQLQIEISA-N 1 2 336.823 3.613 20 30 EHEDLO O=c1[nH]c2ccccc2cc1C=NCc1ccccc1-n1cc[nH+]c1 ZINC000122240137 1016748123 /nfs/dbraw/zinc/74/81/23/1016748123.db2.gz UZGVGCYJBNHZJP-LPYMAVHISA-N 1 2 328.375 3.745 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(CO)ccc1F ZINC000528501732 1032366561 /nfs/dbraw/zinc/36/65/61/1032366561.db2.gz DBZILTJJLJHUID-UHFFFAOYSA-N 1 2 331.435 3.674 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(CO)ccc1F ZINC000528501732 1032366566 /nfs/dbraw/zinc/36/65/66/1032366566.db2.gz DBZILTJJLJHUID-UHFFFAOYSA-N 1 2 331.435 3.674 20 30 EHEDLO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000610276234 1032378687 /nfs/dbraw/zinc/37/86/87/1032378687.db2.gz FLCWSUHMPUNNFQ-QGZVFWFLSA-N 1 2 331.423 3.761 20 30 EHEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001210121501 1017153600 /nfs/dbraw/zinc/15/36/00/1017153600.db2.gz MDUZWFRLJLRQRN-LJQANCHMSA-N 1 2 325.415 3.881 20 30 EHEDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000377222686 1017480824 /nfs/dbraw/zinc/48/08/24/1017480824.db2.gz HNZUNKSFBBEHCU-VQIMIIECSA-N 1 2 338.455 3.921 20 30 EHEDLO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000377222686 1017480836 /nfs/dbraw/zinc/48/08/36/1017480836.db2.gz HNZUNKSFBBEHCU-VQIMIIECSA-N 1 2 338.455 3.921 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000728711576 1018354036 /nfs/dbraw/zinc/35/40/36/1018354036.db2.gz IBHIJVSCSHMZSQ-OXQOHEQNSA-N 1 2 346.434 3.590 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000728711575 1018354636 /nfs/dbraw/zinc/35/46/36/1018354636.db2.gz IBHIJVSCSHMZSQ-OXJNMPFZSA-N 1 2 346.434 3.590 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC3(CC3(F)F)CC2)c1C#N ZINC000593073048 1032768852 /nfs/dbraw/zinc/76/88/52/1032768852.db2.gz OJTRARUOJRUMNU-UHFFFAOYSA-N 1 2 342.393 3.674 20 30 EHEDLO C=CCCC1(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)CC1 ZINC000476094751 1032847624 /nfs/dbraw/zinc/84/76/24/1032847624.db2.gz CVGHQGPDFRTJAK-UHFFFAOYSA-N 1 2 332.513 3.701 20 30 EHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000069450618 1020781146 /nfs/dbraw/zinc/78/11/46/1020781146.db2.gz LDCKUZMRGAGBEI-GFCCVEGCSA-N 1 2 339.892 3.564 20 30 EHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000069450618 1020781154 /nfs/dbraw/zinc/78/11/54/1020781154.db2.gz LDCKUZMRGAGBEI-GFCCVEGCSA-N 1 2 339.892 3.564 20 30 EHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000684259000 1020908683 /nfs/dbraw/zinc/90/86/83/1020908683.db2.gz VDEUWLOMQHYJKT-UHFFFAOYSA-N 1 2 349.478 3.790 20 30 EHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc([N+](=O)[O-])cc1Cl ZINC000588421516 1021283909 /nfs/dbraw/zinc/28/39/09/1021283909.db2.gz OYVPVSKNCWUXFK-ALCCZGGFSA-N 1 2 327.727 3.792 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)Cc1c(OC)cc(OC)cc1OC ZINC000506004742 1021685776 /nfs/dbraw/zinc/68/57/76/1021685776.db2.gz HDSKBHGYBOAFRO-UHFFFAOYSA-N 1 2 333.453 3.962 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)Cc1c(OC)cc(OC)cc1OC ZINC000506004742 1021685783 /nfs/dbraw/zinc/68/57/83/1021685783.db2.gz HDSKBHGYBOAFRO-UHFFFAOYSA-N 1 2 333.453 3.962 20 30 EHEDLO CC(C)[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1 ZINC000439789095 1021731276 /nfs/dbraw/zinc/73/12/76/1021731276.db2.gz PAYMTPFHBNVFFX-UHFFFAOYSA-N 1 2 342.389 3.665 20 30 EHEDLO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1 ZINC000439789095 1021731292 /nfs/dbraw/zinc/73/12/92/1021731292.db2.gz PAYMTPFHBNVFFX-UHFFFAOYSA-N 1 2 342.389 3.665 20 30 EHEDLO C[N@H+](Cc1cnc(CC(F)(F)F)s1)Cc1cc(C#N)cs1 ZINC000897624247 1033007072 /nfs/dbraw/zinc/00/70/72/1033007072.db2.gz DNWDODAUBPVQMT-UHFFFAOYSA-N 1 2 331.388 3.813 20 30 EHEDLO C[N@@H+](Cc1cnc(CC(F)(F)F)s1)Cc1cc(C#N)cs1 ZINC000897624247 1033007081 /nfs/dbraw/zinc/00/70/81/1033007081.db2.gz DNWDODAUBPVQMT-UHFFFAOYSA-N 1 2 331.388 3.813 20 30 EHEDLO C[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000520168800 1021994732 /nfs/dbraw/zinc/99/47/32/1021994732.db2.gz XYAGQTFVBKYHMH-CQSZACIVSA-N 1 2 341.842 3.521 20 30 EHEDLO C[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000520168800 1021994742 /nfs/dbraw/zinc/99/47/42/1021994742.db2.gz XYAGQTFVBKYHMH-CQSZACIVSA-N 1 2 341.842 3.521 20 30 EHEDLO CC(C)(C)c1coc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000891693926 1022366870 /nfs/dbraw/zinc/36/68/70/1022366870.db2.gz IUSGCDDREJQIQM-UHFFFAOYSA-N 1 2 338.455 3.556 20 30 EHEDLO CC(C)(C)c1coc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000891693926 1022366886 /nfs/dbraw/zinc/36/68/86/1022366886.db2.gz IUSGCDDREJQIQM-UHFFFAOYSA-N 1 2 338.455 3.556 20 30 EHEDLO Cc1cn2cc(NC(=O)c3ccc(N4CCC(C)CC4)nc3)ccc2[nH+]1 ZINC000328873106 1022463039 /nfs/dbraw/zinc/46/30/39/1022463039.db2.gz QVSDOKRBYSKDMB-UHFFFAOYSA-N 1 2 349.438 3.910 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H]2CCOc3ccccc32)on1 ZINC000328747425 1022477664 /nfs/dbraw/zinc/47/76/64/1022477664.db2.gz AYFLWULJQXHKIG-HOTGVXAUSA-N 1 2 341.411 3.600 20 30 EHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@H]2CCOc3ccccc32)on1 ZINC000328747425 1022477673 /nfs/dbraw/zinc/47/76/73/1022477673.db2.gz AYFLWULJQXHKIG-HOTGVXAUSA-N 1 2 341.411 3.600 20 30 EHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2CCC(C(C)(C)C)CC2)C1 ZINC000328881705 1022525386 /nfs/dbraw/zinc/52/53/86/1022525386.db2.gz WQCJSSANUZTHRM-CGZBRXJRSA-N 1 2 346.519 3.976 20 30 EHEDLO N#CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000602699787 1033088006 /nfs/dbraw/zinc/08/80/06/1033088006.db2.gz ONWXDSJOFOQDFO-UHFFFAOYSA-N 1 2 327.306 3.787 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1COc2ccccc2O1 ZINC000610604320 1022984570 /nfs/dbraw/zinc/98/45/70/1022984570.db2.gz PEUJAZGAEJWOBL-IPMKNSEASA-N 1 2 334.419 3.598 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC000610604320 1022984578 /nfs/dbraw/zinc/98/45/78/1022984578.db2.gz PEUJAZGAEJWOBL-IPMKNSEASA-N 1 2 334.419 3.598 20 30 EHEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c(F)c1 ZINC000506466273 1023221735 /nfs/dbraw/zinc/22/17/35/1023221735.db2.gz KPRFUVARJUKSEA-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341980610 1023732398 /nfs/dbraw/zinc/73/23/98/1023732398.db2.gz ANLRWRKJVVPGSD-LBPRGKRZSA-N 1 2 339.361 3.550 20 30 EHEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329655708 1023987870 /nfs/dbraw/zinc/98/78/70/1023987870.db2.gz MJXQWZYRLNMGLO-PCKAHOCUSA-N 1 2 344.455 3.784 20 30 EHEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000329655708 1023987881 /nfs/dbraw/zinc/98/78/81/1023987881.db2.gz MJXQWZYRLNMGLO-PCKAHOCUSA-N 1 2 344.455 3.784 20 30 EHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCCC23CCCC3)C1 ZINC000329832389 1024214715 /nfs/dbraw/zinc/21/47/15/1024214715.db2.gz TYLAKAHJYGQLCE-CVEARBPZSA-N 1 2 330.476 3.626 20 30 EHEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC000329931732 1024252734 /nfs/dbraw/zinc/25/27/34/1024252734.db2.gz ATPJAHZZVJGRKZ-ILOCAZANSA-N 1 2 330.476 3.649 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CC1CCCCC1 ZINC000330187547 1024347341 /nfs/dbraw/zinc/34/73/41/1024347341.db2.gz KLTJUJLDDVCZNC-SJORKVTESA-N 1 2 330.476 3.547 20 30 EHEDLO N#Cc1ccc2nc(N3CCC(Nc4cccc[nH+]4)CC3)ccc2c1 ZINC000895352957 1024367485 /nfs/dbraw/zinc/36/74/85/1024367485.db2.gz PJGUMHZWHKHCMJ-UHFFFAOYSA-N 1 2 329.407 3.582 20 30 EHEDLO Cc1oc(C#N)cc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000281067737 1024615066 /nfs/dbraw/zinc/61/50/66/1024615066.db2.gz NWWTWKKLQKRJRA-UHFFFAOYSA-N 1 2 346.390 3.912 20 30 EHEDLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000895837094 1024904349 /nfs/dbraw/zinc/90/43/49/1024904349.db2.gz RFQWMMUTMYLPSG-GFCCVEGCSA-N 1 2 345.258 3.591 20 30 EHEDLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000895837094 1024904361 /nfs/dbraw/zinc/90/43/61/1024904361.db2.gz RFQWMMUTMYLPSG-GFCCVEGCSA-N 1 2 345.258 3.591 20 30 EHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000602893787 1033246158 /nfs/dbraw/zinc/24/61/58/1033246158.db2.gz HIYKDTMFUGMDGW-UHFFFAOYSA-N 1 2 338.480 3.969 20 30 EHEDLO C[C@H]1c2cccc(Br)c2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361589440 1024942681 /nfs/dbraw/zinc/94/26/81/1024942681.db2.gz VOJNAUFSFPCFDM-LBPRGKRZSA-N 1 2 344.256 3.779 20 30 EHEDLO C[C@H]1c2cccc(Br)c2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000361589440 1024942688 /nfs/dbraw/zinc/94/26/88/1024942688.db2.gz VOJNAUFSFPCFDM-LBPRGKRZSA-N 1 2 344.256 3.779 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1OC ZINC000277415977 1025025793 /nfs/dbraw/zinc/02/57/93/1025025793.db2.gz MEBDNYOHIJRUOS-KBPBESRZSA-N 1 2 344.459 3.742 20 30 EHEDLO C=CCN(CCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342397392 1025185277 /nfs/dbraw/zinc/18/52/77/1025185277.db2.gz KYDVXTVNHWZGIJ-UHFFFAOYSA-N 1 2 331.419 3.743 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccc(OC)cc1 ZINC000515745057 1025536369 /nfs/dbraw/zinc/53/63/69/1025536369.db2.gz NVTKTSXCZCDSRA-FUHIMQAGSA-N 1 2 344.499 3.624 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccc(OC)cc1 ZINC000515745057 1025536382 /nfs/dbraw/zinc/53/63/82/1025536382.db2.gz NVTKTSXCZCDSRA-FUHIMQAGSA-N 1 2 344.499 3.624 20 30 EHEDLO CCC[N@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000281895606 1025647522 /nfs/dbraw/zinc/64/75/22/1025647522.db2.gz FDTWMBMHYCBEQP-UHFFFAOYSA-N 1 2 331.423 3.551 20 30 EHEDLO CCC[N@@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000281895606 1025647530 /nfs/dbraw/zinc/64/75/30/1025647530.db2.gz FDTWMBMHYCBEQP-UHFFFAOYSA-N 1 2 331.423 3.551 20 30 EHEDLO C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCCOC1 ZINC000329277919 1025713510 /nfs/dbraw/zinc/71/35/10/1025713510.db2.gz CRZKJASWENDCOQ-LJQANCHMSA-N 1 2 331.460 3.735 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000329430046 1025840671 /nfs/dbraw/zinc/84/06/71/1025840671.db2.gz IBAWCYQSPAMGOI-BBRMVZONSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000329430046 1025840689 /nfs/dbraw/zinc/84/06/89/1025840689.db2.gz IBAWCYQSPAMGOI-BBRMVZONSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000329430046 1025840705 /nfs/dbraw/zinc/84/07/05/1025840705.db2.gz IBAWCYQSPAMGOI-BBRMVZONSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000329430046 1025840719 /nfs/dbraw/zinc/84/07/19/1025840719.db2.gz IBAWCYQSPAMGOI-BBRMVZONSA-N 1 2 341.459 3.532 20 30 EHEDLO COc1cc(C)[nH+]c(CSCCCOc2cccc(C#N)c2)c1 ZINC000540726071 1025908662 /nfs/dbraw/zinc/90/86/62/1025908662.db2.gz MUFNSPXEPOGGCU-UHFFFAOYSA-N 1 2 328.437 3.973 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CC3(C1)CCCCC3)C2 ZINC000329572046 1026023062 /nfs/dbraw/zinc/02/30/62/1026023062.db2.gz MXEFEACMEANCIT-OAHLLOKOSA-N 1 2 344.503 3.676 20 30 EHEDLO CCO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000451521823 1026071934 /nfs/dbraw/zinc/07/19/34/1026071934.db2.gz AFLOWSQIPFCIHO-MLGOLLRUSA-N 1 2 337.261 3.568 20 30 EHEDLO CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000451521823 1026071944 /nfs/dbraw/zinc/07/19/44/1026071944.db2.gz AFLOWSQIPFCIHO-MLGOLLRUSA-N 1 2 337.261 3.568 20 30 EHEDLO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000934469217 1026262934 /nfs/dbraw/zinc/26/29/34/1026262934.db2.gz QUFRYOKCRGMBAH-SECBINFHSA-N 1 2 340.246 3.711 20 30 EHEDLO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccc(Br)s2)no1 ZINC000934469217 1026262949 /nfs/dbraw/zinc/26/29/49/1026262949.db2.gz QUFRYOKCRGMBAH-SECBINFHSA-N 1 2 340.246 3.711 20 30 EHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000451735286 1026271551 /nfs/dbraw/zinc/27/15/51/1026271551.db2.gz NGCXFBXHWPRLCL-PKOBYXMFSA-N 1 2 345.874 3.675 20 30 EHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000451735286 1026271558 /nfs/dbraw/zinc/27/15/58/1026271558.db2.gz NGCXFBXHWPRLCL-PKOBYXMFSA-N 1 2 345.874 3.675 20 30 EHEDLO C(=[NH+]Nc1cccc2cnccc21)c1ccc(N2CCOCC2)s1 ZINC000728432461 1026351795 /nfs/dbraw/zinc/35/17/95/1026351795.db2.gz UCYNFBMVENCJEN-UHFFFAOYSA-N 1 2 338.436 3.579 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OC)cc1 ZINC000054271974 1026988682 /nfs/dbraw/zinc/98/86/82/1026988682.db2.gz NNOHUCDGCKRXCM-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OC)cc1 ZINC000054271974 1026988691 /nfs/dbraw/zinc/98/86/91/1026988691.db2.gz NNOHUCDGCKRXCM-UHFFFAOYSA-N 1 2 338.451 3.939 20 30 EHEDLO CC(=O)N(c1nc(C[NH2+]CCCC#N)cs1)c1ccc(C)cc1 ZINC000273033640 1027235895 /nfs/dbraw/zinc/23/58/95/1027235895.db2.gz GUMWJSVREGUDCO-UHFFFAOYSA-N 1 2 328.441 3.530 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000577002487 1027286248 /nfs/dbraw/zinc/28/62/48/1027286248.db2.gz DZDMTMSGVAICFU-QMMMGPOBSA-N 1 2 334.634 3.867 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2csc(C#N)c2)C1 ZINC000894286451 1028685578 /nfs/dbraw/zinc/68/55/78/1028685578.db2.gz XYWJWJCCOOMFMU-SFHVURJKSA-N 1 2 347.484 3.595 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2csc(C#N)c2)C1 ZINC000894286451 1028685587 /nfs/dbraw/zinc/68/55/87/1028685587.db2.gz XYWJWJCCOOMFMU-SFHVURJKSA-N 1 2 347.484 3.595 20 30 EHEDLO C=CCCc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000505016224 1029119783 /nfs/dbraw/zinc/11/97/83/1029119783.db2.gz DDDHLKUHMSEPGW-KRWDZBQOSA-N 1 2 336.439 3.601 20 30 EHEDLO C=CCC1(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)CCOCC1 ZINC000424814736 1029359156 /nfs/dbraw/zinc/35/91/56/1029359156.db2.gz UPWDIEIZHWLWHP-UHFFFAOYSA-N 1 2 325.412 3.697 20 30 EHEDLO N#CCOc1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000272596512 1029527693 /nfs/dbraw/zinc/52/76/93/1029527693.db2.gz XFRRKHSZEVSQJU-SFHVURJKSA-N 1 2 330.378 3.945 20 30 EHEDLO CN(CC(C)(C)C#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000455021926 1029560271 /nfs/dbraw/zinc/56/02/71/1029560271.db2.gz KTSUAIPSJQAKDF-UHFFFAOYSA-N 1 2 349.438 3.615 20 30 EHEDLO N#CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000162799708 1029920840 /nfs/dbraw/zinc/92/08/40/1029920840.db2.gz VHSUCLXBGJKMAW-XCVCLJGOSA-N 1 2 344.374 3.631 20 30 EHEDLO CC[N@H+](CCC#N)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000127610032 1029931805 /nfs/dbraw/zinc/93/18/05/1029931805.db2.gz OJTGDSUHHKKHIM-UHFFFAOYSA-N 1 2 337.423 3.683 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000127610032 1029931817 /nfs/dbraw/zinc/93/18/17/1029931817.db2.gz OJTGDSUHHKKHIM-UHFFFAOYSA-N 1 2 337.423 3.683 20 30 EHEDLO CC[N@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000127656175 1029947862 /nfs/dbraw/zinc/94/78/62/1029947862.db2.gz ZBASXYIWVRSHSV-UHFFFAOYSA-N 1 2 345.450 3.729 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000127656175 1029947880 /nfs/dbraw/zinc/94/78/80/1029947880.db2.gz ZBASXYIWVRSHSV-UHFFFAOYSA-N 1 2 345.450 3.729 20 30 EHEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cc3ccccc3o2)c1C#N ZINC000525956718 1030241667 /nfs/dbraw/zinc/24/16/67/1030241667.db2.gz HIWFTWJEJQJCLN-CYBMUJFWSA-N 1 2 334.375 3.942 20 30 EHEDLO CC(C)c1ccc2ncc(C#N)c(N(C)CCCn3cc[nH+]c3)c2c1 ZINC000447686714 1030421204 /nfs/dbraw/zinc/42/12/04/1030421204.db2.gz AKRKXEDLJUVHSD-UHFFFAOYSA-N 1 2 333.439 3.953 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2ccsc2)c(C#N)c1C ZINC000052803884 1031708020 /nfs/dbraw/zinc/70/80/20/1031708020.db2.gz WRDGMXLWCQXSOJ-MLGOLLRUSA-N 1 2 343.452 3.994 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2c2ccsc2)c(C#N)c1C ZINC000052803884 1031708034 /nfs/dbraw/zinc/70/80/34/1031708034.db2.gz WRDGMXLWCQXSOJ-MLGOLLRUSA-N 1 2 343.452 3.994 20 30 EHEDLO N#CC1(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)CCC1 ZINC000842026514 1033338459 /nfs/dbraw/zinc/33/84/59/1033338459.db2.gz GEXVTYFAISIVOS-UHFFFAOYSA-N 1 2 335.407 3.596 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000594733970 1033508316 /nfs/dbraw/zinc/50/83/16/1033508316.db2.gz JWQSDQVXTKURDF-IBGZPJMESA-N 1 2 326.465 3.606 20 30 EHEDLO Cc1nc(C2([NH2+]Cc3ccc(C4(C#N)CC4)cc3)CCCCC2)no1 ZINC000594928233 1033549901 /nfs/dbraw/zinc/54/99/01/1033549901.db2.gz UBGPEKHKGOSNCO-UHFFFAOYSA-N 1 2 336.439 3.882 20 30 EHEDLO Cc1cc(OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N)c(C(C)C)cc1Cl ZINC000608784810 1033887620 /nfs/dbraw/zinc/88/76/20/1033887620.db2.gz VHPYYHJLLXTHOG-HIFRSBDPSA-N 1 2 338.879 3.603 20 30 EHEDLO Cc1cc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c(C(C)C)cc1Cl ZINC000608784810 1033887637 /nfs/dbraw/zinc/88/76/37/1033887637.db2.gz VHPYYHJLLXTHOG-HIFRSBDPSA-N 1 2 338.879 3.603 20 30 EHEDLO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)cs2)c1 ZINC000595609962 1033922038 /nfs/dbraw/zinc/92/20/38/1033922038.db2.gz QYGCZUDHUNMPEP-AWEZNQCLSA-N 1 2 327.453 3.944 20 30 EHEDLO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)cs2)c1 ZINC000595609962 1033922046 /nfs/dbraw/zinc/92/20/46/1033922046.db2.gz QYGCZUDHUNMPEP-AWEZNQCLSA-N 1 2 327.453 3.944 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595612399 1033923839 /nfs/dbraw/zinc/92/38/39/1033923839.db2.gz WEIPWWPJWMJQAO-QWHCGFSZSA-N 1 2 339.361 3.658 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595612399 1033923851 /nfs/dbraw/zinc/92/38/51/1033923851.db2.gz WEIPWWPJWMJQAO-QWHCGFSZSA-N 1 2 339.361 3.658 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000595616076 1033927141 /nfs/dbraw/zinc/92/71/41/1033927141.db2.gz OSEHEYQOCVEFSJ-IBGZPJMESA-N 1 2 347.462 3.842 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000595616076 1033927153 /nfs/dbraw/zinc/92/71/53/1033927153.db2.gz OSEHEYQOCVEFSJ-IBGZPJMESA-N 1 2 347.462 3.842 20 30 EHEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@@H](CC#N)C1 ZINC000596329439 1034173695 /nfs/dbraw/zinc/17/36/95/1034173695.db2.gz DZYPQJDCHTXQFU-HNNXBMFYSA-N 1 2 337.423 3.850 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597229279 1034611088 /nfs/dbraw/zinc/61/10/88/1034611088.db2.gz KNHGFMMGWLKAPE-GOSISDBHSA-N 1 2 330.382 3.503 20 30 EHEDLO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597229279 1034611095 /nfs/dbraw/zinc/61/10/95/1034611095.db2.gz KNHGFMMGWLKAPE-GOSISDBHSA-N 1 2 330.382 3.503 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(CCC#N)CC1 ZINC000571674991 1035585988 /nfs/dbraw/zinc/58/59/88/1035585988.db2.gz MSTLGURFLKHPTM-GFCCVEGCSA-N 1 2 337.826 3.822 20 30 EHEDLO C=CC[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000186613531 1035673695 /nfs/dbraw/zinc/67/36/95/1035673695.db2.gz HXTVERYUMFXYDV-MJGOQNOKSA-N 1 2 337.467 3.561 20 30 EHEDLO Cc1ccnc(N2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)c1C#N ZINC000541273911 1036147654 /nfs/dbraw/zinc/14/76/54/1036147654.db2.gz PDWIJWFKYQJDJK-HNNXBMFYSA-N 1 2 340.858 3.798 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Br)[C@H]1[C@H]1CCCO1 ZINC000589272759 1036334645 /nfs/dbraw/zinc/33/46/45/1036334645.db2.gz VGVXYHCHEHFOSS-CVEARBPZSA-N 1 2 349.272 3.710 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Br)[C@H]1[C@H]1CCCO1 ZINC000589272759 1036334665 /nfs/dbraw/zinc/33/46/65/1036334665.db2.gz VGVXYHCHEHFOSS-CVEARBPZSA-N 1 2 349.272 3.710 20 30 EHEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CCC1 ZINC000191258306 1036355871 /nfs/dbraw/zinc/35/58/71/1036355871.db2.gz OJUJTHYOFNKUHS-KRWDZBQOSA-N 1 2 342.483 3.647 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000249735617 1036665198 /nfs/dbraw/zinc/66/51/98/1036665198.db2.gz VXGCRAHXNLFOHC-FUHWJXTLSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000249735617 1036665209 /nfs/dbraw/zinc/66/52/09/1036665209.db2.gz VXGCRAHXNLFOHC-FUHWJXTLSA-N 1 2 333.863 3.531 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC23CCC3)c1C#N ZINC000610433289 1036720921 /nfs/dbraw/zinc/72/09/21/1036720921.db2.gz DYQPFTZTZUBMCY-UHFFFAOYSA-N 1 2 340.471 3.659 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC23CCC3)c1C#N ZINC000610433289 1036720941 /nfs/dbraw/zinc/72/09/41/1036720941.db2.gz DYQPFTZTZUBMCY-UHFFFAOYSA-N 1 2 340.471 3.659 20 30 EHEDLO C[C@@H](c1ccccc1Br)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226949 1036730707 /nfs/dbraw/zinc/73/07/07/1036730707.db2.gz QCHISXMOEFSHMZ-LBPRGKRZSA-N 1 2 332.245 3.852 20 30 EHEDLO C[C@@H](c1ccccc1Br)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191226949 1036730726 /nfs/dbraw/zinc/73/07/26/1036730726.db2.gz QCHISXMOEFSHMZ-LBPRGKRZSA-N 1 2 332.245 3.852 20 30 EHEDLO N#Cc1cc(Br)ccc1NCCc1cn2ccccc2[nH+]1 ZINC000121835794 1036766712 /nfs/dbraw/zinc/76/67/12/1036766712.db2.gz NXYBHTOLYLNIIN-UHFFFAOYSA-N 1 2 341.212 3.623 20 30 EHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462340895 1036840857 /nfs/dbraw/zinc/84/08/57/1036840857.db2.gz NDDDQRGGSPCFEN-AWEZNQCLSA-N 1 2 330.391 3.999 20 30 EHEDLO COc1cc(F)c(C(C)=NNc2cc[nH+]c3ccccc23)cc1OC ZINC000760252730 1037001573 /nfs/dbraw/zinc/00/15/73/1037001573.db2.gz JXOHBIJJBFZYDW-UHFFFAOYSA-N 1 2 339.370 3.649 20 30 EHEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000029593765 1037104374 /nfs/dbraw/zinc/10/43/74/1037104374.db2.gz ISWQSUIBLIALIS-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376548808 1037578581 /nfs/dbraw/zinc/57/85/81/1037578581.db2.gz YSGBYJNBQXSSGE-NSHDSACASA-N 1 2 330.354 3.641 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376548808 1037578589 /nfs/dbraw/zinc/57/85/89/1037578589.db2.gz YSGBYJNBQXSSGE-NSHDSACASA-N 1 2 330.354 3.641 20 30 EHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000029856147 1037716781 /nfs/dbraw/zinc/71/67/81/1037716781.db2.gz WFFQISKJHAHHLV-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4cccc(F)c4)CCC3)o2)cc1 ZINC000592144686 1037866306 /nfs/dbraw/zinc/86/63/06/1037866306.db2.gz ILMITFWSKHNPKD-UHFFFAOYSA-N 1 2 348.381 3.916 20 30 EHEDLO C=CC(C)(C)CCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000913796179 1037882252 /nfs/dbraw/zinc/88/22/52/1037882252.db2.gz WENRSFBPGNWQQN-UHFFFAOYSA-N 1 2 340.471 3.717 20 30 EHEDLO Cc1cccn2c(/C=C3/COc4c(F)ccc(F)c4C3=O)c[nH+]c12 ZINC000181472452 1038421941 /nfs/dbraw/zinc/42/19/41/1038421941.db2.gz DYLKVLXRWVGXFQ-XFFZJAGNSA-N 1 2 326.302 3.580 20 30 EHEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000905786986 1039117011 /nfs/dbraw/zinc/11/70/11/1039117011.db2.gz VOGYRRQKHKOFAM-NSHDSACASA-N 1 2 332.201 3.728 20 30 EHEDLO C=CCc1cccc(C(C)C)c1NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907677734 1040127848 /nfs/dbraw/zinc/12/78/48/1040127848.db2.gz ROMCKIIWUIBKIJ-SAPNQHFASA-N 1 2 342.483 3.756 20 30 EHEDLO C=C1CC(C)(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000907810630 1040177815 /nfs/dbraw/zinc/17/78/15/1040177815.db2.gz PTBZTWQYMOGUDM-OAHLLOKOSA-N 1 2 327.472 3.787 20 30 EHEDLO C=C1CC(C)(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)C1 ZINC000907810630 1040177820 /nfs/dbraw/zinc/17/78/20/1040177820.db2.gz PTBZTWQYMOGUDM-OAHLLOKOSA-N 1 2 327.472 3.787 20 30 EHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162492964 1040263988 /nfs/dbraw/zinc/26/39/88/1040263988.db2.gz GVXRNPWJRNHUQP-UHFFFAOYSA-N 1 2 349.438 3.548 20 30 EHEDLO C#CCOc1cccc(OC(=O)[C@H](c2ccccc2)[NH+](CC)CC)c1 ZINC001125977952 1041727660 /nfs/dbraw/zinc/72/76/60/1041727660.db2.gz DQJMJXOLPGVLEF-FQEVSTJZSA-N 1 2 337.419 3.687 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000162854249 1042602075 /nfs/dbraw/zinc/60/20/75/1042602075.db2.gz DJQJVUZQDZRNII-UHFFFAOYSA-N 1 2 342.512 3.880 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000162854249 1042602078 /nfs/dbraw/zinc/60/20/78/1042602078.db2.gz DJQJVUZQDZRNII-UHFFFAOYSA-N 1 2 342.512 3.880 20 30 EHEDLO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000344153964 1043342694 /nfs/dbraw/zinc/34/26/94/1043342694.db2.gz YPBRUWZNYOAWLX-KUHUBIRLSA-N 1 2 334.398 3.871 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184988384 1126729608 /nfs/dbraw/zinc/72/96/08/1126729608.db2.gz LAPUKPROAGXRKO-GDBMZVCRSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184988384 1126729612 /nfs/dbraw/zinc/72/96/12/1126729612.db2.gz LAPUKPROAGXRKO-GDBMZVCRSA-N 1 2 343.500 3.740 20 30 EHEDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1C#N ZINC000282281249 1128487495 /nfs/dbraw/zinc/48/74/95/1128487495.db2.gz LBEAULWAPBYTLJ-SCLBCKFNSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1C#N ZINC000282281249 1128487496 /nfs/dbraw/zinc/48/74/96/1128487496.db2.gz LBEAULWAPBYTLJ-SCLBCKFNSA-N 1 2 328.437 3.590 20 30 EHEDLO C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1cccc(C#N)c1 ZINC000063518070 1128881889 /nfs/dbraw/zinc/88/18/89/1128881889.db2.gz CGLIFNIBYXGHFO-UHFFFAOYSA-N 1 2 342.446 3.865 20 30 EHEDLO C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1cccc(C#N)c1 ZINC000063518070 1128881891 /nfs/dbraw/zinc/88/18/91/1128881891.db2.gz CGLIFNIBYXGHFO-UHFFFAOYSA-N 1 2 342.446 3.865 20 30 EHEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000185171972 1120402464 /nfs/dbraw/zinc/40/24/64/1120402464.db2.gz ODHINFUWBIRFFH-UHFFFAOYSA-N 1 2 349.390 3.698 20 30 EHEDLO Cc1csc([C@H](C)[NH2+]Cc2cc(C#N)ccc2Br)n1 ZINC000191837694 1120698126 /nfs/dbraw/zinc/69/81/26/1120698126.db2.gz MWXTWODMCSWTCF-JTQLQIEISA-N 1 2 336.258 3.937 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000914569481 1120902684 /nfs/dbraw/zinc/90/26/84/1120902684.db2.gz VHQHRXKAHGJGJO-CQSZACIVSA-N 1 2 345.516 3.986 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@H](C)C(C)(C)C)c1=S ZINC000914569481 1120902686 /nfs/dbraw/zinc/90/26/86/1120902686.db2.gz VHQHRXKAHGJGJO-CQSZACIVSA-N 1 2 345.516 3.986 20 30 EHEDLO FC(F)(F)c1cccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000914771914 1120981682 /nfs/dbraw/zinc/98/16/82/1120981682.db2.gz BXHQNINYVXROAW-UHFFFAOYSA-N 1 2 335.333 3.542 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccccc2C)CC1 ZINC000544529855 1122398668 /nfs/dbraw/zinc/39/86/68/1122398668.db2.gz SHSIYKOBCGRDSW-NRFANRHFSA-N 1 2 348.446 3.960 20 30 EHEDLO COc1ccc(O)c(/C=[NH+]/CCCCOCCc2ccccc2)c1 ZINC000917556798 1122636809 /nfs/dbraw/zinc/63/68/09/1122636809.db2.gz NABACHLVOPIAAA-LTGZKZEYSA-N 1 2 327.424 3.859 20 30 EHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000557042406 1123281458 /nfs/dbraw/zinc/28/14/58/1123281458.db2.gz QSUZPFGVBWSCAV-GFCCVEGCSA-N 1 2 328.334 3.586 20 30 EHEDLO CC(C)[C@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000920419345 1123366804 /nfs/dbraw/zinc/36/68/04/1123366804.db2.gz ZCOLNTDDKQGAEO-UKRRQHHQSA-N 1 2 327.453 3.593 20 30 EHEDLO CC(C)[C@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000920419345 1123366806 /nfs/dbraw/zinc/36/68/06/1123366806.db2.gz ZCOLNTDDKQGAEO-UKRRQHHQSA-N 1 2 327.453 3.593 20 30 EHEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000617043034 1124079625 /nfs/dbraw/zinc/07/96/25/1124079625.db2.gz YTIYVNDENPXQFF-ICSRJNTNSA-N 1 2 337.467 3.725 20 30 EHEDLO N#CCCCOc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000922526599 1129562401 /nfs/dbraw/zinc/56/24/01/1129562401.db2.gz SBPNGASFSXMEOE-AZUAARDMSA-N 1 2 340.398 3.931 20 30 EHEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(Br)cn1 ZINC000428986898 1129668381 /nfs/dbraw/zinc/66/83/81/1129668381.db2.gz QTEHSQCALJZMND-SNVBAGLBSA-N 1 2 334.192 3.706 20 30 EHEDLO CN(CCCn1cc[nH+]c1)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000133020990 1129928350 /nfs/dbraw/zinc/92/83/50/1129928350.db2.gz CJEPHQPOLMMZAG-UHFFFAOYSA-N 1 2 343.793 3.622 20 30 EHEDLO Cc1ccc(C#N)cc1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000058301151 1129938472 /nfs/dbraw/zinc/93/84/72/1129938472.db2.gz JOGAQDOGWZQLQE-RMKNXTFCSA-N 1 2 328.375 3.704 20 30 EHEDLO CC[N@H+](CC(=O)Nc1ccccc1C(C)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000171629366 1130074278 /nfs/dbraw/zinc/07/42/78/1130074278.db2.gz VEMAIQIIFJVVJW-HNNXBMFYSA-N 1 2 349.434 3.782 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1ccccc1C(C)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000171629366 1130074284 /nfs/dbraw/zinc/07/42/84/1130074284.db2.gz VEMAIQIIFJVVJW-HNNXBMFYSA-N 1 2 349.434 3.782 20 30 EHEDLO Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000174864948 1130389901 /nfs/dbraw/zinc/38/99/01/1130389901.db2.gz UXJBOYHHSCWWBB-KRWDZBQOSA-N 1 2 348.450 3.777 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000730095428 1130674770 /nfs/dbraw/zinc/67/47/70/1130674770.db2.gz BNMVEOWDWMIOOK-FQEVSTJZSA-N 1 2 334.419 3.823 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000730095428 1130674774 /nfs/dbraw/zinc/67/47/74/1130674774.db2.gz BNMVEOWDWMIOOK-FQEVSTJZSA-N 1 2 334.419 3.823 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCCCC2)CC1 ZINC000739911689 1131517073 /nfs/dbraw/zinc/51/70/73/1131517073.db2.gz AHJDUCLHVSUFGC-GOSISDBHSA-N 1 2 326.440 3.819 20 30 EHEDLO Cc1c(C(=O)/C=C\c2c[nH+]c3ccccn23)cnn1-c1ccccc1 ZINC000740765007 1131544115 /nfs/dbraw/zinc/54/41/15/1131544115.db2.gz NHHKKTLKEMJJBN-KHPPLWFESA-N 1 2 328.375 3.725 20 30 EHEDLO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000741793827 1131649555 /nfs/dbraw/zinc/64/95/55/1131649555.db2.gz ACZVWPADXAPYII-KFWWJZLASA-N 1 2 341.480 3.983 20 30 EHEDLO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000741793827 1131649558 /nfs/dbraw/zinc/64/95/58/1131649558.db2.gz ACZVWPADXAPYII-KFWWJZLASA-N 1 2 341.480 3.983 20 30 EHEDLO COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)[NH2+][C@H](C)CCCC#N ZINC001172487708 1131756744 /nfs/dbraw/zinc/75/67/44/1131756744.db2.gz IVWLKUCNMVNCSN-ABAIWWIYSA-N 1 2 343.254 3.749 20 30 EHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC2(CCCC2)CC1 ZINC001172728923 1131827487 /nfs/dbraw/zinc/82/74/87/1131827487.db2.gz PGDCEPBGLUZPIR-IBGZPJMESA-N 1 2 340.467 3.735 20 30 EHEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC(Cc2ccccc2)CC1)C(=O)OCC ZINC001172819456 1131850909 /nfs/dbraw/zinc/85/09/09/1131850909.db2.gz ISFJTAOSNVIKJA-GTECDBCCSA-N 1 2 327.468 3.885 20 30 EHEDLO C[C@@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173334629 1132051829 /nfs/dbraw/zinc/05/18/29/1132051829.db2.gz ZSIKBOJTRFITOQ-KLHKWILBSA-N 1 2 342.487 3.659 20 30 EHEDLO C[C@@H]1c2ncc(COCC3CC3)n2CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173334629 1132051834 /nfs/dbraw/zinc/05/18/34/1132051834.db2.gz ZSIKBOJTRFITOQ-KLHKWILBSA-N 1 2 342.487 3.659 20 30 EHEDLO COc1ccccc1[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1nnc(C)o1 ZINC001173594008 1132099998 /nfs/dbraw/zinc/09/99/98/1132099998.db2.gz ZORMWBCOALVSSL-KGYZHSKHSA-N 1 2 340.427 3.538 20 30 EHEDLO Nc1ccccc1C(NO)=[NH+]c1ccccc1OCc1ccccc1 ZINC001174025503 1132218026 /nfs/dbraw/zinc/21/80/26/1132218026.db2.gz FIQCILOSBQSJAM-UHFFFAOYSA-N 1 2 333.391 3.905 20 30 EHEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CCCC1 ZINC000746387173 1132506106 /nfs/dbraw/zinc/50/61/06/1132506106.db2.gz GWJAXYIMEXUVAA-AWEZNQCLSA-N 1 2 327.453 3.595 20 30 EHEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CCCC1 ZINC000746387173 1132506111 /nfs/dbraw/zinc/50/61/11/1132506111.db2.gz GWJAXYIMEXUVAA-AWEZNQCLSA-N 1 2 327.453 3.595 20 30 EHEDLO N#Cc1sc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc1Cl ZINC000804319178 1132733397 /nfs/dbraw/zinc/73/33/97/1132733397.db2.gz KIDBBEAFEIXQCM-QPJJXVBHSA-N 1 2 344.871 3.504 20 30 EHEDLO N#Cc1ccc(Nc2c[nH+]c(N)cc2C(F)(F)F)c2cccnc12 ZINC001175717158 1132742910 /nfs/dbraw/zinc/74/29/10/1132742910.db2.gz PWSSIOAGGIOMRJ-UHFFFAOYSA-N 1 2 329.285 3.846 20 30 EHEDLO C=CCN(C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC001176964070 1133016189 /nfs/dbraw/zinc/01/61/89/1133016189.db2.gz CZZULFPIHDOPRV-QGZVFWFLSA-N 1 2 327.472 3.645 20 30 EHEDLO CC/C=C\CCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000768928162 1133205204 /nfs/dbraw/zinc/20/52/04/1133205204.db2.gz WSBUWGRAQHMZMV-ARJAWSKDSA-N 1 2 325.412 3.654 20 30 EHEDLO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 ZINC001180671719 1133399588 /nfs/dbraw/zinc/39/95/88/1133399588.db2.gz BUOAMEJEQDBWLZ-CZUORRHYSA-N 1 2 349.500 3.549 20 30 EHEDLO CC(=O)/C=C(/C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182245028 1133599316 /nfs/dbraw/zinc/59/93/16/1133599316.db2.gz RVRICNWNVYCLLZ-SWNWVQGVSA-N 1 2 348.874 3.866 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#N)cc1 ZINC001182797441 1133729009 /nfs/dbraw/zinc/72/90/09/1133729009.db2.gz GWRSKZXKFMMVOJ-HNNXBMFYSA-N 1 2 330.391 3.545 20 30 EHEDLO C[C@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678379 1133996199 /nfs/dbraw/zinc/99/61/99/1133996199.db2.gz RCDFFOBEOXHMEC-OLZOCXBDSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678379 1133996205 /nfs/dbraw/zinc/99/62/05/1133996205.db2.gz RCDFFOBEOXHMEC-OLZOCXBDSA-N 1 2 327.453 3.593 20 30 EHEDLO COc1ncc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1Cl ZINC000789155560 1134230969 /nfs/dbraw/zinc/23/09/69/1134230969.db2.gz CBZRQNPNOHLPMX-PLNGDYQASA-N 1 2 327.771 3.596 20 30 EHEDLO Cc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1F ZINC001187957418 1134405025 /nfs/dbraw/zinc/40/50/25/1134405025.db2.gz NQBXZUXUNFRTTD-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO Cc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1F ZINC001187957418 1134405026 /nfs/dbraw/zinc/40/50/26/1134405026.db2.gz NQBXZUXUNFRTTD-UHFFFAOYSA-N 1 2 344.415 3.699 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000791646542 1134584865 /nfs/dbraw/zinc/58/48/65/1134584865.db2.gz RYYJVYJWOJHGRF-FQEVSTJZSA-N 1 2 334.419 3.656 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000791646542 1134584868 /nfs/dbraw/zinc/58/48/68/1134584868.db2.gz RYYJVYJWOJHGRF-FQEVSTJZSA-N 1 2 334.419 3.656 20 30 EHEDLO Fc1cc(Br)cn2c(NCC#Cc3ccccc3)c[nH+]c12 ZINC001170428973 1134893215 /nfs/dbraw/zinc/89/32/15/1134893215.db2.gz FKXRJZGLDBOWLN-UHFFFAOYSA-N 1 2 344.187 3.700 20 30 EHEDLO C=CCOc1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000804775003 1135188384 /nfs/dbraw/zinc/18/83/84/1135188384.db2.gz YKZHIRBLMNFSLM-UHFFFAOYSA-N 1 2 337.427 3.758 20 30 EHEDLO C=CCCCCCCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000804981274 1135223922 /nfs/dbraw/zinc/22/39/22/1135223922.db2.gz SXOKCYMMCBPESV-UHFFFAOYSA-N 1 2 326.444 3.808 20 30 EHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc(C(C)(C)C#N)nc2)c1 ZINC001194887891 1135342551 /nfs/dbraw/zinc/34/25/51/1135342551.db2.gz PCKAHNUTBCUOAY-UHFFFAOYSA-N 1 2 345.406 3.536 20 30 EHEDLO C#CCOc1ccccc1C[NH2+][C@H](COC)c1cccc(Cl)c1F ZINC000806146089 1135401087 /nfs/dbraw/zinc/40/10/87/1135401087.db2.gz JWBKDSZMKRQPPS-QGZVFWFLSA-N 1 2 347.817 3.968 20 30 EHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1F ZINC001195623255 1135443931 /nfs/dbraw/zinc/44/39/31/1135443931.db2.gz XLQUBDSLAKPPKS-QGZVFWFLSA-N 1 2 336.370 3.988 20 30 EHEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 ZINC000775791082 1135743269 /nfs/dbraw/zinc/74/32/69/1135743269.db2.gz KYJPNVJXIWKKQQ-RCBQFDQVSA-N 1 2 330.815 3.826 20 30 EHEDLO Cc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1C#N ZINC000809303352 1135818011 /nfs/dbraw/zinc/81/80/11/1135818011.db2.gz UWIFFJGQUMUNHS-UHFFFAOYSA-N 1 2 341.374 3.829 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(O)cc(C#N)c3)c2)[nH+]c1C ZINC000809622952 1135862073 /nfs/dbraw/zinc/86/20/73/1135862073.db2.gz ONKDFSAXAQENEL-UHFFFAOYSA-N 1 2 332.363 3.523 20 30 EHEDLO COc1cc(Nc2ccc(N)[nH+]c2)c(C#N)cc1OCc1ccccc1 ZINC001201291964 1136001854 /nfs/dbraw/zinc/00/18/54/1136001854.db2.gz QXXVYMPQDMYGFX-UHFFFAOYSA-N 1 2 346.390 3.867 20 30 EHEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170686413 1136247369 /nfs/dbraw/zinc/24/73/69/1136247369.db2.gz ZOIXHSHVVZZTFA-QGZVFWFLSA-N 1 2 327.378 3.633 20 30 EHEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170686413 1136247374 /nfs/dbraw/zinc/24/73/74/1136247374.db2.gz ZOIXHSHVVZZTFA-QGZVFWFLSA-N 1 2 327.378 3.633 20 30 EHEDLO Cc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067213 1136283443 /nfs/dbraw/zinc/28/34/43/1136283443.db2.gz XJODBVFAOHQSPJ-ZDUSSCGKSA-N 1 2 345.830 3.507 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000852327129 1136449126 /nfs/dbraw/zinc/44/91/26/1136449126.db2.gz RQZJTYVDKWOMEH-QFIPXVFZSA-N 1 2 349.478 3.588 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000852327129 1136449131 /nfs/dbraw/zinc/44/91/31/1136449131.db2.gz RQZJTYVDKWOMEH-QFIPXVFZSA-N 1 2 349.478 3.588 20 30 EHEDLO Cc1ccccc1OCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329252 1136449372 /nfs/dbraw/zinc/44/93/72/1136449372.db2.gz WYXIGAPIJFGGON-OAQYLSRUSA-N 1 2 335.451 3.716 20 30 EHEDLO Cc1ccccc1OCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329252 1136449374 /nfs/dbraw/zinc/44/93/74/1136449374.db2.gz WYXIGAPIJFGGON-OAQYLSRUSA-N 1 2 335.451 3.716 20 30 EHEDLO OC1CCN(c2ccc(C=[NH+]Nc3cc(F)cc(Cl)c3)cc2)CC1 ZINC000853396006 1136530343 /nfs/dbraw/zinc/53/03/43/1136530343.db2.gz RVFRKUQAQYZVQQ-UHFFFAOYSA-N 1 2 347.821 3.886 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc(C2CC2)no1 ZINC000113356773 1136697922 /nfs/dbraw/zinc/69/79/22/1136697922.db2.gz GMLFWHRXFPAKOZ-SUMWQHHRSA-N 1 2 340.427 3.725 20 30 EHEDLO CCCCCCCCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001136120758 1136861892 /nfs/dbraw/zinc/86/18/92/1136861892.db2.gz FFHMVSNXWBAQKY-UHFFFAOYSA-N 1 2 332.488 3.787 20 30 EHEDLO Cc1cc(NC(=O)/C=C/c2ccccc2C#N)ccc1-n1cc[nH+]c1 ZINC001143934735 1137218333 /nfs/dbraw/zinc/21/83/33/1137218333.db2.gz ZFZOCDASZXGTIP-RMKNXTFCSA-N 1 2 328.375 3.704 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CC)CC2CCC2)c1=S ZINC000794687433 1137226503 /nfs/dbraw/zinc/22/65/03/1137226503.db2.gz IQDWCMVKHVGHQU-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CC)CC2CCC2)c1=S ZINC000794687433 1137226505 /nfs/dbraw/zinc/22/65/05/1137226505.db2.gz IQDWCMVKHVGHQU-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO CC(C)(C)c1cn(CC(=O)c2cn(CCC#N)c3ccccc23)c[nH+]1 ZINC000865375880 1137278427 /nfs/dbraw/zinc/27/84/27/1137278427.db2.gz OVQRFCCDGCUFBO-UHFFFAOYSA-N 1 2 334.423 3.932 20 30 EHEDLO C[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccc(OCC#N)cc1 ZINC000866295086 1137343366 /nfs/dbraw/zinc/34/33/66/1137343366.db2.gz RMLJUHPXTNYJQD-IRWQIABSSA-N 1 2 326.371 3.711 20 30 EHEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@H](O)c1c(F)cccc1F ZINC000866303100 1137343667 /nfs/dbraw/zinc/34/36/67/1137343667.db2.gz NRHLWJHYSHAXAA-UTLVKMTRSA-N 1 2 346.377 3.705 20 30 EHEDLO C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000866356172 1137348913 /nfs/dbraw/zinc/34/89/13/1137348913.db2.gz JPKSXWZKUXEFSC-SJCJKPOMSA-N 1 2 330.815 3.692 20 30 EHEDLO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866362895 1137349405 /nfs/dbraw/zinc/34/94/05/1137349405.db2.gz INOPHJFPEULZQY-KBPBESRZSA-N 1 2 347.459 3.608 20 30 EHEDLO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866362897 1137349421 /nfs/dbraw/zinc/34/94/21/1137349421.db2.gz INOPHJFPEULZQY-KGLIPLIRSA-N 1 2 347.459 3.608 20 30 EHEDLO C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1cccc(C#N)c1O ZINC000866363247 1137349752 /nfs/dbraw/zinc/34/97/52/1137349752.db2.gz KSKSXVBPLRIABS-LLVKDONJSA-N 1 2 335.329 3.571 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C(C)C)ccc2OC)n1 ZINC000846878815 1137373062 /nfs/dbraw/zinc/37/30/62/1137373062.db2.gz GMTIJLPQUHNKOS-UHFFFAOYSA-N 1 2 325.456 3.670 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C(C)C)ccc2OC)n1 ZINC000846878815 1137373064 /nfs/dbraw/zinc/37/30/64/1137373064.db2.gz GMTIJLPQUHNKOS-UHFFFAOYSA-N 1 2 325.456 3.670 20 30 EHEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000867627998 1137382831 /nfs/dbraw/zinc/38/28/31/1137382831.db2.gz NHRKBZBXJHGMRW-UHFFFAOYSA-N 1 2 349.843 3.602 20 30 EHEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171461523 1137490633 /nfs/dbraw/zinc/49/06/33/1137490633.db2.gz XKCTUEPSTPRWBC-YJBOKZPZSA-N 1 2 337.410 3.556 20 30 EHEDLO CC(C)C[C@](C)(C#N)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171884813 1137516774 /nfs/dbraw/zinc/51/67/74/1137516774.db2.gz BIUBFSKAJAHZIC-UYAOXDASSA-N 1 2 327.472 3.599 20 30 EHEDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000795177323 1137545833 /nfs/dbraw/zinc/54/58/33/1137545833.db2.gz LINHMFBDJSGGEZ-QGZVFWFLSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000795177323 1137545835 /nfs/dbraw/zinc/54/58/35/1137545835.db2.gz LINHMFBDJSGGEZ-QGZVFWFLSA-N 1 2 339.439 3.664 20 30 EHEDLO CSc1nnc(SC)n1[NH+]=C[C@H](C)c1cc(F)cc(F)c1 ZINC000872418072 1137579870 /nfs/dbraw/zinc/57/98/70/1137579870.db2.gz ZXEHXTKKBOMOIM-QMMMGPOBSA-N 1 2 328.413 3.638 20 30 EHEDLO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)CCO2 ZINC000877416716 1137675910 /nfs/dbraw/zinc/67/59/10/1137675910.db2.gz KUSZMFFQCFZTHT-MRXNPFEDSA-N 1 2 343.814 3.619 20 30 EHEDLO C#CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000878001694 1137699043 /nfs/dbraw/zinc/69/90/43/1137699043.db2.gz YLJRWRYWOPMZBA-JOCHJYFZSA-N 1 2 348.421 3.702 20 30 EHEDLO C#CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(F)cc1 ZINC000878001694 1137699044 /nfs/dbraw/zinc/69/90/44/1137699044.db2.gz YLJRWRYWOPMZBA-JOCHJYFZSA-N 1 2 348.421 3.702 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000331479142 1137909939 /nfs/dbraw/zinc/90/99/39/1137909939.db2.gz HWDCOONAOAMNMK-GOSISDBHSA-N 1 2 337.423 3.852 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000331479142 1137909940 /nfs/dbraw/zinc/90/99/40/1137909940.db2.gz HWDCOONAOAMNMK-GOSISDBHSA-N 1 2 337.423 3.852 20 30 EHEDLO C=CCn1ncc2ccc(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)cc21 ZINC000885572303 1138009394 /nfs/dbraw/zinc/00/93/94/1138009394.db2.gz BPTMHQCLWPCYMR-GOSISDBHSA-N 1 2 337.427 3.645 20 30 EHEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)cc(Br)c1OC ZINC000093090821 1138234316 /nfs/dbraw/zinc/23/43/16/1138234316.db2.gz WBXXMMHFKWARQT-LLVKDONJSA-N 1 2 341.249 3.590 20 30 EHEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)cc(Br)c1OC ZINC000093090821 1138234317 /nfs/dbraw/zinc/23/43/17/1138234317.db2.gz WBXXMMHFKWARQT-LLVKDONJSA-N 1 2 341.249 3.590 20 30 EHEDLO OC1(C(F)(F)F)CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000136863076 1138819162 /nfs/dbraw/zinc/81/91/62/1138819162.db2.gz TUUJGCREJMTXIQ-UHFFFAOYSA-N 1 2 345.258 3.734 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2cccnc2)C2CC2)c(OC(F)F)c1 ZINC000357380466 1139682141 /nfs/dbraw/zinc/68/21/41/1139682141.db2.gz IBFGRAWTIRKFRU-UHFFFAOYSA-N 1 2 329.350 3.719 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)c(OC(F)F)c1 ZINC000357380466 1139682146 /nfs/dbraw/zinc/68/21/46/1139682146.db2.gz IBFGRAWTIRKFRU-UHFFFAOYSA-N 1 2 329.350 3.719 20 30 EHEDLO COc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1OCCCC#N ZINC000179568598 1139765341 /nfs/dbraw/zinc/76/53/41/1139765341.db2.gz SITNLLAJHDALES-MRXNPFEDSA-N 1 2 339.439 3.756 20 30 EHEDLO COc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1OCCCC#N ZINC000179568598 1139765348 /nfs/dbraw/zinc/76/53/48/1139765348.db2.gz SITNLLAJHDALES-MRXNPFEDSA-N 1 2 339.439 3.756 20 30 EHEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)c(C#N)c1C ZINC000181742751 1139927268 /nfs/dbraw/zinc/92/72/68/1139927268.db2.gz OLORVNRQOJFKOW-JTQLQIEISA-N 1 2 349.793 3.850 20 30 EHEDLO C=CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000186418418 1140203494 /nfs/dbraw/zinc/20/34/94/1140203494.db2.gz LTAAUAPBAVGFSO-LJQANCHMSA-N 1 2 335.451 3.658 20 30 EHEDLO C#CCCOc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1 ZINC000267647324 1140816352 /nfs/dbraw/zinc/81/63/52/1140816352.db2.gz SOMRRPQHYRUMQW-CQSZACIVSA-N 1 2 330.453 3.542 20 30 EHEDLO N#CCCC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339229997 1141535035 /nfs/dbraw/zinc/53/50/35/1141535035.db2.gz CXRMNFQCRHKPSR-QGZVFWFLSA-N 1 2 325.368 3.825 20 30 EHEDLO N#Cc1ccc(Cl)cc1NC(=O)CSc1[nH+]cc2ccccn21 ZINC000097602114 219040042 /nfs/dbraw/zinc/04/00/42/219040042.db2.gz SZNDWIQOPMRFQU-UHFFFAOYSA-N 1 2 342.811 3.590 20 30 EHEDLO C=CC[NH+]1CCN(c2cnc(Cl)nc2Oc2cccc(C)c2)CC1 ZINC001165034985 721873013 /nfs/dbraw/zinc/87/30/13/721873013.db2.gz RPABOFXWOCRQMK-UHFFFAOYSA-N 1 2 344.846 3.539 20 30 EHEDLO C=CCCCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000274569189 1014248297 /nfs/dbraw/zinc/24/82/97/1014248297.db2.gz HBMKZECNZDSJBT-CALCHBBNSA-N 1 2 345.487 3.774 20 30 EHEDLO C=CCCCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000274569189 1014248306 /nfs/dbraw/zinc/24/83/06/1014248306.db2.gz HBMKZECNZDSJBT-CALCHBBNSA-N 1 2 345.487 3.774 20 30 EHEDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000430193352 1014760370 /nfs/dbraw/zinc/76/03/70/1014760370.db2.gz DQOOWJPLQROZIV-HNNXBMFYSA-N 1 2 342.361 3.597 20 30 EHEDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000430193352 1014760377 /nfs/dbraw/zinc/76/03/77/1014760377.db2.gz DQOOWJPLQROZIV-HNNXBMFYSA-N 1 2 342.361 3.597 20 30 EHEDLO C#C[C@H](C)OC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000780385574 1017034437 /nfs/dbraw/zinc/03/44/37/1017034437.db2.gz ROXORQDAAFBNQA-SWLSCSKDSA-N 1 2 327.346 3.653 20 30 EHEDLO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(F)cc1F ZINC000537114589 1032525970 /nfs/dbraw/zinc/52/59/70/1032525970.db2.gz ZKMLZXUFHUBKRS-SFHVURJKSA-N 1 2 344.361 3.864 20 30 EHEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000119090186 1032565905 /nfs/dbraw/zinc/56/59/05/1032565905.db2.gz ISRCGIUZFGJKRJ-UHFFFAOYSA-N 1 2 336.483 3.982 20 30 EHEDLO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000119090186 1032565913 /nfs/dbraw/zinc/56/59/13/1032565913.db2.gz ISRCGIUZFGJKRJ-UHFFFAOYSA-N 1 2 336.483 3.982 20 30 EHEDLO Cc1cc(-c2ccc(CC#N)s2)ccc1OCC[NH+]1CCOCC1 ZINC000592984884 1032655559 /nfs/dbraw/zinc/65/55/59/1032655559.db2.gz BRNRZLQYFLYZLM-UHFFFAOYSA-N 1 2 342.464 3.501 20 30 EHEDLO CC(C)C[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)n1cc[nH+]c1 ZINC000602175796 1032691189 /nfs/dbraw/zinc/69/11/89/1032691189.db2.gz WSFKXBQBMQZPMB-GOSISDBHSA-N 1 2 336.439 3.538 20 30 EHEDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000377222484 1017480923 /nfs/dbraw/zinc/48/09/23/1017480923.db2.gz HNZUNKSFBBEHCU-LPHOPBHVSA-N 1 2 338.455 3.921 20 30 EHEDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000377222484 1017480931 /nfs/dbraw/zinc/48/09/31/1017480931.db2.gz HNZUNKSFBBEHCU-LPHOPBHVSA-N 1 2 338.455 3.921 20 30 EHEDLO C[C@@H]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000274686421 1018751960 /nfs/dbraw/zinc/75/19/60/1018751960.db2.gz KFCZOOOGFOQQAC-MLGOLLRUSA-N 1 2 334.345 3.861 20 30 EHEDLO C[C@@H](CC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1)n1cc[nH+]c1 ZINC001126390444 1019387757 /nfs/dbraw/zinc/38/77/57/1019387757.db2.gz TZDKDYGCRZNODA-AWEZNQCLSA-N 1 2 347.378 3.532 20 30 EHEDLO C=CC[S@@](=O)(=NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC000891383012 1020824124 /nfs/dbraw/zinc/82/41/24/1020824124.db2.gz VHGVQCBLPFPVPA-OSPHWJPCSA-N 1 2 345.468 3.710 20 30 EHEDLO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)c(F)c1 ZINC000439436194 1021436578 /nfs/dbraw/zinc/43/65/78/1021436578.db2.gz HSYPDNUUJRJCQN-QGZVFWFLSA-N 1 2 336.769 3.967 20 30 EHEDLO COc1cc2c(c(C[N@H+](C)Cc3cc(C#N)ccc3F)c1)O[C@@H](C)C2 ZINC000155419905 1021660534 /nfs/dbraw/zinc/66/05/34/1021660534.db2.gz QFUGIRNEFFORFD-ZDUSSCGKSA-N 1 2 340.398 3.661 20 30 EHEDLO COc1cc2c(c(C[N@@H+](C)Cc3cc(C#N)ccc3F)c1)O[C@@H](C)C2 ZINC000155419905 1021660544 /nfs/dbraw/zinc/66/05/44/1021660544.db2.gz QFUGIRNEFFORFD-ZDUSSCGKSA-N 1 2 340.398 3.661 20 30 EHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000134624051 1021689749 /nfs/dbraw/zinc/68/97/49/1021689749.db2.gz WKPWRFMVVBAMKK-DYVFJYSZSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000134624051 1021689760 /nfs/dbraw/zinc/68/97/60/1021689760.db2.gz WKPWRFMVVBAMKK-DYVFJYSZSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000134624025 1021698471 /nfs/dbraw/zinc/69/84/71/1021698471.db2.gz WKPWRFMVVBAMKK-SUMWQHHRSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000134624025 1021698476 /nfs/dbraw/zinc/69/84/76/1021698476.db2.gz WKPWRFMVVBAMKK-SUMWQHHRSA-N 1 2 347.434 3.575 20 30 EHEDLO N#CCc1ccc(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000008126624 1021730172 /nfs/dbraw/zinc/73/01/72/1021730172.db2.gz VOHSVOVEIJSDQA-BJMVGYQFSA-N 1 2 328.375 3.590 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cn(C)nc1C1CC1 ZINC000894417763 1022254078 /nfs/dbraw/zinc/25/40/78/1022254078.db2.gz WPNABEWPLYSNOW-UHFFFAOYSA-N 1 2 327.476 3.653 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cn(C)nc1C1CC1 ZINC000894417763 1022254091 /nfs/dbraw/zinc/25/40/91/1022254091.db2.gz WPNABEWPLYSNOW-UHFFFAOYSA-N 1 2 327.476 3.653 20 30 EHEDLO N#Cc1cccc(OCCC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000178314922 1022547717 /nfs/dbraw/zinc/54/77/17/1022547717.db2.gz HYKQKQGJUFLAES-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1cccc(OCCC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000178314922 1022547724 /nfs/dbraw/zinc/54/77/24/1022547724.db2.gz HYKQKQGJUFLAES-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCC(=O)[C@H](C)C3)n2)CC1 ZINC000328932834 1022550188 /nfs/dbraw/zinc/55/01/88/1022550188.db2.gz PIPCIOSXNXXIDY-KGLIPLIRSA-N 1 2 349.500 3.968 20 30 EHEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000330804182 1022680232 /nfs/dbraw/zinc/68/02/32/1022680232.db2.gz BJRXJVSYQKJSPI-PRHODGIISA-N 1 2 346.645 3.867 20 30 EHEDLO N#Cc1ccc(C2([NH2+][C@H](c3nnc[nH]3)C3CCCCC3)CCC2)cc1 ZINC000602709516 1033096193 /nfs/dbraw/zinc/09/61/93/1033096193.db2.gz KGWOFLMFIVHIRZ-SFHVURJKSA-N 1 2 335.455 3.967 20 30 EHEDLO Oc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000427010263 1023155729 /nfs/dbraw/zinc/15/57/29/1023155729.db2.gz VUZLOKQQUZUJTE-UHFFFAOYSA-N 1 2 331.337 3.821 20 30 EHEDLO Oc1ccc2c(c1)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000427010263 1023155734 /nfs/dbraw/zinc/15/57/34/1023155734.db2.gz VUZLOKQQUZUJTE-UHFFFAOYSA-N 1 2 331.337 3.821 20 30 EHEDLO Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NCCCn1cc[nH+]c1 ZINC001161688479 1023252465 /nfs/dbraw/zinc/25/24/65/1023252465.db2.gz UHOHHZGBISOYLH-UHFFFAOYSA-N 1 2 341.230 3.961 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]32)c1C#N ZINC000610762810 1023472818 /nfs/dbraw/zinc/47/28/18/1023472818.db2.gz ZABZNKOCHFSHGB-MAUKXSAKSA-N 1 2 340.471 3.515 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]32)c1C#N ZINC000610762810 1023472820 /nfs/dbraw/zinc/47/28/20/1023472820.db2.gz ZABZNKOCHFSHGB-MAUKXSAKSA-N 1 2 340.471 3.515 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1c2cccc3cccc(c23)C1=O ZINC000046477296 1033163863 /nfs/dbraw/zinc/16/38/63/1033163863.db2.gz JLFQLKCXMDOZLQ-UHFFFAOYSA-N 1 2 327.387 3.761 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1c2cccc3cccc(c23)C1=O ZINC000046477296 1033163874 /nfs/dbraw/zinc/16/38/74/1033163874.db2.gz JLFQLKCXMDOZLQ-UHFFFAOYSA-N 1 2 327.387 3.761 20 30 EHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC000025750991 1023989035 /nfs/dbraw/zinc/98/90/35/1023989035.db2.gz SJEBPGUEEUHRKF-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1C[C@]12CCOC2 ZINC000329661710 1024018055 /nfs/dbraw/zinc/01/80/55/1024018055.db2.gz OOOJGGBXHJSRIO-UZLBHIALSA-N 1 2 335.407 3.616 20 30 EHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)N[C@@H](C#N)Cc2ccccc2)c(C)c1 ZINC000610998805 1024018886 /nfs/dbraw/zinc/01/88/86/1024018886.db2.gz DWCVQEOINOIZIJ-IRLDBZIGSA-N 1 2 344.462 3.966 20 30 EHEDLO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N=c1[nH]cc(-c2ccccc2)s1 ZINC000329824411 1024209923 /nfs/dbraw/zinc/20/99/23/1024209923.db2.gz ZYGMZRZHYGKYEH-DOMZBBRYSA-N 1 2 342.468 3.619 20 30 EHEDLO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N=c1[nH]cc(-c2ccccc2)s1 ZINC000329824411 1024209939 /nfs/dbraw/zinc/20/99/39/1024209939.db2.gz ZYGMZRZHYGKYEH-DOMZBBRYSA-N 1 2 342.468 3.619 20 30 EHEDLO Cc1[nH+]c[nH]c1CNC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000330052859 1024304006 /nfs/dbraw/zinc/30/40/06/1024304006.db2.gz PRJNMMMDCGSKEW-UHFFFAOYSA-N 1 2 344.459 3.738 20 30 EHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330126426 1024327306 /nfs/dbraw/zinc/32/73/06/1024327306.db2.gz MIZWHBFCHIXLDO-ZWOKBUDYSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330126426 1024327322 /nfs/dbraw/zinc/32/73/22/1024327322.db2.gz MIZWHBFCHIXLDO-ZWOKBUDYSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc(C)c([C@@H]2CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000330182750 1024345601 /nfs/dbraw/zinc/34/56/01/1024345601.db2.gz HMZDXGCWDZJKKG-AEFFLSMTSA-N 1 2 338.455 3.566 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnc(C(=O)OCC)s1)Cc1ccccc1 ZINC000602821463 1033209154 /nfs/dbraw/zinc/20/91/54/1033209154.db2.gz NCDVEQVXCACYRC-UHFFFAOYSA-N 1 2 330.453 3.898 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnc(C(=O)OCC)s1)Cc1ccccc1 ZINC000602821463 1033209170 /nfs/dbraw/zinc/20/91/70/1033209170.db2.gz NCDVEQVXCACYRC-UHFFFAOYSA-N 1 2 330.453 3.898 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474217889 1024593251 /nfs/dbraw/zinc/59/32/51/1024593251.db2.gz MKXDHXGLSNGROX-KRWDZBQOSA-N 1 2 341.455 3.779 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000474217889 1024593255 /nfs/dbraw/zinc/59/32/55/1024593255.db2.gz MKXDHXGLSNGROX-KRWDZBQOSA-N 1 2 341.455 3.779 20 30 EHEDLO N#Cc1ccc(-c2noc([C@@H]3CCC[C@@H](c4ccccc4)[NH2+]3)n2)nc1 ZINC001211884789 1024656292 /nfs/dbraw/zinc/65/62/92/1024656292.db2.gz HURHFYDUECWIFY-RDJZCZTQSA-N 1 2 331.379 3.559 20 30 EHEDLO C#CCC1(O)CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000895669632 1024715047 /nfs/dbraw/zinc/71/50/47/1024715047.db2.gz IBONUDRYAYFSMK-UHFFFAOYSA-N 1 2 348.693 3.514 20 30 EHEDLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000895835833 1024902382 /nfs/dbraw/zinc/90/23/82/1024902382.db2.gz FXTZBFIKJOIZFE-LBPRGKRZSA-N 1 2 345.258 3.591 20 30 EHEDLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000895835833 1024902395 /nfs/dbraw/zinc/90/23/95/1024902395.db2.gz FXTZBFIKJOIZFE-LBPRGKRZSA-N 1 2 345.258 3.591 20 30 EHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)CCO1 ZINC000330337870 1024948667 /nfs/dbraw/zinc/94/86/67/1024948667.db2.gz UOHUHFZOJFEKEM-IFZNXGNFSA-N 1 2 343.471 3.669 20 30 EHEDLO C=CC[C@H](CC)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000281393752 1024995417 /nfs/dbraw/zinc/99/54/17/1024995417.db2.gz OJHMGSZPRGISEZ-WBVHZDCISA-N 1 2 331.460 3.556 20 30 EHEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1C#N ZINC000435688127 1025069267 /nfs/dbraw/zinc/06/92/67/1025069267.db2.gz MFGHMENLGMRONR-LJQANCHMSA-N 1 2 349.434 3.558 20 30 EHEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1C#N ZINC000435688127 1025069282 /nfs/dbraw/zinc/06/92/82/1025069282.db2.gz MFGHMENLGMRONR-LJQANCHMSA-N 1 2 349.434 3.558 20 30 EHEDLO N#CC1(CCC[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)CCOCC1 ZINC000366895211 1025131610 /nfs/dbraw/zinc/13/16/10/1025131610.db2.gz JMLIGRATGXDKMA-MRXNPFEDSA-N 1 2 344.459 3.575 20 30 EHEDLO N#CC1(CCC[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)CCOCC1 ZINC000366895211 1025131616 /nfs/dbraw/zinc/13/16/16/1025131616.db2.gz JMLIGRATGXDKMA-MRXNPFEDSA-N 1 2 344.459 3.575 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CC[C@@H](c2nc(CC)no2)C1 ZINC000896352922 1025376351 /nfs/dbraw/zinc/37/63/51/1025376351.db2.gz ZGQZKTNTSBQPJP-CABCVRRESA-N 1 2 340.427 3.567 20 30 EHEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329205618 1025664284 /nfs/dbraw/zinc/66/42/84/1025664284.db2.gz DLKAFFUZMRZIEI-DOMZBBRYSA-N 1 2 342.468 3.698 20 30 EHEDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000329205618 1025664289 /nfs/dbraw/zinc/66/42/89/1025664289.db2.gz DLKAFFUZMRZIEI-DOMZBBRYSA-N 1 2 342.468 3.698 20 30 EHEDLO C=C1CC[NH+]([C@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)CC1 ZINC000436401147 1025683532 /nfs/dbraw/zinc/68/35/32/1025683532.db2.gz NXOSHIKVVVEUQP-QGZVFWFLSA-N 1 2 326.440 3.969 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC(C)(C)[C@H]1C1CC1)C2 ZINC000329626250 1026102108 /nfs/dbraw/zinc/10/21/08/1026102108.db2.gz TWIJTEKXVFLDRK-WMLDXEAASA-N 1 2 344.503 3.530 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127797848 1026503588 /nfs/dbraw/zinc/50/35/88/1026503588.db2.gz COSZHOSRMPEIDJ-GFCCVEGCSA-N 1 2 345.805 3.810 20 30 EHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127797848 1026503593 /nfs/dbraw/zinc/50/35/93/1026503593.db2.gz COSZHOSRMPEIDJ-GFCCVEGCSA-N 1 2 345.805 3.810 20 30 EHEDLO C=C(C)CN(Cc1ccccc1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000548748688 1026869917 /nfs/dbraw/zinc/86/99/17/1026869917.db2.gz AECGRRAEBJYPLO-UHFFFAOYSA-N 1 2 333.435 3.790 20 30 EHEDLO CCOc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075615574 1027180355 /nfs/dbraw/zinc/18/03/55/1027180355.db2.gz YUBVAURTGIWYTB-UHFFFAOYSA-N 1 2 348.406 3.639 20 30 EHEDLO CCOc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075615574 1027180362 /nfs/dbraw/zinc/18/03/62/1027180362.db2.gz YUBVAURTGIWYTB-UHFFFAOYSA-N 1 2 348.406 3.639 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268303620 1027459068 /nfs/dbraw/zinc/45/90/68/1027459068.db2.gz YOIZXZLLMVSQDK-UGSOOPFHSA-N 1 2 349.413 3.838 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000026326563 1027708680 /nfs/dbraw/zinc/70/86/80/1027708680.db2.gz SFMNYAOYAMESOF-OAQYLSRUSA-N 1 2 347.462 3.744 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000026326563 1027708696 /nfs/dbraw/zinc/70/86/96/1027708696.db2.gz SFMNYAOYAMESOF-OAQYLSRUSA-N 1 2 347.462 3.744 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347342717 1027989864 /nfs/dbraw/zinc/98/98/64/1027989864.db2.gz FLWZYSNRCJMRSC-KDOFPFPSSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347342717 1027989878 /nfs/dbraw/zinc/98/98/78/1027989878.db2.gz FLWZYSNRCJMRSC-KDOFPFPSSA-N 1 2 342.439 3.698 20 30 EHEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000544393379 1028236086 /nfs/dbraw/zinc/23/60/86/1028236086.db2.gz MAXBYHQVXNEINO-YVMONPNESA-N 1 2 345.446 3.596 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cc2ccccc2[nH]c1=O ZINC000162251272 1029507333 /nfs/dbraw/zinc/50/73/33/1029507333.db2.gz GGFIZRBVJGPVQY-UHFFFAOYSA-N 1 2 334.379 3.630 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccn(-c2ccccc2)n1 ZINC000162230932 1029514556 /nfs/dbraw/zinc/51/45/56/1029514556.db2.gz DYPDWBXNHUMGNK-UHFFFAOYSA-N 1 2 333.395 3.562 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cnn(-c2ccccc2)c1 ZINC000162243673 1029517885 /nfs/dbraw/zinc/51/78/85/1029517885.db2.gz UEYKTLPMBMILAS-UHFFFAOYSA-N 1 2 333.395 3.562 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@H+](C[C@@H](C)C#N)C3CC3)o2)cc1 ZINC000481989942 1030150723 /nfs/dbraw/zinc/15/07/23/1030150723.db2.gz JXFWLPUXFIUEDX-AWEZNQCLSA-N 1 2 338.407 3.857 20 30 EHEDLO COC(=O)c1ccc(-c2ccc(C[N@@H+](C[C@@H](C)C#N)C3CC3)o2)cc1 ZINC000481989942 1030150728 /nfs/dbraw/zinc/15/07/28/1030150728.db2.gz JXFWLPUXFIUEDX-AWEZNQCLSA-N 1 2 338.407 3.857 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093457784 1030616706 /nfs/dbraw/zinc/61/67/06/1030616706.db2.gz RSWOGEPYSJXXSC-HXUWFJFHSA-N 1 2 325.408 3.531 20 30 EHEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093457784 1030616712 /nfs/dbraw/zinc/61/67/12/1030616712.db2.gz RSWOGEPYSJXXSC-HXUWFJFHSA-N 1 2 325.408 3.531 20 30 EHEDLO C=CCC(C)(C)c1noc([C@@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000904120738 1031756331 /nfs/dbraw/zinc/75/63/31/1031756331.db2.gz CKLGWAKWFGUDCT-LBPRGKRZSA-N 1 2 336.233 3.734 20 30 EHEDLO C=CCC(C)(C)c1noc([C@@H]([NH3+])c2ccccc2C(F)(F)F)n1 ZINC000904121173 1031757625 /nfs/dbraw/zinc/75/76/25/1031757625.db2.gz LBWQVKYMZNAJNA-LBPRGKRZSA-N 1 2 325.334 3.990 20 30 EHEDLO CN(C)c1[nH+]ccc2cc(NC(=O)NCC3(C#N)CCCC3)ccc21 ZINC000603020342 1033313396 /nfs/dbraw/zinc/31/33/96/1033313396.db2.gz GCENDCSWZPFYTK-UHFFFAOYSA-N 1 2 337.427 3.506 20 30 EHEDLO N#Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc2n1 ZINC000611932107 1033420651 /nfs/dbraw/zinc/42/06/51/1033420651.db2.gz MZLQYWRUGKLYSS-UHFFFAOYSA-N 1 2 345.450 4.000 20 30 EHEDLO COCC[N@H+](Cc1nsc2ccccc21)Cc1ccc(C#N)cc1 ZINC000595297304 1033721182 /nfs/dbraw/zinc/72/11/82/1033721182.db2.gz QVQYRFXVKUTLGG-UHFFFAOYSA-N 1 2 337.448 3.817 20 30 EHEDLO COCC[N@@H+](Cc1nsc2ccccc21)Cc1ccc(C#N)cc1 ZINC000595297304 1033721196 /nfs/dbraw/zinc/72/11/96/1033721196.db2.gz QVQYRFXVKUTLGG-UHFFFAOYSA-N 1 2 337.448 3.817 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000595443569 1033804924 /nfs/dbraw/zinc/80/49/24/1033804924.db2.gz VKYWEEUEDCTMSR-LJQANCHMSA-N 1 2 326.827 3.828 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000595443569 1033804930 /nfs/dbraw/zinc/80/49/30/1033804930.db2.gz VKYWEEUEDCTMSR-LJQANCHMSA-N 1 2 326.827 3.828 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3ccco3)CC2)c(C#N)c1C ZINC000595617959 1033903102 /nfs/dbraw/zinc/90/31/02/1033903102.db2.gz ZAIQMEOOCJDLIS-ZDUSSCGKSA-N 1 2 341.411 3.568 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614918 1033927292 /nfs/dbraw/zinc/92/72/92/1033927292.db2.gz JPNISZNUXHEJDP-ZIAGYGMSSA-N 1 2 349.862 3.610 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614918 1033927310 /nfs/dbraw/zinc/92/73/10/1033927310.db2.gz JPNISZNUXHEJDP-ZIAGYGMSSA-N 1 2 349.862 3.610 20 30 EHEDLO N#Cc1nc(N2CC[NH+](C/C=C\c3ccccc3)CC2)sc1Cl ZINC000596056119 1034056699 /nfs/dbraw/zinc/05/66/99/1034056699.db2.gz QQXHYWRBESWDKM-DAXSKMNVSA-N 1 2 344.871 3.504 20 30 EHEDLO C=CC(C)(C)CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000456112865 1034123817 /nfs/dbraw/zinc/12/38/17/1034123817.db2.gz FBSDYZGVWKTUHX-UHFFFAOYSA-N 1 2 337.467 3.555 20 30 EHEDLO C=CC(C)(C)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000456112865 1034123824 /nfs/dbraw/zinc/12/38/24/1034123824.db2.gz FBSDYZGVWKTUHX-UHFFFAOYSA-N 1 2 337.467 3.555 20 30 EHEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC[C@H](CC#N)C1 ZINC000596329444 1034173345 /nfs/dbraw/zinc/17/33/45/1034173345.db2.gz DZYPQJDCHTXQFU-OAHLLOKOSA-N 1 2 337.423 3.850 20 30 EHEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000537618896 1034206364 /nfs/dbraw/zinc/20/63/64/1034206364.db2.gz PFEKJODKKAESPC-RDJZCZTQSA-N 1 2 332.469 3.564 20 30 EHEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cc(C#N)cs1 ZINC000537618896 1034206377 /nfs/dbraw/zinc/20/63/77/1034206377.db2.gz PFEKJODKKAESPC-RDJZCZTQSA-N 1 2 332.469 3.564 20 30 EHEDLO Cc1nc(N[C@H](C)c2ccc(C#N)cc2)c(Br)c(C)[nH+]1 ZINC000323131750 1034229002 /nfs/dbraw/zinc/22/90/02/1034229002.db2.gz YFYKWTUINJHCGS-SECBINFHSA-N 1 2 331.217 3.901 20 30 EHEDLO O=c1[nH]c2ccccc2cc1C=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000255775201 1034399770 /nfs/dbraw/zinc/39/97/70/1034399770.db2.gz OXZZPCJVYGGWDT-XKZIYDEJSA-N 1 2 328.375 3.745 20 30 EHEDLO COCC1(C#N)CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450515170 1034455012 /nfs/dbraw/zinc/45/50/12/1034455012.db2.gz GVYSQOVMZNBXRG-UHFFFAOYSA-N 1 2 333.794 3.784 20 30 EHEDLO C[C@]1(C#N)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000597231516 1034613958 /nfs/dbraw/zinc/61/39/58/1034613958.db2.gz YZYAZJTVBJBJMY-OAQYLSRUSA-N 1 2 343.434 3.670 20 30 EHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000597231516 1034613967 /nfs/dbraw/zinc/61/39/67/1034613967.db2.gz YZYAZJTVBJBJMY-OAQYLSRUSA-N 1 2 343.434 3.670 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000597241757 1034620566 /nfs/dbraw/zinc/62/05/66/1034620566.db2.gz GVCAPQITMXSTCO-CZUORRHYSA-N 1 2 338.373 3.783 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000597241757 1034620574 /nfs/dbraw/zinc/62/05/74/1034620574.db2.gz GVCAPQITMXSTCO-CZUORRHYSA-N 1 2 338.373 3.783 20 30 EHEDLO Cc1cccc(C)c1-c1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414124191 1035627800 /nfs/dbraw/zinc/62/78/00/1035627800.db2.gz KGMJMLJQABZBCE-LJQANCHMSA-N 1 2 338.451 3.556 20 30 EHEDLO Cc1cccc(C)c1-c1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414124191 1035627809 /nfs/dbraw/zinc/62/78/09/1035627809.db2.gz KGMJMLJQABZBCE-LJQANCHMSA-N 1 2 338.451 3.556 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)c1C#N ZINC000535208677 1036166528 /nfs/dbraw/zinc/16/65/28/1036166528.db2.gz YETTZHKQWZQLJM-KDOFPFPSSA-N 1 2 338.407 3.911 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)c1C#N ZINC000535208677 1036166535 /nfs/dbraw/zinc/16/65/35/1036166535.db2.gz YETTZHKQWZQLJM-KDOFPFPSSA-N 1 2 338.407 3.911 20 30 EHEDLO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000589990949 1036704499 /nfs/dbraw/zinc/70/44/99/1036704499.db2.gz SSJALMADBSGIAL-UHFFFAOYSA-N 1 2 346.352 3.771 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(C(C)(C)C)no1 ZINC000174659462 1036888922 /nfs/dbraw/zinc/88/89/22/1036888922.db2.gz BSRQXFQADXGJNA-CQSZACIVSA-N 1 2 341.459 3.568 20 30 EHEDLO C=CC[C@H](CC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000542139784 1037100041 /nfs/dbraw/zinc/10/00/41/1037100041.db2.gz AFBTWHBNVKZXSI-HKUYNNGSSA-N 1 2 340.471 3.895 20 30 EHEDLO CC[N@H+](Cc1nnc(C2CC2)n1C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000181136541 1037438425 /nfs/dbraw/zinc/43/84/25/1037438425.db2.gz KUVDBMSBSQZCAU-CQSZACIVSA-N 1 2 335.455 3.945 20 30 EHEDLO CC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000181136541 1037438431 /nfs/dbraw/zinc/43/84/31/1037438431.db2.gz KUVDBMSBSQZCAU-CQSZACIVSA-N 1 2 335.455 3.945 20 30 EHEDLO CC(C)(C)CN(CCC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000591818951 1037634695 /nfs/dbraw/zinc/63/46/95/1037634695.db2.gz VHQGXNYPFKXVHS-QGZVFWFLSA-N 1 2 338.455 3.720 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cncc(Br)c1)c1ccc(Cl)cc1 ZINC000491769324 1037661498 /nfs/dbraw/zinc/66/14/98/1037661498.db2.gz MTYPHKPQRNUIGR-HNNXBMFYSA-N 1 2 335.632 3.962 20 30 EHEDLO N#Cc1cnccc1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000592059659 1037819085 /nfs/dbraw/zinc/81/90/85/1037819085.db2.gz WSZBCTIRVWEXML-UHFFFAOYSA-N 1 2 342.240 3.880 20 30 EHEDLO N#Cc1cnccc1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000592059659 1037819103 /nfs/dbraw/zinc/81/91/03/1037819103.db2.gz WSZBCTIRVWEXML-UHFFFAOYSA-N 1 2 342.240 3.880 20 30 EHEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2OC)o1)c1ccccc1 ZINC000378502968 1038673511 /nfs/dbraw/zinc/67/35/11/1038673511.db2.gz NWASZBMHFDYFIZ-QGZVFWFLSA-N 1 2 333.391 3.599 20 30 EHEDLO COc1cc2c(cc1Cl)C[N@H+](Cc1ccc(C#N)c(OC)c1)CC2 ZINC000552141692 1039019853 /nfs/dbraw/zinc/01/98/53/1039019853.db2.gz QKJOCYUILIZSSP-UHFFFAOYSA-N 1 2 342.826 3.787 20 30 EHEDLO COc1cc2c(cc1Cl)C[N@@H+](Cc1ccc(C#N)c(OC)c1)CC2 ZINC000552141692 1039019875 /nfs/dbraw/zinc/01/98/75/1039019875.db2.gz QKJOCYUILIZSSP-UHFFFAOYSA-N 1 2 342.826 3.787 20 30 EHEDLO N#C[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC2CCC1CC2 ZINC000906348116 1039493850 /nfs/dbraw/zinc/49/38/50/1039493850.db2.gz BSNVUXSQEYBGBE-MHVYXZCWSA-N 1 2 338.386 3.670 20 30 EHEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000500836905 1039558005 /nfs/dbraw/zinc/55/80/05/1039558005.db2.gz GQWHNVUQPGUSJW-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO C=CCC[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000911881308 1039563098 /nfs/dbraw/zinc/56/30/98/1039563098.db2.gz ZZGCUXITZWMXHR-GOSISDBHSA-N 1 2 342.487 3.712 20 30 EHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000567516735 1040037581 /nfs/dbraw/zinc/03/75/81/1040037581.db2.gz HNBYHKIAJLQGDZ-QUCCMNQESA-N 1 2 327.472 3.706 20 30 EHEDLO COc1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)ccc1C#N ZINC000555364958 1040483074 /nfs/dbraw/zinc/48/30/74/1040483074.db2.gz CTXYDSDMRNWTQZ-IBGZPJMESA-N 1 2 328.362 3.777 20 30 EHEDLO COc1cc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)ccc1C#N ZINC000555364958 1040483077 /nfs/dbraw/zinc/48/30/77/1040483077.db2.gz CTXYDSDMRNWTQZ-IBGZPJMESA-N 1 2 328.362 3.777 20 30 EHEDLO C#Cc1cc(Nc2c(F)ccc(OCC)c2Br)cc[nH+]1 ZINC001211754217 1040593894 /nfs/dbraw/zinc/59/38/94/1040593894.db2.gz GTUWFAVKKVYXIQ-UHFFFAOYSA-N 1 2 335.176 3.529 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3c(Cl)nc4ccccn43)n2c1 ZINC000151428461 1040873740 /nfs/dbraw/zinc/87/37/40/1040873740.db2.gz DNXNAIDAYSIFCS-VOTSOKGWSA-N 1 2 336.782 3.840 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(C)cc1Br ZINC000662086497 1042504543 /nfs/dbraw/zinc/50/45/43/1042504543.db2.gz UFRJOMOYVVUGPW-OKILXGFUSA-N 1 2 349.272 3.879 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C)cc1Br ZINC000662086497 1042504547 /nfs/dbraw/zinc/50/45/47/1042504547.db2.gz UFRJOMOYVVUGPW-OKILXGFUSA-N 1 2 349.272 3.879 20 30 EHEDLO CC(C)C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000602095933 1042665102 /nfs/dbraw/zinc/66/51/02/1042665102.db2.gz GYYYQWBIGCPPEW-HOTGVXAUSA-N 1 2 330.819 3.505 20 30 EHEDLO C=CCC1(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCC1 ZINC000663535345 1042980661 /nfs/dbraw/zinc/98/06/61/1042980661.db2.gz XFDAEIPXDFPMKL-UHFFFAOYSA-N 1 2 338.455 3.620 20 30 EHEDLO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985628 1043024477 /nfs/dbraw/zinc/02/44/77/1043024477.db2.gz VSMHJZZEFDYDOY-UHFFFAOYSA-N 1 2 346.434 3.770 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000153916924 1125674924 /nfs/dbraw/zinc/67/49/24/1125674924.db2.gz UZKJZKYXMIKKAU-UHFFFAOYSA-N 1 2 326.444 3.760 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184984111 1126728900 /nfs/dbraw/zinc/72/89/00/1126728900.db2.gz XXJOVLMTMYVPNC-KGLIPLIRSA-N 1 2 332.473 3.938 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184984111 1126728902 /nfs/dbraw/zinc/72/89/02/1126728902.db2.gz XXJOVLMTMYVPNC-KGLIPLIRSA-N 1 2 332.473 3.938 20 30 EHEDLO CCOc1cccc(/C=[NH+]/CCc2nc3c(s2)CCCC3)c1O ZINC000765499334 1127624208 /nfs/dbraw/zinc/62/42/08/1127624208.db2.gz HUCPHKUTNTZXEQ-XDHOZWIPSA-N 1 2 330.453 3.788 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000542882497 1128776748 /nfs/dbraw/zinc/77/67/48/1128776748.db2.gz DGSOQHZQVCEFIF-UHFFFAOYSA-N 1 2 329.469 3.529 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000185522875 1120418251 /nfs/dbraw/zinc/41/82/51/1120418251.db2.gz PNHHJHBUVQQUSA-CABCVRRESA-N 1 2 336.426 3.648 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000185522875 1120418253 /nfs/dbraw/zinc/41/82/53/1120418253.db2.gz PNHHJHBUVQQUSA-CABCVRRESA-N 1 2 336.426 3.648 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000761760735 1120889158 /nfs/dbraw/zinc/88/91/58/1120889158.db2.gz LRYYPMOBQKRNPO-LJQANCHMSA-N 1 2 342.439 3.863 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCSc3ccc(F)cc3)CCO2)c1 ZINC000761760735 1120889163 /nfs/dbraw/zinc/88/91/63/1120889163.db2.gz LRYYPMOBQKRNPO-LJQANCHMSA-N 1 2 342.439 3.863 20 30 EHEDLO COc1cc(F)ccc1N[NH+]=C(C)c1ccc(N2CCOCC2)cc1 ZINC000761885117 1121002095 /nfs/dbraw/zinc/00/20/95/1121002095.db2.gz QJQJQOFDPNZXLC-UHFFFAOYSA-N 1 2 343.402 3.507 20 30 EHEDLO COc1cc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000282133117 1121899130 /nfs/dbraw/zinc/89/91/30/1121899130.db2.gz BMTNNYSPSLWUBR-IBGZPJMESA-N 1 2 346.434 3.791 20 30 EHEDLO COc1cc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000282133117 1121899136 /nfs/dbraw/zinc/89/91/36/1121899136.db2.gz BMTNNYSPSLWUBR-IBGZPJMESA-N 1 2 346.434 3.791 20 30 EHEDLO C=C(Br)C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496401644 1122073615 /nfs/dbraw/zinc/07/36/15/1122073615.db2.gz UNFWJSQKKRDQPT-GFCCVEGCSA-N 1 2 339.233 3.545 20 30 EHEDLO C=C(Br)C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496401644 1122073620 /nfs/dbraw/zinc/07/36/20/1122073620.db2.gz UNFWJSQKKRDQPT-GFCCVEGCSA-N 1 2 339.233 3.545 20 30 EHEDLO C=CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(C)C ZINC000916706765 1122325868 /nfs/dbraw/zinc/32/58/68/1122325868.db2.gz BYFSABYAHLMNNM-AWEZNQCLSA-N 1 2 336.505 3.803 20 30 EHEDLO C=CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(C)C ZINC000916706765 1122325874 /nfs/dbraw/zinc/32/58/74/1122325874.db2.gz BYFSABYAHLMNNM-AWEZNQCLSA-N 1 2 336.505 3.803 20 30 EHEDLO CC[C@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000127017820 1122456956 /nfs/dbraw/zinc/45/69/56/1122456956.db2.gz GFXOALNTRIMITO-MRXNPFEDSA-N 1 2 341.484 3.647 20 30 EHEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)[C@@H]1CCc2ccccc21 ZINC000917119544 1122514199 /nfs/dbraw/zinc/51/41/99/1122514199.db2.gz LHKWWQYERRSRGC-OAQYLSRUSA-N 1 2 332.447 3.865 20 30 EHEDLO C#CC[N@H+](CC(=O)Nc1cc(C)ccc1C)[C@@H]1CCc2ccccc21 ZINC000917119544 1122514202 /nfs/dbraw/zinc/51/42/02/1122514202.db2.gz LHKWWQYERRSRGC-OAQYLSRUSA-N 1 2 332.447 3.865 20 30 EHEDLO CCOc1ccc(/C=[NH+]\CCCc2ccc(OC)c(OC)c2)c(O)c1 ZINC000920832960 1123428881 /nfs/dbraw/zinc/42/88/81/1123428881.db2.gz ADSHYKITDUTFPK-STZFKDTASA-N 1 2 343.423 3.860 20 30 EHEDLO N#CCCCOc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000080374248 1123752592 /nfs/dbraw/zinc/75/25/92/1123752592.db2.gz RCDNGYZGFRFBHI-UHFFFAOYSA-N 1 2 346.390 3.807 20 30 EHEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000466442679 1129448736 /nfs/dbraw/zinc/44/87/36/1129448736.db2.gz WKTJQONMCULNDH-MJGOQNOKSA-N 1 2 325.456 3.960 20 30 EHEDLO C=CC[N@@H+](CCC#N)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000428871331 1129555783 /nfs/dbraw/zinc/55/57/83/1129555783.db2.gz INEGQWPBAATCPB-KRWDZBQOSA-N 1 2 333.435 3.557 20 30 EHEDLO C=CC[N@H+](CCC#N)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000428871331 1129555786 /nfs/dbraw/zinc/55/57/86/1129555786.db2.gz INEGQWPBAATCPB-KRWDZBQOSA-N 1 2 333.435 3.557 20 30 EHEDLO OC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1cccc(Cl)c1F ZINC000499940577 1129582430 /nfs/dbraw/zinc/58/24/30/1129582430.db2.gz VLXNFIBUTWIKPG-INIZCTEOSA-N 1 2 338.209 3.807 20 30 EHEDLO COCC[N@H+](Cc1coc(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000058397715 1129942236 /nfs/dbraw/zinc/94/22/36/1129942236.db2.gz FEBCOYHUYRWPKV-UHFFFAOYSA-N 1 2 347.418 3.862 20 30 EHEDLO COCC[N@@H+](Cc1coc(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000058397715 1129942239 /nfs/dbraw/zinc/94/22/39/1129942239.db2.gz FEBCOYHUYRWPKV-UHFFFAOYSA-N 1 2 347.418 3.862 20 30 EHEDLO Cc1ccc(C#N)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058451661 1129944441 /nfs/dbraw/zinc/94/44/41/1129944441.db2.gz JAJJSHKUNGQINO-UHFFFAOYSA-N 1 2 349.369 3.513 20 30 EHEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3)n2)ccc1F ZINC000543544305 1129956135 /nfs/dbraw/zinc/95/61/35/1129956135.db2.gz KGJYPIGEQJSGBH-CYBMUJFWSA-N 1 2 336.370 3.907 20 30 EHEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000429224309 1130040711 /nfs/dbraw/zinc/04/07/11/1130040711.db2.gz BAKZAFWOTYDRGV-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000429224309 1130040718 /nfs/dbraw/zinc/04/07/18/1130040718.db2.gz BAKZAFWOTYDRGV-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000429238075 1130174912 /nfs/dbraw/zinc/17/49/12/1130174912.db2.gz QLAIIVRCQLLLBH-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000429238075 1130174915 /nfs/dbraw/zinc/17/49/15/1130174915.db2.gz QLAIIVRCQLLLBH-CQSZACIVSA-N 1 2 327.378 3.547 20 30 EHEDLO C#Cc1ccc([C@H](OC(=O)[C@H]2CCC[N@H+]2C(C)C)C(F)(F)F)cc1 ZINC001128968208 1130293926 /nfs/dbraw/zinc/29/39/26/1130293926.db2.gz HCBMHTFQIJDIBS-CVEARBPZSA-N 1 2 339.357 3.687 20 30 EHEDLO C#Cc1ccc([C@H](OC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(F)(F)F)cc1 ZINC001128968208 1130293928 /nfs/dbraw/zinc/29/39/28/1130293928.db2.gz HCBMHTFQIJDIBS-CVEARBPZSA-N 1 2 339.357 3.687 20 30 EHEDLO Brc1csc(C=NNc2cc[nH+]c3ccccc23)c1 ZINC000730148107 1130679145 /nfs/dbraw/zinc/67/91/45/1130679145.db2.gz OGCRQCHPHUMNLK-UHFFFAOYSA-N 1 2 332.226 3.927 20 30 EHEDLO COc1ccc(-c2n[nH]cc2C=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147362 1130679348 /nfs/dbraw/zinc/67/93/48/1130679348.db2.gz CGYPBXFOEGNHDY-UHFFFAOYSA-N 1 2 343.390 3.501 20 30 EHEDLO CC(N=Nc1cnnc2ccccc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000733750076 1131075580 /nfs/dbraw/zinc/07/55/80/1131075580.db2.gz LPETZXRDUMYPOC-UHFFFAOYSA-N 1 2 328.379 3.652 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(OC)c(F)c2)c1C ZINC000741095507 1131577870 /nfs/dbraw/zinc/57/78/70/1131577870.db2.gz MOZXCBCWQWQTLD-UHFFFAOYSA-N 1 2 344.430 3.753 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(OC)c(F)c2)c1C ZINC000741095507 1131577873 /nfs/dbraw/zinc/57/78/73/1131577873.db2.gz MOZXCBCWQWQTLD-UHFFFAOYSA-N 1 2 344.430 3.753 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc([N+](=O)[O-])cc1 ZINC000737444449 1131638562 /nfs/dbraw/zinc/63/85/62/1131638562.db2.gz RJTZLZVWTWAJPD-VOTSOKGWSA-N 1 2 327.727 3.792 20 30 EHEDLO CN(C)c1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000737444959 1131640386 /nfs/dbraw/zinc/64/03/86/1131640386.db2.gz WGTCVLLCPMGDSD-HJWRWDBZSA-N 1 2 325.799 3.950 20 30 EHEDLO CCCCCC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000742037744 1131684915 /nfs/dbraw/zinc/68/49/15/1131684915.db2.gz ZALCXKPTSDUTOE-SFHVURJKSA-N 1 2 341.499 3.809 20 30 EHEDLO CSc1ccc(OCCO[NH+]=C(N)c2ccc(Cl)cc2)cc1 ZINC000742352770 1131707925 /nfs/dbraw/zinc/70/79/25/1131707925.db2.gz CELFECSUDYOYKD-UHFFFAOYSA-N 1 2 336.844 3.778 20 30 EHEDLO C#CC[N@@H+](CN1C(=O)[C@H](C)[C@H]1c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000743353360 1131899173 /nfs/dbraw/zinc/89/91/73/1131899173.db2.gz WPULZLKBPKPHAI-YHYVQYDKSA-N 1 2 344.458 3.786 20 30 EHEDLO C#CC[N@H+](CN1C(=O)[C@H](C)[C@H]1c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000743353360 1131899178 /nfs/dbraw/zinc/89/91/78/1131899178.db2.gz WPULZLKBPKPHAI-YHYVQYDKSA-N 1 2 344.458 3.786 20 30 EHEDLO Cc1c(C=[NH+]Nc2c(C)cc(C)cc2C)c(=O)n(-c2ccccc2)n1C ZINC000743445414 1131920111 /nfs/dbraw/zinc/92/01/11/1131920111.db2.gz TVGDNXUPNOUNHO-UHFFFAOYSA-N 1 2 348.450 3.856 20 30 EHEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC2(CCc3ccccc32)CC1)C(=O)OCC ZINC001173690102 1132126031 /nfs/dbraw/zinc/12/60/31/1132126031.db2.gz WVXKKNJDESAZLS-UKLGZHLBSA-N 1 2 339.479 3.911 20 30 EHEDLO CC(C)n1ncc2cc(CNc3cc(CC#N)cc[nH+]3)c(Cl)nc21 ZINC000767289413 1132978433 /nfs/dbraw/zinc/97/84/33/1132978433.db2.gz APEWWGKFZUXRSW-UHFFFAOYSA-N 1 2 340.818 3.739 20 30 EHEDLO C[C@H](C#N)c1ccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC001176967527 1133017325 /nfs/dbraw/zinc/01/73/25/1133017325.db2.gz OTKWDUORSQCXDZ-NVXWUHKLSA-N 1 2 334.423 3.564 20 30 EHEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000769306795 1133257646 /nfs/dbraw/zinc/25/76/46/1133257646.db2.gz CPQZWTJNYAOPMG-OAQYLSRUSA-N 1 2 339.410 3.801 20 30 EHEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000769306795 1133257652 /nfs/dbraw/zinc/25/76/52/1133257652.db2.gz CPQZWTJNYAOPMG-OAQYLSRUSA-N 1 2 339.410 3.801 20 30 EHEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000769310020 1133258912 /nfs/dbraw/zinc/25/89/12/1133258912.db2.gz WJFIMEOTPHPTDI-NRFANRHFSA-N 1 2 339.410 3.801 20 30 EHEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000769310020 1133258917 /nfs/dbraw/zinc/25/89/17/1133258917.db2.gz WJFIMEOTPHPTDI-NRFANRHFSA-N 1 2 339.410 3.801 20 30 EHEDLO CCCCCCC[C@H](C)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001181123098 1133456280 /nfs/dbraw/zinc/45/62/80/1133456280.db2.gz QYHYPYXGKGGNSP-IBGZPJMESA-N 1 2 345.531 3.765 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)Nc1cc(C#N)ccn1)c1ccccc1Cl ZINC001182217662 1133597526 /nfs/dbraw/zinc/59/75/26/1133597526.db2.gz BZQAOQQEYRFMQM-KRWDZBQOSA-N 1 2 342.830 3.628 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3/S/C(=N/C4CCCCC4)NC3=O)n2c1 ZINC000771851037 1133607578 /nfs/dbraw/zinc/60/75/78/1133607578.db2.gz OVKXTSNFUOJALB-OQLLNIDSSA-N 1 2 340.452 3.535 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000785997295 1133789446 /nfs/dbraw/zinc/78/94/46/1133789446.db2.gz KRNFCUZMDKCTBF-MRXNPFEDSA-N 1 2 327.428 3.614 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000785997295 1133789450 /nfs/dbraw/zinc/78/94/50/1133789450.db2.gz KRNFCUZMDKCTBF-MRXNPFEDSA-N 1 2 327.428 3.614 20 30 EHEDLO C=CCCC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)c1ccccc1 ZINC001183850728 1133863886 /nfs/dbraw/zinc/86/38/86/1133863886.db2.gz YOGQDCCHZDKWTD-RTBURBONSA-N 1 2 332.463 3.677 20 30 EHEDLO C=CCCC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)c1ccccc1 ZINC001183850728 1133863896 /nfs/dbraw/zinc/86/38/96/1133863896.db2.gz YOGQDCCHZDKWTD-RTBURBONSA-N 1 2 332.463 3.677 20 30 EHEDLO Cc1cc(F)c(C#N)c(Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)c1 ZINC001186325165 1134195222 /nfs/dbraw/zinc/19/52/22/1134195222.db2.gz CJCHNWMMADUTCE-KBPBESRZSA-N 1 2 340.402 3.758 20 30 EHEDLO C#CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001170094602 1134205873 /nfs/dbraw/zinc/20/58/73/1134205873.db2.gz KCFJFVXHCXSCAP-UHFFFAOYSA-N 1 2 327.811 3.884 20 30 EHEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001170094602 1134205878 /nfs/dbraw/zinc/20/58/78/1134205878.db2.gz KCFJFVXHCXSCAP-UHFFFAOYSA-N 1 2 327.811 3.884 20 30 EHEDLO CC(=[NH+]Nc1ccc2c(cc[nH]c2=O)c1)c1ccc(N)cc1Cl ZINC000789075806 1134217784 /nfs/dbraw/zinc/21/77/84/1134217784.db2.gz BFMMLFUVGIZHIJ-UHFFFAOYSA-N 1 2 326.787 3.600 20 30 EHEDLO Cc1c[nH+]c(C)c(Nc2ccc(C#N)cc2I)c1 ZINC001203663748 1134347711 /nfs/dbraw/zinc/34/77/11/1134347711.db2.gz QOZQPLZMNZKSRS-UHFFFAOYSA-N 1 2 349.175 3.918 20 30 EHEDLO Cn1cc[nH+]c1NN=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000790305638 1134400135 /nfs/dbraw/zinc/40/01/35/1134400135.db2.gz LPUMBVDWZIANAJ-UHFFFAOYSA-N 1 2 336.239 3.904 20 30 EHEDLO C=C(C)[C@H](CC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C)OCC ZINC000791432961 1134548981 /nfs/dbraw/zinc/54/89/81/1134548981.db2.gz YPLVTAYDDKTBOB-SFHVURJKSA-N 1 2 328.412 3.595 20 30 EHEDLO N#CCc1ccc[nH+]c1NCc1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC001170291395 1134743899 /nfs/dbraw/zinc/74/38/99/1134743899.db2.gz LRVNZHLKRQEBSR-UHFFFAOYSA-N 1 2 331.301 3.941 20 30 EHEDLO C=CCCCCCCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000805220044 1135250784 /nfs/dbraw/zinc/25/07/84/1135250784.db2.gz FBIQYDIPAAEGBE-UHFFFAOYSA-N 1 2 335.398 3.876 20 30 EHEDLO CCCCC[C@H](CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000775642989 1135382123 /nfs/dbraw/zinc/38/21/23/1135382123.db2.gz QWOZJAZPQDDSFD-FQEVSTJZSA-N 1 2 341.499 3.809 20 30 EHEDLO C[C@H]1CCCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000775732912 1135592308 /nfs/dbraw/zinc/59/23/08/1135592308.db2.gz XQBQUNWMWPVLRB-UONOGXRCSA-N 1 2 327.453 3.595 20 30 EHEDLO C[C@H]1CCCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000775732912 1135592312 /nfs/dbraw/zinc/59/23/12/1135592312.db2.gz XQBQUNWMWPVLRB-UONOGXRCSA-N 1 2 327.453 3.595 20 30 EHEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2cc(F)c(F)c(F)c2)cc1 ZINC000747637724 1136010405 /nfs/dbraw/zinc/01/04/05/1136010405.db2.gz AQNUMZVAAHKAOP-UHFFFAOYSA-N 1 2 332.329 3.900 20 30 EHEDLO COc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cc1O ZINC000811696880 1136126833 /nfs/dbraw/zinc/12/68/33/1136126833.db2.gz HLANKAZEKRVYOL-ONEGZZNKSA-N 1 2 326.377 3.544 20 30 EHEDLO Cc1ccc(-c2nnc([C@H](C)O[NH+]=C(N)c3ccc(F)cc3)o2)cc1 ZINC000747864160 1136353978 /nfs/dbraw/zinc/35/39/78/1136353978.db2.gz JONDBMJWQPUJOU-LBPRGKRZSA-N 1 2 340.358 3.582 20 30 EHEDLO C#CC[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000852207050 1136439967 /nfs/dbraw/zinc/43/99/67/1136439967.db2.gz XXRIIYDKRRBEHC-NSHDSACASA-N 1 2 327.653 3.733 20 30 EHEDLO C#CC[C@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000852207050 1136439969 /nfs/dbraw/zinc/43/99/69/1136439969.db2.gz XXRIIYDKRRBEHC-NSHDSACASA-N 1 2 327.653 3.733 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000852333068 1136450000 /nfs/dbraw/zinc/45/00/00/1136450000.db2.gz YSPOYYGTXLAXOO-NRFANRHFSA-N 1 2 335.451 3.546 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000852333068 1136450001 /nfs/dbraw/zinc/45/00/01/1136450001.db2.gz YSPOYYGTXLAXOO-NRFANRHFSA-N 1 2 335.451 3.546 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000852411966 1136454918 /nfs/dbraw/zinc/45/49/18/1136454918.db2.gz XENYYPBQGOWFON-GJZGRUSLSA-N 1 2 339.464 3.761 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000852411966 1136454919 /nfs/dbraw/zinc/45/49/19/1136454919.db2.gz XENYYPBQGOWFON-GJZGRUSLSA-N 1 2 339.464 3.761 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ncn(-c2ccccc2C)c1=S ZINC000853599895 1136548428 /nfs/dbraw/zinc/54/84/28/1136548428.db2.gz XZIFPAQLDHWIPB-IYBDPMFKSA-N 1 2 326.469 3.852 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncn(-c2ccccc2C)c1=S ZINC000853599895 1136548432 /nfs/dbraw/zinc/54/84/32/1136548432.db2.gz XZIFPAQLDHWIPB-IYBDPMFKSA-N 1 2 326.469 3.852 20 30 EHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCOc2ccccc2)[nH+]1 ZINC001170805146 1136645103 /nfs/dbraw/zinc/64/51/03/1136645103.db2.gz ZOZVNGCVYMCXQZ-GWZGDKMZSA-N 1 2 345.468 3.720 20 30 EHEDLO Cc1ccc(O[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000858042853 1136935131 /nfs/dbraw/zinc/93/51/31/1136935131.db2.gz RKLHZBGOWBJWDY-KRWDZBQOSA-N 1 2 326.827 3.548 20 30 EHEDLO Cc1ccc(O[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)nc1 ZINC000858042853 1136935134 /nfs/dbraw/zinc/93/51/34/1136935134.db2.gz RKLHZBGOWBJWDY-KRWDZBQOSA-N 1 2 326.827 3.548 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1cc(OC)ccc1OC ZINC000820619789 1136998632 /nfs/dbraw/zinc/99/86/32/1136998632.db2.gz ZMMMLKJFCVVQFW-UHFFFAOYSA-N 1 2 326.396 3.503 20 30 EHEDLO Cc1nc(C[NH+]2CCC(C(=O)OCC(C)(C)CCC#N)CC2)cs1 ZINC000805949514 1137240012 /nfs/dbraw/zinc/24/00/12/1137240012.db2.gz ZKKCHIVHFQXWIT-UHFFFAOYSA-N 1 2 349.500 3.537 20 30 EHEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(F)c(O)cc3F)C2)c1 ZINC001144657678 1137323694 /nfs/dbraw/zinc/32/36/94/1137323694.db2.gz DCBBXCOTTIXXRG-MRXNPFEDSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(O)cc3F)C2)c1 ZINC001144657678 1137323695 /nfs/dbraw/zinc/32/36/95/1137323695.db2.gz DCBBXCOTTIXXRG-MRXNPFEDSA-N 1 2 344.361 3.585 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000846118301 1137334216 /nfs/dbraw/zinc/33/42/16/1137334216.db2.gz XBAIRGUATYDQTJ-HXUWFJFHSA-N 1 2 341.455 3.521 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000846118301 1137334218 /nfs/dbraw/zinc/33/42/18/1137334218.db2.gz XBAIRGUATYDQTJ-HXUWFJFHSA-N 1 2 341.455 3.521 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(C#N)c1O ZINC000866238716 1137337952 /nfs/dbraw/zinc/33/79/52/1137337952.db2.gz RGGHAYWZGBQVAO-QWHCGFSZSA-N 1 2 335.407 3.560 20 30 EHEDLO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccco1 ZINC000866249146 1137339336 /nfs/dbraw/zinc/33/93/36/1137339336.db2.gz IDKVZWWJMPJZAU-YOEHRIQHSA-N 1 2 327.428 3.591 20 30 EHEDLO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1cccc(C#N)c1O ZINC000866311257 1137344460 /nfs/dbraw/zinc/34/44/60/1137344460.db2.gz YUEFIPFBQKWRNO-HNAYVOBHSA-N 1 2 338.451 3.717 20 30 EHEDLO C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866341497 1137347353 /nfs/dbraw/zinc/34/73/53/1137347353.db2.gz YIJHWPTYQJATIA-AZOSJMHDSA-N 1 2 336.435 3.745 20 30 EHEDLO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866355115 1137348905 /nfs/dbraw/zinc/34/89/05/1137348905.db2.gz UIHIXTNYLVMWPX-APPDUMDISA-N 1 2 326.371 3.750 20 30 EHEDLO CCOc1ccc(C(=O)/C=C/c2c[nH+]c3ccccn23)cc1[N+](=O)[O-] ZINC000122575132 1137450890 /nfs/dbraw/zinc/45/08/90/1137450890.db2.gz QMFOCSRQPSHAPN-BQYQJAHWSA-N 1 2 337.335 3.537 20 30 EHEDLO COC(=O)[C@H](CC1CCCCC1)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172301486 1137545115 /nfs/dbraw/zinc/54/51/15/1137545115.db2.gz PMXUGHGRDCHWMX-BEFAXECRSA-N 1 2 328.456 3.591 20 30 EHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001172310846 1137546077 /nfs/dbraw/zinc/54/60/77/1137546077.db2.gz KCCXJHXXNSLGCD-INIZCTEOSA-N 1 2 328.419 3.691 20 30 EHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC001172310846 1137546078 /nfs/dbraw/zinc/54/60/78/1137546078.db2.gz KCCXJHXXNSLGCD-INIZCTEOSA-N 1 2 328.419 3.691 20 30 EHEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172290117 1137548261 /nfs/dbraw/zinc/54/82/61/1137548261.db2.gz MJYFNOHDVAEHJL-VIFPVBQESA-N 1 2 342.258 3.912 20 30 EHEDLO Cc1ccc(Br)c(N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC000872433314 1137580110 /nfs/dbraw/zinc/58/01/10/1137580110.db2.gz KEBUGISWLWJJOJ-UHFFFAOYSA-N 1 2 345.244 3.667 20 30 EHEDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876682046 1137658936 /nfs/dbraw/zinc/65/89/36/1137658936.db2.gz DIJZGBBZBCZQIL-MRXNPFEDSA-N 1 2 327.815 3.952 20 30 EHEDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876682046 1137658937 /nfs/dbraw/zinc/65/89/37/1137658937.db2.gz DIJZGBBZBCZQIL-MRXNPFEDSA-N 1 2 327.815 3.952 20 30 EHEDLO C[C@H](CC#N)[N@H+](C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876690935 1137659168 /nfs/dbraw/zinc/65/91/68/1137659168.db2.gz VONQSXJWXAPRKS-CYBMUJFWSA-N 1 2 349.500 3.775 20 30 EHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876690935 1137659169 /nfs/dbraw/zinc/65/91/69/1137659169.db2.gz VONQSXJWXAPRKS-CYBMUJFWSA-N 1 2 349.500 3.775 20 30 EHEDLO C[C@@H](CC#N)[N@H+](C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876690936 1137659178 /nfs/dbraw/zinc/65/91/78/1137659178.db2.gz VONQSXJWXAPRKS-ZDUSSCGKSA-N 1 2 349.500 3.775 20 30 EHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876690936 1137659179 /nfs/dbraw/zinc/65/91/79/1137659179.db2.gz VONQSXJWXAPRKS-ZDUSSCGKSA-N 1 2 349.500 3.775 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000876767119 1137660803 /nfs/dbraw/zinc/66/08/03/1137660803.db2.gz BKVPMCPPVPJNLQ-QGZVFWFLSA-N 1 2 339.826 3.844 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000876767119 1137660804 /nfs/dbraw/zinc/66/08/04/1137660804.db2.gz BKVPMCPPVPJNLQ-QGZVFWFLSA-N 1 2 339.826 3.844 20 30 EHEDLO CNC(=O)c1cccc(CC/[NH+]=C/c2c(O)ccc3ccccc32)c1 ZINC000126560669 1137679983 /nfs/dbraw/zinc/67/99/83/1137679983.db2.gz IXUYKAUGVABKPH-OEAKJJBVSA-N 1 2 332.403 3.567 20 30 EHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000881123525 1137800612 /nfs/dbraw/zinc/80/06/12/1137800612.db2.gz PABYKNOGNBGMOZ-OAHLLOKOSA-N 1 2 349.438 3.581 20 30 EHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000881126018 1137800783 /nfs/dbraw/zinc/80/07/83/1137800783.db2.gz YQUUVGNQKGNZKD-AUUYWEPGSA-N 1 2 349.438 3.747 20 30 EHEDLO C=CCC(C)(C)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883709645 1137867762 /nfs/dbraw/zinc/86/77/62/1137867762.db2.gz NRINZTJGVDOUME-KRWDZBQOSA-N 1 2 326.444 3.526 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000332184740 1137934843 /nfs/dbraw/zinc/93/48/43/1137934843.db2.gz NSMYPVOEJBIQJN-JTQLQIEISA-N 1 2 338.205 3.633 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000332184740 1137934844 /nfs/dbraw/zinc/93/48/44/1137934844.db2.gz NSMYPVOEJBIQJN-JTQLQIEISA-N 1 2 338.205 3.633 20 30 EHEDLO C=C1CCC(CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001687541110 1138067626 /nfs/dbraw/zinc/06/76/26/1138067626.db2.gz FDDINWOJXUXAFE-INIZCTEOSA-N 1 2 338.455 3.979 20 30 EHEDLO C=CC1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000348380892 1138068543 /nfs/dbraw/zinc/06/85/43/1138068543.db2.gz KVPLSJLWASWMMZ-UHFFFAOYSA-N 1 2 334.489 3.559 20 30 EHEDLO CC[N@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000127676907 1138366312 /nfs/dbraw/zinc/36/63/12/1138366312.db2.gz NJLLOBYAIMCFDV-UHFFFAOYSA-N 1 2 331.423 3.670 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000127676907 1138366313 /nfs/dbraw/zinc/36/63/13/1138366313.db2.gz NJLLOBYAIMCFDV-UHFFFAOYSA-N 1 2 331.423 3.670 20 30 EHEDLO C=C1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000264497071 1138537146 /nfs/dbraw/zinc/53/71/46/1138537146.db2.gz USTFPWMJVCRILS-UHFFFAOYSA-N 1 2 334.217 3.651 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000337821103 1138676254 /nfs/dbraw/zinc/67/62/54/1138676254.db2.gz QUMFXZDDFVRDME-INIZCTEOSA-N 1 2 349.434 3.512 20 30 EHEDLO Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000265286273 1138795987 /nfs/dbraw/zinc/79/59/87/1138795987.db2.gz ASMBESFIZVEXSG-XJKSGUPXSA-N 1 2 341.411 3.834 20 30 EHEDLO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000265286273 1138795990 /nfs/dbraw/zinc/79/59/90/1138795990.db2.gz ASMBESFIZVEXSG-XJKSGUPXSA-N 1 2 341.411 3.834 20 30 EHEDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181203779 1139892427 /nfs/dbraw/zinc/89/24/27/1139892427.db2.gz QCRXDFSFWMJSAJ-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181203779 1139892434 /nfs/dbraw/zinc/89/24/34/1139892434.db2.gz QCRXDFSFWMJSAJ-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO CC[C@@H](C)[N@H+](CC#Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000192106945 1140503331 /nfs/dbraw/zinc/50/33/31/1140503331.db2.gz GTFODURJOICCPI-QGZVFWFLSA-N 1 2 345.446 3.575 20 30 EHEDLO CC[C@@H](C)[N@@H+](CC#Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000192106945 1140503342 /nfs/dbraw/zinc/50/33/42/1140503342.db2.gz GTFODURJOICCPI-QGZVFWFLSA-N 1 2 345.446 3.575 20 30 EHEDLO N#Cc1ccc(F)c(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000193134844 1140565424 /nfs/dbraw/zinc/56/54/24/1140565424.db2.gz FWWYZKIXAXNSFP-UHFFFAOYSA-N 1 2 344.817 3.834 20 30 EHEDLO C=C1CC[NH+](Cc2oc(-c3ccccc3)nc2C(=O)OCC)CC1 ZINC000266795966 1140724976 /nfs/dbraw/zinc/72/49/76/1140724976.db2.gz YFKPYVUDNKMOLP-UHFFFAOYSA-N 1 2 326.396 3.670 20 30 EHEDLO C[C@H](C#N)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000271118012 1141309376 /nfs/dbraw/zinc/30/93/76/1141309376.db2.gz GBWHUMLFCFRTQU-MRXNPFEDSA-N 1 2 331.423 3.526 20 30 EHEDLO C[C@H](C#N)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000271118012 1141309383 /nfs/dbraw/zinc/30/93/83/1141309383.db2.gz GBWHUMLFCFRTQU-MRXNPFEDSA-N 1 2 331.423 3.526 20 30 EHEDLO CCOc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1OC(F)F ZINC000348701851 1141567764 /nfs/dbraw/zinc/56/77/64/1141567764.db2.gz CXQRECXIKHZXEZ-UHFFFAOYSA-N 1 2 328.334 3.514 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(O)c1OC ZINC000348877219 1141602470 /nfs/dbraw/zinc/60/24/70/1141602470.db2.gz OKVWRJATVJRHHH-UHFFFAOYSA-N 1 2 329.444 3.757 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(O)c1OC ZINC000348877219 1141602471 /nfs/dbraw/zinc/60/24/71/1141602471.db2.gz OKVWRJATVJRHHH-UHFFFAOYSA-N 1 2 329.444 3.757 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)COc3ccc(C#N)cc3)c2)[nH+]c1C ZINC000363377864 526587072 /nfs/dbraw/zinc/58/70/72/526587072.db2.gz LONUNSJWPUOLKT-UHFFFAOYSA-N 1 2 346.390 3.583 20 30 EHEDLO COc1cc(C#N)ccc1CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275981994 564136413 /nfs/dbraw/zinc/13/64/13/564136413.db2.gz OHYPYCMRUUWTOP-SFHVURJKSA-N 1 2 336.439 3.506 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)Oc1ccc(C#N)cc1OC)c1ccccc1 ZINC000175729041 1014809296 /nfs/dbraw/zinc/80/92/96/1014809296.db2.gz RUGCNBQLASEGEZ-LJQANCHMSA-N 1 2 338.407 3.555 20 30 EHEDLO CC(C)Oc1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000471152750 1014966474 /nfs/dbraw/zinc/96/64/74/1014966474.db2.gz VZSVCRYTVABMOC-NRFANRHFSA-N 1 2 349.478 3.856 20 30 EHEDLO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000430283609 1015777556 /nfs/dbraw/zinc/77/75/56/1015777556.db2.gz IEYHNKAEMQYPSN-ZDUSSCGKSA-N 1 2 343.496 3.725 20 30 EHEDLO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000430283609 1015777562 /nfs/dbraw/zinc/77/75/62/1015777562.db2.gz IEYHNKAEMQYPSN-ZDUSSCGKSA-N 1 2 343.496 3.725 20 30 EHEDLO CC[C@H](C[N@H+](CCC#N)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001209453383 1016309665 /nfs/dbraw/zinc/30/96/65/1016309665.db2.gz GXHRCGZNMPPLLI-QGZVFWFLSA-N 1 2 331.460 3.706 20 30 EHEDLO CC[C@H](C[N@@H+](CCC#N)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001209453383 1016309672 /nfs/dbraw/zinc/30/96/72/1016309672.db2.gz GXHRCGZNMPPLLI-QGZVFWFLSA-N 1 2 331.460 3.706 20 30 EHEDLO C=CC[N@@H+](CCCOc1cccc(C(C)(C)C)c1)CC(=O)OCC ZINC001167248023 1016759719 /nfs/dbraw/zinc/75/97/19/1016759719.db2.gz HJSPGOMMPISGPV-UHFFFAOYSA-N 1 2 333.472 3.804 20 30 EHEDLO C=CC[N@H+](CCCOc1cccc(C(C)(C)C)c1)CC(=O)OCC ZINC001167248023 1016759727 /nfs/dbraw/zinc/75/97/27/1016759727.db2.gz HJSPGOMMPISGPV-UHFFFAOYSA-N 1 2 333.472 3.804 20 30 EHEDLO N#Cc1c(Cl)nsc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782973473 1016908461 /nfs/dbraw/zinc/90/84/61/1016908461.db2.gz GVCVUILPOOTULW-UHFFFAOYSA-N 1 2 335.864 3.561 20 30 EHEDLO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000255072308 1017350749 /nfs/dbraw/zinc/35/07/49/1017350749.db2.gz FOBUUPJXQNZAIE-WTKPLQERSA-N 1 2 349.346 3.691 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CCCc3ccccc3C2)c(C#N)c1C ZINC000177150594 1017602813 /nfs/dbraw/zinc/60/28/13/1017602813.db2.gz LVIYBAYLILRMOF-UHFFFAOYSA-N 1 2 339.464 3.624 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CCCc3ccccc3C2)c(C#N)c1C ZINC000177150594 1017602820 /nfs/dbraw/zinc/60/28/20/1017602820.db2.gz LVIYBAYLILRMOF-UHFFFAOYSA-N 1 2 339.464 3.624 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)c(C#N)c1C ZINC000177294351 1017609702 /nfs/dbraw/zinc/60/97/02/1017609702.db2.gz RFBBLHWAGKEJNQ-LBPRGKRZSA-N 1 2 339.464 3.622 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)c(C#N)c1C ZINC000177294351 1017609710 /nfs/dbraw/zinc/60/97/10/1017609710.db2.gz RFBBLHWAGKEJNQ-LBPRGKRZSA-N 1 2 339.464 3.622 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c1F ZINC000528760848 1032733053 /nfs/dbraw/zinc/73/30/53/1032733053.db2.gz CCMXZSKIDMDWLH-UHFFFAOYSA-N 1 2 334.398 3.501 20 30 EHEDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000528766245 1032768007 /nfs/dbraw/zinc/76/80/07/1032768007.db2.gz DUTUQLQEJLYOFA-SNVBAGLBSA-N 1 2 329.188 3.940 20 30 EHEDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000528766245 1032768018 /nfs/dbraw/zinc/76/80/18/1032768018.db2.gz DUTUQLQEJLYOFA-SNVBAGLBSA-N 1 2 329.188 3.940 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000614351569 1018735147 /nfs/dbraw/zinc/73/51/47/1018735147.db2.gz MAJUWBXHWRAVAJ-QGZVFWFLSA-N 1 2 338.451 3.561 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccc(OC)cc1 ZINC000614351569 1018735162 /nfs/dbraw/zinc/73/51/62/1018735162.db2.gz MAJUWBXHWRAVAJ-QGZVFWFLSA-N 1 2 338.451 3.561 20 30 EHEDLO CC(C)c1nnc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000050027765 1018781360 /nfs/dbraw/zinc/78/13/60/1018781360.db2.gz TZHJAMZXIJNINX-AWEZNQCLSA-N 1 2 330.457 3.914 20 30 EHEDLO CC(C)c1nnc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000050027765 1018781375 /nfs/dbraw/zinc/78/13/75/1018781375.db2.gz TZHJAMZXIJNINX-AWEZNQCLSA-N 1 2 330.457 3.914 20 30 EHEDLO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1Cl ZINC000042294664 1019097687 /nfs/dbraw/zinc/09/76/87/1019097687.db2.gz IAZMIZSVYUFTNJ-UHFFFAOYSA-N 1 2 333.863 3.505 20 30 EHEDLO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1Cl ZINC000042294664 1019097697 /nfs/dbraw/zinc/09/76/97/1019097697.db2.gz IAZMIZSVYUFTNJ-UHFFFAOYSA-N 1 2 333.863 3.505 20 30 EHEDLO C#CCC[NH+]1CCN(C(=O)c2sc3cc(C)ccc3c2Cl)CC1 ZINC000729355617 1019310563 /nfs/dbraw/zinc/31/05/63/1019310563.db2.gz VWDHCKOHKFDEHB-UHFFFAOYSA-N 1 2 346.883 3.644 20 30 EHEDLO Cn1nc2c(c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)CCCC2 ZINC000602481038 1032911027 /nfs/dbraw/zinc/91/10/27/1032911027.db2.gz DNNYTPYLLQNNPE-ICSRJNTNSA-N 1 2 334.467 3.571 20 30 EHEDLO Cn1nc2c(c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)CCCC2 ZINC000602481038 1032911032 /nfs/dbraw/zinc/91/10/32/1032911032.db2.gz DNNYTPYLLQNNPE-ICSRJNTNSA-N 1 2 334.467 3.571 20 30 EHEDLO Cc1cc2c(s1)N(c1cncnc1C#N)c1ccccc1NC2=[NH2+] ZINC001167463179 1020917617 /nfs/dbraw/zinc/91/76/17/1020917617.db2.gz DLVZJNMMXUMWOJ-UHFFFAOYSA-N 1 2 332.392 3.538 20 30 EHEDLO Cc1ccc(-c2cnc(CO[NH+]=C(N)c3ccc(F)c(C)c3)o2)cc1 ZINC000760434624 1032950888 /nfs/dbraw/zinc/95/08/88/1032950888.db2.gz LHXKCLLIGXHVNE-UHFFFAOYSA-N 1 2 339.370 3.935 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000518560171 1021318370 /nfs/dbraw/zinc/31/83/70/1021318370.db2.gz SPMCTVKFROSRGG-SFHVURJKSA-N 1 2 333.435 3.732 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnn(C(C)C)c1)c1ccc(Br)cc1 ZINC000894871448 1021547440 /nfs/dbraw/zinc/54/74/40/1021547440.db2.gz UVBUBARQFYYZEM-MRXNPFEDSA-N 1 2 332.245 3.691 20 30 EHEDLO Cc1cc(C[N@H+](C)Cc2cc(C#N)cs2)ncc1Br ZINC000897624825 1033008464 /nfs/dbraw/zinc/00/84/64/1033008464.db2.gz ZPZXFSFERITYQC-UHFFFAOYSA-N 1 2 336.258 3.718 20 30 EHEDLO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ncc1Br ZINC000897624825 1033008482 /nfs/dbraw/zinc/00/84/82/1033008482.db2.gz ZPZXFSFERITYQC-UHFFFAOYSA-N 1 2 336.258 3.718 20 30 EHEDLO COc1ccccc1C[N@@H+](Cc1csc(C#N)c1)C[C@H]1CCCO1 ZINC000891692234 1022353978 /nfs/dbraw/zinc/35/39/78/1022353978.db2.gz LDGXGSAEFDTSCQ-QGZVFWFLSA-N 1 2 342.464 3.810 20 30 EHEDLO COc1ccccc1C[N@H+](Cc1csc(C#N)c1)C[C@H]1CCCO1 ZINC000891692234 1022353998 /nfs/dbraw/zinc/35/39/98/1022353998.db2.gz LDGXGSAEFDTSCQ-QGZVFWFLSA-N 1 2 342.464 3.810 20 30 EHEDLO C[C@]1(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CC1(Cl)Cl ZINC000933627881 1022476929 /nfs/dbraw/zinc/47/69/29/1022476929.db2.gz GZZKWFQQKZQGFX-LSDHHAIUSA-N 1 2 325.239 3.515 20 30 EHEDLO C[C@]1(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CC1(Cl)Cl ZINC000933627881 1022476935 /nfs/dbraw/zinc/47/69/35/1022476935.db2.gz GZZKWFQQKZQGFX-LSDHHAIUSA-N 1 2 325.239 3.515 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000322964817 1022642945 /nfs/dbraw/zinc/64/29/45/1022642945.db2.gz PLVNTGPVNBLHGY-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(CC#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000550252177 1022862033 /nfs/dbraw/zinc/86/20/33/1022862033.db2.gz VJOMFVIJMCCXME-INIZCTEOSA-N 1 2 326.362 3.684 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000550252177 1022862055 /nfs/dbraw/zinc/86/20/55/1022862055.db2.gz VJOMFVIJMCCXME-INIZCTEOSA-N 1 2 326.362 3.684 20 30 EHEDLO N#Cc1ccc(C[NH2+]Cc2ccsc2Br)c(F)c1 ZINC000337871471 1022899483 /nfs/dbraw/zinc/89/94/83/1022899483.db2.gz RJOSWWDPONMWAR-UHFFFAOYSA-N 1 2 325.206 3.811 20 30 EHEDLO COc1ccc2nc(C[N@H+](C)Cc3cc(C#N)cs3)sc2c1 ZINC000933773168 1022971564 /nfs/dbraw/zinc/97/15/64/1022971564.db2.gz FWPBJPPHQOKKJI-UHFFFAOYSA-N 1 2 329.450 3.870 20 30 EHEDLO COc1ccc2nc(C[N@@H+](C)Cc3cc(C#N)cs3)sc2c1 ZINC000933773168 1022971576 /nfs/dbraw/zinc/97/15/76/1022971576.db2.gz FWPBJPPHQOKKJI-UHFFFAOYSA-N 1 2 329.450 3.870 20 30 EHEDLO C[C@H](NC(=O)C[N@H+](C)Cc1cc(C#N)cs1)c1ccccc1Cl ZINC000933780689 1022992831 /nfs/dbraw/zinc/99/28/31/1022992831.db2.gz UNJXLPFDWLXKCH-LBPRGKRZSA-N 1 2 347.871 3.582 20 30 EHEDLO C[C@H](NC(=O)C[N@@H+](C)Cc1cc(C#N)cs1)c1ccccc1Cl ZINC000933780689 1022992843 /nfs/dbraw/zinc/99/28/43/1022992843.db2.gz UNJXLPFDWLXKCH-LBPRGKRZSA-N 1 2 347.871 3.582 20 30 EHEDLO N#Cc1ccc(C2([NH2+][C@@H](c3nnc[nH]3)C3CCCCC3)CCC2)cc1 ZINC000602709515 1033094477 /nfs/dbraw/zinc/09/44/77/1033094477.db2.gz KGWOFLMFIVHIRZ-GOSISDBHSA-N 1 2 335.455 3.967 20 30 EHEDLO Fc1ccc(C#CC[NH+]2CCN(c3cncc4ccccc43)CC2)cc1 ZINC000429638199 1023099415 /nfs/dbraw/zinc/09/94/15/1023099415.db2.gz UWDLGFFCNRQCDB-UHFFFAOYSA-N 1 2 345.421 3.548 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000510774837 1023147502 /nfs/dbraw/zinc/14/75/02/1023147502.db2.gz ZZOZHHUMAFWGJQ-FQEVSTJZSA-N 1 2 348.446 3.826 20 30 EHEDLO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@H](C)C#N ZINC000091983365 1023336644 /nfs/dbraw/zinc/33/66/44/1023336644.db2.gz HEJBBMTYINVKJL-CYBMUJFWSA-N 1 2 343.383 3.845 20 30 EHEDLO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@H](C)C#N ZINC000091983365 1023336649 /nfs/dbraw/zinc/33/66/49/1023336649.db2.gz HEJBBMTYINVKJL-CYBMUJFWSA-N 1 2 343.383 3.845 20 30 EHEDLO CCO[C@@H](C)c1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000341976877 1023738326 /nfs/dbraw/zinc/73/83/26/1023738326.db2.gz UIGVTXFGQQMESI-ZDUSSCGKSA-N 1 2 327.453 3.891 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC000063300580 1033170095 /nfs/dbraw/zinc/17/00/95/1033170095.db2.gz JOJUAJXWUDKSBS-UHFFFAOYSA-N 1 2 339.483 3.583 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1cccc(C#N)c1 ZINC000063300580 1033170106 /nfs/dbraw/zinc/17/01/06/1033170106.db2.gz JOJUAJXWUDKSBS-UHFFFAOYSA-N 1 2 339.483 3.583 20 30 EHEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329771093 1024188184 /nfs/dbraw/zinc/18/81/84/1024188184.db2.gz GPXQJKJYPNQWMU-ZDUSSCGKSA-N 1 2 345.468 3.775 20 30 EHEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCOCC2(CCC2)C1 ZINC000329771093 1024188192 /nfs/dbraw/zinc/18/81/92/1024188192.db2.gz GPXQJKJYPNQWMU-ZDUSSCGKSA-N 1 2 345.468 3.775 20 30 EHEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329784579 1024193094 /nfs/dbraw/zinc/19/30/94/1024193094.db2.gz PIYUBFKSYFMTLS-VRKREXBASA-N 1 2 338.883 3.707 20 30 EHEDLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329784579 1024193100 /nfs/dbraw/zinc/19/31/00/1024193100.db2.gz PIYUBFKSYFMTLS-VRKREXBASA-N 1 2 338.883 3.707 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000274244708 1024206838 /nfs/dbraw/zinc/20/68/38/1024206838.db2.gz VOLIMRKJLCJLCI-MLGOLLRUSA-N 1 2 334.345 3.861 20 30 EHEDLO O=C(NCCC1=CCCCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329833921 1024216385 /nfs/dbraw/zinc/21/63/85/1024216385.db2.gz UJISNAFIGNWEPA-GOSISDBHSA-N 1 2 329.444 3.729 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(C)c1 ZINC000330100823 1024319771 /nfs/dbraw/zinc/31/97/71/1024319771.db2.gz FCYOVHZRDYEABV-ZWOKBUDYSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(C)c1 ZINC000330100823 1024319790 /nfs/dbraw/zinc/31/97/90/1024319790.db2.gz FCYOVHZRDYEABV-ZWOKBUDYSA-N 1 2 346.471 3.550 20 30 EHEDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346196916 1024518672 /nfs/dbraw/zinc/51/86/72/1024518672.db2.gz PKGIMJYGAQDFDW-WBMJQRKESA-N 1 2 327.407 3.598 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C(=O)OCC ZINC000895701653 1024739493 /nfs/dbraw/zinc/73/94/93/1024739493.db2.gz TYYVACJLHDPPSW-ULQDDVLXSA-N 1 2 343.895 3.636 20 30 EHEDLO N#CC1(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000329084641 1025592433 /nfs/dbraw/zinc/59/24/33/1025592433.db2.gz TWIVGWMDHMIFKE-LJQANCHMSA-N 1 2 333.435 3.913 20 30 EHEDLO N#CC1(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)CC1 ZINC000329084641 1025592446 /nfs/dbraw/zinc/59/24/46/1025592446.db2.gz TWIVGWMDHMIFKE-LJQANCHMSA-N 1 2 333.435 3.913 20 30 EHEDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CCCOC1 ZINC000329118930 1025611907 /nfs/dbraw/zinc/61/19/07/1025611907.db2.gz VEGCYISOKBBUEJ-AWEZNQCLSA-N 1 2 325.412 3.901 20 30 EHEDLO C=C1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000521741604 1025646380 /nfs/dbraw/zinc/64/63/80/1025646380.db2.gz FWOAPZMRTNKHMM-UHFFFAOYSA-N 1 2 334.217 3.651 20 30 EHEDLO COc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425541116 1025693802 /nfs/dbraw/zinc/69/38/02/1025693802.db2.gz PDLFWBVAIVHVOY-CQSZACIVSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425541116 1025693805 /nfs/dbraw/zinc/69/38/05/1025693805.db2.gz PDLFWBVAIVHVOY-CQSZACIVSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425548722 1025721527 /nfs/dbraw/zinc/72/15/27/1025721527.db2.gz KKJZSAJDDMACKR-IEBWSBKVSA-N 1 2 342.826 3.528 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425548722 1025721539 /nfs/dbraw/zinc/72/15/39/1025721539.db2.gz KKJZSAJDDMACKR-IEBWSBKVSA-N 1 2 342.826 3.528 20 30 EHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCO1 ZINC000329391870 1025802161 /nfs/dbraw/zinc/80/21/61/1025802161.db2.gz RXHLEDGXBRNXPE-CUSZFKRNSA-N 1 2 343.402 3.540 20 30 EHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1C#N ZINC001141907739 1025903930 /nfs/dbraw/zinc/90/39/30/1025903930.db2.gz MHEZVPVPNCBXQZ-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1C#N ZINC001141907739 1025903941 /nfs/dbraw/zinc/90/39/41/1025903941.db2.gz MHEZVPVPNCBXQZ-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1c1ccccc1Cl ZINC000329501842 1025932465 /nfs/dbraw/zinc/93/24/65/1025932465.db2.gz AHDABXCBKXGTOI-SJKOYZFVSA-N 1 2 344.846 3.672 20 30 EHEDLO CCO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000451521821 1026070746 /nfs/dbraw/zinc/07/07/46/1026070746.db2.gz AFLOWSQIPFCIHO-BLLLJJGKSA-N 1 2 337.261 3.568 20 30 EHEDLO CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000451521821 1026070758 /nfs/dbraw/zinc/07/07/58/1026070758.db2.gz AFLOWSQIPFCIHO-BLLLJJGKSA-N 1 2 337.261 3.568 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccccc1 ZINC000530662810 1026180682 /nfs/dbraw/zinc/18/06/82/1026180682.db2.gz DRIXJOVGTZAOGM-AUUYWEPGSA-N 1 2 330.391 3.801 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccccc1 ZINC000530662810 1026180692 /nfs/dbraw/zinc/18/06/92/1026180692.db2.gz DRIXJOVGTZAOGM-AUUYWEPGSA-N 1 2 330.391 3.801 20 30 EHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC=C(C)CC2)c1C#N ZINC000339663491 1026613498 /nfs/dbraw/zinc/61/34/98/1026613498.db2.gz QZPUXLBOFIUTIK-UHFFFAOYSA-N 1 2 348.450 3.556 20 30 EHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC=C(C)CC2)c1C#N ZINC000339663491 1026613500 /nfs/dbraw/zinc/61/35/00/1026613500.db2.gz QZPUXLBOFIUTIK-UHFFFAOYSA-N 1 2 348.450 3.556 20 30 EHEDLO Cc1c([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)nnn1-c1ccccc1 ZINC000342790704 1027061579 /nfs/dbraw/zinc/06/15/79/1027061579.db2.gz AXCIKDNSNUCJAL-HNNXBMFYSA-N 1 2 343.434 3.787 20 30 EHEDLO C[C@@H]1C[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C)S1 ZINC000072770064 1027099151 /nfs/dbraw/zinc/09/91/51/1027099151.db2.gz RPNGLDLGZVVUMT-HUUCEWRRSA-N 1 2 341.480 3.563 20 30 EHEDLO C[C@H](c1ccsc1)[NH+]1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000342838656 1027555497 /nfs/dbraw/zinc/55/54/97/1027555497.db2.gz IBGMMVXFLIAVGM-GFCCVEGCSA-N 1 2 332.860 3.551 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000347047405 1027800461 /nfs/dbraw/zinc/80/04/61/1027800461.db2.gz HBBRDDWETDIFHQ-KRWDZBQOSA-N 1 2 349.272 3.713 20 30 EHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000347047405 1027800482 /nfs/dbraw/zinc/80/04/82/1027800482.db2.gz HBBRDDWETDIFHQ-KRWDZBQOSA-N 1 2 349.272 3.713 20 30 EHEDLO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCOCC1 ZINC000520798155 1027905539 /nfs/dbraw/zinc/90/55/39/1027905539.db2.gz PTPYRDATLBIRIW-UHFFFAOYSA-N 1 2 345.830 3.837 20 30 EHEDLO Cc1nnc([C@@H](C)[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)o1 ZINC000582943717 1028337827 /nfs/dbraw/zinc/33/78/27/1028337827.db2.gz GUUPIUSGHLIYFW-MRXNPFEDSA-N 1 2 346.434 3.929 20 30 EHEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)s1 ZINC000475627459 1028750003 /nfs/dbraw/zinc/75/00/03/1028750003.db2.gz RTGSBDNVFJPOQW-CYBMUJFWSA-N 1 2 327.236 3.750 20 30 EHEDLO C=CCn1cc(C[NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)nn1 ZINC000424289896 1028934002 /nfs/dbraw/zinc/93/40/02/1028934002.db2.gz AOBVTAUGEFBUCA-SFHVURJKSA-N 1 2 326.444 3.591 20 30 EHEDLO C[C@@]1(C#N)CCC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000614991385 1029198783 /nfs/dbraw/zinc/19/87/83/1029198783.db2.gz QPEPYMLXVIAQTP-HNNXBMFYSA-N 1 2 341.224 3.593 20 30 EHEDLO C[C@@]1(C#N)CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000614991385 1029198795 /nfs/dbraw/zinc/19/87/95/1029198795.db2.gz QPEPYMLXVIAQTP-HNNXBMFYSA-N 1 2 341.224 3.593 20 30 EHEDLO Cc1[nH]c2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2[nH+]1 ZINC000505234820 1029388527 /nfs/dbraw/zinc/38/85/27/1029388527.db2.gz ASWMBFUHJQSHJS-UHFFFAOYSA-N 1 2 334.354 3.552 20 30 EHEDLO CC1(C#N)CC[NH+](Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 ZINC000272482269 1029476949 /nfs/dbraw/zinc/47/69/49/1029476949.db2.gz BGCRLESNZJORTH-UHFFFAOYSA-N 1 2 338.430 3.626 20 30 EHEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000272520795 1029494600 /nfs/dbraw/zinc/49/46/00/1029494600.db2.gz HHVRFHCUTBUXAD-UHFFFAOYSA-N 1 2 333.435 3.918 20 30 EHEDLO C[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1cccc(C#N)c1 ZINC000026323373 1029639879 /nfs/dbraw/zinc/63/98/79/1029639879.db2.gz OYJOSSQNJBZTDY-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1cccc(C#N)c1 ZINC000026323373 1029639885 /nfs/dbraw/zinc/63/98/85/1029639885.db2.gz OYJOSSQNJBZTDY-UHFFFAOYSA-N 1 2 348.233 3.936 20 30 EHEDLO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1cccs1)c1cccc(C#N)c1O ZINC000925300804 1029965712 /nfs/dbraw/zinc/96/57/12/1029965712.db2.gz XXDNEOIUXSMEEE-RCBQFDQVSA-N 1 2 330.453 3.878 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCCN(C(C)C)C1=O ZINC000447854258 1030541812 /nfs/dbraw/zinc/54/18/12/1030541812.db2.gz KNEWSUHFFKNVAH-CQSZACIVSA-N 1 2 326.893 3.789 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCCN(C(C)C)C1=O ZINC000447854258 1030541818 /nfs/dbraw/zinc/54/18/18/1030541818.db2.gz KNEWSUHFFKNVAH-CQSZACIVSA-N 1 2 326.893 3.789 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093102531 1030560775 /nfs/dbraw/zinc/56/07/75/1030560775.db2.gz HBIKEIOJSYVAPE-SFHVURJKSA-N 1 2 344.455 3.675 20 30 EHEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093102531 1030560785 /nfs/dbraw/zinc/56/07/85/1030560785.db2.gz HBIKEIOJSYVAPE-SFHVURJKSA-N 1 2 344.455 3.675 20 30 EHEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000093841398 1030684117 /nfs/dbraw/zinc/68/41/17/1030684117.db2.gz OZJHZSIPMFQYNI-LJQANCHMSA-N 1 2 326.396 3.536 20 30 EHEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000093841398 1030684130 /nfs/dbraw/zinc/68/41/30/1030684130.db2.gz OZJHZSIPMFQYNI-LJQANCHMSA-N 1 2 326.396 3.536 20 30 EHEDLO C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCCCC2)n1cc[nH+]c1 ZINC000568096323 1030765931 /nfs/dbraw/zinc/76/59/31/1030765931.db2.gz XFCMXEVGDOASDG-LBPRGKRZSA-N 1 2 328.441 3.675 20 30 EHEDLO C=CC[N@H+](Cc1cncn1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000527324611 1030797652 /nfs/dbraw/zinc/79/76/52/1030797652.db2.gz YJCKDODMYUHEAG-UHFFFAOYSA-N 1 2 342.446 3.991 20 30 EHEDLO C=CC[N@@H+](Cc1cncn1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000527324611 1030797665 /nfs/dbraw/zinc/79/76/65/1030797665.db2.gz YJCKDODMYUHEAG-UHFFFAOYSA-N 1 2 342.446 3.991 20 30 EHEDLO Fc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(F)c1F ZINC000668283647 1031393281 /nfs/dbraw/zinc/39/32/81/1031393281.db2.gz UZAOYRSJWKKQGS-UHFFFAOYSA-N 1 2 327.243 3.970 20 30 EHEDLO C=CCc1cc(CNc2[nH+]c3ccccc3n2CC)cc(OC)c1O ZINC000460668783 1031965350 /nfs/dbraw/zinc/96/53/50/1031965350.db2.gz JBAOGEVJVFCNFS-UHFFFAOYSA-N 1 2 337.423 3.533 20 30 EHEDLO Cc1cc2ncn(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)c2cc1C ZINC000761297981 1033577005 /nfs/dbraw/zinc/57/70/05/1033577005.db2.gz BZJDFXRBQYDZQW-NRFANRHFSA-N 1 2 346.434 3.556 20 30 EHEDLO Cc1cc2ncn(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)c2cc1C ZINC000761297981 1033577013 /nfs/dbraw/zinc/57/70/13/1033577013.db2.gz BZJDFXRBQYDZQW-NRFANRHFSA-N 1 2 346.434 3.556 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000595613506 1033928234 /nfs/dbraw/zinc/92/82/34/1033928234.db2.gz FCXIFZZKITWBTO-LLVKDONJSA-N 1 2 326.227 3.558 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000595613506 1033928240 /nfs/dbraw/zinc/92/82/40/1033928240.db2.gz FCXIFZZKITWBTO-LLVKDONJSA-N 1 2 326.227 3.558 20 30 EHEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)ccn1 ZINC000595658653 1033939079 /nfs/dbraw/zinc/93/90/79/1033939079.db2.gz GTBNPCOYLVPTBK-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000450317577 1034103163 /nfs/dbraw/zinc/10/31/63/1034103163.db2.gz TZTGERIEBFCNQS-QZTJIDSGSA-N 1 2 348.437 3.963 20 30 EHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000450317577 1034103173 /nfs/dbraw/zinc/10/31/73/1034103173.db2.gz TZTGERIEBFCNQS-QZTJIDSGSA-N 1 2 348.437 3.963 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1csc(-c3ccccn3)n1)C2 ZINC000599686302 1034112502 /nfs/dbraw/zinc/11/25/02/1034112502.db2.gz PMVLNTMKBNQZQN-UHFFFAOYSA-N 1 2 346.459 3.829 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1csc(-c3ccccn3)n1)C2 ZINC000599686302 1034112506 /nfs/dbraw/zinc/11/25/06/1034112506.db2.gz PMVLNTMKBNQZQN-UHFFFAOYSA-N 1 2 346.459 3.829 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450400612 1034267038 /nfs/dbraw/zinc/26/70/38/1034267038.db2.gz GSLBQLSRQRFXSS-HOTGVXAUSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450400612 1034267046 /nfs/dbraw/zinc/26/70/46/1034267046.db2.gz GSLBQLSRQRFXSS-HOTGVXAUSA-N 1 2 338.854 3.943 20 30 EHEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1OCc1cccs1 ZINC000597191340 1034576401 /nfs/dbraw/zinc/57/64/01/1034576401.db2.gz FBXYEYRMQWFDTC-UHFFFAOYSA-N 1 2 328.437 3.681 20 30 EHEDLO CSc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)s1 ZINC000597182990 1034586843 /nfs/dbraw/zinc/58/68/43/1034586843.db2.gz HOBGLXRHHMEXLH-UHFFFAOYSA-N 1 2 335.523 3.725 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000171890601 1034706596 /nfs/dbraw/zinc/70/65/96/1034706596.db2.gz WHSOBQZYUHRLFG-AWEZNQCLSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000171890601 1034706613 /nfs/dbraw/zinc/70/66/13/1034706613.db2.gz WHSOBQZYUHRLFG-AWEZNQCLSA-N 1 2 331.489 3.597 20 30 EHEDLO C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000612406114 1034897981 /nfs/dbraw/zinc/89/79/81/1034897981.db2.gz IMAGRTPUVNZUHK-GOSISDBHSA-N 1 2 325.368 3.980 20 30 EHEDLO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000612406114 1034897985 /nfs/dbraw/zinc/89/79/85/1034897985.db2.gz IMAGRTPUVNZUHK-GOSISDBHSA-N 1 2 325.368 3.980 20 30 EHEDLO N#CC1(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000450893656 1034922371 /nfs/dbraw/zinc/92/23/71/1034922371.db2.gz HJVZBBLKUGOBDU-CYBMUJFWSA-N 1 2 332.753 3.676 20 30 EHEDLO C#CC[N@@H+](Cc1ccn(CC(F)(F)F)n1)[C@H]1CCc2ccccc21 ZINC000491298600 1035587948 /nfs/dbraw/zinc/58/79/48/1035587948.db2.gz WCTNOPIDNRUJEH-KRWDZBQOSA-N 1 2 333.357 3.568 20 30 EHEDLO C#CC[N@H+](Cc1ccn(CC(F)(F)F)n1)[C@H]1CCc2ccccc21 ZINC000491298600 1035587962 /nfs/dbraw/zinc/58/79/62/1035587962.db2.gz WCTNOPIDNRUJEH-KRWDZBQOSA-N 1 2 333.357 3.568 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(F)cc1Cl ZINC000491316218 1036232717 /nfs/dbraw/zinc/23/27/17/1036232717.db2.gz KYBPDJMUFUUZMY-UHFFFAOYSA-N 1 2 336.794 3.741 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(F)cc1Cl ZINC000491316218 1036232735 /nfs/dbraw/zinc/23/27/35/1036232735.db2.gz KYBPDJMUFUUZMY-UHFFFAOYSA-N 1 2 336.794 3.741 20 30 EHEDLO CC[N@H+](CCC#N)Cc1ccc(Br)c(Br)c1 ZINC000127619209 1036840863 /nfs/dbraw/zinc/84/08/63/1036840863.db2.gz IMOWHXZPGUBSNI-UHFFFAOYSA-N 1 2 346.066 3.947 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1ccc(Br)c(Br)c1 ZINC000127619209 1036840887 /nfs/dbraw/zinc/84/08/87/1036840887.db2.gz IMOWHXZPGUBSNI-UHFFFAOYSA-N 1 2 346.066 3.947 20 30 EHEDLO CN(C)c1ccc([NH+]2CCC(Nc3cccc(F)c3C#N)CC2)cc1 ZINC000078413014 1037200175 /nfs/dbraw/zinc/20/01/75/1037200175.db2.gz GFMRLCLOLIHVCQ-UHFFFAOYSA-N 1 2 338.430 3.844 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539827317 1037251680 /nfs/dbraw/zinc/25/16/80/1037251680.db2.gz QEMWZWABEXMZOI-CTNGQTDRSA-N 1 2 343.434 3.743 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539827317 1037251692 /nfs/dbraw/zinc/25/16/92/1037251692.db2.gz QEMWZWABEXMZOI-CTNGQTDRSA-N 1 2 343.434 3.743 20 30 EHEDLO N#CCn1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc2ccccc21 ZINC000609162406 1037253263 /nfs/dbraw/zinc/25/32/63/1037253263.db2.gz HZZZHWKXUJZACR-UHFFFAOYSA-N 1 2 341.374 3.603 20 30 EHEDLO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000591248382 1037288691 /nfs/dbraw/zinc/28/86/91/1037288691.db2.gz WABCECMDXFZOJV-CQSZACIVSA-N 1 2 332.329 3.534 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc(-c4ccco4)on3)CC2)c1 ZINC000104714361 1037361858 /nfs/dbraw/zinc/36/18/58/1037361858.db2.gz YHLFPASKNMRVPN-UHFFFAOYSA-N 1 2 349.390 3.850 20 30 EHEDLO C#C[C@H]([NH2+]Cc1c(C)nc2sc(C)nn12)c1ccc(Cl)cc1 ZINC000491777036 1037683966 /nfs/dbraw/zinc/68/39/66/1037683966.db2.gz GZFXFYJJRHEWLX-AWEZNQCLSA-N 1 2 330.844 3.525 20 30 EHEDLO COc1ccc(C([NH2+]C[C@H](C#N)CCC#N)c2ccc(OC)cc2)cc1 ZINC000030536304 1037974358 /nfs/dbraw/zinc/97/43/58/1037974358.db2.gz BMZUUJHUACNNEM-INIZCTEOSA-N 1 2 349.434 3.826 20 30 EHEDLO C=CCOc1cccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000538739115 1038503099 /nfs/dbraw/zinc/50/30/99/1038503099.db2.gz HBWUKGBDNLMOFH-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO C=CCOc1cccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000538739115 1038503109 /nfs/dbraw/zinc/50/31/09/1038503109.db2.gz HBWUKGBDNLMOFH-UHFFFAOYSA-N 1 2 346.377 3.600 20 30 EHEDLO C#CC[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000378533602 1038704233 /nfs/dbraw/zinc/70/42/33/1038704233.db2.gz XIRQSCQLEGKKHF-KRWDZBQOSA-N 1 2 339.345 3.869 20 30 EHEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000582071150 1038885559 /nfs/dbraw/zinc/88/55/59/1038885559.db2.gz JGAHZFFODGDYAJ-FZMZJTMJSA-N 1 2 346.431 3.558 20 30 EHEDLO C=CC[N@@H+](Cc1cnc2cc(C)ccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512379646 1038929439 /nfs/dbraw/zinc/92/94/39/1038929439.db2.gz MMABJVYSVGTMPL-UHFFFAOYSA-N 1 2 336.395 3.739 20 30 EHEDLO C=CC[N@H+](Cc1cnc2cc(C)ccn12)Cc1cccc([N+](=O)[O-])c1 ZINC000512379646 1038929449 /nfs/dbraw/zinc/92/94/49/1038929449.db2.gz MMABJVYSVGTMPL-UHFFFAOYSA-N 1 2 336.395 3.739 20 30 EHEDLO N#Cc1ccc(/C=C/c2c[nH+]c3ccc(Br)cn23)nc1 ZINC000172544354 1039440503 /nfs/dbraw/zinc/44/05/03/1039440503.db2.gz FWMXGBCAGACLOJ-SNAWJCMRSA-N 1 2 325.169 3.534 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1Cl ZINC000549796604 1039890798 /nfs/dbraw/zinc/89/07/98/1039890798.db2.gz FAJYIKMSDGBIEM-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1Cl ZINC000549796604 1039890817 /nfs/dbraw/zinc/89/08/17/1039890817.db2.gz FAJYIKMSDGBIEM-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3cccc(C#N)c3)n2)cc1F ZINC000489712513 1040148752 /nfs/dbraw/zinc/14/87/52/1040148752.db2.gz INYYMMXARFIXKJ-ZDUSSCGKSA-N 1 2 336.370 3.907 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@H](C)CC#N)o2)cc1 ZINC000614233431 1040779369 /nfs/dbraw/zinc/77/93/69/1040779369.db2.gz DVPSIYIIADMUTL-CQSZACIVSA-N 1 2 326.396 3.857 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@H](C)CC#N)o2)cc1 ZINC000614233431 1040779374 /nfs/dbraw/zinc/77/93/74/1040779374.db2.gz DVPSIYIIADMUTL-CQSZACIVSA-N 1 2 326.396 3.857 20 30 EHEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000609486177 1042983388 /nfs/dbraw/zinc/98/33/88/1042983388.db2.gz FFZDDCDNEDMXNG-SFHVURJKSA-N 1 2 342.874 3.554 20 30 EHEDLO C=CCSc1nc2ccccc2n1C[N@H+](CCC#N)CC1CC1 ZINC000728904423 1043935176 /nfs/dbraw/zinc/93/51/76/1043935176.db2.gz BXOHXINHUNKCLW-UHFFFAOYSA-N 1 2 326.469 3.898 20 30 EHEDLO C=CCSc1nc2ccccc2n1C[N@@H+](CCC#N)CC1CC1 ZINC000728904423 1043935183 /nfs/dbraw/zinc/93/51/83/1043935183.db2.gz BXOHXINHUNKCLW-UHFFFAOYSA-N 1 2 326.469 3.898 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000184984149 1126728623 /nfs/dbraw/zinc/72/86/23/1126728623.db2.gz XXJOVLMTMYVPNC-KBPBESRZSA-N 1 2 332.473 3.938 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000184984149 1126728626 /nfs/dbraw/zinc/72/86/26/1126728626.db2.gz XXJOVLMTMYVPNC-KBPBESRZSA-N 1 2 332.473 3.938 20 30 EHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194814132 1127467642 /nfs/dbraw/zinc/46/76/42/1127467642.db2.gz XOGVNLLIPFNSLG-UHFFFAOYSA-N 1 2 347.418 3.709 20 30 EHEDLO CCOc1cccc(/C=[NH+]\CCc2nc3c(s2)CCCC3)c1O ZINC000765499333 1127624218 /nfs/dbraw/zinc/62/42/18/1127624218.db2.gz HUCPHKUTNTZXEQ-UNOMPAQXSA-N 1 2 330.453 3.788 20 30 EHEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)cc1C#N ZINC001168605504 1128343327 /nfs/dbraw/zinc/34/33/27/1128343327.db2.gz XUEBDPQAYRNSKT-HOTGVXAUSA-N 1 2 343.471 3.696 20 30 EHEDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)cc1C#N ZINC001168605504 1128343332 /nfs/dbraw/zinc/34/33/32/1128343332.db2.gz XUEBDPQAYRNSKT-HOTGVXAUSA-N 1 2 343.471 3.696 20 30 EHEDLO COC(=O)c1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1C#N ZINC000553334541 1128411859 /nfs/dbraw/zinc/41/18/59/1128411859.db2.gz RGWSHYSMUMNCBP-UHFFFAOYSA-N 1 2 340.810 3.777 20 30 EHEDLO C[NH+](C)[C@H](CNc1ccc(Cl)c(C#N)n1)c1c(F)cccc1F ZINC000301308974 1128583203 /nfs/dbraw/zinc/58/32/03/1128583203.db2.gz XECJSJNQJQCACI-CQSZACIVSA-N 1 2 336.773 3.600 20 30 EHEDLO C[N@@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000302837337 1128650424 /nfs/dbraw/zinc/65/04/24/1128650424.db2.gz XLGUVTKYZQQNCQ-SJLPKXTDSA-N 1 2 349.331 3.972 20 30 EHEDLO C[N@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000302837337 1128650427 /nfs/dbraw/zinc/65/04/27/1128650427.db2.gz XLGUVTKYZQQNCQ-SJLPKXTDSA-N 1 2 349.331 3.972 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944250 1120437137 /nfs/dbraw/zinc/43/71/37/1120437137.db2.gz VVLNAHRBZIBCIE-AFAVFJNCSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944250 1120437139 /nfs/dbraw/zinc/43/71/39/1120437139.db2.gz VVLNAHRBZIBCIE-AFAVFJNCSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000187108318 1120486284 /nfs/dbraw/zinc/48/62/84/1120486284.db2.gz XSIMVBXINIJXPD-SFHVURJKSA-N 1 2 349.409 3.988 20 30 EHEDLO C=CCOc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194387980 1120840145 /nfs/dbraw/zinc/84/01/45/1120840145.db2.gz CYGSZSDAHXPZKZ-UHFFFAOYSA-N 1 2 337.354 3.829 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000193178117 1120961835 /nfs/dbraw/zinc/96/18/35/1120961835.db2.gz PCIVXZJZWPPSGJ-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000193178117 1120961840 /nfs/dbraw/zinc/96/18/40/1120961840.db2.gz PCIVXZJZWPPSGJ-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO COc1cccc([C@H](C)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000487866697 1120993589 /nfs/dbraw/zinc/99/35/89/1120993589.db2.gz BEVLVEWCJNOPFC-SFHVURJKSA-N 1 2 349.478 3.754 20 30 EHEDLO C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(C#N)c1 ZINC000272227921 1121102050 /nfs/dbraw/zinc/10/20/50/1121102050.db2.gz HDEKOBDGUJVGAL-OWCLPIDISA-N 1 2 336.439 3.740 20 30 EHEDLO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000153544271 1121290725 /nfs/dbraw/zinc/29/07/25/1121290725.db2.gz DSNKAMFXAPBHCS-LBPRGKRZSA-N 1 2 331.803 3.654 20 30 EHEDLO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000153544271 1121290730 /nfs/dbraw/zinc/29/07/30/1121290730.db2.gz DSNKAMFXAPBHCS-LBPRGKRZSA-N 1 2 331.803 3.654 20 30 EHEDLO Clc1cnc(N=NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000915947059 1121990009 /nfs/dbraw/zinc/99/00/09/1121990009.db2.gz ATNPMJYSTCXSPK-UHFFFAOYSA-N 1 2 336.226 3.852 20 30 EHEDLO N#Cc1cc(F)c(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(F)c1 ZINC000496933137 1122212651 /nfs/dbraw/zinc/21/26/51/1122212651.db2.gz CUENQBMIRZFNRT-DAXSKMNVSA-N 1 2 339.389 3.672 20 30 EHEDLO C[C@H]1CCN(c2ccc(Br)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000272779966 1122214176 /nfs/dbraw/zinc/21/41/76/1122214176.db2.gz AACIPZKMBMEEAG-LRDDRELGSA-N 1 2 345.244 3.605 20 30 EHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3csc(Cl)c3)C2)CC1 ZINC001142760478 1122477775 /nfs/dbraw/zinc/47/77/75/1122477775.db2.gz WAQHMYULUVWMTD-UHFFFAOYSA-N 1 2 340.876 3.622 20 30 EHEDLO C[C@H]([N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098987 1122493300 /nfs/dbraw/zinc/49/33/00/1122493300.db2.gz YFLPLUSMDCIGRQ-STQMWFEESA-N 1 2 329.469 3.839 20 30 EHEDLO C[C@H]([N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C)(C)C ZINC000917098987 1122493302 /nfs/dbraw/zinc/49/33/02/1122493302.db2.gz YFLPLUSMDCIGRQ-STQMWFEESA-N 1 2 329.469 3.839 20 30 EHEDLO NC(=[NH+]OCc1c(Cl)ccc2cccnc21)c1ccc(F)cc1 ZINC000917394267 1122591094 /nfs/dbraw/zinc/59/10/94/1122591094.db2.gz GFDXFUCRWRMJJI-UHFFFAOYSA-N 1 2 329.762 3.864 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000072560743 1123118940 /nfs/dbraw/zinc/11/89/40/1123118940.db2.gz SLYIVNJVOVSHHS-UHFFFAOYSA-N 1 2 339.395 3.530 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000072560743 1123118941 /nfs/dbraw/zinc/11/89/41/1123118941.db2.gz SLYIVNJVOVSHHS-UHFFFAOYSA-N 1 2 339.395 3.530 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCCCC1 ZINC000499064349 1123182801 /nfs/dbraw/zinc/18/28/01/1123182801.db2.gz JITZHWWIVNUTHD-CYBMUJFWSA-N 1 2 326.893 3.791 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCCCC1 ZINC000499064349 1123182804 /nfs/dbraw/zinc/18/28/04/1123182804.db2.gz JITZHWWIVNUTHD-CYBMUJFWSA-N 1 2 326.893 3.791 20 30 EHEDLO CC[N@@H+](Cc1ccc(-c2ccccc2C(=O)OC)o1)C[C@@H](C)C#N ZINC000132222651 1123211176 /nfs/dbraw/zinc/21/11/76/1123211176.db2.gz VPHNMAOTNIWAPJ-AWEZNQCLSA-N 1 2 326.396 3.715 20 30 EHEDLO CC[N@H+](Cc1ccc(-c2ccccc2C(=O)OC)o1)C[C@@H](C)C#N ZINC000132222651 1123211177 /nfs/dbraw/zinc/21/11/77/1123211177.db2.gz VPHNMAOTNIWAPJ-AWEZNQCLSA-N 1 2 326.396 3.715 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1OC ZINC000556967517 1123243008 /nfs/dbraw/zinc/24/30/08/1123243008.db2.gz NOQNRKMTKWXSIT-LEWJYISDSA-N 1 2 343.467 3.794 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1OC ZINC000556967517 1123243012 /nfs/dbraw/zinc/24/30/12/1123243012.db2.gz NOQNRKMTKWXSIT-LEWJYISDSA-N 1 2 343.467 3.794 20 30 EHEDLO N#Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000155197823 1123304513 /nfs/dbraw/zinc/30/45/13/1123304513.db2.gz NTFIWUQXPYOULX-UHFFFAOYSA-N 1 2 340.745 3.789 20 30 EHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615231819 1123389432 /nfs/dbraw/zinc/38/94/32/1123389432.db2.gz BSTXSLKKWZZXFC-CQSZACIVSA-N 1 2 332.753 3.755 20 30 EHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615231819 1123389435 /nfs/dbraw/zinc/38/94/35/1123389435.db2.gz BSTXSLKKWZZXFC-CQSZACIVSA-N 1 2 332.753 3.755 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000609427569 1123577889 /nfs/dbraw/zinc/57/78/89/1123577889.db2.gz KWLYRZNRFOYBMT-AWEZNQCLSA-N 1 2 328.441 3.696 20 30 EHEDLO CCCC[C@H](CC)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609761724 1123662565 /nfs/dbraw/zinc/66/25/65/1123662565.db2.gz ZTFBQBOXFCCJJW-SFHVURJKSA-N 1 2 341.499 3.809 20 30 EHEDLO Cc1ncc(CO)c(/C=[NH+]\CCCc2ccc(C(C)C)cc2)c1O ZINC000734979485 1131298114 /nfs/dbraw/zinc/29/81/14/1131298114.db2.gz QEAHQXXLZCMYQP-MTJSOVHGSA-N 1 2 326.440 3.763 20 30 EHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000619722975 1125388952 /nfs/dbraw/zinc/38/89/52/1125388952.db2.gz WSNRFYLGWMELLN-UHFFFAOYSA-N 1 2 346.356 3.553 20 30 EHEDLO CCC1(CC)C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330919739 1129648664 /nfs/dbraw/zinc/64/86/64/1129648664.db2.gz OHSDQRBZCRAWRU-ZDUSSCGKSA-N 1 2 349.500 3.703 20 30 EHEDLO CCC1(CC)C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CCS1 ZINC000330919739 1129648666 /nfs/dbraw/zinc/64/86/66/1129648666.db2.gz OHSDQRBZCRAWRU-ZDUSSCGKSA-N 1 2 349.500 3.703 20 30 EHEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(Cl)c1 ZINC000173503266 1130238732 /nfs/dbraw/zinc/23/87/32/1130238732.db2.gz UNANENYYBHMWMP-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1cccc(Cl)c1 ZINC000173503266 1130238738 /nfs/dbraw/zinc/23/87/38/1130238738.db2.gz UNANENYYBHMWMP-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000429251386 1130365690 /nfs/dbraw/zinc/36/56/90/1130365690.db2.gz BCARFCADPQKMKI-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000429251386 1130365695 /nfs/dbraw/zinc/36/56/95/1130365695.db2.gz BCARFCADPQKMKI-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1C#N ZINC000246818485 1130415344 /nfs/dbraw/zinc/41/53/44/1130415344.db2.gz NPBPHUQDYNFROH-ACJLOTCBSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1C#N ZINC000246818485 1130415347 /nfs/dbraw/zinc/41/53/47/1130415347.db2.gz NPBPHUQDYNFROH-ACJLOTCBSA-N 1 2 328.437 3.590 20 30 EHEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000730146798 1130678488 /nfs/dbraw/zinc/67/84/88/1130678488.db2.gz GTGGKIMIEIZFGE-GOSISDBHSA-N 1 2 347.418 3.661 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1C ZINC000732105014 1130887224 /nfs/dbraw/zinc/88/72/24/1130887224.db2.gz LRYMWOCBDBGVLO-FQEVSTJZSA-N 1 2 334.419 3.823 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1C ZINC000732105014 1130887227 /nfs/dbraw/zinc/88/72/27/1130887227.db2.gz LRYMWOCBDBGVLO-FQEVSTJZSA-N 1 2 334.419 3.823 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](c3ccco3)C2)nc1C1CC1 ZINC000732184249 1130894734 /nfs/dbraw/zinc/89/47/34/1130894734.db2.gz YKNCLZIYTLXXGT-AWEZNQCLSA-N 1 2 330.457 3.517 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](c3ccco3)C2)nc1C1CC1 ZINC000732184249 1130894740 /nfs/dbraw/zinc/89/47/40/1130894740.db2.gz YKNCLZIYTLXXGT-AWEZNQCLSA-N 1 2 330.457 3.517 20 30 EHEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1ccc(N(C)C)cc1 ZINC000732711532 1130947400 /nfs/dbraw/zinc/94/74/00/1130947400.db2.gz CQJZYOGTRFSKCE-UHFFFAOYSA-N 1 2 333.233 3.746 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000741448050 1131603861 /nfs/dbraw/zinc/60/38/61/1131603861.db2.gz WVKNPYBRUYIHHB-LBPRGKRZSA-N 1 2 335.860 3.812 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000741448050 1131603864 /nfs/dbraw/zinc/60/38/64/1131603864.db2.gz WVKNPYBRUYIHHB-LBPRGKRZSA-N 1 2 335.860 3.812 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000741448047 1131603994 /nfs/dbraw/zinc/60/39/94/1131603994.db2.gz WVKNPYBRUYIHHB-GFCCVEGCSA-N 1 2 335.860 3.812 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000741448047 1131603997 /nfs/dbraw/zinc/60/39/97/1131603997.db2.gz WVKNPYBRUYIHHB-GFCCVEGCSA-N 1 2 335.860 3.812 20 30 EHEDLO CCCCCCCC[C@@H](CC)[NH2+][C@H](Cc1cncn1C)C(=O)OC ZINC001172501932 1131761154 /nfs/dbraw/zinc/76/11/54/1131761154.db2.gz FVWOKJICSVTLQW-SJLPKXTDSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCCC[C@@H](CC)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172501932 1131761159 /nfs/dbraw/zinc/76/11/59/1131761159.db2.gz FVWOKJICSVTLQW-SJLPKXTDSA-N 1 2 337.508 3.623 20 30 EHEDLO C=C1CC=C(F)C=C1[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172999945 1131933105 /nfs/dbraw/zinc/93/31/05/1131933105.db2.gz UURMJVLXPDUEKW-UHFFFAOYSA-N 1 2 330.378 3.717 20 30 EHEDLO C=C1CC=C(F)C=C1[NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001173405175 1132066121 /nfs/dbraw/zinc/06/61/21/1132066121.db2.gz VFZBWSGNHARAJT-UHFFFAOYSA-N 1 2 342.414 3.587 20 30 EHEDLO N#Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c(C(F)(F)F)c1 ZINC001174977021 1132511110 /nfs/dbraw/zinc/51/11/10/1132511110.db2.gz KDRHMNYVSXCYBS-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO C[Si](C)(C)C#Cc1ccc(NCCc2cn3ccccc3[nH+]2)cn1 ZINC001169009557 1132631211 /nfs/dbraw/zinc/63/12/11/1132631211.db2.gz QMZRZRGHSZTBIY-UHFFFAOYSA-N 1 2 334.499 3.613 20 30 EHEDLO C=CCOC(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC001175352837 1132646810 /nfs/dbraw/zinc/64/68/10/1132646810.db2.gz SUQUILMALGTFLH-UHFFFAOYSA-N 1 2 341.386 3.907 20 30 EHEDLO N#Cc1oc2ccccc2c1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176956350 1133015300 /nfs/dbraw/zinc/01/53/00/1133015300.db2.gz BPPNAJKPCQRBGG-CQSZACIVSA-N 1 2 346.390 3.555 20 30 EHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc3cc(C)c(C)cc3c2C)C1 ZINC001177758711 1133099393 /nfs/dbraw/zinc/09/93/93/1133099393.db2.gz FJALWUIMNUDIKD-MRXNPFEDSA-N 1 2 340.492 3.654 20 30 EHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc3cc(C)c(C)cc3c2C)C1 ZINC001177758711 1133099399 /nfs/dbraw/zinc/09/93/99/1133099399.db2.gz FJALWUIMNUDIKD-MRXNPFEDSA-N 1 2 340.492 3.654 20 30 EHEDLO CC(C)C[N@H+](CCC#N)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000768153184 1133102725 /nfs/dbraw/zinc/10/27/25/1133102725.db2.gz AIGHPMYEGWUEGP-UHFFFAOYSA-N 1 2 330.863 3.956 20 30 EHEDLO CC(C)C[N@@H+](CCC#N)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000768153184 1133102727 /nfs/dbraw/zinc/10/27/27/1133102727.db2.gz AIGHPMYEGWUEGP-UHFFFAOYSA-N 1 2 330.863 3.956 20 30 EHEDLO C=CCc1cc(C[NH2+]Cc2ncc(Cl)s2)cc(OC)c1OC ZINC000769910710 1133357579 /nfs/dbraw/zinc/35/75/79/1133357579.db2.gz HAXLCLAGMGFQNO-UHFFFAOYSA-N 1 2 338.860 3.832 20 30 EHEDLO FC(F)(F)c1cnc(N=NCc2cccc3[nH+]ccn32)c(Cl)c1 ZINC000771087558 1133505420 /nfs/dbraw/zinc/50/54/20/1133505420.db2.gz GGKYKCQWVKEJSR-UHFFFAOYSA-N 1 2 339.708 3.848 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000746690599 1134016287 /nfs/dbraw/zinc/01/62/87/1134016287.db2.gz LGUHIVZGWPXUQZ-ZOCZFRKYSA-N 1 2 336.435 3.917 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000746690599 1134016293 /nfs/dbraw/zinc/01/62/93/1134016293.db2.gz LGUHIVZGWPXUQZ-ZOCZFRKYSA-N 1 2 336.435 3.917 20 30 EHEDLO C#Cc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000787779517 1134040408 /nfs/dbraw/zinc/04/04/08/1134040408.db2.gz YUQRKMDUKPYTAV-UHFFFAOYSA-N 1 2 341.458 3.665 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1F)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774851351 1134066118 /nfs/dbraw/zinc/06/61/18/1134066118.db2.gz BYVWXROUPQTYSA-UHFFFAOYSA-N 1 2 346.358 3.636 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774851351 1134066124 /nfs/dbraw/zinc/06/61/24/1134066124.db2.gz BYVWXROUPQTYSA-UHFFFAOYSA-N 1 2 346.358 3.636 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2SCC)c1 ZINC001190400349 1134691882 /nfs/dbraw/zinc/69/18/82/1134691882.db2.gz YGDCEMWGTCZBNG-UHFFFAOYSA-N 1 2 338.476 3.850 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2SCC)c1 ZINC001190400349 1134691887 /nfs/dbraw/zinc/69/18/87/1134691887.db2.gz YGDCEMWGTCZBNG-UHFFFAOYSA-N 1 2 338.476 3.850 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000792939192 1134821067 /nfs/dbraw/zinc/82/10/67/1134821067.db2.gz FXLWMXQUJFHTHN-HXUWFJFHSA-N 1 2 332.403 3.562 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC=C(c2ccccc2)C1 ZINC000792939192 1134821074 /nfs/dbraw/zinc/82/10/74/1134821074.db2.gz FXLWMXQUJFHTHN-HXUWFJFHSA-N 1 2 332.403 3.562 20 30 EHEDLO C=C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001131135018 1135608508 /nfs/dbraw/zinc/60/85/08/1135608508.db2.gz UUDYDAJVWNYZLT-GOSISDBHSA-N 1 2 349.346 3.865 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808145595 1135624466 /nfs/dbraw/zinc/62/44/66/1135624466.db2.gz RDTIHHGBGXKDBY-HXUWFJFHSA-N 1 2 349.478 3.679 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808145595 1135624467 /nfs/dbraw/zinc/62/44/67/1135624467.db2.gz RDTIHHGBGXKDBY-HXUWFJFHSA-N 1 2 349.478 3.679 20 30 EHEDLO N#Cc1cc(Br)ccc1CO[NH+]=C(N)Cc1ccccc1 ZINC000808252217 1135635814 /nfs/dbraw/zinc/63/58/14/1135635814.db2.gz RCUUXOIPKGYNOG-UHFFFAOYSA-N 1 2 344.212 3.562 20 30 EHEDLO N#Cc1cccc(NC(=S)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001197712930 1135729566 /nfs/dbraw/zinc/72/95/66/1135729566.db2.gz ZMEHYRPIDDBBBZ-UHFFFAOYSA-N 1 2 333.420 3.612 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(Cl)cc1F ZINC000809700196 1135869237 /nfs/dbraw/zinc/86/92/37/1135869237.db2.gz ZZDNDNHZTWXVQZ-LJQANCHMSA-N 1 2 347.817 3.968 20 30 EHEDLO CC[C@H](O)CN[NH+]=Cc1sc(Nc2ccc(C)cc2)nc1Cl ZINC000811656339 1136114195 /nfs/dbraw/zinc/11/41/95/1136114195.db2.gz KECYMXRIAZXUOU-LBPRGKRZSA-N 1 2 338.864 3.543 20 30 EHEDLO C#C[C@H]([NH2+][C@@H](C)c1csc(-c2ccccc2F)n1)[C@H]1CCCO1 ZINC000812731306 1136238318 /nfs/dbraw/zinc/23/83/18/1136238318.db2.gz JDMXPUNHCBSJNI-YLQAJVPDSA-N 1 2 330.428 3.781 20 30 EHEDLO C=C1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC001133543790 1136280286 /nfs/dbraw/zinc/28/02/86/1136280286.db2.gz LXLGPCWLTCHVMF-LJQANCHMSA-N 1 2 344.524 3.639 20 30 EHEDLO CCOC(=O)C[C@H]1CC[C@H](Nc2cc(C3(C#N)CC3)cc[nH+]2)CC1 ZINC001170697507 1136295367 /nfs/dbraw/zinc/29/53/67/1136295367.db2.gz ITRZAWRFDDSQAA-KOMQPUFPSA-N 1 2 327.428 3.561 20 30 EHEDLO N#Cc1ccc(OC2CC[NH+](CC=C(Cl)Cl)CC2)c(F)c1 ZINC000852045666 1136428869 /nfs/dbraw/zinc/42/88/69/1136428869.db2.gz XZMMEZGNZDKKNV-UHFFFAOYSA-N 1 2 329.202 3.860 20 30 EHEDLO C#C[C@](C)(CC)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000852099016 1136433364 /nfs/dbraw/zinc/43/33/64/1136433364.db2.gz BIECRVNELPCNFG-GOSISDBHSA-N 1 2 345.443 3.858 20 30 EHEDLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852699856 1136479231 /nfs/dbraw/zinc/47/92/31/1136479231.db2.gz DVWWJGVTPGNIBC-JALIKCBVSA-N 1 2 339.464 3.735 20 30 EHEDLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852699856 1136479233 /nfs/dbraw/zinc/47/92/33/1136479233.db2.gz DVWWJGVTPGNIBC-JALIKCBVSA-N 1 2 339.464 3.735 20 30 EHEDLO COc1cccc(-c2n[nH]cc2C=NNc2cc[nH+]c3ccccc23)c1 ZINC000814841124 1136514276 /nfs/dbraw/zinc/51/42/76/1136514276.db2.gz BWUFLVSRSLNVDV-UHFFFAOYSA-N 1 2 343.390 3.501 20 30 EHEDLO CC(=[NH+]Nc1ccc(Br)cc1Cl)c1ccc(N)nc1 ZINC000814884960 1136520527 /nfs/dbraw/zinc/52/05/27/1136520527.db2.gz GOBGPLXCOULQMS-UHFFFAOYSA-N 1 2 339.624 3.916 20 30 EHEDLO OC1CCN(c2ccc(C=[NH+]Nc3cccc(Cl)c3F)cc2)CC1 ZINC000853297241 1136524382 /nfs/dbraw/zinc/52/43/82/1136524382.db2.gz XNCQXLCILNFESI-UHFFFAOYSA-N 1 2 347.821 3.886 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2ncn(-c3ccccc3OC)c2=S)C1 ZINC000853536958 1136542458 /nfs/dbraw/zinc/54/24/58/1136542458.db2.gz KZGAOLJKEABGFS-OAHLLOKOSA-N 1 2 344.484 3.657 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2ncn(-c3ccccc3OC)c2=S)C1 ZINC000853536958 1136542460 /nfs/dbraw/zinc/54/24/60/1136542460.db2.gz KZGAOLJKEABGFS-OAHLLOKOSA-N 1 2 344.484 3.657 20 30 EHEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000854056572 1136584170 /nfs/dbraw/zinc/58/41/70/1136584170.db2.gz NFYLJSOAGOIZRI-UHFFFAOYSA-N 1 2 344.846 3.550 20 30 EHEDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000854056572 1136584173 /nfs/dbraw/zinc/58/41/73/1136584173.db2.gz NFYLJSOAGOIZRI-UHFFFAOYSA-N 1 2 344.846 3.550 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccnc(OC(C)C)c1 ZINC000820682285 1137000800 /nfs/dbraw/zinc/00/08/00/1137000800.db2.gz PZYVTKMSWZYIPD-UHFFFAOYSA-N 1 2 325.412 3.668 20 30 EHEDLO Cc1ccc(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(N(C)C)[nH+]1 ZINC000824247404 1137130205 /nfs/dbraw/zinc/13/02/05/1137130205.db2.gz QCPRRCHQWNVWBH-CQSZACIVSA-N 1 2 337.427 3.553 20 30 EHEDLO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)nccc2NC(=O)OC(C)(C)C)C1 ZINC001136899343 1137143160 /nfs/dbraw/zinc/14/31/60/1137143160.db2.gz VOBOZEJIQVZRIN-ZDUSSCGKSA-N 1 2 349.862 3.927 20 30 EHEDLO C#C[C@H]1CCC[N@H+](Cc2c(Cl)nccc2NC(=O)OC(C)(C)C)C1 ZINC001136899343 1137143161 /nfs/dbraw/zinc/14/31/61/1137143161.db2.gz VOBOZEJIQVZRIN-ZDUSSCGKSA-N 1 2 349.862 3.927 20 30 EHEDLO Cc1ccc2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)[nH]c2c1 ZINC000824950862 1137159025 /nfs/dbraw/zinc/15/90/25/1137159025.db2.gz YHZOTPYMGRJHBO-NRFANRHFSA-N 1 2 331.419 3.922 20 30 EHEDLO Cc1ccc2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)[nH]c2c1 ZINC000824950862 1137159026 /nfs/dbraw/zinc/15/90/26/1137159026.db2.gz YHZOTPYMGRJHBO-NRFANRHFSA-N 1 2 331.419 3.922 20 30 EHEDLO CCCC[N@H+](CCC#N)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143691133 1137189633 /nfs/dbraw/zinc/18/96/33/1137189633.db2.gz BQZDWVJGNYGAQF-UHFFFAOYSA-N 1 2 332.448 3.944 20 30 EHEDLO CCCC[N@@H+](CCC#N)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143691133 1137189634 /nfs/dbraw/zinc/18/96/34/1137189634.db2.gz BQZDWVJGNYGAQF-UHFFFAOYSA-N 1 2 332.448 3.944 20 30 EHEDLO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143725154 1137194053 /nfs/dbraw/zinc/19/40/53/1137194053.db2.gz WXONTZPTJQAGIW-BEFAXECRSA-N 1 2 348.874 3.619 20 30 EHEDLO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143725154 1137194054 /nfs/dbraw/zinc/19/40/54/1137194054.db2.gz WXONTZPTJQAGIW-BEFAXECRSA-N 1 2 348.874 3.619 20 30 EHEDLO N#Cc1cccc(Cl)c1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001143723117 1137194132 /nfs/dbraw/zinc/19/41/32/1137194132.db2.gz MYRXNUFVEHCLHL-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO CSCCON=C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000794571959 1137208666 /nfs/dbraw/zinc/20/86/66/1137208666.db2.gz IHXMRAIKTHGVPJ-UHFFFAOYSA-N 1 2 330.856 3.811 20 30 EHEDLO CC(C)CCc1nc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cs1 ZINC000844368453 1137215909 /nfs/dbraw/zinc/21/59/09/1137215909.db2.gz FLTVBLNJMHWQDL-SFHVURJKSA-N 1 2 343.496 3.769 20 30 EHEDLO CC(C)CCc1nc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cs1 ZINC000844368453 1137215910 /nfs/dbraw/zinc/21/59/10/1137215910.db2.gz FLTVBLNJMHWQDL-SFHVURJKSA-N 1 2 343.496 3.769 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(OC(F)(F)F)c1 ZINC001144055130 1137235365 /nfs/dbraw/zinc/23/53/65/1137235365.db2.gz BLUPZNAZCTVJEW-LBPRGKRZSA-N 1 2 328.334 3.719 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(OC(F)(F)F)c1 ZINC001144055130 1137235366 /nfs/dbraw/zinc/23/53/66/1137235366.db2.gz BLUPZNAZCTVJEW-LBPRGKRZSA-N 1 2 328.334 3.719 20 30 EHEDLO N#CCc1ccsc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000864976120 1137256047 /nfs/dbraw/zinc/25/60/47/1137256047.db2.gz GCOWCGOERCHBQU-UHFFFAOYSA-N 1 2 346.481 3.509 20 30 EHEDLO N#CC1(c2cc[nH+]c(NCc3cc(Br)ccc3O)c2)CC1 ZINC001171174950 1137285859 /nfs/dbraw/zinc/28/58/59/1137285859.db2.gz BOWZXRKQZPVFLJ-UHFFFAOYSA-N 1 2 344.212 3.717 20 30 EHEDLO Cc1cc(F)c(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(Cl)c1 ZINC000846008615 1137325183 /nfs/dbraw/zinc/32/51/83/1137325183.db2.gz WMBKICUHOKIPSA-GOSISDBHSA-N 1 2 332.806 3.825 20 30 EHEDLO Cc1cc(F)c(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(Cl)c1 ZINC000846008615 1137325185 /nfs/dbraw/zinc/32/51/85/1137325185.db2.gz WMBKICUHOKIPSA-GOSISDBHSA-N 1 2 332.806 3.825 20 30 EHEDLO C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1cccc(C#N)c1O ZINC000866276002 1137341940 /nfs/dbraw/zinc/34/19/40/1137341940.db2.gz SRSPIVNGOGCRKD-VIFPVBQESA-N 1 2 341.358 3.632 20 30 EHEDLO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1cccc(C#N)c1O ZINC000866311258 1137344599 /nfs/dbraw/zinc/34/45/99/1137344599.db2.gz YUEFIPFBQKWRNO-KXBFYZLASA-N 1 2 338.451 3.717 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1cccc(C#N)c1O ZINC000866326846 1137345986 /nfs/dbraw/zinc/34/59/86/1137345986.db2.gz MPCZXZPXNIYLJW-YVEFUNNKSA-N 1 2 326.371 3.967 20 30 EHEDLO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1cccc(C#N)c1O ZINC000866368881 1137349858 /nfs/dbraw/zinc/34/98/58/1137349858.db2.gz FNROLRASCHTVDM-XNRPHZJLSA-N 1 2 328.437 3.896 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000847032890 1137383694 /nfs/dbraw/zinc/38/36/94/1137383694.db2.gz VSLORPCSOZYSAT-VXGBXAGGSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000847032890 1137383696 /nfs/dbraw/zinc/38/36/96/1137383696.db2.gz VSLORPCSOZYSAT-VXGBXAGGSA-N 1 2 325.239 3.666 20 30 EHEDLO N#C[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)C1CCCCC1 ZINC001148334154 1137422647 /nfs/dbraw/zinc/42/26/47/1137422647.db2.gz FNTGOQKFJBAXIZ-KSZLIROESA-N 1 2 340.471 3.641 20 30 EHEDLO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)[C@@H](C)CC ZINC001171340976 1137437308 /nfs/dbraw/zinc/43/73/08/1137437308.db2.gz MVWNWUSNOQEZAI-QITLCBANSA-N 1 2 337.410 3.556 20 30 EHEDLO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171475291 1137493287 /nfs/dbraw/zinc/49/32/87/1137493287.db2.gz BZHRZIFWWZLMPL-QGZVFWFLSA-N 1 2 327.378 3.633 20 30 EHEDLO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171475291 1137493288 /nfs/dbraw/zinc/49/32/88/1137493288.db2.gz BZHRZIFWWZLMPL-QGZVFWFLSA-N 1 2 327.378 3.633 20 30 EHEDLO CCC[C@@](C)(C#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171841286 1137515451 /nfs/dbraw/zinc/51/54/51/1137515451.db2.gz OZGQJTOSRARRHH-QAPCUYQASA-N 1 2 335.492 3.981 20 30 EHEDLO CCC(C#N)(CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171845739 1137515727 /nfs/dbraw/zinc/51/57/27/1137515727.db2.gz ZSCKHVUXNUSBFB-HNNXBMFYSA-N 1 2 335.492 3.981 20 30 EHEDLO CC[C@@H](C#N)[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172210529 1137541613 /nfs/dbraw/zinc/54/16/13/1137541613.db2.gz IKQRQBSUYVCIKW-HJOIGYKYSA-N 1 2 334.847 3.585 20 30 EHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(N4CCCC4=O)cc3)c[nH+]c12 ZINC000125320123 1137629857 /nfs/dbraw/zinc/62/98/57/1137629857.db2.gz SGCAWJSCUHGPHK-ZHACJKMWSA-N 1 2 345.402 3.666 20 30 EHEDLO COc1cc(F)c([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1OC ZINC000877035714 1137668274 /nfs/dbraw/zinc/66/82/74/1137668274.db2.gz KBINAOLSOIELSB-JTQLQIEISA-N 1 2 349.793 3.614 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1)C(C)C ZINC000877513457 1137679143 /nfs/dbraw/zinc/67/91/43/1137679143.db2.gz WPIZFDFSNMFNTQ-KRWDZBQOSA-N 1 2 327.453 3.575 20 30 EHEDLO CC[N@H+](CCOc1ccccc1OC)Cc1cc(C#N)cnc1Cl ZINC000877639330 1137683949 /nfs/dbraw/zinc/68/39/49/1137683949.db2.gz GLNTVUXDVXGVLM-UHFFFAOYSA-N 1 2 345.830 3.516 20 30 EHEDLO CC[N@@H+](CCOc1ccccc1OC)Cc1cc(C#N)cnc1Cl ZINC000877639330 1137683950 /nfs/dbraw/zinc/68/39/50/1137683950.db2.gz GLNTVUXDVXGVLM-UHFFFAOYSA-N 1 2 345.830 3.516 20 30 EHEDLO C#CC1(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC1 ZINC000879033991 1137735989 /nfs/dbraw/zinc/73/59/89/1137735989.db2.gz UDZSHNJPMOOANN-UHFFFAOYSA-N 1 2 346.434 3.669 20 30 EHEDLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000626129874 1137762235 /nfs/dbraw/zinc/76/22/35/1137762235.db2.gz AVEZTUSJEVVRCD-UHFFFAOYSA-N 1 2 348.446 3.912 20 30 EHEDLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000626129874 1137762236 /nfs/dbraw/zinc/76/22/36/1137762236.db2.gz AVEZTUSJEVVRCD-UHFFFAOYSA-N 1 2 348.446 3.912 20 30 EHEDLO C#CCCCCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800103646 1137897866 /nfs/dbraw/zinc/89/78/66/1137897866.db2.gz QHPLJFVMMKOWCP-QGZVFWFLSA-N 1 2 327.472 3.509 20 30 EHEDLO CCCn1c[nH+]cc1CNc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC001202638252 1137903152 /nfs/dbraw/zinc/90/31/52/1137903152.db2.gz KQOXRRROUHOAQN-UHFFFAOYSA-N 1 2 333.395 3.964 20 30 EHEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c(C#N)c1C ZINC000331853347 1137923050 /nfs/dbraw/zinc/92/30/50/1137923050.db2.gz IDUBSARBGKUMRA-UHFFFAOYSA-N 1 2 337.423 3.586 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000332184741 1137934818 /nfs/dbraw/zinc/93/48/18/1137934818.db2.gz NSMYPVOEJBIQJN-SNVBAGLBSA-N 1 2 338.205 3.633 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000332184741 1137934819 /nfs/dbraw/zinc/93/48/19/1137934819.db2.gz NSMYPVOEJBIQJN-SNVBAGLBSA-N 1 2 338.205 3.633 20 30 EHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000332296456 1137938852 /nfs/dbraw/zinc/93/88/52/1137938852.db2.gz OROBFQOULYUYPF-IBGZPJMESA-N 1 2 341.455 3.806 20 30 EHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072722748 1138107436 /nfs/dbraw/zinc/10/74/36/1138107436.db2.gz SOLJYTZBJYPZHM-WBMJQRKESA-N 1 2 343.427 3.780 20 30 EHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072722748 1138107437 /nfs/dbraw/zinc/10/74/37/1138107437.db2.gz SOLJYTZBJYPZHM-WBMJQRKESA-N 1 2 343.427 3.780 20 30 EHEDLO C=CCc1cc(C[N@@H+](C)Cc2ncc(CC)s2)cc(OC)c1O ZINC000093807557 1138241423 /nfs/dbraw/zinc/24/14/23/1138241423.db2.gz IESKQFBZHGNHNH-UHFFFAOYSA-N 1 2 332.469 3.780 20 30 EHEDLO C=CCc1cc(C[N@H+](C)Cc2ncc(CC)s2)cc(OC)c1O ZINC000093807557 1138241425 /nfs/dbraw/zinc/24/14/25/1138241425.db2.gz IESKQFBZHGNHNH-UHFFFAOYSA-N 1 2 332.469 3.780 20 30 EHEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccccc1 ZINC000338216412 1138790929 /nfs/dbraw/zinc/79/09/29/1138790929.db2.gz ZHNWRZCYWDLRKQ-UHFFFAOYSA-N 1 2 329.465 3.539 20 30 EHEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccccc1)Cc1ccccc1 ZINC000338216412 1138790932 /nfs/dbraw/zinc/79/09/32/1138790932.db2.gz ZHNWRZCYWDLRKQ-UHFFFAOYSA-N 1 2 329.465 3.539 20 30 EHEDLO Cc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000265286271 1138796124 /nfs/dbraw/zinc/79/61/24/1138796124.db2.gz ASMBESFIZVEXSG-CJNGLKHVSA-N 1 2 341.411 3.834 20 30 EHEDLO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000265286271 1138796125 /nfs/dbraw/zinc/79/61/25/1138796125.db2.gz ASMBESFIZVEXSG-CJNGLKHVSA-N 1 2 341.411 3.834 20 30 EHEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184894228 1140124589 /nfs/dbraw/zinc/12/45/89/1140124589.db2.gz WHDDLXVCBCAXTC-HOTGVXAUSA-N 1 2 339.439 3.581 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186961989 1140230810 /nfs/dbraw/zinc/23/08/10/1140230810.db2.gz HOPIVKPQSHBYSW-HNNXBMFYSA-N 1 2 343.496 3.895 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC2(CC2)C1 ZINC000186961989 1140230814 /nfs/dbraw/zinc/23/08/14/1140230814.db2.gz HOPIVKPQSHBYSW-HNNXBMFYSA-N 1 2 343.496 3.895 20 30 EHEDLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191817664 1140487522 /nfs/dbraw/zinc/48/75/22/1140487522.db2.gz DUJRQXAUUCLNBN-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191817664 1140487524 /nfs/dbraw/zinc/48/75/24/1140487524.db2.gz DUJRQXAUUCLNBN-LBPRGKRZSA-N 1 2 330.229 3.909 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)s1 ZINC000271108884 1141308127 /nfs/dbraw/zinc/30/81/27/1141308127.db2.gz BXGRMXJMKHLORI-UHFFFAOYSA-N 1 2 346.402 3.993 20 30 EHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccccc1Cl ZINC000069034634 215353953 /nfs/dbraw/zinc/35/39/53/215353953.db2.gz DJEKMNSQRRTFON-AWEZNQCLSA-N 1 2 333.863 3.503 20 30 EHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccccc1Cl ZINC000069034634 215353954 /nfs/dbraw/zinc/35/39/54/215353954.db2.gz DJEKMNSQRRTFON-AWEZNQCLSA-N 1 2 333.863 3.503 20 30 EHEDLO Cc1ccc2[nH+]cc(C=CC(=O)c3ccc(C(F)(F)F)[nH]c3=O)n2c1 ZINC000255029359 1015843957 /nfs/dbraw/zinc/84/39/57/1015843957.db2.gz NUGFKWOGARJWCD-HYXAFXHYSA-N 1 2 347.296 3.658 20 30 EHEDLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(F)c(C#N)c3)c2)[nH+]c1C ZINC000375607558 1016345809 /nfs/dbraw/zinc/34/58/09/1016345809.db2.gz UFYWTVHYEAOWOJ-UHFFFAOYSA-N 1 2 334.354 3.957 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430325021 1016363780 /nfs/dbraw/zinc/36/37/80/1016363780.db2.gz VGFCCTFEJJXWSB-UHFFFAOYSA-N 1 2 346.409 3.732 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430325021 1016363787 /nfs/dbraw/zinc/36/37/87/1016363787.db2.gz VGFCCTFEJJXWSB-UHFFFAOYSA-N 1 2 346.409 3.732 20 30 EHEDLO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140915898 1016833703 /nfs/dbraw/zinc/83/37/03/1016833703.db2.gz UXWHMYDHBKLSMQ-LLVKDONJSA-N 1 2 330.247 3.824 20 30 EHEDLO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnccc2C(F)(F)F)C1 ZINC001140915898 1016833718 /nfs/dbraw/zinc/83/37/18/1016833718.db2.gz UXWHMYDHBKLSMQ-LLVKDONJSA-N 1 2 330.247 3.824 20 30 EHEDLO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000536709111 1032186874 /nfs/dbraw/zinc/18/68/74/1032186874.db2.gz HMYYBWXTVKFNOD-ZDUSSCGKSA-N 1 2 325.368 3.979 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000536709111 1032186881 /nfs/dbraw/zinc/18/68/81/1032186881.db2.gz HMYYBWXTVKFNOD-ZDUSSCGKSA-N 1 2 325.368 3.979 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)C1CC1 ZINC000536742548 1032220450 /nfs/dbraw/zinc/22/04/50/1032220450.db2.gz QPWMVXKKESXVCT-UHFFFAOYSA-N 1 2 341.480 3.631 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ncc(Cc2cccc(C)c2)s1)C1CC1 ZINC000536742548 1032220460 /nfs/dbraw/zinc/22/04/60/1032220460.db2.gz QPWMVXKKESXVCT-UHFFFAOYSA-N 1 2 341.480 3.631 20 30 EHEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)c3ccc(-n4cc[nH+]c4)cc3)nc21 ZINC000343789682 1032474512 /nfs/dbraw/zinc/47/45/12/1032474512.db2.gz KJUPQFXRKAAJJJ-MRXNPFEDSA-N 1 2 341.374 3.547 20 30 EHEDLO CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602084069 1032619027 /nfs/dbraw/zinc/61/90/27/1032619027.db2.gz PCZGPUNLINGFPH-VQIMIIECSA-N 1 2 338.455 3.952 20 30 EHEDLO CC(C)C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000602095914 1032640012 /nfs/dbraw/zinc/64/00/12/1032640012.db2.gz GYYYQWBIGCPPEW-CVEARBPZSA-N 1 2 330.819 3.505 20 30 EHEDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000053147543 1017860790 /nfs/dbraw/zinc/86/07/90/1017860790.db2.gz CUYAVZODCFDWMF-SFHVURJKSA-N 1 2 336.826 3.824 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)N(c3ccc(C#N)cc3)C3CCC3)ccn12 ZINC000893042729 1018255201 /nfs/dbraw/zinc/25/52/01/1018255201.db2.gz XKNJUYKPZDVYME-UHFFFAOYSA-N 1 2 330.391 3.714 20 30 EHEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)n1 ZINC000614406236 1018985194 /nfs/dbraw/zinc/98/51/94/1018985194.db2.gz ZQHRVNVQFWUEAN-CQSZACIVSA-N 1 2 348.406 3.776 20 30 EHEDLO O=C1C=COC2(CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000897602246 1032930651 /nfs/dbraw/zinc/93/06/51/1032930651.db2.gz KQRLNRGACNKVOE-UHFFFAOYSA-N 1 2 343.320 3.682 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3csc(-c4ccccn4)n3)CC2)c1 ZINC000341213464 1021110226 /nfs/dbraw/zinc/11/02/26/1021110226.db2.gz NETZWSGGAZMNKP-UHFFFAOYSA-N 1 2 332.432 3.856 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000505891313 1021303166 /nfs/dbraw/zinc/30/31/66/1021303166.db2.gz KIMYKYYNRBSGBY-UHFFFAOYSA-N 1 2 343.398 3.809 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(F)cc1C(=O)OC ZINC000505891313 1021303179 /nfs/dbraw/zinc/30/31/79/1021303179.db2.gz KIMYKYYNRBSGBY-UHFFFAOYSA-N 1 2 343.398 3.809 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)c(OC)c1 ZINC000439435255 1021436813 /nfs/dbraw/zinc/43/68/13/1021436813.db2.gz DWDXMDJNCWXXJR-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)c(OC)c1 ZINC000439435255 1021436819 /nfs/dbraw/zinc/43/68/19/1021436819.db2.gz DWDXMDJNCWXXJR-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cc(OC)c1 ZINC000439457717 1021458440 /nfs/dbraw/zinc/45/84/40/1021458440.db2.gz RJSARIGMEOUGDD-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc(OC)c1 ZINC000439457717 1021458451 /nfs/dbraw/zinc/45/84/51/1021458451.db2.gz RJSARIGMEOUGDD-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO C=CC[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000440882549 1021843579 /nfs/dbraw/zinc/84/35/79/1021843579.db2.gz WQHONVORBCNAFZ-SJLPKXTDSA-N 1 2 326.444 3.505 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)n1 ZINC000602618053 1033013531 /nfs/dbraw/zinc/01/35/31/1033013531.db2.gz FLBRPOWIDGGRDN-UHFFFAOYSA-N 1 2 325.362 3.911 20 30 EHEDLO CCCCCCCCCC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001270237487 1021974192 /nfs/dbraw/zinc/97/41/92/1021974192.db2.gz CIWLBHYHTZAMPQ-UHFFFAOYSA-N 1 2 331.504 3.800 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000506790862 1022024641 /nfs/dbraw/zinc/02/46/41/1022024641.db2.gz ULDKZSRDZYTANA-UHFFFAOYSA-N 1 2 338.451 3.884 20 30 EHEDLO C=CCOc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000506790862 1022024657 /nfs/dbraw/zinc/02/46/57/1022024657.db2.gz ULDKZSRDZYTANA-UHFFFAOYSA-N 1 2 338.451 3.884 20 30 EHEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CC3)o2)cc1 ZINC000440287069 1022068927 /nfs/dbraw/zinc/06/89/27/1022068927.db2.gz YKYRWRMRLDWJJD-UHFFFAOYSA-N 1 2 334.354 3.526 20 30 EHEDLO CC[N@H+](Cc1nc(Br)c[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000891657422 1022244276 /nfs/dbraw/zinc/24/42/76/1022244276.db2.gz UXVSYGPPGSNJME-LLVKDONJSA-N 1 2 333.233 3.627 20 30 EHEDLO CC[N@@H+](Cc1nc(Br)c[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000891657422 1022244280 /nfs/dbraw/zinc/24/42/80/1022244280.db2.gz UXVSYGPPGSNJME-LLVKDONJSA-N 1 2 333.233 3.627 20 30 EHEDLO CC(C)Cn1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(C(F)F)n1 ZINC000328914240 1022544396 /nfs/dbraw/zinc/54/43/96/1022544396.db2.gz QAYOZTRSIRZUOH-LLVKDONJSA-N 1 2 337.374 3.524 20 30 EHEDLO CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)c1cccc(O)c1 ZINC000550008813 1023041749 /nfs/dbraw/zinc/04/17/49/1023041749.db2.gz JGUYGNWUYAGIHR-AWEZNQCLSA-N 1 2 338.407 3.634 20 30 EHEDLO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)c1cccc(O)c1 ZINC000550008813 1023041767 /nfs/dbraw/zinc/04/17/67/1023041767.db2.gz JGUYGNWUYAGIHR-AWEZNQCLSA-N 1 2 338.407 3.634 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2SC)c1C#N ZINC000548427603 1023114759 /nfs/dbraw/zinc/11/47/59/1023114759.db2.gz BAVDSPDUWNRCIS-UHFFFAOYSA-N 1 2 340.448 3.699 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2SC)c1C#N ZINC000548427603 1023114762 /nfs/dbraw/zinc/11/47/62/1023114762.db2.gz BAVDSPDUWNRCIS-UHFFFAOYSA-N 1 2 340.448 3.699 20 30 EHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000507351777 1023260518 /nfs/dbraw/zinc/26/05/18/1023260518.db2.gz GJCQKUNRSJNIMR-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000507351777 1023260525 /nfs/dbraw/zinc/26/05/25/1023260525.db2.gz GJCQKUNRSJNIMR-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000602752763 1033143443 /nfs/dbraw/zinc/14/34/43/1033143443.db2.gz UAKXDNXVTPZTDB-HNNXBMFYSA-N 1 2 331.419 3.585 20 30 EHEDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000602752763 1033143453 /nfs/dbraw/zinc/14/34/53/1033143453.db2.gz UAKXDNXVTPZTDB-HNNXBMFYSA-N 1 2 331.419 3.585 20 30 EHEDLO C#CCCCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000277097274 1023760767 /nfs/dbraw/zinc/76/07/67/1023760767.db2.gz ORRAJTWKYOHLIG-MRXNPFEDSA-N 1 2 336.838 3.536 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000063300687 1033167181 /nfs/dbraw/zinc/16/71/81/1033167181.db2.gz HEZWCCVKENYDSB-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000063300687 1033167191 /nfs/dbraw/zinc/16/71/91/1033167191.db2.gz HEZWCCVKENYDSB-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO Cc1[nH]c([C@@H]2CCCN2c2cc(C(F)(F)F)cc(C#N)n2)[nH+]c1C ZINC000895198091 1023954487 /nfs/dbraw/zinc/95/44/87/1023954487.db2.gz YEOPDRZPWDWVSV-ZDUSSCGKSA-N 1 2 335.333 3.654 20 30 EHEDLO Cc1ccc2nc(NC(=O)C[N@H+](C)C[C@@H]3CCCCO3)sc2c1 ZINC000329837861 1024217465 /nfs/dbraw/zinc/21/74/65/1024217465.db2.gz NAVITWIYZXVTPD-ZDUSSCGKSA-N 1 2 333.457 3.694 20 30 EHEDLO Cc1ccc2nc(NC(=O)C[N@@H+](C)C[C@@H]3CCCCO3)sc2c1 ZINC000329837861 1024217472 /nfs/dbraw/zinc/21/74/72/1024217472.db2.gz NAVITWIYZXVTPD-ZDUSSCGKSA-N 1 2 333.457 3.694 20 30 EHEDLO CC(C)c1cc(N2CCC3(CC2)CC(=O)C=CO3)nc(C(C)C)[nH+]1 ZINC000896880568 1024244490 /nfs/dbraw/zinc/24/44/90/1024244490.db2.gz IUBRJDSJZUWTFH-UHFFFAOYSA-N 1 2 329.444 3.566 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCCc1ccccc1 ZINC000434658519 1024263210 /nfs/dbraw/zinc/26/32/10/1024263210.db2.gz FLBMRWUMMQXJRQ-HXUWFJFHSA-N 1 2 336.435 3.727 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCc1ccccc1 ZINC000434658519 1024263219 /nfs/dbraw/zinc/26/32/19/1024263219.db2.gz FLBMRWUMMQXJRQ-HXUWFJFHSA-N 1 2 336.435 3.727 20 30 EHEDLO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1C ZINC000330128355 1024328756 /nfs/dbraw/zinc/32/87/56/1024328756.db2.gz NNJJWLQAOJLFFM-OXFYSEKESA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1C ZINC000330128355 1024328766 /nfs/dbraw/zinc/32/87/66/1024328766.db2.gz NNJJWLQAOJLFFM-OXFYSEKESA-N 1 2 346.471 3.550 20 30 EHEDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc2ncsc2c1 ZINC000330155646 1024336809 /nfs/dbraw/zinc/33/68/09/1024336809.db2.gz YJHUUMLDIKGIBP-WCQYABFASA-N 1 2 326.425 3.773 20 30 EHEDLO COCC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1Cl ZINC000071958198 1024967924 /nfs/dbraw/zinc/96/79/24/1024967924.db2.gz OTTRGXHIFITYKU-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO COCC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1Cl ZINC000071958198 1024967929 /nfs/dbraw/zinc/96/79/29/1024967929.db2.gz OTTRGXHIFITYKU-UHFFFAOYSA-N 1 2 332.806 3.999 20 30 EHEDLO C=CC[N@@H+](CCC#N)CCCC(=O)c1ccc(Br)cc1 ZINC000451057609 1025480988 /nfs/dbraw/zinc/48/09/88/1025480988.db2.gz JZMTYPCEEVYZPI-UHFFFAOYSA-N 1 2 335.245 3.814 20 30 EHEDLO C=CC[N@H+](CCC#N)CCCC(=O)c1ccc(Br)cc1 ZINC000451057609 1025480993 /nfs/dbraw/zinc/48/09/93/1025480993.db2.gz JZMTYPCEEVYZPI-UHFFFAOYSA-N 1 2 335.245 3.814 20 30 EHEDLO CC1=CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000436254148 1025513937 /nfs/dbraw/zinc/51/39/37/1025513937.db2.gz PRPZIFUKMIEJNH-HNNXBMFYSA-N 1 2 329.469 3.529 20 30 EHEDLO CC1=CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000436254148 1025513949 /nfs/dbraw/zinc/51/39/49/1025513949.db2.gz PRPZIFUKMIEJNH-HNNXBMFYSA-N 1 2 329.469 3.529 20 30 EHEDLO C=CCCn1cc(C[NH2+]C(c2cccs2)c2cccs2)nn1 ZINC000657368419 1025607115 /nfs/dbraw/zinc/60/71/15/1025607115.db2.gz QGILGXHFIXVUPF-UHFFFAOYSA-N 1 2 330.482 3.856 20 30 EHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000451392873 1025917889 /nfs/dbraw/zinc/91/78/89/1025917889.db2.gz KIYBPWUYYXLHBS-CQSZACIVSA-N 1 2 349.475 3.558 20 30 EHEDLO O=C(C[NH+]1CCC(OC2CCCC2)CC1)Nc1nc2c(s1)CCC2 ZINC000329511918 1025944883 /nfs/dbraw/zinc/94/48/83/1025944883.db2.gz NIDWEZBDXBLCBE-UHFFFAOYSA-N 1 2 349.500 3.643 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000665587678 1026145004 /nfs/dbraw/zinc/14/50/04/1026145004.db2.gz ZMTALDDEKSCBME-MRXNPFEDSA-N 1 2 330.476 3.825 20 30 EHEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nnc1-c1cccc(C)c1 ZINC000193066571 1026918879 /nfs/dbraw/zinc/91/88/79/1026918879.db2.gz NOIVWCGLQYXVBP-UHFFFAOYSA-N 1 2 337.452 3.709 20 30 EHEDLO C=CCC1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCC1 ZINC000454226275 1027416693 /nfs/dbraw/zinc/41/66/93/1027416693.db2.gz KQFINEFQHPXIPR-UHFFFAOYSA-N 1 2 342.487 3.618 20 30 EHEDLO Cc1cc(NC(=O)c2ccccc2-c2ccccc2C#N)c(C)c[nH+]1 ZINC000536574868 1027499499 /nfs/dbraw/zinc/49/94/99/1027499499.db2.gz RRZBKRWRWDQZMH-UHFFFAOYSA-N 1 2 327.387 3.911 20 30 EHEDLO CC(C)(C)c1csc(NC(=O)NCCCCn2cc[nH+]c2)c1C#N ZINC000888216883 1027620245 /nfs/dbraw/zinc/62/02/45/1027620245.db2.gz NMANVQZDHNRVEV-UHFFFAOYSA-N 1 2 345.472 3.716 20 30 EHEDLO C=CCCCN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000347334515 1027765190 /nfs/dbraw/zinc/76/51/90/1027765190.db2.gz DGUVNRJJCDGWOK-INIZCTEOSA-N 1 2 331.460 3.510 20 30 EHEDLO C=CCCC1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000475595900 1027819017 /nfs/dbraw/zinc/81/90/17/1027819017.db2.gz MYORIZOPOWZREE-INIZCTEOSA-N 1 2 330.447 3.777 20 30 EHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000132277032 1027905997 /nfs/dbraw/zinc/90/59/97/1027905997.db2.gz MGIZTPMURXIHMI-VIFPVBQESA-N 1 2 346.066 3.946 20 30 EHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000132277032 1027906012 /nfs/dbraw/zinc/90/60/12/1027906012.db2.gz MGIZTPMURXIHMI-VIFPVBQESA-N 1 2 346.066 3.946 20 30 EHEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cc[nH]n1 ZINC000444639478 1028125635 /nfs/dbraw/zinc/12/56/35/1028125635.db2.gz AELFVWBOVMRUHS-UHFFFAOYSA-N 1 2 330.435 3.741 20 30 EHEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cc[nH]n1 ZINC000444639478 1028125641 /nfs/dbraw/zinc/12/56/41/1028125641.db2.gz AELFVWBOVMRUHS-UHFFFAOYSA-N 1 2 330.435 3.741 20 30 EHEDLO Cc1sc2nc([C@@H](C)[NH+]3CCC(C)(C#N)CC3)nc(N)c2c1C ZINC000272479023 1029473938 /nfs/dbraw/zinc/47/39/38/1029473938.db2.gz AVKREBHIYCLBAW-LLVKDONJSA-N 1 2 329.473 3.577 20 30 EHEDLO C=CC(C)(C)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000455022339 1029560332 /nfs/dbraw/zinc/56/03/32/1029560332.db2.gz KXTPKCOBEWTNPA-UHFFFAOYSA-N 1 2 336.439 3.936 20 30 EHEDLO COC(=O)c1cc(C[N@H+](C)CC#Cc2cccc(Cl)c2)oc1C ZINC000446760211 1029792369 /nfs/dbraw/zinc/79/23/69/1029792369.db2.gz SBPVXWVAZKJCLW-UHFFFAOYSA-N 1 2 331.799 3.512 20 30 EHEDLO COC(=O)c1cc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)oc1C ZINC000446760211 1029792375 /nfs/dbraw/zinc/79/23/75/1029792375.db2.gz SBPVXWVAZKJCLW-UHFFFAOYSA-N 1 2 331.799 3.512 20 30 EHEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000583639298 1030340648 /nfs/dbraw/zinc/34/06/48/1030340648.db2.gz CFNAVBWEDCTTKQ-VHSXEESVSA-N 1 2 347.768 3.968 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093457783 1030615052 /nfs/dbraw/zinc/61/50/52/1030615052.db2.gz RSWOGEPYSJXXSC-FQEVSTJZSA-N 1 2 325.408 3.531 20 30 EHEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093457783 1030615109 /nfs/dbraw/zinc/61/51/09/1030615109.db2.gz RSWOGEPYSJXXSC-FQEVSTJZSA-N 1 2 325.408 3.531 20 30 EHEDLO COc1cc(Cl)ccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000482687338 1030641387 /nfs/dbraw/zinc/64/13/87/1030641387.db2.gz AOYGAPYQQQNYEE-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO C=CCSc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000347452103 1031625412 /nfs/dbraw/zinc/62/54/12/1031625412.db2.gz URASMAPVDKSPHQ-OAHLLOKOSA-N 1 2 341.480 3.718 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC000594612745 1033477296 /nfs/dbraw/zinc/47/72/96/1033477296.db2.gz QIIRFWIUJXOZMV-HNNXBMFYSA-N 1 2 347.260 3.725 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000594733971 1033508628 /nfs/dbraw/zinc/50/86/28/1033508628.db2.gz JWQSDQVXTKURDF-LJQANCHMSA-N 1 2 326.465 3.606 20 30 EHEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599084578 1033724202 /nfs/dbraw/zinc/72/42/02/1033724202.db2.gz ZEYDIFRFMGNUKT-QGZVFWFLSA-N 1 2 344.462 3.918 20 30 EHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nsc3ccccc23)CC1 ZINC000595473253 1033822480 /nfs/dbraw/zinc/82/24/80/1033822480.db2.gz VVYNLUJJRPDNCJ-UHFFFAOYSA-N 1 2 334.448 3.749 20 30 EHEDLO CC[N@H+](Cc1ccc(C)c(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000599260704 1033838778 /nfs/dbraw/zinc/83/87/78/1033838778.db2.gz JNPYBZONKBHXEH-UHFFFAOYSA-N 1 2 332.407 3.538 20 30 EHEDLO CC[N@@H+](Cc1ccc(C)c(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000599260704 1033838792 /nfs/dbraw/zinc/83/87/92/1033838792.db2.gz JNPYBZONKBHXEH-UHFFFAOYSA-N 1 2 332.407 3.538 20 30 EHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C#N ZINC000593028524 1033861284 /nfs/dbraw/zinc/86/12/84/1033861284.db2.gz OULPKQCKVYEMJC-CQSZACIVSA-N 1 2 347.422 3.752 20 30 EHEDLO CCC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000595784613 1033999803 /nfs/dbraw/zinc/99/98/03/1033999803.db2.gz SXRFPNIJIGBNHS-HNNXBMFYSA-N 1 2 339.414 3.937 20 30 EHEDLO CCC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000595784613 1033999814 /nfs/dbraw/zinc/99/98/14/1033999814.db2.gz SXRFPNIJIGBNHS-HNNXBMFYSA-N 1 2 339.414 3.937 20 30 EHEDLO C[N@H+](CC1(C#N)CCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000450287869 1034028044 /nfs/dbraw/zinc/02/80/44/1034028044.db2.gz RRJIQCUUAZGQHN-LSDHHAIUSA-N 1 2 325.239 3.577 20 30 EHEDLO C[N@@H+](CC1(C#N)CCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000450287869 1034028051 /nfs/dbraw/zinc/02/80/51/1034028051.db2.gz RRJIQCUUAZGQHN-LSDHHAIUSA-N 1 2 325.239 3.577 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685851 1034113557 /nfs/dbraw/zinc/11/35/57/1034113557.db2.gz LLTAQMDQVOWRNA-INIZCTEOSA-N 1 2 347.462 3.700 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685851 1034113561 /nfs/dbraw/zinc/11/35/61/1034113561.db2.gz LLTAQMDQVOWRNA-INIZCTEOSA-N 1 2 347.462 3.700 20 30 EHEDLO C[C@H](C#N)C[N@H+](CC1=Cc2cc(Br)ccc2OC1)C1CC1 ZINC000537621763 1034224179 /nfs/dbraw/zinc/22/41/79/1034224179.db2.gz GOUJYSZOOUEJEI-GFCCVEGCSA-N 1 2 347.256 3.849 20 30 EHEDLO C[C@H](C#N)C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C1CC1 ZINC000537621763 1034224191 /nfs/dbraw/zinc/22/41/91/1034224191.db2.gz GOUJYSZOOUEJEI-GFCCVEGCSA-N 1 2 347.256 3.849 20 30 EHEDLO CCOc1cc2[nH+]ccc(N3CC[C@](C)(C#N)C3)c2cc1OCC ZINC000596529755 1034278370 /nfs/dbraw/zinc/27/83/70/1034278370.db2.gz HRISGARHMIKVQZ-LJQANCHMSA-N 1 2 325.412 3.772 20 30 EHEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000450448298 1034350937 /nfs/dbraw/zinc/35/09/37/1034350937.db2.gz ACTUTPLUFMPLBS-WOJBJXKFSA-N 1 2 349.434 3.530 20 30 EHEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000450448298 1034350946 /nfs/dbraw/zinc/35/09/46/1034350946.db2.gz ACTUTPLUFMPLBS-WOJBJXKFSA-N 1 2 349.434 3.530 20 30 EHEDLO Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000597025467 1034503887 /nfs/dbraw/zinc/50/38/87/1034503887.db2.gz ATZUBTHZRLRJDQ-QUCCMNQESA-N 1 2 334.467 3.959 20 30 EHEDLO Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000597025467 1034503899 /nfs/dbraw/zinc/50/38/99/1034503899.db2.gz ATZUBTHZRLRJDQ-QUCCMNQESA-N 1 2 334.467 3.959 20 30 EHEDLO CC(C)Cc1ncc(C[NH+]2CCN(c3ccsc3C#N)CC2)s1 ZINC000597184379 1034589909 /nfs/dbraw/zinc/58/99/09/1034589909.db2.gz UCHFNXXXJRYOFJ-UHFFFAOYSA-N 1 2 346.525 3.597 20 30 EHEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](CC#Cc1ccccc1Cl)CC2 ZINC000534475782 1034601577 /nfs/dbraw/zinc/60/15/77/1034601577.db2.gz SESSWFZDRKUTGB-UHFFFAOYSA-N 1 2 337.850 3.995 20 30 EHEDLO CC(=O)c1ccc2c(c1)CC[N@H+](CC#Cc1ccccc1Cl)CC2 ZINC000534475782 1034601580 /nfs/dbraw/zinc/60/15/80/1034601580.db2.gz SESSWFZDRKUTGB-UHFFFAOYSA-N 1 2 337.850 3.995 20 30 EHEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000597256949 1034629409 /nfs/dbraw/zinc/62/94/09/1034629409.db2.gz BIFJOIFBMUAFBI-OXFYSEKESA-N 1 2 336.439 3.520 20 30 EHEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000612406515 1034890599 /nfs/dbraw/zinc/89/05/99/1034890599.db2.gz OAOBXOWSDNLMIQ-INIZCTEOSA-N 1 2 342.361 3.762 20 30 EHEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000612406515 1034890609 /nfs/dbraw/zinc/89/06/09/1034890609.db2.gz OAOBXOWSDNLMIQ-INIZCTEOSA-N 1 2 342.361 3.762 20 30 EHEDLO Cn1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(-c2cc3ccccc3o2)n1 ZINC000612407145 1034897676 /nfs/dbraw/zinc/89/76/76/1034897676.db2.gz ZJFHERQEYNZFRJ-FQEVSTJZSA-N 1 2 334.423 3.959 20 30 EHEDLO Cn1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(-c2cc3ccccc3o2)n1 ZINC000612407145 1034897689 /nfs/dbraw/zinc/89/76/89/1034897689.db2.gz ZJFHERQEYNZFRJ-FQEVSTJZSA-N 1 2 334.423 3.959 20 30 EHEDLO C=CCOc1c(Cl)cc(C[NH+]2CC3(C2)CCCOC3)cc1OC ZINC000628307196 1035121783 /nfs/dbraw/zinc/12/17/83/1035121783.db2.gz UGUZGIWDEOQPLY-UHFFFAOYSA-N 1 2 337.847 3.526 20 30 EHEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)c1C#N ZINC000580700349 1035452350 /nfs/dbraw/zinc/45/23/50/1035452350.db2.gz QIRVAJJUMUPRJI-AWEZNQCLSA-N 1 2 338.407 3.513 20 30 EHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CCCCC1 ZINC000045007998 1035632584 /nfs/dbraw/zinc/63/25/84/1035632584.db2.gz SWVIQMPRFZLTSO-KRWDZBQOSA-N 1 2 345.874 3.820 20 30 EHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CCCCC1 ZINC000045007998 1035632587 /nfs/dbraw/zinc/63/25/87/1035632587.db2.gz SWVIQMPRFZLTSO-KRWDZBQOSA-N 1 2 345.874 3.820 20 30 EHEDLO CC(C)(C)c1ccc(C#N)c(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000613411275 1035781314 /nfs/dbraw/zinc/78/13/14/1035781314.db2.gz CPPYVTBNGRLVKS-UHFFFAOYSA-N 1 2 335.455 3.858 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(Cc2ccccc2C)no1 ZINC000491305565 1035929403 /nfs/dbraw/zinc/92/94/03/1035929403.db2.gz MMSFYKCEUKLLQN-UHFFFAOYSA-N 1 2 337.423 3.793 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(Cc2ccccc2C)no1 ZINC000491305565 1035929424 /nfs/dbraw/zinc/92/94/24/1035929424.db2.gz MMSFYKCEUKLLQN-UHFFFAOYSA-N 1 2 337.423 3.793 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000613461958 1035959023 /nfs/dbraw/zinc/95/90/23/1035959023.db2.gz FVDZXZGURFOMPQ-UHFFFAOYSA-N 1 2 327.255 3.626 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000613461958 1035959026 /nfs/dbraw/zinc/95/90/26/1035959026.db2.gz FVDZXZGURFOMPQ-UHFFFAOYSA-N 1 2 327.255 3.626 20 30 EHEDLO N#CCc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000541347754 1036223461 /nfs/dbraw/zinc/22/34/61/1036223461.db2.gz MYHOYJYDZABYMG-QPJJXVBHSA-N 1 2 331.463 3.584 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000492788324 1036294789 /nfs/dbraw/zinc/29/47/89/1036294789.db2.gz IFEXLEXADVONKH-INIZCTEOSA-N 1 2 330.229 3.986 20 30 EHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000492788324 1036294802 /nfs/dbraw/zinc/29/48/02/1036294802.db2.gz IFEXLEXADVONKH-INIZCTEOSA-N 1 2 330.229 3.986 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000589996735 1036693761 /nfs/dbraw/zinc/69/37/61/1036693761.db2.gz PLCDZRAKKUERSI-MSOLQXFVSA-N 1 2 342.393 3.530 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000589996735 1036693765 /nfs/dbraw/zinc/69/37/65/1036693765.db2.gz PLCDZRAKKUERSI-MSOLQXFVSA-N 1 2 342.393 3.530 20 30 EHEDLO N#CCCC[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000590119902 1036764189 /nfs/dbraw/zinc/76/41/89/1036764189.db2.gz GPOWUDNUIYBDQT-QGZVFWFLSA-N 1 2 333.395 3.891 20 30 EHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000177293081 1036809964 /nfs/dbraw/zinc/80/99/64/1036809964.db2.gz VFYUWTPNEZLPLR-UHFFFAOYSA-N 1 2 327.378 3.913 20 30 EHEDLO N#Cc1ccccc1OCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000180469932 1036871363 /nfs/dbraw/zinc/87/13/63/1036871363.db2.gz FZPCJBUPPXBPSV-UHFFFAOYSA-N 1 2 333.391 3.627 20 30 EHEDLO N#Cc1ccccc1OCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000180469932 1036871376 /nfs/dbraw/zinc/87/13/76/1036871376.db2.gz FZPCJBUPPXBPSV-UHFFFAOYSA-N 1 2 333.391 3.627 20 30 EHEDLO COc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1OCCCC#N ZINC000573104119 1037306241 /nfs/dbraw/zinc/30/62/41/1037306241.db2.gz LOHXQVZOUQYLRL-ZDUSSCGKSA-N 1 2 331.441 3.685 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cccc2F)c(C#N)c1C ZINC000271836212 1037426682 /nfs/dbraw/zinc/42/66/82/1037426682.db2.gz XUPPHIZHBKHKJF-GHMZBOCLSA-N 1 2 347.365 3.724 20 30 EHEDLO Cc1cccn2c(/C=C/C(=O)c3cnn(Cc4ccccc4)c3)c[nH+]c12 ZINC000157326966 1037437181 /nfs/dbraw/zinc/43/71/81/1037437181.db2.gz SIQKCXSZKXTDOX-MDZDMXLPSA-N 1 2 342.402 3.784 20 30 EHEDLO CC[N@H+](Cc1nnc(C2CC2)n1C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000181136519 1037438519 /nfs/dbraw/zinc/43/85/19/1037438519.db2.gz KUVDBMSBSQZCAU-AWEZNQCLSA-N 1 2 335.455 3.945 20 30 EHEDLO CC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000181136519 1037438526 /nfs/dbraw/zinc/43/85/26/1037438526.db2.gz KUVDBMSBSQZCAU-AWEZNQCLSA-N 1 2 335.455 3.945 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CC1 ZINC000540056383 1037526145 /nfs/dbraw/zinc/52/61/45/1037526145.db2.gz PEGCMMSDRXLQKR-UHFFFAOYSA-N 1 2 349.406 3.677 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CC1 ZINC000540056383 1037526154 /nfs/dbraw/zinc/52/61/54/1037526154.db2.gz PEGCMMSDRXLQKR-UHFFFAOYSA-N 1 2 349.406 3.677 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC(C)C)CC2)c(C#N)c1C ZINC000760925333 1037820839 /nfs/dbraw/zinc/82/08/39/1037820839.db2.gz JYXUQWOXFZYMIS-CQSZACIVSA-N 1 2 331.460 3.853 20 30 EHEDLO CC(C)(C)OCc1cc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)no1 ZINC000363848824 1038679746 /nfs/dbraw/zinc/67/97/46/1038679746.db2.gz BNPKZKINYGJYFR-UHFFFAOYSA-N 1 2 339.439 3.703 20 30 EHEDLO Cc1ccc2ncc(C#N)c(NCc3ccccc3-n3cc[nH+]c3)c2c1 ZINC000488119153 1038894673 /nfs/dbraw/zinc/89/46/73/1038894673.db2.gz CGNBWEIUAKNWNK-UHFFFAOYSA-N 1 2 339.402 3.635 20 30 EHEDLO CCC(=O)Nc1cccc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)c1 ZINC000924700422 1039294539 /nfs/dbraw/zinc/29/45/39/1039294539.db2.gz WWKFXQFSFDYHOF-GOSISDBHSA-N 1 2 337.423 3.853 20 30 EHEDLO C=CCC[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000911881309 1039561383 /nfs/dbraw/zinc/56/13/83/1039561383.db2.gz ZZGCUXITZWMXHR-SFHVURJKSA-N 1 2 342.487 3.712 20 30 EHEDLO Cc1c(C=[NH+]Nc2cc(C)ccc2C)c(=O)n(-c2ccccc2)n1C ZINC000912797807 1040307580 /nfs/dbraw/zinc/30/75/80/1040307580.db2.gz WLSGTBNRWARXMW-UHFFFAOYSA-N 1 2 334.423 3.547 20 30 EHEDLO CCCc1c(NCc2c[nH+]cn2CC)cnn1-c1cccc(C#N)c1 ZINC000418005249 1040441319 /nfs/dbraw/zinc/44/13/19/1040441319.db2.gz ARPOFPSXXCJJLY-UHFFFAOYSA-N 1 2 334.427 3.525 20 30 EHEDLO O=C(/C=C\c1cnn(CC2CCC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000899392831 1040456637 /nfs/dbraw/zinc/45/66/37/1040456637.db2.gz WGTDNFBZBXVAGM-FPLPWBNLSA-N 1 2 332.407 3.765 20 30 EHEDLO NC(=[NH+]OCCOc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000029465411 1040618944 /nfs/dbraw/zinc/61/89/44/1040618944.db2.gz UAXCMRKDCPMTAP-UHFFFAOYSA-N 1 2 325.195 3.709 20 30 EHEDLO N#Cc1cc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cs1 ZINC000894112279 1040669832 /nfs/dbraw/zinc/66/98/32/1040669832.db2.gz DSUXYVUEEAEWFD-UHFFFAOYSA-N 1 2 328.412 3.854 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)n2c1 ZINC000151448489 1040904209 /nfs/dbraw/zinc/90/42/09/1040904209.db2.gz QSCRWIODQSSYOB-SOFGYWHQSA-N 1 2 345.402 3.769 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433256270 1041164088 /nfs/dbraw/zinc/16/40/88/1041164088.db2.gz ACOILKLQQVVQAQ-LBPRGKRZSA-N 1 2 345.805 3.810 20 30 EHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433256270 1041164101 /nfs/dbraw/zinc/16/41/01/1041164101.db2.gz ACOILKLQQVVQAQ-LBPRGKRZSA-N 1 2 345.805 3.810 20 30 EHEDLO Cc1c[nH+]c2cc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)ccn12 ZINC000571296010 1041257871 /nfs/dbraw/zinc/25/78/71/1041257871.db2.gz GJMGEYHZPTYMOM-UHFFFAOYSA-N 1 2 332.407 3.817 20 30 EHEDLO CC(C)CNC(=O)c1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000109812418 1041502313 /nfs/dbraw/zinc/50/23/13/1041502313.db2.gz TYZFBNOGLGTGJQ-UHFFFAOYSA-N 1 2 329.488 3.834 20 30 EHEDLO CC(C)CNC(=O)c1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000109812418 1041502319 /nfs/dbraw/zinc/50/23/19/1041502319.db2.gz TYZFBNOGLGTGJQ-UHFFFAOYSA-N 1 2 329.488 3.834 20 30 EHEDLO CC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000661939431 1042416702 /nfs/dbraw/zinc/41/67/02/1042416702.db2.gz LCIOAESUJIWMRG-QGZVFWFLSA-N 1 2 342.874 3.750 20 30 EHEDLO C=CCCCCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000654464659 1127453829 /nfs/dbraw/zinc/45/38/29/1127453829.db2.gz FMBMTKRBWOTTOT-SFHVURJKSA-N 1 2 340.471 3.750 20 30 EHEDLO Cc1cc(C(N)=[NH+]OCc2nc(Cl)ccc2Cl)ccc1F ZINC000764937323 1127555960 /nfs/dbraw/zinc/55/59/60/1127555960.db2.gz PVSUGSOQFLYHIO-UHFFFAOYSA-N 1 2 328.174 3.673 20 30 EHEDLO CCOc1ccc(/C=[NH+]\CCc2nc3c(s2)CCCC3)c(O)c1 ZINC000765501310 1127624095 /nfs/dbraw/zinc/62/40/95/1127624095.db2.gz WQEJTVNTGNTOCO-UNOMPAQXSA-N 1 2 330.453 3.788 20 30 EHEDLO CCOc1ccc(O)c(/C=[NH+]/CCc2nc3c(s2)CCCC3)c1 ZINC000765501830 1127624644 /nfs/dbraw/zinc/62/46/44/1127624644.db2.gz XVZBAXGZRHMCJN-XDHOZWIPSA-N 1 2 330.453 3.788 20 30 EHEDLO CCc1cc(Nc2ccc[nH+]c2N2CCOCC2)cc(CC)c1C#N ZINC001212364796 1128029640 /nfs/dbraw/zinc/02/96/40/1128029640.db2.gz SLKVZUVZAFGWJQ-UHFFFAOYSA-N 1 2 336.439 3.658 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)c(Nc2ccc[nH+]c2N2CCOCC2)c1 ZINC001212364805 1128029610 /nfs/dbraw/zinc/02/96/10/1128029610.db2.gz SYARTTLYPONOPC-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC001670944474 1128374156 /nfs/dbraw/zinc/37/41/56/1128374156.db2.gz OQGJPCQCKXNHOI-INIZCTEOSA-N 1 2 349.544 3.883 20 30 EHEDLO CC[N@H+](CCC#N)Cc1cc(Br)cc(Br)c1 ZINC000347651636 1128514264 /nfs/dbraw/zinc/51/42/64/1128514264.db2.gz LYOAELYOKXNJAZ-UHFFFAOYSA-N 1 2 346.066 3.947 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1cc(Br)cc(Br)c1 ZINC000347651636 1128514266 /nfs/dbraw/zinc/51/42/66/1128514266.db2.gz LYOAELYOKXNJAZ-UHFFFAOYSA-N 1 2 346.066 3.947 20 30 EHEDLO N#Cc1cc(F)c(NCc2cc[nH+]c(N3CCCCC3)c2)c(F)c1 ZINC000301105012 1128573554 /nfs/dbraw/zinc/57/35/54/1128573554.db2.gz LKFMSMSTVPUMIU-UHFFFAOYSA-N 1 2 328.366 3.834 20 30 EHEDLO CSC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311468565 1129012244 /nfs/dbraw/zinc/01/22/44/1129012244.db2.gz ADAOXTTVSXLBRM-LBPRGKRZSA-N 1 2 339.302 3.896 20 30 EHEDLO CSC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311468565 1129012248 /nfs/dbraw/zinc/01/22/48/1129012248.db2.gz ADAOXTTVSXLBRM-LBPRGKRZSA-N 1 2 339.302 3.896 20 30 EHEDLO CC(C)(C)OC(=O)NCc1ccc[nH+]c1NC1CCC(C)(C#N)CC1 ZINC000496921166 1122214706 /nfs/dbraw/zinc/21/47/06/1122214706.db2.gz DGFAWRZFVUWZAZ-UHFFFAOYSA-N 1 2 344.459 3.991 20 30 EHEDLO C=C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000128480666 1122606163 /nfs/dbraw/zinc/60/61/63/1122606163.db2.gz CJXZRKKXJYCFDQ-SFHVURJKSA-N 1 2 335.451 3.658 20 30 EHEDLO N#Cc1ccc(/C=C\c2c[nH+]c3ccc(Br)cn23)nc1 ZINC000255334841 1129073761 /nfs/dbraw/zinc/07/37/61/1129073761.db2.gz FWMXGBCAGACLOJ-PLNGDYQASA-N 1 2 325.169 3.534 20 30 EHEDLO CC(=[NH+]Nc1cccc(F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000920383339 1123363068 /nfs/dbraw/zinc/36/30/68/1123363068.db2.gz DVLFXHTWGVVLJQ-UHFFFAOYSA-N 1 2 331.366 3.638 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C#N ZINC000135113166 1123583706 /nfs/dbraw/zinc/58/37/06/1123583706.db2.gz HNDYQVBOTKRDLU-VQTJNVASSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C#N ZINC000135113166 1123583710 /nfs/dbraw/zinc/58/37/10/1123583710.db2.gz HNDYQVBOTKRDLU-VQTJNVASSA-N 1 2 331.419 3.839 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000466525462 1129511733 /nfs/dbraw/zinc/51/17/33/1129511733.db2.gz IGYBKDJOKYTKRW-OAHLLOKOSA-N 1 2 337.467 3.697 20 30 EHEDLO C=CC[C@@H](CC)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000466525462 1129511736 /nfs/dbraw/zinc/51/17/36/1129511736.db2.gz IGYBKDJOKYTKRW-OAHLLOKOSA-N 1 2 337.467 3.697 20 30 EHEDLO OC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1cccc(Cl)c1F ZINC000499940578 1129583338 /nfs/dbraw/zinc/58/33/38/1129583338.db2.gz VLXNFIBUTWIKPG-MRXNPFEDSA-N 1 2 338.209 3.807 20 30 EHEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000429238074 1130175035 /nfs/dbraw/zinc/17/50/35/1130175035.db2.gz QLAIIVRCQLLLBH-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000429238074 1130175037 /nfs/dbraw/zinc/17/50/37/1130175037.db2.gz QLAIIVRCQLLLBH-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCOC(C)(C)C ZINC000676042701 1130522573 /nfs/dbraw/zinc/52/25/73/1130522573.db2.gz CNCXLOPHKOSKBQ-UHFFFAOYSA-N 1 2 336.501 3.650 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC000676042701 1130522581 /nfs/dbraw/zinc/52/25/81/1130522581.db2.gz CNCXLOPHKOSKBQ-UHFFFAOYSA-N 1 2 336.501 3.650 20 30 EHEDLO C=CCCC[N@@H+](C)Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000736583416 1131426665 /nfs/dbraw/zinc/42/66/65/1131426665.db2.gz LOFJXKBPSNBRIG-UHFFFAOYSA-N 1 2 349.456 3.745 20 30 EHEDLO C=CCCC[N@H+](C)Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S ZINC000736583416 1131426667 /nfs/dbraw/zinc/42/66/67/1131426667.db2.gz LOFJXKBPSNBRIG-UHFFFAOYSA-N 1 2 349.456 3.745 20 30 EHEDLO COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@H](C)CCCC#N ZINC001172485063 1131740061 /nfs/dbraw/zinc/74/00/61/1131740061.db2.gz LJMLEKZCMIRBRV-QAPCUYQASA-N 1 2 346.471 3.620 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@@H](CC(C)C)CC1=O ZINC000744433151 1132097896 /nfs/dbraw/zinc/09/78/96/1132097896.db2.gz VUXTWUOFRZFBBR-SFHVURJKSA-N 1 2 330.472 3.535 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@@H](CC(C)C)CC1=O ZINC000744433151 1132097902 /nfs/dbraw/zinc/09/79/02/1132097902.db2.gz VUXTWUOFRZFBBR-SFHVURJKSA-N 1 2 330.472 3.535 20 30 EHEDLO CC[N@H+](CCCCOc1ccc(Br)cc1)[C@@H](C)C#N ZINC001174853419 1132487398 /nfs/dbraw/zinc/48/73/98/1132487398.db2.gz KFAWAVWRYOPJDE-ZDUSSCGKSA-N 1 2 325.250 3.842 20 30 EHEDLO CC[N@@H+](CCCCOc1ccc(Br)cc1)[C@@H](C)C#N ZINC001174853419 1132487402 /nfs/dbraw/zinc/48/74/02/1132487402.db2.gz KFAWAVWRYOPJDE-ZDUSSCGKSA-N 1 2 325.250 3.842 20 30 EHEDLO N#CC1=C(Nc2ccc(OCC[NH+]3CCCCC3)cc2)SCC1=O ZINC001175796602 1132755618 /nfs/dbraw/zinc/75/56/18/1132755618.db2.gz NJSXHQWZNPCBOA-UHFFFAOYSA-N 1 2 343.452 3.934 20 30 EHEDLO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001176831518 1133004132 /nfs/dbraw/zinc/00/41/32/1133004132.db2.gz UWLFDSSQPYQXQV-INIZCTEOSA-N 1 2 344.418 3.614 20 30 EHEDLO CCCC[C@H](ON=C(C)C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767750120 1133047171 /nfs/dbraw/zinc/04/71/71/1133047171.db2.gz FOOMZIMSIUYVFO-SFHVURJKSA-N 1 2 343.427 3.887 20 30 EHEDLO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000767920652 1133067983 /nfs/dbraw/zinc/06/79/83/1133067983.db2.gz MNMHNISKOVLFJO-UHFFFAOYSA-N 1 2 337.167 3.889 20 30 EHEDLO CCCOc1ccc2c(c1)C(=O)/C(=C/c1cccc3[nH+]ccn31)CO2 ZINC000769606125 1133320839 /nfs/dbraw/zinc/32/08/39/1133320839.db2.gz BJHVKZVXUKCAEA-SDNWHVSQSA-N 1 2 334.375 3.782 20 30 EHEDLO Cc1ccc(N=C2NC(=O)/C(=C/c3cccc4[nH+]ccn43)S2)c(C)c1 ZINC000771281009 1133536300 /nfs/dbraw/zinc/53/63/00/1133536300.db2.gz HQMCQNHPEOSUQN-WJDWOHSUSA-N 1 2 348.431 3.843 20 30 EHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000774595354 1133775396 /nfs/dbraw/zinc/77/53/96/1133775396.db2.gz BYXQOIQJEUHRJI-MRXNPFEDSA-N 1 2 347.434 3.529 20 30 EHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000774595354 1133775401 /nfs/dbraw/zinc/77/54/01/1133775401.db2.gz BYXQOIQJEUHRJI-MRXNPFEDSA-N 1 2 347.434 3.529 20 30 EHEDLO CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000790307393 1134400821 /nfs/dbraw/zinc/40/08/21/1134400821.db2.gz XSTKYRJETVTLQP-UHFFFAOYSA-N 1 2 339.330 3.756 20 30 EHEDLO Fc1ccc(OC2CC[NH+](CC#Cc3ccccc3Cl)CC2)cn1 ZINC000792386285 1134683869 /nfs/dbraw/zinc/68/38/69/1134683869.db2.gz URNOASZJUUCLPK-UHFFFAOYSA-N 1 2 344.817 3.769 20 30 EHEDLO CC(C)(C#N)c1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001190912512 1134769078 /nfs/dbraw/zinc/76/90/78/1134769078.db2.gz MYLQCHUVFDNNCA-UHFFFAOYSA-N 1 2 330.391 3.926 20 30 EHEDLO CCCCCCCCNC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001191068091 1134785340 /nfs/dbraw/zinc/78/53/40/1134785340.db2.gz GJYRNMZLDVMABY-GOSISDBHSA-N 1 2 333.476 3.995 20 30 EHEDLO CCCCCCCNC(=O)NCc1c[nH+]cn1Cc1ccccc1F ZINC001191123689 1134797676 /nfs/dbraw/zinc/79/76/76/1134797676.db2.gz UQMUDPBCKZHMPW-UHFFFAOYSA-N 1 2 346.450 3.840 20 30 EHEDLO Clc1nc(Nc2ccccc2)sc1C=[NH+]N[C@H]1CCSC1 ZINC000807999626 1135602130 /nfs/dbraw/zinc/60/21/30/1135602130.db2.gz RUIBMUOCARLOBF-NSHDSACASA-N 1 2 338.889 3.969 20 30 EHEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1ccoc1 ZINC000747529319 1135737349 /nfs/dbraw/zinc/73/73/49/1135737349.db2.gz HPIJHLHWCAWYSP-UHFFFAOYSA-N 1 2 339.439 3.665 20 30 EHEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1ccoc1 ZINC000747529319 1135737354 /nfs/dbraw/zinc/73/73/54/1135737354.db2.gz HPIJHLHWCAWYSP-UHFFFAOYSA-N 1 2 339.439 3.665 20 30 EHEDLO CCCC[N@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1Cl ZINC000338920085 1136170631 /nfs/dbraw/zinc/17/06/31/1136170631.db2.gz PMUUXJKNPDJNBO-UHFFFAOYSA-N 1 2 335.879 3.704 20 30 EHEDLO CCCC[N@@H+](CC(=O)N(CC)CCC#N)Cc1ccccc1Cl ZINC000338920085 1136170633 /nfs/dbraw/zinc/17/06/33/1136170633.db2.gz PMUUXJKNPDJNBO-UHFFFAOYSA-N 1 2 335.879 3.704 20 30 EHEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H](C)CC(C)(C)C#N)CC2)cs1 ZINC000851208073 1136351359 /nfs/dbraw/zinc/35/13/59/1136351359.db2.gz NNKHYHDGUJNEOR-CYBMUJFWSA-N 1 2 349.500 3.535 20 30 EHEDLO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852326276 1136448989 /nfs/dbraw/zinc/44/89/89/1136448989.db2.gz NBEWRDYWXVNOOD-NRFANRHFSA-N 1 2 335.451 3.926 20 30 EHEDLO CC(C)Oc1cccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852326276 1136448991 /nfs/dbraw/zinc/44/89/91/1136448991.db2.gz NBEWRDYWXVNOOD-NRFANRHFSA-N 1 2 335.451 3.926 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000852333099 1136450146 /nfs/dbraw/zinc/45/01/46/1136450146.db2.gz ZVWUJJASLPFYSD-NRFANRHFSA-N 1 2 328.419 3.687 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000852333099 1136450149 /nfs/dbraw/zinc/45/01/49/1136450149.db2.gz ZVWUJJASLPFYSD-NRFANRHFSA-N 1 2 328.419 3.687 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852686702 1136477649 /nfs/dbraw/zinc/47/76/49/1136477649.db2.gz ZVMJBQVGYPKIQW-QLFBSQMISA-N 1 2 337.448 3.656 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852686702 1136477650 /nfs/dbraw/zinc/47/76/50/1136477650.db2.gz ZVMJBQVGYPKIQW-QLFBSQMISA-N 1 2 337.448 3.656 20 30 EHEDLO Brc1cc(N[NH+]=C2CC[C@H]3CNc4cccc2c43)ccn1 ZINC000814904302 1136523087 /nfs/dbraw/zinc/52/30/87/1136523087.db2.gz CJWWPZPFKQZWOC-JTQLQIEISA-N 1 2 343.228 3.963 20 30 EHEDLO CC(=[NH+]Nc1ccnc(Cl)c1)c1c(F)cccc1N1CCOCC1 ZINC000853394813 1136530142 /nfs/dbraw/zinc/53/01/42/1136530142.db2.gz ZVNOWCGMUYGDBW-UHFFFAOYSA-N 1 2 348.809 3.547 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCc1csc([C@H](C)OC)n1 ZINC000853429728 1136531506 /nfs/dbraw/zinc/53/15/06/1136531506.db2.gz PPCUMMFJMYCBLH-ZDUSSCGKSA-N 1 2 331.441 3.650 20 30 EHEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)C3(CCCC3)[C@H]2c2ccccc2)C1 ZINC000853523064 1136540354 /nfs/dbraw/zinc/54/03/54/1136540354.db2.gz AKPJIESWDYNQES-PKOBYXMFSA-N 1 2 337.467 3.713 20 30 EHEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)C3(CCCC3)[C@H]2c2ccccc2)C1 ZINC000853523064 1136540357 /nfs/dbraw/zinc/54/03/57/1136540357.db2.gz AKPJIESWDYNQES-PKOBYXMFSA-N 1 2 337.467 3.713 20 30 EHEDLO C=CCC(C)(C)c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000815706155 1136631248 /nfs/dbraw/zinc/63/12/48/1136631248.db2.gz TWJOUOPOPCLHFW-UHFFFAOYSA-N 1 2 339.355 3.684 20 30 EHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cncc(Oc3ccccc3)c2)cc1 ZINC001170983618 1137054174 /nfs/dbraw/zinc/05/41/74/1137054174.db2.gz CASAPERUJLMSAS-UHFFFAOYSA-N 1 2 347.374 3.698 20 30 EHEDLO Cc1[nH+]c(NCc2ccc(O[C@H](C)C#N)cc2)ccc1-c1cnn(C)c1 ZINC000824445469 1137138315 /nfs/dbraw/zinc/13/83/15/1137138315.db2.gz AAODJRVUARMOGW-CQSZACIVSA-N 1 2 347.422 3.694 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000862549556 1137149776 /nfs/dbraw/zinc/14/97/76/1137149776.db2.gz AFMASDHXHJAYGF-AWEZNQCLSA-N 1 2 326.371 3.511 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000862549556 1137149777 /nfs/dbraw/zinc/14/97/77/1137149777.db2.gz AFMASDHXHJAYGF-AWEZNQCLSA-N 1 2 326.371 3.511 20 30 EHEDLO Cc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001143672729 1137188175 /nfs/dbraw/zinc/18/81/75/1137188175.db2.gz OMHATLFVCNRTID-AWEZNQCLSA-N 1 2 327.371 3.788 20 30 EHEDLO Cc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001143672729 1137188177 /nfs/dbraw/zinc/18/81/77/1137188177.db2.gz OMHATLFVCNRTID-AWEZNQCLSA-N 1 2 327.371 3.788 20 30 EHEDLO COc1ccc(N[NH+]=Cc2ccc(N(C)C)cc2C(F)(F)F)nc1 ZINC000794536501 1137192277 /nfs/dbraw/zinc/19/22/77/1137192277.db2.gz OYHBIBYLECCLEZ-UHFFFAOYSA-N 1 2 338.333 3.621 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2cccc(OC(F)F)c2)s1 ZINC000794695425 1137234855 /nfs/dbraw/zinc/23/48/55/1137234855.db2.gz NZOYIPMFYXICLQ-VOTSOKGWSA-N 1 2 338.379 3.702 20 30 EHEDLO Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](Cc3ccc(C#N)cn3)C2)c1 ZINC001144160689 1137246526 /nfs/dbraw/zinc/24/65/26/1137246526.db2.gz RGYYBTXYZSNLTP-QGZVFWFLSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)c1 ZINC001144160689 1137246527 /nfs/dbraw/zinc/24/65/27/1137246527.db2.gz RGYYBTXYZSNLTP-QGZVFWFLSA-N 1 2 341.842 3.959 20 30 EHEDLO C=C[C@@H](OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(C)(C)C ZINC000805962003 1137264322 /nfs/dbraw/zinc/26/43/22/1137264322.db2.gz AGZGZERWWAOENH-MRXNPFEDSA-N 1 2 336.501 3.807 20 30 EHEDLO N#Cc1ccc(C2CC[NH+](Cc3cc(F)c(O)cc3F)CC2)cc1 ZINC001144659267 1137327383 /nfs/dbraw/zinc/32/73/83/1137327383.db2.gz AWMBHHNJYGWHJK-UHFFFAOYSA-N 1 2 328.362 3.922 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cccc(N2CCCC2=O)c1 ZINC000866242830 1137338534 /nfs/dbraw/zinc/33/85/34/1137338534.db2.gz MZXDVSBCCSKRAP-HUUCEWRRSA-N 1 2 349.434 3.802 20 30 EHEDLO Brc1cscc1C=NNc1cc[nH+]c2ccccc12 ZINC000794908312 1137342675 /nfs/dbraw/zinc/34/26/75/1137342675.db2.gz FTQNQHYWEDTKSR-UHFFFAOYSA-N 1 2 332.226 3.927 20 30 EHEDLO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866287760 1137342915 /nfs/dbraw/zinc/34/29/15/1137342915.db2.gz QTBVKOBZIVNPOV-VBHSOAQHSA-N 1 2 328.387 3.566 20 30 EHEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)[C@@H](O)c1c(F)cccc1F ZINC000866303101 1137343681 /nfs/dbraw/zinc/34/36/81/1137343681.db2.gz NRHLWJHYSHAXAA-WQFAYQGZSA-N 1 2 346.377 3.705 20 30 EHEDLO COc1ccc(C(C)=NNc2cc[nH+]c3ccccc23)c(C)c1OC ZINC000794910447 1137344315 /nfs/dbraw/zinc/34/43/15/1137344315.db2.gz YVYSGIRGWURZIP-UHFFFAOYSA-N 1 2 335.407 3.818 20 30 EHEDLO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171461522 1137490652 /nfs/dbraw/zinc/49/06/52/1137490652.db2.gz XKCTUEPSTPRWBC-QAPCUYQASA-N 1 2 337.410 3.556 20 30 EHEDLO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1cccc(C#N)c1F ZINC001171598762 1137500087 /nfs/dbraw/zinc/50/00/87/1137500087.db2.gz KNWBVMDDWJKQCO-UHFFFAOYSA-N 1 2 334.297 3.651 20 30 EHEDLO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1cccc(C#N)c1F ZINC001171598762 1137500088 /nfs/dbraw/zinc/50/00/88/1137500088.db2.gz KNWBVMDDWJKQCO-UHFFFAOYSA-N 1 2 334.297 3.651 20 30 EHEDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000795177320 1137545789 /nfs/dbraw/zinc/54/57/89/1137545789.db2.gz LINHMFBDJSGGEZ-KRWDZBQOSA-N 1 2 339.439 3.664 20 30 EHEDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000795177320 1137545790 /nfs/dbraw/zinc/54/57/90/1137545790.db2.gz LINHMFBDJSGGEZ-KRWDZBQOSA-N 1 2 339.439 3.664 20 30 EHEDLO C=CCC(C)(C)c1noc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)n1 ZINC000872182819 1137575576 /nfs/dbraw/zinc/57/55/76/1137575576.db2.gz RLNQCCIJVPVPAZ-LBPRGKRZSA-N 1 2 325.334 3.990 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)nc1-c1ccco1 ZINC000872711824 1137583058 /nfs/dbraw/zinc/58/30/58/1137583058.db2.gz CNWFFOZDSQCSKO-GASCZTMLSA-N 1 2 342.468 3.716 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)nc1-c1ccco1 ZINC000872711824 1137583059 /nfs/dbraw/zinc/58/30/59/1137583059.db2.gz CNWFFOZDSQCSKO-GASCZTMLSA-N 1 2 342.468 3.716 20 30 EHEDLO C=CC(C)(C)CCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000872812140 1137584798 /nfs/dbraw/zinc/58/47/98/1137584798.db2.gz CZBKHMQCPLEWRE-UHFFFAOYSA-N 1 2 340.471 3.723 20 30 EHEDLO C=C[C@H](CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000874892704 1137625743 /nfs/dbraw/zinc/62/57/43/1137625743.db2.gz KRASFDOTFIMORW-UZLBHIALSA-N 1 2 338.426 3.659 20 30 EHEDLO Cc1cccn2c(/C=C/C(=O)c3c(Cl)nc4ccccn43)c[nH+]c12 ZINC000125379643 1137632130 /nfs/dbraw/zinc/63/21/30/1137632130.db2.gz VERCYOTWKPGDRN-BQYQJAHWSA-N 1 2 336.782 3.840 20 30 EHEDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C#N)cnc1Cl)CCC2 ZINC000876731382 1137659657 /nfs/dbraw/zinc/65/96/57/1137659657.db2.gz JMROIMFKUHMDKE-CQSZACIVSA-N 1 2 332.860 3.881 20 30 EHEDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C#N)cnc1Cl)CCC2 ZINC000876731382 1137659658 /nfs/dbraw/zinc/65/96/58/1137659658.db2.gz JMROIMFKUHMDKE-CQSZACIVSA-N 1 2 332.860 3.881 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccc(Cl)cc1 ZINC000825949099 1137673685 /nfs/dbraw/zinc/67/36/85/1137673685.db2.gz PMYXODHSPRMKSY-CYBMUJFWSA-N 1 2 327.737 3.556 20 30 EHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735735 1137687220 /nfs/dbraw/zinc/68/72/20/1137687220.db2.gz FIXCQKPXIWHRRW-UHFFFAOYSA-N 1 2 340.402 3.727 20 30 EHEDLO N#Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1C1CC1 ZINC000881124581 1137800645 /nfs/dbraw/zinc/80/06/45/1137800645.db2.gz RAZOTSJNWCRYMX-UHFFFAOYSA-N 1 2 335.411 3.501 20 30 EHEDLO Cc1cccc(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1C ZINC001202691295 1137927420 /nfs/dbraw/zinc/92/74/20/1137927420.db2.gz GTMUTTXKMWXNDP-UHFFFAOYSA-N 1 2 340.452 3.869 20 30 EHEDLO Cc1cccc(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1C ZINC001202691295 1137927421 /nfs/dbraw/zinc/92/74/21/1137927421.db2.gz GTMUTTXKMWXNDP-UHFFFAOYSA-N 1 2 340.452 3.869 20 30 EHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135111676 1137963736 /nfs/dbraw/zinc/96/37/36/1137963736.db2.gz WQNNAONLWZPKQI-UHFFFAOYSA-N 1 2 343.471 3.540 20 30 EHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000338044632 1138732507 /nfs/dbraw/zinc/73/25/07/1138732507.db2.gz CYXXYVHFESEIRB-UHFFFAOYSA-N 1 2 332.363 3.576 20 30 EHEDLO COC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccco1 ZINC000184612461 1140111515 /nfs/dbraw/zinc/11/15/15/1140111515.db2.gz GZMKBMWEWCEABC-HNNXBMFYSA-N 1 2 339.313 3.507 20 30 EHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000185391542 1140148613 /nfs/dbraw/zinc/14/86/13/1140148613.db2.gz IRJUAZGEJKSRES-GVDBMIGSSA-N 1 2 330.472 3.837 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185963847 1140179725 /nfs/dbraw/zinc/17/97/25/1140179725.db2.gz SZBWJOQRFBUDRJ-NSHDSACASA-N 1 2 349.422 3.627 20 30 EHEDLO O=C1c2cc(C(F)(F)F)cnc2CC/C1=C\c1c[nH+]c2ccccn12 ZINC000777467704 1140414798 /nfs/dbraw/zinc/41/47/98/1140414798.db2.gz MSIWHDCLSPOADS-YRNVUSSQSA-N 1 2 343.308 3.961 20 30 EHEDLO C=CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2)nnc1C1CC1 ZINC000191504940 1140468053 /nfs/dbraw/zinc/46/80/53/1140468053.db2.gz ALQYHHJEKJVYPM-UHFFFAOYSA-N 1 2 337.452 3.820 20 30 EHEDLO C#CCCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1 ZINC000268189478 1140900067 /nfs/dbraw/zinc/90/00/67/1140900067.db2.gz KMKOMHQLSMABMN-UHFFFAOYSA-N 1 2 329.469 3.528 20 30 EHEDLO CC(C)c1nc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)no1 ZINC000268265979 1140911901 /nfs/dbraw/zinc/91/19/01/1140911901.db2.gz AZPZOTMQVZKLRH-UHFFFAOYSA-N 1 2 328.391 3.583 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000348877255 1141602217 /nfs/dbraw/zinc/60/22/17/1141602217.db2.gz OTZBJGNIIOUBDY-XMMPIXPASA-N 1 2 345.512 3.780 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000348877255 1141602220 /nfs/dbraw/zinc/60/22/20/1141602220.db2.gz OTZBJGNIIOUBDY-XMMPIXPASA-N 1 2 345.512 3.780 20 30 EHEDLO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186901126 1014553841 /nfs/dbraw/zinc/55/38/41/1014553841.db2.gz OWDWZWORKWTTIB-AWEZNQCLSA-N 1 2 347.890 3.584 20 30 EHEDLO C[N@H+](CCCOCc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459435294 1032095940 /nfs/dbraw/zinc/09/59/40/1032095940.db2.gz OZMBTTFRUSHKIY-UHFFFAOYSA-N 1 2 339.395 3.505 20 30 EHEDLO C[N@@H+](CCCOCc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459435294 1032095947 /nfs/dbraw/zinc/09/59/47/1032095947.db2.gz OZMBTTFRUSHKIY-UHFFFAOYSA-N 1 2 339.395 3.505 20 30 EHEDLO C=C[C@@H](CC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000119002793 1014704881 /nfs/dbraw/zinc/70/48/81/1014704881.db2.gz NRECMQBGTVHFTA-KRWDZBQOSA-N 1 2 333.435 3.661 20 30 EHEDLO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1C#N ZINC000247053803 1016363224 /nfs/dbraw/zinc/36/32/24/1016363224.db2.gz ZKCZQVSTMNUKIS-XOBRGWDASA-N 1 2 340.398 3.668 20 30 EHEDLO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1C#N ZINC000247053803 1016363237 /nfs/dbraw/zinc/36/32/37/1016363237.db2.gz ZKCZQVSTMNUKIS-XOBRGWDASA-N 1 2 340.398 3.668 20 30 EHEDLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001204463502 1016583922 /nfs/dbraw/zinc/58/39/22/1016583922.db2.gz OXSODCDKKMITFH-UHFFFAOYSA-N 1 2 345.258 3.734 20 30 EHEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000459471439 1032184826 /nfs/dbraw/zinc/18/48/26/1032184826.db2.gz VPOAWXNBGHTUQC-CABZTGNLSA-N 1 2 345.752 3.579 20 30 EHEDLO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc(C#N)c1O ZINC000924597316 1017074151 /nfs/dbraw/zinc/07/41/51/1017074151.db2.gz IDPRWIBQYFUAAQ-SJORKVTESA-N 1 2 330.815 3.692 20 30 EHEDLO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329814898 1032593252 /nfs/dbraw/zinc/59/32/52/1032593252.db2.gz DWQICFWNOAERNK-JQFCIGGWSA-N 1 2 332.444 3.561 20 30 EHEDLO COc1ccccc1NC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329814898 1032593262 /nfs/dbraw/zinc/59/32/62/1032593262.db2.gz DWQICFWNOAERNK-JQFCIGGWSA-N 1 2 332.444 3.561 20 30 EHEDLO CC(C)C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)n1cc[nH+]c1 ZINC000602097039 1032640182 /nfs/dbraw/zinc/64/01/82/1032640182.db2.gz QKLVIEDHCZQULG-QGZVFWFLSA-N 1 2 328.391 3.556 20 30 EHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000023642842 1017441344 /nfs/dbraw/zinc/44/13/44/1017441344.db2.gz YJEUICQRUMNDAE-UHFFFAOYSA-N 1 2 347.462 3.640 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2Cc3ccccc3C2)cc1 ZINC000155483133 1017992909 /nfs/dbraw/zinc/99/29/09/1017992909.db2.gz NZSOSRIDSSPLCY-KRWDZBQOSA-N 1 2 333.435 3.646 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000610432548 1019093288 /nfs/dbraw/zinc/09/32/88/1019093288.db2.gz AVBYTKXZYKKXJU-LJQANCHMSA-N 1 2 325.843 3.722 20 30 EHEDLO N#Cc1nnc2ccccc2c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000077188439 1020213937 /nfs/dbraw/zinc/21/39/37/1020213937.db2.gz PTEAAOGUTXUPOT-UHFFFAOYSA-N 1 2 330.395 3.630 20 30 EHEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000602490616 1032918867 /nfs/dbraw/zinc/91/88/67/1032918867.db2.gz DHCVMLQXGZHLFZ-CQSZACIVSA-N 1 2 328.391 3.522 20 30 EHEDLO Cc1cc2c(s1)N(c1ccc(C#N)nn1)c1ccccc1NC2=[NH2+] ZINC001167457171 1020778903 /nfs/dbraw/zinc/77/89/03/1020778903.db2.gz UHLJAZVEXHTRSX-UHFFFAOYSA-N 1 2 332.392 3.538 20 30 EHEDLO C=CC[S@](=O)(=NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC000891383011 1020823894 /nfs/dbraw/zinc/82/38/94/1020823894.db2.gz VHGVQCBLPFPVPA-MZNJEOGPSA-N 1 2 345.468 3.710 20 30 EHEDLO Cn1ncc2c1CC(C)(C)C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000664875455 1021414701 /nfs/dbraw/zinc/41/47/01/1021414701.db2.gz CDJZGQDQSXJUFC-UHFFFAOYSA-N 1 2 327.859 3.510 20 30 EHEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000664875455 1021414709 /nfs/dbraw/zinc/41/47/09/1021414709.db2.gz CDJZGQDQSXJUFC-UHFFFAOYSA-N 1 2 327.859 3.510 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccnn1CC(C)C)c1ccc(Br)cc1 ZINC000894871440 1021547637 /nfs/dbraw/zinc/54/76/37/1021547637.db2.gz UPPXINXXQFXQJJ-QGZVFWFLSA-N 1 2 346.272 3.766 20 30 EHEDLO COCc1nc(C[NH2+]Cc2ccc(C#N)o2)c(-c2ccccc2)s1 ZINC000441371602 1022195477 /nfs/dbraw/zinc/19/54/77/1022195477.db2.gz MJUQTRGWJQPJHN-UHFFFAOYSA-N 1 2 339.420 3.711 20 30 EHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)[C@H]1C ZINC000328823662 1022496252 /nfs/dbraw/zinc/49/62/52/1022496252.db2.gz PMYHBPPYVVYSIS-MUQADHOPSA-N 1 2 332.492 3.728 20 30 EHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)[C@H]1C ZINC000328823662 1022496259 /nfs/dbraw/zinc/49/62/59/1022496259.db2.gz PMYHBPPYVVYSIS-MUQADHOPSA-N 1 2 332.492 3.728 20 30 EHEDLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328923641 1022547980 /nfs/dbraw/zinc/54/79/80/1022547980.db2.gz NFIXLVSEOWKGFZ-AUUYWEPGSA-N 1 2 338.455 3.827 20 30 EHEDLO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328923641 1022547989 /nfs/dbraw/zinc/54/79/89/1022547989.db2.gz NFIXLVSEOWKGFZ-AUUYWEPGSA-N 1 2 338.455 3.827 20 30 EHEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000330826730 1022681561 /nfs/dbraw/zinc/68/15/61/1022681561.db2.gz IVVNOLZMNJANAM-PELKAZGASA-N 1 2 346.645 3.867 20 30 EHEDLO C=CCC(C)(C)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009952 1022695376 /nfs/dbraw/zinc/69/53/76/1022695376.db2.gz UBVIUSLUUDTNNC-WBVHZDCISA-N 1 2 341.455 3.885 20 30 EHEDLO C=CCC(C)(C)c1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665009952 1022695380 /nfs/dbraw/zinc/69/53/80/1022695380.db2.gz UBVIUSLUUDTNNC-WBVHZDCISA-N 1 2 341.455 3.885 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331320216 1022785896 /nfs/dbraw/zinc/78/58/96/1022785896.db2.gz DWSBTFMFBZMIEG-RBZYPMLTSA-N 1 2 326.227 3.602 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC001168413054 1033088033 /nfs/dbraw/zinc/08/80/33/1033088033.db2.gz FJGIWUDQWRGCRR-UHFFFAOYSA-N 1 2 339.822 3.536 20 30 EHEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC001168413054 1033088049 /nfs/dbraw/zinc/08/80/49/1033088049.db2.gz FJGIWUDQWRGCRR-UHFFFAOYSA-N 1 2 339.822 3.536 20 30 EHEDLO CC[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H](C)C#N ZINC000091983742 1023336875 /nfs/dbraw/zinc/33/68/75/1023336875.db2.gz AILBRCHIXVXRKV-LBPRGKRZSA-N 1 2 335.245 3.706 20 30 EHEDLO CC[N@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H](C)C#N ZINC000091983742 1023336882 /nfs/dbraw/zinc/33/68/82/1023336882.db2.gz AILBRCHIXVXRKV-LBPRGKRZSA-N 1 2 335.245 3.706 20 30 EHEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000602752764 1033143566 /nfs/dbraw/zinc/14/35/66/1033143566.db2.gz UAKXDNXVTPZTDB-OAHLLOKOSA-N 1 2 331.419 3.585 20 30 EHEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000602752764 1033143578 /nfs/dbraw/zinc/14/35/78/1033143578.db2.gz UAKXDNXVTPZTDB-OAHLLOKOSA-N 1 2 331.419 3.585 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000548492698 1023692079 /nfs/dbraw/zinc/69/20/79/1023692079.db2.gz WRAXYBDDKGOABG-XHDPSFHLSA-N 1 2 340.345 3.508 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000548492698 1023692082 /nfs/dbraw/zinc/69/20/82/1023692082.db2.gz WRAXYBDDKGOABG-XHDPSFHLSA-N 1 2 340.345 3.508 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000548492696 1023692510 /nfs/dbraw/zinc/69/25/10/1023692510.db2.gz WRAXYBDDKGOABG-IAQYHMDHSA-N 1 2 340.345 3.508 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000548492696 1023692511 /nfs/dbraw/zinc/69/25/11/1023692511.db2.gz WRAXYBDDKGOABG-IAQYHMDHSA-N 1 2 340.345 3.508 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000341996018 1023740938 /nfs/dbraw/zinc/74/09/38/1023740938.db2.gz RJTCQAKXXMRDMN-UHFFFAOYSA-N 1 2 327.453 3.562 20 30 EHEDLO C=CCn1c(=S)n(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nc1-c1ccco1 ZINC000176192155 1023857827 /nfs/dbraw/zinc/85/78/27/1023857827.db2.gz WEZUQWVFSFHHAG-HUUCEWRRSA-N 1 2 344.484 3.940 20 30 EHEDLO Cc1ccc(C)c([C@@H]2CCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000330182751 1024345196 /nfs/dbraw/zinc/34/51/96/1024345196.db2.gz HMZDXGCWDZJKKG-WMZOPIPTSA-N 1 2 338.455 3.566 20 30 EHEDLO Cc1c(C#N)c(N2CCC(Nc3cccc[nH+]3)CC2)nc2ccccc12 ZINC000895349074 1024357953 /nfs/dbraw/zinc/35/79/53/1024357953.db2.gz HLGHBKPNKOKIPB-UHFFFAOYSA-N 1 2 343.434 3.891 20 30 EHEDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)o1 ZINC000434982091 1024527362 /nfs/dbraw/zinc/52/73/62/1024527362.db2.gz NIHHGXVENUNSBG-NSISKUIASA-N 1 2 335.451 3.785 20 30 EHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000665392160 1024541802 /nfs/dbraw/zinc/54/18/02/1024541802.db2.gz UBLGNULMDLIEMD-BDXSIMOUSA-N 1 2 330.476 3.611 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1OC ZINC000346276676 1024566195 /nfs/dbraw/zinc/56/61/95/1024566195.db2.gz MCRVNFOEHZGLFX-CQSZACIVSA-N 1 2 330.453 3.772 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1OC ZINC000346276676 1024566200 /nfs/dbraw/zinc/56/62/00/1024566200.db2.gz MCRVNFOEHZGLFX-CQSZACIVSA-N 1 2 330.453 3.772 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000346299492 1024614771 /nfs/dbraw/zinc/61/47/71/1024614771.db2.gz BEEGPFKYVWERIH-CQSZACIVSA-N 1 2 325.437 3.635 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000346299492 1024614774 /nfs/dbraw/zinc/61/47/74/1024614774.db2.gz BEEGPFKYVWERIH-CQSZACIVSA-N 1 2 325.437 3.635 20 30 EHEDLO C=CCC[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000435100041 1024621326 /nfs/dbraw/zinc/62/13/26/1024621326.db2.gz BGLKUAVXBRUZFR-GOSISDBHSA-N 1 2 338.455 3.890 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC000895656242 1024692892 /nfs/dbraw/zinc/69/28/92/1024692892.db2.gz OQSCQZMHNSSVPJ-CYBMUJFWSA-N 1 2 328.362 3.814 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC000895656242 1024692899 /nfs/dbraw/zinc/69/28/99/1024692899.db2.gz OQSCQZMHNSSVPJ-CYBMUJFWSA-N 1 2 328.362 3.814 20 30 EHEDLO C=CCCn1cc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)nn1 ZINC000657296628 1024701514 /nfs/dbraw/zinc/70/15/14/1024701514.db2.gz JBSMSMSELQKTCW-HNNXBMFYSA-N 1 2 334.876 3.834 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000474431517 1024957113 /nfs/dbraw/zinc/95/71/13/1024957113.db2.gz ZNFYRQAXBYLLIJ-AWEZNQCLSA-N 1 2 343.496 3.914 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000474431517 1024957115 /nfs/dbraw/zinc/95/71/15/1024957115.db2.gz ZNFYRQAXBYLLIJ-AWEZNQCLSA-N 1 2 343.496 3.914 20 30 EHEDLO Cn1cc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1C#N ZINC000277463824 1025194573 /nfs/dbraw/zinc/19/45/73/1025194573.db2.gz BNLZSFWJOHDAOR-UHFFFAOYSA-N 1 2 331.423 3.709 20 30 EHEDLO N#Cc1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1F ZINC000342406173 1025226214 /nfs/dbraw/zinc/22/62/14/1025226214.db2.gz FUZPNIMKRZUOSF-MRXNPFEDSA-N 1 2 334.354 3.581 20 30 EHEDLO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C#N)CC2)c1 ZINC000142106558 1025329068 /nfs/dbraw/zinc/32/90/68/1025329068.db2.gz SXRBPHGXWZRKMF-FQEVSTJZSA-N 1 2 349.434 3.611 20 30 EHEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000184881520 1025375182 /nfs/dbraw/zinc/37/51/82/1025375182.db2.gz NYKGJMWKCJOEOS-CQSZACIVSA-N 1 2 346.390 3.503 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccc(OC)cc1 ZINC000515745056 1025537665 /nfs/dbraw/zinc/53/76/65/1025537665.db2.gz NVTKTSXCZCDSRA-ABSDTBQOSA-N 1 2 344.499 3.624 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccc(OC)cc1 ZINC000515745056 1025537677 /nfs/dbraw/zinc/53/76/77/1025537677.db2.gz NVTKTSXCZCDSRA-ABSDTBQOSA-N 1 2 344.499 3.624 20 30 EHEDLO COc1ccc(-c2nnc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000425548175 1025711954 /nfs/dbraw/zinc/71/19/54/1025711954.db2.gz XVOHSKMAZHILBZ-CQSZACIVSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1ccc(-c2nnc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000425548175 1025711967 /nfs/dbraw/zinc/71/19/67/1025711967.db2.gz XVOHSKMAZHILBZ-CQSZACIVSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1ccc(-c2nnc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000425547699 1025719760 /nfs/dbraw/zinc/71/97/60/1025719760.db2.gz XVOHSKMAZHILBZ-AWEZNQCLSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1ccc(-c2nnc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)o2)cc1 ZINC000425547699 1025719788 /nfs/dbraw/zinc/71/97/88/1025719788.db2.gz XVOHSKMAZHILBZ-AWEZNQCLSA-N 1 2 348.406 3.810 20 30 EHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)o1 ZINC000531210287 1026689680 /nfs/dbraw/zinc/68/96/80/1026689680.db2.gz WSUFGLKWRUUMOE-MSOLQXFVSA-N 1 2 338.407 3.646 20 30 EHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)o1 ZINC000531210287 1026689688 /nfs/dbraw/zinc/68/96/88/1026689688.db2.gz WSUFGLKWRUUMOE-MSOLQXFVSA-N 1 2 338.407 3.646 20 30 EHEDLO COc1ccccc1C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCCO1 ZINC000051798825 1026813703 /nfs/dbraw/zinc/81/37/03/1026813703.db2.gz ISYFFIGMBDSVME-HXUWFJFHSA-N 1 2 336.435 3.748 20 30 EHEDLO COc1ccccc1C[N@H+](Cc1ccccc1C#N)C[C@H]1CCCO1 ZINC000051798825 1026813713 /nfs/dbraw/zinc/81/37/13/1026813713.db2.gz ISYFFIGMBDSVME-HXUWFJFHSA-N 1 2 336.435 3.748 20 30 EHEDLO N#Cc1cc(Cl)c(C(=O)Nc2ccc3[nH+]ccn3c2)c(Cl)c1 ZINC001167597022 1026911325 /nfs/dbraw/zinc/91/13/25/1026911325.db2.gz BDMBSEGDGXZSPR-UHFFFAOYSA-N 1 2 331.162 3.765 20 30 EHEDLO Cc1cc(Br)cn2c(CN3CCC(C)(C#N)CC3)c[nH+]c12 ZINC000273125761 1027278630 /nfs/dbraw/zinc/27/86/30/1027278630.db2.gz AMIHCBINKRROND-UHFFFAOYSA-N 1 2 347.260 3.531 20 30 EHEDLO COc1ccc(CCC[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459302920 1027454041 /nfs/dbraw/zinc/45/40/41/1027454041.db2.gz LYDVNZNOZNZVFL-UHFFFAOYSA-N 1 2 339.395 3.540 20 30 EHEDLO COc1ccc(CCC[N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC000459302920 1027454050 /nfs/dbraw/zinc/45/40/50/1027454050.db2.gz LYDVNZNOZNZVFL-UHFFFAOYSA-N 1 2 339.395 3.540 20 30 EHEDLO FC(F)(F)c1ccc(NN=Cc2cc(-n3cc[nH+]c3)cs2)nc1 ZINC000783791735 1027483613 /nfs/dbraw/zinc/48/36/13/1027483613.db2.gz YNHNRSWKSDUPEY-UHFFFAOYSA-N 1 2 337.330 3.794 20 30 EHEDLO Cc1cc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(C)[nH+]1 ZINC000420844395 1027785882 /nfs/dbraw/zinc/78/58/82/1027785882.db2.gz GTJZJLWMYSXRNT-UXHICEINSA-N 1 2 348.450 3.680 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000420933977 1027885219 /nfs/dbraw/zinc/88/52/19/1027885219.db2.gz JGYNQLSWEPQBKD-HNNXBMFYSA-N 1 2 349.883 3.668 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000420933977 1027885236 /nfs/dbraw/zinc/88/52/36/1027885236.db2.gz JGYNQLSWEPQBKD-HNNXBMFYSA-N 1 2 349.883 3.668 20 30 EHEDLO C=CCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000533488680 1027947729 /nfs/dbraw/zinc/94/77/29/1027947729.db2.gz RWVLVIZUFCNIBJ-UHFFFAOYSA-N 1 2 330.378 3.982 20 30 EHEDLO C=CCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000533488680 1027947746 /nfs/dbraw/zinc/94/77/46/1027947746.db2.gz RWVLVIZUFCNIBJ-UHFFFAOYSA-N 1 2 330.378 3.982 20 30 EHEDLO CC(C)(C)OC(=O)C1([NH2+]CCCOc2cccc(C#N)c2)CCCC1 ZINC000533516228 1028002273 /nfs/dbraw/zinc/00/22/73/1028002273.db2.gz HPUHEGONCFJSPR-UHFFFAOYSA-N 1 2 344.455 3.571 20 30 EHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000533520268 1028039140 /nfs/dbraw/zinc/03/91/40/1028039140.db2.gz FJHKPKXPMATKDQ-OAQYLSRUSA-N 1 2 348.446 3.697 20 30 EHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000533520268 1028039158 /nfs/dbraw/zinc/03/91/58/1028039158.db2.gz FJHKPKXPMATKDQ-OAQYLSRUSA-N 1 2 348.446 3.697 20 30 EHEDLO C=CC[C@H]1N(C(=O)NCCCNc2cccc[nH+]2)CCCC1(C)C ZINC000444844751 1028344517 /nfs/dbraw/zinc/34/45/17/1028344517.db2.gz DRGBTNMOUPEYNX-MRXNPFEDSA-N 1 2 330.476 3.660 20 30 EHEDLO N#CC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000057907898 1028379574 /nfs/dbraw/zinc/37/95/74/1028379574.db2.gz NGASGMCFMXIWSY-IBGZPJMESA-N 1 2 337.398 3.741 20 30 EHEDLO CCCOc1ccc(CNc2[nH+]cccc2OCCCC#N)c(O)c1 ZINC000162235962 1028508555 /nfs/dbraw/zinc/50/85/55/1028508555.db2.gz LOIGHRIGIRDHKH-UHFFFAOYSA-N 1 2 341.411 3.871 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C#N ZINC000179234022 1029160342 /nfs/dbraw/zinc/16/03/42/1029160342.db2.gz KECBZARLPRFICQ-UHFFFAOYSA-N 1 2 345.786 3.760 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C#N ZINC000179234022 1029160352 /nfs/dbraw/zinc/16/03/52/1029160352.db2.gz KECBZARLPRFICQ-UHFFFAOYSA-N 1 2 345.786 3.760 20 30 EHEDLO Cn1c(C[NH+]2CCC(C)(C#N)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000272483210 1029476939 /nfs/dbraw/zinc/47/69/39/1029476939.db2.gz CLZWMOHKBFERKV-UHFFFAOYSA-N 1 2 336.361 3.718 20 30 EHEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000428677551 1029890597 /nfs/dbraw/zinc/89/05/97/1029890597.db2.gz DYKXYCAMSSIODO-UHFFFAOYSA-N 1 2 334.345 3.746 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000428684520 1029926182 /nfs/dbraw/zinc/92/61/82/1029926182.db2.gz OPYDSZVJSJZJRL-UHFFFAOYSA-N 1 2 349.413 3.723 20 30 EHEDLO C=C[C@H](CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000089486307 1029928960 /nfs/dbraw/zinc/92/89/60/1029928960.db2.gz CIDKZDSHVJQCJH-QGZVFWFLSA-N 1 2 331.419 3.848 20 30 EHEDLO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)CC#N)o2)c([N+](=O)[O-])c1 ZINC000093090800 1030559149 /nfs/dbraw/zinc/55/91/49/1030559149.db2.gz JWBUQGITYSTOKY-LBPRGKRZSA-N 1 2 329.356 3.597 20 30 EHEDLO COc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)CC#N)o2)c([N+](=O)[O-])c1 ZINC000093090800 1030559156 /nfs/dbraw/zinc/55/91/56/1030559156.db2.gz JWBUQGITYSTOKY-LBPRGKRZSA-N 1 2 329.356 3.597 20 30 EHEDLO C=CCC(C)(C)c1noc([C@H]([NH3+])c2ccc(Br)cc2)n1 ZINC000904120737 1031756606 /nfs/dbraw/zinc/75/66/06/1031756606.db2.gz CKLGWAKWFGUDCT-GFCCVEGCSA-N 1 2 336.233 3.734 20 30 EHEDLO CCC(C#N)(CC)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000528140322 1031768123 /nfs/dbraw/zinc/76/81/23/1031768123.db2.gz OYRKWLIWYGMTSH-CYBMUJFWSA-N 1 2 334.489 3.643 20 30 EHEDLO CCC(C#N)(CC)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000528140322 1031768142 /nfs/dbraw/zinc/76/81/42/1031768142.db2.gz OYRKWLIWYGMTSH-CYBMUJFWSA-N 1 2 334.489 3.643 20 30 EHEDLO N#Cc1ccc(Br)c(C[NH+]2CC(Cc3ccoc3)C2)c1 ZINC000898160183 1033359293 /nfs/dbraw/zinc/35/92/93/1033359293.db2.gz UQLSGCMVGUNTCH-UHFFFAOYSA-N 1 2 331.213 3.588 20 30 EHEDLO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)C1 ZINC000594615766 1033479011 /nfs/dbraw/zinc/47/90/11/1033479011.db2.gz QEVNBXMUPZMVLM-NJAFHUGGSA-N 1 2 330.472 3.669 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450400614 1034270930 /nfs/dbraw/zinc/27/09/30/1034270930.db2.gz GSLBQLSRQRFXSS-HZPDHXFCSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450400614 1034270943 /nfs/dbraw/zinc/27/09/43/1034270943.db2.gz GSLBQLSRQRFXSS-HZPDHXFCSA-N 1 2 338.854 3.943 20 30 EHEDLO Cc1cccn2cc(Cc3noc(CC4(C#N)CCCCC4)n3)[nH+]c12 ZINC000596583530 1034303365 /nfs/dbraw/zinc/30/33/65/1034303365.db2.gz QOLUNYHILXHDNT-UHFFFAOYSA-N 1 2 335.411 3.633 20 30 EHEDLO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000450448297 1034350092 /nfs/dbraw/zinc/35/00/92/1034350092.db2.gz ACTUTPLUFMPLBS-VQTJNVASSA-N 1 2 349.434 3.530 20 30 EHEDLO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000450448297 1034350103 /nfs/dbraw/zinc/35/01/03/1034350103.db2.gz ACTUTPLUFMPLBS-VQTJNVASSA-N 1 2 349.434 3.530 20 30 EHEDLO N#CC1(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000597122098 1034549443 /nfs/dbraw/zinc/54/94/43/1034549443.db2.gz VBYFKAMCKPMCDF-UHFFFAOYSA-N 1 2 328.362 3.937 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000597129098 1034551846 /nfs/dbraw/zinc/55/18/46/1034551846.db2.gz IAPYLZQNKPNVAA-HNNXBMFYSA-N 1 2 338.373 3.783 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000597129098 1034551855 /nfs/dbraw/zinc/55/18/55/1034551855.db2.gz IAPYLZQNKPNVAA-HNNXBMFYSA-N 1 2 338.373 3.783 20 30 EHEDLO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000597241755 1034620756 /nfs/dbraw/zinc/62/07/56/1034620756.db2.gz GVCAPQITMXSTCO-BBRMVZONSA-N 1 2 338.373 3.783 20 30 EHEDLO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](CC(F)(F)F)O1 ZINC000597241755 1034620766 /nfs/dbraw/zinc/62/07/66/1034620766.db2.gz GVCAPQITMXSTCO-BBRMVZONSA-N 1 2 338.373 3.783 20 30 EHEDLO CN(C)c1cc[nH+]c(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 ZINC000612347476 1034823125 /nfs/dbraw/zinc/82/31/25/1034823125.db2.gz ZCGJPHBPPLZQGZ-UHFFFAOYSA-N 1 2 335.194 3.578 20 30 EHEDLO C=CCN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431770193 1035454746 /nfs/dbraw/zinc/45/47/46/1035454746.db2.gz DXCHTIJDWKXRJU-UHFFFAOYSA-N 1 2 345.446 3.689 20 30 EHEDLO CCN(CC)c1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000581682431 1035547264 /nfs/dbraw/zinc/54/72/64/1035547264.db2.gz JBLASGAJEBEDKB-UHFFFAOYSA-N 1 2 349.482 3.880 20 30 EHEDLO N#CCN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000102658347 1036248855 /nfs/dbraw/zinc/24/88/55/1036248855.db2.gz YQJZWHMAASOQKS-IBGZPJMESA-N 1 2 325.843 3.571 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000541664219 1036539670 /nfs/dbraw/zinc/53/96/70/1036539670.db2.gz CCZJWBUJMQYTPJ-UHFFFAOYSA-N 1 2 325.225 3.886 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000541664219 1036539678 /nfs/dbraw/zinc/53/96/78/1036539678.db2.gz CCZJWBUJMQYTPJ-UHFFFAOYSA-N 1 2 325.225 3.886 20 30 EHEDLO CC(C)Cc1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000349815701 1036825671 /nfs/dbraw/zinc/82/56/71/1036825671.db2.gz FASJEKFPSRUFRC-UHFFFAOYSA-N 1 2 340.496 3.535 20 30 EHEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC000057872965 1037236254 /nfs/dbraw/zinc/23/62/54/1037236254.db2.gz OAJJLCITSGXJTN-UHFFFAOYSA-N 1 2 328.847 3.629 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(S(C)(=O)=O)s1)CC1CCCCC1 ZINC000414389583 1037250824 /nfs/dbraw/zinc/25/08/24/1037250824.db2.gz RWMXXPTVKQSJDB-UHFFFAOYSA-N 1 2 327.515 3.720 20 30 EHEDLO C=CC[N@H+](Cc1ccc(S(C)(=O)=O)s1)CC1CCCCC1 ZINC000414389583 1037250839 /nfs/dbraw/zinc/25/08/39/1037250839.db2.gz RWMXXPTVKQSJDB-UHFFFAOYSA-N 1 2 327.515 3.720 20 30 EHEDLO COc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cc1C#N ZINC000549408900 1038347541 /nfs/dbraw/zinc/34/75/41/1038347541.db2.gz OXBMMKZKNGYVDW-LJQANCHMSA-N 1 2 328.362 3.777 20 30 EHEDLO COc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)cc1C#N ZINC000549408900 1038347555 /nfs/dbraw/zinc/34/75/55/1038347555.db2.gz OXBMMKZKNGYVDW-LJQANCHMSA-N 1 2 328.362 3.777 20 30 EHEDLO Cc1cccc(C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043358317 1039870386 /nfs/dbraw/zinc/87/03/86/1039870386.db2.gz XUQWZHIGVQKTPS-UHFFFAOYSA-N 1 2 348.450 3.525 20 30 EHEDLO Cc1noc2ncc(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cc12 ZINC000894083125 1040042130 /nfs/dbraw/zinc/04/21/30/1040042130.db2.gz AKESMITVPWWZOB-MOPGFXCFSA-N 1 2 332.407 3.803 20 30 EHEDLO Cc1noc2ncc(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cc12 ZINC000894083125 1040042148 /nfs/dbraw/zinc/04/21/48/1040042148.db2.gz AKESMITVPWWZOB-MOPGFXCFSA-N 1 2 332.407 3.803 20 30 EHEDLO Cc1cc(C)c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c(C)[nH+]1 ZINC001126858865 1040334120 /nfs/dbraw/zinc/33/41/20/1040334120.db2.gz YBNJLMZMSVNJFQ-UHFFFAOYSA-N 1 2 346.352 3.807 20 30 EHEDLO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cn1cccc(C#N)c1=O ZINC000758200133 1040361325 /nfs/dbraw/zinc/36/13/25/1040361325.db2.gz WPYKVYHCYHEXAW-UHFFFAOYSA-N 1 2 336.222 3.506 20 30 EHEDLO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cn1cccc(C#N)c1=O ZINC000758200133 1040361339 /nfs/dbraw/zinc/36/13/39/1040361339.db2.gz WPYKVYHCYHEXAW-UHFFFAOYSA-N 1 2 336.222 3.506 20 30 EHEDLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000571057253 1041169786 /nfs/dbraw/zinc/16/97/86/1041169786.db2.gz MLDVMCXWRHPKOA-HNNXBMFYSA-N 1 2 332.407 3.738 20 30 EHEDLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000571057254 1041170707 /nfs/dbraw/zinc/17/07/07/1041170707.db2.gz MLDVMCXWRHPKOA-OAHLLOKOSA-N 1 2 332.407 3.738 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H](C)COC ZINC000661247411 1042030610 /nfs/dbraw/zinc/03/06/10/1042030610.db2.gz OMWHUGHMAKXIIK-ZDUSSCGKSA-N 1 2 347.484 3.700 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2cc3c(s2)CCCC3)o1)[C@@H](C)COC ZINC000661247411 1042030615 /nfs/dbraw/zinc/03/06/15/1042030615.db2.gz OMWHUGHMAKXIIK-ZDUSSCGKSA-N 1 2 347.484 3.700 20 30 EHEDLO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000344086332 1043225703 /nfs/dbraw/zinc/22/57/03/1043225703.db2.gz BSOSFVPFEKBROQ-IFXJQAMLSA-N 1 2 334.398 3.871 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000154180739 1125700031 /nfs/dbraw/zinc/70/00/31/1125700031.db2.gz GNMQKEJZJVEMIQ-VQTJNVASSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000154180739 1125700037 /nfs/dbraw/zinc/70/00/37/1125700037.db2.gz GNMQKEJZJVEMIQ-VQTJNVASSA-N 1 2 331.419 3.839 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000765056175 1127568389 /nfs/dbraw/zinc/56/83/89/1127568389.db2.gz MHLVLMSCTMEPFB-HUUCEWRRSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@H](C)C[C@H]2CC)c1=S ZINC000765056175 1127568391 /nfs/dbraw/zinc/56/83/91/1127568391.db2.gz MHLVLMSCTMEPFB-HUUCEWRRSA-N 1 2 343.500 3.740 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3sccc3Cl)CC2)cc1 ZINC000338549722 1127798297 /nfs/dbraw/zinc/79/82/97/1127798297.db2.gz VVPFGRIRHXZOFZ-UHFFFAOYSA-N 1 2 331.872 3.591 20 30 EHEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)c2ccccc12 ZINC001212358627 1127961780 /nfs/dbraw/zinc/96/17/80/1127961780.db2.gz VAEIRBHILFMPCT-UHFFFAOYSA-N 1 2 330.391 3.687 20 30 EHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000265691365 1128007768 /nfs/dbraw/zinc/00/77/68/1128007768.db2.gz FNOHAMABEOYVRI-UHFFFAOYSA-N 1 2 347.422 3.959 20 30 EHEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1C#N ZINC001168605505 1128343026 /nfs/dbraw/zinc/34/30/26/1128343026.db2.gz XUEBDPQAYRNSKT-HZPDHXFCSA-N 1 2 343.471 3.696 20 30 EHEDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1C#N ZINC001168605505 1128343030 /nfs/dbraw/zinc/34/30/30/1128343030.db2.gz XUEBDPQAYRNSKT-HZPDHXFCSA-N 1 2 343.471 3.696 20 30 EHEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(Br)c(F)cc1O ZINC000903033647 1128451358 /nfs/dbraw/zinc/45/13/58/1128451358.db2.gz WZCSXPJOSMZYKI-SECBINFHSA-N 1 2 327.197 3.638 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1 ZINC000186414205 1128460177 /nfs/dbraw/zinc/46/01/77/1128460177.db2.gz DPFUPULGVNXECL-AWEZNQCLSA-N 1 2 343.427 3.570 20 30 EHEDLO N#Cc1cc(N2CCC(n3cc[nH+]c3)CC2)nc2ccc(Cl)cc12 ZINC000301285283 1128582297 /nfs/dbraw/zinc/58/22/97/1128582297.db2.gz QJHAWJCKOGKOTJ-UHFFFAOYSA-N 1 2 337.814 3.798 20 30 EHEDLO C[NH+](C)[C@@H](CNc1c(F)cc(C#N)cc1F)c1c(F)cccc1F ZINC000301309817 1128583791 /nfs/dbraw/zinc/58/37/91/1128583791.db2.gz YETJZQAGODAFHO-HNNXBMFYSA-N 1 2 337.320 3.829 20 30 EHEDLO N#Cc1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C(F)(F)F)c1 ZINC000301618866 1128598679 /nfs/dbraw/zinc/59/86/79/1128598679.db2.gz BQMAXCXNHLXRCM-CQSZACIVSA-N 1 2 333.313 3.630 20 30 EHEDLO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060479989 1128733102 /nfs/dbraw/zinc/73/31/02/1128733102.db2.gz NVIUYJNRCMCGJP-ZDUSSCGKSA-N 1 2 344.821 3.629 20 30 EHEDLO Cc1nc(C[NH2+]Cc2cc(C#N)ccc2Br)sc1C ZINC000921803529 1128776243 /nfs/dbraw/zinc/77/62/43/1128776243.db2.gz VKTVHWJBQQKVDX-UHFFFAOYSA-N 1 2 336.258 3.684 20 30 EHEDLO N#Cc1ccc(Br)c(C[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000921856515 1128849412 /nfs/dbraw/zinc/84/94/12/1128849412.db2.gz MEYBBJDMZUOOPI-UHFFFAOYSA-N 1 2 348.269 3.944 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000252799258 1128860140 /nfs/dbraw/zinc/86/01/40/1128860140.db2.gz AIOZFXRHCFQYTB-VLIAUNLRSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000252799258 1128860145 /nfs/dbraw/zinc/86/01/45/1128860145.db2.gz AIOZFXRHCFQYTB-VLIAUNLRSA-N 1 2 340.398 3.668 20 30 EHEDLO C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001660360616 1120107669 /nfs/dbraw/zinc/10/76/69/1120107669.db2.gz ADDYFEPDNFVFCP-JTQLQIEISA-N 1 2 328.637 3.653 20 30 EHEDLO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC001660360616 1120107671 /nfs/dbraw/zinc/10/76/71/1120107671.db2.gz ADDYFEPDNFVFCP-JTQLQIEISA-N 1 2 328.637 3.653 20 30 EHEDLO CC#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944422 1120437126 /nfs/dbraw/zinc/43/71/26/1120437126.db2.gz JAMMDKMXNVPUGW-FUHWJXTLSA-N 1 2 336.838 3.534 20 30 EHEDLO CC#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185944422 1120437129 /nfs/dbraw/zinc/43/71/29/1120437129.db2.gz JAMMDKMXNVPUGW-FUHWJXTLSA-N 1 2 336.838 3.534 20 30 EHEDLO N#CCc1ccccc1Cc1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000762075406 1121093398 /nfs/dbraw/zinc/09/33/98/1121093398.db2.gz JOIMBIGCSGTUTE-UHFFFAOYSA-N 1 2 341.374 3.579 20 30 EHEDLO FC(F)(F)c1cccnc1N=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000915050376 1121144034 /nfs/dbraw/zinc/14/40/34/1121144034.db2.gz MLRONSLELVMCFL-UHFFFAOYSA-N 1 2 331.301 3.732 20 30 EHEDLO CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915923341 1121985707 /nfs/dbraw/zinc/98/57/07/1121985707.db2.gz MQTKBWJXOSXFBQ-UHFFFAOYSA-N 1 2 349.463 3.891 20 30 EHEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2c(F)cccc2N2CCCC2)cc1 ZINC000916244942 1122107998 /nfs/dbraw/zinc/10/79/98/1122107998.db2.gz HKVMZHUEPYFANB-UHFFFAOYSA-N 1 2 328.347 3.780 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccccc2C)CC1 ZINC000544529856 1122398096 /nfs/dbraw/zinc/39/80/96/1122398096.db2.gz SHSIYKOBCGRDSW-OAQYLSRUSA-N 1 2 348.446 3.960 20 30 EHEDLO NC(Cc1ccccc1)=[NH+]OCc1coc(-c2c(F)cccc2F)n1 ZINC000154250629 1122443613 /nfs/dbraw/zinc/44/36/13/1122443613.db2.gz WZRAAEZMBYGBTF-UHFFFAOYSA-N 1 2 343.333 3.651 20 30 EHEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1F)[C@@H]1CCc2ccccc21 ZINC000917117994 1122512549 /nfs/dbraw/zinc/51/25/49/1122512549.db2.gz YOQOWQSUSBUBQR-HXUWFJFHSA-N 1 2 336.410 3.695 20 30 EHEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1F)[C@@H]1CCc2ccccc21 ZINC000917117994 1122512553 /nfs/dbraw/zinc/51/25/53/1122512553.db2.gz YOQOWQSUSBUBQR-HXUWFJFHSA-N 1 2 336.410 3.695 20 30 EHEDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000128210126 1122538231 /nfs/dbraw/zinc/53/82/31/1122538231.db2.gz OOQFGBBGIUFCHN-AWEZNQCLSA-N 1 2 345.830 3.873 20 30 EHEDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000128210126 1122538235 /nfs/dbraw/zinc/53/82/35/1122538235.db2.gz OOQFGBBGIUFCHN-AWEZNQCLSA-N 1 2 345.830 3.873 20 30 EHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000556572238 1123044503 /nfs/dbraw/zinc/04/45/03/1123044503.db2.gz ISVTUKHTUFIECF-UHFFFAOYSA-N 1 2 332.753 3.971 20 30 EHEDLO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000920419346 1123366854 /nfs/dbraw/zinc/36/68/54/1123366854.db2.gz ZCOLNTDDKQGAEO-ZFWWWQNUSA-N 1 2 327.453 3.593 20 30 EHEDLO CC(C)[C@@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000920419346 1123366857 /nfs/dbraw/zinc/36/68/57/1123366857.db2.gz ZCOLNTDDKQGAEO-ZFWWWQNUSA-N 1 2 327.453 3.593 20 30 EHEDLO N#Cc1ccc(-c2ccc(OC(=O)CCCn3cc[nH+]c3)cc2)cc1 ZINC000920924942 1123437293 /nfs/dbraw/zinc/43/72/93/1123437293.db2.gz CVOKFSXAGNIGTH-UHFFFAOYSA-N 1 2 331.375 3.808 20 30 EHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000609376990 1123566424 /nfs/dbraw/zinc/56/64/24/1123566424.db2.gz NQYOHDLPECDYCG-AWEZNQCLSA-N 1 2 328.441 3.554 20 30 EHEDLO Cc1occc1C[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175122254 1123599513 /nfs/dbraw/zinc/59/95/13/1123599513.db2.gz QJOUONXJBQXQER-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO Cc1occc1C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175122254 1123599517 /nfs/dbraw/zinc/59/95/17/1123599517.db2.gz QJOUONXJBQXQER-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO C=CCc1cc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc(OC)c1O ZINC000922520661 1129560608 /nfs/dbraw/zinc/56/06/08/1129560608.db2.gz NLSLMPFJYQSXAG-VQIMIIECSA-N 1 2 343.398 3.691 20 30 EHEDLO OCc1ccc(F)c(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000625173937 1129754546 /nfs/dbraw/zinc/75/45/46/1129754546.db2.gz HITCOMXIUXHRHY-UHFFFAOYSA-N 1 2 345.258 3.635 20 30 EHEDLO OCc1ccc(F)c(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000625173937 1129754549 /nfs/dbraw/zinc/75/45/49/1129754549.db2.gz HITCOMXIUXHRHY-UHFFFAOYSA-N 1 2 345.258 3.635 20 30 EHEDLO CC1(C)OCc2cc(C=NNc3cc[nH+]c4ccccc34)ccc2O1 ZINC000766022776 1129817513 /nfs/dbraw/zinc/81/75/13/1129817513.db2.gz UNXXDSAUXHRPDI-UHFFFAOYSA-N 1 2 333.391 3.748 20 30 EHEDLO C[C@H]([NH2+]Cc1cc(COC(C)(C)C)on1)c1ccc(OCC#N)cc1 ZINC000186819482 1129847617 /nfs/dbraw/zinc/84/76/17/1129847617.db2.gz XVGJPJYYONKYDF-AWEZNQCLSA-N 1 2 343.427 3.743 20 30 EHEDLO CC(C)[NH+]1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000429215410 1129984078 /nfs/dbraw/zinc/98/40/78/1129984078.db2.gz PHDQTACBZCRAPB-UHFFFAOYSA-N 1 2 342.668 3.505 20 30 EHEDLO CCC(=NNc1cc[nH+]c2ccccc12)c1ccc2c(c1)OCCO2 ZINC000730148052 1130679206 /nfs/dbraw/zinc/67/92/06/1130679206.db2.gz MYUBWIFQROIDAG-UHFFFAOYSA-N 1 2 333.391 3.654 20 30 EHEDLO CCn1c2ccccc2nc1C(C)=NNc1cc[nH+]c2ccccc12 ZINC000741464708 1131605029 /nfs/dbraw/zinc/60/50/29/1131605029.db2.gz SUVJEWPNDXURBL-UHFFFAOYSA-N 1 2 329.407 3.862 20 30 EHEDLO COc1cc(C)cc2c1OC/C(=C\c1c[nH+]c3c(C)cccn13)C2=O ZINC000741467094 1131606077 /nfs/dbraw/zinc/60/60/77/1131606077.db2.gz FVMWUYNDGOBKJP-NTEUORMPSA-N 1 2 334.375 3.618 20 30 EHEDLO CC(=O)Nc1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC001212697517 1131936974 /nfs/dbraw/zinc/93/69/74/1131936974.db2.gz CRISTEKKOXSLLX-UHFFFAOYSA-N 1 2 331.379 3.505 20 30 EHEDLO C#CC[C@H]([NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1)C(=O)OC ZINC001173211079 1132014001 /nfs/dbraw/zinc/01/40/01/1132014001.db2.gz PBPPAKVGLRCDHH-UWJYYQICSA-N 1 2 335.447 3.752 20 30 EHEDLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173334724 1132051243 /nfs/dbraw/zinc/05/12/43/1132051243.db2.gz WGEUYQRQQPHYEB-UYJHFMRCSA-N 1 2 348.874 3.876 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H]3CC4(CO3)CCCCC4)CCO2)c1 ZINC001168902093 1132589536 /nfs/dbraw/zinc/58/95/36/1132589536.db2.gz FTAWVPHDJBSINZ-VQTJNVASSA-N 1 2 340.467 3.671 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H]3CC4(CO3)CCCCC4)CCO2)c1 ZINC001168902093 1132589542 /nfs/dbraw/zinc/58/95/42/1132589542.db2.gz FTAWVPHDJBSINZ-VQTJNVASSA-N 1 2 340.467 3.671 20 30 EHEDLO Cc1c(C#N)c(NCCc2cn3ccccc3[nH+]2)nc2ccccc12 ZINC001169002943 1132628402 /nfs/dbraw/zinc/62/84/02/1132628402.db2.gz UVUMNRDRNAVHMW-UHFFFAOYSA-N 1 2 327.391 3.717 20 30 EHEDLO C#Cc1cccc(N(CC)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000103101511 1132682746 /nfs/dbraw/zinc/68/27/46/1132682746.db2.gz IOLZKOSHANWKAF-UHFFFAOYSA-N 1 2 329.403 3.579 20 30 EHEDLO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000769514435 1133307171 /nfs/dbraw/zinc/30/71/71/1133307171.db2.gz MZBNGJQHTGDPGN-DNVCBOLYSA-N 1 2 327.449 3.722 20 30 EHEDLO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000769514435 1133307176 /nfs/dbraw/zinc/30/71/76/1133307176.db2.gz MZBNGJQHTGDPGN-DNVCBOLYSA-N 1 2 327.449 3.722 20 30 EHEDLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000770390864 1133421083 /nfs/dbraw/zinc/42/10/83/1133421083.db2.gz LVYLTFDERAPVHC-OAQYLSRUSA-N 1 2 348.446 3.845 20 30 EHEDLO CC1(C)Cc2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc2O1 ZINC000770390864 1133421086 /nfs/dbraw/zinc/42/10/86/1133421086.db2.gz LVYLTFDERAPVHC-OAQYLSRUSA-N 1 2 348.446 3.845 20 30 EHEDLO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000772347287 1133677240 /nfs/dbraw/zinc/67/72/40/1133677240.db2.gz QGCJKAKIKQHRDC-MGPQQGTHSA-N 1 2 327.453 3.735 20 30 EHEDLO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000772347287 1133677241 /nfs/dbraw/zinc/67/72/41/1133677241.db2.gz QGCJKAKIKQHRDC-MGPQQGTHSA-N 1 2 327.453 3.735 20 30 EHEDLO CC(=[NH+]OCc1cccnc1)c1ccc(N2CCOCC2)cc1Cl ZINC000746587089 1133853803 /nfs/dbraw/zinc/85/38/03/1133853803.db2.gz DBPOVPITLZXKJX-UHFFFAOYSA-N 1 2 345.830 3.512 20 30 EHEDLO C[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678381 1133996020 /nfs/dbraw/zinc/99/60/20/1133996020.db2.gz RCDFFOBEOXHMEC-STQMWFEESA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678381 1133996029 /nfs/dbraw/zinc/99/60/29/1133996029.db2.gz RCDFFOBEOXHMEC-STQMWFEESA-N 1 2 327.453 3.593 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000746690592 1134016159 /nfs/dbraw/zinc/01/61/59/1134016159.db2.gz LGUHIVZGWPXUQZ-XFQAVAEZSA-N 1 2 336.435 3.917 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000746690592 1134016167 /nfs/dbraw/zinc/01/61/67/1134016167.db2.gz LGUHIVZGWPXUQZ-XFQAVAEZSA-N 1 2 336.435 3.917 20 30 EHEDLO COc1cc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000788472316 1134129673 /nfs/dbraw/zinc/12/96/73/1134129673.db2.gz RUNJPAHPUVZFSV-UHFFFAOYSA-N 1 2 326.787 3.980 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3ccccc3F)o2)n1 ZINC000789759263 1134328179 /nfs/dbraw/zinc/32/81/79/1134328179.db2.gz RBYKVMOIPUFRNP-UHFFFAOYSA-N 1 2 337.398 3.938 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3ccccc3F)o2)n1 ZINC000789759263 1134328184 /nfs/dbraw/zinc/32/81/84/1134328184.db2.gz RBYKVMOIPUFRNP-UHFFFAOYSA-N 1 2 337.398 3.938 20 30 EHEDLO CCN(C)c1ccc(C=[NH+]Nc2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000790165163 1134377714 /nfs/dbraw/zinc/37/77/14/1134377714.db2.gz LZSSZSDDVMJMFF-UHFFFAOYSA-N 1 2 347.344 3.874 20 30 EHEDLO CN(C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N)C(=O)OC(C)(C)C ZINC000794381928 1135045546 /nfs/dbraw/zinc/04/55/46/1135045546.db2.gz DIMHIMXUIGCWPO-OAHLLOKOSA-N 1 2 347.434 3.529 20 30 EHEDLO CN(C[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N)C(=O)OC(C)(C)C ZINC000794381928 1135045552 /nfs/dbraw/zinc/04/55/52/1135045552.db2.gz DIMHIMXUIGCWPO-OAHLLOKOSA-N 1 2 347.434 3.529 20 30 EHEDLO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001193965181 1135206714 /nfs/dbraw/zinc/20/67/14/1135206714.db2.gz WVGBCHAEXRYSIA-SFHVURJKSA-N 1 2 334.847 3.909 20 30 EHEDLO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001193965181 1135206720 /nfs/dbraw/zinc/20/67/20/1135206720.db2.gz WVGBCHAEXRYSIA-SFHVURJKSA-N 1 2 334.847 3.909 20 30 EHEDLO CCCCCCCCCOC(=O)NCc1c[nH+]cn1CCOC ZINC001194920248 1135339785 /nfs/dbraw/zinc/33/97/85/1135339785.db2.gz ABSCZRDDODTPGT-UHFFFAOYSA-N 1 2 325.453 3.506 20 30 EHEDLO C#C[C@@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)cc1F ZINC000806290009 1135425671 /nfs/dbraw/zinc/42/56/71/1135425671.db2.gz SDFAQRPSDGCFFC-OAHLLOKOSA-N 1 2 342.761 3.623 20 30 EHEDLO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC[C@H](C(F)(F)F)O1 ZINC001197481680 1135694363 /nfs/dbraw/zinc/69/43/63/1135694363.db2.gz JDOIHOFVAJQJPY-IUODEOHRSA-N 1 2 331.765 3.733 20 30 EHEDLO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@H](C(F)(F)F)O1 ZINC001197481680 1135694369 /nfs/dbraw/zinc/69/43/69/1135694369.db2.gz JDOIHOFVAJQJPY-IUODEOHRSA-N 1 2 331.765 3.733 20 30 EHEDLO C#CC[N@@H+](Cc1nc(N)c2ccccc2n1)[C@@H]1CCCc2ccccc21 ZINC001198103290 1135776297 /nfs/dbraw/zinc/77/62/97/1135776297.db2.gz GTWLZWNTQTXZGU-HXUWFJFHSA-N 1 2 342.446 3.725 20 30 EHEDLO C#CC[N@H+](Cc1nc(N)c2ccccc2n1)[C@@H]1CCCc2ccccc21 ZINC001198103290 1135776300 /nfs/dbraw/zinc/77/63/00/1135776300.db2.gz GTWLZWNTQTXZGU-HXUWFJFHSA-N 1 2 342.446 3.725 20 30 EHEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC001201927883 1136073061 /nfs/dbraw/zinc/07/30/61/1136073061.db2.gz RWMSCCCFOLTUJG-KRWDZBQOSA-N 1 2 340.814 3.520 20 30 EHEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC001201927883 1136073064 /nfs/dbraw/zinc/07/30/64/1136073064.db2.gz RWMSCCCFOLTUJG-KRWDZBQOSA-N 1 2 340.814 3.520 20 30 EHEDLO C[C@]1(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1(Cl)Cl ZINC000828564893 1136082718 /nfs/dbraw/zinc/08/27/18/1136082718.db2.gz XQVAZNZSTGGWMC-LSDHHAIUSA-N 1 2 325.239 3.515 20 30 EHEDLO C[C@]1(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1(Cl)Cl ZINC000828564893 1136082720 /nfs/dbraw/zinc/08/27/20/1136082720.db2.gz XQVAZNZSTGGWMC-LSDHHAIUSA-N 1 2 325.239 3.515 20 30 EHEDLO C#C[C@H]([NH2+][C@H](C)c1csc(-c2ccccc2F)n1)[C@H]1CCCO1 ZINC000812731297 1136238419 /nfs/dbraw/zinc/23/84/19/1136238419.db2.gz JDMXPUNHCBSJNI-ISTRZQFTSA-N 1 2 330.428 3.781 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1oc(CCC)nc1C ZINC000813792437 1136362690 /nfs/dbraw/zinc/36/26/90/1136362690.db2.gz PLSVEEKNBGUWRH-UHFFFAOYSA-N 1 2 332.831 3.891 20 30 EHEDLO C=CC(C)(C)CCOC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000851299263 1136363754 /nfs/dbraw/zinc/36/37/54/1136363754.db2.gz FCZQOAPAZDTHAI-UHFFFAOYSA-N 1 2 336.501 3.809 20 30 EHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCOc2ccccc2)[nH+]1 ZINC001170805147 1136645040 /nfs/dbraw/zinc/64/50/40/1136645040.db2.gz ZOZVNGCVYMCXQZ-NNDWLSIRSA-N 1 2 345.468 3.720 20 30 EHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000776808049 1136686904 /nfs/dbraw/zinc/68/69/04/1136686904.db2.gz WKZOGJAGRSNIDF-UHFFFAOYSA-N 1 2 332.407 3.504 20 30 EHEDLO Nc1ccc2c(c1)C(=[NH+]Nc1cncc(Br)c1)CCCC2 ZINC000817326072 1136793586 /nfs/dbraw/zinc/79/35/86/1136793586.db2.gz LVTFXBNRISEAAW-UHFFFAOYSA-N 1 2 345.244 3.969 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2/Cc3cc(F)c(Cl)cc3C2=O)s1 ZINC000863195032 1137173543 /nfs/dbraw/zinc/17/35/43/1137173543.db2.gz ZKZGBZGRBQCASK-YHYXMXQVSA-N 1 2 336.819 3.820 20 30 EHEDLO COCCCN[NH+]=Cc1sc(Nc2ccc(C)cc2)nc1Cl ZINC000794540115 1137193272 /nfs/dbraw/zinc/19/32/72/1137193272.db2.gz ZAQYWEFZTOOPQY-UHFFFAOYSA-N 1 2 338.864 3.809 20 30 EHEDLO N#Cc1cccc(Cl)c1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC001143726337 1137194266 /nfs/dbraw/zinc/19/42/66/1137194266.db2.gz MSIVHFWTDBLNRH-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO CC(C)c1cccc2c1OC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000794703448 1137236162 /nfs/dbraw/zinc/23/61/62/1137236162.db2.gz SKAWFICGJNLKID-MDWZMJQESA-N 1 2 342.464 3.987 20 30 EHEDLO N#Cc1cncc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC001144083259 1137237583 /nfs/dbraw/zinc/23/75/83/1137237583.db2.gz CUBJFCIWDNRKDW-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO CC[C@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000865291239 1137274873 /nfs/dbraw/zinc/27/48/73/1137274873.db2.gz UTVXBAQCUAMOMM-UONOGXRCSA-N 1 2 327.453 3.737 20 30 EHEDLO CC[C@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000865291239 1137274874 /nfs/dbraw/zinc/27/48/74/1137274874.db2.gz UTVXBAQCUAMOMM-UONOGXRCSA-N 1 2 327.453 3.737 20 30 EHEDLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000846119008 1137334165 /nfs/dbraw/zinc/33/41/65/1137334165.db2.gz VFJRVHDAZFGOEK-RHSMWYFYSA-N 1 2 332.444 3.530 20 30 EHEDLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000846119008 1137334166 /nfs/dbraw/zinc/33/41/66/1137334166.db2.gz VFJRVHDAZFGOEK-RHSMWYFYSA-N 1 2 332.444 3.530 20 30 EHEDLO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866234598 1137337355 /nfs/dbraw/zinc/33/73/55/1137337355.db2.gz OPKSQDYGPSVDNZ-CQSZACIVSA-N 1 2 337.423 3.853 20 30 EHEDLO C[C@@H]([NH2+]CCCCOCCc1ccccc1)c1cccc(C#N)c1O ZINC000866237844 1137337836 /nfs/dbraw/zinc/33/78/36/1137337836.db2.gz KODOPHOBVLDEIF-QGZVFWFLSA-N 1 2 338.451 3.954 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(N2CCCC2=O)cc1 ZINC000866243654 1137338619 /nfs/dbraw/zinc/33/86/19/1137338619.db2.gz SDTJJWLUHYCBCO-HUUCEWRRSA-N 1 2 349.434 3.802 20 30 EHEDLO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1cccc(C#N)c1O ZINC000866261000 1137340397 /nfs/dbraw/zinc/34/03/97/1137340397.db2.gz MFEICABEZIDGKA-GFCCVEGCSA-N 1 2 329.469 3.911 20 30 EHEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171255700 1137373514 /nfs/dbraw/zinc/37/35/14/1137373514.db2.gz CWMPAXQSIWGJFV-QYYYHEGRSA-N 1 2 339.483 3.740 20 30 EHEDLO N#CCCOCC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000339087721 1137436503 /nfs/dbraw/zinc/43/65/03/1137436503.db2.gz OGQXRASBJUZHEO-UHFFFAOYSA-N 1 2 346.475 3.797 20 30 EHEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]c(OCCOC)c1 ZINC001171375703 1137462385 /nfs/dbraw/zinc/46/23/85/1137462385.db2.gz BHALOUXHKWTBLV-OAHLLOKOSA-N 1 2 328.412 3.845 20 30 EHEDLO C=CCc1cc(C[NH2+]Cc2nc(Cl)cs2)cc(OC)c1OC ZINC000877022456 1137667843 /nfs/dbraw/zinc/66/78/43/1137667843.db2.gz VFUWFFRQMHWXHM-UHFFFAOYSA-N 1 2 338.860 3.832 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3scnc3Cl)CC2)c1 ZINC000878055970 1137700824 /nfs/dbraw/zinc/70/08/24/1137700824.db2.gz MUTHTJXSKDMGLA-UHFFFAOYSA-N 1 2 333.844 3.712 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878887342 1137731122 /nfs/dbraw/zinc/73/11/22/1137731122.db2.gz CHMZDHLZBCVXGI-RZUBCFFCSA-N 1 2 347.462 3.859 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878887342 1137731123 /nfs/dbraw/zinc/73/11/23/1137731123.db2.gz CHMZDHLZBCVXGI-RZUBCFFCSA-N 1 2 347.462 3.859 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133156449 1137879476 /nfs/dbraw/zinc/87/94/76/1137879476.db2.gz JQDYYHXJRLWIKK-FNORWQNLSA-N 1 2 327.727 3.792 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C ZINC000348271540 1137891569 /nfs/dbraw/zinc/89/15/69/1137891569.db2.gz GFBUDOHPYUXJPO-DZGCQCFKSA-N 1 2 328.378 3.746 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C ZINC000348271540 1137891570 /nfs/dbraw/zinc/89/15/70/1137891570.db2.gz GFBUDOHPYUXJPO-DZGCQCFKSA-N 1 2 328.378 3.746 20 30 EHEDLO COc1ccccc1C(C)(C)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072607600 1138106530 /nfs/dbraw/zinc/10/65/30/1138106530.db2.gz ZYVHLSBYONDXJI-UHFFFAOYSA-N 1 2 348.406 3.642 20 30 EHEDLO C=CCN1CC[C@@H]([N@@H+](Cc2ccccc2)Cc2ccccc2F)C1=O ZINC000337122857 1138471578 /nfs/dbraw/zinc/47/15/78/1138471578.db2.gz BUEFODBZCZPCOI-HXUWFJFHSA-N 1 2 338.426 3.615 20 30 EHEDLO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)Cc2ccccc2F)C1=O ZINC000337122857 1138471580 /nfs/dbraw/zinc/47/15/80/1138471580.db2.gz BUEFODBZCZPCOI-HXUWFJFHSA-N 1 2 338.426 3.615 20 30 EHEDLO CC[C@](C)([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1nccs1 ZINC000177267629 1139608420 /nfs/dbraw/zinc/60/84/20/1139608420.db2.gz FNLUNPFNIQPUDE-INIZCTEOSA-N 1 2 348.497 3.547 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(F)c1 ZINC000192474122 1140533709 /nfs/dbraw/zinc/53/37/09/1140533709.db2.gz KGRWOICXNYWKOH-UHFFFAOYSA-N 1 2 340.373 3.931 20 30 EHEDLO C=CCC(CC=C)C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000268162427 1140894459 /nfs/dbraw/zinc/89/44/59/1140894459.db2.gz DUTOZVZJSWXUDD-UHFFFAOYSA-N 1 2 341.499 3.915 20 30 EHEDLO CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1(C)C ZINC000328624006 564136994 /nfs/dbraw/zinc/13/69/94/564136994.db2.gz JPAPRZFLFJXPIX-MUIFIZLQSA-N 1 2 331.460 3.835 20 30 EHEDLO N#CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000153293778 1125466755 /nfs/dbraw/zinc/46/67/55/1125466755.db2.gz YTECGIHEDFFVNC-IBGZPJMESA-N 1 2 330.391 3.647 20 30 EHEDLO C=CCC[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1ccccc1 ZINC000188188207 1015675814 /nfs/dbraw/zinc/67/58/14/1015675814.db2.gz CGFQANIRWPOVKU-OAHLLOKOSA-N 1 2 341.480 3.820 20 30 EHEDLO C=CCC[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1ccccc1 ZINC000188188207 1015675817 /nfs/dbraw/zinc/67/58/17/1015675817.db2.gz CGFQANIRWPOVKU-OAHLLOKOSA-N 1 2 341.480 3.820 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000246104891 1015787575 /nfs/dbraw/zinc/78/75/75/1015787575.db2.gz IWFMXFYDSFHQSY-CABCVRRESA-N 1 2 349.525 3.535 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000246104891 1015787583 /nfs/dbraw/zinc/78/75/83/1015787583.db2.gz IWFMXFYDSFHQSY-CABCVRRESA-N 1 2 349.525 3.535 20 30 EHEDLO CC[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1cccc(C#N)c1O ZINC000924660698 1032286036 /nfs/dbraw/zinc/28/60/36/1032286036.db2.gz WLPNTDNCTUDGFR-IBGZPJMESA-N 1 2 340.423 3.530 20 30 EHEDLO N#CC1(F)CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449319750 1032450099 /nfs/dbraw/zinc/45/00/99/1032450099.db2.gz ZRJLYGHDNMZQLU-UHFFFAOYSA-N 1 2 337.370 3.916 20 30 EHEDLO CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602084068 1032619141 /nfs/dbraw/zinc/61/91/41/1032619141.db2.gz PCZGPUNLINGFPH-QFBILLFUSA-N 1 2 338.455 3.952 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451102 1032693363 /nfs/dbraw/zinc/69/33/63/1032693363.db2.gz LJVHKXUUVDXBDX-MRXNPFEDSA-N 1 2 340.373 3.931 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451102 1032693376 /nfs/dbraw/zinc/69/33/76/1032693376.db2.gz LJVHKXUUVDXBDX-MRXNPFEDSA-N 1 2 340.373 3.931 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451101 1032694713 /nfs/dbraw/zinc/69/47/13/1032694713.db2.gz LJVHKXUUVDXBDX-INIZCTEOSA-N 1 2 340.373 3.931 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451101 1032694723 /nfs/dbraw/zinc/69/47/23/1032694723.db2.gz LJVHKXUUVDXBDX-INIZCTEOSA-N 1 2 340.373 3.931 20 30 EHEDLO N#Cc1csc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000594038209 1032856668 /nfs/dbraw/zinc/85/66/68/1032856668.db2.gz MGWKGAYWMQPVRA-UHFFFAOYSA-N 1 2 339.342 3.692 20 30 EHEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000602490615 1032919748 /nfs/dbraw/zinc/91/97/48/1032919748.db2.gz DHCVMLQXGZHLFZ-AWEZNQCLSA-N 1 2 328.391 3.522 20 30 EHEDLO C#Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000933365806 1021414342 /nfs/dbraw/zinc/41/43/42/1021414342.db2.gz IWMIFULBXOZFGV-DYVFJYSZSA-N 1 2 342.830 3.633 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000894871419 1021547514 /nfs/dbraw/zinc/54/75/14/1021547514.db2.gz UKMXPGYDLYKNAI-MRXNPFEDSA-N 1 2 342.240 3.581 20 30 EHEDLO C#C[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccc(Br)cc1 ZINC000894872168 1021553215 /nfs/dbraw/zinc/55/32/15/1021553215.db2.gz ZBYAZJITCJLZBE-SJCJKPOMSA-N 1 2 344.256 3.881 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2CCc3ncsc3C2)ccc1OC ZINC000438348995 1022568846 /nfs/dbraw/zinc/56/88/46/1022568846.db2.gz MCDAOZKNKLQYIE-UHFFFAOYSA-N 1 2 330.453 3.665 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2CCc3ncsc3C2)ccc1OC ZINC000438348995 1022568859 /nfs/dbraw/zinc/56/88/59/1022568859.db2.gz MCDAOZKNKLQYIE-UHFFFAOYSA-N 1 2 330.453 3.665 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(Br)cc1 ZINC000894669455 1022685418 /nfs/dbraw/zinc/68/54/18/1022685418.db2.gz SJYPWBDFIPWTCA-INIZCTEOSA-N 1 2 344.256 3.524 20 30 EHEDLO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330980185 1022726109 /nfs/dbraw/zinc/72/61/09/1022726109.db2.gz VAQLIBYEIMILQO-ZDUSSCGKSA-N 1 2 349.431 3.506 20 30 EHEDLO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330980185 1022726122 /nfs/dbraw/zinc/72/61/22/1022726122.db2.gz VAQLIBYEIMILQO-ZDUSSCGKSA-N 1 2 349.431 3.506 20 30 EHEDLO CCc1cc(OCC(=O)Nc2cccc(C#N)c2)c2ccccc2[nH+]1 ZINC000536427912 1023274603 /nfs/dbraw/zinc/27/46/03/1023274603.db2.gz UCJOVGPFNQZVKU-UHFFFAOYSA-N 1 2 331.375 3.686 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C#N)CC1 ZINC000057878072 1023297392 /nfs/dbraw/zinc/29/73/92/1023297392.db2.gz OJOHNJKFHPDNFV-SNVBAGLBSA-N 1 2 326.227 3.556 20 30 EHEDLO N#CCC1(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000602763003 1033135854 /nfs/dbraw/zinc/13/58/54/1033135854.db2.gz IWJRVZKTDXQYDF-OAHLLOKOSA-N 1 2 335.245 3.516 20 30 EHEDLO N#CCC1(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000602763003 1033135864 /nfs/dbraw/zinc/13/58/64/1033135864.db2.gz IWJRVZKTDXQYDF-OAHLLOKOSA-N 1 2 335.245 3.516 20 30 EHEDLO N#Cc1cccc(C2([NH2+]Cc3ccn(-c4ccc(F)cc4)n3)CC2)c1 ZINC000341910981 1023672033 /nfs/dbraw/zinc/67/20/33/1023672033.db2.gz BZYDQKPFUAXMAL-UHFFFAOYSA-N 1 2 332.382 3.662 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000594008929 1033157685 /nfs/dbraw/zinc/15/76/85/1033157685.db2.gz OFSLZGGYMODMLB-JTQLQIEISA-N 1 2 333.741 3.579 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000329795219 1024197545 /nfs/dbraw/zinc/19/75/45/1024197545.db2.gz GMEUCJCZHPFAOR-ZWKOTPCHSA-N 1 2 342.487 3.654 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329835747 1024214938 /nfs/dbraw/zinc/21/49/38/1024214938.db2.gz UYERMJKQQFLKFK-OKZBNKHCSA-N 1 2 342.487 3.654 20 30 EHEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C[C@H]1n1cc[nH+]c1 ZINC000329931731 1024253839 /nfs/dbraw/zinc/25/38/39/1024253839.db2.gz ATPJAHZZVJGRKZ-CWQOZTLDSA-N 1 2 330.476 3.649 20 30 EHEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CSc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000329934533 1024256947 /nfs/dbraw/zinc/25/69/47/1024256947.db2.gz CANRPWCOZVOMFE-FVQBIDKESA-N 1 2 342.468 3.527 20 30 EHEDLO Cc1ccc2c(c1)[C@H](NC(=O)N1CC[C@H](c3[nH+]ccn3C)C1)CCC2 ZINC000330250293 1024372831 /nfs/dbraw/zinc/37/28/31/1024372831.db2.gz GUYLAAWSHGWOLA-FUHWJXTLSA-N 1 2 338.455 3.509 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000550562047 1024383989 /nfs/dbraw/zinc/38/39/89/1024383989.db2.gz OPMJXOZHOKOOEJ-QGZVFWFLSA-N 1 2 348.512 3.650 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000550562047 1024384007 /nfs/dbraw/zinc/38/40/07/1024384007.db2.gz OPMJXOZHOKOOEJ-QGZVFWFLSA-N 1 2 348.512 3.650 20 30 EHEDLO CC#CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190783880 1024527877 /nfs/dbraw/zinc/52/78/77/1024527877.db2.gz KZASJXYSIADZGC-CQSZACIVSA-N 1 2 346.228 3.659 20 30 EHEDLO CC#CC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000190783880 1024527886 /nfs/dbraw/zinc/52/78/86/1024527886.db2.gz KZASJXYSIADZGC-CQSZACIVSA-N 1 2 346.228 3.659 20 30 EHEDLO Cc1cc(Br)cn2c(CN(C[C@H](C)C#N)C3CC3)c[nH+]c12 ZINC000346230521 1024544846 /nfs/dbraw/zinc/54/48/46/1024544846.db2.gz WIGHBGVUDCLNBT-LLVKDONJSA-N 1 2 347.260 3.529 20 30 EHEDLO C[NH+](C)Cc1csc(CNc2cc(C#N)ccc2C(F)(F)F)n1 ZINC000895484763 1024562047 /nfs/dbraw/zinc/56/20/47/1024562047.db2.gz WUMNCAAPSPSWNM-UHFFFAOYSA-N 1 2 340.374 3.707 20 30 EHEDLO Cc1cc(F)ccc1N(Cc1c[nH+]cn1C)Cc1cccc(C#N)c1 ZINC000435052932 1024580855 /nfs/dbraw/zinc/58/08/55/1024580855.db2.gz YZWZRLRBQRHFIH-UHFFFAOYSA-N 1 2 334.398 3.946 20 30 EHEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1F ZINC000323026527 1024617534 /nfs/dbraw/zinc/61/75/34/1024617534.db2.gz UJKUFFSIXYKDPU-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO CC[C@H](C#N)Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000127001340 1024750624 /nfs/dbraw/zinc/75/06/24/1024750624.db2.gz YAYMMZYDCJYVHF-SMDDNHRTSA-N 1 2 349.891 3.938 20 30 EHEDLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CC1(CC#N)CC1 ZINC000602883389 1033233714 /nfs/dbraw/zinc/23/37/14/1033233714.db2.gz HUONWDRZCXJVHB-CJNGLKHVSA-N 1 2 349.272 3.905 20 30 EHEDLO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CC1(CC#N)CC1 ZINC000602883389 1033233727 /nfs/dbraw/zinc/23/37/27/1033233727.db2.gz HUONWDRZCXJVHB-CJNGLKHVSA-N 1 2 349.272 3.905 20 30 EHEDLO C=C(C)CN(CC)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442246273 1025224562 /nfs/dbraw/zinc/22/45/62/1025224562.db2.gz ZTEHAYACNXIODC-LJQANCHMSA-N 1 2 340.471 3.849 20 30 EHEDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)ccc1C#N ZINC000442883670 1025565171 /nfs/dbraw/zinc/56/51/71/1025565171.db2.gz IAVPTJKKIUIWJE-FQEVSTJZSA-N 1 2 340.398 3.588 20 30 EHEDLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)ccc1C#N ZINC000442883670 1025565183 /nfs/dbraw/zinc/56/51/83/1025565183.db2.gz IAVPTJKKIUIWJE-FQEVSTJZSA-N 1 2 340.398 3.588 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccncc1F ZINC000347143655 1025567283 /nfs/dbraw/zinc/56/72/83/1025567283.db2.gz AFKLWLXTPLEGAZ-JTQLQIEISA-N 1 2 334.192 3.706 20 30 EHEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000505839287 1025811876 /nfs/dbraw/zinc/81/18/76/1025811876.db2.gz QZQHFMYOMICFNP-QGZVFWFLSA-N 1 2 336.782 3.520 20 30 EHEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)nc2ccccc12 ZINC000522903253 1025932156 /nfs/dbraw/zinc/93/21/56/1025932156.db2.gz BGJXUZLMHCOMQE-UHFFFAOYSA-N 1 2 343.434 3.526 20 30 EHEDLO N#Cc1csc(C[N@H+]2CCC[C@H](CNc3ccc(Cl)cc3)C2)n1 ZINC000896733530 1025938069 /nfs/dbraw/zinc/93/80/69/1025938069.db2.gz SGEUSCSZHIYISX-CYBMUJFWSA-N 1 2 346.887 3.992 20 30 EHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](CNc3ccc(Cl)cc3)C2)n1 ZINC000896733530 1025938073 /nfs/dbraw/zinc/93/80/73/1025938073.db2.gz SGEUSCSZHIYISX-CYBMUJFWSA-N 1 2 346.887 3.992 20 30 EHEDLO C=CCCC(C)(C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664257227 1027700512 /nfs/dbraw/zinc/70/05/12/1027700512.db2.gz WWYKYIRSEVKBDC-KRWDZBQOSA-N 1 2 340.471 3.748 20 30 EHEDLO C=CCCC(C)(C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664257228 1027700800 /nfs/dbraw/zinc/70/08/00/1027700800.db2.gz WWYKYIRSEVKBDC-QGZVFWFLSA-N 1 2 340.471 3.748 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)c1 ZINC000054292294 1027865085 /nfs/dbraw/zinc/86/50/85/1027865085.db2.gz ODMHTFRUBDMDGI-UHFFFAOYSA-N 1 2 339.483 3.563 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000523425946 1028294065 /nfs/dbraw/zinc/29/40/65/1028294065.db2.gz LYJGIMMHLWIFAJ-UHFFFAOYSA-N 1 2 326.425 3.924 20 30 EHEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000073982136 1028589247 /nfs/dbraw/zinc/58/92/47/1028589247.db2.gz BVYHNOJYUUMLFN-UHFFFAOYSA-N 1 2 348.362 3.613 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\C[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000255565582 1028654978 /nfs/dbraw/zinc/65/49/78/1028654978.db2.gz AEGKCGZQKSIRKB-GZQZNAIASA-N 1 2 345.424 3.618 20 30 EHEDLO C#CCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245618220 1028930265 /nfs/dbraw/zinc/93/02/65/1028930265.db2.gz VZCXFRDMULUWDM-FUHWJXTLSA-N 1 2 336.838 3.534 20 30 EHEDLO C#CCCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245618220 1028930281 /nfs/dbraw/zinc/93/02/81/1028930281.db2.gz VZCXFRDMULUWDM-FUHWJXTLSA-N 1 2 336.838 3.534 20 30 EHEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000272522357 1029495644 /nfs/dbraw/zinc/49/56/44/1029495644.db2.gz HNKRPOBOKOFYNA-UHFFFAOYSA-N 1 2 333.435 3.918 20 30 EHEDLO CCN(CC)c1ncc(CNc2[nH+]cccc2OCCCC#N)s1 ZINC000162234993 1029516622 /nfs/dbraw/zinc/51/66/22/1029516622.db2.gz UWTOXTOPSXVPPK-UHFFFAOYSA-N 1 2 345.472 3.679 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272592669 1029526223 /nfs/dbraw/zinc/52/62/23/1029526223.db2.gz PQEWALGFWBBPJT-NSHDSACASA-N 1 2 340.254 3.946 20 30 EHEDLO N#CCc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000455703309 1029850599 /nfs/dbraw/zinc/85/05/99/1029850599.db2.gz MHYBNOKRSSXSJA-ZDUSSCGKSA-N 1 2 343.818 3.541 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000428459682 1029860699 /nfs/dbraw/zinc/86/06/99/1029860699.db2.gz ZOPQRNLUICOSCC-OAHLLOKOSA-N 1 2 330.428 3.940 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000428459682 1029860702 /nfs/dbraw/zinc/86/07/02/1029860702.db2.gz ZOPQRNLUICOSCC-OAHLLOKOSA-N 1 2 330.428 3.940 20 30 EHEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(Cl)cc1 ZINC000441184438 1029897209 /nfs/dbraw/zinc/89/72/09/1029897209.db2.gz ZUYQCYQOKKLSIE-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(Cl)cc1 ZINC000441184438 1029897229 /nfs/dbraw/zinc/89/72/29/1029897229.db2.gz ZUYQCYQOKKLSIE-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO Cc1cc(C)c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c(C)[nH+]1 ZINC000448124175 1030753290 /nfs/dbraw/zinc/75/32/90/1030753290.db2.gz HLPHKVDCGJJVLH-UHFFFAOYSA-N 1 2 332.363 3.786 20 30 EHEDLO N#CCc1ccc(C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)cc1 ZINC000483232127 1031062689 /nfs/dbraw/zinc/06/26/89/1031062689.db2.gz GHLKVWKRNHUPJG-INIZCTEOSA-N 1 2 335.234 3.883 20 30 EHEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000484078144 1031444124 /nfs/dbraw/zinc/44/41/24/1031444124.db2.gz MVCGQDONPDDJAI-SFHVURJKSA-N 1 2 326.440 3.768 20 30 EHEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000484078144 1031444133 /nfs/dbraw/zinc/44/41/33/1031444133.db2.gz MVCGQDONPDDJAI-SFHVURJKSA-N 1 2 326.440 3.768 20 30 EHEDLO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000584030974 1031506492 /nfs/dbraw/zinc/50/64/92/1031506492.db2.gz AMKXLRRDPNKWOR-YVEFUNNKSA-N 1 2 330.815 3.604 20 30 EHEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000484577936 1031732796 /nfs/dbraw/zinc/73/27/96/1031732796.db2.gz VYKZWOSEFUVCHK-HXUWFJFHSA-N 1 2 338.451 3.809 20 30 EHEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000484577936 1031732812 /nfs/dbraw/zinc/73/28/12/1031732812.db2.gz VYKZWOSEFUVCHK-HXUWFJFHSA-N 1 2 338.451 3.809 20 30 EHEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000484683364 1031872435 /nfs/dbraw/zinc/87/24/35/1031872435.db2.gz WHTCDBCBDQSBAH-LJQANCHMSA-N 1 2 342.414 3.640 20 30 EHEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000484683364 1031872449 /nfs/dbraw/zinc/87/24/49/1031872449.db2.gz WHTCDBCBDQSBAH-LJQANCHMSA-N 1 2 342.414 3.640 20 30 EHEDLO CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1Br ZINC000343685553 1031922576 /nfs/dbraw/zinc/92/25/76/1031922576.db2.gz VWQFFGQZFWZTMN-UHFFFAOYSA-N 1 2 332.245 3.681 20 30 EHEDLO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1Br ZINC000343685553 1031922587 /nfs/dbraw/zinc/92/25/87/1031922587.db2.gz VWQFFGQZFWZTMN-UHFFFAOYSA-N 1 2 332.245 3.681 20 30 EHEDLO Cc1cc2ncn(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)c2cc1C ZINC000761297986 1033577458 /nfs/dbraw/zinc/57/74/58/1033577458.db2.gz BZJDFXRBQYDZQW-OAQYLSRUSA-N 1 2 346.434 3.556 20 30 EHEDLO Cc1cc2ncn(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)c2cc1C ZINC000761297986 1033577468 /nfs/dbraw/zinc/57/74/68/1033577468.db2.gz BZJDFXRBQYDZQW-OAQYLSRUSA-N 1 2 346.434 3.556 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616615 1033900339 /nfs/dbraw/zinc/90/03/39/1033900339.db2.gz RZXBQLDNWVUPMC-VXGBXAGGSA-N 1 2 340.254 3.946 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616615 1033900354 /nfs/dbraw/zinc/90/03/54/1033900354.db2.gz RZXBQLDNWVUPMC-VXGBXAGGSA-N 1 2 340.254 3.946 20 30 EHEDLO Cc1ccc(-c2nnc(C[NH2+]C(C)(C)c3cccc(C#N)c3)o2)cc1 ZINC000595634362 1033911537 /nfs/dbraw/zinc/91/15/37/1033911537.db2.gz AQXOEOVYOBFBFL-UHFFFAOYSA-N 1 2 332.407 3.942 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000595609754 1033920912 /nfs/dbraw/zinc/92/09/12/1033920912.db2.gz ORKRSCUUAGPDGW-CYBMUJFWSA-N 1 2 342.468 3.803 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000595609754 1033920923 /nfs/dbraw/zinc/92/09/23/1033920923.db2.gz ORKRSCUUAGPDGW-CYBMUJFWSA-N 1 2 342.468 3.803 20 30 EHEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595713161 1033957204 /nfs/dbraw/zinc/95/72/04/1033957204.db2.gz PQADGUUHYLXMQQ-LBPRGKRZSA-N 1 2 326.366 3.962 20 30 EHEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000595713161 1033957218 /nfs/dbraw/zinc/95/72/18/1033957218.db2.gz PQADGUUHYLXMQQ-LBPRGKRZSA-N 1 2 326.366 3.962 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC000604071575 1034197396 /nfs/dbraw/zinc/19/73/96/1034197396.db2.gz HLHRXEZXVXXEGJ-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO C=CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC000604071575 1034197406 /nfs/dbraw/zinc/19/74/06/1034197406.db2.gz HLHRXEZXVXXEGJ-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO Cc1nc(N[C@@H](C)c2ccc(C#N)cc2)c(Br)c(C)[nH+]1 ZINC000323131751 1034230073 /nfs/dbraw/zinc/23/00/73/1034230073.db2.gz YFYKWTUINJHCGS-VIFPVBQESA-N 1 2 331.217 3.901 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2cccc(OC)c2)c1C ZINC000060479569 1034578422 /nfs/dbraw/zinc/57/84/22/1034578422.db2.gz PHTDGIQROQVBPH-UHFFFAOYSA-N 1 2 326.440 3.614 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2cccc(OC)c2)c1C ZINC000060479569 1034578437 /nfs/dbraw/zinc/57/84/37/1034578437.db2.gz PHTDGIQROQVBPH-UHFFFAOYSA-N 1 2 326.440 3.614 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597175340 1034582526 /nfs/dbraw/zinc/58/25/26/1034582526.db2.gz YEZUVVRCIMTBLY-CYBMUJFWSA-N 1 2 342.424 3.844 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597175340 1034582536 /nfs/dbraw/zinc/58/25/36/1034582536.db2.gz YEZUVVRCIMTBLY-CYBMUJFWSA-N 1 2 342.424 3.844 20 30 EHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000597228635 1034610369 /nfs/dbraw/zinc/61/03/69/1034610369.db2.gz FLCMATCHZVMUIN-NRFANRHFSA-N 1 2 334.467 3.961 20 30 EHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000597228635 1034610379 /nfs/dbraw/zinc/61/03/79/1034610379.db2.gz FLCMATCHZVMUIN-NRFANRHFSA-N 1 2 334.467 3.961 20 30 EHEDLO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000612406115 1034897518 /nfs/dbraw/zinc/89/75/18/1034897518.db2.gz IMAGRTPUVNZUHK-SFHVURJKSA-N 1 2 325.368 3.980 20 30 EHEDLO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000612406115 1034897532 /nfs/dbraw/zinc/89/75/32/1034897532.db2.gz IMAGRTPUVNZUHK-SFHVURJKSA-N 1 2 325.368 3.980 20 30 EHEDLO N#Cc1cccc(/C=C/c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000612938477 1035308590 /nfs/dbraw/zinc/30/85/90/1035308590.db2.gz LPMZWCQANJMACH-BQYQJAHWSA-N 1 2 339.358 3.964 20 30 EHEDLO C=CC[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186708086 1035695360 /nfs/dbraw/zinc/69/53/60/1035695360.db2.gz HFIHVJWDLQAKSS-LJQANCHMSA-N 1 2 335.451 3.527 20 30 EHEDLO COC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1F ZINC000588229434 1035830053 /nfs/dbraw/zinc/83/00/53/1035830053.db2.gz HOLKSTNDHKARFB-INIZCTEOSA-N 1 2 336.769 3.967 20 30 EHEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1C#N ZINC000535226404 1036217654 /nfs/dbraw/zinc/21/76/54/1036217654.db2.gz NSEMVFJYLIYJAR-LBPRGKRZSA-N 1 2 344.361 3.816 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccc(F)c(F)c2)c1C#N ZINC000535226404 1036217672 /nfs/dbraw/zinc/21/76/72/1036217672.db2.gz NSEMVFJYLIYJAR-LBPRGKRZSA-N 1 2 344.361 3.816 20 30 EHEDLO Cc1cc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)ccc1C#N ZINC000443995462 1036251104 /nfs/dbraw/zinc/25/11/04/1036251104.db2.gz NIUDCHOAPHZAOV-FQEVSTJZSA-N 1 2 334.398 3.619 20 30 EHEDLO COCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccco1 ZINC000177251863 1036797506 /nfs/dbraw/zinc/79/75/06/1036797506.db2.gz YVTLZHKRPPWDPY-UHFFFAOYSA-N 1 2 337.341 3.799 20 30 EHEDLO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccco1 ZINC000177251863 1036797529 /nfs/dbraw/zinc/79/75/29/1036797529.db2.gz YVTLZHKRPPWDPY-UHFFFAOYSA-N 1 2 337.341 3.799 20 30 EHEDLO CCCOc1ccc(Br)cc1C[NH2+]CC(C)(C)C#N ZINC000168927263 1036864370 /nfs/dbraw/zinc/86/43/70/1036864370.db2.gz DDTLQZUNHYOEEJ-UHFFFAOYSA-N 1 2 325.250 3.877 20 30 EHEDLO N#CCCCn1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c2ccccc21 ZINC000590343010 1036839563 /nfs/dbraw/zinc/83/95/63/1036839563.db2.gz YQHMGBOEQDPQEA-UHFFFAOYSA-N 1 2 343.390 3.845 20 30 EHEDLO Cn1cc(C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000191381523 1036939247 /nfs/dbraw/zinc/93/92/47/1036939247.db2.gz RYRBXXGEHZDWLO-KRWDZBQOSA-N 1 2 331.872 3.840 20 30 EHEDLO Cn1cc(C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000191381523 1036939257 /nfs/dbraw/zinc/93/92/57/1036939257.db2.gz RYRBXXGEHZDWLO-KRWDZBQOSA-N 1 2 331.872 3.840 20 30 EHEDLO C[C@H]1c2c(C#N)c(NC(=O)CCCn3cc[nH+]c3)sc2CC[C@@H]1C ZINC000591003872 1037184934 /nfs/dbraw/zinc/18/49/34/1037184934.db2.gz LCINHGSMRKKVEM-QWHCGFSZSA-N 1 2 342.468 3.921 20 30 EHEDLO Cc1ccnc(N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC000542277632 1037236412 /nfs/dbraw/zinc/23/64/12/1037236412.db2.gz ZBNGXCJOZXOWGS-OAHLLOKOSA-N 1 2 340.858 3.798 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CC3(C#N)CCC3)o2)cc1 ZINC000591357642 1037369873 /nfs/dbraw/zinc/36/98/73/1037369873.db2.gz TUINKYMEHUPWMD-UHFFFAOYSA-N 1 2 338.407 3.907 20 30 EHEDLO C=CCC[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000532495138 1037537745 /nfs/dbraw/zinc/53/77/45/1037537745.db2.gz FKQBPBVYAGHISJ-SFHVURJKSA-N 1 2 326.444 3.670 20 30 EHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000540507295 1038026232 /nfs/dbraw/zinc/02/62/32/1038026232.db2.gz JDZUVFDYIPQVLW-VIFPVBQESA-N 1 2 333.176 3.642 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000540507295 1038026253 /nfs/dbraw/zinc/02/62/53/1038026253.db2.gz JDZUVFDYIPQVLW-VIFPVBQESA-N 1 2 333.176 3.642 20 30 EHEDLO C=CCn1cccc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000489004781 1039554485 /nfs/dbraw/zinc/55/44/85/1039554485.db2.gz BPDZDFFFCQJSMP-LJQANCHMSA-N 1 2 348.450 3.659 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000489399062 1039938495 /nfs/dbraw/zinc/93/84/95/1039938495.db2.gz IHAJJZMXWQLERS-JKSUJKDBSA-N 1 2 343.496 3.917 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000489399062 1039938507 /nfs/dbraw/zinc/93/85/07/1039938507.db2.gz IHAJJZMXWQLERS-JKSUJKDBSA-N 1 2 343.496 3.917 20 30 EHEDLO CCCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000480783350 1040007777 /nfs/dbraw/zinc/00/77/77/1040007777.db2.gz ZXEMPUWUUZINLH-UHFFFAOYSA-N 1 2 347.890 3.873 20 30 EHEDLO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C#N)cc1F ZINC000512614641 1040279970 /nfs/dbraw/zinc/27/99/70/1040279970.db2.gz WRVUJWPSHKUXAU-NSHDSACASA-N 1 2 328.778 3.849 20 30 EHEDLO Cc1cc(NC2CCC(Oc3ccccc3C#N)CC2)nc(C2CC2)[nH+]1 ZINC000341496926 1040297748 /nfs/dbraw/zinc/29/77/48/1040297748.db2.gz IKWDNVUXBOULNK-UHFFFAOYSA-N 1 2 348.450 3.758 20 30 EHEDLO N#CC1(C[NH2+]Cc2ccc(Br)c(F)c2F)CCCC1 ZINC000600172933 1040761633 /nfs/dbraw/zinc/76/16/33/1040761633.db2.gz JMLJYJZSYAGFQN-UHFFFAOYSA-N 1 2 329.188 3.901 20 30 EHEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000029632986 1040787996 /nfs/dbraw/zinc/78/79/96/1040787996.db2.gz NEERTAOJLFYXCX-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000570941035 1041119928 /nfs/dbraw/zinc/11/99/28/1041119928.db2.gz ZHNPNYDQCKXYRY-KOLCDFICSA-N 1 2 347.768 3.968 20 30 EHEDLO CC1(C#N)CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000408241685 1042839324 /nfs/dbraw/zinc/83/93/24/1042839324.db2.gz ZQRJTZWBYRTVKR-UHFFFAOYSA-N 1 2 334.217 3.716 20 30 EHEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000432554083 1044195644 /nfs/dbraw/zinc/19/56/44/1044195644.db2.gz BPCPTUASTSFCEH-OAHLLOKOSA-N 1 2 335.517 3.739 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CCC3)o2)c1 ZINC000072597791 1126793306 /nfs/dbraw/zinc/79/33/06/1126793306.db2.gz DVEFEGCUCIFOCZ-UHFFFAOYSA-N 1 2 348.381 3.916 20 30 EHEDLO Cc1cccc(CN[NH+]=Cc2sc(N3CCCC3)nc2Cl)c1 ZINC000764716196 1127525576 /nfs/dbraw/zinc/52/55/76/1127525576.db2.gz VIIDVLYAFKOZLA-UHFFFAOYSA-N 1 2 334.876 3.829 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCCCC[C@H]2C)c1=S ZINC000765011564 1127562383 /nfs/dbraw/zinc/56/23/83/1127562383.db2.gz JTTFABOAYFOKBC-OAHLLOKOSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCCCC[C@H]2C)c1=S ZINC000765011564 1127562385 /nfs/dbraw/zinc/56/23/85/1127562385.db2.gz JTTFABOAYFOKBC-OAHLLOKOSA-N 1 2 343.500 3.884 20 30 EHEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1C(F)(F)F ZINC001212358418 1127960598 /nfs/dbraw/zinc/96/05/98/1127960598.db2.gz JUJMLHAUGUBITR-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO C#CCN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CCCc2ccccc21 ZINC001670977987 1128404259 /nfs/dbraw/zinc/40/42/59/1128404259.db2.gz XBSXNKQMLBCGTD-LJQANCHMSA-N 1 2 344.418 3.879 20 30 EHEDLO CC(C)[C@H]([NH2+]Cc1csc(C#N)c1)c1nc(-c2ccncc2)no1 ZINC000921668414 1128447859 /nfs/dbraw/zinc/44/78/59/1128447859.db2.gz ZBFDKZVXOCKMPE-HNNXBMFYSA-N 1 2 339.424 3.552 20 30 EHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC000091101222 1128449974 /nfs/dbraw/zinc/44/99/74/1128449974.db2.gz IITPGOXPMYZSGG-UHFFFAOYSA-N 1 2 344.418 3.518 20 30 EHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000301092833 1128572764 /nfs/dbraw/zinc/57/27/64/1128572764.db2.gz PNBBBNWWZBXABV-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000301367105 1128587635 /nfs/dbraw/zinc/58/76/35/1128587635.db2.gz OHGXAUVNZFHCOR-SFHVURJKSA-N 1 2 342.393 3.505 20 30 EHEDLO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1cccc(C#N)c1 ZINC000301466092 1128592782 /nfs/dbraw/zinc/59/27/82/1128592782.db2.gz XMATXLYWZVKYOK-CQSZACIVSA-N 1 2 340.390 3.860 20 30 EHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000301477254 1128592964 /nfs/dbraw/zinc/59/29/64/1128592964.db2.gz XAERTUKYQOKQCX-GOSISDBHSA-N 1 2 342.393 3.505 20 30 EHEDLO CC(=O)c1ccc(C#N)cc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000302110166 1128620040 /nfs/dbraw/zinc/62/00/40/1128620040.db2.gz PFGDNTJYUSRZRS-UHFFFAOYSA-N 1 2 334.354 3.698 20 30 EHEDLO COc1cccc(NC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1 ZINC000111304714 1128858013 /nfs/dbraw/zinc/85/80/13/1128858013.db2.gz XVGFMCZKVCCJCH-UHFFFAOYSA-N 1 2 339.414 3.782 20 30 EHEDLO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000189978509 1120619460 /nfs/dbraw/zinc/61/94/60/1120619460.db2.gz QEWXSWUOVCYBLX-RYUDHWBXSA-N 1 2 336.233 3.552 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3ccc(Cl)cc3)CCO2)c1 ZINC000761759502 1120887041 /nfs/dbraw/zinc/88/70/41/1120887041.db2.gz XXGBXXSABCOMIF-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CCO2)c1 ZINC000761759502 1120887043 /nfs/dbraw/zinc/88/70/43/1120887043.db2.gz XXGBXXSABCOMIF-LJQANCHMSA-N 1 2 342.826 3.664 20 30 EHEDLO Clc1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c(Cl)c1 ZINC000914773478 1120981909 /nfs/dbraw/zinc/98/19/09/1120981909.db2.gz VJVAWDYRKVUKDO-UHFFFAOYSA-N 1 2 336.226 3.830 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+](C)CC2CC2)c1=S ZINC000153573173 1121347946 /nfs/dbraw/zinc/34/79/46/1121347946.db2.gz FRGUOEFDWRHNGD-UHFFFAOYSA-N 1 2 344.484 3.575 20 30 EHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000153573173 1121347953 /nfs/dbraw/zinc/34/79/53/1121347953.db2.gz FRGUOEFDWRHNGD-UHFFFAOYSA-N 1 2 344.484 3.575 20 30 EHEDLO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193766196 1121625507 /nfs/dbraw/zinc/62/55/07/1121625507.db2.gz NVIUYJNRCMCGJP-CYBMUJFWSA-N 1 2 344.821 3.629 20 30 EHEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2cccc3ncccc32)CCO1 ZINC000915964275 1122009193 /nfs/dbraw/zinc/00/91/93/1122009193.db2.gz ZHHWNYCDVVDHQR-MRXNPFEDSA-N 1 2 346.434 3.906 20 30 EHEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2cccc3ncccc32)CCO1 ZINC000915964274 1122009275 /nfs/dbraw/zinc/00/92/75/1122009275.db2.gz ZHHWNYCDVVDHQR-INIZCTEOSA-N 1 2 346.434 3.906 20 30 EHEDLO C[C@@H]1CCN(c2ccc(Br)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000272779970 1122224643 /nfs/dbraw/zinc/22/46/43/1122224643.db2.gz AACIPZKMBMEEAG-WBMJQRKESA-N 1 2 345.244 3.605 20 30 EHEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Cl)cc2Cl)cc1 ZINC000917401919 1122597022 /nfs/dbraw/zinc/59/70/22/1122597022.db2.gz HBTMHCSVFUYOTK-UHFFFAOYSA-N 1 2 325.195 3.839 20 30 EHEDLO C=CCc1cc(C[N@@H+]2CCc3cccc(F)c3C2)cc(OC)c1O ZINC000556891410 1123176418 /nfs/dbraw/zinc/17/64/18/1123176418.db2.gz DRTVNILIRVBRQH-UHFFFAOYSA-N 1 2 327.399 3.827 20 30 EHEDLO C=CCc1cc(C[N@H+]2CCc3cccc(F)c3C2)cc(OC)c1O ZINC000556891410 1123176421 /nfs/dbraw/zinc/17/64/21/1123176421.db2.gz DRTVNILIRVBRQH-UHFFFAOYSA-N 1 2 327.399 3.827 20 30 EHEDLO CCOc1ccc(C(C)=O)cc1CO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000920401338 1123363809 /nfs/dbraw/zinc/36/38/09/1123363809.db2.gz QWHHNDXFDQMZAE-UHFFFAOYSA-N 1 2 344.386 3.573 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616782011 1124032372 /nfs/dbraw/zinc/03/23/72/1124032372.db2.gz RTOKATMUCHGOFI-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616782011 1124032377 /nfs/dbraw/zinc/03/23/77/1124032377.db2.gz RTOKATMUCHGOFI-AWEZNQCLSA-N 1 2 327.378 3.547 20 30 EHEDLO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000449808406 1125034077 /nfs/dbraw/zinc/03/40/77/1125034077.db2.gz ZHYBICMCVLFEHY-UHFFFAOYSA-N 1 2 328.456 3.594 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1 ZINC000922526663 1129562517 /nfs/dbraw/zinc/56/25/17/1129562517.db2.gz SYAPYFSLZCXCGS-OMWUSAIZSA-N 1 2 326.371 3.539 20 30 EHEDLO N#Cc1csc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000093532614 1129592964 /nfs/dbraw/zinc/59/29/64/1129592964.db2.gz PKVJIDMQRZAOOF-UHFFFAOYSA-N 1 2 328.281 3.936 20 30 EHEDLO N#Cc1csc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000093532614 1129592967 /nfs/dbraw/zinc/59/29/67/1129592967.db2.gz PKVJIDMQRZAOOF-UHFFFAOYSA-N 1 2 328.281 3.936 20 30 EHEDLO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccoc1 ZINC000673752577 1129828004 /nfs/dbraw/zinc/82/80/04/1129828004.db2.gz AVZODSFHVUKBHG-UHFFFAOYSA-N 1 2 335.407 3.853 20 30 EHEDLO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccoc1 ZINC000673752577 1129828011 /nfs/dbraw/zinc/82/80/11/1129828011.db2.gz AVZODSFHVUKBHG-UHFFFAOYSA-N 1 2 335.407 3.853 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3cccc(F)c3)C3CC3)o2)c1 ZINC000075642073 1129854640 /nfs/dbraw/zinc/85/46/40/1129854640.db2.gz DYCLMTKASYYNTE-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3cccc(F)c3)C3CC3)o2)c1 ZINC000075642073 1129854647 /nfs/dbraw/zinc/85/46/47/1129854647.db2.gz DYCLMTKASYYNTE-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173366274 1130219582 /nfs/dbraw/zinc/21/95/82/1130219582.db2.gz PQSPMMWRULVPCO-ZDUSSCGKSA-N 1 2 334.379 3.507 20 30 EHEDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173366274 1130219585 /nfs/dbraw/zinc/21/95/85/1130219585.db2.gz PQSPMMWRULVPCO-ZDUSSCGKSA-N 1 2 334.379 3.507 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000732094397 1130884606 /nfs/dbraw/zinc/88/46/06/1130884606.db2.gz VPSUCACLIXAISK-IBGZPJMESA-N 1 2 336.460 3.874 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000732094397 1130884612 /nfs/dbraw/zinc/88/46/12/1130884612.db2.gz VPSUCACLIXAISK-IBGZPJMESA-N 1 2 336.460 3.874 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCCCC[C@@H]2C)c1=S ZINC000738227477 1131464193 /nfs/dbraw/zinc/46/41/93/1131464193.db2.gz VOEHMFCHWPHUHN-HNNXBMFYSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCCCC[C@@H]2C)c1=S ZINC000738227477 1131464196 /nfs/dbraw/zinc/46/41/96/1131464196.db2.gz VOEHMFCHWPHUHN-HNNXBMFYSA-N 1 2 343.500 3.884 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000742131967 1131688931 /nfs/dbraw/zinc/68/89/31/1131688931.db2.gz ANGDOHFWHOUMGZ-SFHVURJKSA-N 1 2 349.434 3.527 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000742131967 1131688933 /nfs/dbraw/zinc/68/89/33/1131688933.db2.gz ANGDOHFWHOUMGZ-SFHVURJKSA-N 1 2 349.434 3.527 20 30 EHEDLO CC(=[NH+]Nc1ccc(Cl)nc1)c1c(F)cccc1N1CCOCC1 ZINC000743450268 1131920208 /nfs/dbraw/zinc/92/02/08/1131920208.db2.gz OHYYFIRHILMSFJ-UHFFFAOYSA-N 1 2 348.809 3.547 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C2CCCC2)CC1 ZINC000744412073 1132091183 /nfs/dbraw/zinc/09/11/83/1132091183.db2.gz NCLMGCURRXQUGM-LJQANCHMSA-N 1 2 326.440 3.675 20 30 EHEDLO CCOC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591153 1132097192 /nfs/dbraw/zinc/09/71/92/1132097192.db2.gz URTQVMRTIDKUAN-HFCFLWKCSA-N 1 2 348.874 3.876 20 30 EHEDLO CC1(C#N)CCC(N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001173597051 1132100509 /nfs/dbraw/zinc/10/05/09/1132100509.db2.gz KHUBSCMGWSYJBR-CGZBRXJRSA-N 1 2 325.447 3.654 20 30 EHEDLO CC1(C#N)CCC([N@@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173597051 1132100512 /nfs/dbraw/zinc/10/05/12/1132100512.db2.gz KHUBSCMGWSYJBR-CGZBRXJRSA-N 1 2 325.447 3.654 20 30 EHEDLO CC1(C#N)CCC([N@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173597051 1132100514 /nfs/dbraw/zinc/10/05/14/1132100514.db2.gz KHUBSCMGWSYJBR-CGZBRXJRSA-N 1 2 325.447 3.654 20 30 EHEDLO C#CC[N@@H+](Cc1noc(-c2ccc(OC)cc2)n1)C1CCCCC1 ZINC000744739082 1132145025 /nfs/dbraw/zinc/14/50/25/1132145025.db2.gz FOATWGUBYDMMOQ-UHFFFAOYSA-N 1 2 325.412 3.513 20 30 EHEDLO C#CC[N@H+](Cc1noc(-c2ccc(OC)cc2)n1)C1CCCCC1 ZINC000744739082 1132145028 /nfs/dbraw/zinc/14/50/28/1132145028.db2.gz FOATWGUBYDMMOQ-UHFFFAOYSA-N 1 2 325.412 3.513 20 30 EHEDLO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174980218 1132533744 /nfs/dbraw/zinc/53/37/44/1132533744.db2.gz YCNMMVLAMHKBJS-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1Nc1cc(F)cc(C#N)c1 ZINC001175682513 1132737421 /nfs/dbraw/zinc/73/74/21/1132737421.db2.gz OWASCSGIDNFJHU-UHFFFAOYSA-N 1 2 337.358 3.593 20 30 EHEDLO CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000769218020 1133245534 /nfs/dbraw/zinc/24/55/34/1133245534.db2.gz SOWZRZMBDLHUPH-HXUWFJFHSA-N 1 2 344.455 3.646 20 30 EHEDLO CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000769218020 1133245541 /nfs/dbraw/zinc/24/55/41/1133245541.db2.gz SOWZRZMBDLHUPH-HXUWFJFHSA-N 1 2 344.455 3.646 20 30 EHEDLO C[C@H](C#N)C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)C1CC1 ZINC000769217966 1133246282 /nfs/dbraw/zinc/24/62/82/1133246282.db2.gz QLDUQLOTSQLSLF-OAHLLOKOSA-N 1 2 344.455 3.645 20 30 EHEDLO C[C@H](C#N)C[N@@H+](CCOc1ccccc1C(=O)OC(C)(C)C)C1CC1 ZINC000769217966 1133246284 /nfs/dbraw/zinc/24/62/84/1133246284.db2.gz QLDUQLOTSQLSLF-OAHLLOKOSA-N 1 2 344.455 3.645 20 30 EHEDLO O=C1c2cc(Br)ccc2O/C1=C\c1cccc2[nH+]ccn21 ZINC000769610030 1133321454 /nfs/dbraw/zinc/32/14/54/1133321454.db2.gz MMODCZMFTYAMFC-ZROIWOOFSA-N 1 2 341.164 3.713 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)C[C@@H](C)Sc2ccc(Cl)cc2)CC1 ZINC001181767046 1133524482 /nfs/dbraw/zinc/52/44/82/1133524482.db2.gz NXWABJUCMDCRRU-CQSZACIVSA-N 1 2 338.904 3.541 20 30 EHEDLO Cn1cc(C=NNc2cc[nH+]c3ccccc23)c(-c2ccccc2)n1 ZINC000771560419 1133575330 /nfs/dbraw/zinc/57/53/30/1133575330.db2.gz PVFLXHNWJXLVRO-UHFFFAOYSA-N 1 2 327.391 3.503 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)Nc1cccc(C#N)n1)c1ccccc1Cl ZINC001182217623 1133597439 /nfs/dbraw/zinc/59/74/39/1133597439.db2.gz BJEPIIUCSWLQOE-KRWDZBQOSA-N 1 2 342.830 3.628 20 30 EHEDLO CCCCN(CC#N)C(=O)[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001182219816 1133598838 /nfs/dbraw/zinc/59/88/38/1133598838.db2.gz CABMOHYVSCGAMB-KRWDZBQOSA-N 1 2 335.879 3.875 20 30 EHEDLO C=C(C)[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(F)c(F)c1 ZINC000774540362 1133726087 /nfs/dbraw/zinc/72/60/87/1133726087.db2.gz NMQDBPIFFMRMKS-KRWDZBQOSA-N 1 2 327.334 3.660 20 30 EHEDLO CCCC#CC(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001184277061 1133921524 /nfs/dbraw/zinc/92/15/24/1133921524.db2.gz YMFQSULCQLWRTL-OAHLLOKOSA-N 1 2 327.255 3.516 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000746637157 1133954125 /nfs/dbraw/zinc/95/41/25/1133954125.db2.gz NRTGZHSUNMIBCQ-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000746637157 1133954128 /nfs/dbraw/zinc/95/41/28/1133954128.db2.gz NRTGZHSUNMIBCQ-UHFFFAOYSA-N 1 2 343.500 3.742 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2ccccc2C#N)C1 ZINC000787994138 1134062437 /nfs/dbraw/zinc/06/24/37/1134062437.db2.gz COUYKGSGPVILFT-FQEVSTJZSA-N 1 2 341.455 3.534 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2ccccc2C#N)C1 ZINC000787994138 1134062444 /nfs/dbraw/zinc/06/24/44/1134062444.db2.gz COUYKGSGPVILFT-FQEVSTJZSA-N 1 2 341.455 3.534 20 30 EHEDLO N#Cc1c(F)cc(Nc2ccc3[nH+]cc(Br)n3c2)cc1F ZINC001203668972 1134388192 /nfs/dbraw/zinc/38/81/92/1134388192.db2.gz UOFFYYFMCKOGTP-UHFFFAOYSA-N 1 2 349.138 3.990 20 30 EHEDLO CCCCCCCCS(=O)(=O)Nc1c(C)[nH+]c2ccc(F)cn21 ZINC001188001923 1134411025 /nfs/dbraw/zinc/41/10/25/1134411025.db2.gz UOVSHWVADGPGEJ-UHFFFAOYSA-N 1 2 341.452 3.884 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000121366405 1134573043 /nfs/dbraw/zinc/57/30/43/1134573043.db2.gz BESJQFYQVTXTKO-AWEZNQCLSA-N 1 2 336.370 3.914 20 30 EHEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000793041997 1134841241 /nfs/dbraw/zinc/84/12/41/1134841241.db2.gz DFODKTRVCOOXDW-IBGZPJMESA-N 1 2 330.391 3.636 20 30 EHEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000793041997 1134841249 /nfs/dbraw/zinc/84/12/49/1134841249.db2.gz DFODKTRVCOOXDW-IBGZPJMESA-N 1 2 330.391 3.636 20 30 EHEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001191374603 1134859688 /nfs/dbraw/zinc/85/96/88/1134859688.db2.gz IKPBROHTSVWUTE-MRXNPFEDSA-N 1 2 342.266 3.976 20 30 EHEDLO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001192949785 1135075521 /nfs/dbraw/zinc/07/55/21/1135075521.db2.gz QPOMBISGNUZYGW-DLBZAZTESA-N 1 2 332.492 3.709 20 30 EHEDLO C#C[C@H](NCc1c[nH+]c2ccc(C)cn12)c1ccc(Cl)cc1F ZINC000809698614 1135868484 /nfs/dbraw/zinc/86/84/84/1135868484.db2.gz DNGDLUQFVJQIDS-KRWDZBQOSA-N 1 2 327.790 3.899 20 30 EHEDLO Cc1ncccc1CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000809995472 1135909801 /nfs/dbraw/zinc/90/98/01/1135909801.db2.gz RPGIYRVMSUGDGY-UHFFFAOYSA-N 1 2 347.418 3.806 20 30 EHEDLO C=CCc1ccccc1OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810524636 1135969416 /nfs/dbraw/zinc/96/94/16/1135969416.db2.gz DAXPMQLFSMDAHA-UHFFFAOYSA-N 1 2 332.403 3.808 20 30 EHEDLO C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(OCC#N)cc1 ZINC000776170366 1136020401 /nfs/dbraw/zinc/02/04/01/1136020401.db2.gz PAALPYNLVYUWGQ-JTQLQIEISA-N 1 2 338.304 3.996 20 30 EHEDLO C[C@@]1(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1(Cl)Cl ZINC000828564889 1136082068 /nfs/dbraw/zinc/08/20/68/1136082068.db2.gz XQVAZNZSTGGWMC-GJZGRUSLSA-N 1 2 325.239 3.515 20 30 EHEDLO C[C@@]1(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1(Cl)Cl ZINC000828564889 1136082072 /nfs/dbraw/zinc/08/20/72/1136082072.db2.gz XQVAZNZSTGGWMC-GJZGRUSLSA-N 1 2 325.239 3.515 20 30 EHEDLO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852328970 1136449402 /nfs/dbraw/zinc/44/94/02/1136449402.db2.gz QTHUALSCDLZTPB-NRFANRHFSA-N 1 2 335.451 3.926 20 30 EHEDLO CC(C)Oc1ccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852328970 1136449403 /nfs/dbraw/zinc/44/94/03/1136449403.db2.gz QTHUALSCDLZTPB-NRFANRHFSA-N 1 2 335.451 3.926 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000852329318 1136449537 /nfs/dbraw/zinc/44/95/37/1136449537.db2.gz YBJNLQBWQYYKIO-LJQANCHMSA-N 1 2 343.377 3.740 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000852329318 1136449539 /nfs/dbraw/zinc/44/95/39/1136449539.db2.gz YBJNLQBWQYYKIO-LJQANCHMSA-N 1 2 343.377 3.740 20 30 EHEDLO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC001138006956 1136515722 /nfs/dbraw/zinc/51/57/22/1136515722.db2.gz OWEKWQYNQSFSMX-LBPRGKRZSA-N 1 2 345.258 3.591 20 30 EHEDLO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC001138006956 1136515723 /nfs/dbraw/zinc/51/57/23/1136515723.db2.gz OWEKWQYNQSFSMX-LBPRGKRZSA-N 1 2 345.258 3.591 20 30 EHEDLO Cn1c(-c2ccccc2)cn(C[N@@H+]2CCC[C@@H](CC#N)C2)c1=S ZINC000853526358 1136541171 /nfs/dbraw/zinc/54/11/71/1136541171.db2.gz PWEBRYNZFSGKGW-HNNXBMFYSA-N 1 2 326.469 3.806 20 30 EHEDLO Cn1c(-c2ccccc2)cn(C[N@H+]2CCC[C@@H](CC#N)C2)c1=S ZINC000853526358 1136541175 /nfs/dbraw/zinc/54/11/75/1136541175.db2.gz PWEBRYNZFSGKGW-HNNXBMFYSA-N 1 2 326.469 3.806 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(Cc2cccs2)oc1=S ZINC000853598587 1136547604 /nfs/dbraw/zinc/54/76/04/1136547604.db2.gz TUWYJEVWYUIDHF-BETUJISGSA-N 1 2 333.482 3.998 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(Cc2cccs2)oc1=S ZINC000853598587 1136547607 /nfs/dbraw/zinc/54/76/07/1136547607.db2.gz TUWYJEVWYUIDHF-BETUJISGSA-N 1 2 333.482 3.998 20 30 EHEDLO Cc1[nH+]c(NCc2ccc(O[C@@H](C)C#N)cc2)ccc1-c1cnn(C)c1 ZINC000824445468 1137138318 /nfs/dbraw/zinc/13/83/18/1137138318.db2.gz AAODJRVUARMOGW-AWEZNQCLSA-N 1 2 347.422 3.694 20 30 EHEDLO COc1ccc(CC[N@H+](C)Cc2c(Cl)cccc2C#N)cc1OC ZINC001143716814 1137191754 /nfs/dbraw/zinc/19/17/54/1137191754.db2.gz WMNCKODMKCBWOH-UHFFFAOYSA-N 1 2 344.842 3.903 20 30 EHEDLO COc1ccc(CC[N@@H+](C)Cc2c(Cl)cccc2C#N)cc1OC ZINC001143716814 1137191755 /nfs/dbraw/zinc/19/17/55/1137191755.db2.gz WMNCKODMKCBWOH-UHFFFAOYSA-N 1 2 344.842 3.903 20 30 EHEDLO Cc1ccc([C@@H]2CCCC[N@H+]2Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794634833 1137222211 /nfs/dbraw/zinc/22/22/11/1137222211.db2.gz UKYQVQNKNFVDRT-INIZCTEOSA-N 1 2 341.484 3.510 20 30 EHEDLO Cc1ccc([C@@H]2CCCC[N@@H+]2Cn2nc(CC#N)n(C)c2=S)cc1 ZINC000794634833 1137222212 /nfs/dbraw/zinc/22/22/12/1137222212.db2.gz UKYQVQNKNFVDRT-INIZCTEOSA-N 1 2 341.484 3.510 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2/CSc3ccc(F)cc3C2=O)s1 ZINC000794700011 1137235919 /nfs/dbraw/zinc/23/59/19/1137235919.db2.gz VGQIEFFTQYMKHY-YHYXMXQVSA-N 1 2 334.441 3.716 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2\COc3ccc(Cl)cc3C2=O)s1 ZINC000794710957 1137242409 /nfs/dbraw/zinc/24/24/09/1137242409.db2.gz KWWYNFFFMLMQPD-BJMVGYQFSA-N 1 2 334.828 3.517 20 30 EHEDLO C=C(C)CC[C@@H](C)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000845869368 1137315884 /nfs/dbraw/zinc/31/58/84/1137315884.db2.gz YABMPRSNMYJJHO-CQSZACIVSA-N 1 2 336.501 3.952 20 30 EHEDLO CC(C)n1ncc2cc(C[NH2+]CC3(C#N)CCCC3)c(Cl)nc21 ZINC000846011808 1137325619 /nfs/dbraw/zinc/32/56/19/1137325619.db2.gz PSPBQBQZGDGEAU-UHFFFAOYSA-N 1 2 331.851 3.839 20 30 EHEDLO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cccc(C#N)c1O ZINC000866222672 1137336267 /nfs/dbraw/zinc/33/62/67/1137336267.db2.gz PIFWOELXWOYZQZ-CQSZACIVSA-N 1 2 349.434 3.853 20 30 EHEDLO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(C#N)c1O ZINC000866242946 1137338327 /nfs/dbraw/zinc/33/83/27/1137338327.db2.gz PJCGPNRPLDVVSL-LSDHHAIUSA-N 1 2 339.414 3.580 20 30 EHEDLO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(N2CCCC2=O)c1 ZINC000866242828 1137338523 /nfs/dbraw/zinc/33/85/23/1137338523.db2.gz MZXDVSBCCSKRAP-GJZGRUSLSA-N 1 2 349.434 3.802 20 30 EHEDLO CC(C)COC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccco1 ZINC000866252826 1137339791 /nfs/dbraw/zinc/33/97/91/1137339791.db2.gz QXJCUVVAMNWRIW-YOEHRIQHSA-N 1 2 328.412 3.921 20 30 EHEDLO c1ccc2c(c1)CC1(CCOCC1)C2=NNc1cc[nH+]c2ccccc12 ZINC000794909377 1137343434 /nfs/dbraw/zinc/34/34/34/1137343434.db2.gz QDLZXUMNTLZMFO-UHFFFAOYSA-N 1 2 343.430 3.826 20 30 EHEDLO C=CC[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCN(C(C)=O)CC3)cc2)C1 ZINC000866626509 1137371189 /nfs/dbraw/zinc/37/11/89/1137371189.db2.gz NSBMPUUMIOHNQS-IEBWSBKVSA-N 1 2 327.472 3.512 20 30 EHEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000847028338 1137383532 /nfs/dbraw/zinc/38/35/32/1137383532.db2.gz FMNDVOPJMXYSGD-NEPJUHHUSA-N 1 2 325.239 3.666 20 30 EHEDLO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000847028338 1137383533 /nfs/dbraw/zinc/38/35/33/1137383533.db2.gz FMNDVOPJMXYSGD-NEPJUHHUSA-N 1 2 325.239 3.666 20 30 EHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1F ZINC001171620514 1137501081 /nfs/dbraw/zinc/50/10/81/1137501081.db2.gz QPCTUSZFNCKRSX-QGZVFWFLSA-N 1 2 336.370 3.988 20 30 EHEDLO CC(C)C[C@@](C)(C#N)[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171884811 1137516770 /nfs/dbraw/zinc/51/67/70/1137516770.db2.gz BIUBFSKAJAHZIC-ICSRJNTNSA-N 1 2 327.472 3.599 20 30 EHEDLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172310903 1137545908 /nfs/dbraw/zinc/54/59/08/1137545908.db2.gz LJQFVDGEXINMPB-OAHLLOKOSA-N 1 2 342.464 3.616 20 30 EHEDLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172310903 1137545909 /nfs/dbraw/zinc/54/59/09/1137545909.db2.gz LJQFVDGEXINMPB-OAHLLOKOSA-N 1 2 342.464 3.616 20 30 EHEDLO COCC[N@H+](Cc1cc(C#N)cnc1Cl)[C@H](C)c1ccccc1 ZINC000876601455 1137656725 /nfs/dbraw/zinc/65/67/25/1137656725.db2.gz QOYQZEHHRUZXPE-CQSZACIVSA-N 1 2 329.831 3.816 20 30 EHEDLO COCC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H](C)c1ccccc1 ZINC000876601455 1137656726 /nfs/dbraw/zinc/65/67/26/1137656726.db2.gz QOYQZEHHRUZXPE-CQSZACIVSA-N 1 2 329.831 3.816 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000876652728 1137658228 /nfs/dbraw/zinc/65/82/28/1137658228.db2.gz QZMBXTFDFGXJTA-UHFFFAOYSA-N 1 2 327.815 3.724 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000876652728 1137658229 /nfs/dbraw/zinc/65/82/29/1137658229.db2.gz QZMBXTFDFGXJTA-UHFFFAOYSA-N 1 2 327.815 3.724 20 30 EHEDLO C=C(C)C[C@@H]([NH2+][C@H](C)CCc1cncc2ccccc21)C(=O)OC ZINC000877691035 1137685980 /nfs/dbraw/zinc/68/59/80/1137685980.db2.gz YKFHIZGQUGPRMR-DNVCBOLYSA-N 1 2 326.440 3.653 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878322669 1137711018 /nfs/dbraw/zinc/71/10/18/1137711018.db2.gz MKDCTHMFGYEDTC-FKBYEOEOSA-N 1 2 348.446 3.852 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CC[C@@H](c4ccccc4)O3)CCO2)c1 ZINC000878322669 1137711019 /nfs/dbraw/zinc/71/10/19/1137711019.db2.gz MKDCTHMFGYEDTC-FKBYEOEOSA-N 1 2 348.446 3.852 20 30 EHEDLO C=C(Cl)C[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879613437 1137752457 /nfs/dbraw/zinc/75/24/57/1137752457.db2.gz IIISJGHKXYJTFI-UHFFFAOYSA-N 1 2 328.909 3.563 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000331479154 1137909945 /nfs/dbraw/zinc/90/99/45/1137909945.db2.gz HWDCOONAOAMNMK-SFHVURJKSA-N 1 2 337.423 3.852 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)cc2)c(C#N)c1C ZINC000331479154 1137909946 /nfs/dbraw/zinc/90/99/46/1137909946.db2.gz HWDCOONAOAMNMK-SFHVURJKSA-N 1 2 337.423 3.852 20 30 EHEDLO C[C@@H]1CN(c2ccc(NC3CCC(C)(C#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000332386176 1137942288 /nfs/dbraw/zinc/94/22/88/1137942288.db2.gz JICRSAYWMRGUQZ-JOUKPKRSSA-N 1 2 328.460 3.580 20 30 EHEDLO C=CCC1(O)CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000884724698 1137971735 /nfs/dbraw/zinc/97/17/35/1137971735.db2.gz BCDOXTFSNAZLGG-UHFFFAOYSA-N 1 2 347.256 3.905 20 30 EHEDLO C#CC[C@@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000886359917 1138071118 /nfs/dbraw/zinc/07/11/18/1138071118.db2.gz LZPBCMBDWWJXRC-GFCCVEGCSA-N 1 2 339.420 3.502 20 30 EHEDLO C#CC[C@@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1 ZINC000886359917 1138071119 /nfs/dbraw/zinc/07/11/19/1138071119.db2.gz LZPBCMBDWWJXRC-GFCCVEGCSA-N 1 2 339.420 3.502 20 30 EHEDLO CSc1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cc1C#N ZINC000886690052 1138115980 /nfs/dbraw/zinc/11/59/80/1138115980.db2.gz NOUJSXJRPCWEKS-QAPCUYQASA-N 1 2 328.412 3.842 20 30 EHEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000086234782 1138186240 /nfs/dbraw/zinc/18/62/40/1138186240.db2.gz RHBXDEQSLKNGQT-INIZCTEOSA-N 1 2 337.423 3.752 20 30 EHEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000086234782 1138186241 /nfs/dbraw/zinc/18/62/41/1138186241.db2.gz RHBXDEQSLKNGQT-INIZCTEOSA-N 1 2 337.423 3.752 20 30 EHEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000089126255 1138195570 /nfs/dbraw/zinc/19/55/70/1138195570.db2.gz CXXXYBAXUSDVHU-LBPRGKRZSA-N 1 2 331.416 3.573 20 30 EHEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000887270362 1138252365 /nfs/dbraw/zinc/25/23/65/1138252365.db2.gz MPNJPETUGDBZCQ-RHTHQAGFSA-N 1 2 347.455 3.576 20 30 EHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135232344 1138736156 /nfs/dbraw/zinc/73/61/56/1138736156.db2.gz XKGLZHZSDTXEQR-SFHVURJKSA-N 1 2 348.494 3.762 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266995926 1140748226 /nfs/dbraw/zinc/74/82/26/1140748226.db2.gz ZKGNXMNVGGTEGF-UHFFFAOYSA-N 1 2 340.427 3.776 20 30 EHEDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000348831922 1141590747 /nfs/dbraw/zinc/59/07/47/1141590747.db2.gz HDLAJYNACLVJDJ-GOSISDBHSA-N 1 2 340.427 3.788 20 30 EHEDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000348831922 1141590751 /nfs/dbraw/zinc/59/07/51/1141590751.db2.gz HDLAJYNACLVJDJ-GOSISDBHSA-N 1 2 340.427 3.788 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccccc2)CC1 ZINC000083146542 1016591062 /nfs/dbraw/zinc/59/10/62/1016591062.db2.gz PDBXJZFJIWUXFP-FQEVSTJZSA-N 1 2 334.419 3.652 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)C1CC1 ZINC000536742299 1032222275 /nfs/dbraw/zinc/22/22/75/1032222275.db2.gz CFPGZBGORZTDSR-UHFFFAOYSA-N 1 2 327.453 3.707 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)C1CC1 ZINC000536742299 1032222290 /nfs/dbraw/zinc/22/22/90/1032222290.db2.gz CFPGZBGORZTDSR-UHFFFAOYSA-N 1 2 327.453 3.707 20 30 EHEDLO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000905002071 1032316084 /nfs/dbraw/zinc/31/60/84/1032316084.db2.gz FICYACLWWADNDV-JAEYLYOOSA-N 1 2 345.295 3.698 20 30 EHEDLO Oc1c(Cl)cc(Cl)cc1/C=N\[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000905002071 1032316097 /nfs/dbraw/zinc/31/60/97/1032316097.db2.gz FICYACLWWADNDV-JAEYLYOOSA-N 1 2 345.295 3.698 20 30 EHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000538468173 1032392322 /nfs/dbraw/zinc/39/23/22/1032392322.db2.gz WHAJQWTUNVYBBZ-GOSISDBHSA-N 1 2 328.456 3.565 20 30 EHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](CCC(C)(C)C#N)C1CC1 ZINC000538468173 1032392335 /nfs/dbraw/zinc/39/23/35/1032392335.db2.gz WHAJQWTUNVYBBZ-GOSISDBHSA-N 1 2 328.456 3.565 20 30 EHEDLO C=CCOc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1Cl ZINC000449478425 1032604197 /nfs/dbraw/zinc/60/41/97/1032604197.db2.gz KEFIBTRCWQVWFO-UHFFFAOYSA-N 1 2 326.227 3.582 20 30 EHEDLO CCC(CC)CN(CCC#N)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602094740 1032638528 /nfs/dbraw/zinc/63/85/28/1032638528.db2.gz VKBXYLBELMXVFG-CQSZACIVSA-N 1 2 344.381 3.555 20 30 EHEDLO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1F ZINC000593060809 1032661821 /nfs/dbraw/zinc/66/18/21/1032661821.db2.gz JETDUAMOYHWSNA-SFHVURJKSA-N 1 2 326.371 3.725 20 30 EHEDLO Cn1c[nH+]cc1CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000177263767 1017607049 /nfs/dbraw/zinc/60/70/49/1017607049.db2.gz FVYXCNDNKMIVDT-UHFFFAOYSA-N 1 2 334.398 3.633 20 30 EHEDLO Cn1cncc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000177263767 1017607054 /nfs/dbraw/zinc/60/70/54/1017607054.db2.gz FVYXCNDNKMIVDT-UHFFFAOYSA-N 1 2 334.398 3.633 20 30 EHEDLO Cn1cncc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000177263767 1017607060 /nfs/dbraw/zinc/60/70/60/1017607060.db2.gz FVYXCNDNKMIVDT-UHFFFAOYSA-N 1 2 334.398 3.633 20 30 EHEDLO N#Cc1c(F)cccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000187299031 1017869702 /nfs/dbraw/zinc/86/97/02/1017869702.db2.gz ABVZAMSCOCNCHX-UHFFFAOYSA-N 1 2 340.745 3.789 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2Cc3ccccc3C2)cc1 ZINC000155483021 1017987922 /nfs/dbraw/zinc/98/79/22/1017987922.db2.gz NZSOSRIDSSPLCY-QGZVFWFLSA-N 1 2 333.435 3.646 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Br)cn1 ZINC000172530415 1032764206 /nfs/dbraw/zinc/76/42/06/1032764206.db2.gz FVWMEHDSEXPPGG-UHFFFAOYSA-N 1 2 333.204 3.619 20 30 EHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Br)cn1 ZINC000172530415 1032764220 /nfs/dbraw/zinc/76/42/20/1032764220.db2.gz FVWMEHDSEXPPGG-UHFFFAOYSA-N 1 2 333.204 3.619 20 30 EHEDLO CC(C)(C#N)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000025440217 1018981805 /nfs/dbraw/zinc/98/18/05/1018981805.db2.gz UMINODDLWXEXOQ-UHFFFAOYSA-N 1 2 330.391 3.926 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000127167620 1020587864 /nfs/dbraw/zinc/58/78/64/1020587864.db2.gz AGQKFTOYWOLZOJ-APWZRJJASA-N 1 2 326.440 3.772 20 30 EHEDLO C[C@H](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)n1cc[nH+]c1 ZINC000581313334 1020669640 /nfs/dbraw/zinc/66/96/40/1020669640.db2.gz BNGCVTSRKVLZJG-UONOGXRCSA-N 1 2 328.441 3.725 20 30 EHEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccsc1 ZINC000126698169 1021243237 /nfs/dbraw/zinc/24/32/37/1021243237.db2.gz ZNEMSCCVSKULNS-UHFFFAOYSA-N 1 2 337.448 3.931 20 30 EHEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccsc1 ZINC000126698169 1021243243 /nfs/dbraw/zinc/24/32/43/1021243243.db2.gz ZNEMSCCVSKULNS-UHFFFAOYSA-N 1 2 337.448 3.931 20 30 EHEDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000516320620 1021279842 /nfs/dbraw/zinc/27/98/42/1021279842.db2.gz VOWCBAGEFYITJW-KRWDZBQOSA-N 1 2 340.448 3.916 20 30 EHEDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000516320620 1021279853 /nfs/dbraw/zinc/27/98/53/1021279853.db2.gz VOWCBAGEFYITJW-KRWDZBQOSA-N 1 2 340.448 3.916 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C3/COc4c(F)ccc(F)c4C3=O)n2c1 ZINC000588425791 1021554245 /nfs/dbraw/zinc/55/42/45/1021554245.db2.gz NEZRISBGPDCUJR-WDZFZDKYSA-N 1 2 326.302 3.580 20 30 EHEDLO C[C@H](CC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1)n1cc[nH+]c1 ZINC001125529006 1021592677 /nfs/dbraw/zinc/59/26/77/1021592677.db2.gz JMIJDVOHUXYNLN-CQSZACIVSA-N 1 2 347.378 3.532 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000437394680 1021792125 /nfs/dbraw/zinc/79/21/25/1021792125.db2.gz IXHKGRIVOFXHBX-UHFFFAOYSA-N 1 2 347.321 3.700 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000437394680 1021792136 /nfs/dbraw/zinc/79/21/36/1021792136.db2.gz IXHKGRIVOFXHBX-UHFFFAOYSA-N 1 2 347.321 3.700 20 30 EHEDLO C[N@H+](Cc1cc(C#N)cs1)Cc1ccnn1CCc1ccccc1 ZINC000897624482 1033008957 /nfs/dbraw/zinc/00/89/57/1033008957.db2.gz LRNHSMDGGDOWKB-UHFFFAOYSA-N 1 2 336.464 3.691 20 30 EHEDLO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccnn1CCc1ccccc1 ZINC000897624482 1033008968 /nfs/dbraw/zinc/00/89/68/1033008968.db2.gz LRNHSMDGGDOWKB-UHFFFAOYSA-N 1 2 336.464 3.691 20 30 EHEDLO C=CCOc1ccccc1C[N@H+](CCOC)Cc1scnc1C ZINC000426547975 1021878058 /nfs/dbraw/zinc/87/80/58/1021878058.db2.gz IULZZHODTDTZMU-UHFFFAOYSA-N 1 2 332.469 3.665 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+](CCOC)Cc1scnc1C ZINC000426547975 1021878070 /nfs/dbraw/zinc/87/80/70/1021878070.db2.gz IULZZHODTDTZMU-UHFFFAOYSA-N 1 2 332.469 3.665 20 30 EHEDLO C=CC[C@H](CC)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000341435273 1021886746 /nfs/dbraw/zinc/88/67/46/1021886746.db2.gz REMNDIOILVGVIO-WDSOQIARSA-N 1 2 338.455 3.766 20 30 EHEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000440394876 1022165864 /nfs/dbraw/zinc/16/58/64/1022165864.db2.gz AGNROJUADISLFB-FQEVSTJZSA-N 1 2 333.410 3.901 20 30 EHEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000440394876 1022165880 /nfs/dbraw/zinc/16/58/80/1022165880.db2.gz AGNROJUADISLFB-FQEVSTJZSA-N 1 2 333.410 3.901 20 30 EHEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC1(C#N)CC1)CC2 ZINC000343244660 1022416958 /nfs/dbraw/zinc/41/69/58/1022416958.db2.gz DNRNHUFYVKOTFQ-NRFANRHFSA-N 1 2 348.446 3.955 20 30 EHEDLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC1(C#N)CC1)CC2 ZINC000343244660 1022416965 /nfs/dbraw/zinc/41/69/65/1022416965.db2.gz DNRNHUFYVKOTFQ-NRFANRHFSA-N 1 2 348.446 3.955 20 30 EHEDLO O=C(NCC1CCCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000328783470 1022500507 /nfs/dbraw/zinc/50/05/07/1022500507.db2.gz NOHWLFCWYHTYTR-RBUKOAKNSA-N 1 2 338.455 3.806 20 30 EHEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328869603 1022523695 /nfs/dbraw/zinc/52/36/95/1022523695.db2.gz HRTWZSHMOOTVOL-VVLHAWIVSA-N 1 2 330.476 3.862 20 30 EHEDLO COc1cccc(Cl)c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000506386031 1023038237 /nfs/dbraw/zinc/03/82/37/1023038237.db2.gz NMDVUPQUDGDSFE-UHFFFAOYSA-N 1 2 341.842 3.542 20 30 EHEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361335 1023390898 /nfs/dbraw/zinc/39/08/98/1023390898.db2.gz MSICEJNQDOOQTH-MRXNPFEDSA-N 1 2 347.505 3.590 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361335 1023390909 /nfs/dbraw/zinc/39/09/09/1023390909.db2.gz MSICEJNQDOOQTH-MRXNPFEDSA-N 1 2 347.505 3.590 20 30 EHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCOC3(CCC3)C2)c1 ZINC000330202611 1024351968 /nfs/dbraw/zinc/35/19/68/1024351968.db2.gz ZNNJVFWFNGLUIE-OAHLLOKOSA-N 1 2 325.412 3.587 20 30 EHEDLO CC1(CC(F)F)C[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000895103706 1024413930 /nfs/dbraw/zinc/41/39/30/1024413930.db2.gz AJUIASRMCAGYEH-UHFFFAOYSA-N 1 2 329.188 3.798 20 30 EHEDLO C=C(Cl)C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(=O)OCC ZINC000895417935 1024489319 /nfs/dbraw/zinc/48/93/19/1024489319.db2.gz JKTWPRKEMAMNOF-LSDHHAIUSA-N 1 2 329.868 3.532 20 30 EHEDLO C[NH+](C)Cc1csc(CNc2ccc(C(F)(F)F)cc2C#N)n1 ZINC000895478856 1024552479 /nfs/dbraw/zinc/55/24/79/1024552479.db2.gz FFIVTJRSQQUNDG-UHFFFAOYSA-N 1 2 340.374 3.707 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474252223 1024651607 /nfs/dbraw/zinc/65/16/07/1024651607.db2.gz QDORHKVNUGCIKJ-SOLBZPMBSA-N 1 2 338.854 3.943 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474252223 1024651614 /nfs/dbraw/zinc/65/16/14/1024651614.db2.gz QDORHKVNUGCIKJ-SOLBZPMBSA-N 1 2 338.854 3.943 20 30 EHEDLO CCc1cc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)ccc1C ZINC000330326869 1024783574 /nfs/dbraw/zinc/78/35/74/1024783574.db2.gz KLEODKHRUSPQAR-AEFFLSMTSA-N 1 2 342.443 3.537 20 30 EHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000602899136 1033248469 /nfs/dbraw/zinc/24/84/69/1033248469.db2.gz OXBISBJTPLLINY-QAQDUYKDSA-N 1 2 349.438 3.807 20 30 EHEDLO COc1cccc(-c2csc(C[NH2+]CC3(C#N)CCCC3)n2)c1 ZINC000895140890 1024980654 /nfs/dbraw/zinc/98/06/54/1024980654.db2.gz HHCGRVQTYVNVFH-UHFFFAOYSA-N 1 2 327.453 3.992 20 30 EHEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2ccccc2)cc1Cl ZINC000435535138 1024997861 /nfs/dbraw/zinc/99/78/61/1024997861.db2.gz POMVSJJFELKHGX-QGZVFWFLSA-N 1 2 344.842 3.592 20 30 EHEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2ccccc2)cc1Cl ZINC000435535138 1024997870 /nfs/dbraw/zinc/99/78/70/1024997870.db2.gz POMVSJJFELKHGX-QGZVFWFLSA-N 1 2 344.842 3.592 20 30 EHEDLO CCCOc1ccc(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)cn1 ZINC000924999932 1025219492 /nfs/dbraw/zinc/21/94/92/1025219492.db2.gz OZIVRPXCHALJSM-KRWDZBQOSA-N 1 2 325.412 3.689 20 30 EHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000428258861 1025472798 /nfs/dbraw/zinc/47/27/98/1025472798.db2.gz XSPAYHRLRRGGPE-MRXNPFEDSA-N 1 2 340.373 3.931 20 30 EHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000428258861 1025472804 /nfs/dbraw/zinc/47/28/04/1025472804.db2.gz XSPAYHRLRRGGPE-MRXNPFEDSA-N 1 2 340.373 3.931 20 30 EHEDLO C=C1CC[NH+]([C@@H](C)C(=O)c2cc(C)n(Cc3ccco3)c2C)CC1 ZINC000436401146 1025682988 /nfs/dbraw/zinc/68/29/88/1025682988.db2.gz NXOSHIKVVVEUQP-KRWDZBQOSA-N 1 2 326.440 3.969 20 30 EHEDLO CCC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120038632 1025727522 /nfs/dbraw/zinc/72/75/22/1025727522.db2.gz DCYOYDGPGFFKRA-HNNXBMFYSA-N 1 2 339.414 3.937 20 30 EHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120038632 1025727538 /nfs/dbraw/zinc/72/75/38/1025727538.db2.gz DCYOYDGPGFFKRA-HNNXBMFYSA-N 1 2 339.414 3.937 20 30 EHEDLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000892244419 1025777109 /nfs/dbraw/zinc/77/71/09/1025777109.db2.gz IUSPDNLCLIIFHX-HXUWFJFHSA-N 1 2 338.455 3.526 20 30 EHEDLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000892244419 1025777123 /nfs/dbraw/zinc/77/71/23/1025777123.db2.gz IUSPDNLCLIIFHX-HXUWFJFHSA-N 1 2 338.455 3.526 20 30 EHEDLO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1ccc(C)[nH+]c1C ZINC000338400350 1026030684 /nfs/dbraw/zinc/03/06/84/1026030684.db2.gz JZYBUSAEZJEIQL-UHFFFAOYSA-N 1 2 337.810 3.895 20 30 EHEDLO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000186330867 1026514839 /nfs/dbraw/zinc/51/48/39/1026514839.db2.gz VIJIOXYAEVBCDW-OAHLLOKOSA-N 1 2 332.407 3.691 20 30 EHEDLO C[N@H+](CC#Cc1ccccc1Cl)Cc1ccc([S@@](C)=O)cc1 ZINC000135128762 1026606858 /nfs/dbraw/zinc/60/68/58/1026606858.db2.gz MIQWLEFOAYKXFM-QFIPXVFZSA-N 1 2 331.868 3.561 20 30 EHEDLO C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccc([S@@](C)=O)cc1 ZINC000135128762 1026606866 /nfs/dbraw/zinc/60/68/66/1026606866.db2.gz MIQWLEFOAYKXFM-QFIPXVFZSA-N 1 2 331.868 3.561 20 30 EHEDLO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000153202136 1027563930 /nfs/dbraw/zinc/56/39/30/1027563930.db2.gz ANUCDKSZERRLIZ-NWDGAFQWSA-N 1 2 342.390 3.785 20 30 EHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000153202136 1027563938 /nfs/dbraw/zinc/56/39/38/1027563938.db2.gz ANUCDKSZERRLIZ-NWDGAFQWSA-N 1 2 342.390 3.785 20 30 EHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422197837 1027642120 /nfs/dbraw/zinc/64/21/20/1027642120.db2.gz BOKMGTVUBGMLCU-UHFFFAOYSA-N 1 2 339.439 3.605 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043228 1027685263 /nfs/dbraw/zinc/68/52/63/1027685263.db2.gz CEKNUGRTXQDRFV-MAUKXSAKSA-N 1 2 328.456 3.568 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000048043228 1027685268 /nfs/dbraw/zinc/68/52/68/1027685268.db2.gz CEKNUGRTXQDRFV-MAUKXSAKSA-N 1 2 328.456 3.568 20 30 EHEDLO Cc1cc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(C)[nH+]1 ZINC000420844397 1027785599 /nfs/dbraw/zinc/78/55/99/1027785599.db2.gz GTJZJLWMYSXRNT-VQTJNVASSA-N 1 2 348.450 3.680 20 30 EHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cnn(Cc4ccccc4)c3)n21 ZINC000760272496 1028607400 /nfs/dbraw/zinc/60/74/00/1028607400.db2.gz GZTAGJXYBJBKAS-KHPPLWFESA-N 1 2 342.402 3.784 20 30 EHEDLO CC(C)(C#N)CCC[S@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445543550 1028905041 /nfs/dbraw/zinc/90/50/41/1028905041.db2.gz WNISXSDYMSXXHZ-QHCPKHFHSA-N 1 2 329.469 3.510 20 30 EHEDLO Cc1cc(C#N)ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000162558424 1028986334 /nfs/dbraw/zinc/98/63/34/1028986334.db2.gz NDOHOLIZYVSYEU-UHFFFAOYSA-N 1 2 340.452 3.561 20 30 EHEDLO CCOc1cc(C[N@H+](C)C[C@@H](C#N)CCC#N)ccc1OC(F)F ZINC000078542223 1029358920 /nfs/dbraw/zinc/35/89/20/1029358920.db2.gz BUBGFFWMXLDKBO-CQSZACIVSA-N 1 2 337.370 3.562 20 30 EHEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C#N)CCC#N)ccc1OC(F)F ZINC000078542223 1029358931 /nfs/dbraw/zinc/35/89/31/1029358931.db2.gz BUBGFFWMXLDKBO-CQSZACIVSA-N 1 2 337.370 3.562 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c(Br)c1 ZINC000611577986 1029582804 /nfs/dbraw/zinc/58/28/04/1029582804.db2.gz MLSCLNNFUAHHFB-GFCCVEGCSA-N 1 2 345.187 3.524 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c(Br)c1 ZINC000611577986 1029582807 /nfs/dbraw/zinc/58/28/07/1029582807.db2.gz MLSCLNNFUAHHFB-GFCCVEGCSA-N 1 2 345.187 3.524 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CC2)nc1-c1ccco1 ZINC000728562303 1029623073 /nfs/dbraw/zinc/62/30/73/1029623073.db2.gz LEMCMBIDMOBVSJ-CQSZACIVSA-N 1 2 330.457 3.692 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CC2)nc1-c1ccco1 ZINC000728562303 1029623082 /nfs/dbraw/zinc/62/30/82/1029623082.db2.gz LEMCMBIDMOBVSJ-CQSZACIVSA-N 1 2 330.457 3.692 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(C#N)cc1 ZINC000340424670 1029872773 /nfs/dbraw/zinc/87/27/73/1029872773.db2.gz KJTMZBXLKWIMPU-MNOVXSKESA-N 1 2 331.217 3.523 20 30 EHEDLO C[C@H](C#N)C[N@H+](CCOc1cc(F)cc(Br)c1)C1CC1 ZINC000525833412 1030159002 /nfs/dbraw/zinc/15/90/02/1030159002.db2.gz QUHJHULBQKHKBA-LLVKDONJSA-N 1 2 341.224 3.591 20 30 EHEDLO C[C@H](C#N)C[N@@H+](CCOc1cc(F)cc(Br)c1)C1CC1 ZINC000525833412 1030159007 /nfs/dbraw/zinc/15/90/07/1030159007.db2.gz QUHJHULBQKHKBA-LLVKDONJSA-N 1 2 341.224 3.591 20 30 EHEDLO CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)CC3CCCC3)CC2)o1 ZINC000329423150 1030694612 /nfs/dbraw/zinc/69/46/12/1030694612.db2.gz FTVKBXYPPFPXMR-ZDUSSCGKSA-N 1 2 334.464 3.694 20 30 EHEDLO C[C@H](CC(=O)Nc1sc2c(c1C#N)CCCCC2)n1cc[nH+]c1 ZINC000568096322 1030766247 /nfs/dbraw/zinc/76/62/47/1030766247.db2.gz XFCMXEVGDOASDG-GFCCVEGCSA-N 1 2 328.441 3.675 20 30 EHEDLO C=CC[N@H+](Cc1csc(-c2cccc(OC)c2)n1)[C@H](C)COC ZINC000661244561 1030853682 /nfs/dbraw/zinc/85/36/82/1030853682.db2.gz VCQORLXGHWHOJE-CQSZACIVSA-N 1 2 332.469 3.842 20 30 EHEDLO C=CC[N@@H+](Cc1csc(-c2cccc(OC)c2)n1)[C@H](C)COC ZINC000661244561 1030853699 /nfs/dbraw/zinc/85/36/99/1030853699.db2.gz VCQORLXGHWHOJE-CQSZACIVSA-N 1 2 332.469 3.842 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CC)CCC2CC2)c1=S ZINC000760539510 1031111249 /nfs/dbraw/zinc/11/12/49/1031111249.db2.gz VRAZCBDUFCGAMW-UHFFFAOYSA-N 1 2 332.473 3.940 20 30 EHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CC)CCC2CC2)c1=S ZINC000760539510 1031111258 /nfs/dbraw/zinc/11/12/58/1031111258.db2.gz VRAZCBDUFCGAMW-UHFFFAOYSA-N 1 2 332.473 3.940 20 30 EHEDLO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000584030973 1031506008 /nfs/dbraw/zinc/50/60/08/1031506008.db2.gz AMKXLRRDPNKWOR-SJKOYZFVSA-N 1 2 330.815 3.604 20 30 EHEDLO Cc1cn(C(C)(C)C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)c[nH+]1 ZINC000904178503 1031828556 /nfs/dbraw/zinc/82/85/56/1031828556.db2.gz MBLDXKYMDJGRLQ-UHFFFAOYSA-N 1 2 342.226 3.651 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2OC)o1)Cc1ccccc1 ZINC000159051864 1031835261 /nfs/dbraw/zinc/83/52/61/1031835261.db2.gz UPEYKSMKMTZEIC-UHFFFAOYSA-N 1 2 335.407 3.933 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2OC)o1)Cc1ccccc1 ZINC000159051864 1031835276 /nfs/dbraw/zinc/83/52/76/1031835276.db2.gz UPEYKSMKMTZEIC-UHFFFAOYSA-N 1 2 335.407 3.933 20 30 EHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000602993388 1033295728 /nfs/dbraw/zinc/29/57/28/1033295728.db2.gz ZUIKCROELUKKGU-AWEZNQCLSA-N 1 2 349.475 3.701 20 30 EHEDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594933037 1033583361 /nfs/dbraw/zinc/58/33/61/1033583361.db2.gz YHKVKLXWZYTTBX-UHFFFAOYSA-N 1 2 326.469 3.681 20 30 EHEDLO Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595630087 1033908345 /nfs/dbraw/zinc/90/83/45/1033908345.db2.gz SFYZNTZSWZLJCR-UHFFFAOYSA-N 1 2 340.496 3.769 20 30 EHEDLO Cc1ccc(-c2noc(C[NH2+]C(C)(C)c3cccc(C#N)c3)n2)cc1 ZINC000595641193 1033930464 /nfs/dbraw/zinc/93/04/64/1033930464.db2.gz DNZIUGOLZOWHQY-UHFFFAOYSA-N 1 2 332.407 3.942 20 30 EHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c1C#N ZINC000599514849 1033973507 /nfs/dbraw/zinc/97/35/07/1033973507.db2.gz LVEGBNPQJPKQBN-KBPBESRZSA-N 1 2 344.409 3.776 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c(OC(F)F)c1 ZINC000595821239 1033993444 /nfs/dbraw/zinc/99/34/44/1033993444.db2.gz BSNPEVKQELUQJI-UHFFFAOYSA-N 1 2 348.393 3.551 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(OC(F)F)c1 ZINC000595821239 1033993456 /nfs/dbraw/zinc/99/34/56/1033993456.db2.gz BSNPEVKQELUQJI-UHFFFAOYSA-N 1 2 348.393 3.551 20 30 EHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000604529482 1034413625 /nfs/dbraw/zinc/41/36/25/1034413625.db2.gz MJRPPUNWMUVVLJ-UHFFFAOYSA-N 1 2 346.390 3.966 20 30 EHEDLO N#CC1(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC2(CC2)C1 ZINC000601374923 1034477182 /nfs/dbraw/zinc/47/71/82/1034477182.db2.gz BAIFGBZRFJKXHX-UHFFFAOYSA-N 1 2 344.418 3.624 20 30 EHEDLO CCOc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000597230671 1034610854 /nfs/dbraw/zinc/61/08/54/1034610854.db2.gz TUAZICFSYPRBEQ-INIZCTEOSA-N 1 2 342.361 3.762 20 30 EHEDLO CCOc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OCC(F)(F)F ZINC000597230671 1034610865 /nfs/dbraw/zinc/61/08/65/1034610865.db2.gz TUAZICFSYPRBEQ-INIZCTEOSA-N 1 2 342.361 3.762 20 30 EHEDLO C[C@]1(C#N)CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597230939 1034613751 /nfs/dbraw/zinc/61/37/51/1034613751.db2.gz VGJSFORNTVTJOS-OAQYLSRUSA-N 1 2 331.419 3.873 20 30 EHEDLO C[C@]1(C#N)CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597230939 1034613759 /nfs/dbraw/zinc/61/37/59/1034613759.db2.gz VGJSFORNTVTJOS-OAQYLSRUSA-N 1 2 331.419 3.873 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000450644493 1034617100 /nfs/dbraw/zinc/61/71/00/1034617100.db2.gz KWTZUSVKNKLYPF-OAQYLSRUSA-N 1 2 334.419 3.673 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)c1 ZINC000450644493 1034617111 /nfs/dbraw/zinc/61/71/11/1034617111.db2.gz KWTZUSVKNKLYPF-OAQYLSRUSA-N 1 2 334.419 3.673 20 30 EHEDLO C[N@H+](CC1(C#N)CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000450832416 1034839684 /nfs/dbraw/zinc/83/96/84/1034839684.db2.gz VRKFRMWACNFPBL-CQSZACIVSA-N 1 2 335.245 3.898 20 30 EHEDLO C[N@@H+](CC1(C#N)CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000450832416 1034839690 /nfs/dbraw/zinc/83/96/90/1034839690.db2.gz VRKFRMWACNFPBL-CQSZACIVSA-N 1 2 335.245 3.898 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nc(Cc2ccccc2)no1 ZINC000065959490 1035029196 /nfs/dbraw/zinc/02/91/96/1035029196.db2.gz DMFGEYWCPKPBHS-UHFFFAOYSA-N 1 2 333.435 3.891 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nc(Cc2ccccc2)no1 ZINC000065959490 1035029210 /nfs/dbraw/zinc/02/92/10/1035029210.db2.gz DMFGEYWCPKPBHS-UHFFFAOYSA-N 1 2 333.435 3.891 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cc(OC)ccc1OCOC)c1ccc(Cl)cc1 ZINC000491230865 1035634557 /nfs/dbraw/zinc/63/45/57/1035634557.db2.gz PPBVNSKBCGRERX-SFHVURJKSA-N 1 2 345.826 3.795 20 30 EHEDLO C=CCn1c(SCc2ccc(C)[nH+]c2C)nc2ccccc2c1=O ZINC000186370804 1035648428 /nfs/dbraw/zinc/64/84/28/1035648428.db2.gz MLSSSBWSPSWMRW-UHFFFAOYSA-N 1 2 337.448 3.887 20 30 EHEDLO CC1CC[NH+](Cc2csc(NC(=O)CCCCCC#N)n2)CC1 ZINC000588267404 1035871143 /nfs/dbraw/zinc/87/11/43/1035871143.db2.gz ILIQIMXMYRAUTP-UHFFFAOYSA-N 1 2 334.489 3.788 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C(C)(C)CO1 ZINC000589502017 1036439797 /nfs/dbraw/zinc/43/97/97/1036439797.db2.gz BHYGXYDNZFMBQK-UHFFFAOYSA-N 1 2 326.362 3.966 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C(C)(C)CO1 ZINC000589502017 1036439803 /nfs/dbraw/zinc/43/98/03/1036439803.db2.gz BHYGXYDNZFMBQK-UHFFFAOYSA-N 1 2 326.362 3.966 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(F)c1 ZINC000007791485 1037122852 /nfs/dbraw/zinc/12/28/52/1037122852.db2.gz JUPOHJQQIMUUMH-UHFFFAOYSA-N 1 2 343.427 3.512 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(F)c1 ZINC000007791485 1037122859 /nfs/dbraw/zinc/12/28/59/1037122859.db2.gz JUPOHJQQIMUUMH-UHFFFAOYSA-N 1 2 343.427 3.512 20 30 EHEDLO Cc1cccn2c(C[N@@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cnc12 ZINC000539827321 1037251492 /nfs/dbraw/zinc/25/14/92/1037251492.db2.gz QHIBGRLRBHSEMV-UXHICEINSA-N 1 2 330.435 3.915 20 30 EHEDLO Cc1cccn2c(C[N@H+]3CCC[C@H]3[C@H](C#N)c3ccccc3)cnc12 ZINC000539827321 1037251506 /nfs/dbraw/zinc/25/15/06/1037251506.db2.gz QHIBGRLRBHSEMV-UXHICEINSA-N 1 2 330.435 3.915 20 30 EHEDLO CCc1cc2oc(=O)cc(C[NH+]3CCC(C#N)CC3)c2cc1Cl ZINC000057907829 1037253146 /nfs/dbraw/zinc/25/31/46/1037253146.db2.gz BRDKBJHVILRBPJ-UHFFFAOYSA-N 1 2 330.815 3.744 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(C)cc1Cl ZINC000491370223 1037429302 /nfs/dbraw/zinc/42/93/02/1037429302.db2.gz YWSZXGRQPJTPCH-UHFFFAOYSA-N 1 2 332.831 3.911 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(C)cc1Cl ZINC000491370223 1037429311 /nfs/dbraw/zinc/42/93/11/1037429311.db2.gz YWSZXGRQPJTPCH-UHFFFAOYSA-N 1 2 332.831 3.911 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1F ZINC000491406928 1037447500 /nfs/dbraw/zinc/44/75/00/1037447500.db2.gz PDQSSRBLMIYXOS-GOSISDBHSA-N 1 2 340.789 3.524 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(SC)c1 ZINC000491286543 1037506096 /nfs/dbraw/zinc/50/60/96/1037506096.db2.gz WWVKGQXMCPISCF-UHFFFAOYSA-N 1 2 330.453 3.671 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(SC)c1 ZINC000491286543 1037506105 /nfs/dbraw/zinc/50/61/05/1037506105.db2.gz WWVKGQXMCPISCF-UHFFFAOYSA-N 1 2 330.453 3.671 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000532501956 1037527044 /nfs/dbraw/zinc/52/70/44/1037527044.db2.gz SJBGUQZRXXMJSV-LJQANCHMSA-N 1 2 325.843 3.722 20 30 EHEDLO COc1ccc2c(c1)C[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C2 ZINC001168230751 1037815659 /nfs/dbraw/zinc/81/56/59/1037815659.db2.gz NDJUQPTUUILEKQ-SNVBAGLBSA-N 1 2 345.258 3.585 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC(C)C)CC2)c(C#N)c1C ZINC000760925332 1037819434 /nfs/dbraw/zinc/81/94/34/1037819434.db2.gz JYXUQWOXFZYMIS-AWEZNQCLSA-N 1 2 331.460 3.853 20 30 EHEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(C#N)c(C)c3)n2)c1 ZINC000488260884 1039017886 /nfs/dbraw/zinc/01/78/86/1039017886.db2.gz DJSBTEANRHIOMH-AWEZNQCLSA-N 1 2 348.406 3.776 20 30 EHEDLO C=CCCc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000337607743 1040139843 /nfs/dbraw/zinc/13/98/43/1040139843.db2.gz RBLYVSQZNMKDLQ-KRWDZBQOSA-N 1 2 338.455 3.950 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000512600316 1040250827 /nfs/dbraw/zinc/25/08/27/1040250827.db2.gz SUBXQNISZVTRPF-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000512600316 1040250831 /nfs/dbraw/zinc/25/08/31/1040250831.db2.gz SUBXQNISZVTRPF-UHFFFAOYSA-N 1 2 327.225 3.879 20 30 EHEDLO CC(C)(C#N)c1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000614182111 1040386779 /nfs/dbraw/zinc/38/67/79/1040386779.db2.gz CBVVXUBCIFWKIT-KRWDZBQOSA-N 1 2 330.378 3.589 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000364285016 1040684919 /nfs/dbraw/zinc/68/49/19/1040684919.db2.gz UIFZFFLHKIQEHD-CABCVRRESA-N 1 2 344.352 3.675 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000364285016 1040684932 /nfs/dbraw/zinc/68/49/32/1040684932.db2.gz UIFZFFLHKIQEHD-CABCVRRESA-N 1 2 344.352 3.675 20 30 EHEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000555527829 1040766603 /nfs/dbraw/zinc/76/66/03/1040766603.db2.gz SPBLICPYASUYDO-XNRPHZJLSA-N 1 2 340.345 3.651 20 30 EHEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)C1 ZINC000555527829 1040766622 /nfs/dbraw/zinc/76/66/22/1040766622.db2.gz SPBLICPYASUYDO-XNRPHZJLSA-N 1 2 340.345 3.651 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1ccccc1 ZINC000500401167 1041351944 /nfs/dbraw/zinc/35/19/44/1041351944.db2.gz UQEOSVFFSOXSPS-UHFFFAOYSA-N 1 2 340.471 3.573 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1ccccc1 ZINC000500401167 1041351958 /nfs/dbraw/zinc/35/19/58/1041351958.db2.gz UQEOSVFFSOXSPS-UHFFFAOYSA-N 1 2 340.471 3.573 20 30 EHEDLO C=CC[N@H+](Cc1ncc(Br)cc1Cl)[C@@H](C)COC ZINC000661239375 1042022185 /nfs/dbraw/zinc/02/21/85/1042022185.db2.gz KVTNDMLCIHAHHU-JTQLQIEISA-N 1 2 333.657 3.520 20 30 EHEDLO C=CC[N@@H+](Cc1ncc(Br)cc1Cl)[C@@H](C)COC ZINC000661239375 1042022188 /nfs/dbraw/zinc/02/21/88/1042022188.db2.gz KVTNDMLCIHAHHU-JTQLQIEISA-N 1 2 333.657 3.520 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccccc1Br ZINC000662081169 1042498184 /nfs/dbraw/zinc/49/81/84/1042498184.db2.gz NKKOVVGFKDMFJR-MELADBBJSA-N 1 2 349.272 3.959 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1Br ZINC000662081169 1042498192 /nfs/dbraw/zinc/49/81/92/1042498192.db2.gz NKKOVVGFKDMFJR-MELADBBJSA-N 1 2 349.272 3.959 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1Br ZINC000662083715 1042501214 /nfs/dbraw/zinc/50/12/14/1042501214.db2.gz JCELPDCCVQZGQB-BETUJISGSA-N 1 2 335.245 3.571 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1Br ZINC000662083715 1042501217 /nfs/dbraw/zinc/50/12/17/1042501217.db2.gz JCELPDCCVQZGQB-BETUJISGSA-N 1 2 335.245 3.571 20 30 EHEDLO O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)Nc1nc2ccccc2s1 ZINC000330284166 1042813322 /nfs/dbraw/zinc/81/33/22/1042813322.db2.gz XCYKEGPWHQZIKA-AWEZNQCLSA-N 1 2 345.468 3.633 20 30 EHEDLO O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)Nc1nc2ccccc2s1 ZINC000330284166 1042813326 /nfs/dbraw/zinc/81/33/26/1042813326.db2.gz XCYKEGPWHQZIKA-AWEZNQCLSA-N 1 2 345.468 3.633 20 30 EHEDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]2C ZINC000541949652 1042930730 /nfs/dbraw/zinc/93/07/30/1042930730.db2.gz ZOHNXKWSSZZNSC-LSDHHAIUSA-N 1 2 349.434 3.513 20 30 EHEDLO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]2C ZINC000541949652 1042930734 /nfs/dbraw/zinc/93/07/34/1042930734.db2.gz ZOHNXKWSSZZNSC-LSDHHAIUSA-N 1 2 349.434 3.513 20 30 EHEDLO C[C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000167123821 1043173258 /nfs/dbraw/zinc/17/32/58/1043173258.db2.gz VOLIMRKJLCJLCI-LRDDRELGSA-N 1 2 334.345 3.861 20 30 EHEDLO C=C(C)[C@H]([NH2+]Cc1ccc(OCCOC)o1)c1ccc(F)c(F)c1 ZINC000893669466 1043786584 /nfs/dbraw/zinc/78/65/84/1043786584.db2.gz XRZKRQCEIISESD-SFHVURJKSA-N 1 2 337.366 3.990 20 30 EHEDLO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccccc1C(C)(C)C#N ZINC000154413124 1125717658 /nfs/dbraw/zinc/71/76/58/1125717658.db2.gz RIRLVXZRMCSUJD-UHFFFAOYSA-N 1 2 347.422 3.565 20 30 EHEDLO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccccc1C(C)(C)C#N ZINC000154413124 1125717662 /nfs/dbraw/zinc/71/76/62/1125717662.db2.gz RIRLVXZRMCSUJD-UHFFFAOYSA-N 1 2 347.422 3.565 20 30 EHEDLO C=CCCCCCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000654464658 1127454121 /nfs/dbraw/zinc/45/41/21/1127454121.db2.gz FMBMTKRBWOTTOT-GOSISDBHSA-N 1 2 340.471 3.750 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764916443 1127551261 /nfs/dbraw/zinc/55/12/61/1127551261.db2.gz UZBYITKEYSLKMY-INIZCTEOSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCC[C@H]2C(C)C)c1=S ZINC000764916443 1127551263 /nfs/dbraw/zinc/55/12/63/1127551263.db2.gz UZBYITKEYSLKMY-INIZCTEOSA-N 1 2 343.500 3.740 20 30 EHEDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075612124 1127992412 /nfs/dbraw/zinc/99/24/12/1127992412.db2.gz BLCULUPGMFWPBF-GFCCVEGCSA-N 1 2 336.420 3.789 20 30 EHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075612124 1127992416 /nfs/dbraw/zinc/99/24/16/1127992416.db2.gz BLCULUPGMFWPBF-GFCCVEGCSA-N 1 2 336.420 3.789 20 30 EHEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921658808 1128439310 /nfs/dbraw/zinc/43/93/10/1128439310.db2.gz CXBAHAJMTVUBFP-IBGZPJMESA-N 1 2 327.428 3.861 20 30 EHEDLO N#Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)c2ccccc2n1 ZINC000301329806 1128584911 /nfs/dbraw/zinc/58/49/11/1128584911.db2.gz DFCPHQXNLWXNKQ-UHFFFAOYSA-N 1 2 339.402 3.963 20 30 EHEDLO Cc1c(Cl)cccc1N[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000915050739 1121144182 /nfs/dbraw/zinc/14/41/82/1121144182.db2.gz AKSJJJIBRQFKGG-UHFFFAOYSA-N 1 2 335.860 3.993 20 30 EHEDLO COc1ccc(-c2cnc(C[N@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000065281197 1129028686 /nfs/dbraw/zinc/02/86/86/1129028686.db2.gz XVADZKDAKLUUEN-UHFFFAOYSA-N 1 2 333.391 3.854 20 30 EHEDLO COc1ccc(-c2cnc(C[N@@H+](C)Cc3cccc(C#N)c3)o2)cc1 ZINC000065281197 1129028691 /nfs/dbraw/zinc/02/86/91/1129028691.db2.gz XVADZKDAKLUUEN-UHFFFAOYSA-N 1 2 333.391 3.854 20 30 EHEDLO Clc1cccc(N2CCCC2)c1C=[NH+]Nc1ccncc1Cl ZINC000763357896 1122064757 /nfs/dbraw/zinc/06/47/57/1122064757.db2.gz KKIRCNGNSPRYPG-UHFFFAOYSA-N 1 2 335.238 3.857 20 30 EHEDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000497234539 1122391055 /nfs/dbraw/zinc/39/10/55/1122391055.db2.gz YHGMXVGYCSRNFV-UHFFFAOYSA-N 1 2 347.434 3.529 20 30 EHEDLO CC[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000917103821 1122501657 /nfs/dbraw/zinc/50/16/57/1122501657.db2.gz RGDAUGBWUCKLTQ-KBPBESRZSA-N 1 2 327.453 3.595 20 30 EHEDLO O=c1[nH]c2ccccc2cc1C=NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920387086 1123363398 /nfs/dbraw/zinc/36/33/98/1123363398.db2.gz KREUJNGHBJKKOG-FSJBWODESA-N 1 2 346.365 3.884 20 30 EHEDLO O=C1c2ccc(Br)cc2C/C1=C\c1c[nH+]c2ccccn12 ZINC000130824220 1123949709 /nfs/dbraw/zinc/94/97/09/1123949709.db2.gz XUCCKKWCSXONGF-FMIVXFBMSA-N 1 2 339.192 3.919 20 30 EHEDLO FC(F)(F)COCC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618615352 1125134740 /nfs/dbraw/zinc/13/47/40/1125134740.db2.gz NYYZEPQVESMGGW-YUMQZZPRSA-N 1 2 347.221 3.628 20 30 EHEDLO C[C@H](C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000785463663 1129266611 /nfs/dbraw/zinc/26/66/11/1129266611.db2.gz TUWGHDKARVHMST-BPQIPLTHSA-N 1 2 343.471 3.671 20 30 EHEDLO C[C@H](C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000785463663 1129266614 /nfs/dbraw/zinc/26/66/14/1129266614.db2.gz TUWGHDKARVHMST-BPQIPLTHSA-N 1 2 343.471 3.671 20 30 EHEDLO C=CCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1OC ZINC000922527892 1129563188 /nfs/dbraw/zinc/56/31/88/1129563188.db2.gz ZWLYUYSZTBUEMN-OXQOHEQNSA-N 1 2 343.398 3.821 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1F ZINC000391861366 1129689419 /nfs/dbraw/zinc/68/94/19/1129689419.db2.gz WUAUHCVPVWWUGN-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO C=CC[N@H+](Cc1ccc(C2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000676307375 1130557265 /nfs/dbraw/zinc/55/72/65/1130557265.db2.gz VTYNBZNXCHCINM-IBGZPJMESA-N 1 2 333.497 3.519 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(C2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000676307375 1130557266 /nfs/dbraw/zinc/55/72/66/1130557266.db2.gz VTYNBZNXCHCINM-IBGZPJMESA-N 1 2 333.497 3.519 20 30 EHEDLO C[C@@H]1CCCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734001370 1131181111 /nfs/dbraw/zinc/18/11/11/1131181111.db2.gz CDMHIKWGOLZLRY-ZIAGYGMSSA-N 1 2 327.453 3.737 20 30 EHEDLO C[C@@H]1CCCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734001370 1131181114 /nfs/dbraw/zinc/18/11/14/1131181114.db2.gz CDMHIKWGOLZLRY-ZIAGYGMSSA-N 1 2 327.453 3.737 20 30 EHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc2c(c1)OCCO2 ZINC000737444213 1131640577 /nfs/dbraw/zinc/64/05/77/1131640577.db2.gz PIMFHIBGQNJUFH-ONEGZZNKSA-N 1 2 340.766 3.655 20 30 EHEDLO CCCCCCC[C@H](CCC)[NH2+][C@@H](CC(N)=O)C(=O)OC(C)(C)C ZINC001172500600 1131760350 /nfs/dbraw/zinc/76/03/50/1131760350.db2.gz AWJLSMPHKPRHRR-HOTGVXAUSA-N 1 2 342.524 3.691 20 30 EHEDLO CCCCCCC[C@@H](CCC)[NH2+][C@@H](Cc1cncn1C)C(=O)OC ZINC001172507872 1131763549 /nfs/dbraw/zinc/76/35/49/1131763549.db2.gz CHYXCEJRZBHOFI-AEFFLSMTSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCC[C@@H](CCC)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172507872 1131763556 /nfs/dbraw/zinc/76/35/56/1131763556.db2.gz CHYXCEJRZBHOFI-AEFFLSMTSA-N 1 2 337.508 3.623 20 30 EHEDLO N#CC1([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCCC1 ZINC001172997007 1131932825 /nfs/dbraw/zinc/93/28/25/1131932825.db2.gz MVRPENAGGXPIPA-UHFFFAOYSA-N 1 2 343.446 3.636 20 30 EHEDLO COc1ccccc1[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1nnc(C)o1 ZINC001173594010 1132099759 /nfs/dbraw/zinc/09/97/59/1132099759.db2.gz ZORMWBCOALVSSL-LTCLLZNKSA-N 1 2 340.427 3.538 20 30 EHEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC2(CCc3ccccc32)CC1)C(=O)OCC ZINC001173690082 1132125908 /nfs/dbraw/zinc/12/59/08/1132125908.db2.gz WVXKKNJDESAZLS-HVANQTDBSA-N 1 2 339.479 3.911 20 30 EHEDLO COc1nc(C)cc(C)c1C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001174900162 1132498537 /nfs/dbraw/zinc/49/85/37/1132498537.db2.gz XFAFFGUOMWKGFZ-UHFFFAOYSA-N 1 2 328.843 3.844 20 30 EHEDLO COc1nc(C)cc(C)c1C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001174900162 1132498543 /nfs/dbraw/zinc/49/85/43/1132498543.db2.gz XFAFFGUOMWKGFZ-UHFFFAOYSA-N 1 2 328.843 3.844 20 30 EHEDLO N#CCc1ccc[nH+]c1NCc1ccc(Br)c(Cl)n1 ZINC001169818514 1132867578 /nfs/dbraw/zinc/86/75/78/1132867578.db2.gz DRAIQYNZAYYDHN-UHFFFAOYSA-N 1 2 337.608 3.571 20 30 EHEDLO C#CCCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000766914090 1132913341 /nfs/dbraw/zinc/91/33/41/1132913341.db2.gz UQTPSEVHSCEGPE-UHFFFAOYSA-N 1 2 342.389 3.819 20 30 EHEDLO C#CCCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000766914090 1132913344 /nfs/dbraw/zinc/91/33/44/1132913344.db2.gz UQTPSEVHSCEGPE-UHFFFAOYSA-N 1 2 342.389 3.819 20 30 EHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc2[nH+]ccn21 ZINC000770059047 1133377613 /nfs/dbraw/zinc/37/76/13/1133377613.db2.gz UDAFYRXYWXWYTH-UHFFFAOYSA-N 1 2 331.828 3.878 20 30 EHEDLO CCCCCCC[C@H](C)C(=O)Nc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001181111332 1133452593 /nfs/dbraw/zinc/45/25/93/1133452593.db2.gz BAKBNARNMJIIOA-LBPRGKRZSA-N 1 2 346.431 3.680 20 30 EHEDLO N#Cc1ccc(NN=Cc2cccc3[nH+]ccn32)cc1C(F)(F)F ZINC000771101361 1133510090 /nfs/dbraw/zinc/51/00/90/1133510090.db2.gz SJXNGDYMTWTBSF-UHFFFAOYSA-N 1 2 329.285 3.671 20 30 EHEDLO C[N@H+](Cc1ccccc1)[C@@H](C(=O)NC1=CC(=O)CCC1)c1ccccc1 ZINC001182242693 1133606936 /nfs/dbraw/zinc/60/69/36/1133606936.db2.gz BOYYKKKXKWDXIE-OAQYLSRUSA-N 1 2 348.446 3.613 20 30 EHEDLO C[N@@H+](Cc1ccccc1)[C@@H](C(=O)NC1=CC(=O)CCC1)c1ccccc1 ZINC001182242693 1133606940 /nfs/dbraw/zinc/60/69/40/1133606940.db2.gz BOYYKKKXKWDXIE-OAQYLSRUSA-N 1 2 348.446 3.613 20 30 EHEDLO CC#CCCCCCCCC(=O)NCCSCc1[nH]c[nH+]c1C ZINC001182770592 1133731722 /nfs/dbraw/zinc/73/17/22/1133731722.db2.gz QEVMWOJFZNBJHC-UHFFFAOYSA-N 1 2 335.517 3.822 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183017844 1133761240 /nfs/dbraw/zinc/76/12/40/1133761240.db2.gz AYJWGRLGUGCIRD-OAHLLOKOSA-N 1 2 330.391 3.543 20 30 EHEDLO C#CCC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCC1 ZINC000788153807 1134089737 /nfs/dbraw/zinc/08/97/37/1134089737.db2.gz AIRTYUNTRWFRJF-UHFFFAOYSA-N 1 2 335.451 3.521 20 30 EHEDLO COc1ncc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cc1Cl ZINC000789156983 1134231791 /nfs/dbraw/zinc/23/17/91/1134231791.db2.gz UHWHBAAZFFEJIQ-NSCUHMNNSA-N 1 2 345.811 3.887 20 30 EHEDLO C[NH+](C)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000746816772 1134274455 /nfs/dbraw/zinc/27/44/55/1134274455.db2.gz UJPGQCGRBYQSQF-MWJIIQFGSA-N 1 2 347.802 3.676 20 30 EHEDLO CC(C)[C@H](C(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)[NH+](C)C ZINC000789801181 1134336341 /nfs/dbraw/zinc/33/63/41/1134336341.db2.gz OJPLFYPJIXBFSG-SMDDNHRTSA-N 1 2 335.860 3.712 20 30 EHEDLO CCCCCCCCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001188020715 1134417370 /nfs/dbraw/zinc/41/73/70/1134417370.db2.gz DRWCWOHYINGFCL-UHFFFAOYSA-N 1 2 349.500 3.652 20 30 EHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC001190707837 1134735422 /nfs/dbraw/zinc/73/54/22/1134735422.db2.gz OTAYAXRPGQOLEX-UHFFFAOYSA-N 1 2 347.393 3.624 20 30 EHEDLO CCCCCCCNC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001191091682 1134800775 /nfs/dbraw/zinc/80/07/75/1134800775.db2.gz RVEUMDZNOJXUEJ-UHFFFAOYSA-N 1 2 332.492 3.609 20 30 EHEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000793043296 1134841318 /nfs/dbraw/zinc/84/13/18/1134841318.db2.gz LLDVYUHYSVBCKK-FQEVSTJZSA-N 1 2 344.418 3.647 20 30 EHEDLO CCc1ccc([C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)[NH+](C)C)cc1 ZINC000005292380 1134921050 /nfs/dbraw/zinc/92/10/50/1134921050.db2.gz BIUSBWIFKPMUOV-BAOGCXAUSA-N 1 2 341.411 3.585 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)c2cc(C)ccc2-c2ccc(C)cc2)CC1 ZINC001195688445 1135451071 /nfs/dbraw/zinc/45/10/71/1135451071.db2.gz OXRVKFAVZKZKHZ-UHFFFAOYSA-N 1 2 334.463 3.914 20 30 EHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1O ZINC000811698658 1136126595 /nfs/dbraw/zinc/12/65/95/1136126595.db2.gz MSLZBASPRGEABW-PLNGDYQASA-N 1 2 328.755 3.598 20 30 EHEDLO C=CCCCCCCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000811927344 1136155621 /nfs/dbraw/zinc/15/56/21/1136155621.db2.gz PUFKNYLLUIWXFK-GOSISDBHSA-N 1 2 331.460 3.771 20 30 EHEDLO C=CCOCCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000850531586 1136280029 /nfs/dbraw/zinc/28/00/29/1136280029.db2.gz MLSLIGWFDCTQIW-SNVBAGLBSA-N 1 2 332.213 3.537 20 30 EHEDLO CCCCCC[N@H+](C)CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000813212318 1136303160 /nfs/dbraw/zinc/30/31/60/1136303160.db2.gz BIWKFRDMISKCIY-AWEZNQCLSA-N 1 2 341.377 3.789 20 30 EHEDLO CCCCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000813212318 1136303163 /nfs/dbraw/zinc/30/31/63/1136303163.db2.gz BIWKFRDMISKCIY-AWEZNQCLSA-N 1 2 341.377 3.789 20 30 EHEDLO Cc1ccc([N+](=O)[O-])cc1N[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814823232 1136510434 /nfs/dbraw/zinc/51/04/34/1136510434.db2.gz TVGRFZKQQSCBEB-UHFFFAOYSA-N 1 2 340.383 3.863 20 30 EHEDLO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC001138006955 1136515666 /nfs/dbraw/zinc/51/56/66/1136515666.db2.gz OWEKWQYNQSFSMX-GFCCVEGCSA-N 1 2 345.258 3.591 20 30 EHEDLO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C(F)(F)F)c2F)C1 ZINC001138006955 1136515669 /nfs/dbraw/zinc/51/56/69/1136515669.db2.gz OWEKWQYNQSFSMX-GFCCVEGCSA-N 1 2 345.258 3.591 20 30 EHEDLO CCC(=[NH+]Nc1cccc(C(=O)OC)c1)c1ccc(Cl)c(N)c1 ZINC000814901115 1136522174 /nfs/dbraw/zinc/52/21/74/1136522174.db2.gz YUCZABHIDGOHKI-UHFFFAOYSA-N 1 2 331.803 3.935 20 30 EHEDLO CC(=[NH+]Nc1ccc2c(cc[nH]c2=O)c1)c1ccc(Cl)c(N)c1 ZINC000814924260 1136524984 /nfs/dbraw/zinc/52/49/84/1136524984.db2.gz IYFMOGKJHOPDMN-UHFFFAOYSA-N 1 2 326.787 3.600 20 30 EHEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)C3(CCCC3)[C@H]2c2ccccc2)C1 ZINC000853523058 1136540223 /nfs/dbraw/zinc/54/02/23/1136540223.db2.gz AKPJIESWDYNQES-IEBWSBKVSA-N 1 2 337.467 3.713 20 30 EHEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)C3(CCCC3)[C@H]2c2ccccc2)C1 ZINC000853523058 1136540224 /nfs/dbraw/zinc/54/02/24/1136540224.db2.gz AKPJIESWDYNQES-IEBWSBKVSA-N 1 2 337.467 3.713 20 30 EHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOCC34CC4)c2)c1 ZINC000338996814 1136791603 /nfs/dbraw/zinc/79/16/03/1136791603.db2.gz HUEVRZARHUFMGB-UHFFFAOYSA-N 1 2 334.419 3.502 20 30 EHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOCC34CC4)c2)c1 ZINC000338996814 1136791604 /nfs/dbraw/zinc/79/16/04/1136791604.db2.gz HUEVRZARHUFMGB-UHFFFAOYSA-N 1 2 334.419 3.502 20 30 EHEDLO COC(=O)c1cc(N[NH+]=C2CCCCc3ccc(N)cc32)ccc1F ZINC000817330345 1136798686 /nfs/dbraw/zinc/79/86/86/1136798686.db2.gz KRWQOYNHMGRYBZ-UHFFFAOYSA-N 1 2 341.386 3.737 20 30 EHEDLO N#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1c(Cl)cccc1Cl ZINC000777102135 1137011043 /nfs/dbraw/zinc/01/10/43/1137011043.db2.gz LQEBXDHAPSTNMC-GFCCVEGCSA-N 1 2 345.189 3.636 20 30 EHEDLO Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)nc1 ZINC001143732936 1137193121 /nfs/dbraw/zinc/19/31/21/1137193121.db2.gz YPNYLYMVJHHWNT-OAHLLOKOSA-N 1 2 327.815 3.568 20 30 EHEDLO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C2)nc1 ZINC001143732936 1137193122 /nfs/dbraw/zinc/19/31/22/1137193122.db2.gz YPNYLYMVJHHWNT-OAHLLOKOSA-N 1 2 327.815 3.568 20 30 EHEDLO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143722900 1137194033 /nfs/dbraw/zinc/19/40/33/1137194033.db2.gz KURHIGVBTMYSKX-IBGZPJMESA-N 1 2 345.874 3.579 20 30 EHEDLO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143722900 1137194035 /nfs/dbraw/zinc/19/40/35/1137194035.db2.gz KURHIGVBTMYSKX-IBGZPJMESA-N 1 2 345.874 3.579 20 30 EHEDLO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143731837 1137194850 /nfs/dbraw/zinc/19/48/50/1137194850.db2.gz DXGNLXSXBBIAHZ-MRXNPFEDSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)c1 ZINC001143731837 1137194852 /nfs/dbraw/zinc/19/48/52/1137194852.db2.gz DXGNLXSXBBIAHZ-MRXNPFEDSA-N 1 2 341.842 3.959 20 30 EHEDLO CCCCc1nc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000844366736 1137215947 /nfs/dbraw/zinc/21/59/47/1137215947.db2.gz KIVDJYYSQFORRE-QGZVFWFLSA-N 1 2 329.469 3.523 20 30 EHEDLO CCCCc1nc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000844366736 1137215948 /nfs/dbraw/zinc/21/59/48/1137215948.db2.gz KIVDJYYSQFORRE-QGZVFWFLSA-N 1 2 329.469 3.523 20 30 EHEDLO C=CC[C@@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001144026926 1137230206 /nfs/dbraw/zinc/23/02/06/1137230206.db2.gz MHVOWPUMRXJULD-IAQYHMDHSA-N 1 2 329.271 3.925 20 30 EHEDLO N#CCC[N@@H+](Cc1cc(Br)c(F)cc1O)C1CCCC1 ZINC001144299721 1137268761 /nfs/dbraw/zinc/26/87/61/1137268761.db2.gz HIOQBNHMUUUUFL-UHFFFAOYSA-N 1 2 341.224 3.952 20 30 EHEDLO N#CCC[N@H+](Cc1cc(Br)c(F)cc1O)C1CCCC1 ZINC001144299721 1137268763 /nfs/dbraw/zinc/26/87/63/1137268763.db2.gz HIOQBNHMUUUUFL-UHFFFAOYSA-N 1 2 341.224 3.952 20 30 EHEDLO CC(C)C[C@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC001171182874 1137293733 /nfs/dbraw/zinc/29/37/33/1137293733.db2.gz ZMAVERXHXRUGDG-YJBOKZPZSA-N 1 2 330.472 3.835 20 30 EHEDLO FC[C@@H]1C[N@H+](Cc2cccnc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC001144521086 1137303009 /nfs/dbraw/zinc/30/30/09/1137303009.db2.gz OHKNAAXWGPUGSL-NXEZZACHSA-N 1 2 330.247 3.680 20 30 EHEDLO FC[C@@H]1C[N@@H+](Cc2cccnc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC001144521086 1137303011 /nfs/dbraw/zinc/30/30/11/1137303011.db2.gz OHKNAAXWGPUGSL-NXEZZACHSA-N 1 2 330.247 3.680 20 30 EHEDLO N#Cc1ccccc1OC1CC[NH+](Cc2c(F)cc(O)cc2F)CC1 ZINC001144559916 1137309635 /nfs/dbraw/zinc/30/96/35/1137309635.db2.gz RMXWIDHSCJVZEP-UHFFFAOYSA-N 1 2 344.361 3.585 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794896603 1137328138 /nfs/dbraw/zinc/32/81/38/1137328138.db2.gz BMJTZPUARTZBTF-GOSISDBHSA-N 1 2 346.475 3.669 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c1=S ZINC000794896603 1137328140 /nfs/dbraw/zinc/32/81/40/1137328140.db2.gz BMJTZPUARTZBTF-GOSISDBHSA-N 1 2 346.475 3.669 20 30 EHEDLO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cccc(C#N)c1O ZINC000866222671 1137336331 /nfs/dbraw/zinc/33/63/31/1137336331.db2.gz PIFWOELXWOYZQZ-AWEZNQCLSA-N 1 2 349.434 3.853 20 30 EHEDLO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866234597 1137337327 /nfs/dbraw/zinc/33/73/27/1137337327.db2.gz OPKSQDYGPSVDNZ-AWEZNQCLSA-N 1 2 337.423 3.853 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)c1 ZINC000866298354 1137343566 /nfs/dbraw/zinc/34/35/66/1137343566.db2.gz YBWKHLDMPXDYIN-MOXGXCLJSA-N 1 2 340.398 3.929 20 30 EHEDLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229072 1137354153 /nfs/dbraw/zinc/35/41/53/1137354153.db2.gz KKFBCNZCLGMZKG-HNNXBMFYSA-N 1 2 342.464 3.616 20 30 EHEDLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229072 1137354154 /nfs/dbraw/zinc/35/41/54/1137354154.db2.gz KKFBCNZCLGMZKG-HNNXBMFYSA-N 1 2 342.464 3.616 20 30 EHEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000867628141 1137382901 /nfs/dbraw/zinc/38/29/01/1137382901.db2.gz QGZIZIRMSTWFEC-UHFFFAOYSA-N 1 2 349.843 3.602 20 30 EHEDLO C#C[C@H]1CCC[N@@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000847023922 1137383275 /nfs/dbraw/zinc/38/32/75/1137383275.db2.gz PFLUBCNHWPHNAV-INIZCTEOSA-N 1 2 326.465 3.876 20 30 EHEDLO C#C[C@H]1CCC[N@H+](Cc2csc(COc3ccc(C)cc3)n2)C1 ZINC000847023922 1137383276 /nfs/dbraw/zinc/38/32/76/1137383276.db2.gz PFLUBCNHWPHNAV-INIZCTEOSA-N 1 2 326.465 3.876 20 30 EHEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000847028878 1137383444 /nfs/dbraw/zinc/38/34/44/1137383444.db2.gz IYYMJDVXAXQGHR-HOTGVXAUSA-N 1 2 345.512 3.543 20 30 EHEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)C1 ZINC000847028878 1137383446 /nfs/dbraw/zinc/38/34/46/1137383446.db2.gz IYYMJDVXAXQGHR-HOTGVXAUSA-N 1 2 345.512 3.543 20 30 EHEDLO C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001148616764 1137429628 /nfs/dbraw/zinc/42/96/28/1137429628.db2.gz AWLOJJCWVQRSIN-HNNXBMFYSA-N 1 2 330.391 3.811 20 30 EHEDLO N#CCC[N@H+](Cc1cccnc1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171533353 1137493898 /nfs/dbraw/zinc/49/38/98/1137493898.db2.gz LJHFJOVKZDWXDM-HNNXBMFYSA-N 1 2 345.368 3.772 20 30 EHEDLO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171533353 1137493899 /nfs/dbraw/zinc/49/38/99/1137493899.db2.gz LJHFJOVKZDWXDM-HNNXBMFYSA-N 1 2 345.368 3.772 20 30 EHEDLO CCC[C@](C)(C#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172092542 1137532294 /nfs/dbraw/zinc/53/22/94/1137532294.db2.gz YEGKFLWKDVMSNZ-OAFZBRQQSA-N 1 2 335.492 3.979 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000877571052 1137681515 /nfs/dbraw/zinc/68/15/15/1137681515.db2.gz RAGDETQOGHMONR-LBPRGKRZSA-N 1 2 337.732 3.801 20 30 EHEDLO C=C(Cl)C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000877671100 1137685168 /nfs/dbraw/zinc/68/51/68/1137685168.db2.gz FOSMDVIFEXPXIV-TUAOUCFPSA-N 1 2 327.774 3.771 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(Cc3nccs3)CC2)c1 ZINC000877673272 1137685349 /nfs/dbraw/zinc/68/53/49/1137685349.db2.gz FQXRJTBHRYWNFR-UHFFFAOYSA-N 1 2 332.860 3.518 20 30 EHEDLO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878661108 1137724213 /nfs/dbraw/zinc/72/42/13/1137724213.db2.gz XBIAOPQBKJRBIJ-FQEVSTJZSA-N 1 2 335.407 3.790 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000127925512 1137755068 /nfs/dbraw/zinc/75/50/68/1137755068.db2.gz PXGOUSQHNDVNEE-AZUAARDMSA-N 1 2 346.434 3.970 20 30 EHEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000121213435 1137955924 /nfs/dbraw/zinc/95/59/24/1137955924.db2.gz CFNMKTCVUIGOKP-CQSZACIVSA-N 1 2 345.493 3.605 20 30 EHEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000121213435 1137955925 /nfs/dbraw/zinc/95/59/25/1137955925.db2.gz CFNMKTCVUIGOKP-CQSZACIVSA-N 1 2 345.493 3.605 20 30 EHEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158236 1138054157 /nfs/dbraw/zinc/05/41/57/1138054157.db2.gz UXKFGFWPLYEBFS-JLSDUUJJSA-N 1 2 348.874 3.547 20 30 EHEDLO C[C@@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886158236 1138054159 /nfs/dbraw/zinc/05/41/59/1138054159.db2.gz UXKFGFWPLYEBFS-JLSDUUJJSA-N 1 2 348.874 3.547 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1scnc1C ZINC000066564315 1138076111 /nfs/dbraw/zinc/07/61/11/1138076111.db2.gz HBWJRZDTKNAJPJ-AWEZNQCLSA-N 1 2 349.525 3.548 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1scnc1C ZINC000066564315 1138076113 /nfs/dbraw/zinc/07/61/13/1138076113.db2.gz HBWJRZDTKNAJPJ-AWEZNQCLSA-N 1 2 349.525 3.548 20 30 EHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072722749 1138107503 /nfs/dbraw/zinc/10/75/03/1138107503.db2.gz SOLJYTZBJYPZHM-LRDDRELGSA-N 1 2 343.427 3.780 20 30 EHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000072722749 1138107504 /nfs/dbraw/zinc/10/75/04/1138107504.db2.gz SOLJYTZBJYPZHM-LRDDRELGSA-N 1 2 343.427 3.780 20 30 EHEDLO CSc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cc1C#N ZINC000886690050 1138116127 /nfs/dbraw/zinc/11/61/27/1138116127.db2.gz NOUJSXJRPCWEKS-CRAIPNDOSA-N 1 2 328.412 3.842 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337055327 1138457140 /nfs/dbraw/zinc/45/71/40/1138457140.db2.gz BOKFKFCYKHSIMU-UHFFFAOYSA-N 1 2 337.448 3.821 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccncc1F ZINC000338358760 1138853767 /nfs/dbraw/zinc/85/37/67/1138853767.db2.gz TZZHLODKDPEBPH-SNVBAGLBSA-N 1 2 334.192 3.706 20 30 EHEDLO C=CC[C@H]1CCCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000890243446 1139329349 /nfs/dbraw/zinc/32/93/49/1139329349.db2.gz MEXQALGDMLVQAK-HKUYNNGSSA-N 1 2 338.455 3.622 20 30 EHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000175409178 1139489231 /nfs/dbraw/zinc/48/92/31/1139489231.db2.gz FTIYASXCZQUGPK-JCQPUDPBSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000175409178 1139489233 /nfs/dbraw/zinc/48/92/33/1139489233.db2.gz FTIYASXCZQUGPK-JCQPUDPBSA-N 1 2 330.428 3.628 20 30 EHEDLO C=CCn1c(SCCCn2cc[nH+]c2)nnc1-c1ccccc1C ZINC000185621148 1140159478 /nfs/dbraw/zinc/15/94/78/1140159478.db2.gz VKSHRGAGVSWKLU-UHFFFAOYSA-N 1 2 339.468 3.818 20 30 EHEDLO Oc1cc(F)cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000186234731 1140193545 /nfs/dbraw/zinc/19/35/45/1140193545.db2.gz FNLFNVSGRLBOMD-UHFFFAOYSA-N 1 2 331.231 3.848 20 30 EHEDLO Oc1cc(F)cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000186234731 1140193548 /nfs/dbraw/zinc/19/35/48/1140193548.db2.gz FNLFNVSGRLBOMD-UHFFFAOYSA-N 1 2 331.231 3.848 20 30 EHEDLO CC(C)[C@@H](Cc1ccccc1)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000777447870 1140315732 /nfs/dbraw/zinc/31/57/32/1140315732.db2.gz KITWZWJHVYMRHC-HXUWFJFHSA-N 1 2 336.483 3.895 20 30 EHEDLO C[C@H](c1ccsc1)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000274137588 1141478586 /nfs/dbraw/zinc/47/85/86/1141478586.db2.gz GFAVFPGHFVVUBL-MRXNPFEDSA-N 1 2 341.480 3.529 20 30 EHEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000225536682 564081796 /nfs/dbraw/zinc/08/17/96/564081796.db2.gz KGWKEBYMPGKMLR-CQSZACIVSA-N 1 2 334.345 3.680 20 30 EHEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000225536682 564081797 /nfs/dbraw/zinc/08/17/97/564081797.db2.gz KGWKEBYMPGKMLR-CQSZACIVSA-N 1 2 334.345 3.680 20 30 EHEDLO C=CC[NH+]1CCN(C(F)(F)c2ccc3c(Cl)nccc3c2)CC1 ZINC001165035943 721871886 /nfs/dbraw/zinc/87/18/86/721871886.db2.gz YNZAGIIJOQVELR-UHFFFAOYSA-N 1 2 337.801 3.741 20 30 EHEDLO N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000127068217 1015233717 /nfs/dbraw/zinc/23/37/17/1015233717.db2.gz SSUXTIJKUINFLU-CQSZACIVSA-N 1 2 333.313 3.630 20 30 EHEDLO Cc1cccn2c(/C=C\C(=O)c3ncc(Br)s3)c[nH+]c12 ZINC000254972131 1015294454 /nfs/dbraw/zinc/29/44/54/1015294454.db2.gz KOHSAZPZYZTYIS-PLNGDYQASA-N 1 2 348.225 3.758 20 30 EHEDLO COc1ccc(CNc2[nH+]c3cc(Cl)ccc3n2C)cc1C#N ZINC000134429499 1015523468 /nfs/dbraw/zinc/52/34/68/1015523468.db2.gz HZACCOOVEDGZLV-UHFFFAOYSA-N 1 2 326.787 3.719 20 30 EHEDLO CC[C@@H](C[N@H+](CCC#N)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001209453382 1016310904 /nfs/dbraw/zinc/31/09/04/1016310904.db2.gz GXHRCGZNMPPLLI-KRWDZBQOSA-N 1 2 331.460 3.706 20 30 EHEDLO CC[C@@H](C[N@@H+](CCC#N)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001209453382 1016310912 /nfs/dbraw/zinc/31/09/12/1016310912.db2.gz GXHRCGZNMPPLLI-KRWDZBQOSA-N 1 2 331.460 3.706 20 30 EHEDLO C=C[C@H](CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000340160148 1016532755 /nfs/dbraw/zinc/53/27/55/1016532755.db2.gz MCFIFNKKOUBVDL-GOSISDBHSA-N 1 2 331.419 3.848 20 30 EHEDLO C#C[C@@H](C)OC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000780385572 1017032907 /nfs/dbraw/zinc/03/29/07/1017032907.db2.gz ROXORQDAAFBNQA-DOMZBBRYSA-N 1 2 327.346 3.653 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CCC1(F)F ZINC000289886814 1032571801 /nfs/dbraw/zinc/57/18/01/1032571801.db2.gz RRVDHZHSTHRUDL-SNVBAGLBSA-N 1 2 329.188 3.798 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCC1(F)F ZINC000289886814 1032571804 /nfs/dbraw/zinc/57/18/04/1032571804.db2.gz RRVDHZHSTHRUDL-SNVBAGLBSA-N 1 2 329.188 3.798 20 30 EHEDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000341033448 1017922685 /nfs/dbraw/zinc/92/26/85/1017922685.db2.gz LXQSQPFSTKEZTR-AWEZNQCLSA-N 1 2 348.406 3.776 20 30 EHEDLO CC(C)Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cn1 ZINC000897597006 1032890498 /nfs/dbraw/zinc/89/04/98/1032890498.db2.gz YJZJEOCXZDLXJA-OAQYLSRUSA-N 1 2 335.451 3.725 20 30 EHEDLO CC(C)Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cn1 ZINC000897597006 1032890510 /nfs/dbraw/zinc/89/05/10/1032890510.db2.gz YJZJEOCXZDLXJA-OAQYLSRUSA-N 1 2 335.451 3.725 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000606919640 1032906033 /nfs/dbraw/zinc/90/60/33/1032906033.db2.gz CLMXUZPGWCFWKG-UHFFFAOYSA-N 1 2 340.471 3.819 20 30 EHEDLO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1nc(C(F)(F)F)cs1 ZINC000602558444 1032970000 /nfs/dbraw/zinc/97/00/00/1032970000.db2.gz AIXZHJPPKYAMJH-NSHDSACASA-N 1 2 326.347 3.669 20 30 EHEDLO CC1(C#N)CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000507706921 1021461746 /nfs/dbraw/zinc/46/17/46/1021461746.db2.gz HUOAXIGUJATRKH-UHFFFAOYSA-N 1 2 342.424 3.844 20 30 EHEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)oc1CC)Cc1cccc(C#N)c1 ZINC000426415133 1021522901 /nfs/dbraw/zinc/52/29/01/1021522901.db2.gz BYSHKPADUJNTDU-UHFFFAOYSA-N 1 2 338.407 3.688 20 30 EHEDLO C=CC[N@H+](Cc1cc(C(=O)OC)oc1CC)Cc1cccc(C#N)c1 ZINC000426415133 1021522913 /nfs/dbraw/zinc/52/29/13/1021522913.db2.gz BYSHKPADUJNTDU-UHFFFAOYSA-N 1 2 338.407 3.688 20 30 EHEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccc(Cl)cc1 ZINC000439547048 1021534307 /nfs/dbraw/zinc/53/43/07/1021534307.db2.gz WIHPYWMQULFRJN-UHFFFAOYSA-N 1 2 345.859 3.810 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891509440 1021791975 /nfs/dbraw/zinc/79/19/75/1021791975.db2.gz ORRMAFIEAMKXQW-UHFFFAOYSA-N 1 2 334.397 3.559 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891509440 1021791990 /nfs/dbraw/zinc/79/19/90/1021791990.db2.gz ORRMAFIEAMKXQW-UHFFFAOYSA-N 1 2 334.397 3.559 20 30 EHEDLO C=CCc1cc(C[N@@H+]2CCOc3ccc(F)cc3C2)cc(OC)c1O ZINC000426520279 1021795855 /nfs/dbraw/zinc/79/58/55/1021795855.db2.gz COFICQCBFRJSHO-UHFFFAOYSA-N 1 2 343.398 3.663 20 30 EHEDLO C=CCc1cc(C[N@H+]2CCOc3ccc(F)cc3C2)cc(OC)c1O ZINC000426520279 1021795868 /nfs/dbraw/zinc/79/58/68/1021795868.db2.gz COFICQCBFRJSHO-UHFFFAOYSA-N 1 2 343.398 3.663 20 30 EHEDLO N#Cc1cccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000602633103 1033044995 /nfs/dbraw/zinc/04/49/95/1033044995.db2.gz KWKHUGXYAPKDCF-UHFFFAOYSA-N 1 2 329.407 3.765 20 30 EHEDLO C=CCCC1(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000476206871 1033048422 /nfs/dbraw/zinc/04/84/22/1033048422.db2.gz NDKIFYNCTYARCF-UHFFFAOYSA-N 1 2 341.499 3.893 20 30 EHEDLO C#C[C@H]([NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCO1 ZINC000926211497 1022400824 /nfs/dbraw/zinc/40/08/24/1022400824.db2.gz VJXARJOHJUOBIB-TVYUQYBPSA-N 1 2 332.753 3.585 20 30 EHEDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566358 1022475770 /nfs/dbraw/zinc/47/57/70/1022475770.db2.gz SFQMHGFQCCQZGO-MGPUTAFESA-N 1 2 341.405 3.908 20 30 EHEDLO C[N@@H+]1CCc2nc(NC(=O)c3coc(C4CCCCC4)n3)sc2C1 ZINC000328732286 1022490271 /nfs/dbraw/zinc/49/02/71/1022490271.db2.gz HBJKHCXTVPRREH-UHFFFAOYSA-N 1 2 346.456 3.803 20 30 EHEDLO C[N@H+]1CCc2nc(NC(=O)c3coc(C4CCCCC4)n3)sc2C1 ZINC000328732286 1022490275 /nfs/dbraw/zinc/49/02/75/1022490275.db2.gz HBJKHCXTVPRREH-UHFFFAOYSA-N 1 2 346.456 3.803 20 30 EHEDLO CC[C@H](C)[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C(F)(F)F ZINC000331329920 1022788423 /nfs/dbraw/zinc/78/84/23/1022788423.db2.gz SKHJAVABXRIELH-FQUUOJAGSA-N 1 2 346.397 3.657 20 30 EHEDLO Cc1cc(C)c(NC(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(C)[nH+]1 ZINC000331347826 1022798850 /nfs/dbraw/zinc/79/88/50/1022798850.db2.gz WUJORSOKADSDMW-OAHLLOKOSA-N 1 2 347.459 3.606 20 30 EHEDLO CCC(CC)C[N@H+](CCC#N)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000729472230 1022952300 /nfs/dbraw/zinc/95/23/00/1022952300.db2.gz XZHNTWIZJCBTDC-UHFFFAOYSA-N 1 2 329.404 3.554 20 30 EHEDLO CCC(CC)C[N@@H+](CCC#N)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000729472230 1022952304 /nfs/dbraw/zinc/95/23/04/1022952304.db2.gz XZHNTWIZJCBTDC-UHFFFAOYSA-N 1 2 329.404 3.554 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548425351 1023084314 /nfs/dbraw/zinc/08/43/14/1023084314.db2.gz ABLXSVMYRKAMCD-BETUJISGSA-N 1 2 328.460 3.513 20 30 EHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c1C#N ZINC000548425351 1023084326 /nfs/dbraw/zinc/08/43/26/1023084326.db2.gz ABLXSVMYRKAMCD-BETUJISGSA-N 1 2 328.460 3.513 20 30 EHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000441492538 1023237153 /nfs/dbraw/zinc/23/71/53/1023237153.db2.gz VSHZWLAFVHSVTN-HXUWFJFHSA-N 1 2 344.418 3.543 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000507351569 1023261655 /nfs/dbraw/zinc/26/16/55/1023261655.db2.gz DZSFYDZQYWVONO-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000507351569 1023261663 /nfs/dbraw/zinc/26/16/63/1023261663.db2.gz DZSFYDZQYWVONO-FQEVSTJZSA-N 1 2 327.399 3.964 20 30 EHEDLO C=CC[N@@H+](Cc1c(CC)nn(C)c1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000092646432 1023473114 /nfs/dbraw/zinc/47/31/14/1023473114.db2.gz BBPCPHNEDYSHPW-UHFFFAOYSA-N 1 2 342.443 3.641 20 30 EHEDLO C=CC[N@H+](Cc1c(CC)nn(C)c1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000092646432 1023473117 /nfs/dbraw/zinc/47/31/17/1023473117.db2.gz BBPCPHNEDYSHPW-UHFFFAOYSA-N 1 2 342.443 3.641 20 30 EHEDLO C=CCC[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000341935254 1023707232 /nfs/dbraw/zinc/70/72/32/1023707232.db2.gz YOAXDHZWTPGVTP-CYBMUJFWSA-N 1 2 325.334 3.972 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)cc(C#N)c2)c1C ZINC000455977658 1024022059 /nfs/dbraw/zinc/02/20/59/1024022059.db2.gz CASVBPBVDLIFPK-UHFFFAOYSA-N 1 2 338.411 3.551 20 30 EHEDLO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCCCC12CCCC2 ZINC000329815686 1024206488 /nfs/dbraw/zinc/20/64/88/1024206488.db2.gz NWUSGNRSSHTEDW-MRXNPFEDSA-N 1 2 326.444 3.841 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1F ZINC000434686743 1024296690 /nfs/dbraw/zinc/29/66/90/1024296690.db2.gz UQDANYXXYJKOMF-UHFFFAOYSA-N 1 2 338.430 3.610 20 30 EHEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1CCC1CCCCC1 ZINC000330194934 1024351301 /nfs/dbraw/zinc/35/13/01/1024351301.db2.gz OYVADXNHJBGNRK-MSOLQXFVSA-N 1 2 344.503 3.937 20 30 EHEDLO CCc1nc2cc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)ccc2o1 ZINC000330251149 1024372995 /nfs/dbraw/zinc/37/29/95/1024372995.db2.gz NIFDLCCVFAMZTG-UHFFFAOYSA-N 1 2 339.399 3.538 20 30 EHEDLO N#Cc1cccc(C2(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)CC2)c1 ZINC000435060421 1024589232 /nfs/dbraw/zinc/58/92/32/1024589232.db2.gz ZEWZLBSCGPGGFA-UHFFFAOYSA-N 1 2 346.365 3.553 20 30 EHEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1cccc2c3c([nH]c21)CCCC3 ZINC000330302048 1024595345 /nfs/dbraw/zinc/59/53/45/1024595345.db2.gz JHRPEJCDCKBYOZ-CYBMUJFWSA-N 1 2 334.423 3.563 20 30 EHEDLO C[N@H+](CCCSCC#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602894715 1033246033 /nfs/dbraw/zinc/24/60/33/1033246033.db2.gz XSHZMENJMVUSQQ-UHFFFAOYSA-N 1 2 342.390 3.660 20 30 EHEDLO C[N@@H+](CCCSCC#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602894715 1033246038 /nfs/dbraw/zinc/24/60/38/1033246038.db2.gz XSHZMENJMVUSQQ-UHFFFAOYSA-N 1 2 342.390 3.660 20 30 EHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(C#N)cs3)n2)c1 ZINC000237350148 1024952940 /nfs/dbraw/zinc/95/29/40/1024952940.db2.gz CQOYOGWZTVHNLC-LLVKDONJSA-N 1 2 340.408 3.529 20 30 EHEDLO C[N@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@@H]1CCC[C@H]1C#N ZINC000602979344 1033283120 /nfs/dbraw/zinc/28/31/20/1033283120.db2.gz CDXQSFXXVBUJDG-QFBILLFUSA-N 1 2 339.414 3.924 20 30 EHEDLO C[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@@H]1CCC[C@H]1C#N ZINC000602979344 1033283126 /nfs/dbraw/zinc/28/31/26/1033283126.db2.gz CDXQSFXXVBUJDG-QFBILLFUSA-N 1 2 339.414 3.924 20 30 EHEDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000442882824 1025563820 /nfs/dbraw/zinc/56/38/20/1025563820.db2.gz GAYAAJVUWFIIPS-VLIAUNLRSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000442882824 1025563832 /nfs/dbraw/zinc/56/38/32/1025563832.db2.gz GAYAAJVUWFIIPS-VLIAUNLRSA-N 1 2 340.398 3.668 20 30 EHEDLO CCS(=O)(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425532276 1025657689 /nfs/dbraw/zinc/65/76/89/1025657689.db2.gz IZPPQPZXAFKTEQ-OAHLLOKOSA-N 1 2 342.464 3.545 20 30 EHEDLO CCS(=O)(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425532276 1025657696 /nfs/dbraw/zinc/65/76/96/1025657696.db2.gz IZPPQPZXAFKTEQ-OAHLLOKOSA-N 1 2 342.464 3.545 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000425533778 1025662047 /nfs/dbraw/zinc/66/20/47/1025662047.db2.gz LDNHHAQXOXCKKO-HNNXBMFYSA-N 1 2 331.423 3.547 20 30 EHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nnc(-c2ccccc2)n1C ZINC000425533778 1025662057 /nfs/dbraw/zinc/66/20/57/1025662057.db2.gz LDNHHAQXOXCKKO-HNNXBMFYSA-N 1 2 331.423 3.547 20 30 EHEDLO COc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425541114 1025693846 /nfs/dbraw/zinc/69/38/46/1025693846.db2.gz PDLFWBVAIVHVOY-AWEZNQCLSA-N 1 2 348.406 3.810 20 30 EHEDLO COc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000425541114 1025693851 /nfs/dbraw/zinc/69/38/51/1025693851.db2.gz PDLFWBVAIVHVOY-AWEZNQCLSA-N 1 2 348.406 3.810 20 30 EHEDLO C=C1CC(C)(c2noc(Cn3c(C)[nH+]c4cc(F)c(F)cc43)n2)C1 ZINC000896919674 1026027920 /nfs/dbraw/zinc/02/79/20/1026027920.db2.gz XCJWELFXIWIYMZ-UHFFFAOYSA-N 1 2 330.338 3.662 20 30 EHEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)CC3CCCC3)CC2)s1 ZINC000329600629 1026055951 /nfs/dbraw/zinc/05/59/51/1026055951.db2.gz QBSRYENZXHBQCP-LBPRGKRZSA-N 1 2 336.505 3.909 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000390392718 1026100097 /nfs/dbraw/zinc/10/00/97/1026100097.db2.gz DNUYQSMQBFOGJH-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO Cc1sc2nc(C[NH+]3CCCC3)nc(SCCC#N)c2c1C ZINC000413479902 1026116037 /nfs/dbraw/zinc/11/60/37/1026116037.db2.gz ZNUJQTUBKBGVHD-UHFFFAOYSA-N 1 2 332.498 3.910 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1 ZINC000665588734 1026166813 /nfs/dbraw/zinc/16/68/13/1026166813.db2.gz BLNFHPCSHUYGPO-UHFFFAOYSA-N 1 2 330.476 3.825 20 30 EHEDLO C=CCCC1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1 ZINC000665588734 1026166819 /nfs/dbraw/zinc/16/68/19/1026166819.db2.gz BLNFHPCSHUYGPO-UHFFFAOYSA-N 1 2 330.476 3.825 20 30 EHEDLO C=CCN(Cc1ccccc1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051755715 1026633368 /nfs/dbraw/zinc/63/33/68/1026633368.db2.gz RBNPHBZOYYDZDK-UHFFFAOYSA-N 1 2 339.439 3.605 20 30 EHEDLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000582644596 1026860051 /nfs/dbraw/zinc/86/00/51/1026860051.db2.gz DPZRBAJCYDSMJC-YOEHRIQHSA-N 1 2 326.469 3.879 20 30 EHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000582644596 1026860059 /nfs/dbraw/zinc/86/00/59/1026860059.db2.gz DPZRBAJCYDSMJC-YOEHRIQHSA-N 1 2 326.469 3.879 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(OC(F)F)c1 ZINC000531472166 1026958982 /nfs/dbraw/zinc/95/89/82/1026958982.db2.gz AHPLBMIPPCOWNJ-MRXNPFEDSA-N 1 2 329.350 3.892 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(OC(F)F)c1 ZINC000531472166 1026958988 /nfs/dbraw/zinc/95/89/88/1026958988.db2.gz AHPLBMIPPCOWNJ-MRXNPFEDSA-N 1 2 329.350 3.892 20 30 EHEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000164058112 1027223138 /nfs/dbraw/zinc/22/31/38/1027223138.db2.gz XMGBCNSJLJKEHA-UHFFFAOYSA-N 1 2 336.782 3.958 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c(F)c1 ZINC000347327484 1027274319 /nfs/dbraw/zinc/27/43/19/1027274319.db2.gz CIRLYOFHAUWUMU-RDJZCZTQSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c(F)c1 ZINC000347327484 1027274334 /nfs/dbraw/zinc/27/43/34/1027274334.db2.gz CIRLYOFHAUWUMU-RDJZCZTQSA-N 1 2 342.439 3.698 20 30 EHEDLO CCc1ccc(C[NH+]2CCN(c3ncc(C#N)cc3Cl)CC2)s1 ZINC000077985819 1027479467 /nfs/dbraw/zinc/47/94/67/1027479467.db2.gz FKNOSZWFJXYSBI-UHFFFAOYSA-N 1 2 346.887 3.553 20 30 EHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000132277208 1027904553 /nfs/dbraw/zinc/90/45/53/1027904553.db2.gz MGIZTPMURXIHMI-SECBINFHSA-N 1 2 346.066 3.946 20 30 EHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000132277208 1027904564 /nfs/dbraw/zinc/90/45/64/1027904564.db2.gz MGIZTPMURXIHMI-SECBINFHSA-N 1 2 346.066 3.946 20 30 EHEDLO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132938912 1027984497 /nfs/dbraw/zinc/98/44/97/1027984497.db2.gz STMFCMRWPIPRPS-JSGCOSHPSA-N 1 2 338.238 3.890 20 30 EHEDLO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000132938912 1027984510 /nfs/dbraw/zinc/98/45/10/1027984510.db2.gz STMFCMRWPIPRPS-JSGCOSHPSA-N 1 2 338.238 3.890 20 30 EHEDLO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nc1 ZINC000133222829 1028010863 /nfs/dbraw/zinc/01/08/63/1028010863.db2.gz YFIPWDIQMSBWEH-UHFFFAOYSA-N 1 2 329.366 3.784 20 30 EHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)nc1 ZINC000133222829 1028010879 /nfs/dbraw/zinc/01/08/79/1028010879.db2.gz YFIPWDIQMSBWEH-UHFFFAOYSA-N 1 2 329.366 3.784 20 30 EHEDLO Cc1cccnc1[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000440465103 1028062283 /nfs/dbraw/zinc/06/22/83/1028062283.db2.gz IMVWVDYMSSATEW-SFHVURJKSA-N 1 2 347.422 3.799 20 30 EHEDLO C=CC[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000664333155 1028079665 /nfs/dbraw/zinc/07/96/65/1028079665.db2.gz LMKZPBABVKEGRU-OAHLLOKOSA-N 1 2 348.516 3.949 20 30 EHEDLO C=CC[C@@H]1N(C(=O)NCc2ccn3cc[nH+]c3c2)CCCC1(C)C ZINC000445206686 1028619143 /nfs/dbraw/zinc/61/91/43/1028619143.db2.gz BARSLAZNVXPPJB-INIZCTEOSA-N 1 2 326.444 3.611 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(CC)Cc1ccccc1)Cc1cccs1 ZINC000248277537 1028865593 /nfs/dbraw/zinc/86/55/93/1028865593.db2.gz ZGILKUWKWKGWJG-UHFFFAOYSA-N 1 2 328.481 3.785 20 30 EHEDLO C=CC[N@H+](CC(=O)N(CC)Cc1ccccc1)Cc1cccs1 ZINC000248277537 1028865612 /nfs/dbraw/zinc/86/56/12/1028865612.db2.gz ZGILKUWKWKGWJG-UHFFFAOYSA-N 1 2 328.481 3.785 20 30 EHEDLO C[C@H](C#N)C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000533139118 1029372233 /nfs/dbraw/zinc/37/22/33/1029372233.db2.gz LRVWEAKGEDOOJV-GFCCVEGCSA-N 1 2 330.819 3.557 20 30 EHEDLO C[C@H](C#N)C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000533139118 1029372247 /nfs/dbraw/zinc/37/22/47/1029372247.db2.gz LRVWEAKGEDOOJV-GFCCVEGCSA-N 1 2 330.819 3.557 20 30 EHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c1C#N ZINC000535979050 1029467229 /nfs/dbraw/zinc/46/72/29/1029467229.db2.gz UHCLXMYUWDEXJP-QGZVFWFLSA-N 1 2 326.421 3.743 20 30 EHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccsc2)c1C#N ZINC000535979050 1029467233 /nfs/dbraw/zinc/46/72/33/1029467233.db2.gz UHCLXMYUWDEXJP-QGZVFWFLSA-N 1 2 326.421 3.743 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121962862 1029573743 /nfs/dbraw/zinc/57/37/43/1029573743.db2.gz NUNXZZCCMOWVOW-MRXNPFEDSA-N 1 2 328.412 3.996 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121962862 1029573756 /nfs/dbraw/zinc/57/37/56/1029573756.db2.gz NUNXZZCCMOWVOW-MRXNPFEDSA-N 1 2 328.412 3.996 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121962658 1029584288 /nfs/dbraw/zinc/58/42/88/1029584288.db2.gz NUNXZZCCMOWVOW-INIZCTEOSA-N 1 2 328.412 3.996 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121962658 1029584298 /nfs/dbraw/zinc/58/42/98/1029584298.db2.gz NUNXZZCCMOWVOW-INIZCTEOSA-N 1 2 328.412 3.996 20 30 EHEDLO COc1cc(C)c(C[N@H+](C)Cc2cccc(F)c2C#N)cc1OC ZINC000428459462 1029861960 /nfs/dbraw/zinc/86/19/60/1029861960.db2.gz DZIWTNWGJVWAPW-UHFFFAOYSA-N 1 2 328.387 3.655 20 30 EHEDLO COc1cc(C)c(C[N@@H+](C)Cc2cccc(F)c2C#N)cc1OC ZINC000428459462 1029861966 /nfs/dbraw/zinc/86/19/66/1029861966.db2.gz DZIWTNWGJVWAPW-UHFFFAOYSA-N 1 2 328.387 3.655 20 30 EHEDLO C[C@@H]([NH2+][C@H](C)c1ncc(Br)cn1)c1ccc(C#N)c(F)c1 ZINC000340425676 1030127954 /nfs/dbraw/zinc/12/79/54/1030127954.db2.gz NGDIDYDZYIZNPC-NXEZZACHSA-N 1 2 349.207 3.662 20 30 EHEDLO C=CC[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646400 1030492606 /nfs/dbraw/zinc/49/26/06/1030492606.db2.gz VDDBLDQSWNJGBO-XMMPIXPASA-N 1 2 344.436 3.520 20 30 EHEDLO C=CC[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646400 1030492610 /nfs/dbraw/zinc/49/26/10/1030492610.db2.gz VDDBLDQSWNJGBO-XMMPIXPASA-N 1 2 344.436 3.520 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768310 1030669172 /nfs/dbraw/zinc/66/91/72/1030669172.db2.gz WBOYOEWLJQTNCZ-KDOFPFPSSA-N 1 2 328.437 3.612 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000093768310 1030669181 /nfs/dbraw/zinc/66/91/81/1030669181.db2.gz WBOYOEWLJQTNCZ-KDOFPFPSSA-N 1 2 328.437 3.612 20 30 EHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc2c(c1)OCCO2 ZINC000783697283 1031143641 /nfs/dbraw/zinc/14/36/41/1031143641.db2.gz QTEVBAIBSDOWFY-IHWYPQMZSA-N 1 2 338.388 3.601 20 30 EHEDLO N#Cc1cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)ccc1F ZINC000483544229 1031215041 /nfs/dbraw/zinc/21/50/41/1031215041.db2.gz OAECKOUDHFVAOQ-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO C[NH+](C)C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528011634 1031590856 /nfs/dbraw/zinc/59/08/56/1031590856.db2.gz PXCZRGNGCTUOJC-GHJWDPDVSA-N 1 2 326.271 3.878 20 30 EHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@H](C3CC3)C1)C2 ZINC000329671946 1031727286 /nfs/dbraw/zinc/72/72/86/1031727286.db2.gz SIFKXFZSDJKFEX-HOTGVXAUSA-N 1 2 344.503 3.531 20 30 EHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117623633 1031783084 /nfs/dbraw/zinc/78/30/84/1031783084.db2.gz OASUATCIHKIOIR-UHFFFAOYSA-N 1 2 347.418 3.709 20 30 EHEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)c3ccccc3Cl)CC2)n1 ZINC000898130307 1033342815 /nfs/dbraw/zinc/34/28/15/1033342815.db2.gz FXCZHMUFQFRYFN-UHFFFAOYSA-N 1 2 339.826 3.702 20 30 EHEDLO O=C1c2cc(Br)ccc2C/C1=C/c1cccc2[nH+]ccn21 ZINC000588619734 1033549928 /nfs/dbraw/zinc/54/99/28/1033549928.db2.gz TVYQHKISLWKAIM-XFXZXTDPSA-N 1 2 339.192 3.919 20 30 EHEDLO O=C1c2cc(Br)ccc2C/C1=C/c1c[nH+]c2ccccn12 ZINC000588619731 1033550902 /nfs/dbraw/zinc/55/09/02/1033550902.db2.gz RXBCEKBGZDNGGI-WQLSENKSSA-N 1 2 339.192 3.919 20 30 EHEDLO CCCC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000063755208 1033671549 /nfs/dbraw/zinc/67/15/49/1033671549.db2.gz BKHNPHSFLGSCGJ-UHFFFAOYSA-N 1 2 345.443 4.000 20 30 EHEDLO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1F ZINC000063755208 1033671558 /nfs/dbraw/zinc/67/15/58/1033671558.db2.gz BKHNPHSFLGSCGJ-UHFFFAOYSA-N 1 2 345.443 4.000 20 30 EHEDLO C=C(C)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000045965466 1033702195 /nfs/dbraw/zinc/70/21/95/1033702195.db2.gz HHXSRSAYNOSNRY-UHFFFAOYSA-N 1 2 328.485 3.921 20 30 EHEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ncc(-c2ccccc2)o1 ZINC000158148038 1033759053 /nfs/dbraw/zinc/75/90/53/1033759053.db2.gz CPARCMMFGLZGJF-ZDUSSCGKSA-N 1 2 349.390 3.675 20 30 EHEDLO Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)nc(N)c2c1C ZINC000595620719 1033902619 /nfs/dbraw/zinc/90/26/19/1033902619.db2.gz PETGCPOFFGBWRM-AAEUAGOBSA-N 1 2 329.473 3.577 20 30 EHEDLO Cc1sc2nc([C@H](C)[N@H+]3CCC[C@@H](CC#N)C3)nc(N)c2c1C ZINC000595620719 1033902625 /nfs/dbraw/zinc/90/26/25/1033902625.db2.gz PETGCPOFFGBWRM-AAEUAGOBSA-N 1 2 329.473 3.577 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120975131 1034276041 /nfs/dbraw/zinc/27/60/41/1034276041.db2.gz ZJUROWJUXGYANE-HNNXBMFYSA-N 1 2 337.533 3.992 20 30 EHEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000120975131 1034276053 /nfs/dbraw/zinc/27/60/53/1034276053.db2.gz ZJUROWJUXGYANE-HNNXBMFYSA-N 1 2 337.533 3.992 20 30 EHEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231206 1034613594 /nfs/dbraw/zinc/61/35/94/1034613594.db2.gz WZLLHPJYPHEQAJ-LJQANCHMSA-N 1 2 342.874 3.937 20 30 EHEDLO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231206 1034613608 /nfs/dbraw/zinc/61/36/08/1034613608.db2.gz WZLLHPJYPHEQAJ-LJQANCHMSA-N 1 2 342.874 3.937 20 30 EHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3ccn(CC(F)(F)F)n3)CC2)cc1 ZINC000450652258 1034643063 /nfs/dbraw/zinc/64/30/63/1034643063.db2.gz OAVZKSFEDVUDGP-UHFFFAOYSA-N 1 2 346.356 3.606 20 30 EHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3ccn(CC(F)(F)F)n3)CC2)cc1 ZINC000450652258 1034643070 /nfs/dbraw/zinc/64/30/70/1034643070.db2.gz OAVZKSFEDVUDGP-UHFFFAOYSA-N 1 2 346.356 3.606 20 30 EHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(Cl)cc3C)CC2)c1C#N ZINC000571708504 1035598817 /nfs/dbraw/zinc/59/88/17/1035598817.db2.gz FVYIYMPOPHTMPM-UHFFFAOYSA-N 1 2 346.887 3.607 20 30 EHEDLO Cc1sc2[nH]c([C@@H](C)[NH+]3CCC(CC#N)CC3)nc(=O)c2c1C ZINC000541953907 1036886570 /nfs/dbraw/zinc/88/65/70/1036886570.db2.gz WJVVBGBUFMTWMG-LLVKDONJSA-N 1 2 330.457 3.700 20 30 EHEDLO N#Cc1cccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1F ZINC000341139675 1037597267 /nfs/dbraw/zinc/59/72/67/1037597267.db2.gz SLEDLHMPNJLVDH-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO N#Cc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1F ZINC000341139675 1037597278 /nfs/dbraw/zinc/59/72/78/1037597278.db2.gz SLEDLHMPNJLVDH-UHFFFAOYSA-N 1 2 325.343 3.770 20 30 EHEDLO C#C[C@H](CCC)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000491689189 1037620769 /nfs/dbraw/zinc/62/07/69/1037620769.db2.gz HFXHJEJCSPCDQP-MRXNPFEDSA-N 1 2 334.423 3.525 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000592097189 1037834983 /nfs/dbraw/zinc/83/49/83/1037834983.db2.gz FYNCMETXCDTMRF-CYBMUJFWSA-N 1 2 325.387 3.732 20 30 EHEDLO CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1 ZINC000592147599 1037848487 /nfs/dbraw/zinc/84/84/87/1037848487.db2.gz MNWFCIDAEMFTNY-IBGZPJMESA-N 1 2 341.480 3.784 20 30 EHEDLO CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@@](O)(CC#N)C3)cs2)cc1 ZINC000592147599 1037848505 /nfs/dbraw/zinc/84/85/05/1037848505.db2.gz MNWFCIDAEMFTNY-IBGZPJMESA-N 1 2 341.480 3.784 20 30 EHEDLO Cc1nc(Nc2cccc(C[N@H+](C)Cc3cscn3)c2)ccc1C#N ZINC000488051435 1038812125 /nfs/dbraw/zinc/81/21/25/1038812125.db2.gz QAUSFLZHEGXHTQ-UHFFFAOYSA-N 1 2 349.463 3.516 20 30 EHEDLO Cc1nc(Nc2cccc(C[N@@H+](C)Cc3cscn3)c2)ccc1C#N ZINC000488051435 1038812157 /nfs/dbraw/zinc/81/21/57/1038812157.db2.gz QAUSFLZHEGXHTQ-UHFFFAOYSA-N 1 2 349.463 3.516 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000488291243 1039074439 /nfs/dbraw/zinc/07/44/39/1039074439.db2.gz WAUARXVBDJZQFD-UHFFFAOYSA-N 1 2 341.386 3.623 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000488291243 1039074453 /nfs/dbraw/zinc/07/44/53/1039074453.db2.gz WAUARXVBDJZQFD-UHFFFAOYSA-N 1 2 341.386 3.623 20 30 EHEDLO COCC[N@H+](CC#Cc1ccccc1Cl)Cc1scnc1C ZINC000489437285 1039976297 /nfs/dbraw/zinc/97/62/97/1039976297.db2.gz LFPWTYGUQQIDBT-UHFFFAOYSA-N 1 2 334.872 3.605 20 30 EHEDLO COCC[N@@H+](CC#Cc1ccccc1Cl)Cc1scnc1C ZINC000489437285 1039976309 /nfs/dbraw/zinc/97/63/09/1039976309.db2.gz LFPWTYGUQQIDBT-UHFFFAOYSA-N 1 2 334.872 3.605 20 30 EHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccnn1CC1CCC1 ZINC000899413219 1040473550 /nfs/dbraw/zinc/47/35/50/1040473550.db2.gz NIAJBWKKYZVSQV-SNAWJCMRSA-N 1 2 338.436 3.827 20 30 EHEDLO N#CC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCCC1 ZINC000600071094 1040590531 /nfs/dbraw/zinc/59/05/31/1040590531.db2.gz WUDGTYCDVBTAGO-QGZVFWFLSA-N 1 2 345.874 3.505 20 30 EHEDLO N#CC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCCC1 ZINC000600071094 1040590546 /nfs/dbraw/zinc/59/05/46/1040590546.db2.gz WUDGTYCDVBTAGO-QGZVFWFLSA-N 1 2 345.874 3.505 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000029630874 1040767311 /nfs/dbraw/zinc/76/73/11/1040767311.db2.gz AAYIVQSTPLXTIF-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CC(C)(C)C#N)o2)cc1 ZINC000614247743 1040831922 /nfs/dbraw/zinc/83/19/22/1040831922.db2.gz NSPVHAMCNSCOLD-UHFFFAOYSA-N 1 2 326.396 3.763 20 30 EHEDLO COc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1NC(C)=O ZINC000151422156 1040870445 /nfs/dbraw/zinc/87/04/45/1040870445.db2.gz RATPJQAQNDIBQA-VOTSOKGWSA-N 1 2 349.390 3.506 20 30 EHEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(C#N)cs1 ZINC000161755720 1041388555 /nfs/dbraw/zinc/38/85/55/1041388555.db2.gz FQUAYIUIJHPIFQ-UHFFFAOYSA-N 1 2 331.416 3.608 20 30 EHEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1cc(C#N)cs1 ZINC000161755720 1041388563 /nfs/dbraw/zinc/38/85/63/1041388563.db2.gz FQUAYIUIJHPIFQ-UHFFFAOYSA-N 1 2 331.416 3.608 20 30 EHEDLO O=c1[nH]c2ccccc2cc1C=NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000124903657 1041746974 /nfs/dbraw/zinc/74/69/74/1041746974.db2.gz OXZZPCJVYGGWDT-LPYMAVHISA-N 1 2 328.375 3.745 20 30 EHEDLO N#Cc1cc2c(nc1NCc1cc[nH+]c(N3CCCCC3)c1)CCCC2 ZINC000301896782 1041874507 /nfs/dbraw/zinc/87/45/07/1041874507.db2.gz QRIOCUJYMGPPPK-UHFFFAOYSA-N 1 2 347.466 3.829 20 30 EHEDLO C=CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000128538466 1042659220 /nfs/dbraw/zinc/65/92/20/1042659220.db2.gz XQHKFLOTMBQGEG-UHFFFAOYSA-N 1 2 328.485 3.921 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1 ZINC000063494689 1042702908 /nfs/dbraw/zinc/70/29/08/1042702908.db2.gz FUNRPKVIAVASIZ-UHFFFAOYSA-N 1 2 338.455 3.625 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccccc1 ZINC000063494689 1042702911 /nfs/dbraw/zinc/70/29/11/1042702911.db2.gz FUNRPKVIAVASIZ-UHFFFAOYSA-N 1 2 338.455 3.625 20 30 EHEDLO Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)o1 ZINC000073150588 1127125358 /nfs/dbraw/zinc/12/53/58/1127125358.db2.gz AHRLHAHHXDHFIN-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)o1 ZINC000073150588 1127125361 /nfs/dbraw/zinc/12/53/61/1127125361.db2.gz AHRLHAHHXDHFIN-UHFFFAOYSA-N 1 2 339.439 3.584 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000180533846 1127169304 /nfs/dbraw/zinc/16/93/04/1127169304.db2.gz VIVKJUPLRBIFOB-KRWDZBQOSA-N 1 2 340.471 3.518 20 30 EHEDLO C=CCn1c(COc2ccccc2)nn(C[N@@H+](CC)CCC)c1=S ZINC000764948633 1127558425 /nfs/dbraw/zinc/55/84/25/1127558425.db2.gz YHXPGYPIRMLRGB-UHFFFAOYSA-N 1 2 346.500 3.868 20 30 EHEDLO C=CCn1c(COc2ccccc2)nn(C[N@H+](CC)CCC)c1=S ZINC000764948633 1127558426 /nfs/dbraw/zinc/55/84/26/1127558426.db2.gz YHXPGYPIRMLRGB-UHFFFAOYSA-N 1 2 346.500 3.868 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)C[C@@H](C)CC)c1=S ZINC000764985949 1127560584 /nfs/dbraw/zinc/56/05/84/1127560584.db2.gz CEKORLRUNZWZJP-AWEZNQCLSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)C[C@@H](C)CC)c1=S ZINC000764985949 1127560587 /nfs/dbraw/zinc/56/05/87/1127560587.db2.gz CEKORLRUNZWZJP-AWEZNQCLSA-N 1 2 331.489 3.597 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765032510 1127565293 /nfs/dbraw/zinc/56/52/93/1127565293.db2.gz WGGVXCKTKDMSQW-LSDHHAIUSA-N 1 2 343.500 3.740 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000765032510 1127565296 /nfs/dbraw/zinc/56/52/96/1127565296.db2.gz WGGVXCKTKDMSQW-LSDHHAIUSA-N 1 2 343.500 3.740 20 30 EHEDLO Cc1cc(C#N)cc(C)c1CNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000921567052 1127750183 /nfs/dbraw/zinc/75/01/83/1127750183.db2.gz HGCJLBBYVVYXGV-UHFFFAOYSA-N 1 2 335.451 3.748 20 30 EHEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)cc1C#N ZINC001168605502 1128343116 /nfs/dbraw/zinc/34/31/16/1128343116.db2.gz XUEBDPQAYRNSKT-CVEARBPZSA-N 1 2 343.471 3.696 20 30 EHEDLO Cc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)cc1C#N ZINC001168605502 1128343121 /nfs/dbraw/zinc/34/31/21/1128343121.db2.gz XUEBDPQAYRNSKT-CVEARBPZSA-N 1 2 343.471 3.696 20 30 EHEDLO N#Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c2ccccc2n1 ZINC000301352739 1128587085 /nfs/dbraw/zinc/58/70/85/1128587085.db2.gz NKLQJLMHSAJVID-UHFFFAOYSA-N 1 2 329.407 3.714 20 30 EHEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2n1 ZINC000301366728 1128588072 /nfs/dbraw/zinc/58/80/72/1128588072.db2.gz NUBZPBDIEJALSF-UHFFFAOYSA-N 1 2 325.375 3.904 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301762082 1128604626 /nfs/dbraw/zinc/60/46/26/1128604626.db2.gz DEDMXYBLRMPLQR-INIZCTEOSA-N 1 2 347.397 3.640 20 30 EHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000303986818 1128711813 /nfs/dbraw/zinc/71/18/13/1128711813.db2.gz IWMVFPRPGBFSBI-FQEVSTJZSA-N 1 2 342.389 3.782 20 30 EHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000303986819 1128711871 /nfs/dbraw/zinc/71/18/71/1128711871.db2.gz IWMVFPRPGBFSBI-HXUWFJFHSA-N 1 2 342.389 3.782 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@H+](CCCOc3ccc(F)cc3)CCO2)c1 ZINC000761758003 1120885894 /nfs/dbraw/zinc/88/58/94/1120885894.db2.gz ONZLADAXJJVRTF-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCOc3ccc(F)cc3)CCO2)c1 ZINC000761758003 1120885897 /nfs/dbraw/zinc/88/58/97/1120885897.db2.gz ONZLADAXJJVRTF-HXUWFJFHSA-N 1 2 340.398 3.540 20 30 EHEDLO COc1cc(F)ccc1N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000761884604 1121003145 /nfs/dbraw/zinc/00/31/45/1121003145.db2.gz KZRBZKUWXDEIII-UHFFFAOYSA-N 1 2 326.375 3.630 20 30 EHEDLO N#CCCCOc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000237826687 1121495870 /nfs/dbraw/zinc/49/58/70/1121495870.db2.gz AXEOEDMOINIVMM-UHFFFAOYSA-N 1 2 336.439 3.845 20 30 EHEDLO C#CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCc2ccccc21 ZINC000917117469 1122511463 /nfs/dbraw/zinc/51/14/63/1122511463.db2.gz NIWKBPSEHMUALL-IBGZPJMESA-N 1 2 336.391 3.726 20 30 EHEDLO C#CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCc2ccccc21 ZINC000917117469 1122511467 /nfs/dbraw/zinc/51/14/67/1122511467.db2.gz NIWKBPSEHMUALL-IBGZPJMESA-N 1 2 336.391 3.726 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C2CC2)cc1 ZINC000194967826 1123091430 /nfs/dbraw/zinc/09/14/30/1123091430.db2.gz AFJHZRHANLVSEL-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C2CC2)cc1 ZINC000194967826 1123091434 /nfs/dbraw/zinc/09/14/34/1123091434.db2.gz AFJHZRHANLVSEL-UHFFFAOYSA-N 1 2 348.381 3.912 20 30 EHEDLO N#Cc1nnc2ccccc2c1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000610130141 1123738189 /nfs/dbraw/zinc/73/81/89/1123738189.db2.gz HZNPMGFTEYMJTH-UHFFFAOYSA-N 1 2 330.395 3.995 20 30 EHEDLO N#CC1CC[NH+](Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000179924676 1123902778 /nfs/dbraw/zinc/90/27/78/1123902778.db2.gz VPCPZBNZWFVQCG-UHFFFAOYSA-N 1 2 345.187 3.786 20 30 EHEDLO CCOC(=O)C[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1 ZINC000543137890 1129274179 /nfs/dbraw/zinc/27/41/79/1129274179.db2.gz VNPOUKAIKUQYIO-KRWDZBQOSA-N 1 2 336.435 3.879 20 30 EHEDLO CCOC(=O)C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1 ZINC000543137890 1129274182 /nfs/dbraw/zinc/27/41/82/1129274182.db2.gz VNPOUKAIKUQYIO-KRWDZBQOSA-N 1 2 336.435 3.879 20 30 EHEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000428871333 1129555740 /nfs/dbraw/zinc/55/57/40/1129555740.db2.gz INEGQWPBAATCPB-QGZVFWFLSA-N 1 2 333.435 3.557 20 30 EHEDLO C=CC[N@H+](CCC#N)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000428871333 1129555743 /nfs/dbraw/zinc/55/57/43/1129555743.db2.gz INEGQWPBAATCPB-QGZVFWFLSA-N 1 2 333.435 3.557 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)cc1 ZINC000922520715 1129560175 /nfs/dbraw/zinc/56/01/75/1129560175.db2.gz ONDMKXRFRQRJNB-AZUAARDMSA-N 1 2 325.383 3.650 20 30 EHEDLO C[C@H](CC#N)[N@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000347779363 1129751246 /nfs/dbraw/zinc/75/12/46/1129751246.db2.gz NZXXAOOUKVGTGK-SECBINFHSA-N 1 2 346.066 3.946 20 30 EHEDLO C[C@H](CC#N)[N@@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000347779363 1129751248 /nfs/dbraw/zinc/75/12/48/1129751248.db2.gz NZXXAOOUKVGTGK-SECBINFHSA-N 1 2 346.066 3.946 20 30 EHEDLO Cc1ccc([C@H](CNCc2ccc(C#N)cc2F)[NH+]2CCCC2)o1 ZINC000347845610 1129918293 /nfs/dbraw/zinc/91/82/93/1129918293.db2.gz BLOLLKKONFDHMA-SFHVURJKSA-N 1 2 327.403 3.526 20 30 EHEDLO C#Cc1ccc([C@@H](OC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(F)(F)F)cc1 ZINC001128968211 1130294596 /nfs/dbraw/zinc/29/45/96/1130294596.db2.gz HCBMHTFQIJDIBS-JKSUJKDBSA-N 1 2 339.357 3.687 20 30 EHEDLO C#Cc1ccc([C@@H](OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(F)(F)F)cc1 ZINC001128968211 1130294599 /nfs/dbraw/zinc/29/45/99/1130294599.db2.gz HCBMHTFQIJDIBS-JKSUJKDBSA-N 1 2 339.357 3.687 20 30 EHEDLO C#CC[N@@H+](Cn1c2c(sc1=O)C[C@H](CC)CC2)C1CCCCC1 ZINC000728044856 1130621121 /nfs/dbraw/zinc/62/11/21/1130621121.db2.gz XCLMUJUPMIDUSN-OAHLLOKOSA-N 1 2 332.513 3.650 20 30 EHEDLO C#CC[N@H+](Cn1c2c(sc1=O)C[C@H](CC)CC2)C1CCCCC1 ZINC000728044856 1130621125 /nfs/dbraw/zinc/62/11/25/1130621125.db2.gz XCLMUJUPMIDUSN-OAHLLOKOSA-N 1 2 332.513 3.650 20 30 EHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000730095645 1130674196 /nfs/dbraw/zinc/67/41/96/1130674196.db2.gz COHWDSQCFNXTAO-NRFANRHFSA-N 1 2 345.446 3.851 20 30 EHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000730095645 1130674201 /nfs/dbraw/zinc/67/42/01/1130674201.db2.gz COHWDSQCFNXTAO-NRFANRHFSA-N 1 2 345.446 3.851 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(-n2ccnc2)cc1 ZINC000730146774 1130678671 /nfs/dbraw/zinc/67/86/71/1130678671.db2.gz GKYWJGDOIXJINH-UHFFFAOYSA-N 1 2 327.391 3.679 20 30 EHEDLO COc1cc(C)cc2c1OCCC2=NNc1cc[nH+]c2ccccc12 ZINC000730148391 1130679002 /nfs/dbraw/zinc/67/90/02/1130679002.db2.gz SLTFEVYPNQHKMH-UHFFFAOYSA-N 1 2 333.391 3.572 20 30 EHEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccccn23)cnn1-c1ccccc1 ZINC000740765008 1131544176 /nfs/dbraw/zinc/54/41/76/1131544176.db2.gz NHHKKTLKEMJJBN-ZHACJKMWSA-N 1 2 328.375 3.725 20 30 EHEDLO CC(C)C[C@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172812273 1131849984 /nfs/dbraw/zinc/84/99/84/1131849984.db2.gz USVCNJRVQXVOMX-IHBAFOEMSA-N 1 2 333.476 3.611 20 30 EHEDLO C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172847982 1131870147 /nfs/dbraw/zinc/87/01/47/1131870147.db2.gz QWUCPWMQIJVUHW-MEBBXXQBSA-N 1 2 325.836 3.684 20 30 EHEDLO C[C@H](Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172847982 1131870155 /nfs/dbraw/zinc/87/01/55/1131870155.db2.gz QWUCPWMQIJVUHW-MEBBXXQBSA-N 1 2 325.836 3.684 20 30 EHEDLO C(=NNc1cc[nH+]c2ccccc12)c1ccc(Oc2cnccn2)cc1 ZINC000743439697 1131924127 /nfs/dbraw/zinc/92/41/27/1131924127.db2.gz HYEFLIWCBYNNJX-UHFFFAOYSA-N 1 2 341.374 3.685 20 30 EHEDLO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000744428354 1132096905 /nfs/dbraw/zinc/09/69/05/1132096905.db2.gz IXBITMXTUBGSCJ-RDBSUJKOSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000744428354 1132096915 /nfs/dbraw/zinc/09/69/15/1132096915.db2.gz IXBITMXTUBGSCJ-RDBSUJKOSA-N 1 2 327.453 3.593 20 30 EHEDLO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000745991289 1132344789 /nfs/dbraw/zinc/34/47/89/1132344789.db2.gz VIKJNGPNAQSDRY-MCIONIFRSA-N 1 2 327.453 3.593 20 30 EHEDLO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000745991289 1132344795 /nfs/dbraw/zinc/34/47/95/1132344795.db2.gz VIKJNGPNAQSDRY-MCIONIFRSA-N 1 2 327.453 3.593 20 30 EHEDLO N#Cc1cccc2c(Nc3ccc(N4CCOCC4)[nH+]c3)cccc12 ZINC001174977098 1132511127 /nfs/dbraw/zinc/51/11/27/1132511127.db2.gz GTCGLJPHWVKLLP-UHFFFAOYSA-N 1 2 330.391 3.687 20 30 EHEDLO N#Cc1ccc(-c2ccccc2)nc1NCCc1cn2ccccc2[nH+]1 ZINC001169000853 1132628539 /nfs/dbraw/zinc/62/85/39/1132628539.db2.gz UQKPYEOYMYEBPB-UHFFFAOYSA-N 1 2 339.402 3.923 20 30 EHEDLO CCOC(=O)CCCc1ccc(C#N)cc1Nc1c[nH+]ccc1OC ZINC001176123052 1132853179 /nfs/dbraw/zinc/85/31/79/1132853179.db2.gz HUEFEFIACIQETJ-UHFFFAOYSA-N 1 2 339.395 3.591 20 30 EHEDLO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000767614557 1133027080 /nfs/dbraw/zinc/02/70/80/1133027080.db2.gz VPVVVUZAEKVXKA-OAQYLSRUSA-N 1 2 336.435 3.921 20 30 EHEDLO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000767614557 1133027086 /nfs/dbraw/zinc/02/70/86/1133027086.db2.gz VPVVVUZAEKVXKA-OAQYLSRUSA-N 1 2 336.435 3.921 20 30 EHEDLO CC[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000768883051 1133196452 /nfs/dbraw/zinc/19/64/52/1133196452.db2.gz XIHFWXZSSKYPOT-OAHLLOKOSA-N 1 2 330.432 3.567 20 30 EHEDLO CC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000768883051 1133196455 /nfs/dbraw/zinc/19/64/55/1133196455.db2.gz XIHFWXZSSKYPOT-OAHLLOKOSA-N 1 2 330.432 3.567 20 30 EHEDLO COC(=O)c1[nH]c2ccccc2c1C[N@H+](CCC#N)CCC(C)C ZINC001180030993 1133319798 /nfs/dbraw/zinc/31/97/98/1133319798.db2.gz RUDWZSMFTVASOL-UHFFFAOYSA-N 1 2 327.428 3.716 20 30 EHEDLO COC(=O)c1[nH]c2ccccc2c1C[N@@H+](CCC#N)CCC(C)C ZINC001180030993 1133319803 /nfs/dbraw/zinc/31/98/03/1133319803.db2.gz RUDWZSMFTVASOL-UHFFFAOYSA-N 1 2 327.428 3.716 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)Cc1ncc(Br)cc1O ZINC001180505312 1133387263 /nfs/dbraw/zinc/38/72/63/1133387263.db2.gz NKCINKSLDOJBGR-UHFFFAOYSA-N 1 2 339.258 3.799 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ncc(Br)cc1O ZINC001180505312 1133387267 /nfs/dbraw/zinc/38/72/67/1133387267.db2.gz NKCINKSLDOJBGR-UHFFFAOYSA-N 1 2 339.258 3.799 20 30 EHEDLO N#Cc1c(Cl)nsc1NCc1ccccc1Cn1cc[nH+]c1 ZINC000771008797 1133497720 /nfs/dbraw/zinc/49/77/20/1133497720.db2.gz QSGPSYXGKFDOHO-UHFFFAOYSA-N 1 2 329.816 3.525 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)Nc1[nH]ccc1C#N)c1ccccc1Cl ZINC001182217508 1133597193 /nfs/dbraw/zinc/59/71/93/1133597193.db2.gz AFIZUPZNLDTAIY-OAHLLOKOSA-N 1 2 330.819 3.561 20 30 EHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000785997293 1133789524 /nfs/dbraw/zinc/78/95/24/1133789524.db2.gz KRNFCUZMDKCTBF-INIZCTEOSA-N 1 2 327.428 3.614 20 30 EHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000785997293 1133789530 /nfs/dbraw/zinc/78/95/30/1133789530.db2.gz KRNFCUZMDKCTBF-INIZCTEOSA-N 1 2 327.428 3.614 20 30 EHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000785997405 1133789909 /nfs/dbraw/zinc/78/99/09/1133789909.db2.gz NDXJPPQMDQCZHD-GFCCVEGCSA-N 1 2 326.412 3.980 20 30 EHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000785997405 1133789914 /nfs/dbraw/zinc/78/99/14/1133789914.db2.gz NDXJPPQMDQCZHD-GFCCVEGCSA-N 1 2 326.412 3.980 20 30 EHEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001184783500 1133989785 /nfs/dbraw/zinc/98/97/85/1133989785.db2.gz FWJMLBXJQMORDB-UHFFFAOYSA-N 1 2 340.511 3.985 20 30 EHEDLO N#Cc1cc(N)c(Nc2ccc[nH+]c2N2CCCC2)cc1C(F)(F)F ZINC001185042859 1134023376 /nfs/dbraw/zinc/02/33/76/1134023376.db2.gz KMOGLSOUEHQSOS-UHFFFAOYSA-N 1 2 347.344 3.898 20 30 EHEDLO N#Cc1cccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000788241740 1134099066 /nfs/dbraw/zinc/09/90/66/1134099066.db2.gz HZRKAFMBQYRFKT-QGZVFWFLSA-N 1 2 348.450 3.616 20 30 EHEDLO N#Cc1cccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000788241740 1134099073 /nfs/dbraw/zinc/09/90/73/1134099073.db2.gz HZRKAFMBQYRFKT-QGZVFWFLSA-N 1 2 348.450 3.616 20 30 EHEDLO CCCCCCCCC/C=C/C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001170101794 1134255457 /nfs/dbraw/zinc/25/54/57/1134255457.db2.gz MAHHWPJMVZCHOQ-TZZQJPOUSA-N 1 2 346.519 3.590 20 30 EHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1OC ZINC000775066723 1134278300 /nfs/dbraw/zinc/27/83/00/1134278300.db2.gz RNLVDFNYSDIXLW-QGZVFWFLSA-N 1 2 348.406 3.858 20 30 EHEDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1OC ZINC000775067722 1134278617 /nfs/dbraw/zinc/27/86/17/1134278617.db2.gz NNYKTJJXPVUGMY-KRWDZBQOSA-N 1 2 348.406 3.858 20 30 EHEDLO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1OC ZINC000775081197 1134291791 /nfs/dbraw/zinc/29/17/91/1134291791.db2.gz SQINJUPAARVKRR-SFHVURJKSA-N 1 2 338.407 3.594 20 30 EHEDLO CON=Cc1ccc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000791239425 1134519339 /nfs/dbraw/zinc/51/93/39/1134519339.db2.gz GUQDKOAWHLVYAP-UHFFFAOYSA-N 1 2 349.390 3.518 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc(F)c1C#N ZINC000791453285 1134554044 /nfs/dbraw/zinc/55/40/44/1134554044.db2.gz AIJUVRCZZNCWGE-UHFFFAOYSA-N 1 2 335.338 3.549 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ncccc1C(F)(F)F ZINC000792629175 1134753099 /nfs/dbraw/zinc/75/30/99/1134753099.db2.gz HDFZJSSAEOUFAJ-UHFFFAOYSA-N 1 2 334.345 3.904 20 30 EHEDLO CCCCCCCCNC(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001191060383 1134784528 /nfs/dbraw/zinc/78/45/28/1134784528.db2.gz RAHPCUPGVSJYIP-UHFFFAOYSA-N 1 2 346.519 3.999 20 30 EHEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001191374601 1134859672 /nfs/dbraw/zinc/85/96/72/1134859672.db2.gz IKPBROHTSVWUTE-INIZCTEOSA-N 1 2 342.266 3.976 20 30 EHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000793170209 1134868060 /nfs/dbraw/zinc/86/80/60/1134868060.db2.gz YYRCVLDZGSHQSZ-QGZVFWFLSA-N 1 2 338.455 3.529 20 30 EHEDLO CN(C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N)C(=O)OC(C)(C)C ZINC000794381927 1135045701 /nfs/dbraw/zinc/04/57/01/1135045701.db2.gz DIMHIMXUIGCWPO-HNNXBMFYSA-N 1 2 347.434 3.529 20 30 EHEDLO CN(C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N)C(=O)OC(C)(C)C ZINC000794381927 1135045710 /nfs/dbraw/zinc/04/57/10/1135045710.db2.gz DIMHIMXUIGCWPO-HNNXBMFYSA-N 1 2 347.434 3.529 20 30 EHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2ccc3c(C#N)c[nH]c3c2)c1 ZINC001194908079 1135339235 /nfs/dbraw/zinc/33/92/35/1135339235.db2.gz STSWPZUQIQJZGJ-UHFFFAOYSA-N 1 2 341.374 3.692 20 30 EHEDLO Cc1nn(C)c2sc(C(=O)/C=C\c3c[nH+]c4c(C)cccn34)cc12 ZINC000806578836 1135455461 /nfs/dbraw/zinc/45/54/61/1135455461.db2.gz MEHQIVUTBJAMKS-SREVYHEPSA-N 1 2 336.420 3.795 20 30 EHEDLO N#Cc1cc(Cl)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001130936177 1135538878 /nfs/dbraw/zinc/53/88/78/1135538878.db2.gz BLDSMGBRKUNGGW-UHFFFAOYSA-N 1 2 336.782 3.709 20 30 EHEDLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC001196356146 1135551327 /nfs/dbraw/zinc/55/13/27/1135551327.db2.gz AOOKIPJDPRTBJD-UHFFFAOYSA-N 1 2 334.435 3.887 20 30 EHEDLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(F)c(C#N)c1 ZINC001196356146 1135551328 /nfs/dbraw/zinc/55/13/28/1135551328.db2.gz AOOKIPJDPRTBJD-UHFFFAOYSA-N 1 2 334.435 3.887 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1F ZINC000809700175 1135868932 /nfs/dbraw/zinc/86/89/32/1135868932.db2.gz ZMFOVEFSKOKCPW-INIZCTEOSA-N 1 2 331.774 3.714 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(Cl)cc1 ZINC000811516318 1136104334 /nfs/dbraw/zinc/10/43/34/1136104334.db2.gz KRJCXXPUAOYCKI-QGZVFWFLSA-N 1 2 327.811 3.965 20 30 EHEDLO C=CC(C)(C)CCCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001133391567 1136232068 /nfs/dbraw/zinc/23/20/68/1136232068.db2.gz OBJQUFGEQWFFQI-UHFFFAOYSA-N 1 2 335.398 3.732 20 30 EHEDLO COCC(=NNc1cc[nH+]c2ccccc12)c1cccc(Cl)c1 ZINC000814841243 1136514116 /nfs/dbraw/zinc/51/41/16/1136514116.db2.gz IFHGDSWBFSFHTI-UHFFFAOYSA-N 1 2 325.799 3.773 20 30 EHEDLO CC(=[NH+]Nc1ccc(C#N)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814901385 1136522259 /nfs/dbraw/zinc/52/22/59/1136522259.db2.gz LLYJSWLMLDERCR-UHFFFAOYSA-N 1 2 329.747 3.538 20 30 EHEDLO N#C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1c(Cl)cccc1Cl ZINC000777102136 1137011222 /nfs/dbraw/zinc/01/12/22/1137011222.db2.gz LQEBXDHAPSTNMC-LBPRGKRZSA-N 1 2 345.189 3.636 20 30 EHEDLO CCCC[N@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC001136845930 1137129496 /nfs/dbraw/zinc/12/94/96/1137129496.db2.gz HRJOANHJYXVEKI-UHFFFAOYSA-N 1 2 339.233 3.694 20 30 EHEDLO CCCC[N@@H+](CCC#N)Cc1cc2c(c(Br)c1)OCO2 ZINC001136845930 1137129498 /nfs/dbraw/zinc/12/94/98/1137129498.db2.gz HRJOANHJYXVEKI-UHFFFAOYSA-N 1 2 339.233 3.694 20 30 EHEDLO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000824507475 1137142372 /nfs/dbraw/zinc/14/23/72/1137142372.db2.gz JPZUYGDERBMWTR-UHFFFAOYSA-N 1 2 344.418 3.523 20 30 EHEDLO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000824507475 1137142374 /nfs/dbraw/zinc/14/23/74/1137142374.db2.gz JPZUYGDERBMWTR-UHFFFAOYSA-N 1 2 344.418 3.523 20 30 EHEDLO CCOC(=O)CCc1ccc[nH+]c1N[C@@H]1CCc2c1cccc2C#N ZINC001171064648 1137151073 /nfs/dbraw/zinc/15/10/73/1137151073.db2.gz JXDLOIRRMSRSSW-GOSISDBHSA-N 1 2 335.407 3.548 20 30 EHEDLO CCO[C@@H](C)c1nc(CO[NH+]=C(N)c2ccc(F)c(C)c2)cs1 ZINC000120031879 1137225608 /nfs/dbraw/zinc/22/56/08/1137225608.db2.gz PQPRZONMEZJLIA-NSHDSACASA-N 1 2 337.420 3.525 20 30 EHEDLO C#Cc1ccc([C@@H](OC(=O)C[C@H](C)n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000844561272 1137235058 /nfs/dbraw/zinc/23/50/58/1137235058.db2.gz TWPUKICFUJEVHM-BLLLJJGKSA-N 1 2 336.313 3.662 20 30 EHEDLO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(OC(F)(F)F)c1 ZINC001144055126 1137235302 /nfs/dbraw/zinc/23/53/02/1137235302.db2.gz BLUPZNAZCTVJEW-GFCCVEGCSA-N 1 2 328.334 3.719 20 30 EHEDLO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(OC(F)(F)F)c1 ZINC001144055126 1137235304 /nfs/dbraw/zinc/23/53/04/1137235304.db2.gz BLUPZNAZCTVJEW-GFCCVEGCSA-N 1 2 328.334 3.719 20 30 EHEDLO CCCOc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794696176 1137235421 /nfs/dbraw/zinc/23/54/21/1137235421.db2.gz CQMUJVASYIKYLK-KTKRTIGZSA-N 1 2 330.453 3.890 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc3cc(O)ccc3c2)s1 ZINC000794703344 1137236114 /nfs/dbraw/zinc/23/61/14/1137236114.db2.gz URHJOBYGWQXQFI-FPLPWBNLSA-N 1 2 338.432 3.960 20 30 EHEDLO C=C[C@H](C)ONC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000844647520 1137244066 /nfs/dbraw/zinc/24/40/66/1137244066.db2.gz TUKMTAAOCIGRDA-ZDUSSCGKSA-N 1 2 326.400 3.514 20 30 EHEDLO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc(Cl)cc1 ZINC000794856179 1137300813 /nfs/dbraw/zinc/30/08/13/1137300813.db2.gz FXDFSKNTWQNNMC-UHFFFAOYSA-N 1 2 325.803 3.862 20 30 EHEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cc(F)c(O)cc3F)C2)cc1 ZINC001144663268 1137325062 /nfs/dbraw/zinc/32/50/62/1137325062.db2.gz BDXFFOZWAJRNPX-MRXNPFEDSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(O)cc3F)C2)cc1 ZINC001144663268 1137325064 /nfs/dbraw/zinc/32/50/64/1137325064.db2.gz BDXFFOZWAJRNPX-MRXNPFEDSA-N 1 2 344.361 3.585 20 30 EHEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000846119010 1137333941 /nfs/dbraw/zinc/33/39/41/1137333941.db2.gz VFJRVHDAZFGOEK-YOEHRIQHSA-N 1 2 332.444 3.530 20 30 EHEDLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000846119010 1137333942 /nfs/dbraw/zinc/33/39/42/1137333942.db2.gz VFJRVHDAZFGOEK-YOEHRIQHSA-N 1 2 332.444 3.530 20 30 EHEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc2c(c1)OCCO2 ZINC000866240477 1137338173 /nfs/dbraw/zinc/33/81/73/1137338173.db2.gz GPMVIELOUFGJMI-DYVFJYSZSA-N 1 2 338.407 3.837 20 30 EHEDLO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1 ZINC000866312277 1137344516 /nfs/dbraw/zinc/34/45/16/1137344516.db2.gz RVVSISUPYIBNHJ-LRDNONRASA-N 1 2 340.423 3.699 20 30 EHEDLO COCCCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1 ZINC000866356628 1137348838 /nfs/dbraw/zinc/34/88/38/1137348838.db2.gz FHUZDFYFMJOQGS-OAHLLOKOSA-N 1 2 340.423 3.530 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001171228146 1137353853 /nfs/dbraw/zinc/35/38/53/1137353853.db2.gz FAXWHIJXYDCUDF-QGZVFWFLSA-N 1 2 342.446 3.869 20 30 EHEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001171228146 1137353855 /nfs/dbraw/zinc/35/38/55/1137353855.db2.gz FAXWHIJXYDCUDF-QGZVFWFLSA-N 1 2 342.446 3.869 20 30 EHEDLO CCOC(=O)C[N@H+](Cc1ccsc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171229075 1137354197 /nfs/dbraw/zinc/35/41/97/1137354197.db2.gz KKFBCNZCLGMZKG-OAHLLOKOSA-N 1 2 342.464 3.616 20 30 EHEDLO CCOC(=O)C[N@@H+](Cc1ccsc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171229075 1137354199 /nfs/dbraw/zinc/35/41/99/1137354199.db2.gz KKFBCNZCLGMZKG-OAHLLOKOSA-N 1 2 342.464 3.616 20 30 EHEDLO N#CCc1ccc[nH+]c1NCCc1ccc(OCc2ccccn2)cc1 ZINC001171424672 1137479610 /nfs/dbraw/zinc/47/96/10/1137479610.db2.gz PBVICYZTXOTSPU-UHFFFAOYSA-N 1 2 344.418 3.776 20 30 EHEDLO C#CC[N@@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CSC1 ZINC001171875866 1137515004 /nfs/dbraw/zinc/51/50/04/1137515004.db2.gz MNIDYXUPFKIDNG-UHFFFAOYSA-N 1 2 343.883 3.656 20 30 EHEDLO C#CC[N@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CSC1 ZINC001171875866 1137515006 /nfs/dbraw/zinc/51/50/06/1137515006.db2.gz MNIDYXUPFKIDNG-UHFFFAOYSA-N 1 2 343.883 3.656 20 30 EHEDLO CCC(C#N)(CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171845740 1137515859 /nfs/dbraw/zinc/51/58/59/1137515859.db2.gz ZSCKHVUXNUSBFB-OAHLLOKOSA-N 1 2 335.492 3.981 20 30 EHEDLO C=C[C@@H](CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000874892701 1137625731 /nfs/dbraw/zinc/62/57/31/1137625731.db2.gz KRASFDOTFIMORW-JXFKEZNVSA-N 1 2 338.426 3.659 20 30 EHEDLO CC[N@H+](CCC#N)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876565147 1137655670 /nfs/dbraw/zinc/65/56/70/1137655670.db2.gz YNZPYGGLAQUDCJ-UHFFFAOYSA-N 1 2 349.500 3.777 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC000876565147 1137655671 /nfs/dbraw/zinc/65/56/71/1137655671.db2.gz YNZPYGGLAQUDCJ-UHFFFAOYSA-N 1 2 349.500 3.777 20 30 EHEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000876863262 1137664085 /nfs/dbraw/zinc/66/40/85/1137664085.db2.gz BZPIEBAVSJLHAP-MRXNPFEDSA-N 1 2 345.512 3.751 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000878303247 1137710339 /nfs/dbraw/zinc/71/03/39/1137710339.db2.gz KXLRLKCISQTSLU-KRWDZBQOSA-N 1 2 336.357 3.621 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CC=C(C(F)(F)F)CC1)c1ccccc1 ZINC000878303247 1137710340 /nfs/dbraw/zinc/71/03/40/1137710340.db2.gz KXLRLKCISQTSLU-KRWDZBQOSA-N 1 2 336.357 3.621 20 30 EHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000881123524 1137800707 /nfs/dbraw/zinc/80/07/07/1137800707.db2.gz PABYKNOGNBGMOZ-HNNXBMFYSA-N 1 2 349.438 3.581 20 30 EHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)o2)c(SC)cc1OC ZINC000093611263 1138238646 /nfs/dbraw/zinc/23/86/46/1138238646.db2.gz JOOGMCXSERSMOH-UHFFFAOYSA-N 1 2 332.425 3.522 20 30 EHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)o2)c(SC)cc1OC ZINC000093611263 1138238648 /nfs/dbraw/zinc/23/86/48/1138238648.db2.gz JOOGMCXSERSMOH-UHFFFAOYSA-N 1 2 332.425 3.522 20 30 EHEDLO CCOc1ccc(O)c(/C=[NH+]\CC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000887270363 1138252422 /nfs/dbraw/zinc/25/24/22/1138252422.db2.gz MPNJPETUGDBZCQ-XESZTULISA-N 1 2 347.455 3.576 20 30 EHEDLO N#CC[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C1CCCC1 ZINC000137567512 1138863595 /nfs/dbraw/zinc/86/35/95/1138863595.db2.gz JTHUZRLFZAJUIL-UHFFFAOYSA-N 1 2 339.361 3.802 20 30 EHEDLO N#CC[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C1CCCC1 ZINC000137567512 1138863607 /nfs/dbraw/zinc/86/36/07/1138863607.db2.gz JTHUZRLFZAJUIL-UHFFFAOYSA-N 1 2 339.361 3.802 20 30 EHEDLO C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)[C@@H]1c1cccc(F)c1 ZINC000175151524 1139468260 /nfs/dbraw/zinc/46/82/60/1139468260.db2.gz WILOIMFGNRNKDL-SJCJKPOMSA-N 1 2 343.427 3.780 20 30 EHEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)[C@@H]1c1cccc(F)c1 ZINC000175151524 1139468264 /nfs/dbraw/zinc/46/82/64/1139468264.db2.gz WILOIMFGNRNKDL-SJCJKPOMSA-N 1 2 343.427 3.780 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cc3ccccc3o2)c(C#N)c1C ZINC000175197301 1139471899 /nfs/dbraw/zinc/47/18/99/1139471899.db2.gz ODWQOHZWNWVIGM-UHFFFAOYSA-N 1 2 337.379 3.585 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cc3ccccc3o2)c(C#N)c1C ZINC000175197301 1139471902 /nfs/dbraw/zinc/47/19/02/1139471902.db2.gz ODWQOHZWNWVIGM-UHFFFAOYSA-N 1 2 337.379 3.585 20 30 EHEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)Cc2ccccc2Cl)cs1 ZINC000177565232 1139627144 /nfs/dbraw/zinc/62/71/44/1139627144.db2.gz XRGSMHUJIOPYHJ-JTQLQIEISA-N 1 2 339.848 3.535 20 30 EHEDLO COc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1OCCCC#N ZINC000179568615 1139765561 /nfs/dbraw/zinc/76/55/61/1139765561.db2.gz SITNLLAJHDALES-INIZCTEOSA-N 1 2 339.439 3.756 20 30 EHEDLO COc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1OCCCC#N ZINC000179568615 1139765565 /nfs/dbraw/zinc/76/55/65/1139765565.db2.gz SITNLLAJHDALES-INIZCTEOSA-N 1 2 339.439 3.756 20 30 EHEDLO C#CC[N@@H+](CC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000266967255 1140744773 /nfs/dbraw/zinc/74/47/73/1140744773.db2.gz YQPBODQUKKZUJN-NEPJUHHUSA-N 1 2 329.469 3.538 20 30 EHEDLO C#CC[N@H+](CC)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000266967255 1140744777 /nfs/dbraw/zinc/74/47/77/1140744777.db2.gz YQPBODQUKKZUJN-NEPJUHHUSA-N 1 2 329.469 3.538 20 30 EHEDLO Cc1oc(NC(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)c(C#N)c1C ZINC000269496243 1141115822 /nfs/dbraw/zinc/11/58/22/1141115822.db2.gz NBRAOEGCAVBDLV-UHFFFAOYSA-N 1 2 341.386 3.510 20 30 EHEDLO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)c(C#N)c1C ZINC000269496243 1141115824 /nfs/dbraw/zinc/11/58/24/1141115824.db2.gz NBRAOEGCAVBDLV-UHFFFAOYSA-N 1 2 341.386 3.510 20 30 EHEDLO CC(C)C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000602134771 1032662935 /nfs/dbraw/zinc/66/29/35/1032662935.db2.gz WDQAKOYVUWFCBD-HXUWFJFHSA-N 1 2 348.450 3.658 20 30 EHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1F ZINC000092567978 1017796429 /nfs/dbraw/zinc/79/64/29/1017796429.db2.gz GVKONHKYLHKVCD-UHFFFAOYSA-N 1 2 334.341 3.624 20 30 EHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1F ZINC000092567978 1017796441 /nfs/dbraw/zinc/79/64/41/1017796441.db2.gz GVKONHKYLHKVCD-UHFFFAOYSA-N 1 2 334.341 3.624 20 30 EHEDLO C=CCCCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000472848427 1018281819 /nfs/dbraw/zinc/28/18/19/1018281819.db2.gz LVPDXRMKRMFLQA-IBGZPJMESA-N 1 2 340.471 3.897 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000083243519 1018569120 /nfs/dbraw/zinc/56/91/20/1018569120.db2.gz IDIAUJOOIOIDEU-QGZVFWFLSA-N 1 2 344.480 3.524 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000083243519 1018569129 /nfs/dbraw/zinc/56/91/29/1018569129.db2.gz IDIAUJOOIOIDEU-QGZVFWFLSA-N 1 2 344.480 3.524 20 30 EHEDLO CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000261460514 1019367750 /nfs/dbraw/zinc/36/77/50/1019367750.db2.gz LVGUBCXUOOPYRN-CQSZACIVSA-N 1 2 337.427 3.622 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)CCC2)cc1 ZINC000594032895 1032832953 /nfs/dbraw/zinc/83/29/53/1032832953.db2.gz CTGZWAJFGKFTBT-UHFFFAOYSA-N 1 2 343.333 3.914 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000345907313 1020603302 /nfs/dbraw/zinc/60/33/02/1020603302.db2.gz REVDZYAPZPXAIY-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000345907313 1020603307 /nfs/dbraw/zinc/60/33/07/1020603307.db2.gz REVDZYAPZPXAIY-GOSISDBHSA-N 1 2 338.382 3.806 20 30 EHEDLO C=C[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000123703205 1020646214 /nfs/dbraw/zinc/64/62/14/1020646214.db2.gz JMDOLPMPIJEWLL-QGZVFWFLSA-N 1 2 340.492 3.752 20 30 EHEDLO C=CC[S@@](=O)(=NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccccc1 ZINC000891383013 1020824618 /nfs/dbraw/zinc/82/46/18/1020824618.db2.gz VHGVQCBLPFPVPA-XDHUDOTRSA-N 1 2 345.468 3.710 20 30 EHEDLO Cc1cn2cc(NC(=O)NC3(c4ccc(C#N)cc4)CCC3)ccc2[nH+]1 ZINC000594065979 1032937393 /nfs/dbraw/zinc/93/73/93/1032937393.db2.gz FOXFOWMSFRSYPH-UHFFFAOYSA-N 1 2 345.406 3.715 20 30 EHEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000897629236 1033025207 /nfs/dbraw/zinc/02/52/07/1033025207.db2.gz HYDLVBBFFHARKZ-UHFFFAOYSA-N 1 2 349.843 3.531 20 30 EHEDLO CC[C@@H]1c2ccsc2CCN1C([O-])=[NH+]C[C@H]1CCCn2cc[nH+]c21 ZINC000328623536 1022451191 /nfs/dbraw/zinc/45/11/91/1022451191.db2.gz YYMFRIRPUXSULJ-UKRRQHHQSA-N 1 2 344.484 3.745 20 30 EHEDLO CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328601377 1022462875 /nfs/dbraw/zinc/46/28/75/1022462875.db2.gz FJGULEUKVUSOKK-CGTJXYLNSA-N 1 2 333.476 3.776 20 30 EHEDLO N#Cc1cc(NC(=O)CCCn2cc[nH+]c2)ccc1Oc1ccccc1 ZINC000614546668 1022475865 /nfs/dbraw/zinc/47/58/65/1022475865.db2.gz NZDFIPMZTIASBW-UHFFFAOYSA-N 1 2 346.390 3.966 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)c2cc(C#N)nc3ccccc32)c1C ZINC000610575576 1022607834 /nfs/dbraw/zinc/60/78/34/1022607834.db2.gz XQBAPGXHWRKYPC-UHFFFAOYSA-N 1 2 332.407 3.763 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000331356970 1022799709 /nfs/dbraw/zinc/79/97/09/1022799709.db2.gz SPMPNHOSWGYBCE-CWSCBRNRSA-N 1 2 326.227 3.602 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC000610604322 1022984264 /nfs/dbraw/zinc/98/42/64/1022984264.db2.gz PEUJAZGAEJWOBL-QRVBRYPASA-N 1 2 334.419 3.598 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC000610604322 1022984274 /nfs/dbraw/zinc/98/42/74/1022984274.db2.gz PEUJAZGAEJWOBL-QRVBRYPASA-N 1 2 334.419 3.598 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CCO2)c1 ZINC000341795867 1023331413 /nfs/dbraw/zinc/33/14/13/1023331413.db2.gz ARZTUNIGYPJXJX-SFHVURJKSA-N 1 2 344.361 3.733 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CCO2)c1 ZINC000341795867 1023331417 /nfs/dbraw/zinc/33/14/17/1023331417.db2.gz ARZTUNIGYPJXJX-SFHVURJKSA-N 1 2 344.361 3.733 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC=C(c3ccccc3)C2)c(C#N)c1C ZINC000341975659 1023729754 /nfs/dbraw/zinc/72/97/54/1023729754.db2.gz JOVMUPUVRNEMFY-HNNXBMFYSA-N 1 2 349.434 3.884 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC=C(c3ccccc3)C2)c(C#N)c1C ZINC000341975659 1023729759 /nfs/dbraw/zinc/72/97/59/1023729759.db2.gz JOVMUPUVRNEMFY-HNNXBMFYSA-N 1 2 349.434 3.884 20 30 EHEDLO CC[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Br ZINC000610991912 1023972507 /nfs/dbraw/zinc/97/25/07/1023972507.db2.gz WGPMGFFXTLVNCO-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Br ZINC000610991912 1023972522 /nfs/dbraw/zinc/97/25/22/1023972522.db2.gz WGPMGFFXTLVNCO-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO C[C@@H]1CCCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330155507 1024336627 /nfs/dbraw/zinc/33/66/27/1024336627.db2.gz ODJWYKGKOWBVLD-HUUCEWRRSA-N 1 2 332.492 3.531 20 30 EHEDLO O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330205665 1024354320 /nfs/dbraw/zinc/35/43/20/1024354320.db2.gz DOWSDOPRRAKTJS-CYBMUJFWSA-N 1 2 340.418 3.719 20 30 EHEDLO Cc1cn2cc(NC(=O)N[C@@H]3CCOC4(CCCCC4)C3)ccc2[nH+]1 ZINC000330238863 1024367354 /nfs/dbraw/zinc/36/73/54/1024367354.db2.gz DOGBIZHGTXOFQV-OAHLLOKOSA-N 1 2 342.443 3.851 20 30 EHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCCOCC3)n2)C1 ZINC000330261420 1024374597 /nfs/dbraw/zinc/37/45/97/1024374597.db2.gz PCRALNIPEXGJRO-KBPBESRZSA-N 1 2 337.489 3.780 20 30 EHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCCOCC3)n2)C1 ZINC000330261420 1024374610 /nfs/dbraw/zinc/37/46/10/1024374610.db2.gz PCRALNIPEXGJRO-KBPBESRZSA-N 1 2 337.489 3.780 20 30 EHEDLO CC[C@H](C#N)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000127000828 1024750568 /nfs/dbraw/zinc/75/05/68/1024750568.db2.gz YAYMMZYDCJYVHF-BXUZGUMPSA-N 1 2 349.891 3.938 20 30 EHEDLO CC[N@H+](CCC#N)Cc1ccc(I)c(Cl)c1 ZINC000436146952 1025417197 /nfs/dbraw/zinc/41/71/97/1025417197.db2.gz BVFSODCIJVFTIN-UHFFFAOYSA-N 1 2 348.615 3.680 20 30 EHEDLO CC[N@@H+](CCC#N)Cc1ccc(I)c(Cl)c1 ZINC000436146952 1025417211 /nfs/dbraw/zinc/41/72/11/1025417211.db2.gz BVFSODCIJVFTIN-UHFFFAOYSA-N 1 2 348.615 3.680 20 30 EHEDLO O=C(NCc1nc2cc(Cl)ccc2s1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329007977 1025569495 /nfs/dbraw/zinc/56/94/95/1025569495.db2.gz YOFQQLPIXUZQME-SNVBAGLBSA-N 1 2 346.843 3.865 20 30 EHEDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)C1CCOCC1 ZINC000329113150 1025610209 /nfs/dbraw/zinc/61/02/09/1025610209.db2.gz RSTKDRSPGOLMCI-UHFFFAOYSA-N 1 2 325.412 3.901 20 30 EHEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000505839286 1025810221 /nfs/dbraw/zinc/81/02/21/1025810221.db2.gz QZQHFMYOMICFNP-KRWDZBQOSA-N 1 2 336.782 3.520 20 30 EHEDLO Cc1cc(C)nc([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1 ZINC000329573268 1026025227 /nfs/dbraw/zinc/02/52/27/1026025227.db2.gz AIRMNZXUGSCEDH-CQSZACIVSA-N 1 2 341.459 3.533 20 30 EHEDLO N#CC1(Cc2nc(Cc3ccc(-n4cc[nH+]c4)cc3)no2)CCCCC1 ZINC000896820763 1026081139 /nfs/dbraw/zinc/08/11/39/1026081139.db2.gz LOORYMDHUXDLBZ-UHFFFAOYSA-N 1 2 347.422 3.863 20 30 EHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000451735285 1026271230 /nfs/dbraw/zinc/27/12/30/1026271230.db2.gz NGCXFBXHWPRLCL-MJGOQNOKSA-N 1 2 345.874 3.675 20 30 EHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000451735285 1026271238 /nfs/dbraw/zinc/27/12/38/1026271238.db2.gz NGCXFBXHWPRLCL-MJGOQNOKSA-N 1 2 345.874 3.675 20 30 EHEDLO C[N@H+](Cc1cscn1)Cc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000582644593 1026859486 /nfs/dbraw/zinc/85/94/86/1026859486.db2.gz DPZRBAJCYDSMJC-PBHICJAKSA-N 1 2 326.469 3.879 20 30 EHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000582644593 1026859498 /nfs/dbraw/zinc/85/94/98/1026859498.db2.gz DPZRBAJCYDSMJC-PBHICJAKSA-N 1 2 326.469 3.879 20 30 EHEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000501213157 1027139394 /nfs/dbraw/zinc/13/93/94/1027139394.db2.gz YLOLPBBNCQYTHP-IIBYNOLFSA-N 1 2 336.435 3.837 20 30 EHEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000501213157 1027139400 /nfs/dbraw/zinc/13/94/00/1027139400.db2.gz YLOLPBBNCQYTHP-IIBYNOLFSA-N 1 2 336.435 3.837 20 30 EHEDLO N#Cc1cccc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c1F ZINC000347334090 1027753976 /nfs/dbraw/zinc/75/39/76/1027753976.db2.gz MFDIBLJNZNWTET-RHSMWYFYSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1cccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c1F ZINC000347334090 1027753994 /nfs/dbraw/zinc/75/39/94/1027753994.db2.gz MFDIBLJNZNWTET-RHSMWYFYSA-N 1 2 342.439 3.698 20 30 EHEDLO C=C(C)CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455330512 1028012989 /nfs/dbraw/zinc/01/29/89/1028012989.db2.gz VCTSVMONBRTDNE-GOSISDBHSA-N 1 2 326.444 3.507 20 30 EHEDLO COC(=O)C[N@H+](CCCCC(C)(C)C#N)Cc1ccc(F)c(F)c1 ZINC000444623964 1028096706 /nfs/dbraw/zinc/09/67/06/1028096706.db2.gz CYOOBSNBVZXTGW-UHFFFAOYSA-N 1 2 338.398 3.660 20 30 EHEDLO COC(=O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(F)c(F)c1 ZINC000444623964 1028096726 /nfs/dbraw/zinc/09/67/26/1028096726.db2.gz CYOOBSNBVZXTGW-UHFFFAOYSA-N 1 2 338.398 3.660 20 30 EHEDLO CC(C)(C#N)CCCC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000444647853 1028111213 /nfs/dbraw/zinc/11/12/13/1028111213.db2.gz HXFZFCMXHLCGSQ-UHFFFAOYSA-N 1 2 347.890 3.704 20 30 EHEDLO CC(C)(C#N)CCCC[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000444647853 1028111237 /nfs/dbraw/zinc/11/12/37/1028111237.db2.gz HXFZFCMXHLCGSQ-UHFFFAOYSA-N 1 2 347.890 3.704 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444798332 1028272831 /nfs/dbraw/zinc/27/28/31/1028272831.db2.gz ZHXOBAVLUZOJJR-HKUYNNGSSA-N 1 2 347.890 3.921 20 30 EHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444798332 1028272848 /nfs/dbraw/zinc/27/28/48/1028272848.db2.gz ZHXOBAVLUZOJJR-HKUYNNGSSA-N 1 2 347.890 3.921 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc2c1OCCCO2 ZINC000162249120 1028530519 /nfs/dbraw/zinc/53/05/19/1028530519.db2.gz NHDVTHYKJQZIGG-UHFFFAOYSA-N 1 2 339.395 3.538 20 30 EHEDLO CC[N@@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H](O)C(F)(F)F ZINC000428395783 1028630622 /nfs/dbraw/zinc/63/06/22/1028630622.db2.gz FJCBFKCTWMSUHW-LLVKDONJSA-N 1 2 333.247 3.590 20 30 EHEDLO CC[N@H+](Cc1cc(C(F)(F)F)ccc1F)C[C@@H](O)C(F)(F)F ZINC000428395783 1028630627 /nfs/dbraw/zinc/63/06/27/1028630627.db2.gz FJCBFKCTWMSUHW-LLVKDONJSA-N 1 2 333.247 3.590 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2csc(C#N)c2)C1 ZINC000894286450 1028686050 /nfs/dbraw/zinc/68/60/50/1028686050.db2.gz XYWJWJCCOOMFMU-GOSISDBHSA-N 1 2 347.484 3.595 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2csc(C#N)c2)C1 ZINC000894286450 1028686063 /nfs/dbraw/zinc/68/60/63/1028686063.db2.gz XYWJWJCCOOMFMU-GOSISDBHSA-N 1 2 347.484 3.595 20 30 EHEDLO Cc1nc(C)c(C#N)c(SCc2c[nH+]cn2Cc2ccccc2)n1 ZINC000445592836 1028972492 /nfs/dbraw/zinc/97/24/92/1028972492.db2.gz NJJXZSPCZQCWEH-UHFFFAOYSA-N 1 2 335.436 3.502 20 30 EHEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)cnc3c(C)cc(C)cc31)CCC2 ZINC000533101698 1029307162 /nfs/dbraw/zinc/30/71/62/1029307162.db2.gz VWYAHBKNNANFHG-INIZCTEOSA-N 1 2 345.450 3.640 20 30 EHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000272615317 1029533927 /nfs/dbraw/zinc/53/39/27/1029533927.db2.gz TWLNVCZIBHDTTR-CYBMUJFWSA-N 1 2 349.862 3.610 20 30 EHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000533280525 1029590559 /nfs/dbraw/zinc/59/05/59/1029590559.db2.gz IBTCAIIVTBCKTR-CYBMUJFWSA-N 1 2 337.261 3.737 20 30 EHEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000428688143 1029900566 /nfs/dbraw/zinc/90/05/66/1029900566.db2.gz YWEYSKZJQMOBPJ-UHFFFAOYSA-N 1 2 334.345 3.746 20 30 EHEDLO CC[C@H](CC#N)[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000156652607 1029918844 /nfs/dbraw/zinc/91/88/44/1029918844.db2.gz CSVZYJULHQKORG-MRXNPFEDSA-N 1 2 329.444 3.766 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1cccs1 ZINC000525782752 1030118945 /nfs/dbraw/zinc/11/89/45/1030118945.db2.gz IALFVWCEZQQCBJ-KRWDZBQOSA-N 1 2 342.508 3.792 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)Cc1ccccc1C)Cc1cccs1 ZINC000525782752 1030118950 /nfs/dbraw/zinc/11/89/50/1030118950.db2.gz IALFVWCEZQQCBJ-KRWDZBQOSA-N 1 2 342.508 3.792 20 30 EHEDLO C[NH+](C)Cc1cccc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000453794071 1030517622 /nfs/dbraw/zinc/51/76/22/1030517622.db2.gz POPCSBUURBXTGJ-HNNXBMFYSA-N 1 2 347.340 3.652 20 30 EHEDLO C[NH+](C)Cc1cccc(C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000453794071 1030517630 /nfs/dbraw/zinc/51/76/30/1030517630.db2.gz POPCSBUURBXTGJ-HNNXBMFYSA-N 1 2 347.340 3.652 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000482915184 1030809495 /nfs/dbraw/zinc/80/94/95/1030809495.db2.gz DITSMIDUNHXWKC-LJQANCHMSA-N 1 2 337.398 3.863 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000482915184 1030809513 /nfs/dbraw/zinc/80/95/13/1030809513.db2.gz DITSMIDUNHXWKC-LJQANCHMSA-N 1 2 337.398 3.863 20 30 EHEDLO CCc1ccc([C@@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)cc1 ZINC000484548260 1031712195 /nfs/dbraw/zinc/71/21/95/1031712195.db2.gz BHRBPRXXRDUXRH-NRFANRHFSA-N 1 2 336.435 3.573 20 30 EHEDLO CCc1ccc([C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)cc1 ZINC000484548260 1031712209 /nfs/dbraw/zinc/71/22/09/1031712209.db2.gz BHRBPRXXRDUXRH-NRFANRHFSA-N 1 2 336.435 3.573 20 30 EHEDLO C=CCc1cc(C[N@H+](CC(F)F)CC2CCC2)c(O)c(OC)c1 ZINC000761290145 1033519988 /nfs/dbraw/zinc/51/99/88/1033519988.db2.gz GBTZZDQHQNHQNS-UHFFFAOYSA-N 1 2 325.399 3.997 20 30 EHEDLO C=CCc1cc(C[N@@H+](CC(F)F)CC2CCC2)c(O)c(OC)c1 ZINC000761290145 1033519998 /nfs/dbraw/zinc/51/99/98/1033519998.db2.gz GBTZZDQHQNHQNS-UHFFFAOYSA-N 1 2 325.399 3.997 20 30 EHEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686193 1034112474 /nfs/dbraw/zinc/11/24/74/1034112474.db2.gz NVRHMFQIFSCRJO-HNNXBMFYSA-N 1 2 344.418 3.922 20 30 EHEDLO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686193 1034112480 /nfs/dbraw/zinc/11/24/80/1034112480.db2.gz NVRHMFQIFSCRJO-HNNXBMFYSA-N 1 2 344.418 3.922 20 30 EHEDLO N#Cc1c(Cl)nsc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000076836294 1034285554 /nfs/dbraw/zinc/28/55/54/1034285554.db2.gz IAKHZQOZORVYNE-UHFFFAOYSA-N 1 2 333.848 3.666 20 30 EHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CC2(C#N)CCCCC2)c1C ZINC000596995637 1034498578 /nfs/dbraw/zinc/49/85/78/1034498578.db2.gz NVXVLPITRNMASB-UHFFFAOYSA-N 1 2 329.444 3.530 20 30 EHEDLO Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000597025466 1034502242 /nfs/dbraw/zinc/50/22/42/1034502242.db2.gz ATZUBTHZRLRJDQ-ICSRJNTNSA-N 1 2 334.467 3.959 20 30 EHEDLO Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000597025466 1034502252 /nfs/dbraw/zinc/50/22/52/1034502252.db2.gz ATZUBTHZRLRJDQ-ICSRJNTNSA-N 1 2 334.467 3.959 20 30 EHEDLO C=CCC1(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CCCC1 ZINC000456514927 1034525867 /nfs/dbraw/zinc/52/58/67/1034525867.db2.gz XOWQFCQUHGGVNZ-HNNXBMFYSA-N 1 2 329.488 3.891 20 30 EHEDLO C=CCC1(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CCCC1 ZINC000456514927 1034525875 /nfs/dbraw/zinc/52/58/75/1034525875.db2.gz XOWQFCQUHGGVNZ-HNNXBMFYSA-N 1 2 329.488 3.891 20 30 EHEDLO CN(c1ccccc1)c1ccc(C[NH+]2CC(CC#N)C2)cc1[N+](=O)[O-] ZINC000597194306 1034579998 /nfs/dbraw/zinc/57/99/98/1034579998.db2.gz RGAGOSHIRABPFC-UHFFFAOYSA-N 1 2 336.395 3.708 20 30 EHEDLO COc1sc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Br ZINC000597177999 1034584255 /nfs/dbraw/zinc/58/42/55/1034584255.db2.gz TVABXPRIWCFWKO-JTQLQIEISA-N 1 2 329.263 3.645 20 30 EHEDLO COc1sc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Br ZINC000597177999 1034584263 /nfs/dbraw/zinc/58/42/63/1034584263.db2.gz TVABXPRIWCFWKO-JTQLQIEISA-N 1 2 329.263 3.645 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000060478695 1034601020 /nfs/dbraw/zinc/60/10/20/1034601020.db2.gz KTKVHVPWIIQMPF-CYBMUJFWSA-N 1 2 328.362 3.578 20 30 EHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000060478695 1034601030 /nfs/dbraw/zinc/60/10/30/1034601030.db2.gz KTKVHVPWIIQMPF-CYBMUJFWSA-N 1 2 328.362 3.578 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(c3nccc4sccc43)CC2)s1 ZINC000581694316 1035546345 /nfs/dbraw/zinc/54/63/45/1035546345.db2.gz MDVDPMGOBSSUCB-UHFFFAOYSA-N 1 2 340.477 3.552 20 30 EHEDLO CCn1c2ccc(Cl)cc2[nH+]c1NCc1ccc(C#N)cc1F ZINC000463525679 1035585079 /nfs/dbraw/zinc/58/50/79/1035585079.db2.gz JGICRQOZYXVEJW-UHFFFAOYSA-N 1 2 328.778 3.754 20 30 EHEDLO C=CCc1cc(C[N@@H+](C)Cc2ncc(CC)s2)c(O)c(OC)c1 ZINC000164447464 1035620534 /nfs/dbraw/zinc/62/05/34/1035620534.db2.gz VTCDKHBCRPSVGS-UHFFFAOYSA-N 1 2 332.469 3.780 20 30 EHEDLO C=CCc1cc(C[N@H+](C)Cc2ncc(CC)s2)c(O)c(OC)c1 ZINC000164447464 1035620544 /nfs/dbraw/zinc/62/05/44/1035620544.db2.gz VTCDKHBCRPSVGS-UHFFFAOYSA-N 1 2 332.469 3.780 20 30 EHEDLO Cc1cc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)ccc1C#N ZINC000443967401 1036082402 /nfs/dbraw/zinc/08/24/02/1036082402.db2.gz CXSOGEPWFPOWPV-IBGZPJMESA-N 1 2 334.398 3.619 20 30 EHEDLO CC(C)(C)C1=CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000535406947 1036450514 /nfs/dbraw/zinc/45/05/14/1036450514.db2.gz RQMAHGZMOYEPFO-UHFFFAOYSA-N 1 2 331.847 3.828 20 30 EHEDLO CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000535406947 1036450521 /nfs/dbraw/zinc/45/05/21/1036450521.db2.gz RQMAHGZMOYEPFO-UHFFFAOYSA-N 1 2 331.847 3.828 20 30 EHEDLO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccon1 ZINC000541779763 1036634284 /nfs/dbraw/zinc/63/42/84/1036634284.db2.gz HYFQSVUFMMHVDC-HNNXBMFYSA-N 1 2 333.391 3.976 20 30 EHEDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539609009 1036972845 /nfs/dbraw/zinc/97/28/45/1036972845.db2.gz AXENKUQLLBWHNB-AUUYWEPGSA-N 1 2 334.398 3.871 20 30 EHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)CCCCC1 ZINC000052210331 1037122270 /nfs/dbraw/zinc/12/22/70/1037122270.db2.gz UWVUOMQZHZWEKY-KRWDZBQOSA-N 1 2 345.874 3.820 20 30 EHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)CCCCC1 ZINC000052210331 1037122286 /nfs/dbraw/zinc/12/22/86/1037122286.db2.gz UWVUOMQZHZWEKY-KRWDZBQOSA-N 1 2 345.874 3.820 20 30 EHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Br ZINC000180912210 1037297683 /nfs/dbraw/zinc/29/76/83/1037297683.db2.gz DRGAFOXKYLDNDC-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Br ZINC000180912210 1037297670 /nfs/dbraw/zinc/29/76/70/1037297670.db2.gz DRGAFOXKYLDNDC-UHFFFAOYSA-N 1 2 340.224 3.824 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1nc2ccccc2s1 ZINC000491364992 1037422742 /nfs/dbraw/zinc/42/27/42/1037422742.db2.gz CCZCMNBPMLQBAS-UHFFFAOYSA-N 1 2 341.436 3.559 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1nc2ccccc2s1 ZINC000491364992 1037422750 /nfs/dbraw/zinc/42/27/50/1037422750.db2.gz CCZCMNBPMLQBAS-UHFFFAOYSA-N 1 2 341.436 3.559 20 30 EHEDLO CCOC(=O)c1sc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)nc1C ZINC000151782791 1037649719 /nfs/dbraw/zinc/64/97/19/1037649719.db2.gz XEISCIROJDLXFW-YPMHNXCESA-N 1 2 343.452 3.912 20 30 EHEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000538724103 1038489444 /nfs/dbraw/zinc/48/94/44/1038489444.db2.gz RTFLYDAAJQVDKV-PBHICJAKSA-N 1 2 332.469 3.564 20 30 EHEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000538724103 1038489449 /nfs/dbraw/zinc/48/94/49/1038489449.db2.gz RTFLYDAAJQVDKV-PBHICJAKSA-N 1 2 332.469 3.564 20 30 EHEDLO C[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1ccc(C#N)cc1 ZINC000190172848 1038688006 /nfs/dbraw/zinc/68/80/06/1038688006.db2.gz RFERGVGVVHLWAP-UHFFFAOYSA-N 1 2 338.361 3.654 20 30 EHEDLO C[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1ccc(C#N)cc1 ZINC000190172848 1038688009 /nfs/dbraw/zinc/68/80/09/1038688009.db2.gz RFERGVGVVHLWAP-UHFFFAOYSA-N 1 2 338.361 3.654 20 30 EHEDLO C=C[C@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000488295081 1039062039 /nfs/dbraw/zinc/06/20/39/1039062039.db2.gz HZVDXTCUMMFLOZ-INIZCTEOSA-N 1 2 340.427 3.535 20 30 EHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000660299136 1040289097 /nfs/dbraw/zinc/28/90/97/1040289097.db2.gz XYCBWQIAAAIDSQ-QZTJIDSGSA-N 1 2 342.487 3.616 20 30 EHEDLO N#CCCC[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1ccccc1 ZINC000433018118 1040461247 /nfs/dbraw/zinc/46/12/47/1040461247.db2.gz CQSFFEZWWHXLNQ-ZDUSSCGKSA-N 1 2 338.333 3.699 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000667541555 1040549105 /nfs/dbraw/zinc/54/91/05/1040549105.db2.gz UFKUMNHEFQEBCO-LJQANCHMSA-N 1 2 333.497 3.519 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000667541555 1040549120 /nfs/dbraw/zinc/54/91/20/1040549120.db2.gz UFKUMNHEFQEBCO-LJQANCHMSA-N 1 2 333.497 3.519 20 30 EHEDLO CC#CCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000155034370 1125777529 /nfs/dbraw/zinc/77/75/29/1125777529.db2.gz YNOAJIMBWNJJFT-ZDUSSCGKSA-N 1 2 332.448 3.535 20 30 EHEDLO C=CC[C@H]1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000624135264 1127254852 /nfs/dbraw/zinc/25/48/52/1127254852.db2.gz YKWKFKBNKXUAJO-AWEZNQCLSA-N 1 2 344.846 3.633 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)C[C@H](C)CC)c1=S ZINC000764985952 1127560424 /nfs/dbraw/zinc/56/04/24/1127560424.db2.gz CEKORLRUNZWZJP-CQSZACIVSA-N 1 2 331.489 3.597 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)C[C@H](C)CC)c1=S ZINC000764985952 1127560425 /nfs/dbraw/zinc/56/04/25/1127560425.db2.gz CEKORLRUNZWZJP-CQSZACIVSA-N 1 2 331.489 3.597 20 30 EHEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000265571379 1127772144 /nfs/dbraw/zinc/77/21/44/1127772144.db2.gz DXXWPJAHOUJNRH-YPCHGGDPSA-N 1 2 338.476 3.567 20 30 EHEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000265571379 1127772146 /nfs/dbraw/zinc/77/21/46/1127772146.db2.gz DXXWPJAHOUJNRH-YPCHGGDPSA-N 1 2 338.476 3.567 20 30 EHEDLO N#Cc1c(Cl)ccc(Nc2ccc[nH+]c2N2CCOCC2)c1Cl ZINC001212368687 1128058147 /nfs/dbraw/zinc/05/81/47/1128058147.db2.gz KAVYTIHNEIGCME-UHFFFAOYSA-N 1 2 349.221 3.840 20 30 EHEDLO C#CCN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCCc2ccccc21 ZINC001670977986 1128404290 /nfs/dbraw/zinc/40/42/90/1128404290.db2.gz XBSXNKQMLBCGTD-IBGZPJMESA-N 1 2 344.418 3.879 20 30 EHEDLO Cc1cc(NC[C@H](C)Cn2cc[nH+]c2)n2c3ccccc3nc2c1C#N ZINC000301156387 1128575885 /nfs/dbraw/zinc/57/58/85/1128575885.db2.gz NIAMWWQIDUQRFZ-AWEZNQCLSA-N 1 2 344.422 3.612 20 30 EHEDLO Cc1cc2ccccc2[nH+]c1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000301710891 1128603092 /nfs/dbraw/zinc/60/30/92/1128603092.db2.gz HVNDYRQXXCISED-UHFFFAOYSA-N 1 2 343.434 3.891 20 30 EHEDLO N#Cc1cc(F)ccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000302087201 1128618951 /nfs/dbraw/zinc/61/89/51/1128618951.db2.gz ADOUNRMCVQISPA-UHFFFAOYSA-N 1 2 346.409 3.699 20 30 EHEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000302103047 1128620169 /nfs/dbraw/zinc/62/01/69/1128620169.db2.gz MAXBYHQVXNEINO-VMPITWQZSA-N 1 2 345.446 3.596 20 30 EHEDLO COc1ccc(CC[N@H+](CCC#N)Cc2ccsc2)cc1OC ZINC000494548878 1120591956 /nfs/dbraw/zinc/59/19/56/1120591956.db2.gz OWXNFNTYOZKFRK-UHFFFAOYSA-N 1 2 330.453 3.724 20 30 EHEDLO COc1ccc(CC[N@@H+](CCC#N)Cc2ccsc2)cc1OC ZINC000494548878 1120591960 /nfs/dbraw/zinc/59/19/60/1120591960.db2.gz OWXNFNTYOZKFRK-UHFFFAOYSA-N 1 2 330.453 3.724 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCOc3ccc(F)cc3)CCO2)c1 ZINC000761758002 1120885937 /nfs/dbraw/zinc/88/59/37/1120885937.db2.gz ONZLADAXJJVRTF-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)CCO2)c1 ZINC000761758002 1120885943 /nfs/dbraw/zinc/88/59/43/1120885943.db2.gz ONZLADAXJJVRTF-FQEVSTJZSA-N 1 2 340.398 3.540 20 30 EHEDLO COc1cc(F)ccc1N[NH+]=C(C)c1cccc(N2CCOCC2)c1 ZINC000761884557 1121003112 /nfs/dbraw/zinc/00/31/12/1121003112.db2.gz JORSRAVFJPFQGY-UHFFFAOYSA-N 1 2 343.402 3.507 20 30 EHEDLO Cc1ccnc(OC2CC[NH+](CC#Cc3ccccc3Cl)CC2)c1 ZINC000542977832 1128979897 /nfs/dbraw/zinc/97/98/97/1128979897.db2.gz QQUMIBQVXNWUJC-UHFFFAOYSA-N 1 2 340.854 3.938 20 30 EHEDLO CC(=[NH+]Nc1cccc2ncccc21)c1ccc(N2CCOCC2)cc1 ZINC000915964528 1122009694 /nfs/dbraw/zinc/00/96/94/1122009694.db2.gz BHNLLGHFXSIXLY-UHFFFAOYSA-N 1 2 346.434 3.908 20 30 EHEDLO C=CCc1ccccc1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000916859036 1122370696 /nfs/dbraw/zinc/37/06/96/1122370696.db2.gz JJWGPRXGVWMPKH-UHFFFAOYSA-N 1 2 349.346 3.728 20 30 EHEDLO CC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1C#N ZINC000312231352 1129074814 /nfs/dbraw/zinc/07/48/14/1129074814.db2.gz AKTOELUEDQWZMA-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1C#N ZINC000312231352 1129074818 /nfs/dbraw/zinc/07/48/18/1129074818.db2.gz AKTOELUEDQWZMA-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO NC(=[NH+]OCc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000918733739 1122901055 /nfs/dbraw/zinc/90/10/55/1122901055.db2.gz SNRKNXPFHLAGLI-UHFFFAOYSA-N 1 2 326.730 3.779 20 30 EHEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180057058 1123929367 /nfs/dbraw/zinc/92/93/67/1123929367.db2.gz XAXBNUDMUYNZDW-VIFPVBQESA-N 1 2 333.176 3.784 20 30 EHEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000180057058 1123929370 /nfs/dbraw/zinc/92/93/70/1123929370.db2.gz XAXBNUDMUYNZDW-VIFPVBQESA-N 1 2 333.176 3.784 20 30 EHEDLO N#CCCCn1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c2ccccc21 ZINC000618212319 1125022238 /nfs/dbraw/zinc/02/22/38/1125022238.db2.gz HRFNIIUPSYPUFI-UHFFFAOYSA-N 1 2 343.390 3.845 20 30 EHEDLO C[C@H](C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000785463666 1129266778 /nfs/dbraw/zinc/26/67/78/1129266778.db2.gz TUWGHDKARVHMST-KBAYOESNSA-N 1 2 343.471 3.671 20 30 EHEDLO C[C@H](C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000785463666 1129266780 /nfs/dbraw/zinc/26/67/80/1129266780.db2.gz TUWGHDKARVHMST-KBAYOESNSA-N 1 2 343.471 3.671 20 30 EHEDLO C=CCc1cc(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cc(OC)c1O ZINC000922520519 1129560259 /nfs/dbraw/zinc/56/02/59/1129560259.db2.gz NLSLMPFJYQSXAG-LPHOPBHVSA-N 1 2 343.398 3.691 20 30 EHEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1-c1ccccc1C#N ZINC000154978272 1129602419 /nfs/dbraw/zinc/60/24/19/1129602419.db2.gz NCCCTGSHAMMALF-UHFFFAOYSA-N 1 2 344.418 3.584 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000728044358 1130620870 /nfs/dbraw/zinc/62/08/70/1130620870.db2.gz VCGXQDMEVWVHBW-INIZCTEOSA-N 1 2 342.508 3.723 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000728044358 1130620873 /nfs/dbraw/zinc/62/08/73/1130620873.db2.gz VCGXQDMEVWVHBW-INIZCTEOSA-N 1 2 342.508 3.723 20 30 EHEDLO C=C(Cl)C[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000741157884 1131581505 /nfs/dbraw/zinc/58/15/05/1131581505.db2.gz KVZINIQSSFMALZ-UHFFFAOYSA-N 1 2 328.218 3.874 20 30 EHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ncccc3Cl)CC2)cc1 ZINC000741461985 1131604622 /nfs/dbraw/zinc/60/46/22/1131604622.db2.gz VSXVBJPTIBJPDF-UHFFFAOYSA-N 1 2 343.862 3.869 20 30 EHEDLO Cc1cccc(C2(O)CC[NH+](Cc3ccc(F)cc3C#N)CC2)c1C ZINC000741812545 1131650220 /nfs/dbraw/zinc/65/02/20/1131650220.db2.gz YDRKDFFKPHDUBP-UHFFFAOYSA-N 1 2 338.426 3.798 20 30 EHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172559183 1131770397 /nfs/dbraw/zinc/77/03/97/1131770397.db2.gz YCUAXYYCPHYHRM-NJYVYQBISA-N 1 2 348.446 3.568 20 30 EHEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172812274 1131849903 /nfs/dbraw/zinc/84/99/03/1131849903.db2.gz USVCNJRVQXVOMX-IYHXRUFHSA-N 1 2 333.476 3.611 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000745455134 1132254143 /nfs/dbraw/zinc/25/41/43/1132254143.db2.gz AHAZPAMOFGAYAH-MRXNPFEDSA-N 1 2 347.434 3.577 20 30 EHEDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000745455134 1132254149 /nfs/dbraw/zinc/25/41/49/1132254149.db2.gz AHAZPAMOFGAYAH-MRXNPFEDSA-N 1 2 347.434 3.577 20 30 EHEDLO C[C@H]1C[C@@H]([N@H+](CCC#N)Cc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001168842897 1132578075 /nfs/dbraw/zinc/57/80/75/1132578075.db2.gz BCMUWVMGLQGYKD-FUHWJXTLSA-N 1 2 343.471 3.800 20 30 EHEDLO C[C@H]1C[C@@H]([N@@H+](CCC#N)Cc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001168842897 1132578078 /nfs/dbraw/zinc/57/80/78/1132578078.db2.gz BCMUWVMGLQGYKD-FUHWJXTLSA-N 1 2 343.471 3.800 20 30 EHEDLO C[C@@H]1C[C@H]([N@H+](CCC#N)Cc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001168842896 1132578638 /nfs/dbraw/zinc/57/86/38/1132578638.db2.gz BCMUWVMGLQGYKD-AEFFLSMTSA-N 1 2 343.471 3.800 20 30 EHEDLO C[C@@H]1C[C@H]([N@@H+](CCC#N)Cc2ccccc2)CN1C(=O)OC(C)(C)C ZINC001168842896 1132578644 /nfs/dbraw/zinc/57/86/44/1132578644.db2.gz BCMUWVMGLQGYKD-AEFFLSMTSA-N 1 2 343.471 3.800 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CCCCC4)CCO2)c1 ZINC001168902091 1132588893 /nfs/dbraw/zinc/58/88/93/1132588893.db2.gz FTAWVPHDJBSINZ-PMACEKPBSA-N 1 2 340.467 3.671 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CCCCC4)CCO2)c1 ZINC001168902091 1132588899 /nfs/dbraw/zinc/58/88/99/1132588899.db2.gz FTAWVPHDJBSINZ-PMACEKPBSA-N 1 2 340.467 3.671 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3CC4(CO3)CCCCC4)CCO2)c1 ZINC001168902092 1132589313 /nfs/dbraw/zinc/58/93/13/1132589313.db2.gz FTAWVPHDJBSINZ-UXHICEINSA-N 1 2 340.467 3.671 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CCCCC4)CCO2)c1 ZINC001168902092 1132589320 /nfs/dbraw/zinc/58/93/20/1132589320.db2.gz FTAWVPHDJBSINZ-UXHICEINSA-N 1 2 340.467 3.671 20 30 EHEDLO C[C@@](C#N)(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccccc1Cl ZINC001169379823 1132738224 /nfs/dbraw/zinc/73/82/24/1132738224.db2.gz SPSAGYBVMWGXTH-SFHVURJKSA-N 1 2 337.814 3.831 20 30 EHEDLO COc1cc[nH+]cc1Nc1c(C#N)cnn1-c1ccc(Cl)cc1 ZINC001176119695 1132852210 /nfs/dbraw/zinc/85/22/10/1132852210.db2.gz ZXYLYXPOHDMDMQ-UHFFFAOYSA-N 1 2 325.759 3.545 20 30 EHEDLO Cc1ccc2oc(=O)n(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)c2c1 ZINC000767987476 1133079504 /nfs/dbraw/zinc/07/95/04/1133079504.db2.gz ZLEVRHPTZRDMOT-UHFFFAOYSA-N 1 2 345.402 3.521 20 30 EHEDLO Cc1ccc2oc(=O)n(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)c2c1 ZINC000767987476 1133079508 /nfs/dbraw/zinc/07/95/08/1133079508.db2.gz ZLEVRHPTZRDMOT-UHFFFAOYSA-N 1 2 345.402 3.521 20 30 EHEDLO C[C@H](C(=O)N(C1=CC(=O)CCC1)[C@H](C)c1ccccc1)n1cc[nH+]c1 ZINC001177925754 1133113689 /nfs/dbraw/zinc/11/36/89/1133113689.db2.gz QSKQVVWOOBJTCE-HZPDHXFCSA-N 1 2 337.423 3.671 20 30 EHEDLO N#C[C@@H](COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000768803079 1133178601 /nfs/dbraw/zinc/17/86/01/1133178601.db2.gz AYZRTHJWIILPBK-LEWJYISDSA-N 1 2 348.446 3.577 20 30 EHEDLO N#C[C@@H](COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000768803079 1133178604 /nfs/dbraw/zinc/17/86/04/1133178604.db2.gz AYZRTHJWIILPBK-LEWJYISDSA-N 1 2 348.446 3.577 20 30 EHEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C#N)cc2Cl)c1C ZINC000768995141 1133218386 /nfs/dbraw/zinc/21/83/86/1133218386.db2.gz GFDZDNAPWNIXRS-UHFFFAOYSA-N 1 2 344.802 3.554 20 30 EHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)cc1Cl ZINC000768995302 1133218447 /nfs/dbraw/zinc/21/84/47/1133218447.db2.gz JHQLMZBGRDZLNU-OAHLLOKOSA-N 1 2 345.834 3.645 20 30 EHEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)c(Cl)c1 ZINC000769922270 1133360046 /nfs/dbraw/zinc/36/00/46/1133360046.db2.gz ZUBRYLOFOCOSKM-LBPRGKRZSA-N 1 2 344.673 3.527 20 30 EHEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770393518 1133422122 /nfs/dbraw/zinc/42/21/22/1133422122.db2.gz YUGIZZCBKYBBFA-OAQYLSRUSA-N 1 2 334.419 3.697 20 30 EHEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770393518 1133422124 /nfs/dbraw/zinc/42/21/24/1133422124.db2.gz YUGIZZCBKYBBFA-OAQYLSRUSA-N 1 2 334.419 3.697 20 30 EHEDLO C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC001183019408 1133760942 /nfs/dbraw/zinc/76/09/42/1133760942.db2.gz ZAVDAYPKZIEHKE-QRWLVFNGSA-N 1 2 334.423 3.524 20 30 EHEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(F)c(F)c3)sc2C1 ZINC001185057051 1134019374 /nfs/dbraw/zinc/01/93/74/1134019374.db2.gz KORXYZVWISZIQF-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(F)c(F)c3)sc2C1 ZINC001185057051 1134019378 /nfs/dbraw/zinc/01/93/78/1134019378.db2.gz KORXYZVWISZIQF-UHFFFAOYSA-N 1 2 348.378 3.530 20 30 EHEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788241440 1134099188 /nfs/dbraw/zinc/09/91/88/1134099188.db2.gz GTXDHBQBDHCGFD-KRWDZBQOSA-N 1 2 348.450 3.616 20 30 EHEDLO N#Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788241440 1134099193 /nfs/dbraw/zinc/09/91/93/1134099193.db2.gz GTXDHBQBDHCGFD-KRWDZBQOSA-N 1 2 348.450 3.616 20 30 EHEDLO C#CCCCCCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788843956 1134181458 /nfs/dbraw/zinc/18/14/58/1134181458.db2.gz XTHUTWZDBNYPEE-UHFFFAOYSA-N 1 2 327.472 3.509 20 30 EHEDLO C=CCc1c(F)c(F)c(C(=O)Nc2ccn3cc[nH+]c3c2)c(F)c1F ZINC001186713702 1134247643 /nfs/dbraw/zinc/24/76/43/1134247643.db2.gz RTVWEWXSLPRLAY-UHFFFAOYSA-N 1 2 349.287 3.872 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(N(CC)CC)c(F)c2)n1 ZINC000789758354 1134328470 /nfs/dbraw/zinc/32/84/70/1134328470.db2.gz KBKNLJQFCJBHME-UHFFFAOYSA-N 1 2 342.462 3.524 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(N(CC)CC)c(F)c2)n1 ZINC000789758354 1134328476 /nfs/dbraw/zinc/32/84/76/1134328476.db2.gz KBKNLJQFCJBHME-UHFFFAOYSA-N 1 2 342.462 3.524 20 30 EHEDLO C=C(C)c1cccc(C(C)(C)NC(=O)N(CC)CCn2cc[nH+]c2)c1 ZINC001189269298 1134565429 /nfs/dbraw/zinc/56/54/29/1134565429.db2.gz WSYCUDMFNRCNDS-UHFFFAOYSA-N 1 2 340.471 3.883 20 30 EHEDLO C=C(C)C[N@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccccc1 ZINC000791568948 1134568968 /nfs/dbraw/zinc/56/89/68/1134568968.db2.gz QPCJFAQDXLQATE-UHFFFAOYSA-N 1 2 343.492 3.680 20 30 EHEDLO C=C(C)C[N@@H+](CCS(=O)(=O)Cc1ccccc1)Cc1ccccc1 ZINC000791568948 1134568972 /nfs/dbraw/zinc/56/89/72/1134568972.db2.gz QPCJFAQDXLQATE-UHFFFAOYSA-N 1 2 343.492 3.680 20 30 EHEDLO C=CCCCNc1c2[nH+]c(C)cn2ccc1I ZINC001170299562 1134738158 /nfs/dbraw/zinc/73/81/58/1134738158.db2.gz FJHNIYCNUSCXBG-UHFFFAOYSA-N 1 2 341.196 3.625 20 30 EHEDLO CC[N@H+](Cc1cn(Cc2ccccc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000775576888 1135103799 /nfs/dbraw/zinc/10/37/99/1135103799.db2.gz GVMRFGSYNHEAPO-QGZVFWFLSA-N 1 2 345.450 3.781 20 30 EHEDLO CC[N@@H+](Cc1cn(Cc2ccccc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000775576888 1135103803 /nfs/dbraw/zinc/10/38/03/1135103803.db2.gz GVMRFGSYNHEAPO-QGZVFWFLSA-N 1 2 345.450 3.781 20 30 EHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cc(F)ccc1[N+](=O)[O-] ZINC000806560083 1135459294 /nfs/dbraw/zinc/45/92/94/1135459294.db2.gz JECPSQMDKRERNA-DUXPYHPUSA-N 1 2 343.339 3.877 20 30 EHEDLO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000775785992 1135738374 /nfs/dbraw/zinc/73/83/74/1135738374.db2.gz RBQJVGLVNGQTIF-UMVBOHGHSA-N 1 2 327.453 3.593 20 30 EHEDLO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000775785992 1135738378 /nfs/dbraw/zinc/73/83/78/1135738378.db2.gz RBQJVGLVNGQTIF-UMVBOHGHSA-N 1 2 327.453 3.593 20 30 EHEDLO CCOc1ccc(CC[N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC001198524919 1135828251 /nfs/dbraw/zinc/82/82/51/1135828251.db2.gz HOVRBKFFMQVKIO-UHFFFAOYSA-N 1 2 339.395 3.540 20 30 EHEDLO CCOc1ccc(CC[N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])cc1 ZINC001198524919 1135828256 /nfs/dbraw/zinc/82/82/56/1135828256.db2.gz HOVRBKFFMQVKIO-UHFFFAOYSA-N 1 2 339.395 3.540 20 30 EHEDLO CCc1ccc(N2CC[NH+](Cc3ccc(C#N)o3)CC2)cc1Cl ZINC000809690317 1135866757 /nfs/dbraw/zinc/86/67/57/1135866757.db2.gz NBETWSQIOXTLMQ-UHFFFAOYSA-N 1 2 329.831 3.689 20 30 EHEDLO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)n1 ZINC000810158014 1135932497 /nfs/dbraw/zinc/93/24/97/1135932497.db2.gz XUTCLROPGQNZOC-RBUKOAKNSA-N 1 2 335.432 3.579 20 30 EHEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3ccccc3Cl)sc2C1 ZINC001202053001 1136086658 /nfs/dbraw/zinc/08/66/58/1136086658.db2.gz AMQHHIQPGVNJAG-UHFFFAOYSA-N 1 2 346.843 3.905 20 30 EHEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3ccccc3Cl)sc2C1 ZINC001202053001 1136086659 /nfs/dbraw/zinc/08/66/59/1136086659.db2.gz AMQHHIQPGVNJAG-UHFFFAOYSA-N 1 2 346.843 3.905 20 30 EHEDLO N#CCOc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1 ZINC001212607168 1136266988 /nfs/dbraw/zinc/26/69/88/1136266988.db2.gz PKALLJVJCYTDAF-UHFFFAOYSA-N 1 2 343.184 3.743 20 30 EHEDLO C=C(Br)C[N@H+](C)CCc1cccc(Br)c1 ZINC000812907652 1136267437 /nfs/dbraw/zinc/26/74/37/1136267437.db2.gz RAQYLSIEXDNSIA-UHFFFAOYSA-N 1 2 333.067 3.832 20 30 EHEDLO C=C(Br)C[N@@H+](C)CCc1cccc(Br)c1 ZINC000812907652 1136267438 /nfs/dbraw/zinc/26/74/38/1136267438.db2.gz RAQYLSIEXDNSIA-UHFFFAOYSA-N 1 2 333.067 3.832 20 30 EHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc(-c3ccoc3C)n(C)c2=S)C1 ZINC000853537153 1136542286 /nfs/dbraw/zinc/54/22/86/1136542286.db2.gz QBMJOWNMPVHFGQ-CQSZACIVSA-N 1 2 332.473 3.765 20 30 EHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc(-c3ccoc3C)n(C)c2=S)C1 ZINC000853537153 1136542289 /nfs/dbraw/zinc/54/22/89/1136542289.db2.gz QBMJOWNMPVHFGQ-CQSZACIVSA-N 1 2 332.473 3.765 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C)n(-c2ccccc2)c1=S ZINC000853599800 1136548275 /nfs/dbraw/zinc/54/82/75/1136548275.db2.gz VQFUDYJLXIIDSN-CALCHBBNSA-N 1 2 326.469 3.852 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C)n(-c2ccccc2)c1=S ZINC000853599800 1136548277 /nfs/dbraw/zinc/54/82/77/1136548277.db2.gz VQFUDYJLXIIDSN-CALCHBBNSA-N 1 2 326.469 3.852 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000853599476 1136548383 /nfs/dbraw/zinc/54/83/83/1136548383.db2.gz QFUPYAZRDFLNAB-IYBDPMFKSA-N 1 2 344.459 3.898 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccc(F)cc2)n(C)c1=S ZINC000853599476 1136548386 /nfs/dbraw/zinc/54/83/86/1136548386.db2.gz QFUPYAZRDFLNAB-IYBDPMFKSA-N 1 2 344.459 3.898 20 30 EHEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)C(C)(C)C ZINC001135336002 1136665948 /nfs/dbraw/zinc/66/59/48/1136665948.db2.gz NDBIQDZLGHZBGO-IRXDYDNUSA-N 1 2 341.499 3.521 20 30 EHEDLO CCCCCCCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000823607622 1137106550 /nfs/dbraw/zinc/10/65/50/1137106550.db2.gz CWLLXUSHGJWGOV-UHFFFAOYSA-N 1 2 332.488 3.570 20 30 EHEDLO N#CCC1CC[NH+](Cc2cc(Br)c(F)cc2F)CC1 ZINC001136853688 1137131828 /nfs/dbraw/zinc/13/18/28/1137131828.db2.gz BVZUAGXTWRJMCU-UHFFFAOYSA-N 1 2 329.188 3.853 20 30 EHEDLO Cc1c(C(=O)/C=C/c2c[nH+]c3ccccn23)cnn1-c1ccc(F)cc1 ZINC000119134775 1137162092 /nfs/dbraw/zinc/16/20/92/1137162092.db2.gz LJAYWHNLLYINFS-MDZDMXLPSA-N 1 2 346.365 3.864 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(Br)cn1 ZINC000794507013 1137179858 /nfs/dbraw/zinc/17/98/58/1137179858.db2.gz CNVRYQQIKWJXMQ-UHFFFAOYSA-N 1 2 341.212 3.650 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1C#N ZINC001143731520 1137194711 /nfs/dbraw/zinc/19/47/11/1137194711.db2.gz WRPLLCLMSGMISH-AWEZNQCLSA-N 1 2 334.847 3.908 20 30 EHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1c(Cl)cccc1C#N ZINC001143731520 1137194712 /nfs/dbraw/zinc/19/47/12/1137194712.db2.gz WRPLLCLMSGMISH-AWEZNQCLSA-N 1 2 334.847 3.908 20 30 EHEDLO C#Cc1ccc([C@H](OC(=O)C[C@@H](C)n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000844561276 1137235195 /nfs/dbraw/zinc/23/51/95/1137235195.db2.gz TWPUKICFUJEVHM-WBMJQRKESA-N 1 2 336.313 3.662 20 30 EHEDLO Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)CCO2 ZINC000794699376 1137236743 /nfs/dbraw/zinc/23/67/43/1137236743.db2.gz BVWFJXUDMFJHLD-ZROIWOOFSA-N 1 2 342.464 3.870 20 30 EHEDLO CC[C@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000865291234 1137274687 /nfs/dbraw/zinc/27/46/87/1137274687.db2.gz UTVXBAQCUAMOMM-KBPBESRZSA-N 1 2 327.453 3.737 20 30 EHEDLO CC[C@H]1CCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000865291234 1137274689 /nfs/dbraw/zinc/27/46/89/1137274689.db2.gz UTVXBAQCUAMOMM-KBPBESRZSA-N 1 2 327.453 3.737 20 30 EHEDLO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cccc(C#N)c1O ZINC000866211071 1137335570 /nfs/dbraw/zinc/33/55/70/1137335570.db2.gz ALBKPTKDXGMDFI-PBHICJAKSA-N 1 2 341.480 3.813 20 30 EHEDLO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)c1ccco1 ZINC000866249139 1137339259 /nfs/dbraw/zinc/33/92/59/1137339259.db2.gz IDKVZWWJMPJZAU-PBHICJAKSA-N 1 2 327.428 3.591 20 30 EHEDLO CCN(CC)c1ccc(NCc2ccc(N(C)CCC#N)cc2)c[nH+]1 ZINC000772938064 1137354416 /nfs/dbraw/zinc/35/44/16/1137354416.db2.gz DXTDNVLNZLUSHG-UHFFFAOYSA-N 1 2 337.471 3.890 20 30 EHEDLO CC(C)[C@@](C)(C#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172081991 1137531776 /nfs/dbraw/zinc/53/17/76/1137531776.db2.gz FBBGMLNIXNWMCJ-OAFZBRQQSA-N 1 2 335.492 3.835 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000877400369 1137675375 /nfs/dbraw/zinc/67/53/75/1137675375.db2.gz UGMCMXJNVLDUTM-LBPRGKRZSA-N 1 2 333.769 3.874 20 30 EHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000877400369 1137675376 /nfs/dbraw/zinc/67/53/76/1137675376.db2.gz UGMCMXJNVLDUTM-LBPRGKRZSA-N 1 2 333.769 3.874 20 30 EHEDLO COC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(Cl)cc1 ZINC000877483037 1137677815 /nfs/dbraw/zinc/67/78/15/1137677815.db2.gz KFGWPXDZFZXSPI-HNNXBMFYSA-N 1 2 336.222 3.737 20 30 EHEDLO Cc1ccc(C[N@@H+](Cc2cc(C#N)cnc2Cl)CC2CC2)cn1 ZINC000877605669 1137682671 /nfs/dbraw/zinc/68/26/71/1137682671.db2.gz VMYXHJSLCAOCJR-UHFFFAOYSA-N 1 2 326.831 3.722 20 30 EHEDLO Cc1ccc(C[N@H+](Cc2cc(C#N)cnc2Cl)CC2CC2)cn1 ZINC000877605669 1137682672 /nfs/dbraw/zinc/68/26/72/1137682672.db2.gz VMYXHJSLCAOCJR-UHFFFAOYSA-N 1 2 326.831 3.722 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000626130419 1137775513 /nfs/dbraw/zinc/77/55/13/1137775513.db2.gz SFFUFFWRUSVWFS-UHFFFAOYSA-N 1 2 347.462 3.598 20 30 EHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000626130419 1137775514 /nfs/dbraw/zinc/77/55/14/1137775514.db2.gz SFFUFFWRUSVWFS-UHFFFAOYSA-N 1 2 347.462 3.598 20 30 EHEDLO N#Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1C1CC1 ZINC000881124010 1137800696 /nfs/dbraw/zinc/80/06/96/1137800696.db2.gz AJILZHIYABPXER-KRWDZBQOSA-N 1 2 335.411 3.501 20 30 EHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000881126024 1137800737 /nfs/dbraw/zinc/80/07/37/1137800737.db2.gz YQUUVGNQKGNZKD-LIRRHRJNSA-N 1 2 349.438 3.747 20 30 EHEDLO C=CCC1(O)CC[NH+](Cn2c(=S)snc2-c2ccccc2)CC1 ZINC000884478976 1137960849 /nfs/dbraw/zinc/96/08/49/1137960849.db2.gz RMNBIUFXUARIJU-UHFFFAOYSA-N 1 2 347.509 3.702 20 30 EHEDLO CSc1ccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1C#N ZINC000886690317 1138116047 /nfs/dbraw/zinc/11/60/47/1138116047.db2.gz UFZDKXGSXHVCEH-KRWDZBQOSA-N 1 2 341.484 3.809 20 30 EHEDLO C=CCN1CC[C@H]([N@@H+](Cc2ccccc2)Cc2ccccc2F)C1=O ZINC000337122856 1138471562 /nfs/dbraw/zinc/47/15/62/1138471562.db2.gz BUEFODBZCZPCOI-FQEVSTJZSA-N 1 2 338.426 3.615 20 30 EHEDLO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)Cc2ccccc2F)C1=O ZINC000337122856 1138471564 /nfs/dbraw/zinc/47/15/64/1138471564.db2.gz BUEFODBZCZPCOI-FQEVSTJZSA-N 1 2 338.426 3.615 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000134136965 1138674712 /nfs/dbraw/zinc/67/47/12/1138674712.db2.gz DLUZAUYIPPWEIK-WBMJQRKESA-N 1 2 334.345 3.861 20 30 EHEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)cs1 ZINC000177591561 1139628037 /nfs/dbraw/zinc/62/80/37/1139628037.db2.gz JQDFTSMTTPCWTP-JTQLQIEISA-N 1 2 339.848 3.535 20 30 EHEDLO C=CCC[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000188801216 1140309327 /nfs/dbraw/zinc/30/93/27/1140309327.db2.gz AFLSJDFIQOYXDN-MOPGFXCFSA-N 1 2 335.451 3.527 20 30 EHEDLO C[C@@H](C#N)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000271118006 1141309347 /nfs/dbraw/zinc/30/93/47/1141309347.db2.gz GBWHUMLFCFRTQU-INIZCTEOSA-N 1 2 331.423 3.526 20 30 EHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000271118006 1141309353 /nfs/dbraw/zinc/30/93/53/1141309353.db2.gz GBWHUMLFCFRTQU-INIZCTEOSA-N 1 2 331.423 3.526 20 30 EHEDLO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)ccc1C ZINC000271676417 1141417044 /nfs/dbraw/zinc/41/70/44/1141417044.db2.gz OREQHCJKSWZTEB-AWEZNQCLSA-N 1 2 348.406 3.776 20 30 EHEDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000175264629 1014233057 /nfs/dbraw/zinc/23/30/57/1014233057.db2.gz IFIKXBBOLGDRHF-GHMZBOCLSA-N 1 2 348.859 3.654 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000728194558 1014939960 /nfs/dbraw/zinc/93/99/60/1014939960.db2.gz AUAGCFMNOYCVCC-FQEVSTJZSA-N 1 2 334.463 3.957 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000728194558 1014939971 /nfs/dbraw/zinc/93/99/71/1014939971.db2.gz AUAGCFMNOYCVCC-FQEVSTJZSA-N 1 2 334.463 3.957 20 30 EHEDLO Cc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000154606403 1015631317 /nfs/dbraw/zinc/63/13/17/1015631317.db2.gz QRHCRWYPHYYFNH-KRWDZBQOSA-N 1 2 348.450 3.777 20 30 EHEDLO C#C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC001625821765 1015681645 /nfs/dbraw/zinc/68/16/45/1015681645.db2.gz TWSHLDHNRJZGOD-SJORKVTESA-N 1 2 329.831 3.614 20 30 EHEDLO C=CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccccc1 ZINC000584319319 1032126463 /nfs/dbraw/zinc/12/64/63/1032126463.db2.gz XCLVSWULSAPYRJ-UHFFFAOYSA-N 1 2 341.361 3.842 20 30 EHEDLO C=CC[N@@H+](CCCOc1cccc2ccccc21)CC(=O)OCC ZINC001167248293 1016759862 /nfs/dbraw/zinc/75/98/62/1016759862.db2.gz MAFRZGGWCWKORF-UHFFFAOYSA-N 1 2 327.424 3.660 20 30 EHEDLO C=CC[N@H+](CCCOc1cccc2ccccc21)CC(=O)OCC ZINC001167248293 1016759867 /nfs/dbraw/zinc/75/98/67/1016759867.db2.gz MAFRZGGWCWKORF-UHFFFAOYSA-N 1 2 327.424 3.660 20 30 EHEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](c3ccccn3)C3CCC3)o2)c1 ZINC000528655139 1032539913 /nfs/dbraw/zinc/53/99/13/1032539913.db2.gz DEDSGJLIBXUJQX-LJQANCHMSA-N 1 2 345.406 3.634 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000377253157 1017528281 /nfs/dbraw/zinc/52/82/81/1017528281.db2.gz SSUKHCWWKAAWNX-FQEVSTJZSA-N 1 2 344.418 3.522 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)c1 ZINC000377253157 1017528287 /nfs/dbraw/zinc/52/82/87/1017528287.db2.gz SSUKHCWWKAAWNX-FQEVSTJZSA-N 1 2 344.418 3.522 20 30 EHEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC000134997305 1018004647 /nfs/dbraw/zinc/00/46/47/1018004647.db2.gz GUDSSXBXZNLQEW-LJQANCHMSA-N 1 2 342.826 3.794 20 30 EHEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC000134997305 1018004660 /nfs/dbraw/zinc/00/46/60/1018004660.db2.gz GUDSSXBXZNLQEW-LJQANCHMSA-N 1 2 342.826 3.794 20 30 EHEDLO O=C(N[C@@H]1CCSc2ccccc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328696826 1018503980 /nfs/dbraw/zinc/50/39/80/1018503980.db2.gz LBKBKWVJFRKUOQ-OAHLLOKOSA-N 1 2 342.468 3.740 20 30 EHEDLO COC(=O)c1ccc(Cl)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000181869472 1018526105 /nfs/dbraw/zinc/52/61/05/1018526105.db2.gz UOOAYMUTQQNMAZ-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO COC(=O)c1ccc(Cl)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000181869472 1018526115 /nfs/dbraw/zinc/52/61/15/1018526115.db2.gz UOOAYMUTQQNMAZ-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO COc1cccc2c(N(C)CCOCc3ccc(C#N)cc3)cc[nH+]c12 ZINC000579636412 1019368422 /nfs/dbraw/zinc/36/84/22/1019368422.db2.gz JXYHXKCPVSTNGX-UHFFFAOYSA-N 1 2 347.418 3.768 20 30 EHEDLO Cc1cc2c(s1)N(c1nccnc1CC#N)c1ccccc1NC2=[NH2+] ZINC001167456332 1020758172 /nfs/dbraw/zinc/75/81/72/1020758172.db2.gz CVPMMVBRQRFBLA-UHFFFAOYSA-N 1 2 346.419 3.733 20 30 EHEDLO COc1ccccc1N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426381133 1021438576 /nfs/dbraw/zinc/43/85/76/1021438576.db2.gz MXBLHQZPWMGMPY-UHFFFAOYSA-N 1 2 340.854 3.522 20 30 EHEDLO CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1csc(C#N)c1 ZINC000891487342 1021743322 /nfs/dbraw/zinc/74/33/22/1021743322.db2.gz TXGRBVTYZMMHJU-UHFFFAOYSA-N 1 2 331.416 3.608 20 30 EHEDLO CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1csc(C#N)c1 ZINC000891487342 1021743336 /nfs/dbraw/zinc/74/33/36/1021743336.db2.gz TXGRBVTYZMMHJU-UHFFFAOYSA-N 1 2 331.416 3.608 20 30 EHEDLO CCOc1cc(C[NH2+]Cc2nc(C#N)cs2)ccc1OCC(C)C ZINC000897632811 1033030593 /nfs/dbraw/zinc/03/05/93/1033030593.db2.gz QKKRNWSNXGVMFS-UHFFFAOYSA-N 1 2 345.468 3.738 20 30 EHEDLO Cc1cc(F)c(C#N)c(NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000894975827 1022323913 /nfs/dbraw/zinc/32/39/13/1022323913.db2.gz RYBVOBBSRVKCBY-UHFFFAOYSA-N 1 2 342.443 3.566 20 30 EHEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328664175 1022458700 /nfs/dbraw/zinc/45/87/00/1022458700.db2.gz BJOFCMVFASPMMQ-BSDSXHPESA-N 1 2 342.487 3.523 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000330508379 1022593559 /nfs/dbraw/zinc/59/35/59/1022593559.db2.gz OKGJZFAQGCMQIY-FUHWJXTLSA-N 1 2 333.863 3.531 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000330508379 1022593563 /nfs/dbraw/zinc/59/35/63/1022593563.db2.gz OKGJZFAQGCMQIY-FUHWJXTLSA-N 1 2 333.863 3.531 20 30 EHEDLO N#Cc1csc(C[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)n1 ZINC000449686714 1033067152 /nfs/dbraw/zinc/06/71/52/1033067152.db2.gz ZPIYWXLXKKDHBZ-UHFFFAOYSA-N 1 2 333.407 3.748 20 30 EHEDLO CC(C)(C)C[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)C(F)(F)F ZINC000330723631 1022661618 /nfs/dbraw/zinc/66/16/18/1022661618.db2.gz ILYJGAPBVUEKIK-GFCCVEGCSA-N 1 2 346.397 3.590 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)Nc1cccc(Cl)c1Cl ZINC000330868286 1022690646 /nfs/dbraw/zinc/69/06/46/1022690646.db2.gz YOFKIBQPUVHKSR-HOSYDEDBSA-N 1 2 326.227 3.602 20 30 EHEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000438602631 1022853356 /nfs/dbraw/zinc/85/33/56/1022853356.db2.gz RHUAZWHYHYGHSW-UHFFFAOYSA-N 1 2 339.357 3.582 20 30 EHEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000438602631 1022853375 /nfs/dbraw/zinc/85/33/75/1022853375.db2.gz RHUAZWHYHYGHSW-UHFFFAOYSA-N 1 2 339.357 3.582 20 30 EHEDLO CC(C)(C#N)c1ccc(CNc2cc(CSCCO)cc[nH+]2)cc1 ZINC000593945094 1033086701 /nfs/dbraw/zinc/08/67/01/1033086701.db2.gz GIVABXHFRNHYNQ-UHFFFAOYSA-N 1 2 341.480 3.720 20 30 EHEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(Br)c1O ZINC000093101207 1023093647 /nfs/dbraw/zinc/09/36/47/1023093647.db2.gz NZXGBNZGCXRVNE-UHFFFAOYSA-N 1 2 325.250 3.916 20 30 EHEDLO N#CCSc1cccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1 ZINC000431161047 1023359962 /nfs/dbraw/zinc/35/99/62/1023359962.db2.gz WGFBSMWPVNJSRT-UHFFFAOYSA-N 1 2 334.404 3.740 20 30 EHEDLO C=CC[N@H+](Cc1ccc(-c2ccccc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092361336 1023390698 /nfs/dbraw/zinc/39/06/98/1023390698.db2.gz MSICEJNQDOOQTH-INIZCTEOSA-N 1 2 347.505 3.590 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(-c2ccccc2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000092361336 1023390701 /nfs/dbraw/zinc/39/07/01/1023390701.db2.gz MSICEJNQDOOQTH-INIZCTEOSA-N 1 2 347.505 3.590 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(c3ccccc3)C2)c(C#N)c1C ZINC000341975660 1023729615 /nfs/dbraw/zinc/72/96/15/1023729615.db2.gz JOVMUPUVRNEMFY-OAHLLOKOSA-N 1 2 349.434 3.884 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC=C(c3ccccc3)C2)c(C#N)c1C ZINC000341975660 1023729621 /nfs/dbraw/zinc/72/96/21/1023729621.db2.gz JOVMUPUVRNEMFY-OAHLLOKOSA-N 1 2 349.434 3.884 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(Br)cn1 ZINC000341979124 1023739705 /nfs/dbraw/zinc/73/97/05/1023739705.db2.gz DEYATFZFCRLOPA-UHFFFAOYSA-N 1 2 347.216 3.534 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1OC ZINC000063297736 1033169924 /nfs/dbraw/zinc/16/99/24/1033169924.db2.gz FQPPWUWBDDJQOS-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1OC ZINC000063297736 1033169935 /nfs/dbraw/zinc/16/99/35/1033169935.db2.gz FQPPWUWBDDJQOS-UHFFFAOYSA-N 1 2 330.359 3.931 20 30 EHEDLO N#Cc1cc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccn1 ZINC000610991310 1023962403 /nfs/dbraw/zinc/96/24/03/1023962403.db2.gz FEWDODWMSKDPMF-GHMZBOCLSA-N 1 2 337.267 3.516 20 30 EHEDLO N#Cc1ccc(F)c(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000025750955 1023987106 /nfs/dbraw/zinc/98/71/06/1023987106.db2.gz NPSMVUIFSIUIDV-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO N#Cc1cc(C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)ccn1 ZINC000610995079 1024007643 /nfs/dbraw/zinc/00/76/43/1024007643.db2.gz AFCSPWNRXFPATQ-IBGZPJMESA-N 1 2 334.810 3.881 20 30 EHEDLO CC1(C)C[C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C(C)(C)O1 ZINC000330254455 1024372750 /nfs/dbraw/zinc/37/27/50/1024372750.db2.gz AWHNOBRQVXRVKR-QGZVFWFLSA-N 1 2 341.455 3.777 20 30 EHEDLO Cc1nsc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000342208010 1024396227 /nfs/dbraw/zinc/39/62/27/1024396227.db2.gz PQZVYAZMNMYLAV-LBPRGKRZSA-N 1 2 348.422 3.678 20 30 EHEDLO Cc1nsc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1C#N ZINC000342208010 1024396245 /nfs/dbraw/zinc/39/62/45/1024396245.db2.gz PQZVYAZMNMYLAV-LBPRGKRZSA-N 1 2 348.422 3.678 20 30 EHEDLO C[N@H+](Cc1ccns1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000895453531 1024509145 /nfs/dbraw/zinc/50/91/45/1024509145.db2.gz LYUYTOVPLPKVJD-UHFFFAOYSA-N 1 2 337.452 3.552 20 30 EHEDLO C[N@@H+](Cc1ccns1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000895453531 1024509156 /nfs/dbraw/zinc/50/91/56/1024509156.db2.gz LYUYTOVPLPKVJD-UHFFFAOYSA-N 1 2 337.452 3.552 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1[C@H]1CCCO1 ZINC000514764588 1024737877 /nfs/dbraw/zinc/73/78/77/1024737877.db2.gz UTWZMIZGIUMFBF-HZPDHXFCSA-N 1 2 338.373 3.966 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1[C@H]1CCCO1 ZINC000514764588 1024737887 /nfs/dbraw/zinc/73/78/87/1024737887.db2.gz UTWZMIZGIUMFBF-HZPDHXFCSA-N 1 2 338.373 3.966 20 30 EHEDLO C=CCCCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000472126708 1024973736 /nfs/dbraw/zinc/97/37/36/1024973736.db2.gz TXBUQPQAZABSGS-CQSZACIVSA-N 1 2 336.505 3.853 20 30 EHEDLO C=CCCCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000472126708 1024973741 /nfs/dbraw/zinc/97/37/41/1024973741.db2.gz TXBUQPQAZABSGS-CQSZACIVSA-N 1 2 336.505 3.853 20 30 EHEDLO COCCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000892200989 1025409186 /nfs/dbraw/zinc/40/91/86/1025409186.db2.gz JCSBCXRJDBVZJA-OALUTQOASA-N 1 2 340.423 3.577 20 30 EHEDLO COCCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)o1 ZINC000892200989 1025409191 /nfs/dbraw/zinc/40/91/91/1025409191.db2.gz JCSBCXRJDBVZJA-OALUTQOASA-N 1 2 340.423 3.577 20 30 EHEDLO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000329179201 1025646570 /nfs/dbraw/zinc/64/65/70/1025646570.db2.gz CYRNHXAWHZOTLB-BLLLJJGKSA-N 1 2 345.830 3.969 20 30 EHEDLO Cc1ccnc(C)c1[NH+]=C([O-])N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329234545 1025683413 /nfs/dbraw/zinc/68/34/13/1025683413.db2.gz HXAAUKZMDJSXOA-AWEZNQCLSA-N 1 2 341.459 3.533 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000329430052 1025842348 /nfs/dbraw/zinc/84/23/48/1025842348.db2.gz IBAWCYQSPAMGOI-XJKSGUPXSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000329430052 1025842372 /nfs/dbraw/zinc/84/23/72/1025842372.db2.gz IBAWCYQSPAMGOI-XJKSGUPXSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000329430052 1025842392 /nfs/dbraw/zinc/84/23/92/1025842392.db2.gz IBAWCYQSPAMGOI-XJKSGUPXSA-N 1 2 341.459 3.532 20 30 EHEDLO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000329430052 1025842413 /nfs/dbraw/zinc/84/24/13/1025842413.db2.gz IBAWCYQSPAMGOI-XJKSGUPXSA-N 1 2 341.459 3.532 20 30 EHEDLO C#CCC1(C(=O)N(C)CCCc2[nH+]ccn2CCC)CCCCC1 ZINC000277645202 1026430742 /nfs/dbraw/zinc/43/07/42/1026430742.db2.gz TYXYZZRGEFHQJC-UHFFFAOYSA-N 1 2 329.488 3.658 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C(=O)OC)ccc1F ZINC000511148187 1026491790 /nfs/dbraw/zinc/49/17/90/1026491790.db2.gz XQBWCKMKVWFHKV-UHFFFAOYSA-N 1 2 338.382 3.672 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C(=O)OC)ccc1F ZINC000511148187 1026491797 /nfs/dbraw/zinc/49/17/97/1026491797.db2.gz XQBWCKMKVWFHKV-UHFFFAOYSA-N 1 2 338.382 3.672 20 30 EHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000582554348 1026576592 /nfs/dbraw/zinc/57/65/92/1026576592.db2.gz KDFCDXKZKNCPRB-VIFPVBQESA-N 1 2 334.634 3.867 20 30 EHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)o1 ZINC000531210288 1026690224 /nfs/dbraw/zinc/69/02/24/1026690224.db2.gz WSUFGLKWRUUMOE-QZTJIDSGSA-N 1 2 338.407 3.646 20 30 EHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)o1 ZINC000531210288 1026690226 /nfs/dbraw/zinc/69/02/26/1026690226.db2.gz WSUFGLKWRUUMOE-QZTJIDSGSA-N 1 2 338.407 3.646 20 30 EHEDLO COCC1(C#N)CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000342833962 1027553834 /nfs/dbraw/zinc/55/38/34/1027553834.db2.gz DBMDZQFOJIJBHI-UHFFFAOYSA-N 1 2 330.325 3.597 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000026327330 1027739615 /nfs/dbraw/zinc/73/96/15/1027739615.db2.gz OZEBDRKONIVAPL-UHFFFAOYSA-N 1 2 335.451 3.926 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000026327330 1027739628 /nfs/dbraw/zinc/73/96/28/1027739628.db2.gz OZEBDRKONIVAPL-UHFFFAOYSA-N 1 2 335.451 3.926 20 30 EHEDLO CSc1cc2c(cc1C[N@H+](CCC#N)CCC(C)C)OCCO2 ZINC000353422921 1027857234 /nfs/dbraw/zinc/85/72/34/1027857234.db2.gz QDCZSYYKAVESJH-UHFFFAOYSA-N 1 2 334.485 3.941 20 30 EHEDLO CSc1cc2c(cc1C[N@@H+](CCC#N)CCC(C)C)OCCO2 ZINC000353422921 1027857252 /nfs/dbraw/zinc/85/72/52/1027857252.db2.gz QDCZSYYKAVESJH-UHFFFAOYSA-N 1 2 334.485 3.941 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444798335 1028272572 /nfs/dbraw/zinc/27/25/72/1028272572.db2.gz ZHXOBAVLUZOJJR-PKOBYXMFSA-N 1 2 347.890 3.921 20 30 EHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444798335 1028272593 /nfs/dbraw/zinc/27/25/93/1028272593.db2.gz ZHXOBAVLUZOJJR-PKOBYXMFSA-N 1 2 347.890 3.921 20 30 EHEDLO Cc1cc(C)c(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c[nH+]1 ZINC000455564915 1028482397 /nfs/dbraw/zinc/48/23/97/1028482397.db2.gz VXXQNEYUIKNYPD-UXHICEINSA-N 1 2 348.450 3.680 20 30 EHEDLO CCOc1cc(CNc2[nH+]cccc2OCCCC#N)ccc1OC ZINC000162266170 1028526734 /nfs/dbraw/zinc/52/67/34/1028526734.db2.gz JHWUERZFHGMICB-UHFFFAOYSA-N 1 2 341.411 3.784 20 30 EHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1cccs1 ZINC000076650688 1029023357 /nfs/dbraw/zinc/02/33/57/1029023357.db2.gz QVLYWCKTLWSNJW-CYBMUJFWSA-N 1 2 346.418 3.537 20 30 EHEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1cccs1 ZINC000076650688 1029023367 /nfs/dbraw/zinc/02/33/67/1029023367.db2.gz QVLYWCKTLWSNJW-CYBMUJFWSA-N 1 2 346.418 3.537 20 30 EHEDLO O=C1C=C2C[N@H+](Cc3ccc(C(F)(F)F)c(F)c3)CC[C@@H]2S1 ZINC001204863264 1029149899 /nfs/dbraw/zinc/14/98/99/1029149899.db2.gz UYLHBJJWIKGMBR-ZDUSSCGKSA-N 1 2 331.334 3.619 20 30 EHEDLO O=C1C=C2C[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3)CC[C@@H]2S1 ZINC001204863264 1029149905 /nfs/dbraw/zinc/14/99/05/1029149905.db2.gz UYLHBJJWIKGMBR-ZDUSSCGKSA-N 1 2 331.334 3.619 20 30 EHEDLO C=CCCc1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000505058570 1029163420 /nfs/dbraw/zinc/16/34/20/1029163420.db2.gz XEMNQLDBMJLQBV-UHFFFAOYSA-N 1 2 338.455 3.702 20 30 EHEDLO COc1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1C#N ZINC000533079801 1029284015 /nfs/dbraw/zinc/28/40/15/1029284015.db2.gz MWKICMSRHQBHSN-JOCHJYFZSA-N 1 2 343.430 3.974 20 30 EHEDLO COc1ccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1C#N ZINC000533079801 1029284028 /nfs/dbraw/zinc/28/40/28/1029284028.db2.gz MWKICMSRHQBHSN-JOCHJYFZSA-N 1 2 343.430 3.974 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000533220901 1029484018 /nfs/dbraw/zinc/48/40/18/1029484018.db2.gz BHGSCEDUPZNAQT-GOSISDBHSA-N 1 2 339.826 3.987 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000533220901 1029484030 /nfs/dbraw/zinc/48/40/30/1029484030.db2.gz BHGSCEDUPZNAQT-GOSISDBHSA-N 1 2 339.826 3.987 20 30 EHEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nnc(C)s2)ccc1OC ZINC000273578373 1029826082 /nfs/dbraw/zinc/82/60/82/1029826082.db2.gz HTQLBJNXFABFHO-LBPRGKRZSA-N 1 2 333.457 3.661 20 30 EHEDLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CC1(C#N)CC1)OCCO3 ZINC000343238834 1029860451 /nfs/dbraw/zinc/86/04/51/1029860451.db2.gz OEKGWBDBVAATCK-OAHLLOKOSA-N 1 2 338.451 3.950 20 30 EHEDLO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CC1(C#N)CC1)OCCO3 ZINC000343238834 1029860456 /nfs/dbraw/zinc/86/04/56/1029860456.db2.gz OEKGWBDBVAATCK-OAHLLOKOSA-N 1 2 338.451 3.950 20 30 EHEDLO O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329200291 1029994236 /nfs/dbraw/zinc/99/42/36/1029994236.db2.gz VFFUSKBLGFVMQQ-GVDBMIGSSA-N 1 2 330.476 3.793 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1ncc(Br)cn1)c1ccc(C#N)c(F)c1 ZINC000340425679 1030128972 /nfs/dbraw/zinc/12/89/72/1030128972.db2.gz NGDIDYDZYIZNPC-ZJUUUORDSA-N 1 2 349.207 3.662 20 30 EHEDLO C=CCOc1cccc(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000120973268 1030143342 /nfs/dbraw/zinc/14/33/42/1030143342.db2.gz TWKMWTKGVPZEOW-UHFFFAOYSA-N 1 2 338.451 3.696 20 30 EHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000178940792 1030315446 /nfs/dbraw/zinc/31/54/46/1030315446.db2.gz YGFLSFMYRHAFFF-BQYQJAHWSA-N 1 2 327.181 3.993 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000092975167 1030543069 /nfs/dbraw/zinc/54/30/69/1030543069.db2.gz JRBXCYMUVIOWHE-QRWLVFNGSA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000092975167 1030543090 /nfs/dbraw/zinc/54/30/90/1030543090.db2.gz JRBXCYMUVIOWHE-QRWLVFNGSA-N 1 2 340.398 3.690 20 30 EHEDLO N#CCC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000093091390 1030559988 /nfs/dbraw/zinc/55/99/88/1030559988.db2.gz KNZFBXMAYBCCLF-UHFFFAOYSA-N 1 2 325.368 3.980 20 30 EHEDLO N#CCC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1CC1 ZINC000093091390 1030560000 /nfs/dbraw/zinc/56/00/00/1030560000.db2.gz KNZFBXMAYBCCLF-UHFFFAOYSA-N 1 2 325.368 3.980 20 30 EHEDLO Cc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc(C(F)(F)F)c1 ZINC001143451518 1030638647 /nfs/dbraw/zinc/63/86/47/1030638647.db2.gz QMYVHVYITIPDFE-AWEZNQCLSA-N 1 2 327.371 3.788 20 30 EHEDLO C[C@H](c1nnc(SCCC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000023223602 1031718134 /nfs/dbraw/zinc/71/81/34/1031718134.db2.gz DYEYDKNMTVZIAU-OAHLLOKOSA-N 1 2 341.484 3.820 20 30 EHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cncc(Cl)c3)CC2)c1 ZINC000598589803 1033317774 /nfs/dbraw/zinc/31/77/74/1033317774.db2.gz LLIHSVJTBIBOOB-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO N#CC1(c2ccc(CNc3[nH+]c4ccccc4n3C3CC3)cc2)CC1 ZINC000594734605 1033507953 /nfs/dbraw/zinc/50/79/53/1033507953.db2.gz AGBXVIHTFZREBK-UHFFFAOYSA-N 1 2 328.419 3.960 20 30 EHEDLO N#Cc1ccc(CC[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000595301589 1033735665 /nfs/dbraw/zinc/73/56/65/1033735665.db2.gz GNKXGNWPXILXBI-LJQANCHMSA-N 1 2 326.827 3.828 20 30 EHEDLO N#Cc1ccc(CC[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000595301589 1033735678 /nfs/dbraw/zinc/73/56/78/1033735678.db2.gz GNKXGNWPXILXBI-LJQANCHMSA-N 1 2 326.827 3.828 20 30 EHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(C)c(C#N)c3)n2)c1 ZINC000599371744 1033891018 /nfs/dbraw/zinc/89/10/18/1033891018.db2.gz QGYZUFKYBZBKPL-CQSZACIVSA-N 1 2 348.406 3.776 20 30 EHEDLO N#Cc1ccnc(C[N@@H+](Cc2csc(Br)c2)C2CC2)c1 ZINC001168317846 1034001190 /nfs/dbraw/zinc/00/11/90/1034001190.db2.gz UCJFTRHCXPUKPM-UHFFFAOYSA-N 1 2 348.269 3.942 20 30 EHEDLO N#Cc1ccnc(C[N@H+](Cc2csc(Br)c2)C2CC2)c1 ZINC001168317846 1034001200 /nfs/dbraw/zinc/00/12/00/1034001200.db2.gz UCJFTRHCXPUKPM-UHFFFAOYSA-N 1 2 348.269 3.942 20 30 EHEDLO COc1ccc2nc(C[N@@H+]3CCc4c(CC#N)cccc4C3)sc2c1 ZINC000599677516 1034106392 /nfs/dbraw/zinc/10/63/92/1034106392.db2.gz IBFOPKDSBNCJJL-UHFFFAOYSA-N 1 2 349.459 3.929 20 30 EHEDLO COc1ccc2nc(C[N@H+]3CCc4c(CC#N)cccc4C3)sc2c1 ZINC000599677516 1034106398 /nfs/dbraw/zinc/10/63/98/1034106398.db2.gz IBFOPKDSBNCJJL-UHFFFAOYSA-N 1 2 349.459 3.929 20 30 EHEDLO CCOc1cc2[nH+]ccc(N3CC[C@@](C)(C#N)C3)c2cc1OCC ZINC000596529753 1034277733 /nfs/dbraw/zinc/27/77/33/1034277733.db2.gz HRISGARHMIKVQZ-IBGZPJMESA-N 1 2 325.412 3.772 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000604291665 1034305758 /nfs/dbraw/zinc/30/57/58/1034305758.db2.gz MUYZCXFRHWUIDH-UHFFFAOYSA-N 1 2 337.398 3.548 20 30 EHEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000604291665 1034305771 /nfs/dbraw/zinc/30/57/71/1034305771.db2.gz MUYZCXFRHWUIDH-UHFFFAOYSA-N 1 2 337.398 3.548 20 30 EHEDLO CC1=CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000534480005 1034584665 /nfs/dbraw/zinc/58/46/65/1034584665.db2.gz KODXKKFNLHIABC-AWEZNQCLSA-N 1 2 343.496 3.868 20 30 EHEDLO CC1=CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000534480005 1034584652 /nfs/dbraw/zinc/58/46/52/1034584652.db2.gz KODXKKFNLHIABC-AWEZNQCLSA-N 1 2 343.496 3.868 20 30 EHEDLO C[C@@]1(C#N)CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000597231515 1034614460 /nfs/dbraw/zinc/61/44/60/1034614460.db2.gz YZYAZJTVBJBJMY-NRFANRHFSA-N 1 2 343.434 3.670 20 30 EHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000597231515 1034614474 /nfs/dbraw/zinc/61/44/74/1034614474.db2.gz YZYAZJTVBJBJMY-NRFANRHFSA-N 1 2 343.434 3.670 20 30 EHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCCCC1 ZINC000045008002 1035633319 /nfs/dbraw/zinc/63/33/19/1035633319.db2.gz SWVIQMPRFZLTSO-QGZVFWFLSA-N 1 2 345.874 3.820 20 30 EHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCCCC1 ZINC000045008002 1035633333 /nfs/dbraw/zinc/63/33/33/1035633333.db2.gz SWVIQMPRFZLTSO-QGZVFWFLSA-N 1 2 345.874 3.820 20 30 EHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000187011560 1035739656 /nfs/dbraw/zinc/73/96/56/1035739656.db2.gz RRNVIGQWWCHQOX-OAHLLOKOSA-N 1 2 343.496 3.753 20 30 EHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC2(CC2)C1 ZINC000187011560 1035739666 /nfs/dbraw/zinc/73/96/66/1035739666.db2.gz RRNVIGQWWCHQOX-OAHLLOKOSA-N 1 2 343.496 3.753 20 30 EHEDLO N#Cc1cc(F)ccc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541955435 1036891670 /nfs/dbraw/zinc/89/16/70/1036891670.db2.gz WVZJURRBCWFDIV-INIZCTEOSA-N 1 2 338.304 3.539 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000610726508 1037063587 /nfs/dbraw/zinc/06/35/87/1037063587.db2.gz ZQHNSBWDQDVXJB-KBXCAEBGSA-N 1 2 331.423 3.699 20 30 EHEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)c(C#N)c1C ZINC000271836221 1037434315 /nfs/dbraw/zinc/43/43/15/1037434315.db2.gz XUPPHIZHBKHKJF-WDEREUQCSA-N 1 2 347.365 3.724 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccc(Cl)cc1 ZINC000491758645 1037672686 /nfs/dbraw/zinc/67/26/86/1037672686.db2.gz ITGPERYQTDEXPY-HNNXBMFYSA-N 1 2 335.632 3.962 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(OC(F)F)c1 ZINC000184289938 1038025746 /nfs/dbraw/zinc/02/57/46/1038025746.db2.gz UZZHYNVFBMCYOM-UHFFFAOYSA-N 1 2 333.338 3.978 20 30 EHEDLO C=CC[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000538958048 1038615094 /nfs/dbraw/zinc/61/50/94/1038615094.db2.gz GCRQUAKYBQNCAI-UHFFFAOYSA-N 1 2 334.217 3.650 20 30 EHEDLO C=CC[N@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CC1 ZINC000538958048 1038615097 /nfs/dbraw/zinc/61/50/97/1038615097.db2.gz GCRQUAKYBQNCAI-UHFFFAOYSA-N 1 2 334.217 3.650 20 30 EHEDLO C=CCOCCCC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000339175233 1038663203 /nfs/dbraw/zinc/66/32/03/1038663203.db2.gz VYTVWQUHTATOKM-UHFFFAOYSA-N 1 2 339.439 3.808 20 30 EHEDLO N#Cc1cccc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1F ZINC000512428687 1039101405 /nfs/dbraw/zinc/10/14/05/1039101405.db2.gz XMTZHCVMNUAVFX-UHFFFAOYSA-N 1 2 343.833 3.669 20 30 EHEDLO C=CCC(C)(C)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000432808803 1039313649 /nfs/dbraw/zinc/31/36/49/1039313649.db2.gz UMICMYDVAOKHNJ-MRXNPFEDSA-N 1 2 345.487 3.804 20 30 EHEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)n1 ZINC000911963774 1039614398 /nfs/dbraw/zinc/61/43/98/1039614398.db2.gz OJHOFMSBSNWTGM-WTNGLUPJSA-N 1 2 346.500 3.643 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1F)Cc1ccccc1C(=O)N(C)C ZINC000417736103 1040203698 /nfs/dbraw/zinc/20/36/98/1040203698.db2.gz MGIMLDVKBALESL-UHFFFAOYSA-N 1 2 326.415 3.716 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1F)Cc1ccccc1C(=O)N(C)C ZINC000417736103 1040203712 /nfs/dbraw/zinc/20/37/12/1040203712.db2.gz MGIMLDVKBALESL-UHFFFAOYSA-N 1 2 326.415 3.716 20 30 EHEDLO C[C@H](N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1)C(F)(F)F ZINC000614169570 1040344347 /nfs/dbraw/zinc/34/43/47/1040344347.db2.gz DWOOMJKPZRTNIZ-AWEZNQCLSA-N 1 2 339.405 3.556 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000364285018 1040683968 /nfs/dbraw/zinc/68/39/68/1040683968.db2.gz UIFZFFLHKIQEHD-HUUCEWRRSA-N 1 2 344.352 3.675 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000364285018 1040683972 /nfs/dbraw/zinc/68/39/72/1040683972.db2.gz UIFZFFLHKIQEHD-HUUCEWRRSA-N 1 2 344.352 3.675 20 30 EHEDLO Cn1c[nH+]cc1CNc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000126211183 1040810754 /nfs/dbraw/zinc/81/07/54/1040810754.db2.gz ZKYQNRDGKGQLSR-UHFFFAOYSA-N 1 2 336.370 3.622 20 30 EHEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2sc3ccccc3c2Cl)C1=O ZINC000500017514 1041413827 /nfs/dbraw/zinc/41/38/27/1041413827.db2.gz JNJGEGYRMPHVPZ-CYBMUJFWSA-N 1 2 334.872 3.773 20 30 EHEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2sc3ccccc3c2Cl)C1=O ZINC000500017514 1041413830 /nfs/dbraw/zinc/41/38/30/1041413830.db2.gz JNJGEGYRMPHVPZ-CYBMUJFWSA-N 1 2 334.872 3.773 20 30 EHEDLO N#Cc1ccc(OCCCn2nc(C(F)(F)F)c3c[nH+]ccc32)cc1 ZINC000092917834 1041433419 /nfs/dbraw/zinc/43/34/19/1041433419.db2.gz MEFFUPCZITWXNN-UHFFFAOYSA-N 1 2 346.312 3.791 20 30 EHEDLO N#C[C@H]1CC[C@H](Nc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)CC1 ZINC001167842751 1043184961 /nfs/dbraw/zinc/18/49/61/1043184961.db2.gz QKVNWHBWCYSCIW-JCNLHEQBSA-N 1 2 344.422 3.824 20 30 EHEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cccc(OCCCC#N)c2)cs1 ZINC000344693290 1044290995 /nfs/dbraw/zinc/29/09/95/1044290995.db2.gz ITPWNAHXFRJLIZ-AWEZNQCLSA-N 1 2 345.468 3.823 20 30 EHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)o1 ZINC000076152669 1125553320 /nfs/dbraw/zinc/55/33/20/1125553320.db2.gz WSUFGLKWRUUMOE-ROUUACIJSA-N 1 2 338.407 3.646 20 30 EHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)o1 ZINC000076152669 1125553326 /nfs/dbraw/zinc/55/33/26/1125553326.db2.gz WSUFGLKWRUUMOE-ROUUACIJSA-N 1 2 338.407 3.646 20 30 EHEDLO Cc1ncc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000178918099 1127037441 /nfs/dbraw/zinc/03/74/41/1127037441.db2.gz FNKDRQUKKVCYBG-UHFFFAOYSA-N 1 2 340.370 3.834 20 30 EHEDLO Cc1ncc(C[N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)s1 ZINC000178918099 1127037444 /nfs/dbraw/zinc/03/74/44/1127037444.db2.gz FNKDRQUKKVCYBG-UHFFFAOYSA-N 1 2 340.370 3.834 20 30 EHEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1c(F)cccc1Cl ZINC000181749834 1127293827 /nfs/dbraw/zinc/29/38/27/1127293827.db2.gz CPIMMBLUIJLEDU-SECBINFHSA-N 1 2 337.807 3.702 20 30 EHEDLO C#CCOc1ccc([C@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000764809087 1127537214 /nfs/dbraw/zinc/53/72/14/1127537214.db2.gz GWVHVFCEVJQFAQ-UWJYYQICSA-N 1 2 345.446 3.872 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](CC)CCC)c1=S ZINC000764944150 1127558495 /nfs/dbraw/zinc/55/84/95/1127558495.db2.gz BYNJHLKDGBXYMW-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](CC)CCC)c1=S ZINC000764944150 1127558498 /nfs/dbraw/zinc/55/84/98/1127558498.db2.gz BYNJHLKDGBXYMW-UHFFFAOYSA-N 1 2 331.489 3.742 20 30 EHEDLO CCCCCCN(O)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001649057149 1128058257 /nfs/dbraw/zinc/05/82/57/1128058257.db2.gz QDNDARBMFFYLCR-GOSISDBHSA-N 1 2 336.451 3.978 20 30 EHEDLO CCCCCCN(O)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001649057149 1128058262 /nfs/dbraw/zinc/05/82/62/1128058262.db2.gz QDNDARBMFFYLCR-GOSISDBHSA-N 1 2 336.451 3.978 20 30 EHEDLO C=CCC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000282239293 1128123792 /nfs/dbraw/zinc/12/37/92/1128123792.db2.gz IHKXCSGWMJBODN-MRXNPFEDSA-N 1 2 327.472 3.672 20 30 EHEDLO C=CC(C)(C)CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000624463395 1128367529 /nfs/dbraw/zinc/36/75/29/1128367529.db2.gz HIIQBOVAHKDLSN-INIZCTEOSA-N 1 2 344.503 3.711 20 30 EHEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)c1 ZINC000186286878 1128375523 /nfs/dbraw/zinc/37/55/23/1128375523.db2.gz DXGYDJHLVQNQEP-UHFFFAOYSA-N 1 2 348.450 3.525 20 30 EHEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2c1 ZINC000301644501 1128600993 /nfs/dbraw/zinc/60/09/93/1128600993.db2.gz ORTASNMKJMVAPI-GOSISDBHSA-N 1 2 344.418 3.776 20 30 EHEDLO N#Cc1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000110083025 1128767217 /nfs/dbraw/zinc/76/72/17/1128767217.db2.gz NEALQCWFJNWBTL-UHFFFAOYSA-N 1 2 347.249 3.582 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000265766861 1128815888 /nfs/dbraw/zinc/81/58/88/1128815888.db2.gz LDPJMTXHWHXRFW-UHFFFAOYSA-N 1 2 340.471 3.819 20 30 EHEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC001168686168 1128827343 /nfs/dbraw/zinc/82/73/43/1128827343.db2.gz PXOLTYGCCXYVFB-LLVKDONJSA-N 1 2 347.321 3.919 20 30 EHEDLO C=CC[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000187531580 1120501870 /nfs/dbraw/zinc/50/18/70/1120501870.db2.gz VMXHXMCXWIRMAM-OAQYLSRUSA-N 1 2 345.446 3.908 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)CCO2)c1 ZINC000761759500 1120886452 /nfs/dbraw/zinc/88/64/52/1120886452.db2.gz XXGBXXSABCOMIF-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CCO2)c1 ZINC000761759500 1120886456 /nfs/dbraw/zinc/88/64/56/1120886456.db2.gz XXGBXXSABCOMIF-IBGZPJMESA-N 1 2 342.826 3.664 20 30 EHEDLO CC(C)(C)OC(=O)N1CC(C/[NH+]=C/c2c(O)ccc3ccccc32)C1 ZINC000762436368 1121298146 /nfs/dbraw/zinc/29/81/46/1121298146.db2.gz MVQCJUGLSDZWBW-SRZZPIQSSA-N 1 2 340.423 3.831 20 30 EHEDLO C[C@@H](NC(=O)/C=C\c1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000255130213 1129019833 /nfs/dbraw/zinc/01/98/33/1129019833.db2.gz RSSJFTKNZZFVML-HLRDLLSLSA-N 1 2 342.402 3.635 20 30 EHEDLO Cc1ccc(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)c(C)c1 ZINC000917025804 1122442854 /nfs/dbraw/zinc/44/28/54/1122442854.db2.gz PLEVQDFIMYYLDY-UHFFFAOYSA-N 1 2 349.463 3.810 20 30 EHEDLO Cc1sc2ncnc(N=NCc3ccc(-n4cc[nH+]c4)cc3)c2c1C ZINC000917027002 1122443414 /nfs/dbraw/zinc/44/34/14/1122443414.db2.gz YYAQUJYRUHJLGL-UHFFFAOYSA-N 1 2 348.435 3.940 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)Cn1c(C)c(C)n(CCOC)c1=S ZINC000917427791 1122605505 /nfs/dbraw/zinc/60/55/05/1122605505.db2.gz LPYVEFMKFPZCDP-UHFFFAOYSA-N 1 2 345.512 3.928 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)Cn1c(C)c(C)n(CCOC)c1=S ZINC000917427791 1122605506 /nfs/dbraw/zinc/60/55/06/1122605506.db2.gz LPYVEFMKFPZCDP-UHFFFAOYSA-N 1 2 345.512 3.928 20 30 EHEDLO NC(Cc1ccccc1)=[NH+]OCc1ncc(-c2ccccc2F)o1 ZINC000154505696 1122671513 /nfs/dbraw/zinc/67/15/13/1122671513.db2.gz KFBMCTYYXMMRSL-UHFFFAOYSA-N 1 2 325.343 3.512 20 30 EHEDLO N#Cc1cccc(Oc2ccc(NC(=O)CCCn3cc[nH+]c3)cc2)c1 ZINC000609426811 1123577715 /nfs/dbraw/zinc/57/77/15/1123577715.db2.gz GAUBUDMTRLPLIN-UHFFFAOYSA-N 1 2 346.390 3.966 20 30 EHEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ncc(Br)s1 ZINC000901486518 1124810189 /nfs/dbraw/zinc/81/01/89/1124810189.db2.gz KNSUDYHJXVCOIP-ONEGZZNKSA-N 1 2 326.219 3.579 20 30 EHEDLO CC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125777890 1129714938 /nfs/dbraw/zinc/71/49/38/1129714938.db2.gz FQOCBEQDPCPLIL-HNNXBMFYSA-N 1 2 349.434 3.782 20 30 EHEDLO CC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125777890 1129714939 /nfs/dbraw/zinc/71/49/39/1129714939.db2.gz FQOCBEQDPCPLIL-HNNXBMFYSA-N 1 2 349.434 3.782 20 30 EHEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000245433228 1130205709 /nfs/dbraw/zinc/20/57/09/1130205709.db2.gz PCLXAZFLQXHVDN-BFUOFWGJSA-N 1 2 339.826 3.843 20 30 EHEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000245433228 1130205712 /nfs/dbraw/zinc/20/57/12/1130205712.db2.gz PCLXAZFLQXHVDN-BFUOFWGJSA-N 1 2 339.826 3.843 20 30 EHEDLO COCCOc1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147748 1130679353 /nfs/dbraw/zinc/67/93/53/1130679353.db2.gz RQDXNNNYRNKEHU-UHFFFAOYSA-N 1 2 335.407 3.518 20 30 EHEDLO C=CCOc1ccc(/C=C/C(=O)Nc2ccc3[nH+]ccn3c2)cc1OC ZINC000733872353 1131087189 /nfs/dbraw/zinc/08/71/89/1131087189.db2.gz NYPRZLGUFCEIQO-WEVVVXLNSA-N 1 2 349.390 3.560 20 30 EHEDLO C#CCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000766275406 1131637470 /nfs/dbraw/zinc/63/74/70/1131637470.db2.gz JCHCZPSUCPURNT-UHFFFAOYSA-N 1 2 340.496 3.759 20 30 EHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c(OC)c1 ZINC000737445133 1131641940 /nfs/dbraw/zinc/64/19/40/1131641940.db2.gz YJSIDACFZLZIGD-DAXSKMNVSA-N 1 2 342.782 3.901 20 30 EHEDLO C#CC[N@@H+](CN1C(=O)[C@H](C)[C@H]1c1ccccc1)[C@H]1CCc2ccccc21 ZINC000743353359 1131898867 /nfs/dbraw/zinc/89/88/67/1131898867.db2.gz WPULZLKBPKPHAI-WTNAPCKOSA-N 1 2 344.458 3.786 20 30 EHEDLO C#CC[N@H+](CN1C(=O)[C@H](C)[C@H]1c1ccccc1)[C@H]1CCc2ccccc21 ZINC000743353359 1131898881 /nfs/dbraw/zinc/89/88/81/1131898881.db2.gz WPULZLKBPKPHAI-WTNAPCKOSA-N 1 2 344.458 3.786 20 30 EHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000744151470 1132033142 /nfs/dbraw/zinc/03/31/42/1132033142.db2.gz FDXWAVFTVUQPCI-UHFFFAOYSA-N 1 2 334.464 3.951 20 30 EHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000744151470 1132033149 /nfs/dbraw/zinc/03/31/49/1132033149.db2.gz FDXWAVFTVUQPCI-UHFFFAOYSA-N 1 2 334.464 3.951 20 30 EHEDLO COc1cc(C#N)c(Nc2ccc(N3CCCCC3)[nH+]c2)cc1OC ZINC001174524253 1132401587 /nfs/dbraw/zinc/40/15/87/1132401587.db2.gz KBKJINLUBHSRMX-UHFFFAOYSA-N 1 2 338.411 3.704 20 30 EHEDLO N#Cc1c(Nc2ccc(N3CCOCC3)[nH+]c2)cccc1C(F)(F)F ZINC001174977635 1132511459 /nfs/dbraw/zinc/51/14/59/1132511459.db2.gz LKYDVQNCUOMYJB-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO Cc1nsc(C)c1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001169809678 1132864138 /nfs/dbraw/zinc/86/41/38/1132864138.db2.gz BZSZIJJXNHQAEE-UHFFFAOYSA-N 1 2 346.887 3.607 20 30 EHEDLO Cc1cc(C)nc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC001169809832 1132864547 /nfs/dbraw/zinc/86/45/47/1132864547.db2.gz DSBWYWMYHMQIRD-UHFFFAOYSA-N 1 2 340.858 3.546 20 30 EHEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000767986179 1133079479 /nfs/dbraw/zinc/07/94/79/1133079479.db2.gz GPEQRYKLOVJXGD-OAQYLSRUSA-N 1 2 343.430 3.578 20 30 EHEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000767986179 1133079483 /nfs/dbraw/zinc/07/94/83/1133079483.db2.gz GPEQRYKLOVJXGD-OAQYLSRUSA-N 1 2 343.430 3.578 20 30 EHEDLO C#CC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccc(F)cc1 ZINC000769145138 1133232926 /nfs/dbraw/zinc/23/29/26/1133232926.db2.gz CQHYQFOVXLFUCL-UHFFFAOYSA-N 1 2 327.790 3.762 20 30 EHEDLO C#CC[N@@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccc(F)cc1 ZINC000769145138 1133232933 /nfs/dbraw/zinc/23/29/33/1133232933.db2.gz CQHYQFOVXLFUCL-UHFFFAOYSA-N 1 2 327.790 3.762 20 30 EHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(C4CC4)c3)CC2)cc1 ZINC001180402526 1133365147 /nfs/dbraw/zinc/36/51/47/1133365147.db2.gz FHYNCWFXRNJKND-UHFFFAOYSA-N 1 2 331.463 3.753 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC001181955492 1133555749 /nfs/dbraw/zinc/55/57/49/1133555749.db2.gz DLVXGCVNZSTHJX-SFHVURJKSA-N 1 2 329.827 3.517 20 30 EHEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC001181955492 1133555755 /nfs/dbraw/zinc/55/57/55/1133555755.db2.gz DLVXGCVNZSTHJX-SFHVURJKSA-N 1 2 329.827 3.517 20 30 EHEDLO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C#N)CC(C)C)c1ccccc1Cl ZINC001182222525 1133598998 /nfs/dbraw/zinc/59/89/98/1133598998.db2.gz FKFBXXMVTLRMNF-RHSMWYFYSA-N 1 2 335.879 3.777 20 30 EHEDLO CCOC(=O)Cc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1 ZINC000771860441 1133608506 /nfs/dbraw/zinc/60/85/06/1133608506.db2.gz QSHIVDFOFGUBNN-KTKRTIGZSA-N 1 2 348.402 3.644 20 30 EHEDLO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000772347288 1133677219 /nfs/dbraw/zinc/67/72/19/1133677219.db2.gz QGCJKAKIKQHRDC-MJBXVCDLSA-N 1 2 327.453 3.735 20 30 EHEDLO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000772347288 1133677220 /nfs/dbraw/zinc/67/72/20/1133677220.db2.gz QGCJKAKIKQHRDC-MJBXVCDLSA-N 1 2 327.453 3.735 20 30 EHEDLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183829637 1133862120 /nfs/dbraw/zinc/86/21/20/1133862120.db2.gz PXIFZEQXXSIGJP-QKLQHJQFSA-N 1 2 339.483 3.702 20 30 EHEDLO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183829637 1133862127 /nfs/dbraw/zinc/86/21/27/1133862127.db2.gz PXIFZEQXXSIGJP-QKLQHJQFSA-N 1 2 339.483 3.702 20 30 EHEDLO C[C@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678378 1133996405 /nfs/dbraw/zinc/99/64/05/1133996405.db2.gz RCDFFOBEOXHMEC-CHWSQXEVSA-N 1 2 327.453 3.593 20 30 EHEDLO C[C@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C(C)(C)C1 ZINC000746678378 1133996411 /nfs/dbraw/zinc/99/64/11/1133996411.db2.gz RCDFFOBEOXHMEC-CHWSQXEVSA-N 1 2 327.453 3.593 20 30 EHEDLO Cc1cc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)ccc1C#N ZINC000774821948 1134032739 /nfs/dbraw/zinc/03/27/39/1134032739.db2.gz JGXXZPXMCSGKTN-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)ccc1C#N ZINC000774821948 1134032747 /nfs/dbraw/zinc/03/27/47/1134032747.db2.gz JGXXZPXMCSGKTN-UHFFFAOYSA-N 1 2 327.815 3.591 20 30 EHEDLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1OC ZINC000775066720 1134278375 /nfs/dbraw/zinc/27/83/75/1134278375.db2.gz RNLVDFNYSDIXLW-KRWDZBQOSA-N 1 2 348.406 3.858 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCC=C)c(Cl)c2)n1 ZINC000789759048 1134328194 /nfs/dbraw/zinc/32/81/94/1134328194.db2.gz NPYOXZMWWLKRHX-UHFFFAOYSA-N 1 2 343.858 3.757 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCC=C)c(Cl)c2)n1 ZINC000789759048 1134328199 /nfs/dbraw/zinc/32/81/99/1134328199.db2.gz NPYOXZMWWLKRHX-UHFFFAOYSA-N 1 2 343.858 3.757 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000789762059 1134328264 /nfs/dbraw/zinc/32/82/64/1134328264.db2.gz SRCNFZCINZOXME-UHFFFAOYSA-N 1 2 340.427 3.570 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000789762059 1134328271 /nfs/dbraw/zinc/32/82/71/1134328271.db2.gz SRCNFZCINZOXME-UHFFFAOYSA-N 1 2 340.427 3.570 20 30 EHEDLO CC(C)[C@H](C(=O)[C@@H](C#N)c1nc2cc(Cl)ccc2s1)[NH+](C)C ZINC000789801178 1134335730 /nfs/dbraw/zinc/33/57/30/1134335730.db2.gz OJPLFYPJIXBFSG-BXUZGUMPSA-N 1 2 335.860 3.712 20 30 EHEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccc(C#N)c(Cl)c2)cn1 ZINC000790173679 1134378227 /nfs/dbraw/zinc/37/82/27/1134378227.db2.gz MTVQNLVIHZOTNI-UHFFFAOYSA-N 1 2 327.819 3.897 20 30 EHEDLO Cn1cc[nH+]c1NN=C1CCc2c1cc(Br)cc2Cl ZINC000790305312 1134400147 /nfs/dbraw/zinc/40/01/47/1134400147.db2.gz JJNPMCZHUPEJPO-UHFFFAOYSA-N 1 2 339.624 3.598 20 30 EHEDLO CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000747062050 1134673637 /nfs/dbraw/zinc/67/36/37/1134673637.db2.gz RZLWIUAZLPTASF-UHFFFAOYSA-N 1 2 335.367 3.925 20 30 EHEDLO C#CC[C@H]([NH2+]Cc1nc(-c2ccc(OCC)cc2)no1)c1ccccc1 ZINC000775401159 1134721454 /nfs/dbraw/zinc/72/14/54/1134721454.db2.gz RLNBQUQBPOFEKU-IBGZPJMESA-N 1 2 347.418 3.990 20 30 EHEDLO CCCCCCCNC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001191104470 1134793618 /nfs/dbraw/zinc/79/36/18/1134793618.db2.gz HEQMDHFBLWQWLW-UHFFFAOYSA-N 1 2 333.476 3.611 20 30 EHEDLO CCCCCCC[C@H](C)NC(=O)N1CC([NH+]2CCC(F)(F)CC2)C1 ZINC001192930819 1135079161 /nfs/dbraw/zinc/07/91/61/1135079161.db2.gz DBSYJOFBXLMXRL-HNNXBMFYSA-N 1 2 345.478 3.860 20 30 EHEDLO C=CCCCCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000805002750 1135226446 /nfs/dbraw/zinc/22/64/46/1135226446.db2.gz AIOSTDALKNAYMS-UHFFFAOYSA-N 1 2 326.444 3.808 20 30 EHEDLO CC[C@@H]1C[C@@H]([NH+]2CC(C)(C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170485726 1135303668 /nfs/dbraw/zinc/30/36/68/1135303668.db2.gz YCVXWNPWHPRTCO-MUJYYYPQSA-N 1 2 335.492 3.789 20 30 EHEDLO N#Cc1ccccc1NC(=S)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001196320382 1135545730 /nfs/dbraw/zinc/54/57/30/1135545730.db2.gz OTGYORDYICOZGA-UHFFFAOYSA-N 1 2 333.420 3.612 20 30 EHEDLO Cc1ccc2[nH+]cc(CN=Nc3ncnc(Cl)c3C(C)C)n2c1 ZINC000797405294 1135547853 /nfs/dbraw/zinc/54/78/53/1135547853.db2.gz PGZCGGLCHHTVLB-UHFFFAOYSA-N 1 2 328.807 3.656 20 30 EHEDLO C#CC[N@H+](Cc1occ(C(F)(F)F)c1C(=O)OCC)C(C)(C)C ZINC001197936903 1135754617 /nfs/dbraw/zinc/75/46/17/1135754617.db2.gz CKIFCLQVSAHFJF-UHFFFAOYSA-N 1 2 331.334 3.709 20 30 EHEDLO C#CC[N@@H+](Cc1occ(C(F)(F)F)c1C(=O)OCC)C(C)(C)C ZINC001197936903 1135754612 /nfs/dbraw/zinc/75/46/12/1135754612.db2.gz CKIFCLQVSAHFJF-UHFFFAOYSA-N 1 2 331.334 3.709 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccsc2)cc1C ZINC000121505158 1135783269 /nfs/dbraw/zinc/78/32/69/1135783269.db2.gz DUZOVPSPZXBEKO-UHFFFAOYSA-N 1 2 341.480 3.744 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccsc2)cc1C ZINC000121505158 1135783272 /nfs/dbraw/zinc/78/32/72/1135783272.db2.gz DUZOVPSPZXBEKO-UHFFFAOYSA-N 1 2 341.480 3.744 20 30 EHEDLO C#CC[N@H+](Cc1ccccc1)Cc1cccc(OC)c1OC(F)F ZINC000809715625 1135876750 /nfs/dbraw/zinc/87/67/50/1135876750.db2.gz FCYIOASLWRVVLZ-UHFFFAOYSA-N 1 2 331.362 3.932 20 30 EHEDLO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1OC(F)F ZINC000809715625 1135876753 /nfs/dbraw/zinc/87/67/53/1135876753.db2.gz FCYIOASLWRVVLZ-UHFFFAOYSA-N 1 2 331.362 3.932 20 30 EHEDLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1[C@H]1CCCO1 ZINC000810030473 1135916891 /nfs/dbraw/zinc/91/68/91/1135916891.db2.gz WVWWVEAGZMYGNQ-IAGOWNOFSA-N 1 2 334.847 3.632 20 30 EHEDLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1[C@H]1CCCO1 ZINC000810030473 1135916893 /nfs/dbraw/zinc/91/68/93/1135916893.db2.gz WVWWVEAGZMYGNQ-IAGOWNOFSA-N 1 2 334.847 3.632 20 30 EHEDLO C[C@@]1(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1(Cl)Cl ZINC000828564888 1136082193 /nfs/dbraw/zinc/08/21/93/1136082193.db2.gz XQVAZNZSTGGWMC-CABCVRRESA-N 1 2 325.239 3.515 20 30 EHEDLO C[C@@]1(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1(Cl)Cl ZINC000828564888 1136082196 /nfs/dbraw/zinc/08/21/96/1136082196.db2.gz XQVAZNZSTGGWMC-CABCVRRESA-N 1 2 325.239 3.515 20 30 EHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(Br)nc3)n2c1 ZINC000811695787 1136126119 /nfs/dbraw/zinc/12/61/19/1136126119.db2.gz DVZRDOTULQQFIM-PLNGDYQASA-N 1 2 342.196 3.696 20 30 EHEDLO CC[N@H+](Cc1cn(-c2ccccc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000338916569 1136162686 /nfs/dbraw/zinc/16/26/86/1136162686.db2.gz MDMSGNNHLZULRB-INIZCTEOSA-N 1 2 331.423 3.722 20 30 EHEDLO CC[N@@H+](Cc1cn(-c2ccccc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000338916569 1136162689 /nfs/dbraw/zinc/16/26/89/1136162689.db2.gz MDMSGNNHLZULRB-INIZCTEOSA-N 1 2 331.423 3.722 20 30 EHEDLO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)[C@@H](C)CC ZINC001170663864 1136176323 /nfs/dbraw/zinc/17/63/23/1136176323.db2.gz GZOYHQVAQNVDAZ-PNPHSEOMSA-N 1 2 337.410 3.556 20 30 EHEDLO CCOC(=O)c1ccc(N[NH+]=C(C)c2ccc(N)cc2C)cc1C ZINC000812230389 1136183369 /nfs/dbraw/zinc/18/33/69/1136183369.db2.gz ZFVJIXMQUYZVAO-UHFFFAOYSA-N 1 2 325.412 3.898 20 30 EHEDLO Cc1ccc2ncc(C#N)c(NCc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC000813590092 1136347337 /nfs/dbraw/zinc/34/73/37/1136347337.db2.gz ZDSPZIRYEYPMGU-UHFFFAOYSA-N 1 2 339.402 3.635 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCSCc2ccccc2)C1 ZINC000852333279 1136450063 /nfs/dbraw/zinc/45/00/63/1136450063.db2.gz JCDVQHRLTCFEJK-HXUWFJFHSA-N 1 2 337.492 3.872 20 30 EHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000852333279 1136450065 /nfs/dbraw/zinc/45/00/65/1136450065.db2.gz JCDVQHRLTCFEJK-HXUWFJFHSA-N 1 2 337.492 3.872 20 30 EHEDLO COC(=O)c1ccc(N[NH+]=C(C)c2cc(N)ccc2F)cc1Cl ZINC000814901732 1136522359 /nfs/dbraw/zinc/52/23/59/1136522359.db2.gz GGKWKNBNNUEJRY-UHFFFAOYSA-N 1 2 335.766 3.684 20 30 EHEDLO CC(C)n1cc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000925488550 1136652278 /nfs/dbraw/zinc/65/22/78/1136652278.db2.gz KOKYPMKNVUBGDY-CYBMUJFWSA-N 1 2 336.361 3.580 20 30 EHEDLO CCCCOc1cc(F)ccc1NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001170985470 1137056153 /nfs/dbraw/zinc/05/61/53/1137056153.db2.gz TZZIGWSADJOBOD-UHFFFAOYSA-N 1 2 344.386 3.828 20 30 EHEDLO C#CC1CC[NH+](Cc2c(Cl)nccc2NC(=O)OC(C)(C)C)CC1 ZINC001136900540 1137143328 /nfs/dbraw/zinc/14/33/28/1137143328.db2.gz QRNGTGRHFPBHLK-UHFFFAOYSA-N 1 2 349.862 3.927 20 30 EHEDLO Cc1nc(C(C)C)ccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000339037727 1137144307 /nfs/dbraw/zinc/14/43/07/1137144307.db2.gz UQCWOZFJVZWSGY-JOCHJYFZSA-N 1 2 348.494 3.896 20 30 EHEDLO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143722901 1137194082 /nfs/dbraw/zinc/19/40/82/1137194082.db2.gz KURHIGVBTMYSKX-LJQANCHMSA-N 1 2 345.874 3.579 20 30 EHEDLO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143722901 1137194084 /nfs/dbraw/zinc/19/40/84/1137194084.db2.gz KURHIGVBTMYSKX-LJQANCHMSA-N 1 2 345.874 3.579 20 30 EHEDLO C=CC[C@@](C)([NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1)C(=O)OC ZINC001171148323 1137248005 /nfs/dbraw/zinc/24/80/05/1137248005.db2.gz DEQHOMJGUZNGIX-CXAGYDPISA-N 1 2 342.266 3.948 20 30 EHEDLO N#Cc1ccc2[nH]c(NCc3ccc(OC[C@H]4CCCO4)cc3)[nH+]c2c1 ZINC000865296065 1137275480 /nfs/dbraw/zinc/27/54/80/1137275480.db2.gz OZKPQCXPRJDVKA-QGZVFWFLSA-N 1 2 348.406 3.604 20 30 EHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)Cn2c[nH+]c(C(C)(C)C)c2)c1 ZINC000865375516 1137278465 /nfs/dbraw/zinc/27/84/65/1137278465.db2.gz XVUFVBGUDOZISW-UHFFFAOYSA-N 1 2 338.455 3.744 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144558770 1137309732 /nfs/dbraw/zinc/30/97/32/1137309732.db2.gz CXZQYBJSUONRDK-HNNXBMFYSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144558770 1137309733 /nfs/dbraw/zinc/30/97/33/1137309733.db2.gz CXZQYBJSUONRDK-HNNXBMFYSA-N 1 2 344.361 3.585 20 30 EHEDLO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866351409 1137348400 /nfs/dbraw/zinc/34/84/00/1137348400.db2.gz JZCRBIPUZXTFJO-QFBILLFUSA-N 1 2 338.451 3.952 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000847032577 1137383718 /nfs/dbraw/zinc/38/37/18/1137383718.db2.gz WWTDLXYDEMGYKK-CQSZACIVSA-N 1 2 330.428 3.706 20 30 EHEDLO C#C[C@@H]1CCC[N@H+](Cc2csc(COc3ccc(F)cc3)n2)C1 ZINC000847032577 1137383720 /nfs/dbraw/zinc/38/37/20/1137383720.db2.gz WWTDLXYDEMGYKK-CQSZACIVSA-N 1 2 330.428 3.706 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4cccc(F)c4)o3)CCC2)cc1 ZINC000847053280 1137385690 /nfs/dbraw/zinc/38/56/90/1137385690.db2.gz MTEZKSOJXOJSMZ-UHFFFAOYSA-N 1 2 348.381 3.916 20 30 EHEDLO N#Cc1ccc(C2=CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000348117580 1137442443 /nfs/dbraw/zinc/44/24/43/1137442443.db2.gz LRKAUFZPKCZPCL-UHFFFAOYSA-N 1 2 345.450 3.632 20 30 EHEDLO N#Cc1ccc(C2=CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000348117580 1137442444 /nfs/dbraw/zinc/44/24/44/1137442444.db2.gz LRKAUFZPKCZPCL-UHFFFAOYSA-N 1 2 345.450 3.632 20 30 EHEDLO CCC[C@@](C)(C#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172092543 1137531878 /nfs/dbraw/zinc/53/18/78/1137531878.db2.gz YEGKFLWKDVMSNZ-RCJHGTSTSA-N 1 2 335.492 3.979 20 30 EHEDLO Cc1ccc(Br)c(N2CCC[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000872443186 1137580235 /nfs/dbraw/zinc/58/02/35/1137580235.db2.gz VFVUZBSOMILCDQ-CYBMUJFWSA-N 1 2 345.244 3.667 20 30 EHEDLO C=C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000874892702 1137625771 /nfs/dbraw/zinc/62/57/71/1137625771.db2.gz KRASFDOTFIMORW-OXJNMPFZSA-N 1 2 338.426 3.659 20 30 EHEDLO Cn1c(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc2ccccc21 ZINC000876816777 1137662363 /nfs/dbraw/zinc/66/23/63/1137662363.db2.gz QFCPZARBCZTAPL-OAQYLSRUSA-N 1 2 331.419 3.623 20 30 EHEDLO Cn1c(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc2ccccc21 ZINC000876816777 1137662364 /nfs/dbraw/zinc/66/23/64/1137662364.db2.gz QFCPZARBCZTAPL-OAQYLSRUSA-N 1 2 331.419 3.623 20 30 EHEDLO CCOc1cc(Cl)ccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877114441 1137670454 /nfs/dbraw/zinc/67/04/54/1137670454.db2.gz QIPVHKSJGJCKHG-UHFFFAOYSA-N 1 2 336.222 3.949 20 30 EHEDLO N#CC1(c2ccc(C[NH+]3CC(O)(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000825944592 1137671906 /nfs/dbraw/zinc/67/19/06/1137671906.db2.gz YOAVGYSANINACO-UHFFFAOYSA-N 1 2 338.838 3.599 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1c1cc(C)on1)c1ccccc1 ZINC000877921318 1137695686 /nfs/dbraw/zinc/69/56/86/1137695686.db2.gz HENVLUXDOLKGEK-UXHICEINSA-N 1 2 337.423 3.561 20 30 EHEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1c1cc(C)on1)c1ccccc1 ZINC000877921318 1137695687 /nfs/dbraw/zinc/69/56/87/1137695687.db2.gz HENVLUXDOLKGEK-UXHICEINSA-N 1 2 337.423 3.561 20 30 EHEDLO COc1ccccc1[C@H]1CSCCC[N@@H+]1Cc1ccncc1C#N ZINC000880176386 1137770072 /nfs/dbraw/zinc/77/00/72/1137770072.db2.gz QEIKTFZVIFMQOS-GOSISDBHSA-N 1 2 339.464 3.642 20 30 EHEDLO COc1ccccc1[C@H]1CSCCC[N@H+]1Cc1ccncc1C#N ZINC000880176386 1137770073 /nfs/dbraw/zinc/77/00/73/1137770073.db2.gz QEIKTFZVIFMQOS-GOSISDBHSA-N 1 2 339.464 3.642 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111307153 1137904090 /nfs/dbraw/zinc/90/40/90/1137904090.db2.gz CMLRXBCTCMOQLU-CQSZACIVSA-N 1 2 345.855 3.701 20 30 EHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111307153 1137904091 /nfs/dbraw/zinc/90/40/91/1137904091.db2.gz CMLRXBCTCMOQLU-CQSZACIVSA-N 1 2 345.855 3.701 20 30 EHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCn1cc[nH+]c1 ZINC000338090670 1138747491 /nfs/dbraw/zinc/74/74/91/1138747491.db2.gz UFLONMVUITYRSD-UHFFFAOYSA-N 1 2 346.390 3.884 20 30 EHEDLO C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174451280 1139420911 /nfs/dbraw/zinc/42/09/11/1139420911.db2.gz GTSOCGHMSQLQEV-UHFFFAOYSA-N 1 2 335.407 3.666 20 30 EHEDLO C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174451280 1139420926 /nfs/dbraw/zinc/42/09/26/1139420926.db2.gz GTSOCGHMSQLQEV-UHFFFAOYSA-N 1 2 335.407 3.666 20 30 EHEDLO C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1ccc(C#N)o1 ZINC000174451280 1139420939 /nfs/dbraw/zinc/42/09/39/1139420939.db2.gz GTSOCGHMSQLQEV-UHFFFAOYSA-N 1 2 335.407 3.666 20 30 EHEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)Cc2ccccc2Cl)cs1 ZINC000177565247 1139627134 /nfs/dbraw/zinc/62/71/34/1139627134.db2.gz XRGSMHUJIOPYHJ-SNVBAGLBSA-N 1 2 339.848 3.535 20 30 EHEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)c(C#N)c1C ZINC000078321685 217040750 /nfs/dbraw/zinc/04/07/50/217040750.db2.gz QWWQONXLXFSSQE-UHFFFAOYSA-N 1 2 347.871 3.961 20 30 EHEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)c(C#N)c1C ZINC000078321685 217040754 /nfs/dbraw/zinc/04/07/54/217040754.db2.gz QWWQONXLXFSSQE-UHFFFAOYSA-N 1 2 347.871 3.961 20 30 EHEDLO C[C@H]1CCN(c2cccc(Br)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000367956746 524308352 /nfs/dbraw/zinc/30/83/52/524308352.db2.gz NUIOMXTUKNVRNQ-LRDDRELGSA-N 1 2 345.244 3.605 20 30 EHEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC000126940640 1015119849 /nfs/dbraw/zinc/11/98/49/1015119849.db2.gz AOOIPKORGPFJOO-UHFFFAOYSA-N 1 2 340.496 3.634 20 30 EHEDLO N#CC[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC001125301243 1015292797 /nfs/dbraw/zinc/29/27/97/1015292797.db2.gz MXBLLJAPLGEWOO-INIZCTEOSA-N 1 2 334.354 3.647 20 30 EHEDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187201306 1015885874 /nfs/dbraw/zinc/88/58/74/1015885874.db2.gz BCJOZYNUHJNUQV-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187201306 1015885887 /nfs/dbraw/zinc/88/58/87/1015885887.db2.gz BCJOZYNUHJNUQV-UHFFFAOYSA-N 1 2 328.799 3.630 20 30 EHEDLO N#Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)c2ccccc2n1 ZINC000610246064 1016032201 /nfs/dbraw/zinc/03/22/01/1016032201.db2.gz VVMYSLNOXVJOTF-UHFFFAOYSA-N 1 2 329.407 3.657 20 30 EHEDLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000007878729 1016790684 /nfs/dbraw/zinc/79/06/84/1016790684.db2.gz ADWBJGPZVHNBLZ-LLVKDONJSA-N 1 2 345.855 3.831 20 30 EHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000007878729 1016790699 /nfs/dbraw/zinc/79/06/99/1016790699.db2.gz ADWBJGPZVHNBLZ-LLVKDONJSA-N 1 2 345.855 3.831 20 30 EHEDLO C=CC(C)(C)CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001266484638 1016983281 /nfs/dbraw/zinc/98/32/81/1016983281.db2.gz FQZGPRKDZOHILU-GOSISDBHSA-N 1 2 325.456 3.960 20 30 EHEDLO CC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000459476632 1032190034 /nfs/dbraw/zinc/19/00/34/1032190034.db2.gz RPMPBNUUNBYUHA-QGZVFWFLSA-N 1 2 325.368 3.716 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC12CCC2 ZINC000081515657 1032341209 /nfs/dbraw/zinc/34/12/09/1032341209.db2.gz KFKMBZDIYSTSGI-CQSZACIVSA-N 1 2 329.469 3.648 20 30 EHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC12CCC2 ZINC000081515657 1032341221 /nfs/dbraw/zinc/34/12/21/1032341221.db2.gz KFKMBZDIYSTSGI-CQSZACIVSA-N 1 2 329.469 3.648 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000176833993 1032372250 /nfs/dbraw/zinc/37/22/50/1032372250.db2.gz FCYSOSAWRPRRJV-CQSZACIVSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@H](C)C2(C)CC2)c1=S ZINC000176833993 1032372263 /nfs/dbraw/zinc/37/22/63/1032372263.db2.gz FCYSOSAWRPRRJV-CQSZACIVSA-N 1 2 343.500 3.740 20 30 EHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528574863 1032453488 /nfs/dbraw/zinc/45/34/88/1032453488.db2.gz PBQAGXRTNPCFPV-UHFFFAOYSA-N 1 2 328.362 3.880 20 30 EHEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610276280 1017305585 /nfs/dbraw/zinc/30/55/85/1017305585.db2.gz IBJBKFFNOOBLES-HNNXBMFYSA-N 1 2 337.814 3.798 20 30 EHEDLO N#Cc1cc(F)ccc1Nc1cc(Br)c2[nH+]ccn2c1 ZINC001210549709 1018251484 /nfs/dbraw/zinc/25/14/84/1018251484.db2.gz DCLOQRIIFIUCJH-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO COC1(C(F)(F)F)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000419361354 1018878070 /nfs/dbraw/zinc/87/80/70/1018878070.db2.gz XTFOQJJDIKFURJ-UHFFFAOYSA-N 1 2 331.765 3.735 20 30 EHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccccc4)no3)CCC2)cc1 ZINC000594033323 1032824452 /nfs/dbraw/zinc/82/44/52/1032824452.db2.gz ZQXWFZRLSIWXDX-UHFFFAOYSA-N 1 2 330.391 3.777 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513392342 1019601225 /nfs/dbraw/zinc/60/12/25/1019601225.db2.gz PGHCFROYGQSGOV-UHFFFAOYSA-N 1 2 327.378 3.549 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513392342 1019601230 /nfs/dbraw/zinc/60/12/30/1019601230.db2.gz PGHCFROYGQSGOV-UHFFFAOYSA-N 1 2 327.378 3.549 20 30 EHEDLO Cn1c(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc2ccccc21 ZINC000897595382 1032878726 /nfs/dbraw/zinc/87/87/26/1032878726.db2.gz AIJHSOWMDJDJAO-NRFANRHFSA-N 1 2 331.419 3.623 20 30 EHEDLO Cn1c(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc2ccccc21 ZINC000897595382 1032878741 /nfs/dbraw/zinc/87/87/41/1032878741.db2.gz AIJHSOWMDJDJAO-NRFANRHFSA-N 1 2 331.419 3.623 20 30 EHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602456297 1032895810 /nfs/dbraw/zinc/89/58/10/1032895810.db2.gz WRHUJHSIUDKIPY-UHFFFAOYSA-N 1 2 345.450 3.696 20 30 EHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602456297 1032895830 /nfs/dbraw/zinc/89/58/30/1032895830.db2.gz WRHUJHSIUDKIPY-UHFFFAOYSA-N 1 2 345.450 3.696 20 30 EHEDLO Cc1csc([C@H](C#N)C(=O)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000581062848 1020396554 /nfs/dbraw/zinc/39/65/54/1020396554.db2.gz PWDAQBNAXLZMSX-QGZVFWFLSA-N 1 2 339.464 3.928 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000127167948 1020593838 /nfs/dbraw/zinc/59/38/38/1020593838.db2.gz AGQKFTOYWOLZOJ-VQIMIIECSA-N 1 2 326.440 3.772 20 30 EHEDLO O=C1C=COC2(CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)C1 ZINC000897601877 1032928792 /nfs/dbraw/zinc/92/87/92/1032928792.db2.gz ABSUHPMXBKLYTL-UHFFFAOYSA-N 1 2 343.320 3.682 20 30 EHEDLO O=C1C=COC2(CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)C1 ZINC000897602413 1032929934 /nfs/dbraw/zinc/92/99/34/1032929934.db2.gz NXYGCPMCGFBFMX-UHFFFAOYSA-N 1 2 343.320 3.682 20 30 EHEDLO C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000602521048 1032933675 /nfs/dbraw/zinc/93/36/75/1032933675.db2.gz NSOHQWSJLZKIHM-MRXNPFEDSA-N 1 2 328.460 3.583 20 30 EHEDLO Clc1ccc(C#CC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000426394370 1021464628 /nfs/dbraw/zinc/46/46/28/1021464628.db2.gz JCSMDYCHJNADMQ-IBGZPJMESA-N 1 2 329.827 3.966 20 30 EHEDLO Clc1ccc(C#CC[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000426394370 1021464632 /nfs/dbraw/zinc/46/46/32/1021464632.db2.gz JCSMDYCHJNADMQ-IBGZPJMESA-N 1 2 329.827 3.966 20 30 EHEDLO C#C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(Br)cc1 ZINC000894871413 1021548337 /nfs/dbraw/zinc/54/83/37/1021548337.db2.gz UKMXPGYDLYKNAI-INIZCTEOSA-N 1 2 342.240 3.581 20 30 EHEDLO Cc1nc([C@H]([NH2+]C2CCC(C#N)CC2)c2ccc(Cl)cc2)no1 ZINC000602580248 1032999013 /nfs/dbraw/zinc/99/90/13/1032999013.db2.gz CTASVQGHSQQPLE-VDSRIPIWSA-N 1 2 330.819 3.793 20 30 EHEDLO C=CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000187532229 1022181480 /nfs/dbraw/zinc/18/14/80/1022181480.db2.gz KHKAOVQGKILPQH-IBGZPJMESA-N 1 2 331.419 3.848 20 30 EHEDLO N#Cc1nc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1Cl ZINC000067369623 1022421044 /nfs/dbraw/zinc/42/10/44/1022421044.db2.gz NOKOJXGDOMCSTI-UHFFFAOYSA-N 1 2 327.750 3.544 20 30 EHEDLO CC(=O)N1CC[N@H+](CC(=O)NC2CCCCCC2)CC12CCCCC2 ZINC000328946329 1022537706 /nfs/dbraw/zinc/53/77/06/1022537706.db2.gz BCPCOWDTGRNRKF-UHFFFAOYSA-N 1 2 349.519 3.533 20 30 EHEDLO CC(=O)N1CC[N@@H+](CC(=O)NC2CCCCCC2)CC12CCCCC2 ZINC000328946329 1022537720 /nfs/dbraw/zinc/53/77/20/1022537720.db2.gz BCPCOWDTGRNRKF-UHFFFAOYSA-N 1 2 349.519 3.533 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000127959460 1022956525 /nfs/dbraw/zinc/95/65/25/1022956525.db2.gz WIUPAFCSLIWDNH-OAHLLOKOSA-N 1 2 341.480 3.991 20 30 EHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000127959460 1022956555 /nfs/dbraw/zinc/95/65/55/1022956555.db2.gz WIUPAFCSLIWDNH-OAHLLOKOSA-N 1 2 341.480 3.991 20 30 EHEDLO CC[N@H+](Cc1ccc(C#N)cc1F)Cc1ccc(OC)cc1OC ZINC000507117999 1023136486 /nfs/dbraw/zinc/13/64/86/1023136486.db2.gz ASWBNIXPQJDOOU-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO CC[N@@H+](Cc1ccc(C#N)cc1F)Cc1ccc(OC)cc1OC ZINC000507117999 1023136491 /nfs/dbraw/zinc/13/64/91/1023136491.db2.gz ASWBNIXPQJDOOU-UHFFFAOYSA-N 1 2 328.387 3.737 20 30 EHEDLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507275275 1023218722 /nfs/dbraw/zinc/21/87/22/1023218722.db2.gz BBYMRRJDYNNKNY-AWEZNQCLSA-N 1 2 327.378 3.720 20 30 EHEDLO C=C(CC)CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000459093823 1023291033 /nfs/dbraw/zinc/29/10/33/1023291033.db2.gz OLVPOYXXQREMIN-UHFFFAOYSA-N 1 2 346.862 3.715 20 30 EHEDLO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000610788743 1023517457 /nfs/dbraw/zinc/51/74/57/1023517457.db2.gz KMIKDSLNSUOYMG-GOSISDBHSA-N 1 2 339.464 3.814 20 30 EHEDLO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000610788743 1023517460 /nfs/dbraw/zinc/51/74/60/1023517460.db2.gz KMIKDSLNSUOYMG-GOSISDBHSA-N 1 2 339.464 3.814 20 30 EHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC=C(c3ccccc3)C2)C1=O ZINC000341975029 1023728562 /nfs/dbraw/zinc/72/85/62/1023728562.db2.gz IZNFVDSLJSRMEI-SFHVURJKSA-N 1 2 349.459 3.514 20 30 EHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC=C(c3ccccc3)C2)C1=O ZINC000341975029 1023728573 /nfs/dbraw/zinc/72/85/73/1023728573.db2.gz IZNFVDSLJSRMEI-SFHVURJKSA-N 1 2 349.459 3.514 20 30 EHEDLO N#Cc1ccc(Cc2cnc(NCc3cccc4[nH+]ccn43)s2)cc1 ZINC000185937522 1024017859 /nfs/dbraw/zinc/01/78/59/1024017859.db2.gz JZOZFBIKHUYGPS-UHFFFAOYSA-N 1 2 345.431 3.865 20 30 EHEDLO COc1cc(F)cc(N[NH+]=Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000759211062 1024274579 /nfs/dbraw/zinc/27/45/79/1024274579.db2.gz YLBBBSBFLLRMSL-UHFFFAOYSA-N 1 2 326.375 3.630 20 30 EHEDLO Cc1[nH+]c[nH]c1CNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000330118975 1024324599 /nfs/dbraw/zinc/32/45/99/1024324599.db2.gz ZGYKNZXNVGDIDK-UHFFFAOYSA-N 1 2 344.459 3.738 20 30 EHEDLO N#Cc1cc2ccccc2nc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895354752 1024370821 /nfs/dbraw/zinc/37/08/21/1024370821.db2.gz FPCCECXWODPTLH-UHFFFAOYSA-N 1 2 329.407 3.582 20 30 EHEDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346196908 1024517744 /nfs/dbraw/zinc/51/77/44/1024517744.db2.gz PKGIMJYGAQDFDW-MLGOLLRUSA-N 1 2 327.407 3.598 20 30 EHEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000897944988 1033252671 /nfs/dbraw/zinc/25/26/71/1033252671.db2.gz SMJFUDTWQDTFLI-UHFFFAOYSA-N 1 2 326.444 3.612 20 30 EHEDLO N#CC1(CCC[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)CCOCC1 ZINC000366895210 1025132092 /nfs/dbraw/zinc/13/20/92/1025132092.db2.gz JMLIGRATGXDKMA-INIZCTEOSA-N 1 2 344.459 3.575 20 30 EHEDLO N#CC1(CCC[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)CCOCC1 ZINC000366895210 1025132095 /nfs/dbraw/zinc/13/20/95/1025132095.db2.gz JMLIGRATGXDKMA-INIZCTEOSA-N 1 2 344.459 3.575 20 30 EHEDLO C=CC[N@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000019540563 1025176300 /nfs/dbraw/zinc/17/63/00/1025176300.db2.gz IMBSAFNCOABHML-UHFFFAOYSA-N 1 2 346.408 3.711 20 30 EHEDLO C=CC[N@@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000019540563 1025176310 /nfs/dbraw/zinc/17/63/10/1025176310.db2.gz IMBSAFNCOABHML-UHFFFAOYSA-N 1 2 346.408 3.711 20 30 EHEDLO CC(C)(C#N)CCCC[S@@](=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000436091781 1025383080 /nfs/dbraw/zinc/38/30/80/1025383080.db2.gz PMLSUNKFVLHCQA-XMMPIXPASA-N 1 2 343.496 3.900 20 30 EHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436154658 1025421562 /nfs/dbraw/zinc/42/15/62/1025421562.db2.gz SCPNJYCBUHTUPT-SECBINFHSA-N 1 2 348.615 3.536 20 30 EHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(I)c(Cl)c1 ZINC000436154658 1025421574 /nfs/dbraw/zinc/42/15/74/1025421574.db2.gz SCPNJYCBUHTUPT-SECBINFHSA-N 1 2 348.615 3.536 20 30 EHEDLO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccc(OC)cc1 ZINC000515745058 1025535652 /nfs/dbraw/zinc/53/56/52/1025535652.db2.gz NVTKTSXCZCDSRA-MBOZVWFJSA-N 1 2 344.499 3.624 20 30 EHEDLO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)Cc1ccc(OC)cc1 ZINC000515745058 1025535659 /nfs/dbraw/zinc/53/56/59/1025535659.db2.gz NVTKTSXCZCDSRA-MBOZVWFJSA-N 1 2 344.499 3.624 20 30 EHEDLO CC(C)(C#N)CC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000451113145 1025548588 /nfs/dbraw/zinc/54/85/88/1025548588.db2.gz BDPHDPLFTCRMTH-UHFFFAOYSA-N 1 2 325.225 3.886 20 30 EHEDLO CC(C)(C#N)CC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000451113145 1025548597 /nfs/dbraw/zinc/54/85/97/1025548597.db2.gz BDPHDPLFTCRMTH-UHFFFAOYSA-N 1 2 325.225 3.886 20 30 EHEDLO O=C(N[C@@H]1CCCOc2c(Cl)cccc21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329179203 1025645452 /nfs/dbraw/zinc/64/54/52/1025645452.db2.gz CYRNHXAWHZOTLB-MLGOLLRUSA-N 1 2 345.830 3.969 20 30 EHEDLO Cc1ccnc(C)c1[NH+]=C([O-])N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329234546 1025683914 /nfs/dbraw/zinc/68/39/14/1025683914.db2.gz HXAAUKZMDJSXOA-CQSZACIVSA-N 1 2 341.459 3.533 20 30 EHEDLO CC[N@H+](Cc1cccnc1)Cc1cc(Br)ccc1C#N ZINC001141903283 1025696353 /nfs/dbraw/zinc/69/63/53/1025696353.db2.gz YSUZIFQBMPIJQC-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO CC[N@@H+](Cc1cccnc1)Cc1cc(Br)ccc1C#N ZINC001141903283 1025696361 /nfs/dbraw/zinc/69/63/61/1025696361.db2.gz YSUZIFQBMPIJQC-UHFFFAOYSA-N 1 2 330.229 3.738 20 30 EHEDLO Cc1cc([NH+]2CCCCCC2)ccc1NC([O-])=[NH+][C@@H]1C[C@H](O)C1(C)C ZINC000329444432 1025856814 /nfs/dbraw/zinc/85/68/14/1025856814.db2.gz NNTIZFMXCBWJCI-MSOLQXFVSA-N 1 2 345.487 3.861 20 30 EHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000451882845 1026350655 /nfs/dbraw/zinc/35/06/55/1026350655.db2.gz STOLFZAUIDMKAJ-AWEZNQCLSA-N 1 2 344.808 3.508 20 30 EHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000451882845 1026350666 /nfs/dbraw/zinc/35/06/66/1026350666.db2.gz STOLFZAUIDMKAJ-AWEZNQCLSA-N 1 2 344.808 3.508 20 30 EHEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000451964941 1026402263 /nfs/dbraw/zinc/40/22/63/1026402263.db2.gz CEIIHTIABFLLRB-INIZCTEOSA-N 1 2 343.427 3.843 20 30 EHEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000451964941 1026402271 /nfs/dbraw/zinc/40/22/71/1026402271.db2.gz CEIIHTIABFLLRB-INIZCTEOSA-N 1 2 343.427 3.843 20 30 EHEDLO N#CCCCOc1cccc(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000377317117 1027440952 /nfs/dbraw/zinc/44/09/52/1027440952.db2.gz OTPVUHOUDGHCMI-UHFFFAOYSA-N 1 2 325.412 3.526 20 30 EHEDLO CC1(C)C[N@H+](Cc2cc(F)ccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440563529 1028278703 /nfs/dbraw/zinc/27/87/03/1028278703.db2.gz YGLFYJXTVKXEBE-LIVBEALHSA-N 1 2 328.431 3.867 20 30 EHEDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440563529 1028278713 /nfs/dbraw/zinc/27/87/13/1028278713.db2.gz YGLFYJXTVKXEBE-LIVBEALHSA-N 1 2 328.431 3.867 20 30 EHEDLO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246585574 1028664520 /nfs/dbraw/zinc/66/45/20/1028664520.db2.gz STMFCMRWPIPRPS-OCCSQVGLSA-N 1 2 338.238 3.890 20 30 EHEDLO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000246585574 1028664527 /nfs/dbraw/zinc/66/45/27/1028664527.db2.gz STMFCMRWPIPRPS-OCCSQVGLSA-N 1 2 338.238 3.890 20 30 EHEDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000503108156 1029069609 /nfs/dbraw/zinc/06/96/09/1029069609.db2.gz ZVNOVYMUONPLRA-HXUWFJFHSA-N 1 2 334.398 3.585 20 30 EHEDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000503108156 1029069626 /nfs/dbraw/zinc/06/96/26/1029069626.db2.gz ZVNOVYMUONPLRA-HXUWFJFHSA-N 1 2 334.398 3.585 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272530789 1029499464 /nfs/dbraw/zinc/49/94/64/1029499464.db2.gz IJJWMERAOGRNEP-HNNXBMFYSA-N 1 2 327.472 3.937 20 30 EHEDLO N#CCOc1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000272596508 1029527073 /nfs/dbraw/zinc/52/70/73/1029527073.db2.gz XFRRKHSZEVSQJU-GOSISDBHSA-N 1 2 330.378 3.945 20 30 EHEDLO N#CC1CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000193317309 1029821112 /nfs/dbraw/zinc/82/11/12/1029821112.db2.gz HRXQPTGQXXSOFQ-UHFFFAOYSA-N 1 2 345.446 3.685 20 30 EHEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ncc(C(F)(F)F)cn1 ZINC000453304734 1030073176 /nfs/dbraw/zinc/07/31/76/1030073176.db2.gz HPJPNTKXCMBNHA-MRXNPFEDSA-N 1 2 346.356 3.924 20 30 EHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCCN(C(C)C)C1=O ZINC000447854257 1030543403 /nfs/dbraw/zinc/54/34/03/1030543403.db2.gz KNEWSUHFFKNVAH-AWEZNQCLSA-N 1 2 326.893 3.789 20 30 EHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCCN(C(C)C)C1=O ZINC000447854257 1030543412 /nfs/dbraw/zinc/54/34/12/1030543412.db2.gz KNEWSUHFFKNVAH-AWEZNQCLSA-N 1 2 326.893 3.789 20 30 EHEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000482894956 1030794144 /nfs/dbraw/zinc/79/41/44/1030794144.db2.gz VXNBOWSZUQBUEL-SFHVURJKSA-N 1 2 343.446 3.695 20 30 EHEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000482894956 1030794164 /nfs/dbraw/zinc/79/41/64/1030794164.db2.gz VXNBOWSZUQBUEL-SFHVURJKSA-N 1 2 343.446 3.695 20 30 EHEDLO C=CC(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000448604213 1031311636 /nfs/dbraw/zinc/31/16/36/1031311636.db2.gz LXFMWXXXGKVEPF-UHFFFAOYSA-N 1 2 341.480 3.852 20 30 EHEDLO C=CC(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000448604213 1031311644 /nfs/dbraw/zinc/31/16/44/1031311644.db2.gz LXFMWXXXGKVEPF-UHFFFAOYSA-N 1 2 341.480 3.852 20 30 EHEDLO COC(=O)c1cccc(COc2cc(C)[nH+]c3ccccc32)c1C#N ZINC000584028941 1031499427 /nfs/dbraw/zinc/49/94/27/1031499427.db2.gz JCUZAAGMTZRWMK-UHFFFAOYSA-N 1 2 332.359 3.781 20 30 EHEDLO C=CCOc1ccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000052910162 1032003811 /nfs/dbraw/zinc/00/38/11/1032003811.db2.gz NRWGSTIKKZFINN-UHFFFAOYSA-N 1 2 349.390 3.698 20 30 EHEDLO CCOc1cccc([C@@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000459394105 1032056734 /nfs/dbraw/zinc/05/67/34/1032056734.db2.gz NQZAGXMONZRGJJ-CYBMUJFWSA-N 1 2 325.368 3.716 20 30 EHEDLO C=C(Cl)C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000158038993 1033359593 /nfs/dbraw/zinc/35/95/93/1033359593.db2.gz WPJPEOQMIPWHSB-UHFFFAOYSA-N 1 2 328.243 3.632 20 30 EHEDLO C=C(Cl)C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000158038993 1033359607 /nfs/dbraw/zinc/35/96/07/1033359607.db2.gz WPJPEOQMIPWHSB-UHFFFAOYSA-N 1 2 328.243 3.632 20 30 EHEDLO CC[C@H](CC#N)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC000594611312 1033478280 /nfs/dbraw/zinc/47/82/80/1033478280.db2.gz INLOOXZVGAJFSJ-CQSZACIVSA-N 1 2 347.260 3.725 20 30 EHEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1ncc(-c2ccccc2)o1 ZINC000158148193 1033758487 /nfs/dbraw/zinc/75/84/87/1033758487.db2.gz CPARCMMFGLZGJF-CYBMUJFWSA-N 1 2 349.390 3.675 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616607 1033900688 /nfs/dbraw/zinc/90/06/88/1033900688.db2.gz RZXBQLDNWVUPMC-NEPJUHHUSA-N 1 2 340.254 3.946 20 30 EHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616607 1033900696 /nfs/dbraw/zinc/90/06/96/1033900696.db2.gz RZXBQLDNWVUPMC-NEPJUHHUSA-N 1 2 340.254 3.946 20 30 EHEDLO C=C(Br)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084496849 1033913488 /nfs/dbraw/zinc/91/34/88/1033913488.db2.gz CTUVAAJWMYAXJV-OAHLLOKOSA-N 1 2 336.229 3.724 20 30 EHEDLO C=C(Br)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084496849 1033913498 /nfs/dbraw/zinc/91/34/98/1033913498.db2.gz CTUVAAJWMYAXJV-OAHLLOKOSA-N 1 2 336.229 3.724 20 30 EHEDLO COc1ccc(-c2nnc(C[NH2+]C(C)(C)c3cccc(C#N)c3)o2)cc1 ZINC000595641398 1033933028 /nfs/dbraw/zinc/93/30/28/1033933028.db2.gz KUESXDHWRCQJIG-UHFFFAOYSA-N 1 2 348.406 3.642 20 30 EHEDLO N#Cc1cc2cccnc2nc1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000596230606 1034128552 /nfs/dbraw/zinc/12/85/52/1034128552.db2.gz AIGSTHILBYKRBV-QAQDUYKDSA-N 1 2 344.422 3.732 20 30 EHEDLO CCCCn1c(S[C@@H]2CC[C@H](C#N)C2)nnc1[C@@H](CC)[NH+](C)C ZINC000450586083 1034549231 /nfs/dbraw/zinc/54/92/31/1034549231.db2.gz BCANDZQYOQDROI-RRFJBIMHSA-N 1 2 335.521 3.875 20 30 EHEDLO CC1(C)C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000597129099 1034552881 /nfs/dbraw/zinc/55/28/81/1034552881.db2.gz IAPYLZQNKPNVAA-OAHLLOKOSA-N 1 2 338.373 3.783 20 30 EHEDLO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000597129099 1034552889 /nfs/dbraw/zinc/55/28/89/1034552889.db2.gz IAPYLZQNKPNVAA-OAHLLOKOSA-N 1 2 338.373 3.783 20 30 EHEDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597152018 1034566528 /nfs/dbraw/zinc/56/65/28/1034566528.db2.gz VIZIHNCTSQVHID-OAHLLOKOSA-N 1 2 340.467 3.936 20 30 EHEDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597152018 1034566536 /nfs/dbraw/zinc/56/65/36/1034566536.db2.gz VIZIHNCTSQVHID-OAHLLOKOSA-N 1 2 340.467 3.936 20 30 EHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597185727 1034590288 /nfs/dbraw/zinc/59/02/88/1034590288.db2.gz BZCMUIGFJDUSLL-BFHYXJOUSA-N 1 2 340.452 3.557 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121291799 1034637157 /nfs/dbraw/zinc/63/71/57/1034637157.db2.gz KVSCFQARXONQMM-KRWDZBQOSA-N 1 2 341.455 3.753 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OC ZINC000121291799 1034637161 /nfs/dbraw/zinc/63/71/61/1034637161.db2.gz KVSCFQARXONQMM-KRWDZBQOSA-N 1 2 341.455 3.753 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000661380278 1035387905 /nfs/dbraw/zinc/38/79/05/1035387905.db2.gz LYOKJLWROOQIFD-ZDUSSCGKSA-N 1 2 337.261 3.676 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000661380278 1035387910 /nfs/dbraw/zinc/38/79/10/1035387910.db2.gz LYOKJLWROOQIFD-ZDUSSCGKSA-N 1 2 337.261 3.676 20 30 EHEDLO C#CC[N@@H+](Cc1ccn(CC(F)(F)F)n1)[C@@H]1CCc2ccccc21 ZINC000491298601 1035587621 /nfs/dbraw/zinc/58/76/21/1035587621.db2.gz WCTNOPIDNRUJEH-QGZVFWFLSA-N 1 2 333.357 3.568 20 30 EHEDLO C#CC[N@H+](Cc1ccn(CC(F)(F)F)n1)[C@@H]1CCc2ccccc21 ZINC000491298601 1035587630 /nfs/dbraw/zinc/58/76/30/1035587630.db2.gz WCTNOPIDNRUJEH-QGZVFWFLSA-N 1 2 333.357 3.568 20 30 EHEDLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccccc1C(C)(C)C#N ZINC000305114447 1035681149 /nfs/dbraw/zinc/68/11/49/1035681149.db2.gz FCJCGOOUBHFJIJ-HNNXBMFYSA-N 1 2 348.450 3.678 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000103139153 1036850471 /nfs/dbraw/zinc/85/04/71/1036850471.db2.gz UOJFYBYEKXPXAI-QGZVFWFLSA-N 1 2 330.428 3.940 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000103139153 1036850491 /nfs/dbraw/zinc/85/04/91/1036850491.db2.gz UOJFYBYEKXPXAI-QGZVFWFLSA-N 1 2 330.428 3.940 20 30 EHEDLO Cn1cc(C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cc1C#N ZINC000191330720 1036928772 /nfs/dbraw/zinc/92/87/72/1036928772.db2.gz IBNHADVDEUHVAJ-LJQANCHMSA-N 1 2 336.826 3.824 20 30 EHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168459048 1037265537 /nfs/dbraw/zinc/26/55/37/1037265537.db2.gz JYQYEHABMODZBY-JXFKEZNVSA-N 1 2 341.426 3.687 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000491344085 1037402942 /nfs/dbraw/zinc/40/29/42/1037402942.db2.gz WEJRYFPKQQGHEN-UHFFFAOYSA-N 1 2 342.830 3.744 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000491344085 1037402968 /nfs/dbraw/zinc/40/29/68/1037402968.db2.gz WEJRYFPKQQGHEN-UHFFFAOYSA-N 1 2 342.830 3.744 20 30 EHEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)c(C#N)c1C ZINC000271836218 1037432785 /nfs/dbraw/zinc/43/27/85/1037432785.db2.gz XUPPHIZHBKHKJF-QWRGUYRKSA-N 1 2 347.365 3.724 20 30 EHEDLO C=CCCC(C)(C)CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000913648888 1037460750 /nfs/dbraw/zinc/46/07/50/1037460750.db2.gz RCCCYRRTUUIQJP-UHFFFAOYSA-N 1 2 340.471 3.717 20 30 EHEDLO C#C[C@@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000491679523 1037619112 /nfs/dbraw/zinc/61/91/12/1037619112.db2.gz FZTZBSSCPFOILW-HNNXBMFYSA-N 1 2 327.453 3.638 20 30 EHEDLO CCOC(=O)c1sc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nc1C ZINC000151782571 1037649948 /nfs/dbraw/zinc/64/99/48/1037649948.db2.gz XEISCIROJDLXFW-WCQYABFASA-N 1 2 343.452 3.912 20 30 EHEDLO COc1ccc(C([NH2+]C[C@@H](C#N)CCC#N)c2ccc(OC)cc2)cc1 ZINC000030536305 1037974628 /nfs/dbraw/zinc/97/46/28/1037974628.db2.gz BMZUUJHUACNNEM-MRXNPFEDSA-N 1 2 349.434 3.826 20 30 EHEDLO C[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1cccc(C#N)c1 ZINC000190172753 1038688178 /nfs/dbraw/zinc/68/81/78/1038688178.db2.gz LMVYHNKGSZAHMM-UHFFFAOYSA-N 1 2 338.361 3.654 20 30 EHEDLO C[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)Cc1cccc(C#N)c1 ZINC000190172753 1038688182 /nfs/dbraw/zinc/68/81/82/1038688182.db2.gz LMVYHNKGSZAHMM-UHFFFAOYSA-N 1 2 338.361 3.654 20 30 EHEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)c(F)c1OC ZINC000905411138 1038866962 /nfs/dbraw/zinc/86/69/62/1038866962.db2.gz GPRDIPYLXAIOEP-UHFFFAOYSA-N 1 2 345.374 3.533 20 30 EHEDLO COc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2Br)c1 ZINC000480684471 1039906844 /nfs/dbraw/zinc/90/68/44/1039906844.db2.gz YJBYCUSXOMNKAX-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)c1 ZINC000480684471 1039906854 /nfs/dbraw/zinc/90/68/54/1039906854.db2.gz YJBYCUSXOMNKAX-UHFFFAOYSA-N 1 2 345.240 3.961 20 30 EHEDLO Cc1noc2ncc(C[N@@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc12 ZINC000894083127 1040042431 /nfs/dbraw/zinc/04/24/31/1040042431.db2.gz AKESMITVPWWZOB-RBUKOAKNSA-N 1 2 332.407 3.803 20 30 EHEDLO Cc1noc2ncc(C[N@H+]3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc12 ZINC000894083127 1040042450 /nfs/dbraw/zinc/04/24/50/1040042450.db2.gz AKESMITVPWWZOB-RBUKOAKNSA-N 1 2 332.407 3.803 20 30 EHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000660299135 1040290010 /nfs/dbraw/zinc/29/00/10/1040290010.db2.gz XYCBWQIAAAIDSQ-MSOLQXFVSA-N 1 2 342.487 3.616 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1OC ZINC000614160035 1040305550 /nfs/dbraw/zinc/30/55/50/1040305550.db2.gz KWPBNVHTLVHWTJ-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1OC ZINC000614160035 1040305566 /nfs/dbraw/zinc/30/55/66/1040305566.db2.gz KWPBNVHTLVHWTJ-UHFFFAOYSA-N 1 2 330.815 3.861 20 30 EHEDLO C=CC[N@H+](Cc1cc(C(F)(F)F)nn1C)Cc1ccc(OC)cc1 ZINC000667534596 1040518128 /nfs/dbraw/zinc/51/81/28/1040518128.db2.gz GBIVGPSEXGHPFY-UHFFFAOYSA-N 1 2 339.361 3.636 20 30 EHEDLO C=CC[N@@H+](Cc1cc(C(F)(F)F)nn1C)Cc1ccc(OC)cc1 ZINC000667534596 1040518145 /nfs/dbraw/zinc/51/81/45/1040518145.db2.gz GBIVGPSEXGHPFY-UHFFFAOYSA-N 1 2 339.361 3.636 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)C[C@H](C)C#N)o2)cc1 ZINC000614231914 1040768735 /nfs/dbraw/zinc/76/87/35/1040768735.db2.gz WJRUGCLYPOUFPU-CQSZACIVSA-N 1 2 326.396 3.715 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)C[C@H](C)C#N)o2)cc1 ZINC000614231914 1040768751 /nfs/dbraw/zinc/76/87/51/1040768751.db2.gz WJRUGCLYPOUFPU-CQSZACIVSA-N 1 2 326.396 3.715 20 30 EHEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000598947518 1042495041 /nfs/dbraw/zinc/49/50/41/1042495041.db2.gz CSCARFRRHCUMCE-OAHLLOKOSA-N 1 2 333.435 3.831 20 30 EHEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000598947518 1042495045 /nfs/dbraw/zinc/49/50/45/1042495045.db2.gz CSCARFRRHCUMCE-OAHLLOKOSA-N 1 2 333.435 3.831 20 30 EHEDLO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000344086330 1043226037 /nfs/dbraw/zinc/22/60/37/1043226037.db2.gz BSOSFVPFEKBROQ-AUUYWEPGSA-N 1 2 334.398 3.871 20 30 EHEDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1OC ZINC000183501942 1125580148 /nfs/dbraw/zinc/58/01/48/1125580148.db2.gz RJXYDRRRKYWNCN-LLVKDONJSA-N 1 2 332.350 3.704 20 30 EHEDLO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000154637985 1125739512 /nfs/dbraw/zinc/73/95/12/1125739512.db2.gz RUZVPIARYTZQHC-QFIPXVFZSA-N 1 2 331.868 3.561 20 30 EHEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccc([S@@](C)=O)cc1 ZINC000154637985 1125739516 /nfs/dbraw/zinc/73/95/16/1125739516.db2.gz RUZVPIARYTZQHC-QFIPXVFZSA-N 1 2 331.868 3.561 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184988420 1126729393 /nfs/dbraw/zinc/72/93/93/1126729393.db2.gz LAPUKPROAGXRKO-GOEBONIOSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184988420 1126729396 /nfs/dbraw/zinc/72/93/96/1126729396.db2.gz LAPUKPROAGXRKO-GOEBONIOSA-N 1 2 343.500 3.740 20 30 EHEDLO C[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1cccc(C#N)c1 ZINC000130877419 1128522506 /nfs/dbraw/zinc/52/25/06/1128522506.db2.gz CIJMQBKWUMLFHL-UHFFFAOYSA-N 1 2 338.361 3.654 20 30 EHEDLO C[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1cccc(C#N)c1 ZINC000130877419 1128522511 /nfs/dbraw/zinc/52/25/11/1128522511.db2.gz CIJMQBKWUMLFHL-UHFFFAOYSA-N 1 2 338.361 3.654 20 30 EHEDLO N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301783961 1128605946 /nfs/dbraw/zinc/60/59/46/1128605946.db2.gz USVJKUYSDFCLAZ-AWEZNQCLSA-N 1 2 332.329 3.663 20 30 EHEDLO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1C ZINC000075713614 1128877093 /nfs/dbraw/zinc/87/70/93/1128877093.db2.gz KUUMHEWELQCNEY-UHFFFAOYSA-N 1 2 348.406 3.557 20 30 EHEDLO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1C ZINC000075713614 1128877098 /nfs/dbraw/zinc/87/70/98/1128877098.db2.gz KUUMHEWELQCNEY-UHFFFAOYSA-N 1 2 348.406 3.557 20 30 EHEDLO CC(C)Oc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761761006 1120889222 /nfs/dbraw/zinc/88/92/22/1120889222.db2.gz YHZQBAQJIWOCQH-OAQYLSRUSA-N 1 2 336.435 3.919 20 30 EHEDLO CC(C)Oc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761761006 1120889228 /nfs/dbraw/zinc/88/92/28/1120889228.db2.gz YHZQBAQJIWOCQH-OAQYLSRUSA-N 1 2 336.435 3.919 20 30 EHEDLO C=CC[N@H+](Cc1ccccc1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000914570645 1120903494 /nfs/dbraw/zinc/90/34/94/1120903494.db2.gz ZTMJGHDQRFGDGY-UHFFFAOYSA-N 1 2 328.799 3.894 20 30 EHEDLO C=CC[N@@H+](Cc1ccccc1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000914570645 1120903498 /nfs/dbraw/zinc/90/34/98/1120903498.db2.gz ZTMJGHDQRFGDGY-UHFFFAOYSA-N 1 2 328.799 3.894 20 30 EHEDLO Cc1cc(F)ccc1C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000487959085 1121361478 /nfs/dbraw/zinc/36/14/78/1121361478.db2.gz PZAPEKRKYRQQBE-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000487959085 1121361488 /nfs/dbraw/zinc/36/14/88/1121361488.db2.gz PZAPEKRKYRQQBE-UHFFFAOYSA-N 1 2 336.370 3.688 20 30 EHEDLO C=CCc1cc(OC)ccc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916372384 1122133927 /nfs/dbraw/zinc/13/39/27/1122133927.db2.gz ZMEZHQSRTFURBM-UHFFFAOYSA-N 1 2 348.402 3.888 20 30 EHEDLO C=CCN(C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(C)C ZINC000916706766 1122326401 /nfs/dbraw/zinc/32/64/01/1122326401.db2.gz BYFSABYAHLMNNM-CQSZACIVSA-N 1 2 336.505 3.803 20 30 EHEDLO C=CCN(C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(C)C ZINC000916706766 1122326405 /nfs/dbraw/zinc/32/64/05/1122326405.db2.gz BYFSABYAHLMNNM-CQSZACIVSA-N 1 2 336.505 3.803 20 30 EHEDLO CC(=[NH+]Nc1[nH]cnc2ncnc1-2)c1ccc(N2CCCCCC2)cc1 ZINC000917555508 1122636309 /nfs/dbraw/zinc/63/63/09/1122636309.db2.gz SVLOJPHDPFDWGE-UHFFFAOYSA-N 1 2 349.442 3.569 20 30 EHEDLO COc1cccc(/C=[NH+]\CCCCOCCc2ccccc2)c1O ZINC000917557148 1122637076 /nfs/dbraw/zinc/63/70/76/1122637076.db2.gz ZEDHXCMMZDCYEK-PGMHBOJBSA-N 1 2 327.424 3.859 20 30 EHEDLO CCOc1cccc(/C=N\Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1O ZINC000920387544 1123363632 /nfs/dbraw/zinc/36/36/32/1123363632.db2.gz RIALHESERXJKEN-UUYOSTAYSA-N 1 2 339.370 3.735 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000075655546 1123410504 /nfs/dbraw/zinc/41/05/04/1123410504.db2.gz MKRDKWWKUQUPOM-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000075655546 1123410507 /nfs/dbraw/zinc/41/05/07/1123410507.db2.gz MKRDKWWKUQUPOM-UHFFFAOYSA-N 1 2 339.826 3.838 20 30 EHEDLO C#CCOc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000920957276 1123442553 /nfs/dbraw/zinc/44/25/53/1123442553.db2.gz XEKJLHQJIHKOED-QFIPXVFZSA-N 1 2 328.415 3.973 20 30 EHEDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1OCC#N ZINC000735308633 1131333927 /nfs/dbraw/zinc/33/39/27/1131333927.db2.gz MAKODFQTCSSAAX-UHFFFAOYSA-N 1 2 345.786 3.783 20 30 EHEDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cc(Cl)ccc1OCC#N ZINC000735308633 1131333932 /nfs/dbraw/zinc/33/39/32/1131333932.db2.gz MAKODFQTCSSAAX-UHFFFAOYSA-N 1 2 345.786 3.783 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000353957609 1129928592 /nfs/dbraw/zinc/92/85/92/1129928592.db2.gz QTXJWDMSPMKKPN-SJORKVTESA-N 1 2 348.372 3.717 20 30 EHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000353957609 1129928593 /nfs/dbraw/zinc/92/85/93/1129928593.db2.gz QTXJWDMSPMKKPN-SJORKVTESA-N 1 2 348.372 3.717 20 30 EHEDLO C[C@H](NC(=O)/C=C/c1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173935667 1130325612 /nfs/dbraw/zinc/32/56/12/1130325612.db2.gz RSSJFTKNZZFVML-FDMDGMSGSA-N 1 2 342.402 3.635 20 30 EHEDLO C[C@@H]1CCCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734001368 1131181102 /nfs/dbraw/zinc/18/11/02/1131181102.db2.gz CDMHIKWGOLZLRY-KGLIPLIRSA-N 1 2 327.453 3.737 20 30 EHEDLO C[C@@H]1CCCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734001368 1131181103 /nfs/dbraw/zinc/18/11/03/1131181103.db2.gz CDMHIKWGOLZLRY-KGLIPLIRSA-N 1 2 327.453 3.737 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)OCCCC#N)c1cccc(C(F)(F)F)c1 ZINC000741025203 1131571270 /nfs/dbraw/zinc/57/12/70/1131571270.db2.gz DYDOAHCSTHRBLG-HNNXBMFYSA-N 1 2 342.361 3.935 20 30 EHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172559181 1131770780 /nfs/dbraw/zinc/77/07/80/1131770780.db2.gz YCUAXYYCPHYHRM-NJDAHSKKSA-N 1 2 348.446 3.568 20 30 EHEDLO C#CC[N@@H+](CN1C(=O)[C@H](C)[C@@H]1c1ccccc1)[C@H]1CCc2ccccc21 ZINC000743353358 1131898623 /nfs/dbraw/zinc/89/86/23/1131898623.db2.gz WPULZLKBPKPHAI-VOQZNFBZSA-N 1 2 344.458 3.786 20 30 EHEDLO C#CC[N@H+](CN1C(=O)[C@H](C)[C@@H]1c1ccccc1)[C@H]1CCc2ccccc21 ZINC000743353358 1131898628 /nfs/dbraw/zinc/89/86/28/1131898628.db2.gz WPULZLKBPKPHAI-VOQZNFBZSA-N 1 2 344.458 3.786 20 30 EHEDLO C=CCOC1CCC([N@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173326290 1132047863 /nfs/dbraw/zinc/04/78/63/1132047863.db2.gz YCXKQXCQKDXSFY-ABHNRTSZSA-N 1 2 342.474 3.696 20 30 EHEDLO C=CCOC1CCC([N@@H+]2CC[C@H](N3CCCCC3)C(F)(F)C2)CC1 ZINC001173326290 1132047870 /nfs/dbraw/zinc/04/78/70/1132047870.db2.gz YCXKQXCQKDXSFY-ABHNRTSZSA-N 1 2 342.474 3.696 20 30 EHEDLO C=CCOC1CCC(N2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)CC1 ZINC001173326290 1132047875 /nfs/dbraw/zinc/04/78/75/1132047875.db2.gz YCXKQXCQKDXSFY-ABHNRTSZSA-N 1 2 342.474 3.696 20 30 EHEDLO CNC(=O)c1cc(C#N)cc(C)c1Nc1ccc2c(c1)[nH+]cn2C(C)C ZINC001174384476 1132344731 /nfs/dbraw/zinc/34/47/31/1132344731.db2.gz GXKDHEBVHMRZPM-UHFFFAOYSA-N 1 2 347.422 3.901 20 30 EHEDLO C=C(C)Nc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001174794032 1132467079 /nfs/dbraw/zinc/46/70/79/1132467079.db2.gz WLRUGDBSRQKRNA-UHFFFAOYSA-N 1 2 331.460 3.685 20 30 EHEDLO N#Cc1cc(Nc2cc(Br)cn3cc[nH+]c23)ccc1F ZINC001176614174 1132972107 /nfs/dbraw/zinc/97/21/07/1132972107.db2.gz XYBYORLNIYAQKD-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO C#CC[N@@H+](Cc1c(C)nc2sc(C)nn12)[C@H]1CCc2ccccc21 ZINC000768129048 1133099278 /nfs/dbraw/zinc/09/92/78/1133099278.db2.gz DMODBMQHWJIOLG-KRWDZBQOSA-N 1 2 336.464 3.530 20 30 EHEDLO C#CC[N@H+](Cc1c(C)nc2sc(C)nn12)[C@H]1CCc2ccccc21 ZINC000768129048 1133099284 /nfs/dbraw/zinc/09/92/84/1133099284.db2.gz DMODBMQHWJIOLG-KRWDZBQOSA-N 1 2 336.464 3.530 20 30 EHEDLO C=CCCCC[C@@H](C)Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1 ZINC001181947430 1133554808 /nfs/dbraw/zinc/55/48/08/1133554808.db2.gz ZGIQWDBCRMVXPL-MRXNPFEDSA-N 1 2 346.475 3.517 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1Cl ZINC001182223395 1133599138 /nfs/dbraw/zinc/59/91/38/1133599138.db2.gz JYBTUKWHJAUWRJ-INIZCTEOSA-N 1 2 333.863 3.533 20 30 EHEDLO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000772347285 1133677309 /nfs/dbraw/zinc/67/73/09/1133677309.db2.gz QGCJKAKIKQHRDC-BFHYXJOUSA-N 1 2 327.453 3.735 20 30 EHEDLO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000772347285 1133677313 /nfs/dbraw/zinc/67/73/13/1133677313.db2.gz QGCJKAKIKQHRDC-BFHYXJOUSA-N 1 2 327.453 3.735 20 30 EHEDLO CCCCCCCCC/C=C\C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001170101792 1134255504 /nfs/dbraw/zinc/25/55/04/1134255504.db2.gz MAHHWPJMVZCHOQ-JZHDPFOFSA-N 1 2 346.519 3.590 20 30 EHEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001273537726 1134322225 /nfs/dbraw/zinc/32/22/25/1134322225.db2.gz YQZDZTAIAISQJT-UHFFFAOYSA-N 1 2 330.391 3.733 20 30 EHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(OC)ccc3ccccc32)n1 ZINC000789759094 1134328112 /nfs/dbraw/zinc/32/81/12/1134328112.db2.gz OHXMCDWCNPULBE-UHFFFAOYSA-N 1 2 333.435 3.700 20 30 EHEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(OC)ccc3ccccc32)n1 ZINC000789759094 1134328118 /nfs/dbraw/zinc/32/81/18/1134328118.db2.gz OHXMCDWCNPULBE-UHFFFAOYSA-N 1 2 333.435 3.700 20 30 EHEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCCO1 ZINC000775346057 1134656555 /nfs/dbraw/zinc/65/65/55/1134656555.db2.gz SYPCJRYQINRICK-HOTGVXAUSA-N 1 2 332.856 3.734 20 30 EHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1oc(C(C)(C)C)nc1C#N ZINC000792635190 1134760094 /nfs/dbraw/zinc/76/00/94/1134760094.db2.gz BQHOFZUMSRLKNV-UHFFFAOYSA-N 1 2 337.427 3.647 20 30 EHEDLO CCCCCCCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001191069435 1134786097 /nfs/dbraw/zinc/78/60/97/1134786097.db2.gz LANWCAARLNQXMU-INIZCTEOSA-N 1 2 345.478 3.862 20 30 EHEDLO C=CC[NH+]1CCN(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001192024634 1134957961 /nfs/dbraw/zinc/95/79/61/1134957961.db2.gz NQEIHVBEMFZKBP-UHFFFAOYSA-N 1 2 348.661 3.982 20 30 EHEDLO COC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1F ZINC000806146853 1135400949 /nfs/dbraw/zinc/40/09/49/1135400949.db2.gz DHTSRKSUEWQJRD-MRXNPFEDSA-N 1 2 336.769 3.967 20 30 EHEDLO C#Cc1cncc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000807423372 1135544677 /nfs/dbraw/zinc/54/46/77/1135544677.db2.gz NFKLPPUVLCNXSW-UHFFFAOYSA-N 1 2 342.402 3.515 20 30 EHEDLO CCc1cc(C(=O)N(C)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC001197282298 1135673094 /nfs/dbraw/zinc/67/30/94/1135673094.db2.gz PWPWMOSLFOMNCN-UHFFFAOYSA-N 1 2 344.418 3.579 20 30 EHEDLO CCCCCC[C@@H](CC)[NH2+][C@@H](Cc1ccc(C#N)cc1)C(=O)OC ZINC001170591239 1135904487 /nfs/dbraw/zinc/90/44/87/1135904487.db2.gz BAVHZHNMTJFJPC-MOPGFXCFSA-N 1 2 330.472 3.981 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@H](C#N)c2nccc3ccccc32)C1 ZINC000810715908 1135996187 /nfs/dbraw/zinc/99/61/87/1135996187.db2.gz CNDCXCWZFNAVSE-OXQOHEQNSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@H](C#N)c2nccc3ccccc32)C1 ZINC000810715908 1135996189 /nfs/dbraw/zinc/99/61/89/1135996189.db2.gz CNDCXCWZFNAVSE-OXQOHEQNSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)C(C#N)c2nccc3ccccc32)C1 ZINC000810715908 1135996191 /nfs/dbraw/zinc/99/61/91/1135996191.db2.gz CNDCXCWZFNAVSE-OXQOHEQNSA-N 1 2 339.414 3.624 20 30 EHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)C(C#N)c2nccc3ccccc32)C1 ZINC000810715908 1135996193 /nfs/dbraw/zinc/99/61/93/1135996193.db2.gz CNDCXCWZFNAVSE-OXQOHEQNSA-N 1 2 339.414 3.624 20 30 EHEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000812350839 1136197279 /nfs/dbraw/zinc/19/72/79/1136197279.db2.gz CHPRMVKLGFOCAG-GOSISDBHSA-N 1 2 335.794 3.630 20 30 EHEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000852097199 1136433205 /nfs/dbraw/zinc/43/32/05/1136433205.db2.gz MVYUKADRRSZQEL-LJQANCHMSA-N 1 2 336.395 3.592 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000852325944 1136448864 /nfs/dbraw/zinc/44/88/64/1136448864.db2.gz KVNYOXGSOFDWOC-NRFANRHFSA-N 1 2 346.409 3.826 20 30 EHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000852325944 1136448867 /nfs/dbraw/zinc/44/88/67/1136448867.db2.gz KVNYOXGSOFDWOC-NRFANRHFSA-N 1 2 346.409 3.826 20 30 EHEDLO C=CC1CC[NH+](Cn2nc(C)n(Cc3ccccc3)c2=S)CC1 ZINC000111166760 1136518290 /nfs/dbraw/zinc/51/82/90/1136518290.db2.gz QMTXGTFHASKGJY-UHFFFAOYSA-N 1 2 328.485 3.626 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1ccccc1Cl ZINC000853367967 1136528161 /nfs/dbraw/zinc/52/81/61/1136528161.db2.gz XGVAIOZPAWICQM-MRXNPFEDSA-N 1 2 330.815 3.673 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(-c2ccoc2C)n(C)c1=S ZINC000853598731 1136547872 /nfs/dbraw/zinc/54/78/72/1136547872.db2.gz VIXTWGDDVAKQGN-OKILXGFUSA-N 1 2 330.457 3.660 20 30 EHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(-c2ccoc2C)n(C)c1=S ZINC000853598731 1136547875 /nfs/dbraw/zinc/54/78/75/1136547875.db2.gz VIXTWGDDVAKQGN-OKILXGFUSA-N 1 2 330.457 3.660 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+](C)C[C@H]2CCc3ccccc32)c1=S ZINC000853609391 1136548987 /nfs/dbraw/zinc/54/89/87/1136548987.db2.gz FLNNINVWPPRZOW-MRXNPFEDSA-N 1 2 328.485 3.528 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+](C)C[C@H]2CCc3ccccc32)c1=S ZINC000853609391 1136548989 /nfs/dbraw/zinc/54/89/89/1136548989.db2.gz FLNNINVWPPRZOW-MRXNPFEDSA-N 1 2 328.485 3.528 20 30 EHEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)c1 ZINC001137654399 1136714173 /nfs/dbraw/zinc/71/41/73/1136714173.db2.gz PBQGOUHZYITAAR-UHFFFAOYSA-N 1 2 329.806 3.673 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(C(F)(F)F)nc1Cl ZINC000856778065 1136810629 /nfs/dbraw/zinc/81/06/29/1136810629.db2.gz JWAZMCZYWBQEBH-VIFPVBQESA-N 1 2 340.736 3.871 20 30 EHEDLO CCCCCCCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000859334362 1137011851 /nfs/dbraw/zinc/01/18/51/1137011851.db2.gz NCGLIMDHGHQGBS-IBGZPJMESA-N 1 2 329.492 3.841 20 30 EHEDLO CCCCCCCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccnn1C ZINC000859334362 1137011852 /nfs/dbraw/zinc/01/18/52/1137011852.db2.gz NCGLIMDHGHQGBS-IBGZPJMESA-N 1 2 329.492 3.841 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000860107700 1137044607 /nfs/dbraw/zinc/04/46/07/1137044607.db2.gz LMYPUPDXSSGVQN-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000860107700 1137044608 /nfs/dbraw/zinc/04/46/08/1137044608.db2.gz LMYPUPDXSSGVQN-UHFFFAOYSA-N 1 2 341.798 3.873 20 30 EHEDLO CC[N@H+](Cc1cn(C)nc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000862224110 1137133130 /nfs/dbraw/zinc/13/31/30/1137133130.db2.gz UKRSSIUPTHNREV-GFCCVEGCSA-N 1 2 347.260 3.637 20 30 EHEDLO CC[N@@H+](Cc1cn(C)nc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000862224110 1137133131 /nfs/dbraw/zinc/13/31/31/1137133131.db2.gz UKRSSIUPTHNREV-GFCCVEGCSA-N 1 2 347.260 3.637 20 30 EHEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)nccc2NC(=O)OC(C)(C)C)C1 ZINC001136899342 1137143124 /nfs/dbraw/zinc/14/31/24/1137143124.db2.gz VOBOZEJIQVZRIN-CYBMUJFWSA-N 1 2 349.862 3.927 20 30 EHEDLO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)nccc2NC(=O)OC(C)(C)C)C1 ZINC001136899342 1137143125 /nfs/dbraw/zinc/14/31/25/1137143125.db2.gz VOBOZEJIQVZRIN-CYBMUJFWSA-N 1 2 349.862 3.927 20 30 EHEDLO Cc1cccnc1O[C@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143732011 1137194902 /nfs/dbraw/zinc/19/49/02/1137194902.db2.gz LRBIUTMQNPXWPI-INIZCTEOSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143732011 1137194904 /nfs/dbraw/zinc/19/49/04/1137194904.db2.gz LRBIUTMQNPXWPI-INIZCTEOSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](Cc3cncc(C#N)c3)C2)c1 ZINC001144080137 1137237210 /nfs/dbraw/zinc/23/72/10/1137237210.db2.gz WJVBTHWHSYAQCT-QGZVFWFLSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1ccc(Cl)c(O[C@@H]2CCC[N@@H+](Cc3cncc(C#N)c3)C2)c1 ZINC001144080137 1137237212 /nfs/dbraw/zinc/23/72/12/1137237212.db2.gz WJVBTHWHSYAQCT-QGZVFWFLSA-N 1 2 341.842 3.959 20 30 EHEDLO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144381990 1137281808 /nfs/dbraw/zinc/28/18/08/1137281808.db2.gz RQCOBLQCOYWGSO-UHFFFAOYSA-N 1 2 332.325 3.841 20 30 EHEDLO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)CC2 ZINC001144381990 1137281810 /nfs/dbraw/zinc/28/18/10/1137281810.db2.gz RQCOBLQCOYWGSO-UHFFFAOYSA-N 1 2 332.325 3.841 20 30 EHEDLO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001144520983 1137302975 /nfs/dbraw/zinc/30/29/75/1137302975.db2.gz JUNSOQCRVLTJRG-LLVKDONJSA-N 1 2 330.247 3.824 20 30 EHEDLO FC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001144520983 1137302976 /nfs/dbraw/zinc/30/29/76/1137302976.db2.gz JUNSOQCRVLTJRG-LLVKDONJSA-N 1 2 330.247 3.824 20 30 EHEDLO CCCCCCCCCS(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000845895559 1137318832 /nfs/dbraw/zinc/31/88/32/1137318832.db2.gz HNCHDLMNMXADBT-INIZCTEOSA-N 1 2 341.521 3.670 20 30 EHEDLO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1cccc(C#N)c1O ZINC000866217017 1137335895 /nfs/dbraw/zinc/33/58/95/1137335895.db2.gz JKOAMZCNGWGHOV-CRAIPNDOSA-N 1 2 339.439 3.735 20 30 EHEDLO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC(F)F ZINC000866223380 1137336321 /nfs/dbraw/zinc/33/63/21/1137336321.db2.gz DFPPRZPEZPMJFC-NSHDSACASA-N 1 2 348.349 3.725 20 30 EHEDLO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1cccc(C#N)c1O ZINC000866309765 1137344298 /nfs/dbraw/zinc/34/42/98/1137344298.db2.gz BMKCXCRZBSNGML-LBPRGKRZSA-N 1 2 329.469 3.911 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866336776 1137347002 /nfs/dbraw/zinc/34/70/02/1137347002.db2.gz MGHZJHCARQWYPX-SJCJKPOMSA-N 1 2 326.371 3.967 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1O ZINC000866404024 1137352138 /nfs/dbraw/zinc/35/21/38/1137352138.db2.gz NQQHSAMEAYSZLD-JVMOKEISSA-N 1 2 344.361 3.723 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869102733 1137436925 /nfs/dbraw/zinc/43/69/25/1137436925.db2.gz FJPJQKCALSFPCX-SFHVURJKSA-N 1 2 341.480 3.632 20 30 EHEDLO C=CCN(Cc1cccs1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869102733 1137436926 /nfs/dbraw/zinc/43/69/26/1137436926.db2.gz FJPJQKCALSFPCX-SFHVURJKSA-N 1 2 341.480 3.632 20 30 EHEDLO N#CCC1CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC000877191459 1137672581 /nfs/dbraw/zinc/67/25/81/1137672581.db2.gz VZKSKDBDWDKLRY-UHFFFAOYSA-N 1 2 328.641 3.623 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877517572 1137679370 /nfs/dbraw/zinc/67/93/70/1137679370.db2.gz NWNLITFJEZCDMO-UHFFFAOYSA-N 1 2 340.427 3.889 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc2c(cc[nH]c2=O)o1 ZINC000877517572 1137679371 /nfs/dbraw/zinc/67/93/71/1137679371.db2.gz NWNLITFJEZCDMO-UHFFFAOYSA-N 1 2 340.427 3.889 20 30 EHEDLO C[N@H+](CCc1cccc(C#N)c1)Cc1c(F)cncc1Br ZINC000877704492 1137686497 /nfs/dbraw/zinc/68/64/97/1137686497.db2.gz JKMUASWDWRINMB-UHFFFAOYSA-N 1 2 348.219 3.529 20 30 EHEDLO C[N@@H+](CCc1cccc(C#N)c1)Cc1c(F)cncc1Br ZINC000877704492 1137686498 /nfs/dbraw/zinc/68/64/98/1137686498.db2.gz JKMUASWDWRINMB-UHFFFAOYSA-N 1 2 348.219 3.529 20 30 EHEDLO COc1c(C)c[nH+]c(CN[C@H](c2cccc(C#N)c2)C(F)(F)F)c1C ZINC000879783855 1137758668 /nfs/dbraw/zinc/75/86/68/1137758668.db2.gz UQQJQHLEGMQMFA-QGZVFWFLSA-N 1 2 349.356 3.972 20 30 EHEDLO C=CCCC[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000883143236 1137846247 /nfs/dbraw/zinc/84/62/47/1137846247.db2.gz FILDLLOFMQITOJ-WMZOPIPTSA-N 1 2 326.444 3.668 20 30 EHEDLO C=CCN(Cc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000337144536 1138478684 /nfs/dbraw/zinc/47/86/84/1138478684.db2.gz WQQIPJXEXCUMHE-UHFFFAOYSA-N 1 2 331.419 3.760 20 30 EHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000134102815 1138672704 /nfs/dbraw/zinc/67/27/04/1138672704.db2.gz YOIZXZLLMVSQDK-SCLBCKFNSA-N 1 2 349.413 3.838 20 30 EHEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1C#N ZINC000135149860 1138729284 /nfs/dbraw/zinc/72/92/84/1138729284.db2.gz NPBPHUQDYNFROH-FZKQIMNGSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc1C#N ZINC000135149860 1138729286 /nfs/dbraw/zinc/72/92/86/1138729286.db2.gz NPBPHUQDYNFROH-FZKQIMNGSA-N 1 2 328.437 3.590 20 30 EHEDLO C=CCOc1ccc(C[N@@H+](Cc2nc(COC)no2)C(C)(C)C)cc1 ZINC000182465631 1139974048 /nfs/dbraw/zinc/97/40/48/1139974048.db2.gz MKTRKLNFKXTEDZ-UHFFFAOYSA-N 1 2 345.443 3.582 20 30 EHEDLO C=CCOc1ccc(C[N@H+](Cc2nc(COC)no2)C(C)(C)C)cc1 ZINC000182465631 1139974050 /nfs/dbraw/zinc/97/40/50/1139974050.db2.gz MKTRKLNFKXTEDZ-UHFFFAOYSA-N 1 2 345.443 3.582 20 30 EHEDLO COc1ccc(C[C@H](C)C[N@H+](CCC#N)Cc2cccnc2)cc1F ZINC000186591138 1140212348 /nfs/dbraw/zinc/21/23/48/1140212348.db2.gz JGFVSVZJELUIDO-INIZCTEOSA-N 1 2 341.430 3.824 20 30 EHEDLO COc1ccc(C[C@H](C)C[N@@H+](CCC#N)Cc2cccnc2)cc1F ZINC000186591138 1140212352 /nfs/dbraw/zinc/21/23/52/1140212352.db2.gz JGFVSVZJELUIDO-INIZCTEOSA-N 1 2 341.430 3.824 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000187379270 1140252866 /nfs/dbraw/zinc/25/28/66/1140252866.db2.gz OLGUNOBAXKRJKX-AWEZNQCLSA-N 1 2 341.846 3.587 20 30 EHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000187379270 1140252868 /nfs/dbraw/zinc/25/28/68/1140252868.db2.gz OLGUNOBAXKRJKX-AWEZNQCLSA-N 1 2 341.846 3.587 20 30 EHEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000189613532 1140355833 /nfs/dbraw/zinc/35/58/33/1140355833.db2.gz SOOGVKILCTYCKB-GHTZIAJQSA-N 1 2 349.478 3.647 20 30 EHEDLO C=CCC1(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CCC1 ZINC000191904825 1140492750 /nfs/dbraw/zinc/49/27/50/1140492750.db2.gz BMBKWWAYWHQEID-UHFFFAOYSA-N 1 2 328.456 3.512 20 30 EHEDLO C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(C#N)cc1 ZINC000266509896 1140696704 /nfs/dbraw/zinc/69/67/04/1140696704.db2.gz XHQHVTVSDVFEMP-OAGGEKHMSA-N 1 2 336.439 3.740 20 30 EHEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000266967261 1140744484 /nfs/dbraw/zinc/74/44/84/1140744484.db2.gz YQPBODQUKKZUJN-VXGBXAGGSA-N 1 2 329.469 3.538 20 30 EHEDLO C#CC[N@H+](CC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000266967261 1140744490 /nfs/dbraw/zinc/74/44/90/1140744490.db2.gz YQPBODQUKKZUJN-VXGBXAGGSA-N 1 2 329.469 3.538 20 30 EHEDLO C#CC[N@@H+](CC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000266967257 1140744785 /nfs/dbraw/zinc/74/47/85/1140744785.db2.gz YQPBODQUKKZUJN-NWDGAFQWSA-N 1 2 329.469 3.538 20 30 EHEDLO C#CC[N@H+](CC)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000266967257 1140744789 /nfs/dbraw/zinc/74/47/89/1140744789.db2.gz YQPBODQUKKZUJN-NWDGAFQWSA-N 1 2 329.469 3.538 20 30 EHEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCC(F)(F)F ZINC000271148383 1141313934 /nfs/dbraw/zinc/31/39/34/1141313934.db2.gz ZSCDDLWPQNHDDI-GFCCVEGCSA-N 1 2 330.350 3.618 20 30 EHEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCC(F)(F)F ZINC000271148383 1141313942 /nfs/dbraw/zinc/31/39/42/1141313942.db2.gz ZSCDDLWPQNHDDI-GFCCVEGCSA-N 1 2 330.350 3.618 20 30 EHEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000274199489 1141485142 /nfs/dbraw/zinc/48/51/42/1141485142.db2.gz SYEZXDYWNNPGSQ-AWEZNQCLSA-N 1 2 339.464 3.706 20 30 EHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccccc1F ZINC000339223231 1141532572 /nfs/dbraw/zinc/53/25/72/1141532572.db2.gz MSKRCLZWGYRCMA-LFDOHDQPSA-N 1 2 345.462 3.577 20 30 EHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccccc1F ZINC000339223231 1141532576 /nfs/dbraw/zinc/53/25/76/1141532576.db2.gz MSKRCLZWGYRCMA-LFDOHDQPSA-N 1 2 345.462 3.577 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cnc2c(C)cccn12 ZINC000348876886 1141601888 /nfs/dbraw/zinc/60/18/88/1141601888.db2.gz NPSVUUGJTJXXCO-UHFFFAOYSA-N 1 2 337.471 3.998 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cnc2c(C)cccn12 ZINC000348876886 1141601889 /nfs/dbraw/zinc/60/18/89/1141601889.db2.gz NPSVUUGJTJXXCO-UHFFFAOYSA-N 1 2 337.471 3.998 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(CC(C)C)c1)Cc1cnn(C(C)C)c1 ZINC000348879374 1141602487 /nfs/dbraw/zinc/60/24/87/1141602487.db2.gz SPSFZQAXXBDOEB-UHFFFAOYSA-N 1 2 329.492 3.895 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(CC(C)C)c1)Cc1cnn(C(C)C)c1 ZINC000348879374 1141602489 /nfs/dbraw/zinc/60/24/89/1141602489.db2.gz SPSFZQAXXBDOEB-UHFFFAOYSA-N 1 2 329.492 3.895 20 30 EHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000471152922 1014968485 /nfs/dbraw/zinc/96/84/85/1014968485.db2.gz WWTBHKIPUKGHBL-LJQANCHMSA-N 1 2 325.843 3.722 20 30 EHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430219058 1015070230 /nfs/dbraw/zinc/07/02/30/1015070230.db2.gz KPUOXBZCZQNWPP-UHFFFAOYSA-N 1 2 337.379 3.663 20 30 EHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430219058 1015070244 /nfs/dbraw/zinc/07/02/44/1015070244.db2.gz KPUOXBZCZQNWPP-UHFFFAOYSA-N 1 2 337.379 3.663 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1cccs1 ZINC000198428366 1016796960 /nfs/dbraw/zinc/79/69/60/1016796960.db2.gz CPCFNULWGRDORI-UHFFFAOYSA-N 1 2 344.484 3.686 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1cccs1 ZINC000198428366 1016796973 /nfs/dbraw/zinc/79/69/73/1016796973.db2.gz CPCFNULWGRDORI-UHFFFAOYSA-N 1 2 344.484 3.686 20 30 EHEDLO CC(C)C[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)n1cc[nH+]c1 ZINC000602162729 1032677542 /nfs/dbraw/zinc/67/75/42/1032677542.db2.gz DZBPWRFZISEBMT-MOPGFXCFSA-N 1 2 336.439 3.536 20 30 EHEDLO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000015547056 1018755994 /nfs/dbraw/zinc/75/59/94/1018755994.db2.gz OLGFCNVHHVUCPX-INIZCTEOSA-N 1 2 325.437 3.568 20 30 EHEDLO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000015547056 1018756006 /nfs/dbraw/zinc/75/60/06/1018756006.db2.gz OLGFCNVHHVUCPX-INIZCTEOSA-N 1 2 325.437 3.568 20 30 EHEDLO CC(C)c1nnc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000050027768 1018776861 /nfs/dbraw/zinc/77/68/61/1018776861.db2.gz TZHJAMZXIJNINX-CQSZACIVSA-N 1 2 330.457 3.914 20 30 EHEDLO CC(C)c1nnc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000050027768 1018776873 /nfs/dbraw/zinc/77/68/73/1018776873.db2.gz TZHJAMZXIJNINX-CQSZACIVSA-N 1 2 330.457 3.914 20 30 EHEDLO CSc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)s1 ZINC000897595428 1032878875 /nfs/dbraw/zinc/87/88/75/1032878875.db2.gz BKSMNZSZZIMBHY-INIZCTEOSA-N 1 2 330.478 3.915 20 30 EHEDLO CSc1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)s1 ZINC000897595428 1032878881 /nfs/dbraw/zinc/87/88/81/1032878881.db2.gz BKSMNZSZZIMBHY-INIZCTEOSA-N 1 2 330.478 3.915 20 30 EHEDLO C=CCN1C(=O)c2ccccc2N[C@@]12CCC[C@@H](c1[nH+]ccn1C)C2 ZINC000581059105 1020392127 /nfs/dbraw/zinc/39/21/27/1020392127.db2.gz GRXLLNVHRJZBJX-QRWLVFNGSA-N 1 2 336.439 3.528 20 30 EHEDLO CC(C)(C#N)CC[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000345717340 1020470413 /nfs/dbraw/zinc/47/04/13/1020470413.db2.gz UIFNCIKSBJZBDQ-UHFFFAOYSA-N 1 2 347.509 3.660 20 30 EHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000581313335 1020669521 /nfs/dbraw/zinc/66/95/21/1020669521.db2.gz BNGCVTSRKVLZJG-ZIAGYGMSSA-N 1 2 328.441 3.725 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000439442969 1021443919 /nfs/dbraw/zinc/44/39/19/1021443919.db2.gz SQLNGCNXCJXEMS-KRWDZBQOSA-N 1 2 330.815 3.986 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000439442969 1021443923 /nfs/dbraw/zinc/44/39/23/1021443923.db2.gz SQLNGCNXCJXEMS-KRWDZBQOSA-N 1 2 330.815 3.986 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c(Cl)c1 ZINC000516890668 1021821714 /nfs/dbraw/zinc/82/17/14/1021821714.db2.gz KAVZAJFWZGMIPX-UHFFFAOYSA-N 1 2 326.783 3.585 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c(Cl)c1 ZINC000516890668 1021821736 /nfs/dbraw/zinc/82/17/36/1021821736.db2.gz KAVZAJFWZGMIPX-UHFFFAOYSA-N 1 2 326.783 3.585 20 30 EHEDLO NC(Cc1ccccc1)=[NH+]OCc1ncc(-c2cccc(F)c2)o1 ZINC000085260774 1022411949 /nfs/dbraw/zinc/41/19/49/1022411949.db2.gz MJNZEYPSMRBKSX-UHFFFAOYSA-N 1 2 325.343 3.512 20 30 EHEDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000610566360 1022477121 /nfs/dbraw/zinc/47/71/21/1022477121.db2.gz SFQMHGFQCCQZGO-YWZLYKJASA-N 1 2 341.405 3.908 20 30 EHEDLO Cc1nn(C)c(C)c1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000328750844 1022480974 /nfs/dbraw/zinc/48/09/74/1022480974.db2.gz CFTHTAHUOVOZOK-UHFFFAOYSA-N 1 2 349.438 3.873 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1coc(C2CCCC2)n1 ZINC000328785639 1022500208 /nfs/dbraw/zinc/50/02/08/1022500208.db2.gz IVIOPSCZDANZEF-UHFFFAOYSA-N 1 2 340.427 3.832 20 30 EHEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000328866300 1022521204 /nfs/dbraw/zinc/52/12/04/1022521204.db2.gz NTEASNMOGINWIR-LLVKDONJSA-N 1 2 347.381 3.773 20 30 EHEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000328866300 1022521214 /nfs/dbraw/zinc/52/12/14/1022521214.db2.gz NTEASNMOGINWIR-LLVKDONJSA-N 1 2 347.381 3.773 20 30 EHEDLO CC(C)Cn1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c(C(F)F)n1 ZINC000328903818 1022522228 /nfs/dbraw/zinc/52/22/28/1022522228.db2.gz IKQYKNSWFBNWEQ-NSHDSACASA-N 1 2 337.374 3.524 20 30 EHEDLO C=C(C)C(C)(C)c1nc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000664998351 1022602840 /nfs/dbraw/zinc/60/28/40/1022602840.db2.gz BMUQKTULOLXWLU-NVXWUHKLSA-N 1 2 341.455 3.885 20 30 EHEDLO C=C(C)C(C)(C)c1nc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000664998351 1022602847 /nfs/dbraw/zinc/60/28/47/1022602847.db2.gz BMUQKTULOLXWLU-NVXWUHKLSA-N 1 2 341.455 3.885 20 30 EHEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1cccc(Cl)c1Cl ZINC000330868288 1022690080 /nfs/dbraw/zinc/69/00/80/1022690080.db2.gz YOFKIBQPUVHKSR-NHCYSSNCSA-N 1 2 326.227 3.602 20 30 EHEDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000331320215 1022786812 /nfs/dbraw/zinc/78/68/12/1022786812.db2.gz DWSBTFMFBZMIEG-PKFCDNJMSA-N 1 2 326.227 3.602 20 30 EHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cccc(C#N)c2)c(C)c1 ZINC000441491724 1023221984 /nfs/dbraw/zinc/22/19/84/1023221984.db2.gz PANMVIJDZCSESX-HXUWFJFHSA-N 1 2 344.418 3.543 20 30 EHEDLO C[C@@H](c1ccccc1Cl)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000054175675 1023286646 /nfs/dbraw/zinc/28/66/46/1023286646.db2.gz CBWQCQLHQHEYAR-DJJJIMSYSA-N 1 2 345.874 3.674 20 30 EHEDLO C[C@@H](c1ccccc1Cl)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000054175675 1023286654 /nfs/dbraw/zinc/28/66/54/1023286654.db2.gz CBWQCQLHQHEYAR-DJJJIMSYSA-N 1 2 345.874 3.674 20 30 EHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341993476 1023746521 /nfs/dbraw/zinc/74/65/21/1023746521.db2.gz QTIIRLVLIWSOLE-LBPRGKRZSA-N 1 2 339.361 3.550 20 30 EHEDLO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccco1 ZINC000176192137 1023857949 /nfs/dbraw/zinc/85/79/49/1023857949.db2.gz WEZUQWVFSFHHAG-GASCZTMLSA-N 1 2 344.484 3.940 20 30 EHEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1-c1ccco1 ZINC000176192137 1023857956 /nfs/dbraw/zinc/85/79/56/1023857956.db2.gz WEZUQWVFSFHHAG-GASCZTMLSA-N 1 2 344.484 3.940 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C)c1C)Cc1cccc(C#N)c1 ZINC000063300890 1033172081 /nfs/dbraw/zinc/17/20/81/1033172081.db2.gz VRGQHHPVKFUINH-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cccc(C)c1C)Cc1cccc(C#N)c1 ZINC000063300890 1033172087 /nfs/dbraw/zinc/17/20/87/1033172087.db2.gz VRGQHHPVKFUINH-UHFFFAOYSA-N 1 2 333.435 3.802 20 30 EHEDLO C=CCCC[C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434379857 1023997518 /nfs/dbraw/zinc/99/75/18/1023997518.db2.gz MPQDXLGJSJENAO-INIZCTEOSA-N 1 2 344.503 3.853 20 30 EHEDLO C=CC(C)(C)Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000896875042 1024187865 /nfs/dbraw/zinc/18/78/65/1024187865.db2.gz USVQQVSXVLDDPV-WBVHZDCISA-N 1 2 341.455 3.786 20 30 EHEDLO C=CC(C)(C)Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000896875042 1024187871 /nfs/dbraw/zinc/18/78/71/1024187871.db2.gz USVQQVSXVLDDPV-WBVHZDCISA-N 1 2 341.455 3.786 20 30 EHEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329849073 1024220659 /nfs/dbraw/zinc/22/06/59/1024220659.db2.gz PVBOZNNWOIFURV-FQSHHYAASA-N 1 2 338.883 3.707 20 30 EHEDLO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329849073 1024220674 /nfs/dbraw/zinc/22/06/74/1024220674.db2.gz PVBOZNNWOIFURV-FQSHHYAASA-N 1 2 338.883 3.707 20 30 EHEDLO C[C@@H]1CCN(C([O-])=[NH+]c2ncc(C(C)(C)C)s2)C[C@H]1n1cc[nH+]c1 ZINC000329881872 1024235553 /nfs/dbraw/zinc/23/55/53/1024235553.db2.gz PBSILQUIBKDVFT-CHWSQXEVSA-N 1 2 347.488 3.766 20 30 EHEDLO O=C(C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)NC1CCCCCC1 ZINC000330189535 1024349062 /nfs/dbraw/zinc/34/90/62/1024349062.db2.gz LVHXSPHYZLXAIR-INIZCTEOSA-N 1 2 349.450 3.743 20 30 EHEDLO O=C(C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)NC1CCCCCC1 ZINC000330189535 1024349072 /nfs/dbraw/zinc/34/90/72/1024349072.db2.gz LVHXSPHYZLXAIR-INIZCTEOSA-N 1 2 349.450 3.743 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000435026061 1024567481 /nfs/dbraw/zinc/56/74/81/1024567481.db2.gz GMCXJSWNOMZYIY-DQLDELGASA-N 1 2 348.446 3.898 20 30 EHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000435026061 1024567490 /nfs/dbraw/zinc/56/74/90/1024567490.db2.gz GMCXJSWNOMZYIY-DQLDELGASA-N 1 2 348.446 3.898 20 30 EHEDLO CC1(C)CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c2cccc(Cl)c21 ZINC000330315003 1024690078 /nfs/dbraw/zinc/69/00/78/1024690078.db2.gz YILFFVQITFFQOR-GFCCVEGCSA-N 1 2 344.846 3.563 20 30 EHEDLO C=C1CC(c2noc(C3CC[NH+](Cc4csc(C)n4)CC3)n2)C1 ZINC000896890826 1024779030 /nfs/dbraw/zinc/77/90/30/1024779030.db2.gz XNWCCRDYCLYJFR-UHFFFAOYSA-N 1 2 330.457 3.648 20 30 EHEDLO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1cccs1 ZINC000060942796 1033278244 /nfs/dbraw/zinc/27/82/44/1033278244.db2.gz SWQPEVUTRCAIJX-MRXNPFEDSA-N 1 2 328.481 3.956 20 30 EHEDLO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1cccs1 ZINC000060942796 1033278260 /nfs/dbraw/zinc/27/82/60/1033278260.db2.gz SWQPEVUTRCAIJX-MRXNPFEDSA-N 1 2 328.481 3.956 20 30 EHEDLO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(C#N)cc1 ZINC000046527314 1033276090 /nfs/dbraw/zinc/27/60/90/1033276090.db2.gz HQYAWEPGQKCZTM-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(C#N)cc1 ZINC000046527314 1033276108 /nfs/dbraw/zinc/27/61/08/1033276108.db2.gz HQYAWEPGQKCZTM-UHFFFAOYSA-N 1 2 338.798 3.894 20 30 EHEDLO C=CCSc1ccccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000347161609 1025598421 /nfs/dbraw/zinc/59/84/21/1025598421.db2.gz HDVGVTXNVSWRES-UHFFFAOYSA-N 1 2 341.480 3.770 20 30 EHEDLO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2OC(C)(C)C)nn1 ZINC000657389563 1025822904 /nfs/dbraw/zinc/82/29/04/1025822904.db2.gz LWWDUTDZJWMWJT-UHFFFAOYSA-N 1 2 328.460 3.630 20 30 EHEDLO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nc2ccccc2n1C(F)F ZINC000562048496 1026274011 /nfs/dbraw/zinc/27/40/11/1026274011.db2.gz XULUENGVGDQRPU-LLVKDONJSA-N 1 2 327.338 3.549 20 30 EHEDLO CC[C@@H](C#N)Oc1cccc(CNc2nc(N)c3ccccc3[nH+]2)c1 ZINC000301905891 1026989224 /nfs/dbraw/zinc/98/92/24/1026989224.db2.gz QJHCKZWEPCIDSD-AWEZNQCLSA-N 1 2 333.395 3.505 20 30 EHEDLO N#Cc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1Cl ZINC000104978872 1027263029 /nfs/dbraw/zinc/26/30/29/1027263029.db2.gz SMTQRUUCLOWLGT-UHFFFAOYSA-N 1 2 343.818 3.620 20 30 EHEDLO N#Cc1ccc(C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cc1 ZINC000444590481 1028052427 /nfs/dbraw/zinc/05/24/27/1028052427.db2.gz AQPQLTFIOLCAMS-UHFFFAOYSA-N 1 2 347.378 3.507 20 30 EHEDLO N#Cc1ccc(C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC2)cc1 ZINC000444590481 1028052447 /nfs/dbraw/zinc/05/24/47/1028052447.db2.gz AQPQLTFIOLCAMS-UHFFFAOYSA-N 1 2 347.378 3.507 20 30 EHEDLO C=CC(C)(C)CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000455369080 1028077201 /nfs/dbraw/zinc/07/72/01/1028077201.db2.gz PNUPDPDOHADEPS-SFHVURJKSA-N 1 2 340.471 3.753 20 30 EHEDLO CC[C@H]([NH2+]C[C@H]1OCCc2sccc21)c1cccc(C#N)c1O ZINC000925162749 1028457458 /nfs/dbraw/zinc/45/74/58/1028457458.db2.gz VQKPWEJFGHUHCJ-JKSUJKDBSA-N 1 2 328.437 3.680 20 30 EHEDLO N#CCCCOc1ccc[nH+]c1NCc1cnn(Cc2ccccc2)c1 ZINC000162263197 1028540105 /nfs/dbraw/zinc/54/01/05/1028540105.db2.gz QSSQGIVQOJMIES-UHFFFAOYSA-N 1 2 347.422 3.621 20 30 EHEDLO Cc1cc(CNC(=O)c2cn(CCCC#N)c3ccccc23)cc(C)[nH+]1 ZINC000421911991 1028907547 /nfs/dbraw/zinc/90/75/47/1028907547.db2.gz CYDSUFZJSLYGFP-UHFFFAOYSA-N 1 2 346.434 3.887 20 30 EHEDLO CCOc1ccc(-c2nc(C[NH+]3CCC(C)(C#N)CC3)co2)cc1 ZINC000272572654 1029516956 /nfs/dbraw/zinc/51/69/56/1029516956.db2.gz NHYYRFNRPHSXPF-UHFFFAOYSA-N 1 2 325.412 3.866 20 30 EHEDLO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)nnn1-c1ccc(C)cc1 ZINC000453388679 1030171222 /nfs/dbraw/zinc/17/12/22/1030171222.db2.gz QSOPWYUFKOYAHU-AWEZNQCLSA-N 1 2 349.413 3.746 20 30 EHEDLO C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000049974340 1030634583 /nfs/dbraw/zinc/63/45/83/1030634583.db2.gz OFQQBJGVQHHZQX-MGPUTAFESA-N 1 2 345.402 3.857 20 30 EHEDLO C=CCC[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccccc1 ZINC000160382986 1030718763 /nfs/dbraw/zinc/71/87/63/1030718763.db2.gz OFVAAUYRMJANOE-GOSISDBHSA-N 1 2 326.444 3.622 20 30 EHEDLO C=CCCC(C)(C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000666033346 1030802860 /nfs/dbraw/zinc/80/28/60/1030802860.db2.gz OQEIJWWUIMGVDO-UHFFFAOYSA-N 1 2 342.443 3.828 20 30 EHEDLO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CC#Cc2ccccc2)cn1 ZINC000483927872 1031396170 /nfs/dbraw/zinc/39/61/70/1031396170.db2.gz MTDFDQRCVYPCQV-NRFANRHFSA-N 1 2 333.410 3.632 20 30 EHEDLO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC#Cc2ccccc2)cn1 ZINC000483927872 1031396194 /nfs/dbraw/zinc/39/61/94/1031396194.db2.gz MTDFDQRCVYPCQV-NRFANRHFSA-N 1 2 333.410 3.632 20 30 EHEDLO CCCN(C(=O)CCCn1cc[nH+]c1)c1cc(Cl)ccc1C#N ZINC000598808698 1033478315 /nfs/dbraw/zinc/47/83/15/1033478315.db2.gz HJPKACRQDIWAHU-UHFFFAOYSA-N 1 2 330.819 3.632 20 30 EHEDLO N#CCC1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000574992538 1033753636 /nfs/dbraw/zinc/75/36/36/1033753636.db2.gz OGZFPOKVKZATBG-UHFFFAOYSA-N 1 2 329.188 3.853 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1F ZINC000595718195 1033959783 /nfs/dbraw/zinc/95/97/83/1033959783.db2.gz RGPORZOKUWVDKT-GOSISDBHSA-N 1 2 326.371 3.644 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1F ZINC000595718195 1033959794 /nfs/dbraw/zinc/95/97/94/1033959794.db2.gz RGPORZOKUWVDKT-GOSISDBHSA-N 1 2 326.371 3.644 20 30 EHEDLO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1F ZINC000603926136 1034036615 /nfs/dbraw/zinc/03/66/15/1034036615.db2.gz GKPMYJFKHSZZEC-UHFFFAOYSA-N 1 2 325.387 3.548 20 30 EHEDLO CCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1F ZINC000603926136 1034036633 /nfs/dbraw/zinc/03/66/33/1034036633.db2.gz GKPMYJFKHSZZEC-UHFFFAOYSA-N 1 2 325.387 3.548 20 30 EHEDLO CC(C)C[N@H+](Cc1nnc(C2CC2)s1)Cc1ccc(C#N)cc1 ZINC000450315039 1034098943 /nfs/dbraw/zinc/09/89/43/1034098943.db2.gz WDPRWGJESXROMM-UHFFFAOYSA-N 1 2 326.469 3.945 20 30 EHEDLO CC(C)C[N@@H+](Cc1nnc(C2CC2)s1)Cc1ccc(C#N)cc1 ZINC000450315039 1034098958 /nfs/dbraw/zinc/09/89/58/1034098958.db2.gz WDPRWGJESXROMM-UHFFFAOYSA-N 1 2 326.469 3.945 20 30 EHEDLO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1F ZINC000604493295 1034398065 /nfs/dbraw/zinc/39/80/65/1034398065.db2.gz GCOAEEZUDAAOST-UHFFFAOYSA-N 1 2 345.462 3.723 20 30 EHEDLO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1F ZINC000604493295 1034398076 /nfs/dbraw/zinc/39/80/76/1034398076.db2.gz GCOAEEZUDAAOST-UHFFFAOYSA-N 1 2 345.462 3.723 20 30 EHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597011095 1034491257 /nfs/dbraw/zinc/49/12/57/1034491257.db2.gz UGEYESFYWZLULO-SFHVURJKSA-N 1 2 346.478 3.516 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@@](C)(C(F)F)O1 ZINC000597258189 1034632223 /nfs/dbraw/zinc/63/22/23/1034632223.db2.gz YNPBLLHTCXIJAN-KDOFPFPSSA-N 1 2 338.398 3.614 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@](C)(C(F)F)O1 ZINC000597258189 1034632232 /nfs/dbraw/zinc/63/22/32/1034632232.db2.gz YNPBLLHTCXIJAN-KDOFPFPSSA-N 1 2 338.398 3.614 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1C(C)=O ZINC000065959787 1035030599 /nfs/dbraw/zinc/03/05/99/1035030599.db2.gz IOKHDCSTDVGBIC-UHFFFAOYSA-N 1 2 336.435 3.558 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1C(C)=O ZINC000065959787 1035030607 /nfs/dbraw/zinc/03/06/07/1035030607.db2.gz IOKHDCSTDVGBIC-UHFFFAOYSA-N 1 2 336.435 3.558 20 30 EHEDLO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(CC#N)cc1 ZINC000541281910 1036144445 /nfs/dbraw/zinc/14/44/45/1036144445.db2.gz IZLYQGAEPRZIJI-FQEVSTJZSA-N 1 2 336.435 3.879 20 30 EHEDLO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(CC#N)cc1 ZINC000541281910 1036144451 /nfs/dbraw/zinc/14/44/51/1036144451.db2.gz IZLYQGAEPRZIJI-FQEVSTJZSA-N 1 2 336.435 3.879 20 30 EHEDLO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000589496287 1036439960 /nfs/dbraw/zinc/43/99/60/1036439960.db2.gz GINXSNIENGLNGG-UHFFFAOYSA-N 1 2 342.361 3.741 20 30 EHEDLO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000589496287 1036439970 /nfs/dbraw/zinc/43/99/70/1036439970.db2.gz GINXSNIENGLNGG-UHFFFAOYSA-N 1 2 342.361 3.741 20 30 EHEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464579206 1036565252 /nfs/dbraw/zinc/56/52/52/1036565252.db2.gz RIMVOEHRPRXBTL-LLVKDONJSA-N 1 2 344.680 3.788 20 30 EHEDLO C=CCC[C@@H](O)C[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC000464579206 1036565270 /nfs/dbraw/zinc/56/52/70/1036565270.db2.gz RIMVOEHRPRXBTL-LLVKDONJSA-N 1 2 344.680 3.788 20 30 EHEDLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000122181086 1036612215 /nfs/dbraw/zinc/61/22/15/1036612215.db2.gz JCNRXKAHRRCVIK-CYBMUJFWSA-N 1 2 342.468 3.517 20 30 EHEDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)s1 ZINC000122181086 1036612226 /nfs/dbraw/zinc/61/22/26/1036612226.db2.gz JCNRXKAHRRCVIK-CYBMUJFWSA-N 1 2 342.468 3.517 20 30 EHEDLO Cc1ccc2[nH+]c(CSc3nc4c(c(C)c3C#N)CCC4)cn2c1 ZINC000057544396 1036933153 /nfs/dbraw/zinc/93/31/53/1036933153.db2.gz RRSSJNOTMSZMJT-UHFFFAOYSA-N 1 2 334.448 3.999 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000610726510 1037064327 /nfs/dbraw/zinc/06/43/27/1037064327.db2.gz ZQHNSBWDQDVXJB-KSSFIOAISA-N 1 2 331.423 3.699 20 30 EHEDLO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC)c1OC)c1ccc(Cl)cc1 ZINC000491428475 1037455131 /nfs/dbraw/zinc/45/51/31/1037455131.db2.gz PDXTWIPVNYFMSF-INIZCTEOSA-N 1 2 345.826 3.830 20 30 EHEDLO C#CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000760858082 1037544752 /nfs/dbraw/zinc/54/47/52/1037544752.db2.gz XESVVERQTCVXJC-HNNXBMFYSA-N 1 2 325.239 3.810 20 30 EHEDLO C#CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000760858082 1037544768 /nfs/dbraw/zinc/54/47/68/1037544768.db2.gz XESVVERQTCVXJC-HNNXBMFYSA-N 1 2 325.239 3.810 20 30 EHEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000540507294 1038026302 /nfs/dbraw/zinc/02/63/02/1038026302.db2.gz JDZUVFDYIPQVLW-SECBINFHSA-N 1 2 333.176 3.642 20 30 EHEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000540507294 1038026328 /nfs/dbraw/zinc/02/63/28/1038026328.db2.gz JDZUVFDYIPQVLW-SECBINFHSA-N 1 2 333.176 3.642 20 30 EHEDLO C=CC(C)(C)[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000898461067 1039076249 /nfs/dbraw/zinc/07/62/49/1039076249.db2.gz ZHTDDEMHASLQLC-UHFFFAOYSA-N 1 2 345.468 3.891 20 30 EHEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489539285 1040061111 /nfs/dbraw/zinc/06/11/11/1040061111.db2.gz RNBINZDGKMJNGF-HOTGVXAUSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489539285 1040061128 /nfs/dbraw/zinc/06/11/28/1040061128.db2.gz RNBINZDGKMJNGF-HOTGVXAUSA-N 1 2 338.854 3.943 20 30 EHEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1cccc(Cl)c1 ZINC000489625678 1040111597 /nfs/dbraw/zinc/11/15/97/1040111597.db2.gz QEUKYVKUEWRSLH-UHFFFAOYSA-N 1 2 345.859 3.810 20 30 EHEDLO CC(C)n1c[nH+]cc1/C=C1\CCc2ncc(Br)cc2C1=O ZINC000899397027 1040442986 /nfs/dbraw/zinc/44/29/86/1040442986.db2.gz KDMCDQXCRVWZGK-VZUCSPMQSA-N 1 2 346.228 3.834 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@H+](C)[C@@H](C)CC#N)o2)cc1 ZINC000614233430 1040779328 /nfs/dbraw/zinc/77/93/28/1040779328.db2.gz DVPSIYIIADMUTL-AWEZNQCLSA-N 1 2 326.396 3.857 20 30 EHEDLO CCOC(=O)c1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)CC#N)o2)cc1 ZINC000614233430 1040779340 /nfs/dbraw/zinc/77/93/40/1040779340.db2.gz DVPSIYIIADMUTL-AWEZNQCLSA-N 1 2 326.396 3.857 20 30 EHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000600213015 1040829567 /nfs/dbraw/zinc/82/95/67/1040829567.db2.gz OMNAQEJRJVCFKR-SFHVURJKSA-N 1 2 339.464 3.619 20 30 EHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000600213015 1040829581 /nfs/dbraw/zinc/82/95/81/1040829581.db2.gz OMNAQEJRJVCFKR-SFHVURJKSA-N 1 2 339.464 3.619 20 30 EHEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000411485611 1040900048 /nfs/dbraw/zinc/90/00/48/1040900048.db2.gz IYWNOKCNAJDKND-HNNXBMFYSA-N 1 2 340.423 3.540 20 30 EHEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000411485611 1040900064 /nfs/dbraw/zinc/90/00/64/1040900064.db2.gz IYWNOKCNAJDKND-HNNXBMFYSA-N 1 2 340.423 3.540 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000364402096 1041167645 /nfs/dbraw/zinc/16/76/45/1041167645.db2.gz IWGWUBCJDILOAN-QGZVFWFLSA-N 1 2 339.439 3.555 20 30 EHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000364402096 1041167657 /nfs/dbraw/zinc/16/76/57/1041167657.db2.gz IWGWUBCJDILOAN-QGZVFWFLSA-N 1 2 339.439 3.555 20 30 EHEDLO Cc1cccc(CN2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000162723815 1041249652 /nfs/dbraw/zinc/24/96/52/1041249652.db2.gz RLTCNJRCIQZYAD-LJQANCHMSA-N 1 2 349.478 3.604 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H](CC)C2)c1=S ZINC000126233824 1041282861 /nfs/dbraw/zinc/28/28/61/1041282861.db2.gz GMNSNFCSVNGWTE-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H](CC)C2)c1=S ZINC000126233824 1041282877 /nfs/dbraw/zinc/28/28/77/1041282877.db2.gz GMNSNFCSVNGWTE-OAHLLOKOSA-N 1 2 343.500 3.742 20 30 EHEDLO COc1cccc(-c2csc(C[NH+]3CCC(C)(C#N)CC3)n2)c1 ZINC000893469599 1042212199 /nfs/dbraw/zinc/21/21/99/1042212199.db2.gz AUEHJNDEENRHRT-UHFFFAOYSA-N 1 2 327.453 3.944 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000570216600 1043026963 /nfs/dbraw/zinc/02/69/63/1043026963.db2.gz RUWDEOFGOKWBLC-GOSISDBHSA-N 1 2 325.343 3.537 20 30 EHEDLO N#Cc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000570216600 1043026965 /nfs/dbraw/zinc/02/69/65/1043026965.db2.gz RUWDEOFGOKWBLC-GOSISDBHSA-N 1 2 325.343 3.537 20 30 EHEDLO C=CCOc1ccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000072802554 1126888002 /nfs/dbraw/zinc/88/80/02/1126888002.db2.gz FLZWIVAFZISXGB-UHFFFAOYSA-N 1 2 341.436 3.995 20 30 EHEDLO C=CCOc1ccc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000072802554 1126888004 /nfs/dbraw/zinc/88/80/04/1126888004.db2.gz FLZWIVAFZISXGB-UHFFFAOYSA-N 1 2 341.436 3.995 20 30 EHEDLO C#CCCOc1ccc(CNc2[nH+]c3ccccc3n2CCOC)cc1 ZINC000185843052 1127113485 /nfs/dbraw/zinc/11/34/85/1127113485.db2.gz HUSZNACQZHNQCA-UHFFFAOYSA-N 1 2 349.434 3.697 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000765056177 1127568016 /nfs/dbraw/zinc/56/80/16/1127568016.db2.gz MHLVLMSCTMEPFB-LSDHHAIUSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2CC)c1=S ZINC000765056177 1127568018 /nfs/dbraw/zinc/56/80/18/1127568018.db2.gz MHLVLMSCTMEPFB-LSDHHAIUSA-N 1 2 343.500 3.740 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC[C@H](C(C)C)C2)c1=S ZINC000765080717 1127573389 /nfs/dbraw/zinc/57/33/89/1127573389.db2.gz SMEGSCZWIFWFQB-HNNXBMFYSA-N 1 2 343.500 3.597 20 30 EHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC[C@H](C(C)C)C2)c1=S ZINC000765080717 1127573392 /nfs/dbraw/zinc/57/33/92/1127573392.db2.gz SMEGSCZWIFWFQB-HNNXBMFYSA-N 1 2 343.500 3.597 20 30 EHEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000265571374 1127772337 /nfs/dbraw/zinc/77/23/37/1127772337.db2.gz DXXWPJAHOUJNRH-JOWJHRDDSA-N 1 2 338.476 3.567 20 30 EHEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000265571374 1127772339 /nfs/dbraw/zinc/77/23/39/1127772339.db2.gz DXXWPJAHOUJNRH-JOWJHRDDSA-N 1 2 338.476 3.567 20 30 EHEDLO CC(C)[C@@H]([NH2+]Cc1csc(C#N)c1)c1nc(-c2cccnc2)no1 ZINC000921666834 1128446081 /nfs/dbraw/zinc/44/60/81/1128446081.db2.gz IYRFCEZHBWNGPX-OAHLLOKOSA-N 1 2 339.424 3.552 20 30 EHEDLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(CC#N)CC1 ZINC000542879866 1128723119 /nfs/dbraw/zinc/72/31/19/1128723119.db2.gz RJLCHCQQAZRZST-NSHDSACASA-N 1 2 340.254 3.946 20 30 EHEDLO COCC[N@H+](Cc1nc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000063754327 1128896836 /nfs/dbraw/zinc/89/68/36/1128896836.db2.gz BAHUKCKXFJHPQV-UHFFFAOYSA-N 1 2 337.448 3.817 20 30 EHEDLO COCC[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000063754327 1128896842 /nfs/dbraw/zinc/89/68/42/1128896842.db2.gz BAHUKCKXFJHPQV-UHFFFAOYSA-N 1 2 337.448 3.817 20 30 EHEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc(F)c(C)c1)c1ccccc1Cl ZINC000495090600 1120948722 /nfs/dbraw/zinc/94/87/22/1120948722.db2.gz QMAZJLLCWKGLDO-IBGZPJMESA-N 1 2 346.833 3.769 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915208856 1121253802 /nfs/dbraw/zinc/25/38/02/1121253802.db2.gz IDPBYABQKXFUKW-AWEZNQCLSA-N 1 2 331.489 3.596 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@@H](C)C(C)C)c1=S ZINC000915208856 1121253806 /nfs/dbraw/zinc/25/38/06/1121253806.db2.gz IDPBYABQKXFUKW-AWEZNQCLSA-N 1 2 331.489 3.596 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000153381556 1121939853 /nfs/dbraw/zinc/93/98/53/1121939853.db2.gz MFOKGMBIKHURPM-VBKZILBWSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000153381556 1121939860 /nfs/dbraw/zinc/93/98/60/1121939860.db2.gz MFOKGMBIKHURPM-VBKZILBWSA-N 1 2 340.398 3.668 20 30 EHEDLO CCOc1ccc(O)c(/C=[NH+]/CCCOCCc2ccccc2)c1 ZINC000917557244 1122636938 /nfs/dbraw/zinc/63/69/38/1122636938.db2.gz CFIPQVVIWACTOS-LTGZKZEYSA-N 1 2 327.424 3.859 20 30 EHEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000181749697 1125028270 /nfs/dbraw/zinc/02/82/70/1125028270.db2.gz WPJRRXFHYAUBKF-LLVKDONJSA-N 1 2 331.778 3.640 20 30 EHEDLO C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000067132996 1129247023 /nfs/dbraw/zinc/24/70/23/1129247023.db2.gz PVSJKSUDHCRYIB-QRWLVFNGSA-N 1 2 345.402 3.857 20 30 EHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000118392523 1129507954 /nfs/dbraw/zinc/50/79/54/1129507954.db2.gz AEKGHJSNTXVAMR-KRWDZBQOSA-N 1 2 339.483 3.734 20 30 EHEDLO C=CCCCCCN(C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673780232 1129841816 /nfs/dbraw/zinc/84/18/16/1129841816.db2.gz UPFXZIMXADBZCO-UHFFFAOYSA-N 1 2 328.460 3.573 20 30 EHEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2ccc(C#N)o2)c1 ZINC000131849167 1129850441 /nfs/dbraw/zinc/85/04/41/1129850441.db2.gz XSRITZWEOUSCAH-UHFFFAOYSA-N 1 2 338.436 3.852 20 30 EHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2ccc(C#N)o2)c1 ZINC000131849167 1129850445 /nfs/dbraw/zinc/85/04/45/1129850445.db2.gz XSRITZWEOUSCAH-UHFFFAOYSA-N 1 2 338.436 3.852 20 30 EHEDLO CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000133329104 1129943263 /nfs/dbraw/zinc/94/32/63/1129943263.db2.gz DQZCQBTZLINMNB-UHFFFAOYSA-N 1 2 329.778 3.517 20 30 EHEDLO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(F)F ZINC000133329104 1129943265 /nfs/dbraw/zinc/94/32/65/1129943265.db2.gz DQZCQBTZLINMNB-UHFFFAOYSA-N 1 2 329.778 3.517 20 30 EHEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)n1 ZINC000543545690 1129958786 /nfs/dbraw/zinc/95/87/86/1129958786.db2.gz QDOALLCIBHFCIJ-AWEZNQCLSA-N 1 2 348.406 3.662 20 30 EHEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000625701788 1129986698 /nfs/dbraw/zinc/98/66/98/1129986698.db2.gz SKGCGEPYDPAOOM-CYBMUJFWSA-N 1 2 337.261 3.594 20 30 EHEDLO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2Br)C1 ZINC000625701788 1129986699 /nfs/dbraw/zinc/98/66/99/1129986699.db2.gz SKGCGEPYDPAOOM-CYBMUJFWSA-N 1 2 337.261 3.594 20 30 EHEDLO CCOCc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1OC ZINC000730148390 1130679083 /nfs/dbraw/zinc/67/90/83/1130679083.db2.gz SHSBVGKTVSDUNZ-UHFFFAOYSA-N 1 2 335.407 3.648 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000730549238 1130718528 /nfs/dbraw/zinc/71/85/28/1130718528.db2.gz DYICRBRJMUROBL-MOSHPQCFSA-N 1 2 339.395 3.515 20 30 EHEDLO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000731213068 1130777708 /nfs/dbraw/zinc/77/77/08/1130777708.db2.gz HDMHPPACZIVMRT-HZSPNIEDSA-N 1 2 327.453 3.735 20 30 EHEDLO COc1cc(C)c(C(C)=NNc2cc[nH+]c3ccccc23)cc1OC ZINC000731317020 1130787918 /nfs/dbraw/zinc/78/79/18/1130787918.db2.gz SXGYSYZHIBCYFI-UHFFFAOYSA-N 1 2 335.407 3.818 20 30 EHEDLO NC(=[NH+]OCCOc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000733304916 1131019543 /nfs/dbraw/zinc/01/95/43/1131019543.db2.gz SEJGIAYDPYQKCC-UHFFFAOYSA-N 1 2 342.292 3.560 20 30 EHEDLO C=CCCC[N@@H+](C)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000736590624 1131427595 /nfs/dbraw/zinc/42/75/95/1131427595.db2.gz ZBGPQUPOOQZTIR-UHFFFAOYSA-N 1 2 333.457 3.660 20 30 EHEDLO C=CCCC[N@H+](C)Cn1nc(Cc2ccccc2OC)oc1=S ZINC000736590624 1131427597 /nfs/dbraw/zinc/42/75/97/1131427597.db2.gz ZBGPQUPOOQZTIR-UHFFFAOYSA-N 1 2 333.457 3.660 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCCCC[C@H]2C)c1=S ZINC000738227074 1131464163 /nfs/dbraw/zinc/46/41/63/1131464163.db2.gz QLDWAKDEGBVEFK-OAHLLOKOSA-N 1 2 343.500 3.884 20 30 EHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCCCC[C@H]2C)c1=S ZINC000738227074 1131464166 /nfs/dbraw/zinc/46/41/66/1131464166.db2.gz QLDWAKDEGBVEFK-OAHLLOKOSA-N 1 2 343.500 3.884 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCCc1ccccc1 ZINC000739901493 1131512989 /nfs/dbraw/zinc/51/29/89/1131512989.db2.gz BCDLLVVHHQGXHR-FQEVSTJZSA-N 1 2 336.435 3.727 20 30 EHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCCc1ccccc1 ZINC000739901493 1131512995 /nfs/dbraw/zinc/51/29/95/1131512995.db2.gz BCDLLVVHHQGXHR-FQEVSTJZSA-N 1 2 336.435 3.727 20 30 EHEDLO N#Cc1ccccc1COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741350071 1131598252 /nfs/dbraw/zinc/59/82/52/1131598252.db2.gz GZJJMUCFKORMNY-FQEVSTJZSA-N 1 2 334.419 3.656 20 30 EHEDLO N#Cc1ccccc1COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741350071 1131598257 /nfs/dbraw/zinc/59/82/57/1131598257.db2.gz GZJJMUCFKORMNY-FQEVSTJZSA-N 1 2 334.419 3.656 20 30 EHEDLO COc1cc(C)cc2c1OC/C(=C/c1c[nH+]c3c(C)cccn13)C2=O ZINC000741467095 1131606111 /nfs/dbraw/zinc/60/61/11/1131606111.db2.gz FVMWUYNDGOBKJP-ZROIWOOFSA-N 1 2 334.375 3.618 20 30 EHEDLO COc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1OC ZINC000737442966 1131632836 /nfs/dbraw/zinc/63/28/36/1131632836.db2.gz FWHBTBPXPLFLHW-WAYWQWQTSA-N 1 2 342.782 3.901 20 30 EHEDLO CCCCCCCC[C@H](CCC)[NH2+][C@@H](CCC(=O)OC)C(=O)OC ZINC001173310295 1132036038 /nfs/dbraw/zinc/03/60/38/1132036038.db2.gz SBCRYHFQULXIHN-IRXDYDNUSA-N 1 2 343.508 3.990 20 30 EHEDLO C[C@@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173594982 1132099928 /nfs/dbraw/zinc/09/99/28/1132099928.db2.gz PDXQODDFXOWMOI-XRTORIHISA-N 1 2 342.487 3.659 20 30 EHEDLO C[C@@H]1c2ncc(COCC3CC3)n2CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173594982 1132099937 /nfs/dbraw/zinc/09/99/37/1132099937.db2.gz PDXQODDFXOWMOI-XRTORIHISA-N 1 2 342.487 3.659 20 30 EHEDLO CC(C)n1c[nH+]c2cc(Nc3c(C#N)cnn3-c3ccccn3)ccc21 ZINC001174381964 1132345422 /nfs/dbraw/zinc/34/54/22/1132345422.db2.gz TZCZGNANDXPKLN-UHFFFAOYSA-N 1 2 343.394 3.813 20 30 EHEDLO C#Cc1cc(Nc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc[nH+]1 ZINC001174435950 1132353553 /nfs/dbraw/zinc/35/35/53/1132353553.db2.gz WQTSQXYVVRZLNY-UHFFFAOYSA-N 1 2 349.434 3.522 20 30 EHEDLO COc1ccc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000746147778 1132384224 /nfs/dbraw/zinc/38/42/24/1132384224.db2.gz UFJQWZIEJPRZHN-UHFFFAOYSA-N 1 2 340.854 3.522 20 30 EHEDLO C=C(C)Nc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC001174788045 1132463829 /nfs/dbraw/zinc/46/38/29/1132463829.db2.gz QJWGRWJKIWIXRC-UHFFFAOYSA-N 1 2 332.448 3.521 20 30 EHEDLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC001174806782 1132477847 /nfs/dbraw/zinc/47/78/47/1132477847.db2.gz FWKKFSCMXOFRCO-UHFFFAOYSA-N 1 2 334.435 3.887 20 30 EHEDLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)c(F)c1 ZINC001174806782 1132477856 /nfs/dbraw/zinc/47/78/56/1132477856.db2.gz FWKKFSCMXOFRCO-UHFFFAOYSA-N 1 2 334.435 3.887 20 30 EHEDLO N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174976241 1132509635 /nfs/dbraw/zinc/50/96/35/1132509635.db2.gz OYJLPVLKGUVQIR-UHFFFAOYSA-N 1 2 348.328 3.552 20 30 EHEDLO Cc1cc([NH2+]C23CCC(C#N)(CC2)CC3)ccc1N1CCOCC1 ZINC001169749962 1132839177 /nfs/dbraw/zinc/83/91/77/1132839177.db2.gz MAPCSIJRDTUCRJ-UHFFFAOYSA-N 1 2 325.456 3.860 20 30 EHEDLO C#Cc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c(Cl)c1 ZINC001179656062 1133267794 /nfs/dbraw/zinc/26/77/94/1133267794.db2.gz NLLUROMXJFMBTH-CYBMUJFWSA-N 1 2 341.720 3.650 20 30 EHEDLO Fc1cccc(Cl)c1C[NH+]1CCC(N=NCC(F)(F)F)CC1 ZINC000769811293 1133349423 /nfs/dbraw/zinc/34/94/23/1133349423.db2.gz ZTPUSVKVKHLPPC-UHFFFAOYSA-N 1 2 337.748 3.583 20 30 EHEDLO CC(=[NH+]Nc1c(C)cccc1F)c1ccc(N2CCOCC2)cc1 ZINC000769839575 1133354140 /nfs/dbraw/zinc/35/41/40/1133354140.db2.gz DSTDDDWTOBUVRC-UHFFFAOYSA-N 1 2 327.403 3.807 20 30 EHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000770392667 1133422094 /nfs/dbraw/zinc/42/20/94/1133422094.db2.gz UJTZCIORSYLKOC-OAQYLSRUSA-N 1 2 334.419 3.697 20 30 EHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000770392667 1133422097 /nfs/dbraw/zinc/42/20/97/1133422097.db2.gz UJTZCIORSYLKOC-OAQYLSRUSA-N 1 2 334.419 3.697 20 30 EHEDLO Cc1cc(NN=Cc2cccc3[nH+]ccn32)ccc1Br ZINC000771101681 1133510133 /nfs/dbraw/zinc/51/01/33/1133510133.db2.gz WCBJJDLPWDSBIF-UHFFFAOYSA-N 1 2 329.201 3.851 20 30 EHEDLO C#CC1CCN(C(=O)[C@H](c2ccccc2Cl)[NH+](CC)CC)CC1 ZINC001182222186 1133599076 /nfs/dbraw/zinc/59/90/76/1133599076.db2.gz STVLIMQUXVHRPC-SFHVURJKSA-N 1 2 332.875 3.595 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2ccccc2C#N)C1 ZINC000787994139 1134062627 /nfs/dbraw/zinc/06/26/27/1134062627.db2.gz COUYKGSGPVILFT-HXUWFJFHSA-N 1 2 341.455 3.534 20 30 EHEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2ccccc2C#N)C1 ZINC000787994139 1134062634 /nfs/dbraw/zinc/06/26/34/1134062634.db2.gz COUYKGSGPVILFT-HXUWFJFHSA-N 1 2 341.455 3.534 20 30 EHEDLO CC#CCCCC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000788251479 1134101567 /nfs/dbraw/zinc/10/15/67/1134101567.db2.gz XFRXAAFDQYJWIO-INIZCTEOSA-N 1 2 327.472 3.625 20 30 EHEDLO CC#CCCCC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000788251479 1134101570 /nfs/dbraw/zinc/10/15/70/1134101570.db2.gz XFRXAAFDQYJWIO-INIZCTEOSA-N 1 2 327.472 3.625 20 30 EHEDLO C=CCC(C)(C)CNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001186556874 1134231872 /nfs/dbraw/zinc/23/18/72/1134231872.db2.gz MGCQBIASLPSPIC-UHFFFAOYSA-N 1 2 325.391 3.969 20 30 EHEDLO Cc1c(C#N)cccc1C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001273537741 1134317839 /nfs/dbraw/zinc/31/78/39/1134317839.db2.gz ZFNVXVFANFBDJI-UHFFFAOYSA-N 1 2 330.391 3.733 20 30 EHEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2cncc(Br)c2)cn1 ZINC000790170493 1134378045 /nfs/dbraw/zinc/37/80/45/1134378045.db2.gz NKZODDCIFXFJAI-UHFFFAOYSA-N 1 2 348.248 3.530 20 30 EHEDLO CCC#C[C@@H](C)Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC001188006587 1134411510 /nfs/dbraw/zinc/41/15/10/1134411510.db2.gz PMERHIUZIBCEOZ-ZIAGYGMSSA-N 1 2 346.475 3.923 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCCO1 ZINC000775346058 1134656636 /nfs/dbraw/zinc/65/66/36/1134656636.db2.gz SYPCJRYQINRICK-HZPDHXFCSA-N 1 2 332.856 3.734 20 30 EHEDLO C=C1CC[NH+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC001190846190 1134758902 /nfs/dbraw/zinc/75/89/02/1134758902.db2.gz JJIWWDQJAUODAY-HXUWFJFHSA-N 1 2 330.447 3.825 20 30 EHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000793165801 1134858470 /nfs/dbraw/zinc/85/84/70/1134858470.db2.gz CCCPACRNBYNEAC-MSOLQXFVSA-N 1 2 338.455 3.502 20 30 EHEDLO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccc(F)cc1C#N ZINC001195596352 1135440800 /nfs/dbraw/zinc/44/08/00/1135440800.db2.gz MLMYUMPTFZMWMF-UHFFFAOYSA-N 1 2 334.297 3.651 20 30 EHEDLO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)Cc1ccc(F)cc1C#N ZINC001195596352 1135440804 /nfs/dbraw/zinc/44/08/04/1135440804.db2.gz MLMYUMPTFZMWMF-UHFFFAOYSA-N 1 2 334.297 3.651 20 30 EHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1cc(F)ccc1[N+](=O)[O-] ZINC000806560084 1135459388 /nfs/dbraw/zinc/45/93/88/1135459388.db2.gz JECPSQMDKRERNA-RQOWECAXSA-N 1 2 343.339 3.877 20 30 EHEDLO C=CCC(C)(C)c1nc([C@H]2C[N@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181622 1135577220 /nfs/dbraw/zinc/57/72/20/1135577220.db2.gz MPCNTCPUMYQFME-QGZVFWFLSA-N 1 2 341.455 3.805 20 30 EHEDLO C=CCC(C)(C)c1nc([C@H]2C[N@@H+](Cc3ccccc3C)CCO2)no1 ZINC000867181622 1135577225 /nfs/dbraw/zinc/57/72/25/1135577225.db2.gz MPCNTCPUMYQFME-QGZVFWFLSA-N 1 2 341.455 3.805 20 30 EHEDLO N#Cc1ccc(-c2ccc(C(=O)Nc3cccc4[nH+]ccn43)o2)cc1 ZINC001197386670 1135682292 /nfs/dbraw/zinc/68/22/92/1135682292.db2.gz KOKBFFNNSDKYDW-UHFFFAOYSA-N 1 2 328.331 3.718 20 30 EHEDLO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(OCC#N)cc1 ZINC000747534313 1135756615 /nfs/dbraw/zinc/75/66/15/1135756615.db2.gz WUQQRIHXOYSBNL-UHFFFAOYSA-N 1 2 327.453 3.556 20 30 EHEDLO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(OCC#N)cc1 ZINC000747534313 1135756618 /nfs/dbraw/zinc/75/66/18/1135756618.db2.gz WUQQRIHXOYSBNL-UHFFFAOYSA-N 1 2 327.453 3.556 20 30 EHEDLO CCCCCCCC[N@@H+]1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O ZINC001201814338 1136065003 /nfs/dbraw/zinc/06/50/03/1136065003.db2.gz NVEHBTGVXXLXSS-LJQANCHMSA-N 1 2 348.535 3.860 20 30 EHEDLO CCCCCCCC[N@H+]1CCc2c(ncn2C(C)C)[C@H]1CNC(C)=O ZINC001201814338 1136065006 /nfs/dbraw/zinc/06/50/06/1136065006.db2.gz NVEHBTGVXXLXSS-LJQANCHMSA-N 1 2 348.535 3.860 20 30 EHEDLO C=CCn1c(C2CC2)nn(C[NH+]2CCC(C)(C3CC3)CC2)c1=S ZINC000811785089 1136140390 /nfs/dbraw/zinc/14/03/90/1136140390.db2.gz UZDIPEKWUJURRW-UHFFFAOYSA-N 1 2 332.517 3.947 20 30 EHEDLO C[N@H+](CC(F)F)C1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000851848299 1136413474 /nfs/dbraw/zinc/41/34/74/1136413474.db2.gz HHKLVLBJAQGKAD-OAHLLOKOSA-N 1 2 327.806 3.566 20 30 EHEDLO C[N@@H+](CC(F)F)C1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000851848299 1136413476 /nfs/dbraw/zinc/41/34/76/1136413476.db2.gz HHKLVLBJAQGKAD-OAHLLOKOSA-N 1 2 327.806 3.566 20 30 EHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1cc([N+](=O)[O-])ccc1F ZINC000814191432 1136416138 /nfs/dbraw/zinc/41/61/38/1136416138.db2.gz PWWWBBQIFBLFEK-DUXPYHPUSA-N 1 2 343.339 3.877 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)c(CC)cc2=O)C1 ZINC000853537316 1136541981 /nfs/dbraw/zinc/54/19/81/1136541981.db2.gz UWGMRQQVHQCUFQ-KRWDZBQOSA-N 1 2 337.467 3.718 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3)c(CC)cc2=O)C1 ZINC000853537316 1136541984 /nfs/dbraw/zinc/54/19/84/1136541984.db2.gz UWGMRQQVHQCUFQ-KRWDZBQOSA-N 1 2 337.467 3.718 20 30 EHEDLO N#CCc1ccc(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)cc1 ZINC001135642641 1136740367 /nfs/dbraw/zinc/74/03/67/1136740367.db2.gz KHRRLUXJAILAFM-CALCHBBNSA-N 1 2 334.423 3.757 20 30 EHEDLO Nc1ccc2c(c1)C(=[NH+]Nc1ccc(Br)nc1)CCCC2 ZINC000817325934 1136793537 /nfs/dbraw/zinc/79/35/37/1136793537.db2.gz IDEXJEGHFDBMSE-UHFFFAOYSA-N 1 2 345.244 3.969 20 30 EHEDLO C[NH+](C)Cc1cnc(/C=C2/CCCc3cc(C#N)ccc3C2=O)s1 ZINC000819015170 1136903612 /nfs/dbraw/zinc/90/36/12/1136903612.db2.gz XZZAOZRKHYJJRG-DHDCSXOGSA-N 1 2 337.448 3.679 20 30 EHEDLO N#Cc1ccc(Nc2cc(Br)c3[nH+]ccn3c2)cc1F ZINC001204053731 1136995826 /nfs/dbraw/zinc/99/58/26/1136995826.db2.gz LVLZSHJQEPGRES-UHFFFAOYSA-N 1 2 331.148 3.851 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H](O)c1ccc(Cl)cc1 ZINC000820619607 1136998545 /nfs/dbraw/zinc/99/85/45/1136998545.db2.gz WOMKBVVGFTUTBF-MRXNPFEDSA-N 1 2 330.815 3.673 20 30 EHEDLO C#CCCOc1ccc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC001136459413 1137030938 /nfs/dbraw/zinc/03/09/38/1137030938.db2.gz UZNPQGMTJSYOTN-UHFFFAOYSA-N 1 2 331.375 3.731 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC(F)(F)C[C@@H]2C)cc1C ZINC000859835833 1137033730 /nfs/dbraw/zinc/03/37/30/1137033730.db2.gz CMCNVJPWAVBLLX-INIZCTEOSA-N 1 2 349.425 3.670 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC(F)(F)C[C@@H]2C)cc1C ZINC000859835833 1137033732 /nfs/dbraw/zinc/03/37/32/1137033732.db2.gz CMCNVJPWAVBLLX-INIZCTEOSA-N 1 2 349.425 3.670 20 30 EHEDLO Cc1nc(C[N@@H+]2CCc3c(CC#N)cccc3C2)nc2ccccc12 ZINC000860107461 1137044764 /nfs/dbraw/zinc/04/47/64/1137044764.db2.gz OYSPJMDWBDSNOE-UHFFFAOYSA-N 1 2 328.419 3.563 20 30 EHEDLO Cc1nc(C[N@H+]2CCc3c(CC#N)cccc3C2)nc2ccccc12 ZINC000860107461 1137044765 /nfs/dbraw/zinc/04/47/65/1137044765.db2.gz OYSPJMDWBDSNOE-UHFFFAOYSA-N 1 2 328.419 3.563 20 30 EHEDLO Cn1c[nH+]cc1-c1cccc(NC(=N)c2ccc3ccccc3n2)c1 ZINC001171047903 1137125237 /nfs/dbraw/zinc/12/52/37/1137125237.db2.gz JHZPQGJUMQBIRS-UHFFFAOYSA-N 1 2 327.391 3.672 20 30 EHEDLO C#CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000824325983 1137132242 /nfs/dbraw/zinc/13/22/42/1137132242.db2.gz WLVWNADAYZZTOA-IBGZPJMESA-N 1 2 335.451 3.726 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000119529637 1137192851 /nfs/dbraw/zinc/19/28/51/1137192851.db2.gz MQXKQPJBULKKDW-INIZCTEOSA-N 1 2 342.512 3.880 20 30 EHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000119529637 1137192852 /nfs/dbraw/zinc/19/28/52/1137192852.db2.gz MQXKQPJBULKKDW-INIZCTEOSA-N 1 2 342.512 3.880 20 30 EHEDLO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143732959 1137193055 /nfs/dbraw/zinc/19/30/55/1137193055.db2.gz ZGFOMENOKPZJAC-MRXNPFEDSA-N 1 2 341.842 3.959 20 30 EHEDLO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3C#N)C2)n1 ZINC001143732959 1137193056 /nfs/dbraw/zinc/19/30/56/1137193056.db2.gz ZGFOMENOKPZJAC-MRXNPFEDSA-N 1 2 341.842 3.959 20 30 EHEDLO CCCCc1nc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cs1 ZINC000844366727 1137216005 /nfs/dbraw/zinc/21/60/05/1137216005.db2.gz KIVDJYYSQFORRE-KRWDZBQOSA-N 1 2 329.469 3.523 20 30 EHEDLO CCCCc1nc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cs1 ZINC000844366727 1137216007 /nfs/dbraw/zinc/21/60/07/1137216007.db2.gz KIVDJYYSQFORRE-KRWDZBQOSA-N 1 2 329.469 3.523 20 30 EHEDLO C#C[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000845601036 1137300686 /nfs/dbraw/zinc/30/06/86/1137300686.db2.gz MEHMXRCYKIJQHU-IUODEOHRSA-N 1 2 336.313 3.771 20 30 EHEDLO C#Cc1ccc(C[N@@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)cc1 ZINC001144576868 1137311704 /nfs/dbraw/zinc/31/17/04/1137311704.db2.gz UIBWXXJCEVFXEP-UHFFFAOYSA-N 1 2 330.431 3.727 20 30 EHEDLO C#Cc1ccc(C[N@H+]2CCc3c(c4cc(OC)ccc4n3C)C2)cc1 ZINC001144576868 1137311706 /nfs/dbraw/zinc/31/17/06/1137311706.db2.gz UIBWXXJCEVFXEP-UHFFFAOYSA-N 1 2 330.431 3.727 20 30 EHEDLO CCCCCCCCCS(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000845839998 1137315091 /nfs/dbraw/zinc/31/50/91/1137315091.db2.gz YBTZTLXOUBGCPA-UHFFFAOYSA-N 1 2 341.521 3.600 20 30 EHEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cc(F)c(O)cc3F)C2)c1 ZINC001144657677 1137323723 /nfs/dbraw/zinc/32/37/23/1137323723.db2.gz DCBBXCOTTIXXRG-INIZCTEOSA-N 1 2 344.361 3.585 20 30 EHEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cc(F)c(O)cc3F)C2)c1 ZINC001144657677 1137323725 /nfs/dbraw/zinc/32/37/25/1137323725.db2.gz DCBBXCOTTIXXRG-INIZCTEOSA-N 1 2 344.361 3.585 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccc(N2CCCC2=O)c1 ZINC000866242824 1137338311 /nfs/dbraw/zinc/33/83/11/1137338311.db2.gz MZXDVSBCCSKRAP-CABCVRRESA-N 1 2 349.434 3.802 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001171228720 1137353643 /nfs/dbraw/zinc/35/36/43/1137353643.db2.gz IFNUOBGJLHEZEI-KRWDZBQOSA-N 1 2 342.446 3.869 20 30 EHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001171228720 1137353645 /nfs/dbraw/zinc/35/36/45/1137353645.db2.gz IFNUOBGJLHEZEI-KRWDZBQOSA-N 1 2 342.446 3.869 20 30 EHEDLO CC[C@@](C)(C#N)[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172215107 1137541669 /nfs/dbraw/zinc/54/16/69/1137541669.db2.gz IXFLLSFAWUUUAG-AVAKVYKDSA-N 1 2 348.874 3.975 20 30 EHEDLO Fc1ccc(C(F)(F)C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c(F)c1 ZINC000872108360 1137571666 /nfs/dbraw/zinc/57/16/66/1137571666.db2.gz ZFAJJPAJGWVIRD-SKDRFNHKSA-N 1 2 345.258 3.756 20 30 EHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC000876595522 1137656697 /nfs/dbraw/zinc/65/66/97/1137656697.db2.gz CJWQLHYPGAAEQL-UHFFFAOYSA-N 1 2 327.815 3.650 20 30 EHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c1 ZINC000127925718 1137755024 /nfs/dbraw/zinc/75/50/24/1137755024.db2.gz PXGOUSQHNDVNEE-UYAOXDASSA-N 1 2 346.434 3.970 20 30 EHEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000880033797 1137766063 /nfs/dbraw/zinc/76/60/63/1137766063.db2.gz KHCUOLZIRUIUJI-UHFFFAOYSA-N 1 2 339.826 3.728 20 30 EHEDLO CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC000880033797 1137766064 /nfs/dbraw/zinc/76/60/64/1137766064.db2.gz KHCUOLZIRUIUJI-UHFFFAOYSA-N 1 2 339.826 3.728 20 30 EHEDLO N#CC1(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CCCCC1 ZINC000882872071 1137836252 /nfs/dbraw/zinc/83/62/52/1137836252.db2.gz VIGAFZSKGSAPIE-GOSISDBHSA-N 1 2 336.439 3.605 20 30 EHEDLO C[C@H]1CN(c2ccc(NC3CCC(C)(C#N)CC3)c[nH+]2)C[C@H](C)O1 ZINC000332386181 1137942318 /nfs/dbraw/zinc/94/23/18/1137942318.db2.gz JICRSAYWMRGUQZ-RXDZZFBJSA-N 1 2 328.460 3.580 20 30 EHEDLO Cc1ccc2c(c1Br)C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000886287154 1138064447 /nfs/dbraw/zinc/06/44/47/1138064447.db2.gz LAFKBONOUJHDBH-AWEZNQCLSA-N 1 2 349.272 3.518 20 30 EHEDLO Cc1ccc2c(c1Br)C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC000886287154 1138064448 /nfs/dbraw/zinc/06/44/48/1138064448.db2.gz LAFKBONOUJHDBH-AWEZNQCLSA-N 1 2 349.272 3.518 20 30 EHEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000086233800 1138186365 /nfs/dbraw/zinc/18/63/65/1138186365.db2.gz HOPHMDLXDONXDW-LBPRGKRZSA-N 1 2 343.814 3.969 20 30 EHEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000086233800 1138186367 /nfs/dbraw/zinc/18/63/67/1138186367.db2.gz HOPHMDLXDONXDW-LBPRGKRZSA-N 1 2 343.814 3.969 20 30 EHEDLO C=CCC(CC=C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000126077027 1138322973 /nfs/dbraw/zinc/32/29/73/1138322973.db2.gz SJZJLBJDOVFPAF-UHFFFAOYSA-N 1 2 325.412 3.669 20 30 EHEDLO C=CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129121382 1138404973 /nfs/dbraw/zinc/40/49/73/1138404973.db2.gz CTZJKKYIVOBZDO-QAPCUYQASA-N 1 2 340.427 3.563 20 30 EHEDLO CC(C)[N@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000337136121 1138475875 /nfs/dbraw/zinc/47/58/75/1138475875.db2.gz MVPBXNNFSRXAPE-UHFFFAOYSA-N 1 2 331.423 3.550 20 30 EHEDLO CC(C)[N@@H+](Cc1ncnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000337136121 1138475876 /nfs/dbraw/zinc/47/58/76/1138475876.db2.gz MVPBXNNFSRXAPE-UHFFFAOYSA-N 1 2 331.423 3.550 20 30 EHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000175403894 1139487974 /nfs/dbraw/zinc/48/79/74/1139487974.db2.gz XDAAEBRXHDUPLB-ZAMGYDSWSA-N 1 2 330.428 3.628 20 30 EHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000175403894 1139487980 /nfs/dbraw/zinc/48/79/80/1139487980.db2.gz XDAAEBRXHDUPLB-ZAMGYDSWSA-N 1 2 330.428 3.628 20 30 EHEDLO CC(C)[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nc(C2CC2)no1 ZINC000179830420 1139786622 /nfs/dbraw/zinc/78/66/22/1139786622.db2.gz VTVCNGRTMQFMPH-MRXNPFEDSA-N 1 2 329.831 3.939 20 30 EHEDLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000186703343 1140217589 /nfs/dbraw/zinc/21/75/89/1140217589.db2.gz RMGJIPICTAARFC-UHFFFAOYSA-N 1 2 344.418 3.783 20 30 EHEDLO Cc1cc(C)c2c(c1)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000186703343 1140217592 /nfs/dbraw/zinc/21/75/92/1140217592.db2.gz RMGJIPICTAARFC-UHFFFAOYSA-N 1 2 344.418 3.783 20 30 EHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OCC)co1 ZINC000348881022 1141603033 /nfs/dbraw/zinc/60/30/33/1141603033.db2.gz WKBPVDJXWYFGDA-UHFFFAOYSA-N 1 2 345.443 3.812 20 30 EHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OCC)co1 ZINC000348881022 1141603034 /nfs/dbraw/zinc/60/30/34/1141603034.db2.gz WKBPVDJXWYFGDA-UHFFFAOYSA-N 1 2 345.443 3.812 20 30 EHEDLO N#Cc1ccccc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022779769 212323283 /nfs/dbraw/zinc/32/32/83/212323283.db2.gz AHBCDMZFRWIPOG-UHFFFAOYSA-N 1 2 325.843 3.529 20 30 EHEDLO N#Cc1ccccc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022779769 212323284 /nfs/dbraw/zinc/32/32/84/212323284.db2.gz AHBCDMZFRWIPOG-UHFFFAOYSA-N 1 2 325.843 3.529 20 30 EHEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000247053787 1016363089 /nfs/dbraw/zinc/36/30/89/1016363089.db2.gz ZKCZQVSTMNUKIS-VLIAUNLRSA-N 1 2 340.398 3.668 20 30 EHEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000247053787 1016363096 /nfs/dbraw/zinc/36/30/96/1016363096.db2.gz ZKCZQVSTMNUKIS-VLIAUNLRSA-N 1 2 340.398 3.668 20 30 EHEDLO Fc1ccc(C#CC[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000123638379 1016567670 /nfs/dbraw/zinc/56/76/70/1016567670.db2.gz ATTWQMAPZOPJPP-UHFFFAOYSA-N 1 2 339.254 3.994 20 30 EHEDLO Fc1ccc(C#CC[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000123638379 1016567683 /nfs/dbraw/zinc/56/76/83/1016567683.db2.gz ATTWQMAPZOPJPP-UHFFFAOYSA-N 1 2 339.254 3.994 20 30 EHEDLO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)c2nc(C)cs2)cc1 ZINC000340363803 1017037907 /nfs/dbraw/zinc/03/79/07/1017037907.db2.gz NMPQVHUAJMVWSG-INIZCTEOSA-N 1 2 327.453 3.783 20 30 EHEDLO CN(C)C(=O)c1cccc(CC/[NH+]=C\c2c(O)ccc3ccccc32)c1 ZINC000255075505 1017360028 /nfs/dbraw/zinc/36/00/28/1017360028.db2.gz VVBMMCVZNKCSGF-HAHDFKILSA-N 1 2 346.430 3.909 20 30 EHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C(C)(C)C)cs1 ZINC000580004164 1018021182 /nfs/dbraw/zinc/02/11/82/1018021182.db2.gz FZXFTFLEHHCRLH-UHFFFAOYSA-N 1 2 343.496 3.961 20 30 EHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(C(C)(C)C)cs1 ZINC000580004164 1018021193 /nfs/dbraw/zinc/02/11/93/1018021193.db2.gz FZXFTFLEHHCRLH-UHFFFAOYSA-N 1 2 343.496 3.961 20 30 EHEDLO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000015546981 1018755006 /nfs/dbraw/zinc/75/50/06/1018755006.db2.gz VKBCHCTYSYVEKA-MRXNPFEDSA-N 1 2 325.437 3.568 20 30 EHEDLO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000015546981 1018755017 /nfs/dbraw/zinc/75/50/17/1018755017.db2.gz VKBCHCTYSYVEKA-MRXNPFEDSA-N 1 2 325.437 3.568 20 30 EHEDLO CCOc1c(C[NH2+]Cc2ccc(C#N)cc2F)c(C)nn1CC(C)C ZINC000237049216 1018840096 /nfs/dbraw/zinc/84/00/96/1018840096.db2.gz LVOBNPIJPBAOOO-UHFFFAOYSA-N 1 2 344.434 3.547 20 30 EHEDLO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000449557215 1032801917 /nfs/dbraw/zinc/80/19/17/1032801917.db2.gz UZWRLYIKFXDXEL-MRXNPFEDSA-N 1 2 325.481 3.574 20 30 EHEDLO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000449557215 1032801936 /nfs/dbraw/zinc/80/19/36/1032801936.db2.gz UZWRLYIKFXDXEL-MRXNPFEDSA-N 1 2 325.481 3.574 20 30 EHEDLO C[C@H](c1ccco1)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000086235292 1019083907 /nfs/dbraw/zinc/08/39/07/1019083907.db2.gz BYKKDSFDLJWNLT-GFCCVEGCSA-N 1 2 343.814 3.969 20 30 EHEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000086235292 1019083915 /nfs/dbraw/zinc/08/39/15/1019083915.db2.gz BYKKDSFDLJWNLT-GFCCVEGCSA-N 1 2 343.814 3.969 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000473531733 1019855980 /nfs/dbraw/zinc/85/59/80/1019855980.db2.gz SZNOOVISMBJPSZ-AUUYWEPGSA-N 1 2 336.426 3.648 20 30 EHEDLO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000473531733 1019855999 /nfs/dbraw/zinc/85/59/99/1019855999.db2.gz SZNOOVISMBJPSZ-AUUYWEPGSA-N 1 2 336.426 3.648 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000127167796 1020593268 /nfs/dbraw/zinc/59/32/68/1020593268.db2.gz AGQKFTOYWOLZOJ-LPHOPBHVSA-N 1 2 326.440 3.772 20 30 EHEDLO Cc1cc2c(s1)N(c1cnc(CC#N)nc1)c1ccccc1NC2=[NH2+] ZINC001167463423 1020920653 /nfs/dbraw/zinc/92/06/53/1020920653.db2.gz PMPAZCDAAUINDA-UHFFFAOYSA-N 1 2 346.419 3.733 20 30 EHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000134624078 1021697515 /nfs/dbraw/zinc/69/75/15/1021697515.db2.gz WKPWRFMVVBAMKK-GUYCJALGSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000134624078 1021697518 /nfs/dbraw/zinc/69/75/18/1021697518.db2.gz WKPWRFMVVBAMKK-GUYCJALGSA-N 1 2 347.434 3.575 20 30 EHEDLO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000188424423 1022230423 /nfs/dbraw/zinc/23/04/23/1022230423.db2.gz OCBYHRNYWGWNHN-KRWDZBQOSA-N 1 2 333.819 3.693 20 30 EHEDLO O=C(NCC1CC(c2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328719593 1022461660 /nfs/dbraw/zinc/46/16/60/1022461660.db2.gz VSJHLOGLBRAGGO-UHFFFAOYSA-N 1 2 338.455 3.697 20 30 EHEDLO O=C(NCC1CC(c2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328719593 1022461667 /nfs/dbraw/zinc/46/16/67/1022461667.db2.gz VSJHLOGLBRAGGO-UHFFFAOYSA-N 1 2 338.455 3.697 20 30 EHEDLO C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000328702740 1022471643 /nfs/dbraw/zinc/47/16/43/1022471643.db2.gz JSRKEEWHBKMVAS-ZWQIFLOQSA-N 1 2 338.455 3.804 20 30 EHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)n2)C1 ZINC000328908178 1022542497 /nfs/dbraw/zinc/54/24/97/1022542497.db2.gz CSCYDWUEDQGMMY-HZSPNIEDSA-N 1 2 349.500 3.968 20 30 EHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)n2)C1 ZINC000328908178 1022542514 /nfs/dbraw/zinc/54/25/14/1022542514.db2.gz CSCYDWUEDQGMMY-HZSPNIEDSA-N 1 2 349.500 3.968 20 30 EHEDLO CC(=O)N(c1nc(C[NH2+]CC(C)(C)CC#N)cs1)c1ccccc1 ZINC000602692600 1033071950 /nfs/dbraw/zinc/07/19/50/1033071950.db2.gz WKQPDNFIAMKAKR-UHFFFAOYSA-N 1 2 342.468 3.857 20 30 EHEDLO N#Cc1ccc(Br)c(C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000894827342 1023111761 /nfs/dbraw/zinc/11/17/61/1023111761.db2.gz ABJQWADUGWRMBW-UHFFFAOYSA-N 1 2 333.151 3.705 20 30 EHEDLO CC(C)c1ccc([C@H](NC(=O)C[NH+]2CCC(C#N)CC2)C(C)C)cc1 ZINC000057906608 1023299446 /nfs/dbraw/zinc/29/94/46/1023299446.db2.gz UXXZWEYWVAVSDY-OAQYLSRUSA-N 1 2 341.499 3.859 20 30 EHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)N[C@@H](C#N)Cc2ccccc2)c(C)c1 ZINC000610998800 1024019118 /nfs/dbraw/zinc/01/91/18/1024019118.db2.gz DWCVQEOINOIZIJ-IFMALSPDSA-N 1 2 344.462 3.966 20 30 EHEDLO C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C[C@H]1n1cc[nH+]c1 ZINC000574702463 1024185440 /nfs/dbraw/zinc/18/54/40/1024185440.db2.gz KCIJSVSEXLEDHI-CRAIPNDOSA-N 1 2 349.482 3.851 20 30 EHEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@@H]1CCCOCC1 ZINC000329884202 1024235294 /nfs/dbraw/zinc/23/52/94/1024235294.db2.gz SDQLLWZGYWTEFV-QGZVFWFLSA-N 1 2 331.460 3.735 20 30 EHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330126421 1024326153 /nfs/dbraw/zinc/32/61/53/1024326153.db2.gz MIZWHBFCHIXLDO-ABSDTBQOSA-N 1 2 346.471 3.550 20 30 EHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330126421 1024326169 /nfs/dbraw/zinc/32/61/69/1024326169.db2.gz MIZWHBFCHIXLDO-ABSDTBQOSA-N 1 2 346.471 3.550 20 30 EHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000346146486 1024447865 /nfs/dbraw/zinc/44/78/65/1024447865.db2.gz BRBUSAFEFHCKLR-UONOGXRCSA-N 1 2 335.386 3.690 20 30 EHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CCCCC2)CC1 ZINC000434843093 1024451453 /nfs/dbraw/zinc/45/14/53/1024451453.db2.gz NPLXRPWCSPCHDS-GOSISDBHSA-N 1 2 326.440 3.819 20 30 EHEDLO C[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000602865718 1033217226 /nfs/dbraw/zinc/21/72/26/1033217226.db2.gz XNVTVEOXQKZWFI-RKDXNWHRSA-N 1 2 333.741 3.578 20 30 EHEDLO N#Cc1cc(C[N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cs1 ZINC000895587079 1024634644 /nfs/dbraw/zinc/63/46/44/1024634644.db2.gz HJSATOBVZDFCRU-IBGZPJMESA-N 1 2 338.432 3.620 20 30 EHEDLO N#Cc1cc(C[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cs1 ZINC000895587079 1024634653 /nfs/dbraw/zinc/63/46/53/1024634653.db2.gz HJSATOBVZDFCRU-IBGZPJMESA-N 1 2 338.432 3.620 20 30 EHEDLO N#Cc1ccc(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)nc1 ZINC000602906959 1033239341 /nfs/dbraw/zinc/23/93/41/1033239341.db2.gz JBHZRHSORZSXAO-UHFFFAOYSA-N 1 2 336.826 3.858 20 30 EHEDLO N#CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000548628781 1024877252 /nfs/dbraw/zinc/87/72/52/1024877252.db2.gz UCTGGLPNMZUOON-LJQANCHMSA-N 1 2 328.362 3.604 20 30 EHEDLO N#CCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000548628781 1024877267 /nfs/dbraw/zinc/87/72/67/1024877267.db2.gz UCTGGLPNMZUOON-LJQANCHMSA-N 1 2 328.362 3.604 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000097060014 1024983868 /nfs/dbraw/zinc/98/38/68/1024983868.db2.gz WWLOCJQECPXLLC-AWEZNQCLSA-N 1 2 338.879 3.594 20 30 EHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000097060014 1024983881 /nfs/dbraw/zinc/98/38/81/1024983881.db2.gz WWLOCJQECPXLLC-AWEZNQCLSA-N 1 2 338.879 3.594 20 30 EHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1cccs1 ZINC000019540397 1025174087 /nfs/dbraw/zinc/17/40/87/1025174087.db2.gz DODYUCHDVWCJJP-UHFFFAOYSA-N 1 2 330.453 3.692 20 30 EHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1cccs1 ZINC000019540397 1025174099 /nfs/dbraw/zinc/17/40/99/1025174099.db2.gz DODYUCHDVWCJJP-UHFFFAOYSA-N 1 2 330.453 3.692 20 30 EHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342432132 1025422976 /nfs/dbraw/zinc/42/29/76/1025422976.db2.gz SVXZUXXGBYLSMQ-UHFFFAOYSA-N 1 2 342.402 3.572 20 30 EHEDLO N#CC1CCC(CNc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000281730911 1025428651 /nfs/dbraw/zinc/42/86/51/1025428651.db2.gz WDSRGFPUSXYUCQ-UHFFFAOYSA-N 1 2 332.411 3.557 20 30 EHEDLO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000046518966 1033286714 /nfs/dbraw/zinc/28/67/14/1033286714.db2.gz QEIJBAJCOZXFEE-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000046518966 1033286726 /nfs/dbraw/zinc/28/67/26/1033286726.db2.gz QEIJBAJCOZXFEE-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000896506390 1025508502 /nfs/dbraw/zinc/50/85/02/1025508502.db2.gz SJBOOEPTNIGFCY-LBPRGKRZSA-N 1 2 334.345 3.831 20 30 EHEDLO N#C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000896506390 1025508517 /nfs/dbraw/zinc/50/85/17/1025508517.db2.gz SJBOOEPTNIGFCY-LBPRGKRZSA-N 1 2 334.345 3.831 20 30 EHEDLO C=CCCn1cc(C[NH2+][C@@H](Cc2ccc(C)cc2)c2ccccn2)nn1 ZINC000657364144 1025509633 /nfs/dbraw/zinc/50/96/33/1025509633.db2.gz TXUZOLQEDZZZMK-NRFANRHFSA-N 1 2 347.466 3.631 20 30 EHEDLO CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2cc(C#N)cs2)cc1 ZINC000119988202 1025594483 /nfs/dbraw/zinc/59/44/83/1025594483.db2.gz KPFFIBHYCUSBJW-AWEZNQCLSA-N 1 2 341.480 3.621 20 30 EHEDLO CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2cc(C#N)cs2)cc1 ZINC000119988202 1025594486 /nfs/dbraw/zinc/59/44/86/1025594486.db2.gz KPFFIBHYCUSBJW-AWEZNQCLSA-N 1 2 341.480 3.621 20 30 EHEDLO CC(C)c1csc([C@H](C#N)C(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000436694621 1026054010 /nfs/dbraw/zinc/05/40/10/1026054010.db2.gz BGZSLLGRVFXMAY-OAHLLOKOSA-N 1 2 327.453 3.818 20 30 EHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1[C@H](C)C[C@H]1C ZINC000548754373 1027003641 /nfs/dbraw/zinc/00/36/41/1027003641.db2.gz CATDKGQGLADULT-JHJVBQTASA-N 1 2 331.485 3.698 20 30 EHEDLO C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000268226395 1027218686 /nfs/dbraw/zinc/21/86/86/1027218686.db2.gz DLUZAUYIPPWEIK-MLGOLLRUSA-N 1 2 334.345 3.861 20 30 EHEDLO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cnn(Cc2ccccc2)c1 ZINC000428349985 1027268061 /nfs/dbraw/zinc/26/80/61/1027268061.db2.gz CJULBBSHZRITBF-OAHLLOKOSA-N 1 2 334.398 3.793 20 30 EHEDLO C=C(C)C(=O)OCCNc1[nH+]ccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001168070536 1027582773 /nfs/dbraw/zinc/58/27/73/1027582773.db2.gz GDFYKOLQIVECIJ-UHFFFAOYSA-N 1 2 339.370 3.900 20 30 EHEDLO CCOc1ccc(-c2noc(C[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026329269 1027762517 /nfs/dbraw/zinc/76/25/17/1027762517.db2.gz YXRYHZZIIMUOEX-UHFFFAOYSA-N 1 2 348.406 3.639 20 30 EHEDLO CCOc1ccc(-c2noc(C[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026329269 1027762532 /nfs/dbraw/zinc/76/25/32/1027762532.db2.gz YXRYHZZIIMUOEX-UHFFFAOYSA-N 1 2 348.406 3.639 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347342715 1027987929 /nfs/dbraw/zinc/98/79/29/1027987929.db2.gz FLWZYSNRCJMRSC-KBXCAEBGSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347342715 1027987949 /nfs/dbraw/zinc/98/79/49/1027987949.db2.gz FLWZYSNRCJMRSC-KBXCAEBGSA-N 1 2 342.439 3.698 20 30 EHEDLO N#Cc1ccccc1CNc1[nH]c2ccc(Br)cc2[nH+]1 ZINC001167636091 1028200592 /nfs/dbraw/zinc/20/05/92/1028200592.db2.gz WEPAVRMHKKKCIC-UHFFFAOYSA-N 1 2 327.185 3.809 20 30 EHEDLO N#Cc1ccccc1CNc1[nH]c2cc(Br)ccc2[nH+]1 ZINC001167636091 1028200607 /nfs/dbraw/zinc/20/06/07/1028200607.db2.gz WEPAVRMHKKKCIC-UHFFFAOYSA-N 1 2 327.185 3.809 20 30 EHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000444801584 1028273304 /nfs/dbraw/zinc/27/33/04/1028273304.db2.gz LHXPKJVSGAVIDY-IEBWSBKVSA-N 1 2 345.874 3.675 20 30 EHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000444801584 1028273335 /nfs/dbraw/zinc/27/33/35/1028273335.db2.gz LHXPKJVSGAVIDY-IEBWSBKVSA-N 1 2 345.874 3.675 20 30 EHEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Br)cc1Cl ZINC000548788263 1029017396 /nfs/dbraw/zinc/01/73/96/1029017396.db2.gz AWBWXXXWPSXMLC-SNVBAGLBSA-N 1 2 326.625 3.636 20 30 EHEDLO CCN(CCC#N)C(=O)C[N@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000077330308 1029103855 /nfs/dbraw/zinc/10/38/55/1029103855.db2.gz UZUSULFSIIZMSD-CQSZACIVSA-N 1 2 333.863 3.628 20 30 EHEDLO CCN(CCC#N)C(=O)C[N@@H+]([C@H](C)c1ccccc1Cl)C1CC1 ZINC000077330308 1029103862 /nfs/dbraw/zinc/10/38/62/1029103862.db2.gz UZUSULFSIIZMSD-CQSZACIVSA-N 1 2 333.863 3.628 20 30 EHEDLO N#Cc1ccc(Oc2ccc(-c3noc(C[NH+]4CCC4)n3)cc2)cc1 ZINC001212093370 1029393261 /nfs/dbraw/zinc/39/32/61/1029393261.db2.gz SMODFELKABXDQQ-UHFFFAOYSA-N 1 2 332.363 3.606 20 30 EHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000505282516 1029436873 /nfs/dbraw/zinc/43/68/73/1029436873.db2.gz APWUPEOGYJMYFQ-NYPGBQQYSA-N 1 2 335.426 3.721 20 30 EHEDLO CC(C)n1ncc2cc(C[NH+]3CCC(C)(C#N)CC3)c(Cl)nc21 ZINC000272497391 1029484690 /nfs/dbraw/zinc/48/46/90/1029484690.db2.gz GDAPCCSNIJNAPQ-UHFFFAOYSA-N 1 2 331.851 3.791 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC000272061287 1029805035 /nfs/dbraw/zinc/80/50/35/1029805035.db2.gz SCYOEPMIKWOPPZ-UHFFFAOYSA-N 1 2 334.217 3.650 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2ccccc2Br)o1)C1CC1 ZINC000272061287 1029805043 /nfs/dbraw/zinc/80/50/43/1029805043.db2.gz SCYOEPMIKWOPPZ-UHFFFAOYSA-N 1 2 334.217 3.650 20 30 EHEDLO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nc(-c2cccc(F)c2)no1 ZINC000237588130 1030002288 /nfs/dbraw/zinc/00/22/88/1030002288.db2.gz AFXILHWGGSKGMT-JTQLQIEISA-N 1 2 328.372 3.660 20 30 EHEDLO Fc1cccnc1OC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000447352713 1030129433 /nfs/dbraw/zinc/12/94/33/1030129433.db2.gz BDPCISCXQMOARS-UHFFFAOYSA-N 1 2 344.817 3.769 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000092975619 1030542063 /nfs/dbraw/zinc/54/20/63/1030542063.db2.gz WNABXDQWNYIFRX-YWZLYKJASA-N 1 2 340.398 3.690 20 30 EHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000092975619 1030542075 /nfs/dbraw/zinc/54/20/75/1030542075.db2.gz WNABXDQWNYIFRX-YWZLYKJASA-N 1 2 340.398 3.690 20 30 EHEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1OC ZINC000093841895 1030683410 /nfs/dbraw/zinc/68/34/10/1030683410.db2.gz MSIKENAJRISMRF-FQEVSTJZSA-N 1 2 343.423 3.817 20 30 EHEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)ccc1OC ZINC000093841895 1030683423 /nfs/dbraw/zinc/68/34/23/1030683423.db2.gz MSIKENAJRISMRF-FQEVSTJZSA-N 1 2 343.423 3.817 20 30 EHEDLO C=CCC[C@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccccc1 ZINC000347439359 1031578155 /nfs/dbraw/zinc/57/81/55/1031578155.db2.gz XOEGTCIGIUIWMZ-MOPGFXCFSA-N 1 2 337.467 3.876 20 30 EHEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000484683363 1031871641 /nfs/dbraw/zinc/87/16/41/1031871641.db2.gz WHTCDBCBDQSBAH-IBGZPJMESA-N 1 2 342.414 3.640 20 30 EHEDLO C=CC[N@H+](CCOC)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000484683363 1031871650 /nfs/dbraw/zinc/87/16/50/1031871650.db2.gz WHTCDBCBDQSBAH-IBGZPJMESA-N 1 2 342.414 3.640 20 30 EHEDLO N#CCCC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000568622828 1031905803 /nfs/dbraw/zinc/90/58/03/1031905803.db2.gz HLMGJANZZVKVFB-UHFFFAOYSA-N 1 2 330.819 3.505 20 30 EHEDLO COc1ccc(C(N)=[NH+]OCc2csc(-c3cccs3)n2)cc1 ZINC000063455791 1033322905 /nfs/dbraw/zinc/32/29/05/1033322905.db2.gz AMVSUZUMYSBLNS-UHFFFAOYSA-N 1 2 345.449 3.717 20 30 EHEDLO N#CC1(c2ccccc2F)CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142534781 1033345258 /nfs/dbraw/zinc/34/52/58/1033345258.db2.gz WNPUGBQZZROZME-UHFFFAOYSA-N 1 2 346.352 3.867 20 30 EHEDLO CC(C)(C#N)c1ccc(C[NH2+]Cc2nc(-c3ccccc3)no2)cc1 ZINC000594613987 1033478442 /nfs/dbraw/zinc/47/84/42/1033478442.db2.gz XMHSCHLDHIZXFF-UHFFFAOYSA-N 1 2 332.407 3.828 20 30 EHEDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cs1 ZINC000594933009 1033582719 /nfs/dbraw/zinc/58/27/19/1033582719.db2.gz XEBFMNCKERUJQT-CYBMUJFWSA-N 1 2 327.453 3.695 20 30 EHEDLO COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)cs2)ccc1O ZINC000595619999 1033904375 /nfs/dbraw/zinc/90/43/75/1033904375.db2.gz IZEWVGDBQQTRQT-ZDUSSCGKSA-N 1 2 343.452 3.650 20 30 EHEDLO COc1cc(-c2nc(C[N@H+]3CCC[C@@H](CC#N)C3)cs2)ccc1O ZINC000595619999 1033904384 /nfs/dbraw/zinc/90/43/84/1033904384.db2.gz IZEWVGDBQQTRQT-ZDUSSCGKSA-N 1 2 343.452 3.650 20 30 EHEDLO Cc1cccc(-c2noc(C[NH2+]C(C)(C)c3cccc(C#N)c3)n2)c1 ZINC000595634829 1033910428 /nfs/dbraw/zinc/91/04/28/1033910428.db2.gz FFVXFTBQDLHKON-UHFFFAOYSA-N 1 2 332.407 3.942 20 30 EHEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000450317578 1034101818 /nfs/dbraw/zinc/10/18/18/1034101818.db2.gz TZTGERIEBFCNQS-ROUUACIJSA-N 1 2 348.437 3.963 20 30 EHEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCCC1 ZINC000450317578 1034101830 /nfs/dbraw/zinc/10/18/30/1034101830.db2.gz TZTGERIEBFCNQS-ROUUACIJSA-N 1 2 348.437 3.963 20 30 EHEDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cccc(C#N)c2)c1O ZINC000171137290 1034135469 /nfs/dbraw/zinc/13/54/69/1034135469.db2.gz OBMQZJYDGUFIAU-UHFFFAOYSA-N 1 2 328.799 3.752 20 30 EHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(F)ccc(F)c3Cl)C2)nc1 ZINC000529578765 1034210308 /nfs/dbraw/zinc/21/03/08/1034210308.db2.gz PQMHKAWKVNBHAM-GFCCVEGCSA-N 1 2 349.768 3.538 20 30 EHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)ccc(F)c3Cl)C2)nc1 ZINC000529578765 1034210325 /nfs/dbraw/zinc/21/03/25/1034210325.db2.gz PQMHKAWKVNBHAM-GFCCVEGCSA-N 1 2 349.768 3.538 20 30 EHEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000597231981 1034613265 /nfs/dbraw/zinc/61/32/65/1034613265.db2.gz PZQMAXDPFZKATO-INIZCTEOSA-N 1 2 334.345 3.831 20 30 EHEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000597231981 1034613277 /nfs/dbraw/zinc/61/32/77/1034613277.db2.gz PZQMAXDPFZKATO-INIZCTEOSA-N 1 2 334.345 3.831 20 30 EHEDLO CN(C)c1cc[nH+]c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 ZINC000612345927 1034820242 /nfs/dbraw/zinc/82/02/42/1034820242.db2.gz NUTWVWQLCAQDBE-UHFFFAOYSA-N 1 2 342.402 3.939 20 30 EHEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000065959664 1035030651 /nfs/dbraw/zinc/03/06/51/1035030651.db2.gz MCWFNEHIEQKNCO-UHFFFAOYSA-N 1 2 341.455 3.641 20 30 EHEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000065959664 1035030658 /nfs/dbraw/zinc/03/06/58/1035030658.db2.gz MCWFNEHIEQKNCO-UHFFFAOYSA-N 1 2 341.455 3.641 20 30 EHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613426178 1035825811 /nfs/dbraw/zinc/82/58/11/1035825811.db2.gz BEKPLEOYZJFOCR-INIZCTEOSA-N 1 2 349.482 3.529 20 30 EHEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000189882619 1036141298 /nfs/dbraw/zinc/14/12/98/1036141298.db2.gz BYEIJSHLUGUCGG-IRXDYDNUSA-N 1 2 334.410 3.573 20 30 EHEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000189882619 1036141303 /nfs/dbraw/zinc/14/13/03/1036141303.db2.gz BYEIJSHLUGUCGG-IRXDYDNUSA-N 1 2 334.410 3.573 20 30 EHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnn(Cc2ccccc2)c1 ZINC000760252710 1037006844 /nfs/dbraw/zinc/00/68/44/1037006844.db2.gz JDZXZKRZMGPRCA-UHFFFAOYSA-N 1 2 341.418 3.738 20 30 EHEDLO Cc1cccc2c1ncc(C#N)c2N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000610726509 1037064185 /nfs/dbraw/zinc/06/41/85/1037064185.db2.gz ZQHNSBWDQDVXJB-KDOFPFPSSA-N 1 2 331.423 3.699 20 30 EHEDLO CCC[N@H+](Cc1ccc(OC)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590951627 1037140094 /nfs/dbraw/zinc/14/00/94/1037140094.db2.gz OWHQAYHATKVVEG-UHFFFAOYSA-N 1 2 339.395 3.887 20 30 EHEDLO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590951627 1037140101 /nfs/dbraw/zinc/14/01/01/1037140101.db2.gz OWHQAYHATKVVEG-UHFFFAOYSA-N 1 2 339.395 3.887 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1OC)c1ccc(Cl)cc1 ZINC000491657473 1037606295 /nfs/dbraw/zinc/60/62/95/1037606295.db2.gz UTMWAXWUEKTRPQ-MRXNPFEDSA-N 1 2 345.826 3.830 20 30 EHEDLO Cc1ccccc1-n1cc(CNc2[nH+]cccc2OCCCC#N)cn1 ZINC000592458959 1037992783 /nfs/dbraw/zinc/99/27/83/1037992783.db2.gz XAQQFIWQOAZBQM-UHFFFAOYSA-N 1 2 347.422 3.870 20 30 EHEDLO CC(C)(C#N)C[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000592507618 1038016023 /nfs/dbraw/zinc/01/60/23/1038016023.db2.gz UFKKBASINHODLS-UHFFFAOYSA-N 1 2 333.176 3.690 20 30 EHEDLO Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)n2c1 ZINC000538728617 1038495808 /nfs/dbraw/zinc/49/58/08/1038495808.db2.gz LRYDRKKVVCRAGO-WOJBJXKFSA-N 1 2 330.435 3.915 20 30 EHEDLO Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3[C@H](C#N)c3ccccc3)n2c1 ZINC000538728617 1038495812 /nfs/dbraw/zinc/49/58/12/1038495812.db2.gz LRYDRKKVVCRAGO-WOJBJXKFSA-N 1 2 330.435 3.915 20 30 EHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(OC)ccc1OC ZINC000512378834 1038934473 /nfs/dbraw/zinc/93/44/73/1038934473.db2.gz BTECSYLSXDUUMA-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(OC)ccc1OC ZINC000512378834 1038934483 /nfs/dbraw/zinc/93/44/83/1038934483.db2.gz BTECSYLSXDUUMA-UHFFFAOYSA-N 1 2 342.395 3.800 20 30 EHEDLO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000015445904 1039553400 /nfs/dbraw/zinc/55/34/00/1039553400.db2.gz MVDJHRWZIQTVGY-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000015445904 1039553419 /nfs/dbraw/zinc/55/34/19/1039553419.db2.gz MVDJHRWZIQTVGY-UHFFFAOYSA-N 1 2 347.340 3.648 20 30 EHEDLO Cc1cc(C)cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043274897 1039629522 /nfs/dbraw/zinc/62/95/22/1039629522.db2.gz CGAADHRHCNVMOE-UHFFFAOYSA-N 1 2 348.450 3.525 20 30 EHEDLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000490016758 1040311180 /nfs/dbraw/zinc/31/11/80/1040311180.db2.gz AHIVBXUXMICXSD-UHFFFAOYSA-N 1 2 340.398 3.653 20 30 EHEDLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000490016758 1040311193 /nfs/dbraw/zinc/31/11/93/1040311193.db2.gz AHIVBXUXMICXSD-UHFFFAOYSA-N 1 2 340.398 3.653 20 30 EHEDLO Cc1cccn2cc(C[S@@](=O)CCCCC3(C#N)CCC3)[nH+]c12 ZINC000899395570 1040437228 /nfs/dbraw/zinc/43/72/28/1040437228.db2.gz SYQGSSZVQXPUHK-QHCPKHFHSA-N 1 2 329.469 3.756 20 30 EHEDLO C[N@H+](Cc1nc2ccccc2n1C(F)F)Cc1cccc(C#N)c1 ZINC000046856653 1041003083 /nfs/dbraw/zinc/00/30/83/1041003083.db2.gz CUKWAQOZSJGLQZ-UHFFFAOYSA-N 1 2 326.350 3.935 20 30 EHEDLO C[N@@H+](Cc1nc2ccccc2n1C(F)F)Cc1cccc(C#N)c1 ZINC000046856653 1041003092 /nfs/dbraw/zinc/00/30/92/1041003092.db2.gz CUKWAQOZSJGLQZ-UHFFFAOYSA-N 1 2 326.350 3.935 20 30 EHEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000570941039 1041121180 /nfs/dbraw/zinc/12/11/80/1041121180.db2.gz ZHNPNYDQCKXYRY-ONGXEEELSA-N 1 2 347.768 3.968 20 30 EHEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000055171718 1041140454 /nfs/dbraw/zinc/14/04/54/1041140454.db2.gz ZPZHNXFHSXLGNX-UHFFFAOYSA-N 1 2 345.899 3.981 20 30 EHEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000055171718 1041140461 /nfs/dbraw/zinc/14/04/61/1041140461.db2.gz ZPZHNXFHSXLGNX-UHFFFAOYSA-N 1 2 345.899 3.981 20 30 EHEDLO C[C@@H]1CN(c2ccc(N[C@H]3CCc4ccc(C#N)cc43)c[nH+]2)C[C@@H](C)O1 ZINC000566767703 1041342116 /nfs/dbraw/zinc/34/21/16/1041342116.db2.gz OTXFFEXPPOKRNC-SXGZJXTBSA-N 1 2 348.450 3.666 20 30 EHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661150682 1041970413 /nfs/dbraw/zinc/97/04/13/1041970413.db2.gz QMXQFIRPZRDKGZ-QGZVFWFLSA-N 1 2 339.439 3.555 20 30 EHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccco1 ZINC000661150682 1041970420 /nfs/dbraw/zinc/97/04/20/1041970420.db2.gz QMXQFIRPZRDKGZ-QGZVFWFLSA-N 1 2 339.439 3.555 20 30 EHEDLO C=CC[N@@H+](Cc1nnc(-c2cc(C)c(CC)s2)o1)[C@@H](C)COC ZINC000661247335 1042031011 /nfs/dbraw/zinc/03/10/11/1042031011.db2.gz PPVCLNNRPJODJB-ZDUSSCGKSA-N 1 2 335.473 3.692 20 30 EHEDLO C=CC[N@H+](Cc1nnc(-c2cc(C)c(CC)s2)o1)[C@@H](C)COC ZINC000661247335 1042031018 /nfs/dbraw/zinc/03/10/18/1042031018.db2.gz PPVCLNNRPJODJB-ZDUSSCGKSA-N 1 2 335.473 3.692 20 30 EHEDLO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595713148 1042223184 /nfs/dbraw/zinc/22/31/84/1042223184.db2.gz PQADGUUHYLXMQQ-GFCCVEGCSA-N 1 2 326.366 3.962 20 30 EHEDLO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000595713148 1042223186 /nfs/dbraw/zinc/22/31/86/1042223186.db2.gz PQADGUUHYLXMQQ-GFCCVEGCSA-N 1 2 326.366 3.962 20 30 EHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000512203395 1044145093 /nfs/dbraw/zinc/14/50/93/1044145093.db2.gz OVEOUMJWYSUCSB-CQSZACIVSA-N 1 2 330.384 3.819 20 30 EHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000512203395 1044145096 /nfs/dbraw/zinc/14/50/96/1044145096.db2.gz OVEOUMJWYSUCSB-CQSZACIVSA-N 1 2 330.384 3.819 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000154180866 1125700199 /nfs/dbraw/zinc/70/01/99/1125700199.db2.gz GNMQKEJZJVEMIQ-PMACEKPBSA-N 1 2 331.419 3.839 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000154180866 1125700205 /nfs/dbraw/zinc/70/02/05/1125700205.db2.gz GNMQKEJZJVEMIQ-PMACEKPBSA-N 1 2 331.419 3.839 20 30 EHEDLO Cc1c(O)ccc2c(C[N@@H+](CCC#N)CCC(C)C)cc(=O)oc12 ZINC000072691585 1126855469 /nfs/dbraw/zinc/85/54/69/1126855469.db2.gz OULXXRBJRNVINT-UHFFFAOYSA-N 1 2 328.412 3.569 20 30 EHEDLO C#CC[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C1CC1 ZINC000763960336 1126989102 /nfs/dbraw/zinc/98/91/02/1126989102.db2.gz MOTZXJPRBHCUCE-UHFFFAOYSA-N 1 2 331.213 3.702 20 30 EHEDLO C#CC[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)C1CC1 ZINC000763960336 1126989103 /nfs/dbraw/zinc/98/91/03/1126989103.db2.gz MOTZXJPRBHCUCE-UHFFFAOYSA-N 1 2 331.213 3.702 20 30 EHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@@H](C)C2)c1=S ZINC000764960923 1127559292 /nfs/dbraw/zinc/55/92/92/1127559292.db2.gz CFNHKTNEQGYTMC-OAHLLOKOSA-N 1 2 328.485 3.875 20 30 EHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@@H](C)C2)c1=S ZINC000764960923 1127559295 /nfs/dbraw/zinc/55/92/95/1127559295.db2.gz CFNHKTNEQGYTMC-OAHLLOKOSA-N 1 2 328.485 3.875 20 30 EHEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921667166 1128446828 /nfs/dbraw/zinc/44/68/28/1128446828.db2.gz CNGSQCAHOJTQEV-IRXDYDNUSA-N 1 2 325.412 3.613 20 30 EHEDLO N#Cc1ccccc1OCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554307178 1128637872 /nfs/dbraw/zinc/63/78/72/1128637872.db2.gz IAVNCKJGGKVVLZ-UHFFFAOYSA-N 1 2 331.419 3.798 20 30 EHEDLO N#Cc1ccccc1OCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000554307178 1128637875 /nfs/dbraw/zinc/63/78/75/1128637875.db2.gz IAVNCKJGGKVVLZ-UHFFFAOYSA-N 1 2 331.419 3.798 20 30 EHEDLO CC(C)c1cc(C[NH2+]Cc2cc(C#N)ccc2Br)on1 ZINC000921740840 1128706721 /nfs/dbraw/zinc/70/67/21/1128706721.db2.gz OQHAUDIXGRITJY-UHFFFAOYSA-N 1 2 334.217 3.722 20 30 EHEDLO C=C(C)[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000185457746 1120415106 /nfs/dbraw/zinc/41/51/06/1120415106.db2.gz SGSDACDYOAOCQB-KRWDZBQOSA-N 1 2 348.397 3.510 20 30 EHEDLO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000112599220 1128932594 /nfs/dbraw/zinc/93/25/94/1128932594.db2.gz KKYQMDLFGJUELY-GFCCVEGCSA-N 1 2 343.814 3.549 20 30 EHEDLO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000112599220 1128932597 /nfs/dbraw/zinc/93/25/97/1128932597.db2.gz KKYQMDLFGJUELY-GFCCVEGCSA-N 1 2 343.814 3.549 20 30 EHEDLO N#Cc1sccc1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001127298889 1120789500 /nfs/dbraw/zinc/78/95/00/1120789500.db2.gz KSOKMTMDNQFYHR-UHFFFAOYSA-N 1 2 346.415 3.787 20 30 EHEDLO CCO[C@@H](C)c1noc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000076720323 1128944823 /nfs/dbraw/zinc/94/48/23/1128944823.db2.gz YQTGQZBVHGZMGT-KBPBESRZSA-N 1 2 328.416 3.622 20 30 EHEDLO CCO[C@@H](C)c1noc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000076720323 1128944825 /nfs/dbraw/zinc/94/48/25/1128944825.db2.gz YQTGQZBVHGZMGT-KBPBESRZSA-N 1 2 328.416 3.622 20 30 EHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000914701713 1120956285 /nfs/dbraw/zinc/95/62/85/1120956285.db2.gz NNKYKFISUBLFRP-DEDYPNTBSA-N 1 2 339.395 3.515 20 30 EHEDLO CC[N@H+](Cc1ccccc1Cl)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000153580532 1121362862 /nfs/dbraw/zinc/36/28/62/1121362862.db2.gz SWVGTSFDPUVQDL-KDOFPFPSSA-N 1 2 335.879 3.605 20 30 EHEDLO CC[N@@H+](Cc1ccccc1Cl)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000153580532 1121362870 /nfs/dbraw/zinc/36/28/70/1121362870.db2.gz SWVGTSFDPUVQDL-KDOFPFPSSA-N 1 2 335.879 3.605 20 30 EHEDLO Cc1ccc2ncc(C#N)c(NCc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000488089126 1122095471 /nfs/dbraw/zinc/09/54/71/1122095471.db2.gz MILMEDKVHGSBQZ-UHFFFAOYSA-N 1 2 339.402 3.635 20 30 EHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000496618252 1122135853 /nfs/dbraw/zinc/13/58/53/1122135853.db2.gz PUSCSLVJKDQDFN-DZGCQCFKSA-N 1 2 347.434 3.575 20 30 EHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000496618252 1122135856 /nfs/dbraw/zinc/13/58/56/1122135856.db2.gz PUSCSLVJKDQDFN-DZGCQCFKSA-N 1 2 347.434 3.575 20 30 EHEDLO Cc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000609989239 1123713210 /nfs/dbraw/zinc/71/32/10/1123713210.db2.gz LTYOKXCLKCAIQF-UHFFFAOYSA-N 1 2 328.375 3.680 20 30 EHEDLO Cc1ccccc1C(N)=[NH+]OCc1cc(Cl)ccc1OCC#N ZINC000735303951 1131329707 /nfs/dbraw/zinc/32/97/07/1131329707.db2.gz CUEMGYBZWQXQFE-UHFFFAOYSA-N 1 2 329.787 3.598 20 30 EHEDLO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000081731464 1129441075 /nfs/dbraw/zinc/44/10/75/1129441075.db2.gz MXOLACILUJZFRI-UHFFFAOYSA-N 1 2 345.406 3.818 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134280787 1129989487 /nfs/dbraw/zinc/98/94/87/1129989487.db2.gz PJHGNEVNMMKIFU-UHFFFAOYSA-N 1 2 332.806 3.735 20 30 EHEDLO N#Cc1cc(F)ccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134280787 1129989491 /nfs/dbraw/zinc/98/94/91/1129989491.db2.gz PJHGNEVNMMKIFU-UHFFFAOYSA-N 1 2 332.806 3.735 20 30 EHEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000245433229 1130205780 /nfs/dbraw/zinc/20/57/80/1130205780.db2.gz PCLXAZFLQXHVDN-ORAYPTAESA-N 1 2 339.826 3.843 20 30 EHEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@H]1c1ccccc1 ZINC000245433229 1130205782 /nfs/dbraw/zinc/20/57/82/1130205782.db2.gz PCLXAZFLQXHVDN-ORAYPTAESA-N 1 2 339.826 3.843 20 30 EHEDLO N#Cc1ccc(Oc2ccc(-c3noc(Cn4cc[nH+]c4)n3)cc2)cc1 ZINC001212536468 1130322158 /nfs/dbraw/zinc/32/21/58/1130322158.db2.gz IQIYXQVOFWLGKG-UHFFFAOYSA-N 1 2 343.346 3.645 20 30 EHEDLO COc1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1C#N ZINC000246818519 1130415406 /nfs/dbraw/zinc/41/54/06/1130415406.db2.gz NPBPHUQDYNFROH-UGSOOPFHSA-N 1 2 328.437 3.590 20 30 EHEDLO COc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1C#N ZINC000246818519 1130415408 /nfs/dbraw/zinc/41/54/08/1130415408.db2.gz NPBPHUQDYNFROH-UGSOOPFHSA-N 1 2 328.437 3.590 20 30 EHEDLO C#CCCOc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1 ZINC000733324420 1131025642 /nfs/dbraw/zinc/02/56/42/1131025642.db2.gz XHDDPHLCVWZMEC-NRFANRHFSA-N 1 2 345.446 3.701 20 30 EHEDLO CC(C)(C)OC(=O)C1([NH2+]CCCOc2ccc(C#N)cc2)CCCC1 ZINC000740878359 1131551824 /nfs/dbraw/zinc/55/18/24/1131551824.db2.gz BGTHZLYLBXJRIX-UHFFFAOYSA-N 1 2 344.455 3.571 20 30 EHEDLO CSCCCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000742357465 1131708587 /nfs/dbraw/zinc/70/85/87/1131708587.db2.gz UUVNXRPKZFPTSK-UHFFFAOYSA-N 1 2 330.453 3.656 20 30 EHEDLO CCCCCCCC[C@H](CC)[NH2+][C@H](Cc1cncn1C)C(=O)OC ZINC001172501931 1131761176 /nfs/dbraw/zinc/76/11/76/1131761176.db2.gz FVWOKJICSVTLQW-FUHWJXTLSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCCC[C@H](CC)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001172501931 1131761180 /nfs/dbraw/zinc/76/11/80/1131761180.db2.gz FVWOKJICSVTLQW-FUHWJXTLSA-N 1 2 337.508 3.623 20 30 EHEDLO CCCCCCC[C@H](CCC)[N@@H+]1CCn2c(C(=O)NC)cnc2C1 ZINC001172511544 1131765084 /nfs/dbraw/zinc/76/50/84/1131765084.db2.gz SSBAHPLIXZCYFC-INIZCTEOSA-N 1 2 334.508 3.588 20 30 EHEDLO CCCCCCC[C@H](CCC)[N@H+]1CCn2c(C(=O)NC)cnc2C1 ZINC001172511544 1131765086 /nfs/dbraw/zinc/76/50/86/1131765086.db2.gz SSBAHPLIXZCYFC-INIZCTEOSA-N 1 2 334.508 3.588 20 30 EHEDLO C=C(Br)C[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000743862557 1131989375 /nfs/dbraw/zinc/98/93/75/1131989375.db2.gz JJBRBAIFSCRKFG-KRWDZBQOSA-N 1 2 338.289 3.927 20 30 EHEDLO C=C(Br)C[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000743862557 1131989383 /nfs/dbraw/zinc/98/93/83/1131989383.db2.gz JJBRBAIFSCRKFG-KRWDZBQOSA-N 1 2 338.289 3.927 20 30 EHEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC2(CCc3ccccc32)CC1)C(=O)OCC ZINC001173690089 1132126085 /nfs/dbraw/zinc/12/60/85/1132126085.db2.gz WVXKKNJDESAZLS-KDFVNGPGSA-N 1 2 339.479 3.911 20 30 EHEDLO CC(=O)c1ccc(F)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001175270749 1132625299 /nfs/dbraw/zinc/62/52/99/1132625299.db2.gz MZJSVPSJCLYVMV-UHFFFAOYSA-N 1 2 329.400 3.693 20 30 EHEDLO CC(=O)c1ccc(F)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001175270749 1132625305 /nfs/dbraw/zinc/62/53/05/1132625305.db2.gz MZJSVPSJCLYVMV-UHFFFAOYSA-N 1 2 329.400 3.693 20 30 EHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccccc2C)CC1 ZINC000739913983 1132783318 /nfs/dbraw/zinc/78/33/18/1132783318.db2.gz FSCVRJDPRNJVFV-OAQYLSRUSA-N 1 2 348.446 3.960 20 30 EHEDLO C=C[C@@H](CO)Nc1cc(-c2ccccc2)c2cc3c(cc2[nH+]1)OCCO3 ZINC001169779764 1132855266 /nfs/dbraw/zinc/85/52/66/1132855266.db2.gz YDPMCUNWQUDHOP-HNNXBMFYSA-N 1 2 348.402 3.632 20 30 EHEDLO N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC001177993143 1133127135 /nfs/dbraw/zinc/12/71/35/1133127135.db2.gz IOTFIAJAJWHIMC-UHFFFAOYSA-N 1 2 340.383 3.720 20 30 EHEDLO C#CC[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccc(F)cc1 ZINC000769145652 1133231733 /nfs/dbraw/zinc/23/17/33/1133231733.db2.gz LRZYIAQLVOQQEX-UHFFFAOYSA-N 1 2 337.423 3.980 20 30 EHEDLO C#CC[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccc(F)cc1 ZINC000769145652 1133231736 /nfs/dbraw/zinc/23/17/36/1133231736.db2.gz LRZYIAQLVOQQEX-UHFFFAOYSA-N 1 2 337.423 3.980 20 30 EHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC001180185493 1133337733 /nfs/dbraw/zinc/33/77/33/1133337733.db2.gz YQISUROKJBNSSF-UHFFFAOYSA-N 1 2 345.368 3.688 20 30 EHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC001180185493 1133337739 /nfs/dbraw/zinc/33/77/39/1133337739.db2.gz YQISUROKJBNSSF-UHFFFAOYSA-N 1 2 345.368 3.688 20 30 EHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ncc(C(=O)OC)s1 ZINC001180225675 1133346234 /nfs/dbraw/zinc/34/62/34/1133346234.db2.gz WALGYIIMTIMURD-CYBMUJFWSA-N 1 2 343.452 3.775 20 30 EHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ncc(C(=O)OC)s1 ZINC001180225675 1133346239 /nfs/dbraw/zinc/34/62/39/1133346239.db2.gz WALGYIIMTIMURD-CYBMUJFWSA-N 1 2 343.452 3.775 20 30 EHEDLO C#C[C@@H](C)[N@@H+](C)Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000769960936 1133366399 /nfs/dbraw/zinc/36/63/99/1133366399.db2.gz FYXWFWYLRRJDRI-CYBMUJFWSA-N 1 2 330.453 3.671 20 30 EHEDLO C#C[C@@H](C)[N@H+](C)Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000769960936 1133366402 /nfs/dbraw/zinc/36/64/02/1133366402.db2.gz FYXWFWYLRRJDRI-CYBMUJFWSA-N 1 2 330.453 3.671 20 30 EHEDLO CC[NH+](CC)[C@H](C(=O)N1CCCC[C@H]1C#N)c1ccccc1Cl ZINC001182220114 1133598621 /nfs/dbraw/zinc/59/86/21/1133598621.db2.gz IWNWOLDHBOLEMT-YOEHRIQHSA-N 1 2 333.863 3.628 20 30 EHEDLO C#CC[N@@H+](Cc1cc(Br)c(Cl)s1)C1CSC1 ZINC001183420297 1133804010 /nfs/dbraw/zinc/80/40/10/1133804010.db2.gz ZGTKINPYRQMVKD-UHFFFAOYSA-N 1 2 336.707 3.715 20 30 EHEDLO C#CC[N@H+](Cc1cc(Br)c(Cl)s1)C1CSC1 ZINC001183420297 1133804012 /nfs/dbraw/zinc/80/40/12/1133804012.db2.gz ZGTKINPYRQMVKD-UHFFFAOYSA-N 1 2 336.707 3.715 20 30 EHEDLO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000746690586 1134016566 /nfs/dbraw/zinc/01/65/66/1134016566.db2.gz LGUHIVZGWPXUQZ-VWKPWSFCSA-N 1 2 336.435 3.917 20 30 EHEDLO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000746690586 1134016572 /nfs/dbraw/zinc/01/65/72/1134016572.db2.gz LGUHIVZGWPXUQZ-VWKPWSFCSA-N 1 2 336.435 3.917 20 30 EHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1OC ZINC000775067730 1134279125 /nfs/dbraw/zinc/27/91/25/1134279125.db2.gz NNYKTJJXPVUGMY-QGZVFWFLSA-N 1 2 348.406 3.858 20 30 EHEDLO C=C(Br)C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000790534145 1134432321 /nfs/dbraw/zinc/43/23/21/1134432321.db2.gz SLLRZGABNMMPHQ-UHFFFAOYSA-N 1 2 340.652 3.583 20 30 EHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)/C=C/c1ccccc1C#N ZINC000791316886 1134536186 /nfs/dbraw/zinc/53/61/86/1134536186.db2.gz ZGYSVPSMKQFRKO-VQHVLOKHSA-N 1 2 343.386 3.809 20 30 EHEDLO CC1(CN[NH+]=Cc2sc(N3CCCC3)nc2Cl)CCCC1 ZINC000793081840 1134848030 /nfs/dbraw/zinc/84/80/30/1134848030.db2.gz OARRCJRHJASYFG-UHFFFAOYSA-N 1 2 326.897 3.901 20 30 EHEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001193965178 1135207146 /nfs/dbraw/zinc/20/71/46/1135207146.db2.gz WVGBCHAEXRYSIA-GOSISDBHSA-N 1 2 334.847 3.909 20 30 EHEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001193965178 1135207153 /nfs/dbraw/zinc/20/71/53/1135207153.db2.gz WVGBCHAEXRYSIA-GOSISDBHSA-N 1 2 334.847 3.909 20 30 EHEDLO CC[C@H]1CC([N@@H+]2CCC[C@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484788 1135291882 /nfs/dbraw/zinc/29/18/82/1135291882.db2.gz RIJSDEWGDNGJPJ-JYJNAYRXSA-N 1 2 335.492 3.931 20 30 EHEDLO CC[C@H]1CC([N@H+]2CCC[C@H]2C#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170484788 1135291885 /nfs/dbraw/zinc/29/18/85/1135291885.db2.gz RIJSDEWGDNGJPJ-JYJNAYRXSA-N 1 2 335.492 3.931 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccccc2Cl)cs1)[C@H]1CCCO1 ZINC000775807304 1135756388 /nfs/dbraw/zinc/75/63/88/1135756388.db2.gz QZMUSYXFJZTHSD-GDBMZVCRSA-N 1 2 332.856 3.734 20 30 EHEDLO Cc1cn2cc(NC(=O)N(C)[C@H](C)c3cccc(C#N)c3)ccc2[nH+]1 ZINC001199767352 1135927266 /nfs/dbraw/zinc/92/72/66/1135927266.db2.gz DAHAOZLKRQDXQN-CQSZACIVSA-N 1 2 333.395 3.739 20 30 EHEDLO C=CCc1cc(C[NH2+]Cc2csc(CC)n2)cc(OC)c1OC ZINC000105477944 1135948290 /nfs/dbraw/zinc/94/82/90/1135948290.db2.gz RPYYWDWDCSHTFL-UHFFFAOYSA-N 1 2 332.469 3.741 20 30 EHEDLO CC(=NN[C@H](C)COc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000811665050 1136119008 /nfs/dbraw/zinc/11/90/08/1136119008.db2.gz KXXMOPNNBAOUIM-MRXNPFEDSA-N 1 2 334.423 3.653 20 30 EHEDLO C#C[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccc(F)cc1 ZINC000812794003 1136251604 /nfs/dbraw/zinc/25/16/04/1136251604.db2.gz MRBPETWNYVYELW-FZKQIMNGSA-N 1 2 325.383 3.622 20 30 EHEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1=S ZINC000814226442 1136425372 /nfs/dbraw/zinc/42/53/72/1136425372.db2.gz XCCUMUJAFSCLOP-QGZVFWFLSA-N 1 2 328.485 3.746 20 30 EHEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1=S ZINC000814226442 1136425374 /nfs/dbraw/zinc/42/53/74/1136425374.db2.gz XCCUMUJAFSCLOP-QGZVFWFLSA-N 1 2 328.485 3.746 20 30 EHEDLO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000852100704 1136433549 /nfs/dbraw/zinc/43/35/49/1136433549.db2.gz ZRGDKAMVNZCZMB-LJQANCHMSA-N 1 2 327.428 3.807 20 30 EHEDLO Brc1cc(N[NH+]=C2CC[C@@H]3CNc4cccc2c43)ccn1 ZINC000814904303 1136523033 /nfs/dbraw/zinc/52/30/33/1136523033.db2.gz CJWWPZPFKQZWOC-SNVBAGLBSA-N 1 2 343.228 3.963 20 30 EHEDLO CN(CCC#N)c1ccc(C=[NH+]Nc2ccc(F)c(F)c2F)cc1 ZINC000814946753 1136529995 /nfs/dbraw/zinc/52/99/95/1136529995.db2.gz WZMCPGCJGRFZIG-UHFFFAOYSA-N 1 2 332.329 3.900 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1NCCc1nnc(-c2ccccc2)o1 ZINC000853396818 1136530500 /nfs/dbraw/zinc/53/05/00/1136530500.db2.gz PTQOEOSAAJLLLG-UHFFFAOYSA-N 1 2 348.406 3.578 20 30 EHEDLO C#CCCCOc1ccc[nH+]c1N[C@H](C)C[C@H](O)c1cccs1 ZINC000853456344 1136533987 /nfs/dbraw/zinc/53/39/87/1136533987.db2.gz PQFSPYKXYHPASD-CABCVRRESA-N 1 2 330.453 3.859 20 30 EHEDLO C=CC[C@H]1CCC[N@@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)C1 ZINC000853536633 1136542013 /nfs/dbraw/zinc/54/20/13/1136542013.db2.gz GWRBXNKFOGSVAR-HNNXBMFYSA-N 1 2 331.485 3.629 20 30 EHEDLO C=CC[C@H]1CCC[N@H+](Cn2sc3nc(C)c(C)c(C)c3c2=O)C1 ZINC000853536633 1136542016 /nfs/dbraw/zinc/54/20/16/1136542016.db2.gz GWRBXNKFOGSVAR-HNNXBMFYSA-N 1 2 331.485 3.629 20 30 EHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC001138037235 1136913892 /nfs/dbraw/zinc/91/38/92/1136913892.db2.gz OWUIZERNTTYITK-CYBMUJFWSA-N 1 2 340.826 3.664 20 30 EHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC001138037235 1136913895 /nfs/dbraw/zinc/91/38/95/1136913895.db2.gz OWUIZERNTTYITK-CYBMUJFWSA-N 1 2 340.826 3.664 20 30 EHEDLO C#CC[C@H](CCOC)Nc1[nH+]ccc2cc(Br)ccc21 ZINC000858858511 1136994925 /nfs/dbraw/zinc/99/49/25/1136994925.db2.gz JKODJPYCQFMVFH-CQSZACIVSA-N 1 2 333.229 3.838 20 30 EHEDLO Cc1ccc(N[C@@H]2CCc3c2cccc3C#N)c(C[NH+]2CCOCC2)c1 ZINC001171063177 1137149815 /nfs/dbraw/zinc/14/98/15/1137149815.db2.gz HFANHMULLHSDON-JOCHJYFZSA-N 1 2 347.462 3.798 20 30 EHEDLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000339057226 1137190108 /nfs/dbraw/zinc/19/01/08/1137190108.db2.gz CGHSYSQLKLHUNB-OAQYLSRUSA-N 1 2 335.451 3.959 20 30 EHEDLO Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000339057226 1137190109 /nfs/dbraw/zinc/19/01/09/1137190109.db2.gz CGHSYSQLKLHUNB-OAQYLSRUSA-N 1 2 335.451 3.959 20 30 EHEDLO C[C@@H]1C[N@H+](Cc2c(Cl)cccc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001143716585 1137191835 /nfs/dbraw/zinc/19/18/35/1137191835.db2.gz SCTNGJAMLKXGGX-ABAIWWIYSA-N 1 2 346.780 3.737 20 30 EHEDLO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001143716585 1137191837 /nfs/dbraw/zinc/19/18/37/1137191837.db2.gz SCTNGJAMLKXGGX-ABAIWWIYSA-N 1 2 346.780 3.737 20 30 EHEDLO CC(C)c1ccc2c(c1)C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)CO2 ZINC000794698228 1137236173 /nfs/dbraw/zinc/23/61/73/1137236173.db2.gz HUOYEGJQUGDGLX-ZSOIEALJSA-N 1 2 342.464 3.987 20 30 EHEDLO O=C1c2ccc(F)cc2OC/C1=C/c1cc(-n2cc[nH+]c2)cs1 ZINC000794727212 1137241740 /nfs/dbraw/zinc/24/17/40/1137241740.db2.gz GMAZRWGCERQQCP-WZUFQYTHSA-N 1 2 326.352 3.732 20 30 EHEDLO C=CC[C@H]([NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1)C(=O)OC ZINC001171142857 1137243839 /nfs/dbraw/zinc/24/38/39/1137243839.db2.gz CRGXFBDNGPDVKV-DOMZBBRYSA-N 1 2 328.239 3.558 20 30 EHEDLO C=CC[C@@](C)([NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1)C(=O)OC ZINC001171148324 1137248090 /nfs/dbraw/zinc/24/80/90/1137248090.db2.gz DEQHOMJGUZNGIX-SUMWQHHRSA-N 1 2 342.266 3.948 20 30 EHEDLO Cc1ccc(N(CCC#N)C(=O)Cn2c[nH+]c(C(C)(C)C)c2)cc1C ZINC000865375253 1137278475 /nfs/dbraw/zinc/27/84/75/1137278475.db2.gz HGHRYNKWZTXZLA-UHFFFAOYSA-N 1 2 338.455 3.744 20 30 EHEDLO COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3cccc(C#N)c3O)c2c1 ZINC000866264473 1137340572 /nfs/dbraw/zinc/34/05/72/1137340572.db2.gz BONWUYRFUUBBCQ-CYBMUJFWSA-N 1 2 335.407 3.647 20 30 EHEDLO N#Cc1ccc(NCCCCn2cc[nH+]c2)c(F)c1Br ZINC000231845629 1137344944 /nfs/dbraw/zinc/34/49/44/1137344944.db2.gz RIBCZQDAUXTSKQ-UHFFFAOYSA-N 1 2 337.196 3.549 20 30 EHEDLO Cn1cc[nH+]c1CCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001144977372 1137377046 /nfs/dbraw/zinc/37/70/46/1137377046.db2.gz HIRHAZZCWLQUDB-UHFFFAOYSA-N 1 2 346.390 3.655 20 30 EHEDLO N#CC1CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000173587054 1137435928 /nfs/dbraw/zinc/43/59/28/1137435928.db2.gz NRJVVWTWPCGHQJ-UHFFFAOYSA-N 1 2 346.228 3.840 20 30 EHEDLO CC[C@@H]1C[C@H]([NH+]2CC(C)(C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821741 1137511921 /nfs/dbraw/zinc/51/19/21/1137511921.db2.gz YCVXWNPWHPRTCO-ZSHCYNCHSA-N 1 2 335.492 3.789 20 30 EHEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001171961764 1137519665 /nfs/dbraw/zinc/51/96/65/1137519665.db2.gz AJEWHGYRPPMGQZ-XHDPSFHLSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001171961764 1137519666 /nfs/dbraw/zinc/51/96/66/1137519666.db2.gz AJEWHGYRPPMGQZ-XHDPSFHLSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001171961764 1137519668 /nfs/dbraw/zinc/51/96/68/1137519668.db2.gz AJEWHGYRPPMGQZ-XHDPSFHLSA-N 1 2 341.398 3.911 20 30 EHEDLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001171961764 1137519669 /nfs/dbraw/zinc/51/96/69/1137519669.db2.gz AJEWHGYRPPMGQZ-XHDPSFHLSA-N 1 2 341.398 3.911 20 30 EHEDLO CC[C@H](C#N)[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172210531 1137541572 /nfs/dbraw/zinc/54/15/72/1137541572.db2.gz IKQRQBSUYVCIKW-KLHKWILBSA-N 1 2 334.847 3.585 20 30 EHEDLO CN(C)c1ccc(C[N@H+](Cc2cc(C#N)cnc2Cl)C2CC2)cc1 ZINC000876571200 1137655918 /nfs/dbraw/zinc/65/59/18/1137655918.db2.gz UVVVXJZOWRLEFF-UHFFFAOYSA-N 1 2 340.858 3.837 20 30 EHEDLO CN(C)c1ccc(C[N@@H+](Cc2cc(C#N)cnc2Cl)C2CC2)cc1 ZINC000876571200 1137655919 /nfs/dbraw/zinc/65/59/19/1137655919.db2.gz UVVVXJZOWRLEFF-UHFFFAOYSA-N 1 2 340.858 3.837 20 30 EHEDLO N#Cc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c(Cl)c1 ZINC000879500767 1137749305 /nfs/dbraw/zinc/74/93/05/1137749305.db2.gz XVXFILOTUIYGIX-QGZVFWFLSA-N 1 2 338.842 3.591 20 30 EHEDLO N#Cc1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c(Cl)c1 ZINC000879500767 1137749306 /nfs/dbraw/zinc/74/93/06/1137749306.db2.gz XVXFILOTUIYGIX-QGZVFWFLSA-N 1 2 338.842 3.591 20 30 EHEDLO CN(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000282959902 1138078543 /nfs/dbraw/zinc/07/85/43/1138078543.db2.gz YITGBECHKUMACJ-GOSISDBHSA-N 1 2 331.822 3.743 20 30 EHEDLO CCN(CCC#N)C(=O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000076710930 1138133779 /nfs/dbraw/zinc/13/37/79/1138133779.db2.gz XPSHOOKEOIUSCT-UHFFFAOYSA-N 1 2 347.509 3.574 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@@H](C)CC#N)c2)cc1 ZINC000093090600 1138234213 /nfs/dbraw/zinc/23/42/13/1138234213.db2.gz VHCYZAKXPKEMCF-HNNXBMFYSA-N 1 2 337.423 3.681 20 30 EHEDLO COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@@H](C)CC#N)c2)cc1 ZINC000093090600 1138234217 /nfs/dbraw/zinc/23/42/17/1138234217.db2.gz VHCYZAKXPKEMCF-HNNXBMFYSA-N 1 2 337.423 3.681 20 30 EHEDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000130275292 1138445497 /nfs/dbraw/zinc/44/54/97/1138445497.db2.gz HURHFOJBBFKXKP-QGZVFWFLSA-N 1 2 333.395 3.586 20 30 EHEDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000130275292 1138445501 /nfs/dbraw/zinc/44/55/01/1138445501.db2.gz HURHFOJBBFKXKP-QGZVFWFLSA-N 1 2 333.395 3.586 20 30 EHEDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)o1 ZINC000131426583 1138516713 /nfs/dbraw/zinc/51/67/13/1138516713.db2.gz OGJJTRISJIAQDH-IBGZPJMESA-N 1 2 335.407 3.887 20 30 EHEDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)o1 ZINC000131426583 1138516716 /nfs/dbraw/zinc/51/67/16/1138516716.db2.gz OGJJTRISJIAQDH-IBGZPJMESA-N 1 2 335.407 3.887 20 30 EHEDLO C=C(C)COc1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000264688874 1138605610 /nfs/dbraw/zinc/60/56/10/1138605610.db2.gz CNSJCHMADFPILU-HNNXBMFYSA-N 1 2 340.427 3.776 20 30 EHEDLO C[C@H]1SCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000174868175 1139447311 /nfs/dbraw/zinc/44/73/11/1139447311.db2.gz ZVNPRVTUFLWBAE-LSDHHAIUSA-N 1 2 341.480 3.563 20 30 EHEDLO C[C@H]1SCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000174868175 1139447315 /nfs/dbraw/zinc/44/73/15/1139447315.db2.gz ZVNPRVTUFLWBAE-LSDHHAIUSA-N 1 2 341.480 3.563 20 30 EHEDLO C=CC[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000189613552 1140355981 /nfs/dbraw/zinc/35/59/81/1140355981.db2.gz SOOGVKILCTYCKB-WIYYLYMNSA-N 1 2 349.478 3.647 20 30 EHEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccco1 ZINC000266725385 1140719047 /nfs/dbraw/zinc/71/90/47/1140719047.db2.gz IROXKUQQIONQPF-UHFFFAOYSA-N 1 2 343.452 3.744 20 30 EHEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccco1 ZINC000266725385 1140719049 /nfs/dbraw/zinc/71/90/49/1140719049.db2.gz IROXKUQQIONQPF-UHFFFAOYSA-N 1 2 343.452 3.744 20 30 EHEDLO CCCCCOc1ccc(/C=N/OCc2c[nH+]cn2C)cc1OC ZINC000267819420 1140839485 /nfs/dbraw/zinc/83/94/85/1140839485.db2.gz WTHBWKVBZJIADI-RGVLZGJSSA-N 1 2 331.416 3.548 20 30 EHEDLO