smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1cc(Cl)c(CN2CCC[N@@H+](C)CC2)cc1OC ZINC000820491556 1091624479 /nfs/dbraw/zinc/62/44/79/1091624479.db2.gz MIAROTUOSASXPP-UHFFFAOYSA-N 1 1 324.852 3.051 50 30 DGEAMO C=CCn1ncc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1C ZINC000820505371 1091624960 /nfs/dbraw/zinc/62/49/60/1091624960.db2.gz ZUZBFDYYAQVSGI-UHFFFAOYSA-N 1 1 324.472 3.317 50 30 DGEAMO C=C(C)COc1ccc(NC(=O)[C@H]2CCCCC[N@@H+]2C)cc1 ZINC000820530617 1091625462 /nfs/dbraw/zinc/62/54/62/1091625462.db2.gz NCQAOWGDRZNGJA-QGZVFWFLSA-N 1 1 302.418 3.454 50 30 DGEAMO COc1cccc([C@H]2CC[N@@H+]2Cc2cc(C#CCO)cs2)c1 ZINC000828644549 1091841051 /nfs/dbraw/zinc/84/10/51/1091841051.db2.gz CSAMFLDIGUHGHI-GOSISDBHSA-N 1 1 313.422 3.048 50 30 DGEAMO COc1cccc([C@H]2CC[N@H+]2Cc2cc(C#CCO)cs2)c1 ZINC000828644549 1091841053 /nfs/dbraw/zinc/84/10/53/1091841053.db2.gz CSAMFLDIGUHGHI-GOSISDBHSA-N 1 1 313.422 3.048 50 30 DGEAMO N#Cc1cc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)ccc1F ZINC000089952658 185271338 /nfs/dbraw/zinc/27/13/38/185271338.db2.gz SJKIBMATILFUHT-HZPDHXFCSA-N 1 1 320.433 3.184 50 30 DGEAMO CC[C@H](CO)[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063881595 432007628 /nfs/dbraw/zinc/00/76/28/432007628.db2.gz RBANPEKPMNGOSF-LJQANCHMSA-N 1 1 312.388 3.470 50 30 DGEAMO Clc1ccccc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019848772 182156326 /nfs/dbraw/zinc/15/63/26/182156326.db2.gz LSJRRRNUMMUDPM-XSFVSMFZSA-N 1 1 313.832 3.492 50 30 DGEAMO C[N@H+]1CCc2nc(SCc3ccc(F)cc3)c(C#N)cc2C1 ZINC000019852753 182157181 /nfs/dbraw/zinc/15/71/81/182157181.db2.gz YDLOAXZDAMCJQB-UHFFFAOYSA-N 1 1 313.401 3.373 50 30 DGEAMO C=CCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000022064230 182307885 /nfs/dbraw/zinc/30/78/85/182307885.db2.gz MNIZLSQGPAFYOQ-UHFFFAOYSA-N 1 1 306.409 3.161 50 30 DGEAMO N#Cc1ccccc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000022807579 182335902 /nfs/dbraw/zinc/33/59/02/182335902.db2.gz VATCWFLXBBOXSJ-UHFFFAOYSA-N 1 1 305.425 3.266 50 30 DGEAMO Cc1cccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)cc2)c1 ZINC000011565602 400144875 /nfs/dbraw/zinc/14/48/75/400144875.db2.gz FXBGEGYVUMXLDA-UHFFFAOYSA-N 1 1 312.442 3.382 50 30 DGEAMO C[N@H+]1CCC[C@@H](C#CC(O)(c2ccccc2)c2ccccc2)C1 ZINC000001234573 431218066 /nfs/dbraw/zinc/21/80/66/431218066.db2.gz CFJKVVGMVJHFFV-SFHVURJKSA-N 1 1 305.421 3.268 50 30 DGEAMO C[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000007787674 431364907 /nfs/dbraw/zinc/36/49/07/431364907.db2.gz RNIHJWDPEDAAKB-LBPRGKRZSA-N 1 1 317.458 3.169 50 30 DGEAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000007787674 431364913 /nfs/dbraw/zinc/36/49/13/431364913.db2.gz RNIHJWDPEDAAKB-LBPRGKRZSA-N 1 1 317.458 3.169 50 30 DGEAMO Cc1ccsc1C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000008985044 431418266 /nfs/dbraw/zinc/41/82/66/431418266.db2.gz PPFQQUCWDZBTRP-UHFFFAOYSA-N 1 1 319.455 3.450 50 30 DGEAMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCCC2)c1C#N ZINC000008728791 431408308 /nfs/dbraw/zinc/40/83/08/431408308.db2.gz ZFIFYMGLMGNFFM-UHFFFAOYSA-N 1 1 322.412 3.000 50 30 DGEAMO CC(C)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000012342069 431503084 /nfs/dbraw/zinc/50/30/84/431503084.db2.gz SFMQKOYHBQZMFL-GOSISDBHSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO CC(C)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000012342069 431503087 /nfs/dbraw/zinc/50/30/87/431503087.db2.gz SFMQKOYHBQZMFL-GOSISDBHSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO Cc1nc(C#N)c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000027992891 431700326 /nfs/dbraw/zinc/70/03/26/431700326.db2.gz HRBPWYVCXFPQKZ-AWEZNQCLSA-N 1 1 300.362 3.087 50 30 DGEAMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000029483277 431724624 /nfs/dbraw/zinc/72/46/24/431724624.db2.gz ASPZUNVGZIQDTH-SFHVURJKSA-N 1 1 305.381 3.116 50 30 DGEAMO C=CCn1cc(C[N@@H+](CCCCO)Cc2ccccc2)c(C)n1 ZINC000055060930 431975165 /nfs/dbraw/zinc/97/51/65/431975165.db2.gz MKHYMGXGQUBRTM-UHFFFAOYSA-N 1 1 313.445 3.152 50 30 DGEAMO CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000096403140 431945196 /nfs/dbraw/zinc/94/51/96/431945196.db2.gz FYCWFFKJLDSNJQ-QGZVFWFLSA-N 1 1 308.381 3.220 50 30 DGEAMO C#C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(F)cc1 ZINC000408516949 434584318 /nfs/dbraw/zinc/58/43/18/434584318.db2.gz VYGSVVCOSFIZRO-LJQANCHMSA-N 1 1 305.356 3.476 50 30 DGEAMO C#CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]1CCc2ccccc21 ZINC000036394469 518256336 /nfs/dbraw/zinc/25/63/36/518256336.db2.gz QSDIHVSSEMHBBK-NSISKUIASA-N 1 1 324.468 3.304 50 30 DGEAMO C#CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]1CCc2ccccc21 ZINC000036394469 518256344 /nfs/dbraw/zinc/25/63/44/518256344.db2.gz QSDIHVSSEMHBBK-NSISKUIASA-N 1 1 324.468 3.304 50 30 DGEAMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(C)nn1 ZINC000067804229 518709978 /nfs/dbraw/zinc/70/99/78/518709978.db2.gz MAKMHZWVOJGGGH-KRWDZBQOSA-N 1 1 312.417 3.026 50 30 DGEAMO CC(C)c1ccc(C[NH+]2CCN(C[C@H](C#N)CCC#N)CC2)cc1 ZINC000022930092 519835984 /nfs/dbraw/zinc/83/59/84/519835984.db2.gz FLXRNOLJKJMZLT-IBGZPJMESA-N 1 1 324.472 3.371 50 30 DGEAMO CC(C)c1ccc(C[NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000022930095 519836043 /nfs/dbraw/zinc/83/60/43/519836043.db2.gz FLXRNOLJKJMZLT-LJQANCHMSA-N 1 1 324.472 3.371 50 30 DGEAMO CCCOc1ccc(C(=O)ON=C2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1 ZINC000004948638 520338316 /nfs/dbraw/zinc/33/83/16/520338316.db2.gz NWXCDLDVVVRHIC-OKILXGFUSA-N 1 1 318.417 3.206 50 30 DGEAMO CCCOc1ccc(C(=O)O/N=C2\C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000004350622 520338518 /nfs/dbraw/zinc/33/85/18/520338518.db2.gz SZLKYLKGKTXXLR-OTSFIGDKSA-N 1 1 318.417 3.348 50 30 DGEAMO C=C(C)CN1CC[NH+](CCCC(=O)c2ccc(C)cc2)CC1 ZINC001506406373 1186223114 /nfs/dbraw/zinc/22/31/14/1186223114.db2.gz ZZIUKTNZHKUGAV-UHFFFAOYSA-N 1 1 300.446 3.152 50 30 DGEAMO C=CCc1cc(CN(C)C[C@@]2(C)CC[N@@H+](C)C2)ccc1OC ZINC000952961345 1096789577 /nfs/dbraw/zinc/78/95/77/1096789577.db2.gz HODJHYQOHOJYHZ-IBGZPJMESA-N 1 1 302.462 3.197 50 30 DGEAMO C=CCc1cc(C[N@H+](C)C[C@@]2(C)CCN(C)C2)ccc1OC ZINC000952961345 1096789600 /nfs/dbraw/zinc/78/96/00/1096789600.db2.gz HODJHYQOHOJYHZ-IBGZPJMESA-N 1 1 302.462 3.197 50 30 DGEAMO C=CCc1cc(C[N@@H+](C)C[C@@]2(C)CCN(C)C2)ccc1OC ZINC000952961345 1096789606 /nfs/dbraw/zinc/78/96/06/1096789606.db2.gz HODJHYQOHOJYHZ-IBGZPJMESA-N 1 1 302.462 3.197 50 30 DGEAMO N#Cc1ccc(F)c(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000095444981 185367298 /nfs/dbraw/zinc/36/72/98/185367298.db2.gz LINYSSZDXIRISD-CVEARBPZSA-N 1 1 320.433 3.184 50 30 DGEAMO N#Cc1cccnc1N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072435248 191165729 /nfs/dbraw/zinc/16/57/29/191165729.db2.gz WHAUZVXXVMMIAO-INIZCTEOSA-N 1 1 310.376 3.169 50 30 DGEAMO N#Cc1cccnc1N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072435248 191165732 /nfs/dbraw/zinc/16/57/32/191165732.db2.gz WHAUZVXXVMMIAO-INIZCTEOSA-N 1 1 310.376 3.169 50 30 DGEAMO Cc1c(C[N@@H+](C)Cc2cccc(-n3cccn3)c2)cc(C#N)n1C ZINC000072429225 191163448 /nfs/dbraw/zinc/16/34/48/191163448.db2.gz VBIKJVBAKRCVCG-UHFFFAOYSA-N 1 1 319.412 3.023 50 30 DGEAMO N#Cc1ccc(F)c(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000108072043 283150623 /nfs/dbraw/zinc/15/06/23/283150623.db2.gz LINYSSZDXIRISD-HOTGVXAUSA-N 1 1 320.433 3.184 50 30 DGEAMO N#Cc1ccc(N2CCC(c3[nH+]ccn3CC3CCC3)CC2)nc1 ZINC000091616340 193080034 /nfs/dbraw/zinc/08/00/34/193080034.db2.gz FRLJYNCCIVNQCF-UHFFFAOYSA-N 1 1 321.428 3.334 50 30 DGEAMO Cc1cc(C)cc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)c1 ZINC000018172986 182095974 /nfs/dbraw/zinc/09/59/74/182095974.db2.gz LKOASPQULAPYPC-UHFFFAOYSA-N 1 1 302.761 3.434 50 30 DGEAMO CCOc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019790540 182148783 /nfs/dbraw/zinc/14/87/83/182148783.db2.gz VNUAROAVXUOXEL-LTGZKZEYSA-N 1 1 323.440 3.237 50 30 DGEAMO N#Cc1c2c(sc1NC(=O)C[NH+]1CCCCCC1)CCCC2 ZINC000000078276 431120311 /nfs/dbraw/zinc/12/03/11/431120311.db2.gz ZLNBYMMCOLKBEX-UHFFFAOYSA-N 1 1 317.458 3.313 50 30 DGEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccc(F)c1 ZINC000007420452 431347377 /nfs/dbraw/zinc/34/73/77/431347377.db2.gz AGUISSNOSWDZQH-ZDUSSCGKSA-N 1 1 311.360 3.156 50 30 DGEAMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccc(F)c1 ZINC000007420452 431347387 /nfs/dbraw/zinc/34/73/87/431347387.db2.gz AGUISSNOSWDZQH-ZDUSSCGKSA-N 1 1 311.360 3.156 50 30 DGEAMO Cc1ccccc1C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000008943074 431418817 /nfs/dbraw/zinc/41/88/17/431418817.db2.gz OSLWTGWDDLXITG-UHFFFAOYSA-N 1 1 313.426 3.389 50 30 DGEAMO CC[C@@H](CO)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000055271317 280147434 /nfs/dbraw/zinc/14/74/34/280147434.db2.gz BOWBLDSQDMJOSQ-IBGZPJMESA-N 1 1 312.388 3.470 50 30 DGEAMO CC(C)(C)c1nc(C#N)c(N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000027062073 431683950 /nfs/dbraw/zinc/68/39/50/431683950.db2.gz ABKBHRVLMBBJGB-UHFFFAOYSA-N 1 1 324.428 3.166 50 30 DGEAMO C[N@@H+](CC(=O)Nc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000029482509 431725109 /nfs/dbraw/zinc/72/51/09/431725109.db2.gz YFCRKKWEUXHNTL-SFHVURJKSA-N 1 1 305.381 3.116 50 30 DGEAMO CC[C@H](C)[N@@H+](CC#Cc1ccccc1)Cc1cnc2nccn2c1 ZINC000055211253 431978255 /nfs/dbraw/zinc/97/82/55/431978255.db2.gz HPJRIOMVGXDNNB-KRWDZBQOSA-N 1 1 318.424 3.382 50 30 DGEAMO CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000096403141 431945434 /nfs/dbraw/zinc/94/54/34/431945434.db2.gz FYCWFFKJLDSNJQ-KRWDZBQOSA-N 1 1 308.381 3.220 50 30 DGEAMO OCC#Cc1csc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000097532450 431970366 /nfs/dbraw/zinc/97/03/66/431970366.db2.gz HQDGVJITARGXMP-INIZCTEOSA-N 1 1 315.413 3.221 50 30 DGEAMO C=CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)C1CCCC1 ZINC000060479068 431999898 /nfs/dbraw/zinc/99/98/98/431999898.db2.gz GVFULKPNSAHFNP-UHFFFAOYSA-N 1 1 302.447 3.474 50 30 DGEAMO CC(C)[N@@H+]1CC[C@H](NC(=O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248611668 432305901 /nfs/dbraw/zinc/30/59/01/432305901.db2.gz XPFKBFBADCNOAA-GOEBONIOSA-N 1 1 323.799 3.033 50 30 DGEAMO CC(C)[N@H+]1CC[C@H](NC(=O)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248611668 432305906 /nfs/dbraw/zinc/30/59/06/432305906.db2.gz XPFKBFBADCNOAA-GOEBONIOSA-N 1 1 323.799 3.033 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(N=C/C=C/c3ccco3)CC2)cc1 ZINC000254495191 432402778 /nfs/dbraw/zinc/40/27/78/432402778.db2.gz KAIZNBGVGBCMFQ-PZGUYWPUSA-N 1 1 309.413 3.405 50 30 DGEAMO C[NH+]1CCN(N=C2C[C@@H](c3ccccc3)Oc3ccccc32)CC1 ZINC000254750521 432405130 /nfs/dbraw/zinc/40/51/30/432405130.db2.gz BZBXQENOAJQHNU-FQEVSTJZSA-N 1 1 321.424 3.162 50 30 DGEAMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411994586 434852040 /nfs/dbraw/zinc/85/20/40/434852040.db2.gz ZROJKJCDVIGTRV-FQEVSTJZSA-N 1 1 318.376 3.168 50 30 DGEAMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411994586 434852042 /nfs/dbraw/zinc/85/20/42/434852042.db2.gz ZROJKJCDVIGTRV-FQEVSTJZSA-N 1 1 318.376 3.168 50 30 DGEAMO C#Cc1ccc(C[N@H+](CCO)Cc2ccc(SC)cc2)cc1 ZINC000055326489 518358601 /nfs/dbraw/zinc/35/86/01/518358601.db2.gz UVBPAWJJQOSRDC-UHFFFAOYSA-N 1 1 311.450 3.384 50 30 DGEAMO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3ccoc3)C2)n1C ZINC000019227986 519091142 /nfs/dbraw/zinc/09/11/42/519091142.db2.gz SPQAVTXNNSDOQT-CQSZACIVSA-N 1 1 318.446 3.066 50 30 DGEAMO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015069679 655549589 /nfs/dbraw/zinc/54/95/89/655549589.db2.gz HSTHGJPEHKDQHF-INIZCTEOSA-N 1 1 306.837 3.387 50 30 DGEAMO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015069679 655549591 /nfs/dbraw/zinc/54/95/91/655549591.db2.gz HSTHGJPEHKDQHF-INIZCTEOSA-N 1 1 306.837 3.387 50 30 DGEAMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000015069677 658008530 /nfs/dbraw/zinc/00/85/30/658008530.db2.gz HSTHGJPEHKDQHF-MRXNPFEDSA-N 1 1 306.837 3.387 50 30 DGEAMO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000015069677 658008541 /nfs/dbraw/zinc/00/85/41/658008541.db2.gz HSTHGJPEHKDQHF-MRXNPFEDSA-N 1 1 306.837 3.387 50 30 DGEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000065381637 685054997 /nfs/dbraw/zinc/05/49/97/685054997.db2.gz QXEZOPPPCMTMPZ-GDBMZVCRSA-N 1 1 305.443 3.185 50 30 DGEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000065381637 685055007 /nfs/dbraw/zinc/05/50/07/685055007.db2.gz QXEZOPPPCMTMPZ-GDBMZVCRSA-N 1 1 305.443 3.185 50 30 DGEAMO CCCC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2C)C[C@H](C2CC2)O1 ZINC001529142113 1187536037 /nfs/dbraw/zinc/53/60/37/1187536037.db2.gz FDBXTYHFVGWCCH-RTBURBONSA-N 1 1 315.461 3.375 50 30 DGEAMO CCCC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2C)C[C@H](C2CC2)O1 ZINC001529142113 1187536038 /nfs/dbraw/zinc/53/60/38/1187536038.db2.gz FDBXTYHFVGWCCH-RTBURBONSA-N 1 1 315.461 3.375 50 30 DGEAMO CC(C)c1ccc(C#N)c(N(C)CC[N@@H+](C)C2CCCC2)n1 ZINC001704280002 1202518089 /nfs/dbraw/zinc/51/80/89/1202518089.db2.gz FYRDWEDAFYULFC-UHFFFAOYSA-N 1 1 300.450 3.387 50 30 DGEAMO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2C(=O)c1ccnc2ccc(OC)cc21 ZINC000016968659 119348862 /nfs/dbraw/zinc/34/88/62/119348862.db2.gz SRFCUPVBYYAMIL-BIENJYKASA-N 1 1 322.408 3.323 50 30 DGEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2C(=O)c1ccnc2ccc(OC)cc21 ZINC000016968659 119348865 /nfs/dbraw/zinc/34/88/65/119348865.db2.gz SRFCUPVBYYAMIL-BIENJYKASA-N 1 1 322.408 3.323 50 30 DGEAMO CCn1cc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1C#N ZINC000072160910 191062005 /nfs/dbraw/zinc/06/20/05/191062005.db2.gz LRBMAZWMBBMFMR-UHFFFAOYSA-N 1 1 319.412 3.197 50 30 DGEAMO CCn1cc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1C#N ZINC000072160910 191062007 /nfs/dbraw/zinc/06/20/07/191062007.db2.gz LRBMAZWMBBMFMR-UHFFFAOYSA-N 1 1 319.412 3.197 50 30 DGEAMO N#Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000003459475 181023303 /nfs/dbraw/zinc/02/33/03/181023303.db2.gz XJCWNPWVTMLLSH-QGZVFWFLSA-N 1 1 323.396 3.108 50 30 DGEAMO [NH2+]=C(NOC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000004322626 181098103 /nfs/dbraw/zinc/09/81/03/181098103.db2.gz OLRJFSAJFJLBHC-UHFFFAOYSA-N 1 1 310.687 3.096 50 30 DGEAMO C=CCSc1nc2sc3c(c2c(N)n1)CC[N@@H+](CCC)C3 ZINC000020828867 182248866 /nfs/dbraw/zinc/24/88/66/182248866.db2.gz FKDXZLULOGAKSF-UHFFFAOYSA-N 1 1 320.487 3.320 50 30 DGEAMO C=CCSc1nc2sc3c(c2c(N)n1)CC[N@H+](CCC)C3 ZINC000020828867 182248868 /nfs/dbraw/zinc/24/88/68/182248868.db2.gz FKDXZLULOGAKSF-UHFFFAOYSA-N 1 1 320.487 3.320 50 30 DGEAMO CC/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC000039942837 183023095 /nfs/dbraw/zinc/02/30/95/183023095.db2.gz NPBAAEHDGBGKAA-QZQOTICOSA-N 1 1 323.440 3.324 50 30 DGEAMO CC[C@@](C)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)OC(C)=O ZINC000061999474 184200449 /nfs/dbraw/zinc/20/04/49/184200449.db2.gz ZENQODAVRHWOBM-OALUTQOASA-N 1 1 314.429 3.344 50 30 biogenic DGEAMO CC[C@@](C)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)OC(C)=O ZINC000061999474 184200451 /nfs/dbraw/zinc/20/04/51/184200451.db2.gz ZENQODAVRHWOBM-OALUTQOASA-N 1 1 314.429 3.344 50 30 biogenic DGEAMO Cc1[nH+]ccn1-c1ccc(CNc2ncccc2C#N)cc1F ZINC000063254743 184279733 /nfs/dbraw/zinc/27/97/33/184279733.db2.gz IJAFFBIRTBJNCN-UHFFFAOYSA-N 1 1 307.332 3.199 50 30 DGEAMO CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000225432709 256595628 /nfs/dbraw/zinc/59/56/28/256595628.db2.gz OBLRNUNVODUUJA-SJORKVTESA-N 1 1 319.493 3.476 50 30 DGEAMO C=C[C@@H]1C[NH+]2CC[C@H]1C[C@H]2[C@H](N)c1ccnc2ccc(OC)cc21 ZINC000252448032 257214939 /nfs/dbraw/zinc/21/49/39/257214939.db2.gz RIEKOKLABHBCGI-BBNYVJOESA-N 1 1 323.440 3.140 50 30 DGEAMO CCCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)CC ZINC000003456649 400082796 /nfs/dbraw/zinc/08/27/96/400082796.db2.gz DFLIOLBUTSRIFA-NVXWUHKLSA-N 1 1 304.434 3.199 50 30 DGEAMO Cc1[nH+]ccn1-c1c2c(c(C#N)c3nc4ccccc4n31)CCC2 ZINC000000183154 431142495 /nfs/dbraw/zinc/14/24/95/431142495.db2.gz GCADTYLJGLGURF-UHFFFAOYSA-N 1 1 313.364 3.342 50 30 DGEAMO C=CC[NH+](CC=C)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717514 431408751 /nfs/dbraw/zinc/40/87/51/431408751.db2.gz VQTKPBWCGVECIR-UHFFFAOYSA-N 1 1 311.429 3.489 50 30 DGEAMO C=CCSc1nnc([C@H]2CCC[N@H+](C/C(C)=C/C)C2)n1C ZINC000014953603 431597914 /nfs/dbraw/zinc/59/79/14/431597914.db2.gz QZUPVGZLKYVCCA-BLXFFLACSA-N 1 1 306.479 3.239 50 30 DGEAMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1N1CCOCC1 ZINC000016424450 431612198 /nfs/dbraw/zinc/61/21/98/431612198.db2.gz PNAXLJDCYCLRDN-UHFFFAOYSA-N 1 1 321.424 3.027 50 30 DGEAMO C=CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)C[C@H](C)O ZINC000035840602 431832991 /nfs/dbraw/zinc/83/29/91/431832991.db2.gz PNHVTDVLNHICMT-HNNXBMFYSA-N 1 1 302.393 3.044 50 30 DGEAMO C[N@@H+](CC#CCNC(=O)Nc1cccs1)Cc1ccccc1 ZINC000085470641 431839644 /nfs/dbraw/zinc/83/96/44/431839644.db2.gz BFMXCTVHAJGIFN-UHFFFAOYSA-N 1 1 313.426 3.005 50 30 DGEAMO N#Cc1cccc(CNCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000046836589 431901411 /nfs/dbraw/zinc/90/14/11/431901411.db2.gz PNQYTEZUTQFUQP-UHFFFAOYSA-N 1 1 305.425 3.444 50 30 DGEAMO C=CCn1cc(C[N@H+](Cc2ccsc2)[C@H](CC)CO)c(C)n1 ZINC000055386552 431980784 /nfs/dbraw/zinc/98/07/84/431980784.db2.gz TVVKSARWAPTUTB-QGZVFWFLSA-N 1 1 319.474 3.212 50 30 DGEAMO C=CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)C(C)C)c(C)n1 ZINC000055035988 431974885 /nfs/dbraw/zinc/97/48/85/431974885.db2.gz ZFUYHVMSUDCNQF-UHFFFAOYSA-N 1 1 315.465 3.138 50 30 DGEAMO C=CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)C(C)C)c(C)n1 ZINC000055035988 431974887 /nfs/dbraw/zinc/97/48/87/431974887.db2.gz ZFUYHVMSUDCNQF-UHFFFAOYSA-N 1 1 315.465 3.138 50 30 DGEAMO CC(C)C[C@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055236091 431978701 /nfs/dbraw/zinc/97/87/01/431978701.db2.gz MVLLBTZXHWXQCD-RTBURBONSA-N 1 1 300.446 3.409 50 30 DGEAMO CC(C)C[C@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055236091 431978702 /nfs/dbraw/zinc/97/87/02/431978702.db2.gz MVLLBTZXHWXQCD-RTBURBONSA-N 1 1 300.446 3.409 50 30 DGEAMO Cc1ccccc1[C@H](C#N)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000096444698 431949639 /nfs/dbraw/zinc/94/96/39/431949639.db2.gz FLLQZQWVMPTVRW-INIZCTEOSA-N 1 1 310.401 3.086 50 30 DGEAMO C[NH+]1CCN(N=Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000254590723 432403898 /nfs/dbraw/zinc/40/38/98/432403898.db2.gz DJXMUWQBTLLIDA-UHFFFAOYSA-N 1 1 318.424 3.416 50 30 DGEAMO C=CCn1ncc(C[N@H+]2CCCC[C@@H]2CCn2cccn2)c1C ZINC000216191822 432647829 /nfs/dbraw/zinc/64/78/29/432647829.db2.gz SCZVQFVGHPJGAI-GOSISDBHSA-N 1 1 313.449 3.019 50 30 DGEAMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1occc1CN(C)C ZINC000328590165 434286749 /nfs/dbraw/zinc/28/67/49/434286749.db2.gz ZAJMVRHGQCJBQF-ZNMIVQPWSA-N 1 1 321.465 3.012 50 30 DGEAMO C=CC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1cccs1 ZINC000032738517 518774650 /nfs/dbraw/zinc/77/46/50/518774650.db2.gz AWKBNMHAKYXEIM-UHFFFAOYSA-N 1 1 305.403 3.061 50 30 DGEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000036098682 518990388 /nfs/dbraw/zinc/99/03/88/518990388.db2.gz DHCCMCWXJUCSLT-SFHVURJKSA-N 1 1 315.413 3.154 50 30 DGEAMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000092794406 522667625 /nfs/dbraw/zinc/66/76/25/522667625.db2.gz DEBJFVROIQBANX-INIZCTEOSA-N 1 1 319.836 3.239 50 30 DGEAMO Cc1nc(N(C)CC[N@@H+](C)C2CCCC2)c(C#N)c(C)c1C ZINC001529178873 1187539230 /nfs/dbraw/zinc/53/92/30/1187539230.db2.gz SFLAFZQLGOIOGP-UHFFFAOYSA-N 1 1 300.450 3.189 50 30 DGEAMO CSC(=N\N=C(/C)c1cc2ccccc2o1)/[NH+]=C/N(C)C ZINC000095747980 185383802 /nfs/dbraw/zinc/38/38/02/185383802.db2.gz VUQWKBJVXSTLOS-WDXQIZBGSA-N 1 1 302.403 3.466 50 30 DGEAMO Cc1ccc(C[NH+]2CCOCC2)cc1NCc1cccc(C#N)c1 ZINC000095429239 185362719 /nfs/dbraw/zinc/36/27/19/185362719.db2.gz CJHQPCCMRBLSDJ-UHFFFAOYSA-N 1 1 321.424 3.311 50 30 DGEAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000064725954 432009549 /nfs/dbraw/zinc/00/95/49/432009549.db2.gz XIMUHVLUTQNFDZ-DAYGRLMNSA-N 1 1 311.429 3.036 50 30 DGEAMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cc(F)cc(F)c1 ZINC000225629176 186284995 /nfs/dbraw/zinc/28/49/95/186284995.db2.gz QIEUQLJQAIMFMD-UHFFFAOYSA-N 1 1 308.372 3.497 50 30 DGEAMO CC(C)(C)[C@@](C)(O)C#CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000003999810 181060651 /nfs/dbraw/zinc/06/06/51/181060651.db2.gz IYKQTVFUXRFGAO-HKUYNNGSSA-N 1 1 300.446 3.409 50 30 biogenic DGEAMO CC(C)(C)[C@@](C)(O)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000003999810 181060654 /nfs/dbraw/zinc/06/06/54/181060654.db2.gz IYKQTVFUXRFGAO-HKUYNNGSSA-N 1 1 300.446 3.409 50 30 biogenic DGEAMO CC(C)c1nnc(CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)o1 ZINC000131775536 432038569 /nfs/dbraw/zinc/03/85/69/432038569.db2.gz OFRUIRMOHLRSJB-UHFFFAOYSA-N 1 1 318.421 3.198 50 30 DGEAMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(F)cc1 ZINC000005719509 181276577 /nfs/dbraw/zinc/27/65/77/181276577.db2.gz NSJVWZSRKSURAR-ANKZSMJWSA-N 1 1 302.271 3.328 50 30 DGEAMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000170627034 432074615 /nfs/dbraw/zinc/07/46/15/432074615.db2.gz OBLRNUNVODUUJA-DLBZAZTESA-N 1 1 319.493 3.476 50 30 DGEAMO C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093705679 193295595 /nfs/dbraw/zinc/29/55/95/193295595.db2.gz OASPQKFVUARFCE-CYBMUJFWSA-N 1 1 310.426 3.330 50 30 DGEAMO COc1ccccc1/C=N\N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000019773329 182145565 /nfs/dbraw/zinc/14/55/65/182145565.db2.gz SMKSMIHXIFJKQR-QNGOZBTKSA-N 1 1 323.440 3.155 50 30 DGEAMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000022197672 182312488 /nfs/dbraw/zinc/31/24/88/182312488.db2.gz RLKZMMSVABUIKM-LBPRGKRZSA-N 1 1 317.458 3.169 50 30 DGEAMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C#CC(C)(C)O)s1 ZINC000065421027 184342306 /nfs/dbraw/zinc/34/23/06/184342306.db2.gz GCFILIYIOVKGDE-UHFFFAOYSA-N 1 1 318.442 3.107 50 30 DGEAMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C#CC(C)(C)O)s1 ZINC000065421027 184342307 /nfs/dbraw/zinc/34/23/07/184342307.db2.gz GCFILIYIOVKGDE-UHFFFAOYSA-N 1 1 318.442 3.107 50 30 DGEAMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#CC(C)(C)O)s2)o1 ZINC000065526578 184359830 /nfs/dbraw/zinc/35/98/30/184359830.db2.gz IZSUFCAMACHBGZ-UHFFFAOYSA-N 1 1 303.427 3.404 50 30 DGEAMO Cc1ccc(C[N@H+](C)Cc2ccc(C#CC(C)(C)O)s2)o1 ZINC000065526578 184359831 /nfs/dbraw/zinc/35/98/31/184359831.db2.gz IZSUFCAMACHBGZ-UHFFFAOYSA-N 1 1 303.427 3.404 50 30 DGEAMO N#Cc1ccc(F)c(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000241277715 256603175 /nfs/dbraw/zinc/60/31/75/256603175.db2.gz LINYSSZDXIRISD-JKSUJKDBSA-N 1 1 320.433 3.184 50 30 DGEAMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000095431936 400274462 /nfs/dbraw/zinc/27/44/62/400274462.db2.gz FZIBGVJAPDFWHU-GJZGRUSLSA-N 1 1 307.401 3.186 50 30 DGEAMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000095431936 400274467 /nfs/dbraw/zinc/27/44/67/400274467.db2.gz FZIBGVJAPDFWHU-GJZGRUSLSA-N 1 1 307.401 3.186 50 30 DGEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000000000688 431111442 /nfs/dbraw/zinc/11/14/42/431111442.db2.gz LOUPRKONTZGTKE-NIHZBZNOSA-N 1 1 324.424 3.173 50 30 world DGEAMO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3sccc3C2)cc1 ZINC000026343775 431672690 /nfs/dbraw/zinc/67/26/90/431672690.db2.gz HFHPSISIYIEQDR-UHFFFAOYSA-N 1 1 311.410 3.007 50 30 DGEAMO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000029845028 431730423 /nfs/dbraw/zinc/73/04/23/431730423.db2.gz JMUAMOASHHDXLW-UHFFFAOYSA-N 1 1 301.390 3.081 50 30 DGEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(F)cc1F ZINC000051322598 431950931 /nfs/dbraw/zinc/95/09/31/431950931.db2.gz OHQYIAXOOUMSBJ-QGZVFWFLSA-N 1 1 302.324 3.002 50 30 DGEAMO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000096494244 431954342 /nfs/dbraw/zinc/95/43/42/431954342.db2.gz ZEHXHOVQPJVXGO-CABCVRRESA-N 1 1 321.465 3.400 50 30 DGEAMO C=CCn1ncc(C[N@H+]2CCCC[C@H]2CCn2cccn2)c1C ZINC000216191876 432647774 /nfs/dbraw/zinc/64/77/74/432647774.db2.gz SCZVQFVGHPJGAI-SFHVURJKSA-N 1 1 313.449 3.019 50 30 DGEAMO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000239321983 432814885 /nfs/dbraw/zinc/81/48/85/432814885.db2.gz IZMZXISIJWRYSS-OCCSQVGLSA-N 1 1 303.431 3.070 50 30 DGEAMO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000239321983 432814888 /nfs/dbraw/zinc/81/48/88/432814888.db2.gz IZMZXISIJWRYSS-OCCSQVGLSA-N 1 1 303.431 3.070 50 30 DGEAMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180426178 323229044 /nfs/dbraw/zinc/22/90/44/323229044.db2.gz FTGGSJYOZOWUBB-LBPRGKRZSA-N 1 1 311.341 3.326 50 30 DGEAMO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(C#N)nc1 ZINC000067688646 518710017 /nfs/dbraw/zinc/71/00/17/518710017.db2.gz XGSVXCBHXORPED-IBGZPJMESA-N 1 1 322.412 3.194 50 30 DGEAMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(OC)c(OC)c1)CC(C)C ZINC000036095649 518719596 /nfs/dbraw/zinc/71/95/96/518719596.db2.gz LDUNAIJSTHLOPA-QGZVFWFLSA-N 1 1 321.461 3.489 50 30 DGEAMO CCCOc1ccc(C(=O)O/N=C2\C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000004350620 520337448 /nfs/dbraw/zinc/33/74/48/520337448.db2.gz SZLKYLKGKTXXLR-JOUJLLDFSA-N 1 1 318.417 3.348 50 30 DGEAMO Cc1ccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C(C)C)s1 ZINC000058147675 524403995 /nfs/dbraw/zinc/40/39/95/524403995.db2.gz JLLIDUKNOBGNGS-KRWDZBQOSA-N 1 1 319.474 3.075 50 30 DGEAMO C[NH+](C)/C=C1\CCn2c1c(C#N)c1ncnc(-c3ccccc3)c12 ZINC000022341867 655672369 /nfs/dbraw/zinc/67/23/69/655672369.db2.gz CMJHOGAGGKSHSG-SDNWHVSQSA-N 1 1 315.380 3.276 50 30 DGEAMO C=CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012708433 657570881 /nfs/dbraw/zinc/57/08/81/657570881.db2.gz GOXWPKYNPKSMRM-HXUWFJFHSA-N 1 1 312.457 3.120 50 30 DGEAMO COC[C@H](C)[N@@H+](Cc1c[nH]c(C#N)c1)Cc1cccc(F)c1 ZINC000952988474 662210849 /nfs/dbraw/zinc/21/08/49/662210849.db2.gz RKNUCVLWICODJV-ZDUSSCGKSA-N 1 1 301.365 3.063 50 30 DGEAMO CCCCn1cc[nH+]c1[C@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000095522386 185377455 /nfs/dbraw/zinc/37/74/55/185377455.db2.gz DQXQKFKZLNWLKQ-INIZCTEOSA-N 1 1 309.417 3.334 50 30 DGEAMO C[C@@H]([NH2+][C@H](C)c1ccccc1F)C(=O)Nc1sccc1C#N ZINC000096923338 185391849 /nfs/dbraw/zinc/39/18/49/185391849.db2.gz UYNYSGKTAYEWSR-GHMZBOCLSA-N 1 1 317.389 3.437 50 30 DGEAMO CCc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)o1 ZINC000067834380 432043209 /nfs/dbraw/zinc/04/32/09/432043209.db2.gz NFSZTIXZOSKIAY-IINYFYTJSA-N 1 1 308.385 3.049 50 30 DGEAMO C[NH+](C)[C@@H](CNC(=S)Nc1ccccc1)c1cccnc1 ZINC000020234847 182199310 /nfs/dbraw/zinc/19/93/10/182199310.db2.gz FVVXMBTYFRNMAK-HNNXBMFYSA-N 1 1 300.431 3.082 50 30 DGEAMO Cc1cccc(NC(=S)NC[C@@H](c2cccnc2)[NH+](C)C)c1 ZINC000020234873 182199444 /nfs/dbraw/zinc/19/94/44/182199444.db2.gz FAEPGMOWWWEYCC-INIZCTEOSA-N 1 1 314.458 3.391 50 30 DGEAMO C(#Cc1ccccc1)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000022867257 182338609 /nfs/dbraw/zinc/33/86/09/182338609.db2.gz TXPQTYVWQWGYCL-QPEQYQDCSA-N 1 1 316.448 3.369 50 30 DGEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000004685173 400084979 /nfs/dbraw/zinc/08/49/79/400084979.db2.gz FEEOVHRXTFJXBV-UHFFFAOYSA-N 1 1 309.152 3.471 50 30 DGEAMO [NH2+]=C(NOC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000005102213 431307896 /nfs/dbraw/zinc/30/78/96/431307896.db2.gz CUUJGGQFDNUIPC-UHFFFAOYSA-N 1 1 320.348 3.082 50 30 DGEAMO [NH2+]=C(NOC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005044159 431308847 /nfs/dbraw/zinc/30/88/47/431308847.db2.gz OWRVQHQSGCMZFZ-UHFFFAOYSA-N 1 1 323.179 3.400 50 30 DGEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000075132348 431453886 /nfs/dbraw/zinc/45/38/86/431453886.db2.gz RDVQLCFJEHTYCP-QGZVFWFLSA-N 1 1 312.392 3.385 50 30 DGEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000075132348 431453893 /nfs/dbraw/zinc/45/38/93/431453893.db2.gz RDVQLCFJEHTYCP-QGZVFWFLSA-N 1 1 312.392 3.385 50 30 DGEAMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N1CCOCC1 ZINC000012545438 431516724 /nfs/dbraw/zinc/51/67/24/431516724.db2.gz ZQKDQQZVSJHHRB-UHFFFAOYSA-N 1 1 321.424 3.027 50 30 DGEAMO C=CCn1c(=O)c2c([n-]c1=S)sc1c2CC(C)(C)[N@@H+](C)C1 ZINC000020840828 431626327 /nfs/dbraw/zinc/62/63/27/431626327.db2.gz NDDUBLGQKFFMCH-UHFFFAOYSA-N 1 1 321.471 3.073 50 30 DGEAMO C=CCn1c(=O)c2c([n-]c1=S)sc1c2CC(C)(C)N(C)C1 ZINC000020840828 431626334 /nfs/dbraw/zinc/62/63/34/431626334.db2.gz NDDUBLGQKFFMCH-UHFFFAOYSA-N 1 1 321.471 3.073 50 30 DGEAMO N#Cc1ccccc1C[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000097679868 431973722 /nfs/dbraw/zinc/97/37/22/431973722.db2.gz OBEQHKBRLATNMY-UHFFFAOYSA-N 1 1 309.388 3.410 50 30 DGEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1cc(F)ccc1F ZINC000051322601 431950927 /nfs/dbraw/zinc/95/09/27/431950927.db2.gz QSNOLPWVMXBVRQ-QGZVFWFLSA-N 1 1 302.324 3.002 50 30 DGEAMO CC(C)c1nnc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[nH]1 ZINC000096452083 431951003 /nfs/dbraw/zinc/95/10/03/431951003.db2.gz XJFZRCKFAQBIAM-GFCCVEGCSA-N 1 1 305.426 3.171 50 30 DGEAMO CC(C)c1n[nH]c(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000096452083 431951004 /nfs/dbraw/zinc/95/10/04/431951004.db2.gz XJFZRCKFAQBIAM-GFCCVEGCSA-N 1 1 305.426 3.171 50 30 DGEAMO CC(C)c1n[nH]c(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000096452083 431951007 /nfs/dbraw/zinc/95/10/07/431951007.db2.gz XJFZRCKFAQBIAM-GFCCVEGCSA-N 1 1 305.426 3.171 50 30 DGEAMO CC(C)c1nc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000096452083 431951008 /nfs/dbraw/zinc/95/10/08/431951008.db2.gz XJFZRCKFAQBIAM-GFCCVEGCSA-N 1 1 305.426 3.171 50 30 DGEAMO CC(C)c1nc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000096452083 431951009 /nfs/dbraw/zinc/95/10/09/431951009.db2.gz XJFZRCKFAQBIAM-GFCCVEGCSA-N 1 1 305.426 3.171 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccccc3O)CC2)c(C)c1 ZINC000252320618 432375008 /nfs/dbraw/zinc/37/50/08/432375008.db2.gz FGGHCLKXAKTTDB-UHFFFAOYSA-N 1 1 323.440 3.161 50 30 DGEAMO Clc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000244626639 432821986 /nfs/dbraw/zinc/82/19/86/432821986.db2.gz FPOJNXYBFPHMSF-UHFFFAOYSA-N 1 1 313.832 3.492 50 30 DGEAMO O[C@H](C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000245257383 432825263 /nfs/dbraw/zinc/82/52/63/432825263.db2.gz ZDUIFRUINDFUOW-VQTJNVASSA-N 1 1 306.409 3.346 50 30 biogenic DGEAMO O[C@H](C#CC[N@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000245257383 432825265 /nfs/dbraw/zinc/82/52/65/432825265.db2.gz ZDUIFRUINDFUOW-VQTJNVASSA-N 1 1 306.409 3.346 50 30 biogenic DGEAMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(C)nn1 ZINC000067804230 518721288 /nfs/dbraw/zinc/72/12/88/518721288.db2.gz MAKMHZWVOJGGGH-QGZVFWFLSA-N 1 1 312.417 3.026 50 30 DGEAMO C=CCc1cc(Cl)ccc1OCCC[NH+]1CCN(C)CC1 ZINC000020118162 519132814 /nfs/dbraw/zinc/13/28/14/519132814.db2.gz AFTZEHUHCDRJRF-UHFFFAOYSA-N 1 1 308.853 3.085 50 30 DGEAMO Cc1c(C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2)cc(C#N)n1C ZINC000670460773 547758347 /nfs/dbraw/zinc/75/83/47/547758347.db2.gz MYWNUVOEIBQNKI-UHFFFAOYSA-N 1 1 319.412 3.227 50 30 DGEAMO N#Cc1nccnc1NCC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001506419710 1186225671 /nfs/dbraw/zinc/22/56/71/1186225671.db2.gz VNQCBXNPPGTEDK-QGZVFWFLSA-N 1 1 321.428 3.205 50 30 DGEAMO C=CCN1C[C@@H](C)[N@H+](Cc2cccc(Cn3cccn3)c2)C[C@H]1C ZINC000820478037 1091624830 /nfs/dbraw/zinc/62/48/30/1091624830.db2.gz HLIRVMDJFSLATI-QZTJIDSGSA-N 1 1 324.472 3.012 50 30 DGEAMO C=CC[N@@H+]1C[C@@H](C)N(Cc2cccc(Cn3cccn3)c2)C[C@H]1C ZINC000820478037 1091624848 /nfs/dbraw/zinc/62/48/48/1091624848.db2.gz HLIRVMDJFSLATI-QZTJIDSGSA-N 1 1 324.472 3.012 50 30 DGEAMO N#Cc1cccnc1N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072458192 191173275 /nfs/dbraw/zinc/17/32/75/191173275.db2.gz YUHFFLGSIXTBTO-LJQANCHMSA-N 1 1 320.440 3.462 50 30 DGEAMO C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093705678 193295712 /nfs/dbraw/zinc/29/57/12/193295712.db2.gz OASPQKFVUARFCE-ZDUSSCGKSA-N 1 1 310.426 3.330 50 30 DGEAMO C[N@H+]1Cc2c(c(C#N)c(N)n(-c3ccccc3)c2=S)CC1(C)C ZINC000024983628 277207781 /nfs/dbraw/zinc/20/77/81/277207781.db2.gz UQCWFHGWKKOMLP-UHFFFAOYSA-N 1 1 324.453 3.427 50 30 DGEAMO C[N@@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000108365281 431136295 /nfs/dbraw/zinc/13/62/95/431136295.db2.gz RCEHBDNKBSKLPO-DOTOQJQBSA-N 1 1 314.339 3.089 50 30 DGEAMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000108365281 431136301 /nfs/dbraw/zinc/13/63/01/431136301.db2.gz RCEHBDNKBSKLPO-DOTOQJQBSA-N 1 1 314.339 3.089 50 30 DGEAMO CCCN(CC#N)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000069416957 431184568 /nfs/dbraw/zinc/18/45/68/431184568.db2.gz MCXGJNDUXGHPHO-UHFFFAOYSA-N 1 1 301.434 3.293 50 30 DGEAMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[NH+](CC)CC2)c1 ZINC000000205644 431145027 /nfs/dbraw/zinc/14/50/27/431145027.db2.gz ODQLGWLWNHCCSK-UHFFFAOYSA-N 1 1 315.461 3.302 50 30 DGEAMO N#Cc1cccc(CNC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000011035535 431472374 /nfs/dbraw/zinc/47/23/74/431472374.db2.gz ISEORPMZOKFMOC-UHFFFAOYSA-N 1 1 305.425 3.312 50 30 DGEAMO C=CCCC(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000012702945 431521913 /nfs/dbraw/zinc/52/19/13/431521913.db2.gz IXDIJSKEXRLOMU-IBGZPJMESA-N 1 1 314.473 3.366 50 30 DGEAMO C=CCCC(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000012702939 431522501 /nfs/dbraw/zinc/52/25/01/431522501.db2.gz IXDIJSKEXRLOMU-LJQANCHMSA-N 1 1 314.473 3.366 50 30 DGEAMO COc1ccc(Cl)cc1C(=O)ONC(=[NH2+])c1cccc(C)c1 ZINC000012655301 431523554 /nfs/dbraw/zinc/52/35/54/431523554.db2.gz XUZJSHVJRSLTGQ-UHFFFAOYSA-N 1 1 318.760 3.134 50 30 DGEAMO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cccc(C#N)c1 ZINC000016429886 431613306 /nfs/dbraw/zinc/61/33/06/431613306.db2.gz XYCXPOXDXSAAMI-UHFFFAOYSA-N 1 1 316.408 3.435 50 30 DGEAMO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cccc(C#N)c1 ZINC000016429886 431613313 /nfs/dbraw/zinc/61/33/13/431613313.db2.gz XYCXPOXDXSAAMI-UHFFFAOYSA-N 1 1 316.408 3.435 50 30 DGEAMO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccccc1C#N ZINC000055252746 431978730 /nfs/dbraw/zinc/97/87/30/431978730.db2.gz CEYSEDAOFVIHJM-KRWDZBQOSA-N 1 1 300.427 3.393 50 30 DGEAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccccc1C#N ZINC000055252746 431978731 /nfs/dbraw/zinc/97/87/31/431978731.db2.gz CEYSEDAOFVIHJM-KRWDZBQOSA-N 1 1 300.427 3.393 50 30 DGEAMO N#Cc1ccc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000096403992 431945354 /nfs/dbraw/zinc/94/53/54/431945354.db2.gz UMIVIWGDEFDJAB-NRFANRHFSA-N 1 1 319.452 3.212 50 30 DGEAMO N#Cc1ccc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000096403992 431945356 /nfs/dbraw/zinc/94/53/56/431945356.db2.gz UMIVIWGDEFDJAB-NRFANRHFSA-N 1 1 319.452 3.212 50 30 DGEAMO C=CCNc1ccccc1C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000055325114 431980343 /nfs/dbraw/zinc/98/03/43/431980343.db2.gz LUOJDKOMUUERSF-UHFFFAOYSA-N 1 1 315.461 3.088 50 30 DGEAMO CCCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)CC ZINC000102324928 431992950 /nfs/dbraw/zinc/99/29/50/431992950.db2.gz DFLIOLBUTSRIFA-WBVHZDCISA-N 1 1 304.434 3.199 50 30 DGEAMO CCCOc1ccc(C(=O)ON=C2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000252628850 432384960 /nfs/dbraw/zinc/38/49/60/432384960.db2.gz SZLKYLKGKTXXLR-KBPBESRZSA-N 1 1 318.417 3.348 50 30 DGEAMO C#CC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)[C@H]1CCc2ccccc21 ZINC000241720782 432817453 /nfs/dbraw/zinc/81/74/53/432817453.db2.gz QSDIHVSSEMHBBK-AHRSYUTCSA-N 1 1 324.468 3.304 50 30 DGEAMO C#CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)[C@H]1CCc2ccccc21 ZINC000241720782 432817456 /nfs/dbraw/zinc/81/74/56/432817456.db2.gz QSDIHVSSEMHBBK-AHRSYUTCSA-N 1 1 324.468 3.304 50 30 DGEAMO CCOc1ccccc1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000244574865 432820965 /nfs/dbraw/zinc/82/09/65/432820965.db2.gz CSOCDXBNNWJKLT-UHFFFAOYSA-N 1 1 323.440 3.237 50 30 DGEAMO O[C@@H](C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000245257382 432824659 /nfs/dbraw/zinc/82/46/59/432824659.db2.gz ZDUIFRUINDFUOW-PMACEKPBSA-N 1 1 306.409 3.346 50 30 biogenic DGEAMO O[C@@H](C#CC[N@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000245257382 432824661 /nfs/dbraw/zinc/82/46/61/432824661.db2.gz ZDUIFRUINDFUOW-PMACEKPBSA-N 1 1 306.409 3.346 50 30 biogenic DGEAMO Clc1ccccc1C=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000245231882 432824696 /nfs/dbraw/zinc/82/46/96/432824696.db2.gz LSJRRRNUMMUDPM-UHFFFAOYSA-N 1 1 313.832 3.492 50 30 DGEAMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCCC(=O)NC(N)=O)C2)cc1 ZINC000328587687 434283441 /nfs/dbraw/zinc/28/34/41/434283441.db2.gz FENXAFKHGBYQNH-UKRRQHHQSA-N 1 1 303.406 3.402 50 30 DGEAMO Cn1cc[nH+]c1N1CCC(NC(=O)c2sccc2Cl)CC1 ZINC000329084636 434352901 /nfs/dbraw/zinc/35/29/01/434352901.db2.gz FVJZDPKGYWVWSZ-UHFFFAOYSA-N 1 1 324.837 3.109 50 30 DGEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccccc1 ZINC000036097686 518988878 /nfs/dbraw/zinc/98/88/78/518988878.db2.gz UMHZQEFQOLIGTO-SFHVURJKSA-N 1 1 315.413 3.154 50 30 DGEAMO C=CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000036098684 518995562 /nfs/dbraw/zinc/99/55/62/518995562.db2.gz DHCCMCWXJUCSLT-GOSISDBHSA-N 1 1 315.413 3.154 50 30 DGEAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(CC#N)cc1 ZINC000071904957 523169550 /nfs/dbraw/zinc/16/95/50/523169550.db2.gz LPGRJAJXONEUQF-QGZVFWFLSA-N 1 1 314.433 3.139 50 30 DGEAMO N#CCCCOc1cccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000092616062 526446004 /nfs/dbraw/zinc/44/60/04/526446004.db2.gz UITYPMATZUQFRV-GOSISDBHSA-N 1 1 313.445 3.039 50 30 DGEAMO N#CCCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831268 526446724 /nfs/dbraw/zinc/44/67/24/526446724.db2.gz CSLDWVULFPNNHQ-UHFFFAOYSA-N 1 1 301.217 3.482 50 30 DGEAMO Clc1cccc(C=NN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000239125197 546294248 /nfs/dbraw/zinc/29/42/48/546294248.db2.gz KBUIURUSSHIMGT-UHFFFAOYSA-N 1 1 313.832 3.492 50 30 DGEAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1c(F)cc(C#N)cc1F ZINC000225597614 186281508 /nfs/dbraw/zinc/28/15/08/186281508.db2.gz DUCANLSVTHULPO-CYBMUJFWSA-N 1 1 302.328 3.010 50 30 DGEAMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000003407559 181015863 /nfs/dbraw/zinc/01/58/63/181015863.db2.gz YEHPLXYOJABIHO-UHFFFAOYSA-N 1 1 313.788 3.282 50 30 DGEAMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000003407559 181015864 /nfs/dbraw/zinc/01/58/64/181015864.db2.gz YEHPLXYOJABIHO-UHFFFAOYSA-N 1 1 313.788 3.282 50 30 DGEAMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000105637364 194116858 /nfs/dbraw/zinc/11/68/58/194116858.db2.gz PNOBYZCQKNZJRV-IIYDPXPESA-N 1 1 321.852 3.434 50 30 DGEAMO CCOC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181007616 400887230 /nfs/dbraw/zinc/88/72/30/400887230.db2.gz RDGQTUOYAODEGG-UHFFFAOYSA-N 1 1 323.234 3.322 50 30 DGEAMO N#Cc1ccc(C(=O)c2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000002515276 431254422 /nfs/dbraw/zinc/25/44/22/431254422.db2.gz HQXUDMCIEVVXEU-UHFFFAOYSA-N 1 1 322.433 3.338 50 30 DGEAMO N#Cc1cccc(C(=O)c2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000002515275 431255475 /nfs/dbraw/zinc/25/54/75/431255475.db2.gz VITORILKRNVDLX-UHFFFAOYSA-N 1 1 322.433 3.338 50 30 DGEAMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCOc1ccccc1 ZINC000071844475 431298220 /nfs/dbraw/zinc/29/82/20/431298220.db2.gz ANJGUQFXVWANDN-QGZVFWFLSA-N 1 1 318.461 3.200 50 30 DGEAMO 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[NH2+]=C(NOC(=O)CCc1ccccc1)c1ccc(Cl)cc1 ZINC000005101483 431308855 /nfs/dbraw/zinc/30/88/55/431308855.db2.gz GSJUTPQHHQKMJT-UHFFFAOYSA-N 1 1 302.761 3.136 50 30 DGEAMO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000007418968 431346432 /nfs/dbraw/zinc/34/64/32/431346432.db2.gz CFAFBAVUFUORHF-AWEZNQCLSA-N 1 1 323.396 3.026 50 30 DGEAMO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000007418968 431346440 /nfs/dbraw/zinc/34/64/40/431346440.db2.gz CFAFBAVUFUORHF-AWEZNQCLSA-N 1 1 323.396 3.026 50 30 DGEAMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000007786665 431363774 /nfs/dbraw/zinc/36/37/74/431363774.db2.gz AMLLMORKSUSTAG-UHFFFAOYSA-N 1 1 317.458 3.311 50 30 DGEAMO N#CCSCCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000074982055 431443423 /nfs/dbraw/zinc/44/34/23/431443423.db2.gz RCSPNWYMMZLTBG-UHFFFAOYSA-N 1 1 309.523 3.221 50 30 DGEAMO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCCSCC#N ZINC000074990134 431449199 /nfs/dbraw/zinc/44/91/99/431449199.db2.gz VUVWQFOASCCQFC-INIZCTEOSA-N 1 1 304.459 3.485 50 30 DGEAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000013042168 431542846 /nfs/dbraw/zinc/54/28/46/431542846.db2.gz FKKIZTIWKYSTHI-TXEJJXNPSA-N 1 1 305.809 3.128 50 30 DGEAMO Cc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)oc1C ZINC000067804534 280284587 /nfs/dbraw/zinc/28/45/87/280284587.db2.gz OCLKIPSOYBVFBC-SMDDNHRTSA-N 1 1 308.385 3.104 50 30 DGEAMO C=C(C)COc1ccc(NC(=O)NCC[C@H]2CCC[N@@H+]2C)cc1 ZINC000096139538 431939874 /nfs/dbraw/zinc/93/98/74/431939874.db2.gz FKHONSNUCQGMGU-MRXNPFEDSA-N 1 1 317.433 3.247 50 30 DGEAMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000096477252 431953339 /nfs/dbraw/zinc/95/33/39/431953339.db2.gz IUEGMKJBBSWVPH-CQSZACIVSA-N 1 1 303.406 3.286 50 30 DGEAMO N#Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000052635920 431957207 /nfs/dbraw/zinc/95/72/07/431957207.db2.gz QFZQDXRJXXWQTR-UHFFFAOYSA-N 1 1 305.425 3.312 50 30 DGEAMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC000153343246 432401403 /nfs/dbraw/zinc/40/14/03/432401403.db2.gz XBQZCHYXUILZNB-OKILXGFUSA-N 1 1 317.820 3.272 50 30 DGEAMO C[NH+](C)CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000004820954 282059680 /nfs/dbraw/zinc/05/96/80/282059680.db2.gz GARCBSJGVRQAJH-LLVKDONJSA-N 1 1 319.474 3.271 50 30 DGEAMO C=C(C)CSc1nnc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC000000529889 518627504 /nfs/dbraw/zinc/62/75/04/518627504.db2.gz PAEJGUPETMTWKB-ZDUSSCGKSA-N 1 1 314.414 3.462 50 30 DGEAMO C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1 ZINC000036100365 518984251 /nfs/dbraw/zinc/98/42/51/518984251.db2.gz IYBZGFWLQKOJMY-SFHVURJKSA-N 1 1 321.461 3.107 50 30 DGEAMO C=C[C@@](C)(O)C[N@@H+](Cc1ccc(OC)c(OC)c1)CC(C)C ZINC000036115428 519299314 /nfs/dbraw/zinc/29/93/14/519299314.db2.gz JVKKZRSAOYZQAV-GOSISDBHSA-N 1 1 307.434 3.099 50 30 DGEAMO CC(/C=N/N1CC[NH+](Cc2ccccc2)CC1)=C\c1ccco1 ZINC000025575271 519348223 /nfs/dbraw/zinc/34/82/23/519348223.db2.gz KHVODCYHOPRVHY-YCJXTATNSA-N 1 1 309.413 3.487 50 30 DGEAMO Cc1ccc(S[C@H](C)C(=O)ONC(=[NH2+])c2ccccc2)cc1 ZINC000004832758 525668873 /nfs/dbraw/zinc/66/88/73/525668873.db2.gz DXJSDNIWDJIYTN-CYBMUJFWSA-N 1 1 314.410 3.339 50 30 DGEAMO C[C@H](CC#N)[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000065476017 526218646 /nfs/dbraw/zinc/21/86/46/526218646.db2.gz QNTJFBWDGUYTKA-OCCSQVGLSA-N 1 1 314.364 3.357 50 30 DGEAMO C[C@H](CC#N)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000065476017 526218651 /nfs/dbraw/zinc/21/86/51/526218651.db2.gz QNTJFBWDGUYTKA-OCCSQVGLSA-N 1 1 314.364 3.357 50 30 DGEAMO CC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000077242423 545740077 /nfs/dbraw/zinc/74/00/77/545740077.db2.gz GXXZOXXOTJLJCS-LLVKDONJSA-N 1 1 305.447 3.167 50 30 DGEAMO Cc1c[nH+]c(CCNC(=O)c2cccc(C#N)c2)n1C1CCCC1 ZINC000581815313 1092282607 /nfs/dbraw/zinc/28/26/07/1092282607.db2.gz FEXYUQUIKKJCNA-UHFFFAOYSA-N 1 1 322.412 3.151 50 30 DGEAMO Cc1ccc(C[N@@H+](CCCO)Cc2ccc(C#N)cc2)s1 ZINC000063845826 432007671 /nfs/dbraw/zinc/00/76/71/432007671.db2.gz XQCCWZHGMKSTTR-UHFFFAOYSA-N 1 1 300.427 3.313 50 30 DGEAMO CCn1cc(C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)cc1C#N ZINC000072151602 191056471 /nfs/dbraw/zinc/05/64/71/191056471.db2.gz GRORCCJUIKWIEV-UHFFFAOYSA-N 1 1 319.412 3.197 50 30 DGEAMO N#Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000003459477 181022839 /nfs/dbraw/zinc/02/28/39/181022839.db2.gz XJCWNPWVTMLLSH-KRWDZBQOSA-N 1 1 323.396 3.108 50 30 DGEAMO CC[NH+]1CCN(c2oc(-c3cccc(Cl)c3)nc2C#N)CC1 ZINC000005254547 181222139 /nfs/dbraw/zinc/22/21/39/181222139.db2.gz QZELEPQMCGQWSQ-UHFFFAOYSA-N 1 1 316.792 3.009 50 30 DGEAMO CCOC(=O)C1CC[NH+](CC#C[C@]2(C)CCCC(C)(C)O2)CC1 ZINC000006668840 181368065 /nfs/dbraw/zinc/36/80/65/181368065.db2.gz BRLJMXBCXSXEHS-IBGZPJMESA-N 1 1 321.461 3.003 50 30 DGEAMO CCOC(=O)C1CC[NH+](CC#C[C@@]2(C)CCCC(C)(C)O2)CC1 ZINC000006668841 181368121 /nfs/dbraw/zinc/36/81/21/181368121.db2.gz BRLJMXBCXSXEHS-LJQANCHMSA-N 1 1 321.461 3.003 50 30 DGEAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1ccc(C#N)o1 ZINC000093318817 193232436 /nfs/dbraw/zinc/23/24/36/193232436.db2.gz BBKRPTYKAMVLCT-UZLBHIALSA-N 1 1 323.440 3.494 50 30 DGEAMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000093318817 193232438 /nfs/dbraw/zinc/23/24/38/193232438.db2.gz BBKRPTYKAMVLCT-UZLBHIALSA-N 1 1 323.440 3.494 50 30 DGEAMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093318817 193232439 /nfs/dbraw/zinc/23/24/39/193232439.db2.gz BBKRPTYKAMVLCT-UZLBHIALSA-N 1 1 323.440 3.494 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3cccc(C)c3)CC2)cc1 ZINC000019834192 182155121 /nfs/dbraw/zinc/15/51/21/182155121.db2.gz QGMSXNMLJGFDAB-RCCKNPSSSA-N 1 1 307.441 3.455 50 30 DGEAMO Cc1ccccc1NC(=S)NC[C@H](c1cccnc1)[NH+](C)C ZINC000020234869 182199333 /nfs/dbraw/zinc/19/93/33/182199333.db2.gz CGRAGOYECIKOMO-MRXNPFEDSA-N 1 1 314.458 3.391 50 30 DGEAMO Cc1cc(N2CCC(Nc3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000267376347 206021440 /nfs/dbraw/zinc/02/14/40/206021440.db2.gz KTJUNGOCIKXBKH-UHFFFAOYSA-N 1 1 307.401 3.046 50 30 DGEAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Nc2ccc(C#N)cc2)C1 ZINC000040145660 183040109 /nfs/dbraw/zinc/04/01/09/183040109.db2.gz JSOZNXZOMAKGIW-GASCZTMLSA-N 1 1 314.433 3.048 50 30 DGEAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000106515579 194222598 /nfs/dbraw/zinc/22/25/98/194222598.db2.gz QLWNQKXBVTWZEX-DAYGRLMNSA-N 1 1 311.429 3.036 50 30 DGEAMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#CC(C)(C)O)s1 ZINC000065399015 184336653 /nfs/dbraw/zinc/33/66/53/184336653.db2.gz QQXBWBYYTJKPFZ-AWEZNQCLSA-N 1 1 314.454 3.459 50 30 DGEAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#CC(C)(C)O)s1 ZINC000065399015 184336655 /nfs/dbraw/zinc/33/66/55/184336655.db2.gz QQXBWBYYTJKPFZ-AWEZNQCLSA-N 1 1 314.454 3.459 50 30 DGEAMO CCCCCCC[C@H]1NC(=[NH2+])NC(=N)N1c1cccc(C)c1 ZINC000097973066 400287629 /nfs/dbraw/zinc/28/76/29/400287629.db2.gz WVZXAZHRFNXYRX-HNNXBMFYSA-N 1 1 301.438 3.131 50 30 DGEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000072299910 400379990 /nfs/dbraw/zinc/37/99/90/400379990.db2.gz FAVCDOPRLGDZQD-MRXNPFEDSA-N 1 1 308.385 3.198 50 30 DGEAMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000072299910 400379997 /nfs/dbraw/zinc/37/99/97/400379997.db2.gz FAVCDOPRLGDZQD-MRXNPFEDSA-N 1 1 308.385 3.198 50 30 DGEAMO C=CC[C@H](CC)NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000252509295 401096193 /nfs/dbraw/zinc/09/61/93/401096193.db2.gz YJWZRVJUCBNXAQ-INIZCTEOSA-N 1 1 316.449 3.144 50 30 DGEAMO C[N@H+]1CCCC[C@H]1C#CC(O)(c1ccccc1)c1ccccc1 ZINC000005092229 431309626 /nfs/dbraw/zinc/30/96/26/431309626.db2.gz QPSGWSBZUFXGMK-FQEVSTJZSA-N 1 1 305.421 3.410 50 30 DGEAMO CCc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000002653972 431260264 /nfs/dbraw/zinc/26/02/64/431260264.db2.gz CZYAOSWPXHWZCA-UHFFFAOYSA-N 1 1 307.397 3.191 50 30 DGEAMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000002653972 431260270 /nfs/dbraw/zinc/26/02/70/431260270.db2.gz CZYAOSWPXHWZCA-UHFFFAOYSA-N 1 1 307.397 3.191 50 30 DGEAMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000007785378 431365190 /nfs/dbraw/zinc/36/51/90/431365190.db2.gz LBCFKKLIXVOZND-UHFFFAOYSA-N 1 1 313.788 3.282 50 30 DGEAMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000007785378 431365202 /nfs/dbraw/zinc/36/52/02/431365202.db2.gz LBCFKKLIXVOZND-UHFFFAOYSA-N 1 1 313.788 3.282 50 30 DGEAMO C=CC[N@H+](C)Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2C)cc1 ZINC000075138202 431458415 /nfs/dbraw/zinc/45/84/15/431458415.db2.gz KTCSDRLMLIZREA-INIZCTEOSA-N 1 1 323.440 3.323 50 30 DGEAMO Cc1ccc(C(=O)NCC#CC[N@H+](C)Cc2ccccc2)cc1C ZINC000075165118 431460326 /nfs/dbraw/zinc/46/03/26/431460326.db2.gz PTXSKQUYCGIFSO-UHFFFAOYSA-N 1 1 320.436 3.169 50 30 DGEAMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000012683867 431521634 /nfs/dbraw/zinc/52/16/34/431521634.db2.gz LUSYUOQSMYBSMD-TXEJJXNPSA-N 1 1 317.458 3.025 50 30 DGEAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000012683867 431521643 /nfs/dbraw/zinc/52/16/43/431521643.db2.gz LUSYUOQSMYBSMD-TXEJJXNPSA-N 1 1 317.458 3.025 50 30 DGEAMO N#Cc1ccccc1NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000025118950 431649590 /nfs/dbraw/zinc/64/95/90/431649590.db2.gz ZHQIKRDAFIKEMO-UHFFFAOYSA-N 1 1 305.381 3.161 50 30 DGEAMO N#Cc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000025118950 431649597 /nfs/dbraw/zinc/64/95/97/431649597.db2.gz ZHQIKRDAFIKEMO-UHFFFAOYSA-N 1 1 305.381 3.161 50 30 DGEAMO C[N@H+](CC(=O)Nc1c(C#N)oc2ccccc21)Cc1ccccc1 ZINC000044875120 431878397 /nfs/dbraw/zinc/87/83/97/431878397.db2.gz HASWGOZJJYOQEG-UHFFFAOYSA-N 1 1 319.364 3.375 50 30 DGEAMO C[N@@H+](CC(=O)Nc1c(C#N)oc2ccccc21)Cc1ccccc1 ZINC000044875120 431878399 /nfs/dbraw/zinc/87/83/99/431878399.db2.gz HASWGOZJJYOQEG-UHFFFAOYSA-N 1 1 319.364 3.375 50 30 DGEAMO C=CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000053316513 431962026 /nfs/dbraw/zinc/96/20/26/431962026.db2.gz CFAYVIBBUAQLOH-UHFFFAOYSA-N 1 1 318.373 3.392 50 30 DGEAMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(F)c1C#N ZINC000252671168 432386917 /nfs/dbraw/zinc/38/69/17/432386917.db2.gz MWTRZQPDQLFVPO-RDTXWAMCSA-N 1 1 324.403 3.415 50 30 DGEAMO N#Cc1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)c(F)c1 ZINC000342197737 433533308 /nfs/dbraw/zinc/53/33/08/433533308.db2.gz FYPVYZZSGRTGFU-UHFFFAOYSA-N 1 1 310.328 3.205 50 30 DGEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C)cc1 ZINC000036101777 518305307 /nfs/dbraw/zinc/30/53/07/518305307.db2.gz RSFMYHPVFPAWDS-NRFANRHFSA-N 1 1 323.436 3.008 50 30 DGEAMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012573707 518695814 /nfs/dbraw/zinc/69/58/14/518695814.db2.gz UFBMQGOQJRQUTO-GOSISDBHSA-N 1 1 300.446 3.166 50 30 DGEAMO C=CCSc1nnc([C@H]2CCC[N@@H+](Cc3ccoc3)C2)n1C ZINC000019227988 519092537 /nfs/dbraw/zinc/09/25/37/519092537.db2.gz SPQAVTXNNSDOQT-AWEZNQCLSA-N 1 1 318.446 3.066 50 30 DGEAMO C=C[C@](C)(O)C[N@@H+](Cc1ccc(OC)c(OC)c1)CC(C)C ZINC000036115429 519304578 /nfs/dbraw/zinc/30/45/78/519304578.db2.gz JVKKZRSAOYZQAV-SFHVURJKSA-N 1 1 307.434 3.099 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(/N=C/C=C/c3ccco3)CC2)cc1 ZINC000024269897 524452744 /nfs/dbraw/zinc/45/27/44/524452744.db2.gz KAIZNBGVGBCMFQ-SETFCPTBSA-N 1 1 309.413 3.405 50 30 DGEAMO C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1CCCOc1ccc(C(N)=O)cc1 ZINC001529100784 1187532447 /nfs/dbraw/zinc/53/24/47/1187532447.db2.gz ZKTDYTWAJBQOGL-NVXWUHKLSA-N 1 1 314.429 3.150 50 30 DGEAMO C=C(C)COc1ccccc1NC(=O)[C@H]1CCCCC[N@@H+]1C ZINC000820530607 1091624803 /nfs/dbraw/zinc/62/48/03/1091624803.db2.gz APSZCCSMPSILHG-MRXNPFEDSA-N 1 1 302.418 3.454 50 30 DGEAMO Cc1ccc(C#N)c(N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000072141951 191049542 /nfs/dbraw/zinc/04/95/42/191049542.db2.gz NLHQDYAMRNRWDB-LJQANCHMSA-N 1 1 320.440 3.363 50 30 DGEAMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000072299854 191114124 /nfs/dbraw/zinc/11/41/24/191114124.db2.gz RKSMBNRLPNMIDT-MRXNPFEDSA-N 1 1 308.385 3.198 50 30 DGEAMO N#Cc1c(N)sc(=S)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000004411254 181107215 /nfs/dbraw/zinc/10/72/15/181107215.db2.gz LROMJUZVIXUUQW-UHFFFAOYSA-N 1 1 313.451 3.490 50 30 aggregator DGEAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)Cc1ccc(C#N)o1 ZINC000093318818 193232147 /nfs/dbraw/zinc/23/21/47/193232147.db2.gz BBKRPTYKAMVLCT-JXFKEZNVSA-N 1 1 323.440 3.494 50 30 DGEAMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000093318818 193232149 /nfs/dbraw/zinc/23/21/49/193232149.db2.gz BBKRPTYKAMVLCT-JXFKEZNVSA-N 1 1 323.440 3.494 50 30 DGEAMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093318818 193232152 /nfs/dbraw/zinc/23/21/52/193232152.db2.gz BBKRPTYKAMVLCT-JXFKEZNVSA-N 1 1 323.440 3.494 50 30 DGEAMO C(#Cc1ccccc1)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019363072 182118948 /nfs/dbraw/zinc/11/89/48/182118948.db2.gz TXPQTYVWQWGYCL-NTUHNPAUSA-N 1 1 316.448 3.369 50 30 DGEAMO CCc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019790534 182148749 /nfs/dbraw/zinc/14/87/49/182148749.db2.gz DOWZIOLVPXYXPC-LTGZKZEYSA-N 1 1 307.441 3.401 50 30 DGEAMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000040161848 183041961 /nfs/dbraw/zinc/04/19/61/183041961.db2.gz PNOBYZCQKNZJRV-DCGLDWPTSA-N 1 1 321.852 3.434 50 30 DGEAMO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccco1)C1CC1 ZINC000058440720 184119076 /nfs/dbraw/zinc/11/90/76/184119076.db2.gz LIAIFBSKCKDQDD-UHFFFAOYSA-N 1 1 309.369 3.144 50 30 DGEAMO N#C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000244724229 228618401 /nfs/dbraw/zinc/61/84/01/228618401.db2.gz MQFTZOKKNKDKQD-NSHDSACASA-N 1 1 309.772 3.043 50 30 DGEAMO N#C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000244724229 228618405 /nfs/dbraw/zinc/61/84/05/228618405.db2.gz MQFTZOKKNKDKQD-NSHDSACASA-N 1 1 309.772 3.043 50 30 DGEAMO C[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000108365275 431136551 /nfs/dbraw/zinc/13/65/51/431136551.db2.gz SZEADQNAHUXGNQ-JKSUJKDBSA-N 1 1 314.339 3.089 50 30 DGEAMO C[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000108365275 431136554 /nfs/dbraw/zinc/13/65/54/431136554.db2.gz SZEADQNAHUXGNQ-JKSUJKDBSA-N 1 1 314.339 3.089 50 30 DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000001319234 431218997 /nfs/dbraw/zinc/21/89/97/431218997.db2.gz LOUPRKONTZGTKE-AFHBHXEDSA-N 1 1 324.424 3.173 50 30 biogenic,world DGEAMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000002893869 431274255 /nfs/dbraw/zinc/27/42/55/431274255.db2.gz OHOMNOQXIKBNGR-MRXNPFEDSA-N 1 1 303.402 3.027 50 30 DGEAMO N#Cc1cccc(C(=O)NCC2=CC[N@H+]([C@H]3C=CCCC3)CC2)c1 ZINC000071278513 431275492 /nfs/dbraw/zinc/27/54/92/431275492.db2.gz GFMDGJDOGOCTCW-IBGZPJMESA-N 1 1 321.424 3.029 50 30 DGEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccc(F)c1 ZINC000007420453 431347900 /nfs/dbraw/zinc/34/79/00/431347900.db2.gz AGUISSNOSWDZQH-CYBMUJFWSA-N 1 1 311.360 3.156 50 30 DGEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccc(F)c1 ZINC000007420453 431347906 /nfs/dbraw/zinc/34/79/06/431347906.db2.gz AGUISSNOSWDZQH-CYBMUJFWSA-N 1 1 311.360 3.156 50 30 DGEAMO C[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000007787673 431364674 /nfs/dbraw/zinc/36/46/74/431364674.db2.gz RNIHJWDPEDAAKB-GFCCVEGCSA-N 1 1 317.458 3.169 50 30 DGEAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000007787673 431364681 /nfs/dbraw/zinc/36/46/81/431364681.db2.gz RNIHJWDPEDAAKB-GFCCVEGCSA-N 1 1 317.458 3.169 50 30 DGEAMO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000008268312 431390496 /nfs/dbraw/zinc/39/04/96/431390496.db2.gz IZMZXISIJWRYSS-TZMCWYRMSA-N 1 1 303.431 3.070 50 30 DGEAMO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000008268312 431390503 /nfs/dbraw/zinc/39/05/03/431390503.db2.gz IZMZXISIJWRYSS-TZMCWYRMSA-N 1 1 303.431 3.070 50 30 DGEAMO CN(C)/C=[NH+]/c1c(C#N)cnn1-c1ccc(Cl)c(Cl)c1 ZINC000012861452 431532411 /nfs/dbraw/zinc/53/24/11/431532411.db2.gz JZCSTCBRZNHBNI-CAOOACKPSA-N 1 1 308.172 3.272 50 30 DGEAMO Cc1nc(C#N)c(NC[C@H](c2ccco2)[NH+]2CCCCC2)o1 ZINC000027992886 431700366 /nfs/dbraw/zinc/70/03/66/431700366.db2.gz HRBPWYVCXFPQKZ-CQSZACIVSA-N 1 1 300.362 3.087 50 30 DGEAMO N#Cc1ccc(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000085651237 431841771 /nfs/dbraw/zinc/84/17/71/431841771.db2.gz BZCYKQOMURKCTD-UHFFFAOYSA-N 1 1 322.433 3.338 50 30 DGEAMO C=CCn1cc(C[N@@H+](Cc2ccsc2)C(C)(C)CO)c(C)n1 ZINC000055100507 431977660 /nfs/dbraw/zinc/97/76/60/431977660.db2.gz QYXJUHABLHOQEU-UHFFFAOYSA-N 1 1 319.474 3.212 50 30 DGEAMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000095967765 431928747 /nfs/dbraw/zinc/92/87/47/431928747.db2.gz BUUGWSYYZCXXRA-OAHLLOKOSA-N 1 1 318.461 3.395 50 30 DGEAMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000095964961 431929220 /nfs/dbraw/zinc/92/92/20/431929220.db2.gz MKTRYSUJDADGHP-IBGZPJMESA-N 1 1 317.429 3.132 50 30 DGEAMO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095978625 431930463 /nfs/dbraw/zinc/93/04/63/431930463.db2.gz RCEHBDNKBSKLPO-WBVHZDCISA-N 1 1 314.339 3.089 50 30 DGEAMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095978625 431930465 /nfs/dbraw/zinc/93/04/65/431930465.db2.gz RCEHBDNKBSKLPO-WBVHZDCISA-N 1 1 314.339 3.089 50 30 DGEAMO C=C(C)COc1ccc(NC(=O)NCC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000096139537 431939944 /nfs/dbraw/zinc/93/99/44/431939944.db2.gz FKHONSNUCQGMGU-INIZCTEOSA-N 1 1 317.433 3.247 50 30 DGEAMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000096477250 431952940 /nfs/dbraw/zinc/95/29/40/431952940.db2.gz IUEGMKJBBSWVPH-AWEZNQCLSA-N 1 1 303.406 3.286 50 30 DGEAMO C=C(C)CN(C)C(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000096497036 431954403 /nfs/dbraw/zinc/95/44/03/431954403.db2.gz CCYGJWAUVXVKBF-AEFFLSMTSA-N 1 1 315.461 3.115 50 30 DGEAMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)c(Br)c1 ZINC000096496389 431954501 /nfs/dbraw/zinc/95/45/01/431954501.db2.gz QKMGVNDXEOUCNN-CQSZACIVSA-N 1 1 323.234 3.058 50 30 DGEAMO CN(C)/C=[NH+]/c1sc2c(c1C#N)CCN(Cc1ccccc1)C2 ZINC000100125746 431981185 /nfs/dbraw/zinc/98/11/85/431981185.db2.gz RUBBMRULCUDNQP-DEDYPNTBSA-N 1 1 324.453 3.399 50 30 DGEAMO CCCOc1ccc(C(=O)ON=C2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000252628851 432385107 /nfs/dbraw/zinc/38/51/07/432385107.db2.gz SZLKYLKGKTXXLR-KGLIPLIRSA-N 1 1 318.417 3.348 50 30 DGEAMO C=C(C)COc1ccc(C(=O)N(C)C[C@H]2CCCC[N@H+]2C)cc1 ZINC000055393474 518613709 /nfs/dbraw/zinc/61/37/09/518613709.db2.gz PZYNYXXIDKEJFR-QGZVFWFLSA-N 1 1 316.445 3.198 50 30 DGEAMO CCCOc1ccc(C(=O)ONC(=[NH2+])c2ccc(F)cc2)cc1 ZINC000035672005 520337245 /nfs/dbraw/zinc/33/72/45/520337245.db2.gz VHFZLRKFHAIGNJ-UHFFFAOYSA-N 1 1 316.332 3.092 50 30 DGEAMO C=CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012708438 657571302 /nfs/dbraw/zinc/57/13/02/657571302.db2.gz GOXWPKYNPKSMRM-FQEVSTJZSA-N 1 1 312.457 3.120 50 30 DGEAMO C=C(C)CN1CCN(Cc2cccc([C@@H](C)[NH+](C)C)c2)CC1 ZINC001704351315 1202522437 /nfs/dbraw/zinc/52/24/37/1202522437.db2.gz GYXVOGOAFCVGHZ-QGZVFWFLSA-N 1 1 301.478 3.003 50 30 DGEAMO COc1cccc([C@@H]2CC[N@@H+]2Cc2cc(C#CCO)cs2)c1 ZINC000828644550 1091840127 /nfs/dbraw/zinc/84/01/27/1091840127.db2.gz CSAMFLDIGUHGHI-SFHVURJKSA-N 1 1 313.422 3.048 50 30 DGEAMO COc1cccc([C@@H]2CC[N@H+]2Cc2cc(C#CCO)cs2)c1 ZINC000828644550 1091840131 /nfs/dbraw/zinc/84/01/31/1091840131.db2.gz CSAMFLDIGUHGHI-SFHVURJKSA-N 1 1 313.422 3.048 50 30 DGEAMO Cc1cnc(C)n1C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000575547768 1092047433 /nfs/dbraw/zinc/04/74/33/1092047433.db2.gz WHHHSCVGXHRODO-IBGZPJMESA-N 1 1 308.429 3.284 50 30 DGEAMO Cc1cnc(C)n1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000575547768 1092047441 /nfs/dbraw/zinc/04/74/41/1092047441.db2.gz WHHHSCVGXHRODO-IBGZPJMESA-N 1 1 308.429 3.284 50 30 DGEAMO CCCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000095522385 185377607 /nfs/dbraw/zinc/37/76/07/185377607.db2.gz DQXQKFKZLNWLKQ-MRXNPFEDSA-N 1 1 309.417 3.334 50 30 DGEAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1c(F)cc(C#N)cc1F ZINC000225597649 186281349 /nfs/dbraw/zinc/28/13/49/186281349.db2.gz DUCANLSVTHULPO-ZDUSSCGKSA-N 1 1 302.328 3.010 50 30 DGEAMO N#Cc1cccc(N2CCC(c3[nH+]ccn3CC3CCC3)CC2)n1 ZINC000091943000 193130018 /nfs/dbraw/zinc/13/00/18/193130018.db2.gz HOFDATTWRLHAPD-UHFFFAOYSA-N 1 1 321.428 3.334 50 30 DGEAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(-c3ccccc3C#N)o1)C2 ZINC000092078382 193154109 /nfs/dbraw/zinc/15/41/09/193154109.db2.gz YQUXYBCBFFXNMK-DOTOQJQBSA-N 1 1 321.424 3.344 50 30 DGEAMO CC/C(=N/N1CC[NH+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC000019850214 182157340 /nfs/dbraw/zinc/15/73/40/182157340.db2.gz NPBAAEHDGBGKAA-MRCUWXFGSA-N 1 1 323.440 3.324 50 30 DGEAMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1-n1cccn1 ZINC000065489294 184352985 /nfs/dbraw/zinc/35/29/85/184352985.db2.gz PWRTWXBCLPAROB-UHFFFAOYSA-N 1 1 302.381 3.376 50 30 DGEAMO C[C@H](CC#CC[N@@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000003626905 400084334 /nfs/dbraw/zinc/08/43/34/400084334.db2.gz WUQNJBRYTZCEJM-MJGOQNOKSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO C[C@H](CC#CC[N@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000003626905 400084337 /nfs/dbraw/zinc/08/43/37/400084337.db2.gz WUQNJBRYTZCEJM-MJGOQNOKSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO Cc1ccccc1C[N@H+]1CCCN(CCCSCC#N)CC1 ZINC000074981156 400552020 /nfs/dbraw/zinc/55/20/20/400552020.db2.gz DFBRTAWLOXIWED-UHFFFAOYSA-N 1 1 317.502 3.150 50 30 DGEAMO Cc1ccccc1CN1CCC[N@H+](CCCSCC#N)CC1 ZINC000074981156 400552022 /nfs/dbraw/zinc/55/20/22/400552022.db2.gz DFBRTAWLOXIWED-UHFFFAOYSA-N 1 1 317.502 3.150 50 30 DGEAMO Cc1ccccc1CN1CCC[N@@H+](CCCSCC#N)CC1 ZINC000074981156 400552024 /nfs/dbraw/zinc/55/20/24/400552024.db2.gz DFBRTAWLOXIWED-UHFFFAOYSA-N 1 1 317.502 3.150 50 30 DGEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)cc1 ZINC000007267429 431337773 /nfs/dbraw/zinc/33/77/73/431337773.db2.gz BJFMBWAKSUFILE-CYBMUJFWSA-N 1 1 311.360 3.156 50 30 DGEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000007267429 431337777 /nfs/dbraw/zinc/33/77/77/431337777.db2.gz BJFMBWAKSUFILE-CYBMUJFWSA-N 1 1 311.360 3.156 50 30 DGEAMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000007680438 431360301 /nfs/dbraw/zinc/36/03/01/431360301.db2.gz JUVQVKSMFCXAOO-UHFFFAOYSA-N 1 1 311.223 3.204 50 30 DGEAMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000007680438 431360307 /nfs/dbraw/zinc/36/03/07/431360307.db2.gz JUVQVKSMFCXAOO-UHFFFAOYSA-N 1 1 311.223 3.204 50 30 DGEAMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000007811460 431365503 /nfs/dbraw/zinc/36/55/03/431365503.db2.gz OLBTZXFWULYLTM-VXGBXAGGSA-N 1 1 305.809 3.128 50 30 DGEAMO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sccc1C#N ZINC000009496133 431438082 /nfs/dbraw/zinc/43/80/82/431438082.db2.gz FEQOXPIEBGTSOX-ZDUSSCGKSA-N 1 1 313.426 3.387 50 30 DGEAMO Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1sccc1C#N ZINC000009496133 431438090 /nfs/dbraw/zinc/43/80/90/431438090.db2.gz FEQOXPIEBGTSOX-ZDUSSCGKSA-N 1 1 313.426 3.387 50 30 DGEAMO Cc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)ccc1F ZINC000067446710 280284511 /nfs/dbraw/zinc/28/45/11/280284511.db2.gz JZKYJANLPKXGOK-BLLLJJGKSA-N 1 1 322.387 3.341 50 30 DGEAMO C=CCn1c(C[N@@H+](C)CC(C)C)nnc1SCC(=C)Cl ZINC000014994907 431601145 /nfs/dbraw/zinc/60/11/45/431601145.db2.gz CFZMOHYWEAZEBF-UHFFFAOYSA-N 1 1 314.886 3.397 50 30 DGEAMO C=CCn1c(C[N@H+](C)CC(C)C)nnc1SCC(=C)Cl ZINC000014994907 431601149 /nfs/dbraw/zinc/60/11/49/431601149.db2.gz CFZMOHYWEAZEBF-UHFFFAOYSA-N 1 1 314.886 3.397 50 30 DGEAMO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)Nc1sccc1C#N ZINC000014135380 431580346 /nfs/dbraw/zinc/58/03/46/431580346.db2.gz KXARCOQMVAPPJJ-LLVKDONJSA-N 1 1 319.455 3.449 50 30 DGEAMO Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)Nc1sccc1C#N ZINC000014135380 431580351 /nfs/dbraw/zinc/58/03/51/431580351.db2.gz KXARCOQMVAPPJJ-LLVKDONJSA-N 1 1 319.455 3.449 50 30 DGEAMO C[N@@H+](CC(=O)Nc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000029482506 431723383 /nfs/dbraw/zinc/72/33/83/431723383.db2.gz YFCRKKWEUXHNTL-GOSISDBHSA-N 1 1 305.381 3.116 50 30 DGEAMO CCCC[N@@H+](Cc1ccco1)Cc1cc(C#CCO)cs1 ZINC000055060609 431975509 /nfs/dbraw/zinc/97/55/09/431975509.db2.gz FCEQPGHHHOXBGF-UHFFFAOYSA-N 1 1 303.427 3.487 50 30 DGEAMO CC[C@](C)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)OC(C)=O ZINC000055243831 431978532 /nfs/dbraw/zinc/97/85/32/431978532.db2.gz ZENQODAVRHWOBM-RTBURBONSA-N 1 1 314.429 3.344 50 30 DGEAMO CC[C@](C)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)OC(C)=O ZINC000055243831 431978535 /nfs/dbraw/zinc/97/85/35/431978535.db2.gz ZENQODAVRHWOBM-RTBURBONSA-N 1 1 314.429 3.344 50 30 DGEAMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(C#N)c[nH]3)c2C1 ZINC000095979257 431931071 /nfs/dbraw/zinc/93/10/71/431931071.db2.gz UZMNYLJJBDTZOA-UHFFFAOYSA-N 1 1 308.385 3.110 50 30 DGEAMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000195544408 432626212 /nfs/dbraw/zinc/62/62/12/432626212.db2.gz FZIBGVJAPDFWHU-HUUCEWRRSA-N 1 1 307.401 3.186 50 30 DGEAMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000195544408 432626215 /nfs/dbraw/zinc/62/62/15/432626215.db2.gz FZIBGVJAPDFWHU-HUUCEWRRSA-N 1 1 307.401 3.186 50 30 DGEAMO C[C@H](CC#N)[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000229427918 432720865 /nfs/dbraw/zinc/72/08/65/432720865.db2.gz QNTJFBWDGUYTKA-TZMCWYRMSA-N 1 1 314.364 3.357 50 30 DGEAMO C[C@H](CC#N)[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000229427918 432720870 /nfs/dbraw/zinc/72/08/70/432720870.db2.gz QNTJFBWDGUYTKA-TZMCWYRMSA-N 1 1 314.364 3.357 50 30 DGEAMO CC[N@@H+]1C[C@@H](C)N(CC(=O)NCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000328593634 434287910 /nfs/dbraw/zinc/28/79/10/434287910.db2.gz QVWQHUDFASOVDJ-OKILXGFUSA-N 1 1 323.868 3.211 50 30 DGEAMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-] ZINC000328596512 434288437 /nfs/dbraw/zinc/28/84/37/434288437.db2.gz YDMWGMAWSKUELY-WMADIVHISA-N 1 1 323.368 3.432 50 30 DGEAMO C=CCc1cc(C)ccc1OCCCCN1CC[NH+](C)CC1 ZINC000020118211 519129280 /nfs/dbraw/zinc/12/92/80/519129280.db2.gz GQMVVRUTEPRJJO-UHFFFAOYSA-N 1 1 302.462 3.130 50 30 DGEAMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000004834236 519145869 /nfs/dbraw/zinc/14/58/69/519145869.db2.gz NUJCOLBHEVAPPE-SFHVURJKSA-N 1 1 303.446 3.419 50 30 DGEAMO Cc1ccsc1C[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000014138839 525840027 /nfs/dbraw/zinc/84/00/27/525840027.db2.gz RUXVRUNDAPVRBK-UHFFFAOYSA-N 1 1 319.474 3.173 50 30 DGEAMO Cc1ccsc1C[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000014138839 525840033 /nfs/dbraw/zinc/84/00/33/525840033.db2.gz RUXVRUNDAPVRBK-UHFFFAOYSA-N 1 1 319.474 3.173 50 30 DGEAMO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2C(=O)c1ccnc2ccc(OC)cc21 ZINC000003875576 560191219 /nfs/dbraw/zinc/19/12/19/560191219.db2.gz SRFCUPVBYYAMIL-CKFHNAJUSA-N 1 1 322.408 3.323 50 30 biogenic,in-vitro DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2C(=O)c1ccnc2ccc(OC)cc21 ZINC000003875576 560191220 /nfs/dbraw/zinc/19/12/20/560191220.db2.gz SRFCUPVBYYAMIL-CKFHNAJUSA-N 1 1 322.408 3.323 50 30 biogenic,in-vitro DGEAMO Cc1cc(C)nc(C[N@@H+](C)Cc2ccc(C#CCCO)cc2)c1 ZINC000952964340 662208766 /nfs/dbraw/zinc/20/87/66/662208766.db2.gz PKVYIAYKNRJTJE-UHFFFAOYSA-N 1 1 308.425 3.064 50 30 DGEAMO COC[C@@H](C)[N@@H+](Cc1c[nH]c(C#N)c1)Cc1cccc(F)c1 ZINC000952988453 662210834 /nfs/dbraw/zinc/21/08/34/662210834.db2.gz RKNUCVLWICODJV-CYBMUJFWSA-N 1 1 301.365 3.063 50 30 DGEAMO C=CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(C)c1 ZINC000036100766 119367877 /nfs/dbraw/zinc/36/78/77/119367877.db2.gz VSCOAIZFSBQVKU-LJQANCHMSA-N 1 1 305.462 3.407 50 30 DGEAMO Cc1ccc(C#N)c(N2CCC(c3[nH+]ccn3CC3CC3)CC2)n1 ZINC000082120598 192358547 /nfs/dbraw/zinc/35/85/47/192358547.db2.gz WWEQKQUQCGQMHU-UHFFFAOYSA-N 1 1 321.428 3.252 50 30 DGEAMO Cc1cnccc1C[N@@H+](C)Cc1ccc(C#CC(C)(C)O)s1 ZINC000067648854 432033650 /nfs/dbraw/zinc/03/36/50/432033650.db2.gz YARRQAFDWFORMQ-UHFFFAOYSA-N 1 1 314.454 3.206 50 30 DGEAMO [NH2+]=C(NOC(=O)C=Cc1ccccc1)c1ccc(Cl)cc1 ZINC000004322625 181097999 /nfs/dbraw/zinc/09/79/99/181097999.db2.gz ISFHCZLAGJYRTJ-IZZDOVSWSA-N 1 1 300.745 3.217 50 30 DGEAMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411994587 283142489 /nfs/dbraw/zinc/14/24/89/283142489.db2.gz ZROJKJCDVIGTRV-HXUWFJFHSA-N 1 1 318.376 3.168 50 30 DGEAMO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000411994587 283142490 /nfs/dbraw/zinc/14/24/90/283142490.db2.gz ZROJKJCDVIGTRV-HXUWFJFHSA-N 1 1 318.376 3.168 50 30 DGEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(O)cc1 ZINC000019593984 182133217 /nfs/dbraw/zinc/13/32/17/182133217.db2.gz BLGMJKWEWOVJDV-HEHNFIMWSA-N 1 1 323.440 3.242 50 30 DGEAMO CCC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000021918758 182298114 /nfs/dbraw/zinc/29/81/14/182298114.db2.gz BUJIXOZWGZGXRA-UHFFFAOYSA-N 1 1 313.426 3.470 50 30 DGEAMO C=CCSCC(=O)Nc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000056110318 184004806 /nfs/dbraw/zinc/00/48/06/184004806.db2.gz DMOQSHUEYYDQNV-UHFFFAOYSA-N 1 1 305.378 3.178 50 30 DGEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000058169676 184083850 /nfs/dbraw/zinc/08/38/50/184083850.db2.gz XWFIDFSQQVHNPY-GOSISDBHSA-N 1 1 319.408 3.409 50 30 DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000003831404 400083736 /nfs/dbraw/zinc/08/37/36/400083736.db2.gz LOUPRKONTZGTKE-WZBLMQSHSA-N 1 1 324.424 3.173 50 30 biogenic,fda DGEAMO CCC[N@H+]1CCc2nc(N)c(C#N)c(-c3cc(C)c(C)o3)c2C1 ZINC000072156441 431331376 /nfs/dbraw/zinc/33/13/76/431331376.db2.gz KXRHIRWRLDDKRR-UHFFFAOYSA-N 1 1 310.401 3.180 50 30 DGEAMO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000007788335 431364557 /nfs/dbraw/zinc/36/45/57/431364557.db2.gz WAPAEIJEBQYZEP-UHFFFAOYSA-N 1 1 323.371 3.300 50 30 DGEAMO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000007788335 431364562 /nfs/dbraw/zinc/36/45/62/431364562.db2.gz WAPAEIJEBQYZEP-UHFFFAOYSA-N 1 1 323.371 3.300 50 30 DGEAMO CCc1nc(C#N)c(NC[C@@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC000027990679 431700195 /nfs/dbraw/zinc/70/01/95/431700195.db2.gz ARDYUSTWYMFWCH-AWEZNQCLSA-N 1 1 318.808 3.477 50 30 DGEAMO N#Cc1cccc(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000085651235 431841241 /nfs/dbraw/zinc/84/12/41/431841241.db2.gz GTQDDVCJYXWRLY-UHFFFAOYSA-N 1 1 322.433 3.338 50 30 DGEAMO N#Cc1ccccc1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000085651234 431841612 /nfs/dbraw/zinc/84/16/12/431841612.db2.gz UZMQNADVVBQFRH-UHFFFAOYSA-N 1 1 322.433 3.338 50 30 DGEAMO C#Cc1ccc(C[N@H+](CCO)Cc2cccc(OCC)c2)cc1 ZINC000055197526 431978569 /nfs/dbraw/zinc/97/85/69/431978569.db2.gz OKLWFZQFXVUKLH-UHFFFAOYSA-N 1 1 309.409 3.061 50 30 DGEAMO CC[C@@](C)(C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)OC(C)=O ZINC000055243827 431978587 /nfs/dbraw/zinc/97/85/87/431978587.db2.gz ZENQODAVRHWOBM-MOPGFXCFSA-N 1 1 314.429 3.344 50 30 DGEAMO CC[C@@](C)(C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)OC(C)=O ZINC000055243827 431978588 /nfs/dbraw/zinc/97/85/88/431978588.db2.gz ZENQODAVRHWOBM-MOPGFXCFSA-N 1 1 314.429 3.344 50 30 DGEAMO Cc1cc([C@@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)on1 ZINC000052010713 431953780 /nfs/dbraw/zinc/95/37/80/431953780.db2.gz QKVBIBSKUKHVTG-KRWDZBQOSA-N 1 1 311.385 3.461 50 30 DGEAMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](C)c1ccc(F)cc1 ZINC000252452434 432376545 /nfs/dbraw/zinc/37/65/45/432376545.db2.gz IICWJOFODBBTAH-ACJLOTCBSA-N 1 1 317.408 3.017 50 30 DGEAMO CCc1ocnc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000330859852 432925743 /nfs/dbraw/zinc/92/57/43/432925743.db2.gz RNNGUPOUHYFJAC-CYBMUJFWSA-N 1 1 307.438 3.442 50 30 DGEAMO CC[N@H+]1CCC[C@H](CN2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000215516119 333386902 /nfs/dbraw/zinc/38/69/02/333386902.db2.gz RVFFLTPLKBWCOB-SFHVURJKSA-N 1 1 311.473 3.276 50 30 DGEAMO C=C(C)CSc1nnc([C@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC000008554904 518626484 /nfs/dbraw/zinc/62/64/84/518626484.db2.gz PAEJGUPETMTWKB-CYBMUJFWSA-N 1 1 314.414 3.462 50 30 DGEAMO C=CC[N@H+](Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000067894844 518787198 /nfs/dbraw/zinc/78/71/98/518787198.db2.gz FALFNRAIRWKKHR-UHFFFAOYSA-N 1 1 319.408 3.420 50 30 DGEAMO C=CC[N@@H+](Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000067894844 518787207 /nfs/dbraw/zinc/78/72/07/518787207.db2.gz FALFNRAIRWKKHR-UHFFFAOYSA-N 1 1 319.408 3.420 50 30 DGEAMO C=CCSc1nnc([C@@H]2CCC[N@@H+](Cc3ccco3)C2)n1C ZINC000020999306 519089986 /nfs/dbraw/zinc/08/99/86/519089986.db2.gz SGRMLPLIHROZJZ-CYBMUJFWSA-N 1 1 318.446 3.066 50 30 DGEAMO C=CCc1cc(Cl)ccc1OCCCC[NH+]1CCNCC1 ZINC000022456438 519132567 /nfs/dbraw/zinc/13/25/67/519132567.db2.gz NIUXFNCYCDORSR-UHFFFAOYSA-N 1 1 308.853 3.133 50 30 DGEAMO C[C@@H](CC#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055214591 524336929 /nfs/dbraw/zinc/33/69/29/524336929.db2.gz WUQNJBRYTZCEJM-PKOBYXMFSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO C[C@@H](CC#CC[N@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055214591 524336933 /nfs/dbraw/zinc/33/69/33/524336933.db2.gz WUQNJBRYTZCEJM-PKOBYXMFSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccccc3C)CC2)cc1 ZINC000002945922 627551533 /nfs/dbraw/zinc/55/15/33/627551533.db2.gz QHNZTHYPZRSUQC-UHFFFAOYSA-N 1 1 307.441 3.455 50 30 DGEAMO N#CC1(c2ccccc2)CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC001704353275 1202522474 /nfs/dbraw/zinc/52/24/74/1202522474.db2.gz DGCIOJIFQQSMFP-UHFFFAOYSA-N 1 1 314.820 3.094 50 30 DGEAMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cccnc1 ZINC000095446675 185367508 /nfs/dbraw/zinc/36/75/08/185367508.db2.gz MKYKUVWKRWOEIA-UHFFFAOYSA-N 1 1 322.412 3.192 50 30 DGEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000072299942 191113998 /nfs/dbraw/zinc/11/39/98/191113998.db2.gz GOCKREMBXUNZBC-MRXNPFEDSA-N 1 1 308.385 3.198 50 30 DGEAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc(C#N)c(Cl)c1 ZINC000225598671 186281664 /nfs/dbraw/zinc/28/16/64/186281664.db2.gz QZHSCIVMOOARJG-HNNXBMFYSA-N 1 1 300.793 3.386 50 30 DGEAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccc(C#N)c(Cl)c1 ZINC000225598636 186281694 /nfs/dbraw/zinc/28/16/94/186281694.db2.gz QZHSCIVMOOARJG-OAHLLOKOSA-N 1 1 300.793 3.386 50 30 DGEAMO CS[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000107145894 432028617 /nfs/dbraw/zinc/02/86/17/432028617.db2.gz FALMGYAFFSLWQA-LSDHHAIUSA-N 1 1 317.458 3.103 50 30 DGEAMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000004834237 181159407 /nfs/dbraw/zinc/15/94/07/181159407.db2.gz NUJCOLBHEVAPPE-GOSISDBHSA-N 1 1 303.446 3.419 50 30 DGEAMO [NH2+]=C(NOC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000005042398 181195506 /nfs/dbraw/zinc/19/55/06/181195506.db2.gz PGZIHDYRFLOPGR-UHFFFAOYSA-N 1 1 309.152 3.471 50 30 DGEAMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000005324140 181229721 /nfs/dbraw/zinc/22/97/21/181229721.db2.gz MTXBTVAVTLIONV-UHFFFAOYSA-N 1 1 308.381 3.134 50 30 DGEAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000005324140 181229724 /nfs/dbraw/zinc/22/97/24/181229724.db2.gz MTXBTVAVTLIONV-UHFFFAOYSA-N 1 1 308.381 3.134 50 30 DGEAMO Cc1ccc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)c(C)c1 ZINC000018172988 182095749 /nfs/dbraw/zinc/09/57/49/182095749.db2.gz HALGWFBMXAPHOK-UHFFFAOYSA-N 1 1 302.761 3.434 50 30 DGEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccccc1O ZINC000019791111 182149336 /nfs/dbraw/zinc/14/93/36/182149336.db2.gz DWVGGOGBUBWLIH-HEHNFIMWSA-N 1 1 323.440 3.242 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3)CC2)c(C)c1 ZINC000019791013 182149396 /nfs/dbraw/zinc/14/93/96/182149396.db2.gz PGAHVLXOZSYDAQ-RCCKNPSSSA-N 1 1 307.441 3.455 50 30 DGEAMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000022197671 182313042 /nfs/dbraw/zinc/31/30/42/182313042.db2.gz RLKZMMSVABUIKM-GFCCVEGCSA-N 1 1 317.458 3.169 50 30 DGEAMO N#Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000023075031 182346485 /nfs/dbraw/zinc/34/64/85/182346485.db2.gz SONUUTWJYAOJOR-INIZCTEOSA-N 1 1 322.368 3.153 50 30 DGEAMO O[C@H](C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055243820 285347375 /nfs/dbraw/zinc/34/73/75/285347375.db2.gz ZDUIFRUINDFUOW-WOJBJXKFSA-N 1 1 306.409 3.346 50 30 biogenic DGEAMO O[C@H](C#CC[N@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000055243820 285347380 /nfs/dbraw/zinc/34/73/80/285347380.db2.gz ZDUIFRUINDFUOW-WOJBJXKFSA-N 1 1 306.409 3.346 50 30 biogenic DGEAMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NC1(C#N)CCCC1 ZINC000074236044 400499494 /nfs/dbraw/zinc/49/94/94/400499494.db2.gz NKKCPGAZOIWVAG-ZDUSSCGKSA-N 1 1 319.836 3.285 50 30 DGEAMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCC1 ZINC000074236044 400499497 /nfs/dbraw/zinc/49/94/97/400499497.db2.gz NKKCPGAZOIWVAG-ZDUSSCGKSA-N 1 1 319.836 3.285 50 30 DGEAMO C[NH+](C)CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000004820955 276777886 /nfs/dbraw/zinc/77/78/86/276777886.db2.gz GARCBSJGVRQAJH-NSHDSACASA-N 1 1 319.474 3.271 50 30 DGEAMO Cc1cccc(C(=[NH2+])NOC(=O)Cc2ccc(Cl)cc2)c1 ZINC000005073128 431306403 /nfs/dbraw/zinc/30/64/03/431306403.db2.gz MDCBSYFDRUQMRK-UHFFFAOYSA-N 1 1 302.761 3.055 50 30 DGEAMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000007811971 431365859 /nfs/dbraw/zinc/36/58/59/431365859.db2.gz LUSYUOQSMYBSMD-VXGBXAGGSA-N 1 1 317.458 3.025 50 30 DGEAMO O=C(C#Cc1ccccc1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012703044 431522299 /nfs/dbraw/zinc/52/22/99/431522299.db2.gz ZDHJDQOEQNKTAR-LJQANCHMSA-N 1 1 324.468 3.342 50 30 DGEAMO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943776 431887538 /nfs/dbraw/zinc/88/75/38/431887538.db2.gz BULKZKHSNBFMJY-MRXNPFEDSA-N 1 1 315.396 3.018 50 30 DGEAMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](C)c1ccc(F)cc1 ZINC000053088139 431960842 /nfs/dbraw/zinc/96/08/42/431960842.db2.gz IICWJOFODBBTAH-UGSOOPFHSA-N 1 1 317.408 3.017 50 30 DGEAMO CC(C)[N@@H+]1CC[C@@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000097097494 431960950 /nfs/dbraw/zinc/96/09/50/431960950.db2.gz XPFKBFBADCNOAA-ZBFHGGJFSA-N 1 1 323.799 3.033 50 30 DGEAMO CC(C)[N@H+]1CC[C@@H](NC(=O)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000097097494 431960952 /nfs/dbraw/zinc/96/09/52/431960952.db2.gz XPFKBFBADCNOAA-ZBFHGGJFSA-N 1 1 323.799 3.033 50 30 DGEAMO Cc1cc(C)c(C#N)c(NC[C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000097205241 431965071 /nfs/dbraw/zinc/96/50/71/431965071.db2.gz VTLYMFGPXVBYFK-INIZCTEOSA-N 1 1 320.440 3.429 50 30 DGEAMO CCCOc1ccc(C(=O)ON=C2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000252628853 432384391 /nfs/dbraw/zinc/38/43/91/432384391.db2.gz SZLKYLKGKTXXLR-ZIAGYGMSSA-N 1 1 318.417 3.348 50 30 DGEAMO C=CCC1(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCC1 ZINC000188032432 432700687 /nfs/dbraw/zinc/70/06/87/432700687.db2.gz PMTAIQYLQSMETF-UHFFFAOYSA-N 1 1 313.445 3.221 50 30 DGEAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCC(=O)N1 ZINC000328590458 434286294 /nfs/dbraw/zinc/28/62/94/434286294.db2.gz IIUJNFKMPXASEP-AWEZNQCLSA-N 1 1 312.373 3.146 50 30 DGEAMO Cc1cscc1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000328588010 434286926 /nfs/dbraw/zinc/28/69/26/434286926.db2.gz LUDAFTAOCJIZDA-HNNXBMFYSA-N 1 1 318.446 3.140 50 30 DGEAMO Cc1cscc1C[NH+]=C([O-])N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000328588010 434286948 /nfs/dbraw/zinc/28/69/48/434286948.db2.gz LUDAFTAOCJIZDA-HNNXBMFYSA-N 1 1 318.446 3.140 50 30 DGEAMO Cc1cscc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000328588011 434288137 /nfs/dbraw/zinc/28/81/37/434288137.db2.gz LUDAFTAOCJIZDA-OAHLLOKOSA-N 1 1 318.446 3.140 50 30 DGEAMO Cc1cscc1C[NH+]=C([O-])N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000328588011 434288164 /nfs/dbraw/zinc/28/81/64/434288164.db2.gz LUDAFTAOCJIZDA-OAHLLOKOSA-N 1 1 318.446 3.140 50 30 DGEAMO COc1cccc(N2CCC([N@H+]3CCC[C@@](C)(C#N)C3)CC2)c1 ZINC000670459780 547756938 /nfs/dbraw/zinc/75/69/38/547756938.db2.gz MQPCFIKCZOXTPF-IBGZPJMESA-N 1 1 313.445 3.290 50 30 DGEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc21 ZINC000002020519 627102612 /nfs/dbraw/zinc/10/26/12/627102612.db2.gz LOUPRKONTZGTKE-BBNYVJOESA-N 1 1 324.424 3.173 50 30 biogenic,world DGEAMO Cc1ccc(C#N)c(N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000072141949 191050097 /nfs/dbraw/zinc/05/00/97/191050097.db2.gz NLHQDYAMRNRWDB-IBGZPJMESA-N 1 1 320.440 3.363 50 30 DGEAMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(F)c1C#N ZINC000106930618 432025432 /nfs/dbraw/zinc/02/54/32/432025432.db2.gz MWTRZQPDQLFVPO-KBXCAEBGSA-N 1 1 324.403 3.415 50 30 DGEAMO [NH2+]=C(NOC(=O)c1cccs1)c1cccc(-n2cccc2)c1 ZINC000004299908 181094636 /nfs/dbraw/zinc/09/46/36/181094636.db2.gz XWYIEBKNKXWXCE-UHFFFAOYSA-N 1 1 311.366 3.016 50 30 DGEAMO CCCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C)CC ZINC000006111138 181313498 /nfs/dbraw/zinc/31/34/98/181313498.db2.gz DFLIOLBUTSRIFA-RDJZCZTQSA-N 1 1 304.434 3.199 50 30 DGEAMO C=CCc1cc(C)c(OCCCN2CC[NH+](C)CC2)c(C)c1 ZINC000020652656 182241866 /nfs/dbraw/zinc/24/18/66/182241866.db2.gz NXULWLODKXVHOU-UHFFFAOYSA-N 1 1 302.462 3.048 50 30 DGEAMO N#Cc1ccc(F)c(CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000022835605 182336869 /nfs/dbraw/zinc/33/68/69/182336869.db2.gz GMTLKJFBHXNTOW-UHFFFAOYSA-N 1 1 315.417 3.077 50 30 DGEAMO C[C@H]([NH2+]Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)cc1 ZINC000058161415 184082846 /nfs/dbraw/zinc/08/28/46/184082846.db2.gz AVTORZDIURWEKS-LBPRGKRZSA-N 1 1 313.788 3.328 50 30 DGEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000072299909 400380444 /nfs/dbraw/zinc/38/04/44/400380444.db2.gz FAVCDOPRLGDZQD-INIZCTEOSA-N 1 1 308.385 3.198 50 30 DGEAMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000072299909 400380447 /nfs/dbraw/zinc/38/04/47/400380447.db2.gz FAVCDOPRLGDZQD-INIZCTEOSA-N 1 1 308.385 3.198 50 30 DGEAMO O=C1c2ccc([O-])cc2CC/C1=C\c1ccc(-n2ccnc2)nc1 ZINC000170656998 400768801 /nfs/dbraw/zinc/76/88/01/400768801.db2.gz MGABDORGXWSNRK-OQLLNIDSSA-N 1 1 317.348 3.185 50 30 DGEAMO N#CCc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000007919898 431370669 /nfs/dbraw/zinc/37/06/69/431370669.db2.gz AOUINLGHNFSYKA-DLBZAZTESA-N 1 1 311.429 3.203 50 30 DGEAMO CC[NH+]1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000008829857 431413651 /nfs/dbraw/zinc/41/36/51/431413651.db2.gz AAJJLMKTUZDHEC-UHFFFAOYSA-N 1 1 317.380 3.260 50 30 DGEAMO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000008320442 431393063 /nfs/dbraw/zinc/39/30/63/431393063.db2.gz PJWJYJGTTPWPDS-HNNXBMFYSA-N 1 1 311.410 3.395 50 30 DGEAMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000008320442 431393075 /nfs/dbraw/zinc/39/30/75/431393075.db2.gz PJWJYJGTTPWPDS-HNNXBMFYSA-N 1 1 311.410 3.395 50 30 DGEAMO C=CCSc1nnc([C@@H]2CCC[N@H+](C/C(C)=C/C)C2)n1C ZINC000014953599 431597240 /nfs/dbraw/zinc/59/72/40/431597240.db2.gz QZUPVGZLKYVCCA-YGLIYXGISA-N 1 1 306.479 3.239 50 30 DGEAMO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sccc1C#N ZINC000014135382 431578166 /nfs/dbraw/zinc/57/81/66/431578166.db2.gz KXARCOQMVAPPJJ-NSHDSACASA-N 1 1 319.455 3.449 50 30 DGEAMO Cc1ccsc1C[N@H+](C)[C@@H](C)C(=O)Nc1sccc1C#N ZINC000014135382 431578172 /nfs/dbraw/zinc/57/81/72/431578172.db2.gz KXARCOQMVAPPJJ-NSHDSACASA-N 1 1 319.455 3.449 50 30 DGEAMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000029482712 431725365 /nfs/dbraw/zinc/72/53/65/431725365.db2.gz UHQFARDEUURQOO-GOSISDBHSA-N 1 1 305.381 3.116 50 30 DGEAMO C[C@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)Nc1sccc1C#N ZINC000032797272 431794384 /nfs/dbraw/zinc/79/43/84/431794384.db2.gz UYNYSGKTAYEWSR-QWRGUYRKSA-N 1 1 317.389 3.437 50 30 DGEAMO C=CCc1ccccc1OCC[N@H+](C)Cc1nc(C)ccc1O ZINC000055404897 431981437 /nfs/dbraw/zinc/98/14/37/431981437.db2.gz XLPVKEBPNCLJCZ-UHFFFAOYSA-N 1 1 312.413 3.335 50 30 DGEAMO CCCCNC(=S)N(C)[NH+]=Cc1ccc(N(CC)CC)cc1 ZINC000254295938 432402446 /nfs/dbraw/zinc/40/24/46/432402446.db2.gz VABVTHKLNOSQLM-UHFFFAOYSA-N 1 1 320.506 3.473 50 30 DGEAMO CC(C)NC(=S)N[NH+]=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000254569101 432403487 /nfs/dbraw/zinc/40/34/87/432403487.db2.gz LVUPMDBKTNFBRP-BZPDJMBLSA-N 1 1 316.474 3.156 50 30 DGEAMO CCNC(=S)N[NH+]=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000254771611 432405229 /nfs/dbraw/zinc/40/52/29/432405229.db2.gz PGLOCKJUXHPOLC-UHFFFAOYSA-N 1 1 318.490 3.275 50 30 DGEAMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000184974535 432450066 /nfs/dbraw/zinc/45/00/66/432450066.db2.gz POEIMDCFXPHXSX-CYBMUJFWSA-N 1 1 301.415 3.092 50 30 DGEAMO N#CC1(c2ccccc2)CCN(CC[N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000244608549 432822020 /nfs/dbraw/zinc/82/20/20/432822020.db2.gz FEMBTLAMUMGGCF-PKOBYXMFSA-N 1 1 309.457 3.028 50 30 DGEAMO C[NH+](C)Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1Cl ZINC000279895311 432997709 /nfs/dbraw/zinc/99/77/09/432997709.db2.gz FHAZEXSDITVEOF-UHFFFAOYSA-N 1 1 305.809 3.424 50 30 DGEAMO C=CCN1CC[N@@H+](Cc2ccc(-c3ccco3)cc2)CCC1=O ZINC000299774584 433383342 /nfs/dbraw/zinc/38/33/42/433383342.db2.gz HKPCICZIFSBMMI-UHFFFAOYSA-N 1 1 310.397 3.167 50 30 DGEAMO CN(C(=O)c1cccc(-c2cccc(C#N)c2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000426739610 433577625 /nfs/dbraw/zinc/57/76/25/433577625.db2.gz DMWDALRVXJEPHS-LJQANCHMSA-N 1 1 319.408 3.001 50 30 DGEAMO Cc1cc(F)ccc1-c1c(C#N)c(N)nc2c1[C@H]1CC[C@@H](C2)[N@@H+]1C ZINC000067673132 301307328 /nfs/dbraw/zinc/30/73/28/301307328.db2.gz CFEOFGOAOLVNIP-BLLLJJGKSA-N 1 1 322.387 3.341 50 30 DGEAMO COc1ccnc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000243893147 333570521 /nfs/dbraw/zinc/57/05/21/333570521.db2.gz AOLDTZUDWABRMD-UHFFFAOYSA-N 1 1 307.397 3.148 50 30 DGEAMO C=C(C)COc1ccc(NC(=O)[C@@H]2CCCCC[N@@H+]2C)cc1 ZINC000820530616 1091625764 /nfs/dbraw/zinc/62/57/64/1091625764.db2.gz NCQAOWGDRZNGJA-KRWDZBQOSA-N 1 1 302.418 3.454 50 30 DGEAMO C=CC[C@]1(CO)CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000091593486 193076243 /nfs/dbraw/zinc/07/62/43/193076243.db2.gz RNJNMOUIFSQQSL-IBGZPJMESA-N 1 1 313.445 3.207 50 30 DGEAMO C[N@H+]1CCc2nc(SCc3ccccc3F)c(C#N)cc2C1 ZINC000019597399 182132728 /nfs/dbraw/zinc/13/27/28/182132728.db2.gz AYSYGINBUFHXJH-UHFFFAOYSA-N 1 1 313.401 3.373 50 30 DGEAMO COc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000024990590 182397464 /nfs/dbraw/zinc/39/74/64/182397464.db2.gz HBLBQZKTNOGZLR-UHFFFAOYSA-N 1 1 321.424 3.279 50 30 DGEAMO CCOc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000238937455 257260149 /nfs/dbraw/zinc/26/01/49/257260149.db2.gz VNUAROAVXUOXEL-UHFFFAOYSA-N 1 1 323.440 3.237 50 30 DGEAMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000170632202 400767665 /nfs/dbraw/zinc/76/76/65/400767665.db2.gz YDFUSFAXXTWTHM-ZACQAIPSSA-N 1 1 317.477 3.324 50 30 DGEAMO Cc1ccc2cc(C[N@H+](CCC#N)C[C@H]3CCOC3)ccc2n1 ZINC000225477336 400958405 /nfs/dbraw/zinc/95/84/05/400958405.db2.gz NVDGZVXOIARRRW-QGZVFWFLSA-N 1 1 309.413 3.295 50 30 DGEAMO Cc1ccc2cc(C[N@@H+](CCC#N)C[C@H]3CCOC3)ccc2n1 ZINC000225477336 400958412 /nfs/dbraw/zinc/95/84/12/400958412.db2.gz NVDGZVXOIARRRW-QGZVFWFLSA-N 1 1 309.413 3.295 50 30 DGEAMO C[NH+]1CCN(c2oc(-c3ccc(C(C)(C)C)cc3)nc2C#N)CC1 ZINC000005163394 277115632 /nfs/dbraw/zinc/11/56/32/277115632.db2.gz DKJNVJPWXKTMRK-UHFFFAOYSA-N 1 1 324.428 3.263 50 30 DGEAMO C[N@@H+]1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000108365272 431137326 /nfs/dbraw/zinc/13/73/26/431137326.db2.gz SZEADQNAHUXGNQ-HZPDHXFCSA-N 1 1 314.339 3.089 50 30 DGEAMO C[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000108365272 431137331 /nfs/dbraw/zinc/13/73/31/431137331.db2.gz SZEADQNAHUXGNQ-HZPDHXFCSA-N 1 1 314.339 3.089 50 30 DGEAMO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000108365278 431135611 /nfs/dbraw/zinc/13/56/11/431135611.db2.gz RCEHBDNKBSKLPO-NVXWUHKLSA-N 1 1 314.339 3.089 50 30 DGEAMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000108365278 431135617 /nfs/dbraw/zinc/13/56/17/431135617.db2.gz RCEHBDNKBSKLPO-NVXWUHKLSA-N 1 1 314.339 3.089 50 30 DGEAMO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000007613949 431355960 /nfs/dbraw/zinc/35/59/60/431355960.db2.gz AXYDVEIFFHJNJZ-CYBMUJFWSA-N 1 1 313.426 3.469 50 30 DGEAMO CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000007613949 431355969 /nfs/dbraw/zinc/35/59/69/431355969.db2.gz AXYDVEIFFHJNJZ-CYBMUJFWSA-N 1 1 313.426 3.469 50 30 DGEAMO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000008320441 431393814 /nfs/dbraw/zinc/39/38/14/431393814.db2.gz PJWJYJGTTPWPDS-OAHLLOKOSA-N 1 1 311.410 3.395 50 30 DGEAMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000008320441 431393821 /nfs/dbraw/zinc/39/38/21/431393821.db2.gz PJWJYJGTTPWPDS-OAHLLOKOSA-N 1 1 311.410 3.395 50 30 DGEAMO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCCSCC#N ZINC000074990135 431448552 /nfs/dbraw/zinc/44/85/52/431448552.db2.gz VUVWQFOASCCQFC-MRXNPFEDSA-N 1 1 304.459 3.485 50 30 DGEAMO COc1ccccc1/C=N/N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000013688160 431563680 /nfs/dbraw/zinc/56/36/80/431563680.db2.gz SMKSMIHXIFJKQR-RCCKNPSSSA-N 1 1 323.440 3.155 50 30 DGEAMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000025305956 431651708 /nfs/dbraw/zinc/65/17/08/431651708.db2.gz RLKYYARBSAXETE-IBGZPJMESA-N 1 1 324.424 3.209 50 30 DGEAMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)c(C)n1 ZINC000055242419 431978561 /nfs/dbraw/zinc/97/85/61/431978561.db2.gz AELBTAPUUFHNNP-INIZCTEOSA-N 1 1 300.406 3.319 50 30 DGEAMO CC(=CC(O)=CC(=O)NC1CCCCC1)[NH2+]C1CCCCC1 ZINC000096319607 431944620 /nfs/dbraw/zinc/94/46/20/431944620.db2.gz YJVWDJUINXMQBF-WYMLVPIESA-N 1 1 306.450 3.221 50 30 DGEAMO COc1cccc(NC(=O)CC[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000096435715 431949070 /nfs/dbraw/zinc/94/90/70/431949070.db2.gz ACEHEHKKBINMBJ-UHFFFAOYSA-N 1 1 323.396 3.027 50 30 DGEAMO CCCOc1ccc(C(=O)ON=C2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000252628852 432384750 /nfs/dbraw/zinc/38/47/50/432384750.db2.gz SZLKYLKGKTXXLR-UONOGXRCSA-N 1 1 318.417 3.348 50 30 DGEAMO CCc1ocnc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000330859853 432926284 /nfs/dbraw/zinc/92/62/84/432926284.db2.gz RNNGUPOUHYFJAC-ZDUSSCGKSA-N 1 1 307.438 3.442 50 30 DGEAMO Cc1[nH+]ccn1CCCCSc1nnc(C)c(C)c1C#N ZINC000097237202 323210357 /nfs/dbraw/zinc/21/03/57/323210357.db2.gz SCQKPPCQOFEELG-UHFFFAOYSA-N 1 1 301.419 3.043 50 30 DGEAMO CC[N@H+]1CCC[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000215516167 333386857 /nfs/dbraw/zinc/38/68/57/333386857.db2.gz RVFFLTPLKBWCOB-GOSISDBHSA-N 1 1 311.473 3.276 50 30 DGEAMO C[N@H+]1CCCC[C@H]1CCN1CCC(C#N)(c2ccccc2)CC1 ZINC000299773965 334257899 /nfs/dbraw/zinc/25/78/99/334257899.db2.gz HAWKMFCJENWZET-IBGZPJMESA-N 1 1 311.473 3.418 50 30 DGEAMO C=CC[N@H+](Cc1ccccc1C)Cc1ccccc1OCC(N)=O ZINC000055308766 518786142 /nfs/dbraw/zinc/78/61/42/518786142.db2.gz MBZHENGBPUYVID-UHFFFAOYSA-N 1 1 324.424 3.047 50 30 DGEAMO C=CCn1cc(C[NH2+]Cc2nc3cc(C)c(C)cc3[nH]2)c(C)n1 ZINC000055401857 519281681 /nfs/dbraw/zinc/28/16/81/519281681.db2.gz GUUVUVLGGAALCW-UHFFFAOYSA-N 1 1 309.417 3.160 50 30 DGEAMO C[C@H](CC#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055214594 526217727 /nfs/dbraw/zinc/21/77/27/526217727.db2.gz WUQNJBRYTZCEJM-IEBWSBKVSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO C[C@H](CC#CC[N@H+]1CCCC[C@@H]1c1cccnc1)OCCC#N ZINC000055214594 526217729 /nfs/dbraw/zinc/21/77/29/526217729.db2.gz WUQNJBRYTZCEJM-IEBWSBKVSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO CCc1nc(C#N)c(NC[C@@H](c2ccc(F)cc2F)[NH+](C)C)o1 ZINC000238881930 563903949 /nfs/dbraw/zinc/90/39/49/563903949.db2.gz BNKKHFIZSLHEBF-AWEZNQCLSA-N 1 1 320.343 3.102 50 30 DGEAMO CCn1cc(C[N@H+](C)Cc2cc(-c3ccccn3)no2)cc1C#N ZINC000826773305 1091759844 /nfs/dbraw/zinc/75/98/44/1091759844.db2.gz IGMIUGOXYRTEBS-UHFFFAOYSA-N 1 1 321.384 3.062 50 30 DGEAMO CCn1cc(C[N@@H+](C)Cc2cc(-c3ccccn3)no2)cc1C#N ZINC000826773305 1091759848 /nfs/dbraw/zinc/75/98/48/1091759848.db2.gz IGMIUGOXYRTEBS-UHFFFAOYSA-N 1 1 321.384 3.062 50 30 DGEAMO OCC#Cc1csc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000828644546 1091840041 /nfs/dbraw/zinc/84/00/41/1091840041.db2.gz CEPIIACWAPFSFQ-GOSISDBHSA-N 1 1 311.450 3.472 50 30 DGEAMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](C)c1ccc(F)cc1 ZINC000106112295 432020838 /nfs/dbraw/zinc/02/08/38/432020838.db2.gz IICWJOFODBBTAH-FZKQIMNGSA-N 1 1 317.408 3.017 50 30 DGEAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000072144003 191051937 /nfs/dbraw/zinc/05/19/37/191051937.db2.gz WYDRHCGDCPPXAB-SFHVURJKSA-N 1 1 306.413 3.054 50 30 DGEAMO Cc1ccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000020189903 182195478 /nfs/dbraw/zinc/19/54/78/182195478.db2.gz RCSVJHSYNIWUMP-RCCKNPSSSA-N 1 1 307.441 3.455 50 30 DGEAMO CCc1nc(C#N)c(NC[C@H](c2ccccc2Cl)[NH+](C)C)o1 ZINC000027990673 182503225 /nfs/dbraw/zinc/50/32/25/182503225.db2.gz ARDYUSTWYMFWCH-CQSZACIVSA-N 1 1 318.808 3.477 50 30 DGEAMO N#Cc1cccnc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000058222787 184090496 /nfs/dbraw/zinc/09/04/96/184090496.db2.gz SKQNHAWNUAFRRQ-AWEZNQCLSA-N 1 1 312.442 3.339 50 30 DGEAMO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccco2)C2CC2)cc1 ZINC000058159294 184082289 /nfs/dbraw/zinc/08/22/89/184082289.db2.gz PDKKCRUTDSVTMA-UHFFFAOYSA-N 1 1 309.369 3.144 50 30 DGEAMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1 ZINC000058293307 184102003 /nfs/dbraw/zinc/10/20/03/184102003.db2.gz OSTIALXTYPKEDH-UHFFFAOYSA-N 1 1 307.397 3.068 50 30 DGEAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000058314538 184104023 /nfs/dbraw/zinc/10/40/23/184104023.db2.gz XIMUHVLUTQNFDZ-RVKKMQEKSA-N 1 1 311.429 3.036 50 30 DGEAMO CC(=O)N1CCCC[C@@H]1C1=CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000065384292 184332728 /nfs/dbraw/zinc/33/27/28/184332728.db2.gz NOMGQTNDCLEJNF-HXUWFJFHSA-N 1 1 323.440 3.091 50 30 DGEAMO CC(C)(C)c1nocc1C(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004390318 400085130 /nfs/dbraw/zinc/08/51/30/400085130.db2.gz ZYPYFULSUCZKGR-UHFFFAOYSA-N 1 1 321.764 3.103 50 30 DGEAMO CCCCCCC[C@@H]1NC(=[NH2+])NC(=N)N1c1cccc(C)c1 ZINC000097973065 400288176 /nfs/dbraw/zinc/28/81/76/400288176.db2.gz WVZXAZHRFNXYRX-OAHLLOKOSA-N 1 1 301.438 3.131 50 30 DGEAMO N#Cc1cccc(NC(=O)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072306844 400381114 /nfs/dbraw/zinc/38/11/14/400381114.db2.gz JKGQNFKAVJDCBU-GOSISDBHSA-N 1 1 319.408 3.409 50 30 DGEAMO C[N@H+]1CCc2nc(SCC#N)c(C#N)c(-c3ccccc3)c2C1 ZINC000019889356 277189076 /nfs/dbraw/zinc/18/90/76/277189076.db2.gz AWYSFCULJYWIKH-UHFFFAOYSA-N 1 1 320.421 3.224 50 30 DGEAMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2F)cc1OC ZINC000071881439 431305743 /nfs/dbraw/zinc/30/57/43/431305743.db2.gz MSUXPTVXQFVUIP-UHFFFAOYSA-N 1 1 314.360 3.347 50 30 DGEAMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)cc1OC ZINC000071881439 431305750 /nfs/dbraw/zinc/30/57/50/431305750.db2.gz MSUXPTVXQFVUIP-UHFFFAOYSA-N 1 1 314.360 3.347 50 30 DGEAMO COc1ccc(Cl)cc1C(=O)ONC(=[NH2+])c1ccccc1C ZINC000005050763 431308892 /nfs/dbraw/zinc/30/88/92/431308892.db2.gz PLTIGOVFPNOOKT-UHFFFAOYSA-N 1 1 318.760 3.134 50 30 DGEAMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(F)c1C#N ZINC000075140117 431456917 /nfs/dbraw/zinc/45/69/17/431456917.db2.gz MWTRZQPDQLFVPO-KSSFIOAISA-N 1 1 324.403 3.415 50 30 DGEAMO Cc1cccc(C(=[NH2+])NOC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000012655288 431523625 /nfs/dbraw/zinc/52/36/25/431523625.db2.gz LTHYFLYBRHPYOU-UHFFFAOYSA-N 1 1 302.761 3.434 50 30 DGEAMO C=CCNC(=O)CC[N@H+]1Cc2ccccc2O[C@H](CCCC)C1 ZINC000014889154 431596865 /nfs/dbraw/zinc/59/68/65/431596865.db2.gz GRGPARSGEAZDLL-QGZVFWFLSA-N 1 1 316.445 3.132 50 30 DGEAMO CC(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2 ZINC000023153764 431636760 /nfs/dbraw/zinc/63/67/60/431636760.db2.gz FFBNEQHODSFPFD-UHFFFAOYSA-N 1 1 311.410 3.136 50 30 DGEAMO CC(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2 ZINC000023153764 431636768 /nfs/dbraw/zinc/63/67/68/431636768.db2.gz FFBNEQHODSFPFD-UHFFFAOYSA-N 1 1 311.410 3.136 50 30 DGEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000028073207 431700819 /nfs/dbraw/zinc/70/08/19/431700819.db2.gz MYPXPMRZIBNFJU-GOSISDBHSA-N 1 1 305.381 3.161 50 30 DGEAMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000028073207 431700826 /nfs/dbraw/zinc/70/08/26/431700826.db2.gz MYPXPMRZIBNFJU-GOSISDBHSA-N 1 1 305.381 3.161 50 30 DGEAMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000029483275 431724240 /nfs/dbraw/zinc/72/42/40/431724240.db2.gz ASPZUNVGZIQDTH-GOSISDBHSA-N 1 1 305.381 3.116 50 30 DGEAMO CCCN(CC#Cc1ccccc1)C(=O)CCn1cc[nH+]c1CC ZINC000055108664 431977239 /nfs/dbraw/zinc/97/72/39/431977239.db2.gz WFPOSUFDHUYUGT-UHFFFAOYSA-N 1 1 323.440 3.126 50 30 DGEAMO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1ccccc1C#N ZINC000055252749 431978262 /nfs/dbraw/zinc/97/82/62/431978262.db2.gz CEYSEDAOFVIHJM-QGZVFWFLSA-N 1 1 300.427 3.393 50 30 DGEAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccccc1C#N ZINC000055252749 431978263 /nfs/dbraw/zinc/97/82/63/431978263.db2.gz CEYSEDAOFVIHJM-QGZVFWFLSA-N 1 1 300.427 3.393 50 30 DGEAMO C[N@@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000095978623 431931128 /nfs/dbraw/zinc/93/11/28/431931128.db2.gz SZEADQNAHUXGNQ-CVEARBPZSA-N 1 1 314.339 3.089 50 30 DGEAMO C[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000095978623 431931130 /nfs/dbraw/zinc/93/11/30/431931130.db2.gz SZEADQNAHUXGNQ-CVEARBPZSA-N 1 1 314.339 3.089 50 30 DGEAMO Cc1ccccc1[C@@H](C#N)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000096444697 431949754 /nfs/dbraw/zinc/94/97/54/431949754.db2.gz FLLQZQWVMPTVRW-MRXNPFEDSA-N 1 1 310.401 3.086 50 30 DGEAMO CC(C)c1nnc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[nH]1 ZINC000096452084 431950539 /nfs/dbraw/zinc/95/05/39/431950539.db2.gz XJFZRCKFAQBIAM-LBPRGKRZSA-N 1 1 305.426 3.171 50 30 DGEAMO CC(C)c1n[nH]c(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000096452084 431950541 /nfs/dbraw/zinc/95/05/41/431950541.db2.gz XJFZRCKFAQBIAM-LBPRGKRZSA-N 1 1 305.426 3.171 50 30 DGEAMO CC(C)c1n[nH]c(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000096452084 431950542 /nfs/dbraw/zinc/95/05/42/431950542.db2.gz XJFZRCKFAQBIAM-LBPRGKRZSA-N 1 1 305.426 3.171 50 30 DGEAMO CC(C)c1nc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)n[nH]1 ZINC000096452084 431950545 /nfs/dbraw/zinc/95/05/45/431950545.db2.gz XJFZRCKFAQBIAM-LBPRGKRZSA-N 1 1 305.426 3.171 50 30 DGEAMO CC(C)c1nc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)n[nH]1 ZINC000096452084 431950548 /nfs/dbraw/zinc/95/05/48/431950548.db2.gz XJFZRCKFAQBIAM-LBPRGKRZSA-N 1 1 305.426 3.171 50 30 DGEAMO OCC#Cc1csc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000097532447 431970247 /nfs/dbraw/zinc/97/02/47/431970247.db2.gz HQDGVJITARGXMP-MRXNPFEDSA-N 1 1 315.413 3.221 50 30 DGEAMO N#CCCCOc1cccc(CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000245567273 432847005 /nfs/dbraw/zinc/84/70/05/432847005.db2.gz UITYPMATZUQFRV-SFHVURJKSA-N 1 1 313.445 3.039 50 30 DGEAMO C[N@@H+]1[C@@H]2CCC[C@H]1Cc1nc(N)c(C#N)c(-c3ccsc3)c12 ZINC000071730418 290316373 /nfs/dbraw/zinc/31/63/73/290316373.db2.gz RZBHNFAAEUKVLH-SMDDNHRTSA-N 1 1 310.426 3.345 50 30 DGEAMO Cc1nsc(C)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000576049736 341822709 /nfs/dbraw/zinc/82/27/09/341822709.db2.gz JLIZIBZPRFLANM-UHFFFAOYSA-N 1 1 312.442 3.212 50 30 DGEAMO C=CCOc1ccccc1C[N@H+](CC)Cc1cnc2nccn2c1 ZINC000055342044 519067826 /nfs/dbraw/zinc/06/78/26/519067826.db2.gz 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/nfs/dbraw/zinc/00/52/77/182005277.db2.gz MIDZMBZYVZINNU-UHFFFAOYSA-N 1 1 307.397 3.003 50 30 DGEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1cnc2ccc(OC)cc2c1 ZINC000252628746 257106363 /nfs/dbraw/zinc/10/63/63/257106363.db2.gz SWUJZPBOVFEUQT-RYMBOPBQSA-N 1 1 324.424 3.173 50 30 DGEAMO N#Cc1cccc(NC(=O)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000072306845 400381557 /nfs/dbraw/zinc/38/15/57/400381557.db2.gz JKGQNFKAVJDCBU-SFHVURJKSA-N 1 1 319.408 3.409 50 30 DGEAMO CC[N@H+]1CCc2nc(N)c(C#N)c(-c3ccc(SC)cc3)c2C1 ZINC000071752121 276236520 /nfs/dbraw/zinc/23/65/20/276236520.db2.gz XAYPUOKDHIGCRN-UHFFFAOYSA-N 1 1 324.453 3.302 50 30 DGEAMO C[C@@H](c1cccnc1)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000071819444 431293672 /nfs/dbraw/zinc/29/36/72/431293672.db2.gz NJEULTSOXGOMLD-INIZCTEOSA-N 1 1 306.413 3.227 50 30 DGEAMO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008268308 431389819 /nfs/dbraw/zinc/38/98/19/431389819.db2.gz IZMZXISIJWRYSS-GXTWGEPZSA-N 1 1 303.431 3.070 50 30 DGEAMO 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C#CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]1CCc2ccccc21 ZINC000036394470 518255529 /nfs/dbraw/zinc/25/55/29/518255529.db2.gz QSDIHVSSEMHBBK-PWIZWCRZSA-N 1 1 324.468 3.304 50 30 DGEAMO C/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000025575266 518460058 /nfs/dbraw/zinc/46/00/58/518460058.db2.gz OEVKSNVFELKPAG-LTGZKZEYSA-N 1 1 311.404 3.368 50 30 DGEAMO C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccccc1OC ZINC000036096222 518984453 /nfs/dbraw/zinc/98/44/53/518984453.db2.gz ALBJHVKFJJPSLA-SFHVURJKSA-N 1 1 321.461 3.107 50 30 DGEAMO C=CCc1cc(Cl)ccc1OCCCCN1CC[NH+](C)CC1 ZINC000021669845 519132768 /nfs/dbraw/zinc/13/27/68/519132768.db2.gz YENWMMHBFOTROG-UHFFFAOYSA-N 1 1 322.880 3.475 50 30 DGEAMO Cc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C(C)C)s1 ZINC000058147681 524403543 /nfs/dbraw/zinc/40/35/43/524403543.db2.gz JLLIDUKNOBGNGS-QGZVFWFLSA-N 1 1 319.474 3.075 50 30 DGEAMO COc1cccc(/C=N/N2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000023654330 525772150 /nfs/dbraw/zinc/77/21/50/525772150.db2.gz 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182242253 /nfs/dbraw/zinc/24/22/53/182242253.db2.gz XMCLBPJORBIISO-UHFFFAOYSA-N 1 1 308.853 3.085 50 30 DGEAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000110646527 194345910 /nfs/dbraw/zinc/34/59/10/194345910.db2.gz GMAUTBLCPQHLID-JKSUJKDBSA-N 1 1 317.458 3.103 50 30 DGEAMO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000065538663 184363397 /nfs/dbraw/zinc/36/33/97/184363397.db2.gz KSPLPFIFHSWSPJ-HNNXBMFYSA-N 1 1 311.429 3.041 50 30 DGEAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1ccc(C#N)o1 ZINC000239591440 257259780 /nfs/dbraw/zinc/25/97/80/257259780.db2.gz BBKRPTYKAMVLCT-OXQOHEQNSA-N 1 1 323.440 3.494 50 30 DGEAMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000239591440 257259781 /nfs/dbraw/zinc/25/97/81/257259781.db2.gz BBKRPTYKAMVLCT-OXQOHEQNSA-N 1 1 323.440 3.494 50 30 DGEAMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000239591440 257259783 /nfs/dbraw/zinc/25/97/83/257259783.db2.gz BBKRPTYKAMVLCT-OXQOHEQNSA-N 1 1 323.440 3.494 50 30 DGEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1cnc2ccc(OC)cc2c1 ZINC000006533665 400093150 /nfs/dbraw/zinc/09/31/50/400093150.db2.gz SWUJZPBOVFEUQT-NIHZBZNOSA-N 1 1 324.424 3.173 50 30 DGEAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC#CCN1C(=O)CCc2ccccc21 ZINC000067319190 274295437 /nfs/dbraw/zinc/29/54/37/274295437.db2.gz FUZKCGHDPOFQKV-CALCHBBNSA-N 1 1 310.441 3.232 50 30 DGEAMO C#CC(C)(C)[NH2+]C1(c2nnnn2-c2c(C)cccc2C)CCCC1 ZINC000020506582 277669135 /nfs/dbraw/zinc/66/91/35/277669135.db2.gz KJPFTDVDELDFBH-UHFFFAOYSA-N 1 1 323.444 3.050 50 30 DGEAMO Cc1cccc(NC(=S)N/[NH+]=C/c2ccc(N(C)C)cc2)c1 ZINC000000027893 431112023 /nfs/dbraw/zinc/11/20/23/431112023.db2.gz FXBGEGYVUMXLDA-LDADJPATSA-N 1 1 312.442 3.382 50 30 DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000003831405 431292861 /nfs/dbraw/zinc/29/28/61/431292861.db2.gz LOUPRKONTZGTKE-LHHVKLHASA-N 1 1 324.424 3.173 50 30 biogenic,fda DGEAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000075132439 431455116 /nfs/dbraw/zinc/45/51/16/431455116.db2.gz XVUHPSFGLLUMOH-KRWDZBQOSA-N 1 1 324.428 3.125 50 30 DGEAMO Cc1cccc(NC(=S)N/[NH+]=C\c2ccc(N(C)C)cc2)c1 ZINC000030725591 431745183 /nfs/dbraw/zinc/74/51/83/431745183.db2.gz FXBGEGYVUMXLDA-PDGQHHTCSA-N 1 1 312.442 3.382 50 30 DGEAMO Cc1ccccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029227420 431717207 /nfs/dbraw/zinc/71/72/07/431717207.db2.gz RUGSELYHHBYEFD-UHFFFAOYSA-N 1 1 322.412 3.054 50 30 DGEAMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccccc1SCC#N ZINC000123561520 431868151 /nfs/dbraw/zinc/86/81/51/431868151.db2.gz MQJVXTWHZSUUBE-UHFFFAOYSA-N 1 1 314.414 3.261 50 30 DGEAMO C[N@@H+](CCCc1ccccc1)CC(=O)Nc1cccc(C#N)c1 ZINC000048365214 431924613 /nfs/dbraw/zinc/92/46/13/431924613.db2.gz YNTMMXBDSDGLOX-UHFFFAOYSA-N 1 1 307.397 3.061 50 30 DGEAMO C=CCn1cc(C[N@H+](CCOC)Cc2ccc(C)cc2)c(C)n1 ZINC000055037133 431975431 /nfs/dbraw/zinc/97/54/31/431975431.db2.gz WMCZORLMWNGAJT-UHFFFAOYSA-N 1 1 313.445 3.335 50 30 DGEAMO CC(C)(C#N)CCC[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000095963085 431928720 /nfs/dbraw/zinc/92/87/20/431928720.db2.gz IQMYUXWEGFPDHY-UHFFFAOYSA-N 1 1 323.444 3.014 50 30 DGEAMO CC(C)(C#N)CCC[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000095963085 431928722 /nfs/dbraw/zinc/92/87/22/431928722.db2.gz IQMYUXWEGFPDHY-UHFFFAOYSA-N 1 1 323.444 3.014 50 30 DGEAMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000095967764 431929436 /nfs/dbraw/zinc/92/94/36/431929436.db2.gz BUUGWSYYZCXXRA-HNNXBMFYSA-N 1 1 318.461 3.395 50 30 DGEAMO C=CCc1ccccc1OCC[N@H+](C)Cc1ccc(CO)o1 ZINC000055344191 431980208 /nfs/dbraw/zinc/98/02/08/431980208.db2.gz LHJKISBKDYARHG-UHFFFAOYSA-N 1 1 301.386 3.011 50 30 DGEAMO C=CCOc1ccccc1C[N@H+](CC)Cc1ccc(CO)o1 ZINC000055369147 431980625 /nfs/dbraw/zinc/98/06/25/431980625.db2.gz YBWWMBMBUDULCA-UHFFFAOYSA-N 1 1 301.386 3.359 50 30 DGEAMO C=CCOc1ccccc1C[N@@H+](CC)Cc1ccc(CO)o1 ZINC000055369147 431980627 /nfs/dbraw/zinc/98/06/27/431980627.db2.gz YBWWMBMBUDULCA-UHFFFAOYSA-N 1 1 301.386 3.359 50 30 DGEAMO Cc1cc(C)c(C#N)c(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000097205240 431965471 /nfs/dbraw/zinc/96/54/71/431965471.db2.gz VTLYMFGPXVBYFK-MRXNPFEDSA-N 1 1 320.440 3.429 50 30 DGEAMO CC(=NN1CC[NH+](C)CC1)c1ccccc1OCc1ccccc1 ZINC000254833243 432404569 /nfs/dbraw/zinc/40/45/69/432404569.db2.gz CWEULDSAOJTKGP-UHFFFAOYSA-N 1 1 323.440 3.237 50 30 DGEAMO Cc1nccn1CC[N@H+](C)Cc1ccc(-c2ccccc2C#N)o1 ZINC000215736217 432644459 /nfs/dbraw/zinc/64/44/59/432644459.db2.gz LQXMGULCFQDJFK-UHFFFAOYSA-N 1 1 320.396 3.455 50 30 DGEAMO C=CCC[C@@H](O)C[N@H+](CCC)Cc1ccc(OC)c(OC)c1 ZINC000036095977 518712452 /nfs/dbraw/zinc/71/24/52/518712452.db2.gz MQBIVIYHMJKWKB-MRXNPFEDSA-N 1 1 307.434 3.243 50 30 DGEAMO C=CCOc1ccc(C[NH2+]Cc2csc(N)n2)cc1CC=C ZINC000055198024 519036225 /nfs/dbraw/zinc/03/62/25/519036225.db2.gz IAJOTVFVKLRAGV-UHFFFAOYSA-N 1 1 315.442 3.308 50 30 DGEAMO N#CCC[C@H](C#N)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000071902811 526465538 /nfs/dbraw/zinc/46/55/38/526465538.db2.gz BOPHYHCRRVGCDH-GOSISDBHSA-N 1 1 311.429 3.480 50 30 DGEAMO C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCC[C@H]3O)C2)c1 ZINC001704298027 1202519512 /nfs/dbraw/zinc/51/95/12/1202519512.db2.gz BXDSDRVZHCOZPM-MOPGFXCFSA-N 1 1 301.430 3.378 50 30 DGEAMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000095431935 185363367 /nfs/dbraw/zinc/36/33/67/185363367.db2.gz FZIBGVJAPDFWHU-LSDHHAIUSA-N 1 1 307.401 3.186 50 30 DGEAMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000095431935 185363368 /nfs/dbraw/zinc/36/33/68/185363368.db2.gz FZIBGVJAPDFWHU-LSDHHAIUSA-N 1 1 307.401 3.186 50 30 DGEAMO CCc1nc(N2CCC(C#N)(c3ccccc3)CC2)cc(C)[nH+]1 ZINC000065493584 432011478 /nfs/dbraw/zinc/01/14/78/432011478.db2.gz AOHGNZBBFINJEI-UHFFFAOYSA-N 1 1 306.413 3.409 50 30 DGEAMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000072299853 191114577 /nfs/dbraw/zinc/11/45/77/191114577.db2.gz RKSMBNRLPNMIDT-INIZCTEOSA-N 1 1 308.385 3.198 50 30 DGEAMO CS[C@H]1CCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000072896374 191249684 /nfs/dbraw/zinc/24/96/84/191249684.db2.gz GMAUTBLCPQHLID-HOTGVXAUSA-N 1 1 317.458 3.103 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccccc3F)CC2)cc1 ZINC000019773284 182145043 /nfs/dbraw/zinc/14/50/43/182145043.db2.gz MXQQJDDRPFKJMF-STZFKDTASA-N 1 1 311.404 3.286 50 30 DGEAMO CC[C@](C)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)OC(C)=O ZINC000061999476 184200389 /nfs/dbraw/zinc/20/03/89/184200389.db2.gz ZENQODAVRHWOBM-RBUKOAKNSA-N 1 1 314.429 3.344 50 30 biogenic DGEAMO CC[C@](C)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)OC(C)=O ZINC000061999476 184200391 /nfs/dbraw/zinc/20/03/91/184200391.db2.gz ZENQODAVRHWOBM-RBUKOAKNSA-N 1 1 314.429 3.344 50 30 biogenic DGEAMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000065463779 184349305 /nfs/dbraw/zinc/34/93/05/184349305.db2.gz FQJIOKGEPJVKFD-HNNXBMFYSA-N 1 1 310.376 3.026 50 30 DGEAMO CC[N@@H+](C)Cc1cccc(CNC(=NC2CC2)c2ccco2)c1 ZINC000071843662 400370615 /nfs/dbraw/zinc/37/06/15/400370615.db2.gz VESIJKVLENTQHJ-UHFFFAOYSA-N 1 1 311.429 3.430 50 30 DGEAMO C=CC[N@H+](C)Cc1ccc(C(=O)NCc2cccc(OC)c2)cc1 ZINC000072281963 400377267 /nfs/dbraw/zinc/37/72/67/400377267.db2.gz FDGROMYXWPDIHL-UHFFFAOYSA-N 1 1 324.424 3.243 50 30 DGEAMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)NC1(C#N)CCCC1 ZINC000074236046 400499685 /nfs/dbraw/zinc/49/96/85/400499685.db2.gz NKKCPGAZOIWVAG-CYBMUJFWSA-N 1 1 319.836 3.285 50 30 DGEAMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCCC1 ZINC000074236046 400499688 /nfs/dbraw/zinc/49/96/88/400499688.db2.gz NKKCPGAZOIWVAG-CYBMUJFWSA-N 1 1 319.836 3.285 50 30 DGEAMO CC(C)(C)[C@@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000000489586 431192869 /nfs/dbraw/zinc/19/28/69/431192869.db2.gz IYKQTVFUXRFGAO-MJGOQNOKSA-N 1 1 300.446 3.409 50 30 DGEAMO CC(C)(C)[C@@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000000489586 431192876 /nfs/dbraw/zinc/19/28/76/431192876.db2.gz IYKQTVFUXRFGAO-MJGOQNOKSA-N 1 1 300.446 3.409 50 30 DGEAMO C[C@H](c1cccnc1)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000071819445 431291902 /nfs/dbraw/zinc/29/19/02/431291902.db2.gz NJEULTSOXGOMLD-MRXNPFEDSA-N 1 1 306.413 3.227 50 30 DGEAMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000071876634 431303646 /nfs/dbraw/zinc/30/36/46/431303646.db2.gz QEJVQSJKDGZVJQ-SFHVURJKSA-N 1 1 324.428 3.125 50 30 DGEAMO Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000007420815 431346201 /nfs/dbraw/zinc/34/62/01/431346201.db2.gz ZWZRIFSCDWRHTH-HNNXBMFYSA-N 1 1 307.397 3.326 50 30 DGEAMO Cc1cc(NCC[N@H+](C)C2CC2)n2c3ccccc3nc2c1C#N ZINC000084109986 431816055 /nfs/dbraw/zinc/81/60/55/431816055.db2.gz ZRSSUTPGLOZWTH-UHFFFAOYSA-N 1 1 319.412 3.174 50 30 DGEAMO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000048362387 431924714 /nfs/dbraw/zinc/92/47/14/431924714.db2.gz MQENZOHTRJAWDL-UHFFFAOYSA-N 1 1 307.397 3.065 50 30 DGEAMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000048362387 431924715 /nfs/dbraw/zinc/92/47/15/431924715.db2.gz MQENZOHTRJAWDL-UHFFFAOYSA-N 1 1 307.397 3.065 50 30 DGEAMO C=CC[N@H+]1CC[C@@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000055099103 431976438 /nfs/dbraw/zinc/97/64/38/431976438.db2.gz DFSHWFWZSPTAQY-CCLIWJKGSA-N 1 1 316.489 3.217 50 30 DGEAMO Cc1cnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000097108517 431960737 /nfs/dbraw/zinc/96/07/37/431960737.db2.gz QPSDMOSWFVTSCL-UHFFFAOYSA-N 1 1 312.442 3.036 50 30 DGEAMO C#C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(F)cc1 ZINC000408516948 434584874 /nfs/dbraw/zinc/58/48/74/434584874.db2.gz VYGSVVCOSFIZRO-IBGZPJMESA-N 1 1 305.356 3.476 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(N=Cc3ccccc3)CC2)c(C)c1 ZINC000244773767 533932517 /nfs/dbraw/zinc/93/25/17/533932517.db2.gz PGAHVLXOZSYDAQ-UHFFFAOYSA-N 1 1 307.441 3.455 50 30 DGEAMO CC(C)(C)CC(=O)ONC(=[NH2+])c1cccc(Br)c1 ZINC000004832257 518625861 /nfs/dbraw/zinc/62/58/61/518625861.db2.gz QUJGTUAOXRSAEY-UHFFFAOYSA-N 1 1 313.195 3.049 50 30 DGEAMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(OC)c(OC)c1)CC(C)C ZINC000036095651 518726625 /nfs/dbraw/zinc/72/66/25/518726625.db2.gz LDUNAIJSTHLOPA-KRWDZBQOSA-N 1 1 321.461 3.489 50 30 DGEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)[C@H](C)CC ZINC000036104154 518987963 /nfs/dbraw/zinc/98/79/63/518987963.db2.gz UFGHOZZHJIHDMW-CJNGLKHVSA-N 1 1 313.388 3.129 50 30 DGEAMO C=CCn1c(SC[C@@H]2CCC[N@H+](C)C2)nnc1-c1ccco1 ZINC000070018453 519235867 /nfs/dbraw/zinc/23/58/67/519235867.db2.gz WIOMYRCTZHQMFL-CYBMUJFWSA-N 1 1 318.446 3.158 50 30 DGEAMO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000008533188 524389199 /nfs/dbraw/zinc/38/91/99/524389199.db2.gz WWDDQNULYWQOFA-UHFFFAOYSA-N 1 1 313.445 3.112 50 30 DGEAMO Cc1ccc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000008533188 524389209 /nfs/dbraw/zinc/38/92/09/524389209.db2.gz WWDDQNULYWQOFA-UHFFFAOYSA-N 1 1 313.445 3.112 50 30 DGEAMO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021822273 525918105 /nfs/dbraw/zinc/91/81/05/525918105.db2.gz GDUJMGMGOGAWPE-MRXNPFEDSA-N 1 1 315.461 3.092 50 30 DGEAMO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CN(C(C)C)C[C@@H]2C)c(O)c1 ZINC000255273920 659021969 /nfs/dbraw/zinc/02/19/69/659021969.db2.gz UTJCCVZLJRITEY-LEJVGTRYSA-N 1 1 317.477 3.386 50 30 DGEAMO C=CCc1cc(CN(C)C[C@]2(C)CC[N@@H+](C)C2)ccc1OC ZINC000952961346 1096788934 /nfs/dbraw/zinc/78/89/34/1096788934.db2.gz HODJHYQOHOJYHZ-LJQANCHMSA-N 1 1 302.462 3.197 50 30 DGEAMO C=CCc1cc(C[N@H+](C)C[C@]2(C)CCN(C)C2)ccc1OC ZINC000952961346 1096788971 /nfs/dbraw/zinc/78/89/71/1096788971.db2.gz HODJHYQOHOJYHZ-LJQANCHMSA-N 1 1 302.462 3.197 50 30 DGEAMO C=CCc1cc(C[N@@H+](C)C[C@]2(C)CCN(C)C2)ccc1OC ZINC000952961346 1096788978 /nfs/dbraw/zinc/78/89/78/1096788978.db2.gz HODJHYQOHOJYHZ-LJQANCHMSA-N 1 1 302.462 3.197 50 30 DGEAMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000072299941 191114197 /nfs/dbraw/zinc/11/41/97/191114197.db2.gz GOCKREMBXUNZBC-INIZCTEOSA-N 1 1 308.385 3.198 50 30 DGEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000075132441 191426639 /nfs/dbraw/zinc/42/66/39/191426639.db2.gz XVUHPSFGLLUMOH-QGZVFWFLSA-N 1 1 324.428 3.125 50 30 DGEAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000058393606 184112674 /nfs/dbraw/zinc/11/26/74/184112674.db2.gz QLWNQKXBVTWZEX-RVKKMQEKSA-N 1 1 311.429 3.036 50 30 DGEAMO Cc1c(C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)cc(C#N)n1C ZINC000584901546 400124418 /nfs/dbraw/zinc/12/44/18/400124418.db2.gz CVBJEKBFZGVOCD-UHFFFAOYSA-N 1 1 319.412 3.227 50 30 DGEAMO Cc1c(C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)cc(C#N)n1C ZINC000584901546 400124421 /nfs/dbraw/zinc/12/44/21/400124421.db2.gz CVBJEKBFZGVOCD-UHFFFAOYSA-N 1 1 319.412 3.227 50 30 DGEAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1ccc(C#N)o1 ZINC000108488390 431145822 /nfs/dbraw/zinc/14/58/22/431145822.db2.gz BBKRPTYKAMVLCT-OXJNMPFZSA-N 1 1 323.440 3.494 50 30 DGEAMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000108488390 431145829 /nfs/dbraw/zinc/14/58/29/431145829.db2.gz BBKRPTYKAMVLCT-OXJNMPFZSA-N 1 1 323.440 3.494 50 30 DGEAMO C[C@@H]1CCC[N@H+]1CC#CC(O)(c1ccccc1)c1ccccc1 ZINC000001259792 431217246 /nfs/dbraw/zinc/21/72/46/431217246.db2.gz LMEKONRXAOSIGP-GOSISDBHSA-N 1 1 305.421 3.410 50 30 DGEAMO N#CCc1ccc(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000007919901 431371134 /nfs/dbraw/zinc/37/11/34/431371134.db2.gz AOUINLGHNFSYKA-IAGOWNOFSA-N 1 1 311.429 3.203 50 30 DGEAMO C=CCOc1ccc(C[N@H+](C)Cn2c3ccccc3oc2=O)cc1 ZINC000007100233 431331750 /nfs/dbraw/zinc/33/17/50/431331750.db2.gz SAMORALEQGPJDY-UHFFFAOYSA-N 1 1 324.380 3.249 50 30 DGEAMO C=CCOc1ccc(C[N@@H+](C)Cn2c3ccccc3oc2=O)cc1 ZINC000007100233 431331758 /nfs/dbraw/zinc/33/17/58/431331758.db2.gz SAMORALEQGPJDY-UHFFFAOYSA-N 1 1 324.380 3.249 50 30 DGEAMO C=CC[N@H+](C)Cc1ccc(C(=O)N2CCn3cccc3[C@H]2C)cc1 ZINC000075138201 431457832 /nfs/dbraw/zinc/45/78/32/431457832.db2.gz KTCSDRLMLIZREA-MRXNPFEDSA-N 1 1 323.440 3.323 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000029225288 431717413 /nfs/dbraw/zinc/71/74/13/431717413.db2.gz XETPEXLLVJARMV-UHFFFAOYSA-N 1 1 322.412 3.054 50 30 DGEAMO CC(C)[N@@H+](CC(=O)N(C)C(C)(C)C#N)Cc1cccc(Cl)c1 ZINC000047958984 431917609 /nfs/dbraw/zinc/91/76/09/431917609.db2.gz LWXHOCJFSJTNDE-UHFFFAOYSA-N 1 1 321.852 3.311 50 30 DGEAMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)C1CCOCC1 ZINC000089869560 431883209 /nfs/dbraw/zinc/88/32/09/431883209.db2.gz MHUSJBDHSWCMRJ-UHFFFAOYSA-N 1 1 302.418 3.217 50 30 DGEAMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c(C)n1 ZINC000055242414 431978331 /nfs/dbraw/zinc/97/83/31/431978331.db2.gz AELBTAPUUFHNNP-MRXNPFEDSA-N 1 1 300.406 3.319 50 30 DGEAMO CCCOc1ccc(C(=O)O/N=C2\C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000245232344 432824588 /nfs/dbraw/zinc/82/45/88/432824588.db2.gz SZLKYLKGKTXXLR-OFGXNVERSA-N 1 1 318.417 3.348 50 30 DGEAMO CCc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000245391836 432826722 /nfs/dbraw/zinc/82/67/22/432826722.db2.gz DOWZIOLVPXYXPC-UHFFFAOYSA-N 1 1 307.441 3.401 50 30 DGEAMO C=CC[N@@H+](Cc1cccc(OCC(N)=O)c1)Cc1ccccc1C ZINC000055343637 518783469 /nfs/dbraw/zinc/78/34/69/518783469.db2.gz RQFAPOZHVILNHB-UHFFFAOYSA-N 1 1 324.424 3.047 50 30 DGEAMO 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304.434 3.199 50 30 DGEAMO N#Cc1cccc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1 ZINC000091434794 193055288 /nfs/dbraw/zinc/05/52/88/193055288.db2.gz YYCMQAHTNWHATC-VQTJNVASSA-N 1 1 309.457 3.255 50 30 DGEAMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1 ZINC000091434794 193055290 /nfs/dbraw/zinc/05/52/90/193055290.db2.gz YYCMQAHTNWHATC-VQTJNVASSA-N 1 1 309.457 3.255 50 30 DGEAMO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1 ZINC000091434794 193055291 /nfs/dbraw/zinc/05/52/91/193055291.db2.gz YYCMQAHTNWHATC-VQTJNVASSA-N 1 1 309.457 3.255 50 30 DGEAMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)Nc2nnc(C)s2)cc1 ZINC000065463869 184349601 /nfs/dbraw/zinc/34/96/01/184349601.db2.gz WFVHOIMZMGGCQH-UHFFFAOYSA-N 1 1 316.430 3.107 50 30 DGEAMO CS[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000072776978 400403454 /nfs/dbraw/zinc/40/34/54/400403454.db2.gz FALMGYAFFSLWQA-CABCVRRESA-N 1 1 317.458 3.103 50 30 DGEAMO Cc1ccc2cc(C[N@H+](CCC#N)C[C@@H]3CCOC3)ccc2n1 ZINC000225477380 400959074 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Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000071876676 431304237 /nfs/dbraw/zinc/30/42/37/431304237.db2.gz SKJUEWQTWLNOJC-QGZVFWFLSA-N 1 1 312.392 3.385 50 30 DGEAMO C[N@@H+](CCc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075640266 431488081 /nfs/dbraw/zinc/48/80/81/431488081.db2.gz UMZCIZKTYZBOND-UHFFFAOYSA-N 1 1 318.380 3.283 50 30 DGEAMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000014016271 431575346 /nfs/dbraw/zinc/57/53/46/431575346.db2.gz OLBTZXFWULYLTM-TXEJJXNPSA-N 1 1 305.809 3.128 50 30 DGEAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000014016271 431575351 /nfs/dbraw/zinc/57/53/51/431575351.db2.gz OLBTZXFWULYLTM-TXEJJXNPSA-N 1 1 305.809 3.128 50 30 DGEAMO C=CCN1CC[N@H+](Cc2c(OC)ccc3ccccc32)CCC1=O ZINC000014881967 431598816 /nfs/dbraw/zinc/59/88/16/431598816.db2.gz HCLYXNPRWJZNCR-UHFFFAOYSA-N 1 1 324.424 3.069 50 30 DGEAMO C[NH+]1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCC3)CC1 ZINC000031809011 431766463 /nfs/dbraw/zinc/76/64/63/431766463.db2.gz 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C[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000025410377 524250014 /nfs/dbraw/zinc/25/00/14/524250014.db2.gz BIVUSGNIUAJNQH-HNNXBMFYSA-N 1 1 319.408 3.138 50 30 DGEAMO C[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000025410377 524250025 /nfs/dbraw/zinc/25/00/25/524250025.db2.gz BIVUSGNIUAJNQH-HNNXBMFYSA-N 1 1 319.408 3.138 50 30 DGEAMO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021822274 526235389 /nfs/dbraw/zinc/23/53/89/526235389.db2.gz GDUJMGMGOGAWPE-INIZCTEOSA-N 1 1 315.461 3.092 50 30 DGEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000215015072 546260577 /nfs/dbraw/zinc/26/05/77/546260577.db2.gz MXVDXAIGLXXAOJ-LJQANCHMSA-N 1 1 307.397 3.134 50 30 DGEAMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000215015072 546260581 /nfs/dbraw/zinc/26/05/81/546260581.db2.gz MXVDXAIGLXXAOJ-LJQANCHMSA-N 1 1 307.397 3.134 50 30 DGEAMO N#Cc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)ccc1F ZINC000089952657 185271584 /nfs/dbraw/zinc/27/15/84/185271584.db2.gz 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181051600 /nfs/dbraw/zinc/05/16/00/181051600.db2.gz SRFCUPVBYYAMIL-NJSLBKSFSA-N 1 1 322.408 3.323 50 30 DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2C(=O)c1ccnc2ccc(OC)cc21 ZINC000003875575 181051602 /nfs/dbraw/zinc/05/16/02/181051602.db2.gz SRFCUPVBYYAMIL-NJSLBKSFSA-N 1 1 322.408 3.323 50 30 DGEAMO N#Cc1ccnc(N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c1 ZINC000092065207 193151009 /nfs/dbraw/zinc/15/10/09/193151009.db2.gz DREGJQSGEJJJAF-RTBURBONSA-N 1 1 318.424 3.054 50 30 DGEAMO N#Cc1cccc(N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)n1 ZINC000095381322 193440001 /nfs/dbraw/zinc/44/00/01/193440001.db2.gz LDJBGGWSTGFNOO-IEBWSBKVSA-N 1 1 318.424 3.054 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3C)CC2)cc1 ZINC000019791037 182149370 /nfs/dbraw/zinc/14/93/70/182149370.db2.gz QHNZTHYPZRSUQC-RCCKNPSSSA-N 1 1 307.441 3.455 50 30 DGEAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000110646532 194345795 /nfs/dbraw/zinc/34/57/95/194345795.db2.gz GMAUTBLCPQHLID-HZPDHXFCSA-N 1 1 317.458 3.103 50 30 DGEAMO C[C@H](c1ccc2ccccc2c1)[N@@H+](CC(=O)NCCC#N)C1CC1 ZINC000058201646 184087147 /nfs/dbraw/zinc/08/71/47/184087147.db2.gz DTADWQIZDNUIAI-OAHLLOKOSA-N 1 1 321.424 3.395 50 30 DGEAMO CC(C)(C#CC[N@@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000055236087 278255731 /nfs/dbraw/zinc/25/57/31/278255731.db2.gz SFMQKOYHBQZMFL-SFHVURJKSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO CC(C)(C#CC[N@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000055236087 278255733 /nfs/dbraw/zinc/25/57/33/278255733.db2.gz SFMQKOYHBQZMFL-SFHVURJKSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000002893868 431276462 /nfs/dbraw/zinc/27/64/62/431276462.db2.gz OHOMNOQXIKBNGR-INIZCTEOSA-N 1 1 303.402 3.027 50 30 DGEAMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000007811459 431365769 /nfs/dbraw/zinc/36/57/69/431365769.db2.gz OLBTZXFWULYLTM-RYUDHWBXSA-N 1 1 305.809 3.128 50 30 DGEAMO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1sccc1C#N ZINC000009496136 431437996 /nfs/dbraw/zinc/43/79/96/431437996.db2.gz 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/nfs/dbraw/zinc/79/45/91/431794591.db2.gz UYNYSGKTAYEWSR-MNOVXSKESA-N 1 1 317.389 3.437 50 30 DGEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2c(C)cccc2OC)C[C@H]1C ZINC000096166044 431940995 /nfs/dbraw/zinc/94/09/95/431940995.db2.gz CTCMLDKWKOCEDP-HUUCEWRRSA-N 1 1 317.433 3.116 50 30 DGEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)Nc2c(C)cccc2OC)C[C@H]1C ZINC000096166044 431940997 /nfs/dbraw/zinc/94/09/97/431940997.db2.gz CTCMLDKWKOCEDP-HUUCEWRRSA-N 1 1 317.433 3.116 50 30 DGEAMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000184974515 432451363 /nfs/dbraw/zinc/45/13/63/432451363.db2.gz POEIMDCFXPHXSX-ZDUSSCGKSA-N 1 1 301.415 3.092 50 30 DGEAMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCCC(=O)NC(N)=O)C2)cc1 ZINC000328587685 434285158 /nfs/dbraw/zinc/28/51/58/434285158.db2.gz FENXAFKHGBYQNH-DZGCQCFKSA-N 1 1 303.406 3.402 50 30 DGEAMO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411974816 434849858 /nfs/dbraw/zinc/84/98/58/434849858.db2.gz AWLIYOJDFLOTKN-HXUWFJFHSA-N 1 1 318.376 3.168 50 30 DGEAMO N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411974816 434849860 /nfs/dbraw/zinc/84/98/60/434849860.db2.gz AWLIYOJDFLOTKN-HXUWFJFHSA-N 1 1 318.376 3.168 50 30 DGEAMO C[N@H+]1CCCC[C@@H]1CCN1CCC(C#N)(c2ccccc2)CC1 ZINC000299773967 334258054 /nfs/dbraw/zinc/25/80/54/334258054.db2.gz HAWKMFCJENWZET-LJQANCHMSA-N 1 1 311.473 3.418 50 30 DGEAMO C=CCc1cccc(Cl)c1OCCCCN1CC[NH+](C)CC1 ZINC000020653257 519142434 /nfs/dbraw/zinc/14/24/34/519142434.db2.gz MUDSLXWNGAQEOJ-UHFFFAOYSA-N 1 1 322.880 3.475 50 30 DGEAMO CC#CC[N@H+]1CCC=C(CCNC(=O)c2ccccc2Cl)C1 ZINC000065404760 519341987 /nfs/dbraw/zinc/34/19/87/519341987.db2.gz YZQMQJQJUJWKEQ-UHFFFAOYSA-N 1 1 316.832 3.115 50 30 DGEAMO CN1CC[N@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000083881721 192389251 /nfs/dbraw/zinc/38/92/51/192389251.db2.gz MYAILPMHALGENR-UHFFFAOYSA-N 1 1 316.408 3.263 50 30 DGEAMO CN1CC[N@@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000083881721 192389252 /nfs/dbraw/zinc/38/92/52/192389252.db2.gz MYAILPMHALGENR-UHFFFAOYSA-N 1 1 316.408 3.263 50 30 DGEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000072253582 191087335 /nfs/dbraw/zinc/08/73/35/191087335.db2.gz CIKYHMLYWZLCFF-GOSISDBHSA-N 1 1 324.428 3.125 50 30 DGEAMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)cc(C#N)n1C ZINC000072457045 191173296 /nfs/dbraw/zinc/17/32/96/191173296.db2.gz FYBSOIBWPCMKPG-QGZVFWFLSA-N 1 1 321.424 3.300 50 30 DGEAMO CC[NH+]1CCN(c2oc(-c3ccc(Cl)cc3)nc2C#N)CC1 ZINC000004981969 181183809 /nfs/dbraw/zinc/18/38/09/181183809.db2.gz ZDXBBONMLDHFLR-UHFFFAOYSA-N 1 1 316.792 3.009 50 30 DGEAMO COc1ccc(/C=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000019826039 182154119 /nfs/dbraw/zinc/15/41/19/182154119.db2.gz VMMKRDFBJUXBLJ-QNGOZBTKSA-N 1 1 323.440 3.155 50 30 DGEAMO C#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000023717547 182367422 /nfs/dbraw/zinc/36/74/22/182367422.db2.gz BBVUFAAPESADLL-HXUWFJFHSA-N 1 1 307.393 3.285 50 30 DGEAMO C#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000023717547 182367424 /nfs/dbraw/zinc/36/74/24/182367424.db2.gz BBVUFAAPESADLL-HXUWFJFHSA-N 1 1 307.393 3.285 50 30 DGEAMO CC1(C)Cc2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2)N1 ZINC000004860421 431302866 /nfs/dbraw/zinc/30/28/66/431302866.db2.gz HEJLKOQAQRXIKE-UHFFFAOYSA-N 1 1 310.357 3.293 50 30 DGEAMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000008152901 431382450 /nfs/dbraw/zinc/38/24/50/431382450.db2.gz XDOYYULHZPWGNR-UHFFFAOYSA-N 1 1 307.397 3.246 50 30 DGEAMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000008152901 431382457 /nfs/dbraw/zinc/38/24/57/431382457.db2.gz XDOYYULHZPWGNR-UHFFFAOYSA-N 1 1 307.397 3.246 50 30 DGEAMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCCC1 ZINC000008142315 431382714 /nfs/dbraw/zinc/38/27/14/431382714.db2.gz DPCSMBJVXHCQMR-GFCCVEGCSA-N 1 1 317.458 3.311 50 30 DGEAMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCCC1 ZINC000008142314 431383165 /nfs/dbraw/zinc/38/31/65/431383165.db2.gz DPCSMBJVXHCQMR-LBPRGKRZSA-N 1 1 317.458 3.311 50 30 DGEAMO C[C@H](C(=O)N(C)C1(C#N)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000008755885 431410912 /nfs/dbraw/zinc/41/09/12/431410912.db2.gz IJDWJUGPXRADCB-MRXNPFEDSA-N 1 1 313.445 3.192 50 30 DGEAMO N#Cc1ccccc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000028170651 431700105 /nfs/dbraw/zinc/70/01/05/431700105.db2.gz ZCGQARZHQUMASS-UHFFFAOYSA-N 1 1 323.415 3.405 50 30 DGEAMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000029482715 431724702 /nfs/dbraw/zinc/72/47/02/431724702.db2.gz UHQFARDEUURQOO-SFHVURJKSA-N 1 1 305.381 3.116 50 30 DGEAMO N#Cc1ccc(C(=O)c2ccccc2C[NH+]2CCSCC2)cc1 ZINC000085651637 431841359 /nfs/dbraw/zinc/84/13/59/431841359.db2.gz UTABLOYIIQKJKF-UHFFFAOYSA-N 1 1 322.433 3.338 50 30 DGEAMO N#Cc1cccc(CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000096403993 431945805 /nfs/dbraw/zinc/94/58/05/431945805.db2.gz CKADLNIWGLDUCP-OAQYLSRUSA-N 1 1 319.452 3.212 50 30 DGEAMO N#Cc1cccc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000096403993 431945807 /nfs/dbraw/zinc/94/58/07/431945807.db2.gz CKADLNIWGLDUCP-OAQYLSRUSA-N 1 1 319.452 3.212 50 30 DGEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1c(F)cccc1F ZINC000051322620 431950705 /nfs/dbraw/zinc/95/07/05/431950705.db2.gz BCUAVSOLNGHVSU-MRXNPFEDSA-N 1 1 302.324 3.002 50 30 DGEAMO Cc1csc(C[N@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000096476119 431951906 /nfs/dbraw/zinc/95/19/06/431951906.db2.gz QHAZPCHHFWQBSC-UHFFFAOYSA-N 1 1 301.415 3.224 50 30 DGEAMO Cc1csc(C[N@@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000096476119 431951908 /nfs/dbraw/zinc/95/19/08/431951908.db2.gz QHAZPCHHFWQBSC-UHFFFAOYSA-N 1 1 301.415 3.224 50 30 DGEAMO C[N@H+](Cc1ccc(C#N)cc1Br)CC1CCOCC1 ZINC000097047186 431957692 /nfs/dbraw/zinc/95/76/92/431957692.db2.gz FVKSKUYFKFKYRS-UHFFFAOYSA-N 1 1 323.234 3.179 50 30 DGEAMO C=CCn1cc(C[N@H+](Cc2ccsc2)[C@@H](CC)CO)c(C)n1 ZINC000055386548 431981093 /nfs/dbraw/zinc/98/10/93/431981093.db2.gz TVVKSARWAPTUTB-KRWDZBQOSA-N 1 1 319.474 3.212 50 30 DGEAMO Cc1cccc(C(=[NH2+])NOC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004725314 281188846 /nfs/dbraw/zinc/18/88/46/281188846.db2.gz NCNCRHBAHDSGJG-UHFFFAOYSA-N 1 1 312.413 3.375 50 30 DGEAMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000242273508 432818296 /nfs/dbraw/zinc/81/82/96/432818296.db2.gz YDFUSFAXXTWTHM-BRWVUGGUSA-N 1 1 317.477 3.324 50 30 DGEAMO N#C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000244724228 432822822 /nfs/dbraw/zinc/82/28/22/432822822.db2.gz MQFTZOKKNKDKQD-LLVKDONJSA-N 1 1 309.772 3.043 50 30 DGEAMO N#C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000244724228 432822823 /nfs/dbraw/zinc/82/28/23/432822823.db2.gz MQFTZOKKNKDKQD-LLVKDONJSA-N 1 1 309.772 3.043 50 30 DGEAMO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411974807 434849129 /nfs/dbraw/zinc/84/91/29/434849129.db2.gz AWLIYOJDFLOTKN-FQEVSTJZSA-N 1 1 318.376 3.168 50 30 DGEAMO N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411974807 434849132 /nfs/dbraw/zinc/84/91/32/434849132.db2.gz AWLIYOJDFLOTKN-FQEVSTJZSA-N 1 1 318.376 3.168 50 30 DGEAMO C=CCCC(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012573715 518697025 /nfs/dbraw/zinc/69/70/25/518697025.db2.gz UFBMQGOQJRQUTO-SFHVURJKSA-N 1 1 300.446 3.166 50 30 DGEAMO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1ccc(C#N)nc1 ZINC000067688645 518721564 /nfs/dbraw/zinc/72/15/64/518721564.db2.gz XGSVXCBHXORPED-LJQANCHMSA-N 1 1 322.412 3.194 50 30 DGEAMO C=CCc1cc(C)c(OCCCCN2CC[NH+](C)CC2)c(C)c1 ZINC000020639776 519129535 /nfs/dbraw/zinc/12/95/35/519129535.db2.gz RRSNHTPVUJMQBG-UHFFFAOYSA-N 1 1 316.489 3.438 50 30 DGEAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C)c2)C1 ZINC000082138146 521298944 /nfs/dbraw/zinc/29/89/44/521298944.db2.gz NSJXBABFOYQLBM-HNNXBMFYSA-N 1 1 318.417 3.248 50 30 DGEAMO Cc1ccsc1C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C(C)C ZINC000058134893 525842101 /nfs/dbraw/zinc/84/21/01/525842101.db2.gz IJXKRUJYCBXINO-QGZVFWFLSA-N 1 1 319.474 3.075 50 30 DGEAMO C=CCC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000091508078 545836807 /nfs/dbraw/zinc/83/68/07/545836807.db2.gz VDRFELKKSCHGSL-AWEZNQCLSA-N 1 1 317.433 3.260 50 30 DGEAMO C=CCC1(CC=C)CCC[N@H+]1Cc1nc(-c2cnccn2)no1 ZINC000012716553 657573046 /nfs/dbraw/zinc/57/30/46/657573046.db2.gz BYIJCALUEUPVKK-UHFFFAOYSA-N 1 1 311.389 3.013 50 30 DGEAMO OCC#Cc1csc(C[N@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000828644684 1091838220 /nfs/dbraw/zinc/83/82/20/1091838220.db2.gz ZKGRYDZNQICLKT-SFHVURJKSA-N 1 1 312.438 3.214 50 30 DGEAMO C=CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(OC)c1 ZINC000036100366 119368734 /nfs/dbraw/zinc/36/87/34/119368734.db2.gz IYBZGFWLQKOJMY-GOSISDBHSA-N 1 1 321.461 3.107 50 30 DGEAMO N#Cc1ccc(F)c(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000095444982 185367333 /nfs/dbraw/zinc/36/73/33/185367333.db2.gz LINYSSZDXIRISD-HZPDHXFCSA-N 1 1 320.433 3.184 50 30 DGEAMO CCn1cc(C[N@H+]2CCCN(c3ccccc3C)CC2)cc1C#N ZINC000072152168 191058309 /nfs/dbraw/zinc/05/83/09/191058309.db2.gz HLGMUGJFYKAIHO-UHFFFAOYSA-N 1 1 322.456 3.400 50 30 DGEAMO CCc1ccc(C[N@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000003447862 181021442 /nfs/dbraw/zinc/02/14/42/181021442.db2.gz YUAVBMIBWKHFRG-UHFFFAOYSA-N 1 1 313.426 3.253 50 30 DGEAMO CCc1ccc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000003447862 181021444 /nfs/dbraw/zinc/02/14/44/181021444.db2.gz YUAVBMIBWKHFRG-UHFFFAOYSA-N 1 1 313.426 3.253 50 30 DGEAMO N#Cc1cnc(NC(=O)c2cccc(C[N@@H+]3CC=CCC3)c2)s1 ZINC000067895966 432045864 /nfs/dbraw/zinc/04/58/64/432045864.db2.gz CBBNJMODOPSYNU-UHFFFAOYSA-N 1 1 324.409 3.029 50 30 DGEAMO Cc1[nH+]c2cc3c(cc2n1Cc1ccc(C#N)cc1)OCCO3 ZINC000005265950 181223894 /nfs/dbraw/zinc/22/38/94/181223894.db2.gz QFSUTTMIQWPERX-UHFFFAOYSA-N 1 1 305.337 3.036 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3O)CC2)c(C)c1 ZINC000019791190 182149018 /nfs/dbraw/zinc/14/90/18/182149018.db2.gz FGGHCLKXAKTTDB-KGENOOAVSA-N 1 1 323.440 3.161 50 30 DGEAMO Cc1cccc(NC(=S)NC[C@H](c2cccnc2)[NH+](C)C)c1 ZINC000020234876 182199564 /nfs/dbraw/zinc/19/95/64/182199564.db2.gz FAEPGMOWWWEYCC-MRXNPFEDSA-N 1 1 314.458 3.391 50 30 DGEAMO N#Cc1cccc(CNCc2ccccc2C[NH+]2CCCC2)c1 ZINC000048367112 183651888 /nfs/dbraw/zinc/65/18/88/183651888.db2.gz QNIPUZDRLDDMRU-UHFFFAOYSA-N 1 1 305.425 3.444 50 30 DGEAMO C[N@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1C#N ZINC000065469657 184351031 /nfs/dbraw/zinc/35/10/31/184351031.db2.gz DZLVBGGNNJYCHM-UHFFFAOYSA-N 1 1 302.381 3.376 50 30 DGEAMO C[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccc1C#N ZINC000065469657 184351032 /nfs/dbraw/zinc/35/10/32/184351032.db2.gz DZLVBGGNNJYCHM-UHFFFAOYSA-N 1 1 302.381 3.376 50 30 DGEAMO C=CC[C@@H](CC)NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000252509296 401096155 /nfs/dbraw/zinc/09/61/55/401096155.db2.gz YJWZRVJUCBNXAQ-MRXNPFEDSA-N 1 1 316.449 3.144 50 30 DGEAMO CCn1cc(CN2CCC(C[NH+]3CCCCC3)CC2)cc1C#N ZINC000077299281 431582079 /nfs/dbraw/zinc/58/20/79/431582079.db2.gz REFPYAIQJSLDDF-UHFFFAOYSA-N 1 1 314.477 3.078 50 30 DGEAMO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)C(=O)Nc1sccc1C#N ZINC000032797271 431793667 /nfs/dbraw/zinc/79/36/67/431793667.db2.gz UYNYSGKTAYEWSR-WDEREUQCSA-N 1 1 317.389 3.437 50 30 DGEAMO N#Cc1cccnc1N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091656815 431905232 /nfs/dbraw/zinc/90/52/32/431905232.db2.gz GTXWHZBBXXBGPY-IEBWSBKVSA-N 1 1 318.424 3.054 50 30 DGEAMO C=CC[N@H+]1CC[C@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000055099101 431976230 /nfs/dbraw/zinc/97/62/30/431976230.db2.gz DFSHWFWZSPTAQY-HWWITLHISA-N 1 1 316.489 3.217 50 30 DGEAMO CC(C)C[C@@](C)(O)C#CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055236095 431978435 /nfs/dbraw/zinc/97/84/35/431978435.db2.gz MVLLBTZXHWXQCD-MOPGFXCFSA-N 1 1 300.446 3.409 50 30 DGEAMO CC(C)C[C@@](C)(O)C#CC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055236095 431978438 /nfs/dbraw/zinc/97/84/38/431978438.db2.gz MVLLBTZXHWXQCD-MOPGFXCFSA-N 1 1 300.446 3.409 50 30 DGEAMO C[N@@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000095978622 431930893 /nfs/dbraw/zinc/93/08/93/431930893.db2.gz SZEADQNAHUXGNQ-HOTGVXAUSA-N 1 1 314.339 3.089 50 30 DGEAMO C[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000095978622 431930896 /nfs/dbraw/zinc/93/08/96/431930896.db2.gz SZEADQNAHUXGNQ-HOTGVXAUSA-N 1 1 314.339 3.089 50 30 DGEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1c(F)cccc1F ZINC000051322618 431950976 /nfs/dbraw/zinc/95/09/76/431950976.db2.gz BCUAVSOLNGHVSU-INIZCTEOSA-N 1 1 302.324 3.002 50 30 DGEAMO Cc1cc(C)c(C#N)c(NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000097150698 431963508 /nfs/dbraw/zinc/96/35/08/431963508.db2.gz ZMZNDEMNYLZFGN-UHFFFAOYSA-N 1 1 306.413 3.040 50 30 DGEAMO COc1ccc2[nH]c(CC[N@@H+](C)Cc3cccc(C#N)c3)nc2c1 ZINC000215816504 432645555 /nfs/dbraw/zinc/64/55/55/432645555.db2.gz ACOVOUVYJOOMBM-UHFFFAOYSA-N 1 1 320.396 3.118 50 30 DGEAMO COc1ccc2nc(CC[N@H+](C)Cc3cccc(C#N)c3)[nH]c2c1 ZINC000215816504 432645558 /nfs/dbraw/zinc/64/55/58/432645558.db2.gz ACOVOUVYJOOMBM-UHFFFAOYSA-N 1 1 320.396 3.118 50 30 DGEAMO COc1ccc2nc(CC[N@@H+](C)Cc3cccc(C#N)c3)[nH]c2c1 ZINC000215816504 432645564 /nfs/dbraw/zinc/64/55/64/432645564.db2.gz ACOVOUVYJOOMBM-UHFFFAOYSA-N 1 1 320.396 3.118 50 30 DGEAMO C[C@@H](CC#CC[N@@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000245238621 432825097 /nfs/dbraw/zinc/82/50/97/432825097.db2.gz WUQNJBRYTZCEJM-HKUYNNGSSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO C[C@@H](CC#CC[N@H+]1CCCC[C@H]1c1cccnc1)OCCC#N ZINC000245238621 432825098 /nfs/dbraw/zinc/82/50/98/432825098.db2.gz WUQNJBRYTZCEJM-HKUYNNGSSA-N 1 1 311.429 3.321 50 30 biogenic DGEAMO Cn1cc[nH+]c1N1CCC(NC(=O)c2csc(Cl)c2)CC1 ZINC000328753925 434305434 /nfs/dbraw/zinc/30/54/34/434305434.db2.gz NXFHFRIHIIADGH-UHFFFAOYSA-N 1 1 324.837 3.109 50 30 DGEAMO C=CCN(Cc1cccc(OC)c1)C(=O)[C@H]1CCCCC[N@H+]1C ZINC000055359300 518784972 /nfs/dbraw/zinc/78/49/72/518784972.db2.gz SEYCZHZPTXOQIL-GOSISDBHSA-N 1 1 316.445 3.084 50 30 DGEAMO C=CCc1cc(Cl)ccc1OCCC[NH+]1CCN(CC)CC1 ZINC000020390150 519132033 /nfs/dbraw/zinc/13/20/33/519132033.db2.gz ICSSTEDNZXNWPN-UHFFFAOYSA-N 1 1 322.880 3.475 50 30 DGEAMO COc1ccc(C(=[NH2+])NOC(=O)CC2CCCCC2)cc1OC ZINC000004553347 523536254 /nfs/dbraw/zinc/53/62/54/523536254.db2.gz IARJWTXQXAZPBT-UHFFFAOYSA-N 1 1 320.389 3.047 50 30 DGEAMO CCCCNC(=S)N(C)[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC000254301967 658071241 /nfs/dbraw/zinc/07/12/41/658071241.db2.gz OREPVLOOKLDGJI-UHFFFAOYSA-N 1 1 318.490 3.227 50 30 DGEAMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000105637360 432018805 /nfs/dbraw/zinc/01/88/05/432018805.db2.gz PNOBYZCQKNZJRV-IGCXYCKISA-N 1 1 321.852 3.434 50 30 DGEAMO Cc1c(C[N@H+](C)Cc2ccc(-c3ccccc3C#N)o2)cnn1C ZINC000071753332 191023581 /nfs/dbraw/zinc/02/35/81/191023581.db2.gz HVMGKKKREAVJMV-UHFFFAOYSA-N 1 1 320.396 3.492 50 30 DGEAMO Cc1c(C[N@@H+](C)Cc2ccc(-c3ccccc3C#N)o2)cnn1C ZINC000071753332 191023584 /nfs/dbraw/zinc/02/35/84/191023584.db2.gz HVMGKKKREAVJMV-UHFFFAOYSA-N 1 1 320.396 3.492 50 30 DGEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000003831403 181047599 /nfs/dbraw/zinc/04/75/99/181047599.db2.gz LOUPRKONTZGTKE-FEBSWUBLSA-N 1 1 324.424 3.173 50 30 world DGEAMO CC#CC[N@@H+]1CC=C(c2cnn(Cc3cccc(OC)c3)c2)CC1 ZINC000067756205 432040004 /nfs/dbraw/zinc/04/00/04/432040004.db2.gz FUFVBQGIPPDTKW-UHFFFAOYSA-N 1 1 321.424 3.052 50 30 DGEAMO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000237749051 202346571 /nfs/dbraw/zinc/34/65/71/202346571.db2.gz ISORVXAKJQYEBL-GOSISDBHSA-N 1 1 306.413 3.196 50 30 DGEAMO Cc1ccccc1[C@@](C#N)(CCCN1CC[NH+](C)CC1)C(C)C ZINC000022862081 182337762 /nfs/dbraw/zinc/33/77/62/182337762.db2.gz WBZFOKDFGOKDEL-HXUWFJFHSA-N 1 1 313.489 3.440 50 30 DGEAMO N#Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000023075029 182346323 /nfs/dbraw/zinc/34/63/23/182346323.db2.gz SONUUTWJYAOJOR-MRXNPFEDSA-N 1 1 322.368 3.153 50 30 DGEAMO C#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000023717545 182367256 /nfs/dbraw/zinc/36/72/56/182367256.db2.gz BBVUFAAPESADLL-FQEVSTJZSA-N 1 1 307.393 3.285 50 30 DGEAMO C#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000023717545 182367258 /nfs/dbraw/zinc/36/72/58/182367258.db2.gz BBVUFAAPESADLL-FQEVSTJZSA-N 1 1 307.393 3.285 50 30 DGEAMO C[C@@H]([NH2+]Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)cc1 ZINC000058161416 184082784 /nfs/dbraw/zinc/08/27/84/184082784.db2.gz AVTORZDIURWEKS-GFCCVEGCSA-N 1 1 313.788 3.328 50 30 DGEAMO C[N@@H+](Cc1cn2ccccc2c1C#N)C1Cc2ccccc2C1 ZINC000058355059 184107663 /nfs/dbraw/zinc/10/76/63/184107663.db2.gz ILWZVNXSNLXULV-UHFFFAOYSA-N 1 1 301.393 3.410 50 30 DGEAMO C=CCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000065538660 184363079 /nfs/dbraw/zinc/36/30/79/184363079.db2.gz KSPLPFIFHSWSPJ-OAHLLOKOSA-N 1 1 311.429 3.041 50 30 DGEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000005141311 400086359 /nfs/dbraw/zinc/08/63/59/400086359.db2.gz LOUPRKONTZGTKE-ITHTXLDVSA-N 1 1 324.424 3.173 50 30 world DGEAMO N#CCc1ccc(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000247702097 401061096 /nfs/dbraw/zinc/06/10/96/401061096.db2.gz AOUINLGHNFSYKA-SJORKVTESA-N 1 1 311.429 3.203 50 30 DGEAMO C=CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)cc1CC=C ZINC000102876613 431999430 /nfs/dbraw/zinc/99/94/30/431999430.db2.gz FYJZUEJEBCQFNY-BWTSREIZSA-N 1 1 313.441 3.468 50 30 DGEAMO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239321982 432814794 /nfs/dbraw/zinc/81/47/94/432814794.db2.gz IZMZXISIJWRYSS-JSGCOSHPSA-N 1 1 303.431 3.070 50 30 DGEAMO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239321982 432814799 /nfs/dbraw/zinc/81/47/99/432814799.db2.gz IZMZXISIJWRYSS-JSGCOSHPSA-N 1 1 303.431 3.070 50 30 DGEAMO CCCCCCCC(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000408517281 434583550 /nfs/dbraw/zinc/58/35/50/434583550.db2.gz FMUKPCDQHOLKMZ-MRXNPFEDSA-N 1 1 310.482 3.059 50 30 DGEAMO C=CC[N@H+](Cc1ccccn1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000067774716 518788178 /nfs/dbraw/zinc/78/81/78/518788178.db2.gz KXWNHIRJMWXELX-UHFFFAOYSA-N 1 1 319.408 3.420 50 30 DGEAMO C=CC[N@@H+](Cc1ccccn1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000067774716 518788190 /nfs/dbraw/zinc/78/81/90/518788190.db2.gz KXWNHIRJMWXELX-UHFFFAOYSA-N 1 1 319.408 3.420 50 30 DGEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(C)o1)Cc1ccccc1 ZINC000036097687 518993473 /nfs/dbraw/zinc/99/34/73/518993473.db2.gz UMHZQEFQOLIGTO-GOSISDBHSA-N 1 1 315.413 3.154 50 30 DGEAMO CCOc1ccccc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019848769 521447638 /nfs/dbraw/zinc/44/76/38/521447638.db2.gz CSOCDXBNNWJKLT-LTGZKZEYSA-N 1 1 323.440 3.237 50 30 DGEAMO C[C@]1(C#N)CCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1 ZINC000670450245 547755716 /nfs/dbraw/zinc/75/57/16/547755716.db2.gz ZZELGSZGTGFHKO-GOSISDBHSA-N 1 1 301.409 3.420 50 30 DGEAMO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCc3sccc3C2)s1 ZINC000670463647 547758192 /nfs/dbraw/zinc/75/81/92/547758192.db2.gz ZTNPBBPSJCRABE-UHFFFAOYSA-N 1 1 317.479 3.490 50 30 DGEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCc3sccc3C2)s1 ZINC000670463647 547758195 /nfs/dbraw/zinc/75/81/95/547758195.db2.gz ZTNPBBPSJCRABE-UHFFFAOYSA-N 1 1 317.479 3.490 50 30 DGEAMO N#Cc1nccnc1NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001506419709 1186225763 /nfs/dbraw/zinc/22/57/63/1186225763.db2.gz VNQCBXNPPGTEDK-KRWDZBQOSA-N 1 1 321.428 3.205 50 30 DGEAMO C=C(C)COc1ccccc1NC(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000820530606 1091625855 /nfs/dbraw/zinc/62/58/55/1091625855.db2.gz APSZCCSMPSILHG-INIZCTEOSA-N 1 1 302.418 3.454 50 30 DGEAMO C=CCN(Cc1ccc(C)s1)C(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000952960926 1096789169 /nfs/dbraw/zinc/78/91/69/1096789169.db2.gz LVGPDFOOGOIPAG-HNNXBMFYSA-N 1 1 306.475 3.446 50 30 DGEAMO CCc1ccc(-c2c(C#N)c(N)nc3c2C[N@H+](C(C)C)CC3)o1 ZINC000072153507 191057741 /nfs/dbraw/zinc/05/77/41/191057741.db2.gz INPBPCULEVRVNL-UHFFFAOYSA-N 1 1 310.401 3.124 50 30 DGEAMO Clc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019419373 182122705 /nfs/dbraw/zinc/12/27/05/182122705.db2.gz FPOJNXYBFPHMSF-XSFVSMFZSA-N 1 1 313.832 3.492 50 30 DGEAMO Cc1ccc(/C=N\N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000019773126 182144999 /nfs/dbraw/zinc/14/49/99/182144999.db2.gz RCSVJHSYNIWUMP-QNGOZBTKSA-N 1 1 307.441 3.455 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(F)cc3)CC2)cc1 ZINC000020171061 182194642 /nfs/dbraw/zinc/19/46/42/182194642.db2.gz JSFJSPDHLOVZJE-KGENOOAVSA-N 1 1 311.404 3.286 50 30 DGEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3F)CC2)cc1 ZINC000020189727 182195484 /nfs/dbraw/zinc/19/54/84/182195484.db2.gz MXQQJDDRPFKJMF-KGENOOAVSA-N 1 1 311.404 3.286 50 30 DGEAMO CN1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000020229051 182199285 /nfs/dbraw/zinc/19/92/85/182199285.db2.gz IBKOFEBLTIVRPC-UHFFFAOYSA-N 1 1 319.452 3.134 50 30 DGEAMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000061758712 184186453 /nfs/dbraw/zinc/18/64/53/184186453.db2.gz WGNRFZSMIKBTCL-UHFFFAOYSA-N 1 1 317.389 3.152 50 30 DGEAMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000061758712 184186455 /nfs/dbraw/zinc/18/64/55/184186455.db2.gz WGNRFZSMIKBTCL-UHFFFAOYSA-N 1 1 317.389 3.152 50 30 DGEAMO CS[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000072776982 400403173 /nfs/dbraw/zinc/40/31/73/400403173.db2.gz FALMGYAFFSLWQA-GJZGRUSLSA-N 1 1 317.458 3.103 50 30 DGEAMO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)n1 ZINC000070009796 431235321 /nfs/dbraw/zinc/23/53/21/431235321.db2.gz IUZLBVWUTNEIRA-GOSISDBHSA-N 1 1 312.392 3.175 50 30 DGEAMO Cc1cc(C)n(C[C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)n1 ZINC000070009796 431235326 /nfs/dbraw/zinc/23/53/26/431235326.db2.gz IUZLBVWUTNEIRA-GOSISDBHSA-N 1 1 312.392 3.175 50 30 DGEAMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000071876635 431304916 /nfs/dbraw/zinc/30/49/16/431304916.db2.gz QEJVQSJKDGZVJQ-GOSISDBHSA-N 1 1 324.428 3.125 50 30 DGEAMO COc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000007418972 431345417 /nfs/dbraw/zinc/34/54/17/431345417.db2.gz CFAFBAVUFUORHF-CQSZACIVSA-N 1 1 323.396 3.026 50 30 DGEAMO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000007418972 431345424 /nfs/dbraw/zinc/34/54/24/431345424.db2.gz CFAFBAVUFUORHF-CQSZACIVSA-N 1 1 323.396 3.026 50 30 DGEAMO C[NH+]1CCN(c2ccc(C(=O)/C=C/c3ccccc3F)cc2)CC1 ZINC000009154089 431424406 /nfs/dbraw/zinc/42/44/06/431424406.db2.gz YGQUEUBTGQMPJH-DHZHZOJOSA-N 1 1 324.399 3.474 50 30 DGEAMO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000016429938 431612771 /nfs/dbraw/zinc/61/27/71/431612771.db2.gz BETPYDRTCXSCLA-UHFFFAOYSA-N 1 1 316.408 3.435 50 30 DGEAMO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000016429938 431612777 /nfs/dbraw/zinc/61/27/77/431612777.db2.gz BETPYDRTCXSCLA-UHFFFAOYSA-N 1 1 316.408 3.435 50 30 DGEAMO Cc1ccccc1[C@](C#N)(CCCN1CC[NH+](C)CC1)C(C)C ZINC000022575391 431635641 /nfs/dbraw/zinc/63/56/41/431635641.db2.gz WBZFOKDFGOKDEL-FQEVSTJZSA-N 1 1 313.489 3.440 50 30 DGEAMO CC[C@@H](C)[N@@H+](CC#Cc1ccccc1)Cc1cnc2nccn2c1 ZINC000055211252 431978464 /nfs/dbraw/zinc/97/84/64/431978464.db2.gz HPJRIOMVGXDNNB-QGZVFWFLSA-N 1 1 318.424 3.382 50 30 DGEAMO CC[C@H](CO)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000055271319 431979111 /nfs/dbraw/zinc/97/91/11/431979111.db2.gz BOWBLDSQDMJOSQ-LJQANCHMSA-N 1 1 312.388 3.470 50 30 DGEAMO N#Cc1cccc(CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000096403994 431945405 /nfs/dbraw/zinc/94/54/05/431945405.db2.gz CKADLNIWGLDUCP-NRFANRHFSA-N 1 1 319.452 3.212 50 30 DGEAMO N#Cc1cccc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000096403994 431945407 /nfs/dbraw/zinc/94/54/07/431945407.db2.gz CKADLNIWGLDUCP-NRFANRHFSA-N 1 1 319.452 3.212 50 30 DGEAMO Cc1cc([C@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)on1 ZINC000052010716 431954031 /nfs/dbraw/zinc/95/40/31/431954031.db2.gz QKVBIBSKUKHVTG-QGZVFWFLSA-N 1 1 311.385 3.461 50 30 DGEAMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)c(Br)c1 ZINC000096496391 431954414 /nfs/dbraw/zinc/95/44/14/431954414.db2.gz QKMGVNDXEOUCNN-AWEZNQCLSA-N 1 1 323.234 3.058 50 30 DGEAMO C=C(C)CN(C)C(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000096497038 431954461 /nfs/dbraw/zinc/95/44/61/431954461.db2.gz CCYGJWAUVXVKBF-WMZOPIPTSA-N 1 1 315.461 3.115 50 30 DGEAMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCCC(=O)NC(N)=O)C2)cc1 ZINC000328587686 281004871 /nfs/dbraw/zinc/00/48/71/281004871.db2.gz FENXAFKHGBYQNH-HIFRSBDPSA-N 1 1 303.406 3.402 50 30 DGEAMO C[N@@H+](CCn1cccn1)Cc1ccc(-c2ccccc2C#N)o1 ZINC000215945814 432647559 /nfs/dbraw/zinc/64/75/59/432647559.db2.gz JAFZXFJWLOCTFN-UHFFFAOYSA-N 1 1 306.369 3.147 50 30 DGEAMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000242273509 432818039 /nfs/dbraw/zinc/81/80/39/432818039.db2.gz YDFUSFAXXTWTHM-IXDOHACOSA-N 1 1 317.477 3.324 50 30 DGEAMO CCCCCCCC(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000408517280 434584068 /nfs/dbraw/zinc/58/40/68/434584068.db2.gz FMUKPCDQHOLKMZ-INIZCTEOSA-N 1 1 310.482 3.059 50 30 DGEAMO C=C(C)COc1ccc(C(=O)N(C)C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000055393473 518613674 /nfs/dbraw/zinc/61/36/74/518613674.db2.gz PZYNYXXIDKEJFR-KRWDZBQOSA-N 1 1 316.445 3.198 50 30 DGEAMO C=CCN(CCSc1ccccc1)C(=O)[C@H]1CC[N@H+](CC)C1 ZINC000055270585 518774397 /nfs/dbraw/zinc/77/43/97/518774397.db2.gz JGLIZSNHHMVUDJ-INIZCTEOSA-N 1 1 318.486 3.135 50 30 DGEAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C)c2)C1 ZINC000082138145 521112905 /nfs/dbraw/zinc/11/29/05/521112905.db2.gz NSJXBABFOYQLBM-OAHLLOKOSA-N 1 1 318.417 3.248 50 30 DGEAMO [NH2+]=C(NOC(=O)CSc1ccccc1)c1ccc(Cl)cc1 ZINC000004985984 526809224 /nfs/dbraw/zinc/80/92/24/526809224.db2.gz YTWCFDREYZEJNX-UHFFFAOYSA-N 1 1 320.801 3.296 50 30 DGEAMO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CN(C(C)C)C[C@H]2C)c(O)c1 ZINC000255273919 659021902 /nfs/dbraw/zinc/02/19/02/659021902.db2.gz UTJCCVZLJRITEY-CSXOVNKWSA-N 1 1 317.477 3.386 50 30 DGEAMO